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 1t7c_1_C DATA FIRST_RESID 1 DATA SEQUENCE cGVPAIQPVL SXXXXIVNGE EAVPGSWPWQ VSLQDKTGFH FcGGSLINEN DATA SEQUENCE WVVTAAHcGV TTSDVVVAGE FDQGSSSEKI QKLKIAKVFK NSKYNSLTIN DATA SEQUENCE NDITLLKLST AASFSQTVSA VcLPSASDDF AAGTTcVTTG WGLTRYXXAN DATA SEQUENCE TPDRLQQASL PLLSNTNcKK YWGTKIKDAM IcAGASGVSS cMGDSGGPLV DATA SEQUENCE cKKNGAWTLV GIVSWGSSTc STSTPGVYAR VTALVNWVQQ TLAAN VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 c HA 0.000 nan 4.570 nan 0.000 0.325 1 c C 0.000 174.158 174.090 0.114 0.000 1.270 1 c CA 0.000 56.404 56.329 0.126 0.000 1.963 1 c CB 0.000 42.556 42.510 0.076 0.000 2.134 2 G N 0.147 109.008 108.800 0.102 0.000 2.186 2 G HA2 -0.095 3.869 3.960 0.006 0.000 0.266 2 G HA3 -0.095 3.869 3.960 0.006 0.000 0.266 2 G C -0.139 175.012 174.900 0.418 0.000 0.982 2 G CA 0.589 45.785 45.100 0.160 0.000 0.670 2 G HN 2.031 nan 8.290 nan 0.000 0.533 3 V N 1.393 121.525 119.914 0.363 0.000 2.327 3 V HA 0.358 4.482 4.120 0.006 0.000 0.272 3 V C -1.728 174.506 176.094 0.233 0.000 1.019 3 V CA -1.547 60.928 62.300 0.292 0.000 0.814 3 V CB 1.474 33.391 31.823 0.157 0.000 1.040 3 V HN 0.140 nan 8.190 nan 0.000 0.440 4 P HA 0.175 nan 4.420 nan 0.000 0.265 4 P C 0.914 178.191 177.300 -0.037 0.000 1.193 4 P CA 0.087 63.178 63.100 -0.014 0.000 0.765 4 P CB 1.109 32.673 31.700 -0.227 0.000 0.823 5 A N 3.704 126.483 122.820 -0.067 0.000 1.968 5 A HA -0.018 4.305 4.320 0.006 0.000 0.217 5 A C 0.963 178.492 177.584 -0.091 0.000 1.169 5 A CA 0.986 52.990 52.037 -0.055 0.000 0.638 5 A CB -0.581 18.388 19.000 -0.051 0.000 0.812 5 A HN 0.557 nan 8.150 nan 0.000 0.446 6 I N 0.622 121.099 120.570 -0.154 0.000 2.337 6 I HA 0.132 4.305 4.170 0.006 0.000 0.285 6 I C 0.093 176.061 176.117 -0.248 0.000 1.041 6 I CA -0.354 60.831 61.300 -0.191 0.000 1.199 6 I CB 1.247 39.108 38.000 -0.231 0.000 1.370 6 I HN 0.307 nan 8.210 nan 0.000 0.470 7 Q N 8.517 128.211 119.800 -0.177 0.000 2.263 7 Q HA 0.129 4.472 4.340 0.006 0.000 0.289 7 Q C -2.065 173.771 176.000 -0.273 0.000 1.061 7 Q CA -1.248 54.452 55.803 -0.171 0.000 0.927 7 Q CB 0.755 29.448 28.738 -0.076 0.000 1.154 7 Q HN 0.320 nan 8.270 nan 0.000 0.378 8 P HA 0.024 nan 4.420 nan 0.000 0.272 8 P C -1.088 176.094 177.300 -0.198 0.000 1.223 8 P CA -0.148 62.626 63.100 -0.545 0.000 0.784 8 P CB 0.904 31.897 31.700 -1.178 0.000 0.923 9 V N 3.949 123.787 119.914 -0.127 0.000 2.334 9 V HA 0.270 4.394 4.120 0.006 0.000 0.281 9 V C 0.790 176.912 176.094 0.046 0.000 1.016 9 V CA -0.417 61.868 62.300 -0.025 0.000 0.832 9 V CB 0.882 32.681 31.823 -0.039 0.000 0.999 9 V HN 0.419 nan 8.190 nan 0.000 0.439 10 L N 2.633 123.910 121.223 0.091 0.000 2.687 10 L HA 0.720 5.063 4.340 0.006 0.000 0.252 10 L C 0.498 177.416 176.870 0.080 0.000 1.115 10 L CA -0.471 54.442 54.840 0.121 0.000 0.893 10 L CB 1.344 43.513 42.059 0.183 0.000 1.670 10 L HN 0.561 nan 8.230 nan 0.000 0.531 17 V N 5.863 125.786 119.914 0.014 0.000 2.432 17 V HA 0.301 4.425 4.120 0.006 0.000 0.275 17 V C 0.862 176.962 176.094 0.010 0.000 1.043 17 V CA -0.034 62.279 62.300 0.022 0.000 0.925 17 V CB 1.200 33.046 31.823 0.038 0.000 0.985 17 V HN 0.964 nan 8.190 nan 0.000 0.466 18 N N 3.000 121.706 118.700 0.010 0.000 2.747 18 N HA -0.146 4.597 4.740 0.006 0.000 0.249 18 N C 0.294 175.804 175.510 -0.001 0.000 1.107 18 N CA 1.082 54.136 53.050 0.006 0.000 0.707 18 N CB -0.900 37.592 38.487 0.008 0.000 1.054 18 N HN 0.983 nan 8.380 nan 0.000 0.555 19 G N -0.640 108.154 108.800 -0.010 0.000 2.695 19 G HA2 0.596 4.560 3.960 0.006 0.000 0.213 19 G HA3 0.596 4.560 3.960 0.006 0.000 0.213 19 G C -0.419 174.475 174.900 -0.009 0.000 1.406 19 G CA 0.117 45.206 45.100 -0.019 0.000 1.049 19 G HN 0.440 nan 8.290 nan 0.000 0.573 20 E N -0.518 119.677 120.200 -0.010 0.000 2.408 20 E HA 0.310 4.663 4.350 0.006 0.000 0.275 20 E C -1.184 175.425 176.600 0.014 0.000 0.935 20 E CA -0.791 55.614 56.400 0.009 0.000 0.775 20 E CB 1.811 31.525 29.700 0.024 0.000 1.277 20 E HN 0.477 nan 8.360 nan 0.000 0.455 21 E N 0.772 120.994 120.200 0.036 0.000 2.376 21 E HA 0.360 4.714 4.350 0.006 0.000 0.266 21 E C -0.565 176.106 176.600 0.118 0.000 1.009 21 E CA -0.214 56.231 56.400 0.074 0.000 0.902 21 E CB 0.744 30.508 29.700 0.108 0.000 0.972 21 E HN 0.558 nan 8.360 nan 0.000 0.439 22 A N 3.658 126.584 122.820 0.177 0.000 2.304 22 A HA 0.273 4.596 4.320 0.006 0.000 0.271 22 A C -0.305 177.334 177.584 0.091 0.000 1.091 22 A CA -0.659 51.493 52.037 0.192 0.000 0.812 22 A CB 0.883 20.065 19.000 0.303 0.000 1.056 22 A HN 0.517 nan 8.150 nan 0.000 0.489 23 V N 2.947 122.806 119.914 -0.091 0.000 2.572 23 V HA 0.130 4.253 4.120 0.006 0.000 0.291 23 V C -2.016 173.825 176.094 -0.421 0.000 1.039 23 V CA -0.774 61.375 62.300 -0.251 0.000 1.055 23 V CB 0.612 32.279 31.823 -0.261 0.000 0.969 23 V HN 0.734 nan 8.190 nan 0.000 0.482 24 P HA 0.111 nan 4.420 nan 0.000 0.260 24 P C 0.933 177.958 177.300 -0.457 0.000 1.185 24 P CA 1.538 64.034 63.100 -1.007 0.000 0.763 24 P CB 0.280 31.317 31.700 -1.105 0.000 0.776 25 G N 3.048 111.683 108.800 -0.275 0.000 2.184 25 G HA2 -0.319 3.644 3.960 0.006 0.000 0.264 25 G HA3 -0.319 3.644 3.960 0.006 0.000 0.264 25 G C 1.079 175.769 174.900 -0.350 0.000 0.975 25 G CA 0.567 45.532 45.100 -0.226 0.000 0.642 25 G HN 0.590 nan 8.290 nan 0.000 0.536 26 S N -1.778 113.629 115.700 -0.488 0.000 2.561 26 S HA 0.173 4.647 4.470 0.006 0.000 0.225 26 S C 0.665 174.537 174.600 -1.212 0.000 0.977 26 S CA 0.664 58.390 58.200 -0.789 0.000 0.926 26 S CB -0.268 62.406 63.200 -0.877 0.000 0.769 26 S HN 0.649 nan 8.310 nan 0.000 0.533 27 W N 2.132 123.060 121.300 -0.620 0.000 1.759 27 W HA 0.414 5.077 4.660 0.006 0.000 0.291 27 W C -2.052 173.858 176.519 -1.015 0.000 0.855 27 W CA -2.151 54.553 57.345 -1.069 0.000 2.167 27 W CB 0.990 29.962 29.460 -0.813 0.000 2.351 27 W HN 0.069 nan 8.180 nan 0.000 0.423 28 P HA -0.228 nan 4.420 nan 0.000 0.222 28 P C 0.845 178.016 177.300 -0.215 0.000 1.142 28 P CA 1.838 64.710 63.100 -0.381 0.000 0.788 28 P CB 0.032 31.556 31.700 -0.293 0.000 0.767 29 W N -0.267 121.034 121.300 0.001 0.000 3.003 29 W HA 0.336 4.999 4.660 0.006 0.000 0.257 29 W C 0.771 177.320 176.519 0.050 0.000 1.308 29 W CA -0.495 56.854 57.345 0.006 0.000 1.529 29 W CB -1.508 27.966 29.460 0.023 0.000 1.115 29 W HN -0.141 nan 8.180 nan 0.000 0.659 30 Q N 3.029 122.814 119.800 -0.025 0.000 2.271 30 Q HA 0.297 4.640 4.340 0.006 0.000 0.273 30 Q C -0.202 175.909 176.000 0.185 0.000 1.051 30 Q CA -0.089 55.759 55.803 0.075 0.000 0.901 30 Q CB 0.869 29.538 28.738 -0.115 0.000 1.174 30 Q HN 0.255 nan 8.270 nan 0.000 0.385 31 V N 0.960 121.015 119.914 0.236 0.000 3.046 31 V HA 0.829 4.953 4.120 0.006 0.000 0.316 31 V C -0.568 175.702 176.094 0.293 0.000 1.104 31 V CA -0.802 61.640 62.300 0.237 0.000 1.006 31 V CB 2.014 33.927 31.823 0.149 0.000 1.058 31 V HN 0.701 nan 8.190 nan 0.000 0.440 32 S N 2.354 118.151 115.700 0.161 0.000 2.449 32 S HA 0.700 5.174 4.470 0.006 0.000 0.310 32 S C -0.706 173.815 174.600 -0.132 0.000 1.096 32 S CA -0.731 57.505 58.200 0.059 0.000 1.095 32 S CB 0.506 63.585 63.200 -0.201 0.000 1.007 32 S HN 0.759 nan 8.310 nan 0.000 0.474 33 L N 4.955 125.950 121.223 -0.379 0.000 2.264 33 L HA 0.525 4.868 4.340 0.006 0.000 0.289 33 L C 0.143 176.584 176.870 -0.717 0.000 1.044 33 L CA -0.431 54.072 54.840 -0.562 0.000 0.807 33 L CB 1.159 42.715 42.059 -0.839 0.000 1.192 33 L HN 0.665 nan 8.230 nan 0.000 0.425 34 Q N 1.305 120.984 119.800 -0.202 0.000 2.451 34 Q HA 0.330 4.674 4.340 0.006 0.000 0.281 34 Q C -1.186 175.023 176.000 0.348 0.000 1.099 34 Q CA -1.066 54.788 55.803 0.085 0.000 0.806 34 Q CB 2.748 31.495 28.738 0.015 0.000 1.419 34 Q HN 0.641 nan 8.270 nan 0.000 0.427 35 D N -0.203 120.430 120.400 0.387 0.000 2.447 35 D HA 0.011 4.654 4.640 0.006 0.000 0.265 35 D C 0.600 176.985 176.300 0.141 0.000 1.250 35 D CA -0.470 53.670 54.000 0.233 0.000 1.046 35 D CB 0.560 41.447 40.800 0.146 0.000 1.095 35 D HN 0.584 nan 8.370 nan 0.000 0.555 36 K N -1.614 118.835 120.400 0.082 0.000 2.360 36 K HA -0.151 4.172 4.320 0.006 0.000 0.201 36 K C 1.328 177.960 176.600 0.053 0.000 1.046 36 K CA 1.578 57.897 56.287 0.054 0.000 0.940 36 K CB -0.734 31.782 32.500 0.028 0.000 0.748 36 K HN 0.542 nan 8.250 nan 0.000 0.465 37 T N -3.732 110.867 114.554 0.074 0.000 3.060 37 T HA 0.278 4.632 4.350 0.006 0.000 0.249 37 T C 1.369 176.121 174.700 0.087 0.000 1.079 37 T CA 0.254 62.397 62.100 0.071 0.000 1.013 37 T CB 0.409 69.319 68.868 0.071 0.000 0.975 37 T HN 0.461 nan 8.240 nan 0.000 0.518 38 G N 0.916 109.780 108.800 0.105 0.000 2.163 38 G HA2 -0.177 3.787 3.960 0.006 0.000 0.213 38 G HA3 -0.177 3.787 3.960 0.006 0.000 0.213 38 G C -0.224 174.735 174.900 0.098 0.000 0.991 38 G CA -0.250 44.892 45.100 0.070 0.000 0.653 38 G HN 0.600 nan 8.290 nan 0.000 0.518 39 F N 2.948 122.928 119.950 0.051 0.000 2.471 39 F HA 0.578 5.108 4.527 0.005 0.000 0.365 39 F C 0.919 176.803 175.800 0.140 0.000 1.095 39 F CA -0.839 57.210 58.000 0.083 0.000 1.174 39 F CB 0.304 39.354 39.000 0.083 0.000 1.105 39 F HN 0.308 nan 8.300 nan 0.000 0.535 40 H N 7.028 125.757 119.070 -0.568 0.000 2.899 40 H HA 0.162 4.721 4.556 0.005 0.000 0.303 40 H C 0.124 175.256 175.328 -0.328 0.000 1.042 40 H CA 0.244 56.029 56.048 -0.437 0.000 1.479 40 H CB 0.313 29.780 29.762 -0.493 0.000 1.493 40 H HN 0.616 nan 8.280 nan 0.000 0.534 41 F N 1.321 120.962 119.950 -0.516 0.000 2.784 41 F HA 0.446 4.976 4.527 0.005 0.000 0.323 41 F C -0.421 175.210 175.800 -0.281 0.000 1.085 41 F CA -0.713 57.165 58.000 -0.203 0.000 1.196 41 F CB -0.060 38.981 39.000 0.068 0.000 1.053 41 F HN 0.441 nan 8.300 nan 0.000 0.578 42 c N 0.197 118.174 118.600 -1.038 0.000 3.275 42 c HA 0.749 5.322 4.570 0.006 0.000 0.340 42 c C 0.489 174.288 174.090 -0.485 0.000 1.366 42 c CA -0.551 55.440 56.329 -0.563 0.000 1.227 42 c CB 1.201 43.476 42.510 -0.392 0.000 1.512 42 c HN 0.685 nan 8.230 nan 0.000 0.461 43 G N -0.280 108.460 108.800 -0.101 0.000 2.601 43 G HA2 0.855 4.818 3.960 0.006 0.000 0.317 43 G HA3 0.855 4.818 3.960 0.006 0.000 0.317 43 G C -0.397 174.514 174.900 0.018 0.000 1.246 43 G CA 0.145 45.290 45.100 0.075 0.000 1.012 43 G HN 1.472 nan 8.290 nan 0.000 0.494 44 G N -1.755 107.098 108.800 0.089 0.000 2.559 44 G HA2 0.539 4.503 3.960 0.006 0.000 0.291 44 G HA3 0.539 4.503 3.960 0.006 0.000 0.291 44 G C -1.437 173.556 174.900 0.156 0.000 1.424 44 G CA -0.297 44.858 45.100 0.093 0.000 0.786 44 G HN 0.917 nan 8.290 nan 0.000 0.485 45 S N -0.403 115.398 115.700 0.169 0.000 2.614 45 S HA 0.515 4.989 4.470 0.006 0.000 0.288 45 S C -0.351 174.379 174.600 0.217 0.000 1.137 45 S CA -0.510 57.829 58.200 0.231 0.000 0.992 45 S CB 1.457 64.761 63.200 0.173 0.000 1.026 45 S HN 0.572 nan 8.310 nan 0.000 0.486 46 L N 3.815 125.198 121.223 0.266 0.000 2.410 46 L HA 0.334 4.677 4.340 0.006 0.000 0.273 46 L C 1.249 178.262 176.870 0.239 0.000 1.152 46 L CA 0.000 54.999 54.840 0.264 0.000 0.855 46 L CB 0.365 42.590 42.059 0.276 0.000 1.129 46 L HN 0.786 nan 8.230 nan 0.000 0.463 47 I N -0.514 120.199 120.570 0.239 0.000 4.070 47 I HA 0.305 4.478 4.170 0.006 0.000 0.328 47 I C 0.091 176.344 176.117 0.227 0.000 1.298 47 I CA -0.195 61.208 61.300 0.172 0.000 1.173 47 I CB 0.278 38.340 38.000 0.104 0.000 1.051 47 I HN 0.740 nan 8.210 nan 0.000 0.409 48 N N 0.138 119.038 118.700 0.334 0.000 3.261 48 N HA 0.011 4.754 4.740 0.006 0.000 0.248 48 N C 0.371 176.080 175.510 0.331 0.000 1.498 48 N CA -0.193 53.052 53.050 0.326 0.000 0.884 48 N CB 0.294 38.888 38.487 0.178 0.000 1.428 48 N HN 0.034 nan 8.380 nan 0.000 0.517 49 E N -0.360 119.836 120.200 -0.007 0.000 2.333 49 E HA -0.142 4.211 4.350 0.006 0.000 0.198 49 E C -0.383 176.258 176.600 0.068 0.000 1.007 49 E CA 1.242 57.591 56.400 -0.085 0.000 0.845 49 E CB -0.400 29.073 29.700 -0.378 0.000 0.766 49 E HN 0.590 nan 8.360 nan 0.000 0.507 50 N N -0.826 117.949 118.700 0.125 0.000 2.171 50 N HA 0.079 4.823 4.740 0.006 0.000 0.212 50 N C -0.833 174.589 175.510 -0.147 0.000 1.184 50 N CA 0.072 53.124 53.050 0.003 0.000 0.888 50 N CB 0.434 38.909 38.487 -0.020 0.000 1.038 50 N HN 0.086 nan 8.380 nan 0.000 0.517 51 W N 0.611 121.946 121.300 0.059 0.000 2.915 51 W HA 0.575 5.238 4.660 0.006 0.000 0.337 51 W C -0.558 176.016 176.519 0.091 0.000 1.102 51 W CA -0.556 56.822 57.345 0.056 0.000 1.224 51 W CB 1.292 30.754 29.460 0.002 0.000 1.416 51 W HN -0.439 nan 8.180 nan 0.000 0.503 52 V N 3.226 123.329 119.914 0.316 0.000 2.656 52 V HA 0.543 4.667 4.120 0.006 0.000 0.307 52 V C -0.916 175.326 176.094 0.246 0.000 1.051 52 V CA -1.185 61.258 62.300 0.238 0.000 0.893 52 V CB 1.869 33.791 31.823 0.164 0.000 0.999 52 V HN 0.339 nan 8.190 nan 0.000 0.426 53 V N 4.593 124.629 119.914 0.202 0.000 2.483 53 V HA 0.848 4.972 4.120 0.006 0.000 0.295 53 V C 0.016 176.194 176.094 0.140 0.000 1.035 53 V CA 0.545 62.959 62.300 0.190 0.000 0.896 53 V CB 1.931 33.852 31.823 0.162 0.000 0.986 53 V HN 1.106 nan 8.190 nan 0.000 0.447 54 T N 4.303 118.931 114.554 0.123 0.000 2.618 54 T HA 0.762 5.115 4.350 0.006 0.000 0.293 54 T C -0.680 174.026 174.700 0.011 0.000 1.093 54 T CA 0.126 62.258 62.100 0.054 0.000 1.061 54 T CB 1.527 70.409 68.868 0.024 0.000 1.498 54 T HN 1.216 nan 8.240 nan 0.000 0.494 55 A N 0.313 123.082 122.820 -0.086 0.000 2.304 55 A HA 0.754 5.078 4.320 0.006 0.000 0.301 55 A C 1.410 178.828 177.584 -0.277 0.000 1.132 55 A CA 0.228 52.157 52.037 -0.181 0.000 0.819 55 A CB 0.416 19.223 19.000 -0.322 0.000 1.094 55 A HN 1.177 nan 8.150 nan 0.000 0.492 56 A N 0.831 123.443 122.820 -0.347 0.000 1.969 56 A HA -0.110 4.214 4.320 0.006 0.000 0.218 56 A C 1.735 178.997 177.584 -0.537 0.000 1.169 56 A CA 1.641 53.370 52.037 -0.514 0.000 0.635 56 A CB -0.961 17.485 19.000 -0.924 0.000 0.810 56 A HN 1.062 nan 8.150 nan 0.000 0.445 57 H N -1.838 116.978 119.070 -0.424 0.000 2.545 57 H HA -0.048 4.512 4.556 0.006 0.000 0.282 57 H C 1.688 177.002 175.328 -0.023 0.000 1.020 57 H CA 1.222 57.173 56.048 -0.162 0.000 1.243 57 H CB -0.846 28.920 29.762 0.007 0.000 1.377 57 H HN 0.404 nan 8.280 nan 0.000 0.581 58 c N 1.122 119.507 118.600 -0.359 0.000 2.437 58 c HA 0.103 4.676 4.570 0.006 0.000 0.283 58 c C 2.048 176.180 174.090 0.070 0.000 1.424 58 c CA 0.929 57.225 56.329 -0.054 0.000 1.782 58 c CB -1.268 41.228 42.510 -0.023 0.000 1.833 58 c HN 0.918 nan 8.230 nan 0.000 0.532 59 G N 0.980 109.773 108.800 -0.011 0.000 2.305 59 G HA2 -0.226 3.738 3.960 0.006 0.000 0.287 59 G HA3 -0.226 3.738 3.960 0.006 0.000 0.287 59 G C 0.092 174.986 174.900 -0.009 0.000 1.036 59 G CA 0.366 45.454 45.100 -0.019 0.000 0.887 59 G HN 0.439 nan 8.290 nan 0.000 0.505 60 V N 0.712 120.679 119.914 0.089 0.000 2.763 60 V HA 0.518 4.642 4.120 0.006 0.000 0.306 60 V C 1.203 177.331 176.094 0.057 0.000 1.059 60 V CA 0.887 63.277 62.300 0.151 0.000 1.138 60 V CB 1.075 33.019 31.823 0.201 0.000 0.940 60 V HN 0.997 nan 8.190 nan 0.000 0.489 61 T N -0.546 114.034 114.554 0.044 0.000 2.864 61 T HA 0.326 4.680 4.350 0.006 0.000 0.289 61 T C 0.942 175.654 174.700 0.021 0.000 1.082 61 T CA 0.084 62.189 62.100 0.008 0.000 1.009 61 T CB 1.606 70.459 68.868 -0.025 0.000 1.234 61 T HN 0.761 nan 8.240 nan 0.000 0.526 62 T N -1.235 113.317 114.554 -0.003 0.000 3.098 62 T HA 0.016 4.370 4.350 0.006 0.000 0.266 62 T C 1.647 176.351 174.700 0.005 0.000 1.145 62 T CA 0.885 62.983 62.100 -0.003 0.000 1.092 62 T CB -0.659 68.196 68.868 -0.023 0.000 0.908 62 T HN 0.472 nan 8.240 nan 0.000 0.526 63 S N 1.109 116.813 115.700 0.006 0.000 2.528 63 S HA 0.102 4.576 4.470 0.006 0.000 0.219 63 S C 0.510 175.131 174.600 0.036 0.000 0.985 63 S CA -0.115 58.090 58.200 0.009 0.000 0.914 63 S CB -0.045 63.150 63.200 -0.009 0.000 0.776 63 S HN 0.597 nan 8.310 nan 0.000 0.526 64 D N 1.439 121.879 120.400 0.067 0.000 2.387 64 D HA 0.452 5.096 4.640 0.006 0.000 0.251 64 D C 0.091 176.453 176.300 0.102 0.000 1.141 64 D CA -0.192 53.891 54.000 0.138 0.000 0.987 64 D CB 1.578 42.544 40.800 0.276 0.000 1.116 64 D HN 0.137 nan 8.370 nan 0.000 0.491 65 V N -2.412 117.564 119.914 0.103 0.000 2.962 65 V HA 0.610 4.734 4.120 0.006 0.000 0.313 65 V C -0.424 175.684 176.094 0.024 0.000 1.099 65 V CA -0.918 61.413 62.300 0.051 0.000 0.971 65 V CB 1.799 33.644 31.823 0.037 0.000 1.028 65 V HN 0.204 nan 8.190 nan 0.000 0.430 66 V N 3.360 123.285 119.914 0.017 0.000 2.394 66 V HA 0.475 4.599 4.120 0.006 0.000 0.282 66 V C -0.075 176.027 176.094 0.014 0.000 1.031 66 V CA -0.336 61.971 62.300 0.012 0.000 0.881 66 V CB 1.532 33.377 31.823 0.035 0.000 0.982 66 V HN 0.764 nan 8.190 nan 0.000 0.451 67 V N 5.169 125.083 119.914 0.000 0.000 2.334 67 V HA 0.751 4.875 4.120 0.006 0.000 0.281 67 V C 0.425 176.543 176.094 0.041 0.000 1.016 67 V CA -0.347 61.953 62.300 -0.001 0.000 0.832 67 V CB 1.326 33.113 31.823 -0.060 0.000 0.999 67 V HN 0.971 nan 8.190 nan 0.000 0.439 68 A N 3.384 126.241 122.820 0.061 0.000 2.311 68 A HA 0.813 5.136 4.320 0.006 0.000 0.334 68 A C 1.122 178.755 177.584 0.082 0.000 1.139 68 A CA 0.011 52.103 52.037 0.090 0.000 0.830 68 A CB 1.107 20.166 19.000 0.099 0.000 1.234 68 A HN 1.994 nan 8.150 nan 0.000 0.483 69 G N -0.301 108.552 108.800 0.089 0.000 2.160 69 G HA2 -0.218 3.745 3.960 0.006 0.000 0.251 69 G HA3 -0.218 3.745 3.960 0.006 0.000 0.251 69 G C 0.087 175.058 174.900 0.118 0.000 1.008 69 G CA 0.787 45.933 45.100 0.075 0.000 0.724 69 G HN 1.072 nan 8.290 nan 0.000 0.514 70 E N -1.356 118.953 120.200 0.182 0.000 2.277 70 E HA 0.713 5.066 4.350 0.006 0.000 0.274 70 E C 0.600 177.479 176.600 0.464 0.000 1.022 70 E CA -0.927 55.606 56.400 0.222 0.000 0.853 70 E CB 0.569 30.299 29.700 0.051 0.000 1.086 70 E HN 0.250 nan 8.360 nan 0.000 0.397 71 F N 2.098 122.197 119.950 0.249 0.000 2.212 71 F HA 0.275 4.806 4.527 0.007 0.000 0.262 71 F C -0.241 175.760 175.800 0.336 0.000 0.906 71 F CA -0.143 58.028 58.000 0.285 0.000 1.127 71 F CB 0.601 39.665 39.000 0.107 0.000 1.178 71 F HN 0.415 nan 8.300 nan 0.000 0.779 72 D N 1.504 121.878 120.400 -0.043 0.000 2.454 72 D HA 0.192 4.836 4.640 0.006 0.000 0.225 72 D C 0.361 176.579 176.300 -0.137 0.000 1.081 72 D CA 0.014 53.902 54.000 -0.186 0.000 0.864 72 D CB 1.375 42.151 40.800 -0.041 0.000 1.040 72 D HN 0.428 nan 8.370 nan 0.000 0.517 73 Q N 1.793 121.439 119.800 -0.256 0.000 2.488 73 Q HA 0.019 4.362 4.340 0.006 0.000 0.211 73 Q C 1.524 177.406 176.000 -0.196 0.000 0.967 73 Q CA 0.590 56.197 55.803 -0.328 0.000 0.926 73 Q CB 0.445 28.840 28.738 -0.572 0.000 0.992 73 Q HN 0.504 nan 8.270 nan 0.000 0.506 74 G N 0.322 109.039 108.800 -0.139 0.000 2.939 74 G HA2 -0.039 3.925 3.960 0.006 0.000 0.210 74 G HA3 -0.039 3.925 3.960 0.006 0.000 0.210 74 G C 0.315 175.184 174.900 -0.053 0.000 1.160 74 G CA -0.166 44.882 45.100 -0.087 0.000 0.770 74 G HN 0.136 nan 8.290 nan 0.000 0.543 75 S N 0.521 116.194 115.700 -0.045 0.000 2.422 75 S HA 0.377 4.851 4.470 0.006 0.000 0.298 75 S C 1.615 176.204 174.600 -0.017 0.000 1.118 75 S CA 0.132 58.325 58.200 -0.013 0.000 1.083 75 S CB 1.121 64.333 63.200 0.021 0.000 0.971 75 S HN 0.289 nan 8.310 nan 0.000 0.478 76 S N 3.363 119.055 115.700 -0.013 0.000 2.496 76 S HA -0.057 4.417 4.470 0.006 0.000 0.224 76 S C 1.656 176.255 174.600 -0.003 0.000 0.996 76 S CA 0.723 58.915 58.200 -0.013 0.000 0.927 76 S CB -0.348 62.845 63.200 -0.011 0.000 0.774 76 S HN 0.808 nan 8.310 nan 0.000 0.524 77 S N 0.524 116.227 115.700 0.005 0.000 2.528 77 S HA 0.150 4.624 4.470 0.006 0.000 0.219 77 S C 0.497 175.106 174.600 0.016 0.000 0.985 77 S CA -0.368 57.838 58.200 0.010 0.000 0.914 77 S CB -0.507 62.699 63.200 0.011 0.000 0.776 77 S HN 0.643 nan 8.310 nan 0.000 0.526 78 E N 2.201 122.414 120.200 0.022 0.000 2.414 78 E HA 0.027 4.380 4.350 0.006 0.000 0.263 78 E C -0.600 176.016 176.600 0.027 0.000 1.000 78 E CA -0.124 56.297 56.400 0.035 0.000 0.914 78 E CB 0.419 30.151 29.700 0.054 0.000 0.948 78 E HN 0.059 nan 8.360 nan 0.000 0.444 79 K N 5.414 125.832 120.400 0.030 0.000 2.316 79 K HA 0.263 4.586 4.320 0.006 0.000 0.289 79 K C 0.118 176.737 176.600 0.032 0.000 1.070 79 K CA -0.001 56.302 56.287 0.025 0.000 0.928 79 K CB -0.056 32.457 32.500 0.022 0.000 1.039 79 K HN 0.456 nan 8.250 nan 0.000 0.480 80 I N -1.365 119.221 120.570 0.026 0.000 3.264 80 I HA 0.385 4.559 4.170 0.006 0.000 0.315 80 I C -0.884 175.251 176.117 0.029 0.000 1.154 80 I CA -1.246 60.072 61.300 0.030 0.000 0.962 80 I CB 2.083 40.093 38.000 0.016 0.000 1.265 80 I HN 0.234 nan 8.210 nan 0.000 0.463 81 Q N 1.898 121.720 119.800 0.036 0.000 2.339 81 Q HA 0.430 4.774 4.340 0.006 0.000 0.268 81 Q C -1.429 174.591 176.000 0.032 0.000 1.027 81 Q CA -0.716 55.111 55.803 0.040 0.000 0.759 81 Q CB 2.405 31.179 28.738 0.060 0.000 1.244 81 Q HN 0.424 nan 8.270 nan 0.000 0.464 82 K N 3.602 124.015 120.400 0.022 0.000 2.263 82 K HA 0.373 4.696 4.320 0.006 0.000 0.282 82 K C -0.753 175.859 176.600 0.021 0.000 1.089 82 K CA -0.159 56.138 56.287 0.016 0.000 0.907 82 K CB 0.677 33.182 32.500 0.009 0.000 1.148 82 K HN 0.388 nan 8.250 nan 0.000 0.470 83 L N 3.658 124.895 121.223 0.024 0.000 2.296 83 L HA 0.379 4.723 4.340 0.006 0.000 0.286 83 L C 0.165 177.043 176.870 0.014 0.000 1.023 83 L CA -0.881 53.972 54.840 0.022 0.000 0.812 83 L CB 1.239 43.317 42.059 0.033 0.000 1.223 83 L HN 0.357 nan 8.230 nan 0.000 0.421 84 K N 3.182 123.585 120.400 0.006 0.000 2.202 84 K HA 0.475 4.798 4.320 0.006 0.000 0.264 84 K C -0.569 176.025 176.600 -0.010 0.000 1.010 84 K CA -0.363 55.926 56.287 0.002 0.000 0.940 84 K CB 1.323 33.822 32.500 -0.001 0.000 0.983 84 K HN 0.446 nan 8.250 nan 0.000 0.475 85 I N 2.124 122.690 120.570 -0.007 0.000 2.331 85 I HA 0.072 4.245 4.170 0.006 0.000 0.292 85 I C 0.934 177.029 176.117 -0.035 0.000 0.998 85 I CA -0.093 61.194 61.300 -0.021 0.000 1.267 85 I CB 1.710 39.713 38.000 0.005 0.000 1.386 85 I HN 0.783 nan 8.210 nan 0.000 0.476 86 A N 6.169 128.951 122.820 -0.063 0.000 1.903 86 A HA 0.106 4.430 4.320 0.006 0.000 0.213 86 A C 0.919 178.468 177.584 -0.059 0.000 1.185 86 A CA 1.046 53.048 52.037 -0.059 0.000 0.628 86 A CB 0.220 19.175 19.000 -0.075 0.000 0.830 86 A HN 0.699 nan 8.150 nan 0.000 0.446 87 K N -1.125 119.237 120.400 -0.063 0.000 2.546 87 K HA 0.542 4.866 4.320 0.006 0.000 0.264 87 K C -2.070 174.480 176.600 -0.082 0.000 0.937 87 K CA -0.549 55.671 56.287 -0.112 0.000 0.833 87 K CB 2.327 34.741 32.500 -0.143 0.000 1.378 87 K HN -0.030 nan 8.250 nan 0.000 0.432 88 V N 3.898 123.702 119.914 -0.183 0.000 2.417 88 V HA 0.486 4.610 4.120 0.006 0.000 0.291 88 V C -1.065 174.934 176.094 -0.158 0.000 1.024 88 V CA -0.589 61.691 62.300 -0.034 0.000 0.861 88 V CB 0.977 32.799 31.823 -0.002 0.000 0.985 88 V HN 0.565 nan 8.190 nan 0.000 0.436 89 F N 3.829 123.904 119.950 0.208 0.000 2.359 89 F HA 0.444 4.974 4.527 0.006 0.000 0.370 89 F C 0.419 176.458 175.800 0.397 0.000 1.077 89 F CA -0.637 57.541 58.000 0.296 0.000 1.136 89 F CB 1.071 40.267 39.000 0.326 0.000 1.387 89 F HN 0.339 nan 8.300 nan 0.000 0.468 90 K N 2.560 123.179 120.400 0.365 0.000 2.276 90 K HA 0.122 4.445 4.320 0.006 0.000 0.283 90 K C 0.301 177.051 176.600 0.251 0.000 1.044 90 K CA -0.562 55.869 56.287 0.240 0.000 0.944 90 K CB 0.576 33.138 32.500 0.104 0.000 1.012 90 K HN 0.429 nan 8.250 nan 0.000 0.472 91 N N 2.385 121.043 118.700 -0.071 0.000 2.440 91 N HA -0.092 4.652 4.740 0.006 0.000 0.265 91 N C 0.702 176.161 175.510 -0.086 0.000 1.239 91 N CA 0.420 53.206 53.050 -0.441 0.000 0.909 91 N CB 0.910 38.752 38.487 -1.073 0.000 1.066 91 N HN 0.722 nan 8.380 nan 0.000 0.474 92 S N 3.454 119.178 115.700 0.041 0.000 2.500 92 S HA -0.072 4.401 4.470 0.006 0.000 0.239 92 S C 1.067 175.683 174.600 0.025 0.000 0.989 92 S CA 0.877 59.122 58.200 0.075 0.000 0.951 92 S CB 0.004 63.275 63.200 0.118 0.000 0.759 92 S HN 0.633 nan 8.310 nan 0.000 0.523 93 K N 0.070 120.445 120.400 -0.042 0.000 2.404 93 K HA 0.147 4.471 4.320 0.006 0.000 0.194 93 K C -0.131 176.454 176.600 -0.024 0.000 1.023 93 K CA -0.370 55.891 56.287 -0.043 0.000 1.094 93 K CB -0.020 32.436 32.500 -0.072 0.000 0.841 93 K HN 0.511 nan 8.250 nan 0.000 0.523 94 Y N 2.884 123.113 120.300 -0.117 0.000 2.721 94 Y HA -0.073 4.481 4.550 0.005 0.000 0.329 94 Y C -0.024 175.845 175.900 -0.052 0.000 1.211 94 Y CA -0.477 57.572 58.100 -0.085 0.000 1.512 94 Y CB 0.056 38.475 38.460 -0.068 0.000 1.249 94 Y HN -0.040 nan 8.280 nan 0.000 0.549 95 N N 4.030 122.347 118.700 -0.638 0.000 2.485 95 N HA 0.026 4.770 4.740 0.006 0.000 0.243 95 N C 0.471 175.425 175.510 -0.928 0.000 0.987 95 N CA 0.421 53.125 53.050 -0.576 0.000 0.940 95 N CB 1.046 39.350 38.487 -0.305 0.000 1.122 95 N HN 0.792 nan 8.380 nan 0.000 0.509 96 S N 3.222 118.459 115.700 -0.771 0.000 2.547 96 S HA -0.032 4.441 4.470 0.006 0.000 0.235 96 S C 1.622 176.038 174.600 -0.306 0.000 0.980 96 S CA 0.451 58.331 58.200 -0.533 0.000 0.941 96 S CB -0.060 63.023 63.200 -0.195 0.000 0.763 96 S HN 0.589 nan 8.310 nan 0.000 0.532 97 L N 1.107 122.156 121.223 -0.290 0.000 2.269 97 L HA 0.103 4.447 4.340 0.006 0.000 0.200 97 L C 2.903 179.624 176.870 -0.249 0.000 1.069 97 L CA 1.251 55.961 54.840 -0.216 0.000 0.804 97 L CB -0.904 41.058 42.059 -0.162 0.000 0.987 97 L HN 0.498 nan 8.230 nan 0.000 0.468 98 T N -3.122 111.278 114.554 -0.255 0.000 3.057 98 T HA 0.175 4.529 4.350 0.006 0.000 0.254 98 T C 1.198 175.726 174.700 -0.286 0.000 1.094 98 T CA 0.094 62.047 62.100 -0.246 0.000 1.088 98 T CB 0.113 68.886 68.868 -0.158 0.000 0.934 98 T HN 0.263 nan 8.240 nan 0.000 0.497 99 I N -0.370 120.026 120.570 -0.291 0.000 5.582 99 I HA -0.233 3.941 4.170 0.006 0.000 0.139 99 I C 0.136 176.288 176.117 0.058 0.000 1.814 99 I CA 0.096 61.315 61.300 -0.135 0.000 2.037 99 I CB -2.588 35.256 38.000 -0.260 0.000 3.362 99 I HN 0.311 nan 8.210 nan 0.000 0.169 100 N N 2.613 121.293 118.700 -0.033 0.000 2.503 100 N HA 0.233 4.977 4.740 0.006 0.000 0.267 100 N C 0.607 176.174 175.510 0.095 0.000 1.214 100 N CA 0.536 53.616 53.050 0.051 0.000 0.959 100 N CB 0.378 38.866 38.487 0.003 0.000 1.142 100 N HN 0.246 nan 8.380 nan 0.000 0.455 101 N N 0.653 119.414 118.700 0.101 0.000 2.758 101 N HA -0.214 4.529 4.740 0.006 0.000 0.248 101 N C -1.307 174.294 175.510 0.151 0.000 1.076 101 N CA 0.453 53.539 53.050 0.060 0.000 0.696 101 N CB -1.233 37.246 38.487 -0.013 0.000 0.979 101 N HN 0.637 nan 8.380 nan 0.000 0.550 102 D N 1.250 121.775 120.400 0.207 0.000 2.600 102 D HA 0.378 5.022 4.640 0.006 0.000 0.226 102 D C 0.023 176.313 176.300 -0.016 0.000 1.119 102 D CA 0.137 54.228 54.000 0.151 0.000 1.051 102 D CB -0.273 40.697 40.800 0.282 0.000 1.106 102 D HN 0.502 nan 8.370 nan 0.000 0.491 103 I N 0.761 121.258 120.570 -0.122 0.000 2.752 103 I HA 0.362 4.535 4.170 0.006 0.000 0.295 103 I C -1.227 174.833 176.117 -0.095 0.000 1.219 103 I CA -0.291 60.957 61.300 -0.088 0.000 1.030 103 I CB 2.178 40.147 38.000 -0.052 0.000 1.259 103 I HN -0.077 nan 8.210 nan 0.000 0.423 104 T N 7.015 121.626 114.554 0.094 0.000 2.933 104 T HA 0.559 4.913 4.350 0.006 0.000 0.305 104 T C -1.004 173.927 174.700 0.385 0.000 1.092 104 T CA -0.459 61.791 62.100 0.250 0.000 1.008 104 T CB 1.813 70.749 68.868 0.113 0.000 1.102 104 T HN 0.338 nan 8.240 nan 0.000 0.469 105 L N 3.034 124.585 121.223 0.547 0.000 2.334 105 L HA 0.651 4.995 4.340 0.006 0.000 0.276 105 L C -0.912 176.254 176.870 0.493 0.000 1.014 105 L CA -0.952 54.189 54.840 0.502 0.000 0.815 105 L CB 1.385 43.718 42.059 0.457 0.000 1.268 105 L HN 0.382 nan 8.230 nan 0.000 0.428 106 L N 3.620 125.062 121.223 0.364 0.000 2.325 106 L HA 0.486 4.830 4.340 0.006 0.000 0.281 106 L C -0.295 176.535 176.870 -0.067 0.000 1.004 106 L CA -0.544 54.406 54.840 0.184 0.000 0.823 106 L CB 1.652 43.782 42.059 0.120 0.000 1.236 106 L HN 0.497 nan 8.230 nan 0.000 0.415 107 K N 4.529 124.741 120.400 -0.313 0.000 2.234 107 K HA 0.506 4.830 4.320 0.006 0.000 0.277 107 K C -0.692 175.662 176.600 -0.410 0.000 1.038 107 K CA -0.572 55.187 56.287 -0.881 0.000 0.888 107 K CB 0.858 32.747 32.500 -1.018 0.000 1.091 107 K HN 0.550 nan 8.250 nan 0.000 0.467 108 L N 3.520 124.524 121.223 -0.365 0.000 2.397 108 L HA 0.055 4.399 4.340 0.006 0.000 0.271 108 L C 1.665 178.448 176.870 -0.146 0.000 1.148 108 L CA -0.293 54.443 54.840 -0.172 0.000 0.825 108 L CB 1.361 43.361 42.059 -0.099 0.000 1.117 108 L HN 0.832 nan 8.230 nan 0.000 0.456 109 S N -0.048 115.601 115.700 -0.084 0.000 2.436 109 S HA -0.016 4.457 4.470 0.006 0.000 0.228 109 S C 0.761 175.334 174.600 -0.044 0.000 1.014 109 S CA 0.226 58.390 58.200 -0.060 0.000 0.950 109 S CB 0.004 63.182 63.200 -0.038 0.000 0.784 109 S HN 0.696 nan 8.310 nan 0.000 0.504 110 T N 2.205 116.738 114.554 -0.036 0.000 2.881 110 T HA 0.730 5.084 4.350 0.006 0.000 0.291 110 T C -0.202 174.489 174.700 -0.014 0.000 0.990 110 T CA -0.385 61.704 62.100 -0.019 0.000 0.976 110 T CB 1.566 70.431 68.868 -0.005 0.000 0.970 110 T HN 0.503 nan 8.240 nan 0.000 0.438 111 A N 2.638 125.449 122.820 -0.015 0.000 2.466 111 A HA 0.664 4.988 4.320 0.006 0.000 0.238 111 A C 0.765 178.367 177.584 0.030 0.000 1.074 111 A CA -0.338 51.695 52.037 -0.007 0.000 0.774 111 A CB -0.085 18.897 19.000 -0.030 0.000 1.015 111 A HN 1.065 nan 8.150 nan 0.000 0.498 112 A N 1.205 124.071 122.820 0.076 0.000 2.340 112 A HA 0.538 4.861 4.320 0.006 0.000 0.268 112 A C 0.624 178.307 177.584 0.166 0.000 1.100 112 A CA 0.282 52.414 52.037 0.158 0.000 0.803 112 A CB 0.291 19.463 19.000 0.288 0.000 1.043 112 A HN 1.412 nan 8.150 nan 0.000 0.488 113 S N 1.972 117.784 115.700 0.187 0.000 2.415 113 S HA 0.517 4.991 4.470 0.006 0.000 0.313 113 S C -0.557 174.240 174.600 0.329 0.000 1.067 113 S CA -0.576 57.731 58.200 0.177 0.000 1.099 113 S CB -0.738 62.527 63.200 0.108 0.000 0.991 113 S HN 0.358 nan 8.310 nan 0.000 0.491 114 F N 3.952 123.933 119.950 0.050 0.000 2.572 114 F HA 0.360 4.891 4.527 0.006 0.000 0.370 114 F C 1.392 177.218 175.800 0.043 0.000 1.103 114 F CA -0.311 57.723 58.000 0.057 0.000 1.286 114 F CB 0.486 39.525 39.000 0.066 0.000 1.105 114 F HN 0.729 nan 8.300 nan 0.000 0.583 115 S N 1.817 117.605 115.700 0.146 0.000 2.800 115 S HA 0.212 4.686 4.470 0.006 0.000 0.293 115 S C 0.565 175.170 174.600 0.009 0.000 1.209 115 S CA -0.649 57.596 58.200 0.075 0.000 0.884 115 S CB 1.401 64.636 63.200 0.059 0.000 1.244 115 S HN 0.570 nan 8.310 nan 0.000 0.540 116 Q N 0.434 120.231 119.800 -0.005 0.000 2.181 116 Q HA -0.134 4.210 4.340 0.006 0.000 0.205 116 Q C 1.390 177.342 176.000 -0.079 0.000 0.980 116 Q CA 2.288 58.068 55.803 -0.039 0.000 0.862 116 Q CB -0.498 28.216 28.738 -0.039 0.000 0.905 116 Q HN 0.921 nan 8.270 nan 0.000 0.429 117 T N -3.545 110.969 114.554 -0.068 0.000 3.044 117 T HA 0.349 4.703 4.350 0.006 0.000 0.260 117 T C -0.074 174.572 174.700 -0.091 0.000 1.019 117 T CA -0.375 61.671 62.100 -0.090 0.000 0.921 117 T CB 0.885 69.720 68.868 -0.055 0.000 1.053 117 T HN -0.025 nan 8.240 nan 0.000 0.533 118 V N 2.536 122.392 119.914 -0.097 0.000 2.488 118 V HA 0.740 4.864 4.120 0.006 0.000 0.293 118 V C -0.536 175.312 176.094 -0.411 0.000 1.027 118 V CA -0.487 61.730 62.300 -0.139 0.000 0.862 118 V CB 1.343 33.162 31.823 -0.007 0.000 1.008 118 V HN 0.698 nan 8.190 nan 0.000 0.428 119 S N 3.277 118.639 115.700 -0.564 0.000 2.672 119 S HA 0.946 5.420 4.470 0.006 0.000 0.271 119 S C -0.534 173.762 174.600 -0.507 0.000 1.171 119 S CA -0.349 57.202 58.200 -1.082 0.000 0.817 119 S CB 1.875 64.809 63.200 -0.444 0.000 1.150 119 S HN 1.310 nan 8.310 nan 0.000 0.478 120 A N 0.161 122.815 122.820 -0.278 0.000 2.282 120 A HA 0.845 5.168 4.320 0.006 0.000 0.319 120 A C -0.128 177.550 177.584 0.158 0.000 1.121 120 A CA -0.780 51.347 52.037 0.151 0.000 0.836 120 A CB 1.111 20.305 19.000 0.324 0.000 1.146 120 A HN 1.385 nan 8.150 nan 0.000 0.494 121 V N 0.618 120.483 119.914 -0.082 0.000 2.837 121 V HA 0.428 4.552 4.120 0.006 0.000 0.310 121 V C 0.078 176.013 176.094 -0.266 0.000 1.059 121 V CA -0.624 61.301 62.300 -0.623 0.000 1.004 121 V CB 1.201 32.314 31.823 -1.183 0.000 1.045 121 V HN 1.030 nan 8.190 nan 0.000 0.465 122 c N 5.367 123.820 118.600 -0.245 0.000 2.466 122 c HA 0.519 5.093 4.570 0.006 0.000 0.379 122 c C 0.157 174.195 174.090 -0.087 0.000 1.251 122 c CA -0.787 55.484 56.329 -0.097 0.000 2.263 122 c CB 0.079 42.562 42.510 -0.044 0.000 2.511 122 c HN 0.736 nan 8.230 nan 0.000 0.573 123 L N 4.651 125.852 121.223 -0.037 0.000 2.322 123 L HA 0.468 4.812 4.340 0.006 0.000 0.279 123 L C -1.659 175.226 176.870 0.024 0.000 1.036 123 L CA -1.173 53.658 54.840 -0.016 0.000 0.807 123 L CB 1.387 43.436 42.059 -0.016 0.000 1.226 123 L HN 0.523 nan 8.230 nan 0.000 0.433 124 P HA 0.236 nan 4.420 nan 0.000 0.282 124 P C -0.901 176.448 177.300 0.080 0.000 1.287 124 P CA -0.525 62.654 63.100 0.131 0.000 0.792 124 P CB 1.131 32.997 31.700 0.276 0.000 1.163 125 S N -0.673 115.067 115.700 0.067 0.000 2.578 125 S HA 0.385 4.859 4.470 0.006 0.000 0.283 125 S C 1.465 176.093 174.600 0.047 0.000 1.195 125 S CA -0.121 58.098 58.200 0.033 0.000 1.050 125 S CB 1.158 64.359 63.200 0.002 0.000 1.012 125 S HN 0.569 nan 8.310 nan 0.000 0.511 126 A N 2.088 124.932 122.820 0.039 0.000 2.032 126 A HA -0.120 4.203 4.320 0.006 0.000 0.221 126 A C 2.055 179.660 177.584 0.035 0.000 1.165 126 A CA 1.982 54.047 52.037 0.048 0.000 0.645 126 A CB -0.766 18.258 19.000 0.041 0.000 0.807 126 A HN 0.845 nan 8.150 nan 0.000 0.453 127 S N -0.606 115.100 115.700 0.010 0.000 2.548 127 S HA 0.059 4.532 4.470 0.006 0.000 0.215 127 S C 0.082 174.653 174.600 -0.047 0.000 0.976 127 S CA -0.237 57.956 58.200 -0.012 0.000 0.908 127 S CB -0.235 62.953 63.200 -0.020 0.000 0.781 127 S HN 0.423 nan 8.310 nan 0.000 0.519 128 D N 2.956 123.320 120.400 -0.060 0.000 2.472 128 D HA 0.227 4.871 4.640 0.006 0.000 0.237 128 D C -0.609 175.544 176.300 -0.245 0.000 1.141 128 D CA 0.824 54.703 54.000 -0.201 0.000 0.875 128 D CB 0.636 41.305 40.800 -0.217 0.000 1.192 128 D HN 0.424 nan 8.370 nan 0.000 0.450 129 D N 1.069 121.227 120.400 -0.404 0.000 2.505 129 D HA 0.224 4.868 4.640 0.006 0.000 0.250 129 D C -1.326 174.723 176.300 -0.419 0.000 1.164 129 D CA -0.573 53.264 54.000 -0.271 0.000 0.870 129 D CB 0.175 40.889 40.800 -0.143 0.000 1.160 129 D HN 0.039 nan 8.370 nan 0.000 0.549 130 F N 2.899 122.841 119.950 -0.013 0.000 2.335 130 F HA 0.520 5.051 4.527 0.006 0.000 0.365 130 F C 1.071 176.862 175.800 -0.014 0.000 1.122 130 F CA -0.931 57.058 58.000 -0.018 0.000 1.151 130 F CB 0.989 39.976 39.000 -0.021 0.000 1.282 130 F HN 0.385 nan 8.300 nan 0.000 0.513 131 A N 2.562 125.431 122.820 0.082 0.000 2.555 131 A HA 0.459 4.782 4.320 0.006 0.000 0.233 131 A C 0.565 178.188 177.584 0.066 0.000 1.060 131 A CA -0.089 51.980 52.037 0.053 0.000 0.759 131 A CB -0.129 18.884 19.000 0.021 0.000 0.995 131 A HN 0.895 nan 8.150 nan 0.000 0.506 132 A N 1.138 123.986 122.820 0.047 0.000 2.498 132 A HA 0.512 4.836 4.320 0.006 0.000 0.239 132 A C 1.639 179.241 177.584 0.030 0.000 1.068 132 A CA 0.779 52.839 52.037 0.038 0.000 0.766 132 A CB -0.481 18.539 19.000 0.033 0.000 1.003 132 A HN 2.769 nan 8.150 nan 0.000 0.497 133 G N 1.374 110.189 108.800 0.024 0.000 2.234 133 G HA2 -0.208 3.756 3.960 0.006 0.000 0.235 133 G HA3 -0.208 3.756 3.960 0.006 0.000 0.235 133 G C 0.518 175.432 174.900 0.023 0.000 0.997 133 G CA 0.332 45.444 45.100 0.020 0.000 0.623 133 G HN 1.233 nan 8.290 nan 0.000 0.514 134 T N 2.702 117.277 114.554 0.034 0.000 2.908 134 T HA 0.422 4.775 4.350 0.006 0.000 0.301 134 T C 0.615 175.334 174.700 0.031 0.000 1.019 134 T CA 1.084 63.210 62.100 0.044 0.000 1.152 134 T CB 0.967 69.884 68.868 0.082 0.000 0.966 134 T HN 0.270 nan 8.240 nan 0.000 0.540 135 T N 4.360 118.937 114.554 0.038 0.000 2.737 135 T HA 0.354 4.708 4.350 0.006 0.000 0.296 135 T C 0.339 175.082 174.700 0.072 0.000 0.922 135 T CA -0.540 61.587 62.100 0.044 0.000 1.079 135 T CB -0.206 68.696 68.868 0.056 0.000 0.892 135 T HN 0.693 nan 8.240 nan 0.000 0.514 136 c N 2.884 121.512 118.600 0.046 0.000 2.967 136 c HA 0.888 5.462 4.570 0.006 0.000 0.372 136 c C -0.044 174.075 174.090 0.049 0.000 1.455 136 c CA -0.678 55.699 56.329 0.079 0.000 1.638 136 c CB 1.590 44.075 42.510 -0.041 0.000 2.096 136 c HN 0.601 nan 8.230 nan 0.000 0.466 137 V N 0.260 120.173 119.914 -0.002 0.000 2.841 137 V HA 0.727 4.851 4.120 0.006 0.000 0.310 137 V C -0.341 175.556 176.094 -0.328 0.000 1.090 137 V CA -0.171 62.019 62.300 -0.183 0.000 0.930 137 V CB 1.951 33.591 31.823 -0.305 0.000 1.014 137 V HN 0.965 nan 8.190 nan 0.000 0.425 138 T N 2.222 116.575 114.554 -0.336 0.000 2.893 138 T HA 0.820 5.174 4.350 0.006 0.000 0.291 138 T C -0.491 173.963 174.700 -0.411 0.000 1.028 138 T CA 0.058 61.974 62.100 -0.306 0.000 0.995 138 T CB 1.653 70.447 68.868 -0.124 0.000 1.051 138 T HN 1.108 nan 8.240 nan 0.000 0.470 139 T N 0.257 114.555 114.554 -0.426 0.000 2.883 139 T HA 0.938 5.292 4.350 0.006 0.000 0.296 139 T C 0.019 174.505 174.700 -0.358 0.000 1.117 139 T CA -0.272 61.524 62.100 -0.507 0.000 1.006 139 T CB 1.596 69.961 68.868 -0.839 0.000 1.191 139 T HN 1.299 nan 8.240 nan 0.000 0.508 140 G N -0.706 107.825 108.800 -0.449 0.000 2.336 140 G HA2 0.324 4.288 3.960 0.006 0.000 0.300 140 G HA3 0.324 4.288 3.960 0.006 0.000 0.300 140 G C -1.314 173.323 174.900 -0.438 0.000 1.375 140 G CA -0.819 44.057 45.100 -0.374 0.000 0.885 140 G HN 0.698 nan 8.290 nan 0.000 0.599 141 W N 1.280 122.476 121.300 -0.172 0.000 3.067 141 W HA 0.405 5.068 4.660 0.005 0.000 0.417 141 W C 1.137 177.538 176.519 -0.195 0.000 1.029 141 W CA -0.147 57.032 57.345 -0.277 0.000 1.992 141 W CB 0.797 29.920 29.460 -0.562 0.000 1.122 141 W HN 0.837 nan 8.180 nan 0.000 0.681 142 G N 0.899 109.746 108.800 0.078 0.000 2.667 142 G HA2 0.291 4.255 3.960 0.006 0.000 0.250 142 G HA3 0.291 4.255 3.960 0.006 0.000 0.250 142 G C 0.092 175.029 174.900 0.060 0.000 1.212 142 G CA -0.654 44.502 45.100 0.094 0.000 0.874 142 G HN -0.015 nan 8.290 nan 0.000 0.561 143 L N -0.156 121.116 121.223 0.080 0.000 2.543 143 L HA 0.038 4.381 4.340 0.006 0.000 0.285 143 L C 1.980 178.883 176.870 0.055 0.000 1.236 143 L CA 0.547 55.430 54.840 0.070 0.000 0.871 143 L CB 0.527 42.649 42.059 0.105 0.000 1.121 143 L HN 0.800 nan 8.230 nan 0.000 0.501 144 T N -0.780 113.798 114.554 0.039 0.000 3.040 144 T HA 0.128 4.482 4.350 0.006 0.000 0.250 144 T C 0.543 175.270 174.700 0.046 0.000 1.058 144 T CA -0.256 61.862 62.100 0.029 0.000 0.988 144 T CB 0.183 69.058 68.868 0.011 0.000 0.993 144 T HN 0.608 nan 8.240 nan 0.000 0.519 145 R N -0.177 120.359 120.500 0.061 0.000 2.522 145 R HA 0.460 4.804 4.340 0.006 0.000 0.283 145 R C -1.772 174.590 176.300 0.104 0.000 1.074 145 R CA -0.839 55.306 56.100 0.075 0.000 0.925 145 R CB 1.396 31.720 30.300 0.040 0.000 1.205 145 R HN 0.228 nan 8.270 nan 0.000 0.436 150 N N 1.052 119.759 118.700 0.011 0.000 2.404 150 N HA 0.577 5.321 4.740 0.006 0.000 0.297 150 N C 0.194 175.710 175.510 0.010 0.000 1.163 150 N CA 0.713 53.775 53.050 0.020 0.000 0.864 150 N CB 1.526 40.022 38.487 0.016 0.000 1.247 150 N HN 0.304 nan 8.380 nan 0.000 0.510 151 T N -0.282 114.271 114.554 -0.001 0.000 2.860 151 T HA 0.368 4.721 4.350 0.006 0.000 0.299 151 T C -2.270 172.417 174.700 -0.021 0.000 1.045 151 T CA -1.101 60.992 62.100 -0.011 0.000 1.071 151 T CB 0.635 69.473 68.868 -0.050 0.000 0.985 151 T HN 0.422 nan 8.240 nan 0.000 0.537 152 P HA 0.278 nan 4.420 nan 0.000 0.275 152 P C -0.056 177.246 177.300 0.003 0.000 1.228 152 P CA -0.342 62.755 63.100 -0.005 0.000 0.786 152 P CB 0.824 32.520 31.700 -0.008 0.000 0.927 153 D N 1.293 121.668 120.400 -0.041 0.000 2.149 153 D HA -0.043 4.601 4.640 0.006 0.000 0.201 153 D C 0.693 176.954 176.300 -0.064 0.000 0.972 153 D CA 1.335 55.283 54.000 -0.086 0.000 0.835 153 D CB 0.116 40.857 40.800 -0.098 0.000 0.966 153 D HN 0.402 nan 8.370 nan 0.000 0.476 154 R N 0.452 120.871 120.500 -0.136 0.000 2.368 154 R HA 0.341 4.684 4.340 0.006 0.000 0.302 154 R C -0.332 175.766 176.300 -0.337 0.000 1.002 154 R CA -1.048 54.794 56.100 -0.429 0.000 0.929 154 R CB 1.448 31.387 30.300 -0.600 0.000 1.073 154 R HN -0.039 nan 8.270 nan 0.000 0.464 155 L N 2.705 123.605 121.223 -0.539 0.000 2.615 155 L HA -0.106 4.238 4.340 0.006 0.000 0.284 155 L C -0.351 176.285 176.870 -0.391 0.000 1.237 155 L CA 1.209 55.549 54.840 -0.833 0.000 0.905 155 L CB 0.273 41.936 42.059 -0.660 0.000 1.149 155 L HN 0.485 nan 8.230 nan 0.000 0.499 156 Q N 4.407 123.952 119.800 -0.425 0.000 2.297 156 Q HA 0.523 4.867 4.340 0.006 0.000 0.269 156 Q C -1.050 174.800 176.000 -0.250 0.000 1.051 156 Q CA -0.608 55.062 55.803 -0.222 0.000 0.869 156 Q CB 2.048 30.683 28.738 -0.172 0.000 1.346 156 Q HN 0.776 nan 8.270 nan 0.000 0.457 157 Q N -1.081 118.624 119.800 -0.159 0.000 2.501 157 Q HA 0.902 5.245 4.340 0.006 0.000 0.288 157 Q C -1.765 174.158 176.000 -0.128 0.000 1.051 157 Q CA -1.219 54.454 55.803 -0.216 0.000 0.788 157 Q CB 2.236 30.905 28.738 -0.115 0.000 1.469 157 Q HN 0.549 nan 8.270 nan 0.000 0.416 158 A N 0.932 123.662 122.820 -0.150 0.000 2.540 158 A HA 0.639 4.963 4.320 0.006 0.000 0.297 158 A C -1.197 176.344 177.584 -0.072 0.000 1.056 158 A CA -0.668 51.323 52.037 -0.078 0.000 0.700 158 A CB 2.177 21.139 19.000 -0.063 0.000 1.280 158 A HN 0.562 nan 8.150 nan 0.000 0.398 159 S N 1.103 116.792 115.700 -0.018 0.000 2.554 159 S HA 0.792 5.265 4.470 0.006 0.000 0.278 159 S C -0.259 174.335 174.600 -0.009 0.000 1.242 159 S CA -0.352 57.851 58.200 0.006 0.000 1.051 159 S CB 0.545 63.775 63.200 0.050 0.000 0.986 159 S HN 1.267 nan 8.310 nan 0.000 0.502 160 L N 0.471 121.683 121.223 -0.019 0.000 2.582 160 L HA 0.759 5.103 4.340 0.006 0.000 0.257 160 L C -3.200 173.650 176.870 -0.033 0.000 0.974 160 L CA -2.269 52.554 54.840 -0.027 0.000 0.851 160 L CB 2.351 44.384 42.059 -0.043 0.000 1.424 160 L HN 0.335 nan 8.230 nan 0.000 0.412 161 P HA 0.365 nan 4.420 nan 0.000 0.286 161 P C -0.896 176.382 177.300 -0.037 0.000 1.261 161 P CA -0.445 62.644 63.100 -0.018 0.000 0.821 161 P CB 1.787 33.485 31.700 -0.003 0.000 1.013 162 L N 2.490 123.694 121.223 -0.032 0.000 2.397 162 L HA 0.320 4.664 4.340 0.006 0.000 0.271 162 L C 0.653 177.521 176.870 -0.004 0.000 1.148 162 L CA -0.546 54.271 54.840 -0.038 0.000 0.825 162 L CB 0.062 42.109 42.059 -0.020 0.000 1.117 162 L HN 0.236 nan 8.230 nan 0.000 0.456 163 L N 1.610 122.836 121.223 0.006 0.000 2.334 163 L HA 0.428 4.772 4.340 0.006 0.000 0.272 163 L C 0.384 177.277 176.870 0.037 0.000 1.020 163 L CA -0.622 54.233 54.840 0.025 0.000 0.812 163 L CB 1.966 44.047 42.059 0.036 0.000 1.264 163 L HN 0.675 nan 8.230 nan 0.000 0.439 164 S N 0.047 115.772 115.700 0.041 0.000 2.592 164 S HA 0.159 4.633 4.470 0.006 0.000 0.271 164 S C 0.759 175.394 174.600 0.058 0.000 1.326 164 S CA -0.750 57.477 58.200 0.046 0.000 1.024 164 S CB 0.893 64.117 63.200 0.040 0.000 0.921 164 S HN 0.610 nan 8.310 nan 0.000 0.527 165 N N 1.896 120.633 118.700 0.061 0.000 2.149 165 N HA -0.112 4.631 4.740 0.006 0.000 0.188 165 N C 1.616 177.174 175.510 0.081 0.000 1.019 165 N CA 1.803 54.898 53.050 0.075 0.000 0.857 165 N CB -1.000 37.529 38.487 0.069 0.000 0.997 165 N HN 0.752 nan 8.380 nan 0.000 0.426 166 T N 0.977 115.570 114.554 0.064 0.000 2.746 166 T HA -0.124 4.230 4.350 0.006 0.000 0.267 166 T C 1.715 176.454 174.700 0.065 0.000 1.039 166 T CA 1.026 63.162 62.100 0.060 0.000 1.142 166 T CB -0.296 68.599 68.868 0.045 0.000 0.866 166 T HN 0.446 nan 8.240 nan 0.000 0.444 167 N N -0.349 118.388 118.700 0.061 0.000 2.188 167 N HA -0.125 4.619 4.740 0.006 0.000 0.184 167 N C 2.259 177.821 175.510 0.086 0.000 1.018 167 N CA 1.052 54.137 53.050 0.060 0.000 0.858 167 N CB -0.218 38.296 38.487 0.046 0.000 0.989 167 N HN 0.347 nan 8.380 nan 0.000 0.426 168 c N 1.542 120.208 118.600 0.111 0.000 2.432 168 c HA -0.001 4.573 4.570 0.006 0.000 0.277 168 c C 2.313 176.543 174.090 0.233 0.000 1.249 168 c CA 0.881 57.317 56.329 0.179 0.000 1.725 168 c CB -0.916 41.703 42.510 0.183 0.000 2.028 168 c HN 0.437 nan 8.230 nan 0.000 0.477 169 K N 0.310 120.823 120.400 0.188 0.000 2.360 169 K HA -0.126 4.197 4.320 0.006 0.000 0.201 169 K C 1.911 178.590 176.600 0.131 0.000 1.046 169 K CA 1.029 57.427 56.287 0.185 0.000 0.945 169 K CB -0.145 32.436 32.500 0.136 0.000 0.750 169 K HN 0.574 nan 8.250 nan 0.000 0.464 170 K N -0.475 119.988 120.400 0.104 0.000 2.360 170 K HA -0.182 4.142 4.320 0.006 0.000 0.201 170 K C 1.436 178.065 176.600 0.049 0.000 1.046 170 K CA 1.211 57.536 56.287 0.063 0.000 0.945 170 K CB 0.013 32.547 32.500 0.057 0.000 0.750 170 K HN 0.246 nan 8.250 nan 0.000 0.464 171 Y N -1.580 118.669 120.300 -0.085 0.000 2.569 171 Y HA 0.016 4.569 4.550 0.005 0.000 0.278 171 Y C 1.101 176.852 175.900 -0.248 0.000 1.130 171 Y CA 0.263 58.208 58.100 -0.259 0.000 1.280 171 Y CB 0.107 38.289 38.460 -0.465 0.000 1.379 171 Y HN -0.028 nan 8.280 nan 0.000 0.508 172 W N 1.454 122.907 121.300 0.256 0.000 3.047 172 W HA 0.295 4.958 4.660 0.005 0.000 0.250 172 W C 1.715 178.306 176.519 0.121 0.000 1.314 172 W CA 0.780 58.255 57.345 0.216 0.000 1.540 172 W CB -0.330 29.325 29.460 0.324 0.000 1.127 172 W HN 0.448 nan 8.180 nan 0.000 0.679 173 G N 1.419 110.370 108.800 0.252 0.000 2.634 173 G HA2 -0.497 3.466 3.960 0.006 0.000 0.309 173 G HA3 -0.497 3.466 3.960 0.006 0.000 0.309 173 G C 0.998 176.005 174.900 0.179 0.000 1.265 173 G CA 1.832 47.029 45.100 0.162 0.000 0.998 173 G HN 0.303 nan 8.290 nan 0.000 0.551 174 T N -0.849 113.782 114.554 0.128 0.000 3.163 174 T HA 0.183 4.536 4.350 0.006 0.000 0.260 174 T C 1.773 176.544 174.700 0.118 0.000 1.156 174 T CA 1.619 63.782 62.100 0.105 0.000 1.072 174 T CB 0.048 68.952 68.868 0.061 0.000 0.937 174 T HN 0.469 nan 8.240 nan 0.000 0.528 175 K N 0.819 121.328 120.400 0.183 0.000 2.366 175 K HA 0.186 4.510 4.320 0.006 0.000 0.198 175 K C 0.652 177.394 176.600 0.236 0.000 1.044 175 K CA 0.111 56.496 56.287 0.164 0.000 0.973 175 K CB -0.056 32.575 32.500 0.217 0.000 0.767 175 K HN 0.429 nan 8.250 nan 0.000 0.475 176 I N 3.056 123.781 120.570 0.259 0.000 2.379 176 I HA 0.039 4.212 4.170 0.006 0.000 0.290 176 I C 0.593 176.799 176.117 0.148 0.000 1.063 176 I CA -0.212 61.222 61.300 0.224 0.000 1.351 176 I CB 0.394 38.513 38.000 0.197 0.000 1.410 176 I HN -0.174 nan 8.210 nan 0.000 0.505 177 K N 4.619 125.101 120.400 0.137 0.000 2.210 177 K HA 0.225 4.548 4.320 0.006 0.000 0.236 177 K C 0.875 177.523 176.600 0.080 0.000 1.016 177 K CA -0.575 55.766 56.287 0.090 0.000 0.913 177 K CB 0.837 33.379 32.500 0.070 0.000 1.141 177 K HN 0.458 nan 8.250 nan 0.000 0.462 178 D N -0.291 120.145 120.400 0.060 0.000 2.263 178 D HA -0.117 4.526 4.640 0.006 0.000 0.208 178 D C 0.740 177.076 176.300 0.059 0.000 0.971 178 D CA 0.956 54.989 54.000 0.056 0.000 0.867 178 D CB -0.075 40.751 40.800 0.044 0.000 0.929 178 D HN 0.385 nan 8.370 nan 0.000 0.492 179 A N -0.442 122.416 122.820 0.063 0.000 2.577 179 A HA 0.443 4.766 4.320 0.006 0.000 0.280 179 A C 0.400 178.034 177.584 0.082 0.000 1.331 179 A CA -0.482 51.594 52.037 0.066 0.000 0.935 179 A CB -0.445 18.587 19.000 0.053 0.000 1.082 179 A HN 0.172 nan 8.150 nan 0.000 0.525 180 M N -0.197 119.454 119.600 0.084 0.000 2.535 180 M HA 0.613 5.097 4.480 0.006 0.000 0.314 180 M C -0.905 175.430 176.300 0.059 0.000 1.153 180 M CA -0.410 54.937 55.300 0.078 0.000 0.924 180 M CB 2.513 35.168 32.600 0.092 0.000 1.710 180 M HN 0.254 nan 8.290 nan 0.000 0.451 181 I N 0.915 121.516 120.570 0.052 0.000 2.619 181 I HA 0.547 4.720 4.170 0.006 0.000 0.292 181 I C -1.400 174.755 176.117 0.062 0.000 1.100 181 I CA -0.486 60.842 61.300 0.048 0.000 1.043 181 I CB 1.498 39.516 38.000 0.031 0.000 1.239 181 I HN 0.786 nan 8.210 nan 0.000 0.420 182 c N 5.753 124.380 118.600 0.046 0.000 2.358 182 c HA 1.017 5.590 4.570 0.006 0.000 0.354 182 c C 0.244 174.357 174.090 0.038 0.000 1.183 182 c CA -0.258 56.113 56.329 0.070 0.000 2.150 182 c CB 0.758 43.304 42.510 0.061 0.000 2.361 182 c HN 0.875 nan 8.230 nan 0.000 0.535 183 A N 0.846 123.710 122.820 0.074 0.000 2.605 183 A HA 0.907 5.231 4.320 0.006 0.000 0.294 183 A C -0.156 177.461 177.584 0.054 0.000 1.062 183 A CA 0.441 52.465 52.037 -0.021 0.000 0.682 183 A CB 0.736 19.584 19.000 -0.253 0.000 1.278 183 A HN 2.616 nan 8.150 nan 0.000 0.410 184 G N -0.095 108.710 108.800 0.008 0.000 2.443 184 G HA2 0.501 4.464 3.960 0.006 0.000 0.209 184 G HA3 0.501 4.464 3.960 0.006 0.000 0.209 184 G C 0.865 175.763 174.900 -0.002 0.000 1.176 184 G CA 1.635 46.745 45.100 0.017 0.000 1.074 184 G HN 2.696 nan 8.290 nan 0.000 0.577 185 A N -1.936 120.873 122.820 -0.017 0.000 2.816 185 A HA 0.088 4.412 4.320 0.006 0.000 0.270 185 A C 1.616 179.179 177.584 -0.035 0.000 1.413 185 A CA 2.737 54.744 52.037 -0.051 0.000 0.866 185 A CB -2.158 16.801 19.000 -0.069 0.000 1.032 185 A HN 2.633 nan 8.150 nan 0.000 0.642 186 S N -2.501 113.187 115.700 -0.020 0.000 2.663 186 S HA 0.516 4.990 4.470 0.006 0.000 0.243 186 S C 1.624 176.218 174.600 -0.010 0.000 1.009 186 S CA 1.000 59.192 58.200 -0.013 0.000 0.988 186 S CB 0.365 63.560 63.200 -0.008 0.000 0.896 186 S HN 2.441 nan 8.310 nan 0.000 0.502 187 G N 0.405 109.197 108.800 -0.013 0.000 2.184 187 G HA2 -0.175 3.788 3.960 0.006 0.000 0.206 187 G HA3 -0.175 3.788 3.960 0.006 0.000 0.206 187 G C 0.015 174.913 174.900 -0.004 0.000 0.995 187 G CA 0.016 45.111 45.100 -0.008 0.000 0.651 187 G HN 1.593 nan 8.290 nan 0.000 0.511 188 V N -2.716 117.195 119.914 -0.005 0.000 3.141 188 V HA 0.991 5.115 4.120 0.006 0.000 0.312 188 V C -0.263 175.833 176.094 0.003 0.000 1.157 188 V CA -0.167 62.133 62.300 -0.001 0.000 1.041 188 V CB 1.843 33.664 31.823 -0.005 0.000 1.071 188 V HN 1.587 nan 8.190 nan 0.000 0.441 189 S N 0.407 116.113 115.700 0.009 0.000 2.542 189 S HA 0.593 5.066 4.470 0.006 0.000 0.276 189 S C -0.517 174.093 174.600 0.018 0.000 1.148 189 S CA -0.234 57.975 58.200 0.015 0.000 0.886 189 S CB 1.841 65.042 63.200 0.002 0.000 1.109 189 S HN 1.277 nan 8.310 nan 0.000 0.458 190 S N 1.867 117.579 115.700 0.021 0.000 2.600 190 S HA 0.677 5.151 4.470 0.006 0.000 0.265 190 S C -0.063 174.542 174.600 0.009 0.000 1.325 190 S CA -0.323 57.883 58.200 0.010 0.000 1.002 190 S CB 1.009 64.196 63.200 -0.022 0.000 0.921 190 S HN 0.898 nan 8.310 nan 0.000 0.554 191 c N 1.416 120.037 118.600 0.034 0.000 3.314 191 c HA 0.488 5.062 4.570 0.006 0.000 0.344 191 c C -0.394 173.758 174.090 0.105 0.000 1.461 191 c CA -1.000 55.371 56.329 0.071 0.000 1.249 191 c CB 1.108 43.676 42.510 0.097 0.000 1.632 191 c HN 0.976 nan 8.230 nan 0.000 0.452 192 M N 2.190 121.877 119.600 0.145 0.000 2.394 192 M HA 0.280 4.763 4.480 0.006 0.000 0.394 192 M C 1.184 177.586 176.300 0.170 0.000 1.611 192 M CA 2.498 57.899 55.300 0.168 0.000 0.941 192 M CB -0.410 32.305 32.600 0.193 0.000 2.094 192 M HN 1.372 nan 8.290 nan 0.000 0.485 193 G N 3.490 112.406 108.800 0.194 0.000 2.238 193 G HA2 -0.199 3.764 3.960 0.006 0.000 0.217 193 G HA3 -0.199 3.764 3.960 0.006 0.000 0.217 193 G C 0.351 175.419 174.900 0.279 0.000 0.996 193 G CA 0.160 45.413 45.100 0.254 0.000 0.632 193 G HN 0.719 nan 8.290 nan 0.000 0.503 194 D N 0.943 121.447 120.400 0.173 0.000 2.305 194 D HA 0.183 4.827 4.640 0.006 0.000 0.206 194 D C 1.460 177.823 176.300 0.106 0.000 0.974 194 D CA 0.733 54.808 54.000 0.126 0.000 0.871 194 D CB 0.064 40.900 40.800 0.061 0.000 0.947 194 D HN 0.329 nan 8.370 nan 0.000 0.516 195 S N -0.599 115.176 115.700 0.125 0.000 2.571 195 S HA 0.208 4.682 4.470 0.006 0.000 0.298 195 S C 1.550 176.173 174.600 0.039 0.000 1.280 195 S CA 1.038 59.317 58.200 0.133 0.000 1.052 195 S CB 0.662 64.043 63.200 0.303 0.000 0.799 195 S HN 0.502 nan 8.310 nan 0.000 0.501 196 G N 2.180 110.990 108.800 0.016 0.000 2.234 196 G HA2 -0.216 3.747 3.960 0.006 0.000 0.260 196 G HA3 -0.216 3.747 3.960 0.006 0.000 0.260 196 G C 0.482 175.406 174.900 0.041 0.000 0.987 196 G CA 0.189 45.283 45.100 -0.011 0.000 0.625 196 G HN 1.154 nan 8.290 nan 0.000 0.532 197 G N 0.833 109.669 108.800 0.060 0.000 2.651 197 G HA2 0.575 4.538 3.960 0.006 0.000 0.260 197 G HA3 0.575 4.538 3.960 0.006 0.000 0.260 197 G C -1.838 173.104 174.900 0.070 0.000 1.216 197 G CA -0.103 45.035 45.100 0.065 0.000 0.913 197 G HN 0.412 nan 8.290 nan 0.000 0.535 198 P HA 0.362 nan 4.420 nan 0.000 0.282 198 P C -1.207 176.063 177.300 -0.051 0.000 1.259 198 P CA -0.597 62.516 63.100 0.021 0.000 0.826 198 P CB 2.084 33.833 31.700 0.082 0.000 1.064 199 L N 3.761 124.925 121.223 -0.098 0.000 2.427 199 L HA 0.393 4.736 4.340 0.006 0.000 0.264 199 L C -0.859 175.893 176.870 -0.196 0.000 0.989 199 L CA -0.839 53.865 54.840 -0.227 0.000 0.865 199 L CB 1.038 42.845 42.059 -0.421 0.000 1.209 199 L HN 0.206 nan 8.230 nan 0.000 0.430 200 V N 1.446 121.280 119.914 -0.133 0.000 2.715 200 V HA 0.878 5.001 4.120 0.006 0.000 0.310 200 V C -0.249 175.958 176.094 0.188 0.000 1.054 200 V CA -0.577 61.728 62.300 0.008 0.000 0.928 200 V CB 1.330 33.245 31.823 0.153 0.000 1.007 200 V HN 0.820 nan 8.190 nan 0.000 0.437 201 c N 2.418 121.101 118.600 0.138 0.000 2.994 201 c HA 0.613 5.187 4.570 0.006 0.000 0.304 201 c C -0.052 174.059 174.090 0.036 0.000 1.273 201 c CA -1.046 55.353 56.329 0.117 0.000 1.537 201 c CB 1.825 44.285 42.510 -0.083 0.000 2.001 201 c HN 1.000 nan 8.230 nan 0.000 0.471 202 K N 1.380 121.664 120.400 -0.193 0.000 2.249 202 K HA 0.363 4.686 4.320 0.006 0.000 0.280 202 K C -0.321 176.235 176.600 -0.072 0.000 1.033 202 K CA -0.004 56.076 56.287 -0.346 0.000 0.946 202 K CB 0.750 32.904 32.500 -0.577 0.000 1.005 202 K HN 0.576 nan 8.250 nan 0.000 0.469 203 K N 3.569 123.938 120.400 -0.051 0.000 2.621 203 K HA 0.092 4.415 4.320 0.006 0.000 0.233 203 K C -1.024 175.551 176.600 -0.041 0.000 0.972 203 K CA -0.329 55.969 56.287 0.018 0.000 0.988 203 K CB 0.280 32.851 32.500 0.118 0.000 1.187 203 K HN 0.614 nan 8.250 nan 0.000 0.471 204 N N 2.812 121.475 118.700 -0.062 0.000 2.780 204 N HA -0.169 4.575 4.740 0.006 0.000 0.247 204 N C 0.465 175.930 175.510 -0.076 0.000 1.076 204 N CA 1.346 54.359 53.050 -0.060 0.000 0.688 204 N CB -1.340 37.122 38.487 -0.041 0.000 0.957 204 N HN 1.085 nan 8.380 nan 0.000 0.551 205 G N -2.092 106.636 108.800 -0.121 0.000 2.184 205 G HA2 -0.121 3.842 3.960 0.006 0.000 0.264 205 G HA3 -0.121 3.842 3.960 0.006 0.000 0.264 205 G C 0.167 174.962 174.900 -0.174 0.000 0.975 205 G CA 0.926 45.940 45.100 -0.144 0.000 0.642 205 G HN 1.310 nan 8.290 nan 0.000 0.536 206 A N -0.802 121.923 122.820 -0.159 0.000 2.355 206 A HA 0.693 5.016 4.320 0.006 0.000 0.324 206 A C -0.395 177.097 177.584 -0.153 0.000 1.117 206 A CA -0.712 51.263 52.037 -0.103 0.000 0.785 206 A CB 0.830 19.824 19.000 -0.010 0.000 1.254 206 A HN 0.602 nan 8.150 nan 0.000 0.453 207 W N 1.369 122.691 121.300 0.037 0.000 2.304 207 W HA 0.468 5.132 4.660 0.006 0.000 0.313 207 W C 0.059 176.458 176.519 -0.199 0.000 1.323 207 W CA 0.530 57.866 57.345 -0.014 0.000 1.223 207 W CB 1.375 30.915 29.460 0.133 0.000 1.237 207 W HN 0.570 nan 8.180 nan 0.000 0.535 208 T N 4.436 119.027 114.554 0.062 0.000 2.841 208 T HA 0.275 4.628 4.350 0.006 0.000 0.283 208 T C -0.907 173.702 174.700 -0.151 0.000 1.000 208 T CA -0.850 61.214 62.100 -0.060 0.000 0.977 208 T CB 1.275 70.167 68.868 0.040 0.000 0.979 208 T HN 0.151 nan 8.240 nan 0.000 0.446 209 L N 4.753 125.862 121.223 -0.190 0.000 2.485 209 L HA 0.214 4.558 4.340 0.006 0.000 0.279 209 L C 0.813 177.559 176.870 -0.206 0.000 1.124 209 L CA 0.578 55.304 54.840 -0.189 0.000 0.888 209 L CB 0.008 41.978 42.059 -0.148 0.000 1.217 209 L HN 0.609 nan 8.230 nan 0.000 0.464 210 V N 4.171 123.903 119.914 -0.303 0.000 2.949 210 V HA 0.420 4.543 4.120 0.006 0.000 0.245 210 V C 1.054 177.027 176.094 -0.203 0.000 1.086 210 V CA 0.829 62.891 62.300 -0.397 0.000 1.097 210 V CB 0.041 31.449 31.823 -0.692 0.000 0.762 210 V HN 0.842 nan 8.190 nan 0.000 0.470 211 G N -0.656 108.048 108.800 -0.160 0.000 2.672 211 G HA2 0.716 4.679 3.960 0.006 0.000 0.292 211 G HA3 0.716 4.679 3.960 0.006 0.000 0.292 211 G C -1.640 173.296 174.900 0.060 0.000 1.375 211 G CA -0.558 44.519 45.100 -0.039 0.000 0.890 211 G HN 0.032 nan 8.290 nan 0.000 0.476 212 I N 0.901 121.572 120.570 0.169 0.000 2.466 212 I HA 0.239 4.412 4.170 0.006 0.000 0.289 212 I C 0.066 176.306 176.117 0.206 0.000 1.026 212 I CA -1.041 60.355 61.300 0.159 0.000 1.078 212 I CB 2.248 40.309 38.000 0.101 0.000 1.249 212 I HN 0.144 nan 8.210 nan 0.000 0.429 213 V N 5.213 125.236 119.914 0.183 0.000 2.539 213 V HA -0.071 4.053 4.120 0.006 0.000 0.300 213 V C 0.851 176.934 176.094 -0.018 0.000 1.019 213 V CA 0.856 63.129 62.300 -0.044 0.000 1.160 213 V CB 0.660 32.487 31.823 0.007 0.000 0.901 213 V HN 0.983 nan 8.190 nan 0.000 0.481 214 S N 4.821 120.416 115.700 -0.175 0.000 3.393 214 S HA 0.387 4.861 4.470 0.006 0.000 0.209 214 S C -0.106 174.511 174.600 0.027 0.000 0.897 214 S CA 0.050 58.299 58.200 0.081 0.000 0.825 214 S CB 0.581 63.836 63.200 0.091 0.000 0.898 214 S HN 0.892 nan 8.310 nan 0.000 0.615 215 W N -0.208 120.908 121.300 -0.307 0.000 2.988 215 W HA 0.632 5.295 4.660 0.004 0.000 0.355 215 W C -0.205 176.106 176.519 -0.346 0.000 1.233 215 W CA -0.387 56.766 57.345 -0.320 0.000 1.176 215 W CB 0.251 29.508 29.460 -0.338 0.000 1.477 215 W HN 0.618 nan 8.180 nan 0.000 0.582 216 G N 0.335 109.153 108.800 0.031 0.000 2.441 216 G HA2 0.286 4.250 3.960 0.006 0.000 0.225 216 G HA3 0.286 4.250 3.960 0.006 0.000 0.225 216 G C -1.056 174.016 174.900 0.285 0.000 1.200 216 G CA -0.165 44.889 45.100 -0.076 0.000 0.947 216 G HN 0.820 nan 8.290 nan 0.000 0.484 217 S N -0.090 115.821 115.700 0.351 0.000 2.558 217 S HA 0.273 4.746 4.470 0.006 0.000 0.293 217 S C 1.497 176.162 174.600 0.108 0.000 1.292 217 S CA 0.804 59.183 58.200 0.299 0.000 1.063 217 S CB 0.612 63.872 63.200 0.100 0.000 0.831 217 S HN 0.846 nan 8.310 nan 0.000 0.499 218 S N 2.781 118.538 115.700 0.095 0.000 2.555 218 S HA -0.009 4.465 4.470 0.006 0.000 0.230 218 S C 1.457 175.842 174.600 -0.358 0.000 0.978 218 S CA 0.985 59.165 58.200 -0.033 0.000 0.934 218 S CB -0.168 63.057 63.200 0.041 0.000 0.766 218 S HN 0.970 nan 8.310 nan 0.000 0.533 219 T N -3.154 111.124 114.554 -0.460 0.000 3.170 219 T HA 0.198 4.552 4.350 0.006 0.000 0.288 219 T C 0.538 174.878 174.700 -0.600 0.000 0.992 219 T CA -0.144 61.341 62.100 -1.025 0.000 0.909 219 T CB -0.860 67.719 68.868 -0.482 0.000 1.133 219 T HN 0.205 nan 8.240 nan 0.000 0.530 220 c N 1.929 120.350 118.600 -0.299 0.000 4.235 220 c HA -0.149 4.425 4.570 0.006 0.000 0.301 220 c C 1.040 175.094 174.090 -0.060 0.000 1.409 220 c CA 0.367 56.634 56.329 -0.104 0.000 2.024 220 c CB -3.288 39.209 42.510 -0.021 0.000 1.286 220 c HN 0.917 nan 8.230 nan 0.000 0.746 221 S N 0.853 116.510 115.700 -0.071 0.000 2.537 221 S HA 0.301 4.774 4.470 0.006 0.000 0.286 221 S C 1.475 176.045 174.600 -0.050 0.000 1.299 221 S CA 0.679 58.846 58.200 -0.055 0.000 1.067 221 S CB 0.804 63.961 63.200 -0.072 0.000 0.864 221 S HN 0.966 nan 8.310 nan 0.000 0.494 222 T N 1.152 115.686 114.554 -0.034 0.000 3.160 222 T HA 0.026 4.380 4.350 0.006 0.000 0.257 222 T C 1.231 175.901 174.700 -0.050 0.000 1.147 222 T CA 0.633 62.715 62.100 -0.030 0.000 1.064 222 T CB -0.363 68.497 68.868 -0.013 0.000 0.949 222 T HN 0.634 nan 8.240 nan 0.000 0.526 223 S N 0.566 116.218 115.700 -0.079 0.000 2.554 223 S HA 0.236 4.709 4.470 0.006 0.000 0.226 223 S C 0.702 175.186 174.600 -0.194 0.000 0.980 223 S CA -0.319 57.820 58.200 -0.102 0.000 0.939 223 S CB -0.189 62.964 63.200 -0.080 0.000 0.832 223 S HN 0.690 nan 8.310 nan 0.000 0.486 224 T N -0.132 114.278 114.554 -0.241 0.000 2.918 224 T HA 0.672 5.026 4.350 0.006 0.000 0.286 224 T C -3.463 171.111 174.700 -0.210 0.000 1.026 224 T CA -2.532 59.298 62.100 -0.451 0.000 1.031 224 T CB 1.250 69.738 68.868 -0.634 0.000 1.046 224 T HN -0.145 nan 8.240 nan 0.000 0.479 225 P HA 0.345 nan 4.420 nan 0.000 0.271 225 P C 0.250 177.640 177.300 0.151 0.000 1.220 225 P CA 0.017 63.157 63.100 0.067 0.000 0.768 225 P CB 0.341 32.138 31.700 0.163 0.000 0.848 226 G N 2.096 110.933 108.800 0.062 0.000 2.400 226 G HA2 0.492 4.456 3.960 0.006 0.000 0.301 226 G HA3 0.492 4.456 3.960 0.006 0.000 0.301 226 G C -0.874 173.888 174.900 -0.230 0.000 1.154 226 G CA -0.387 44.663 45.100 -0.083 0.000 0.852 226 G HN 0.338 nan 8.290 nan 0.000 0.511 227 V N 1.554 121.017 119.914 -0.753 0.000 2.513 227 V HA 0.543 4.667 4.120 0.006 0.000 0.299 227 V C -0.981 174.624 176.094 -0.816 0.000 1.035 227 V CA -0.683 61.111 62.300 -0.843 0.000 0.889 227 V CB 0.980 31.720 31.823 -1.805 0.000 0.988 227 V HN 0.641 nan 8.190 nan 0.000 0.440 228 Y N 1.177 121.300 120.300 -0.294 0.000 2.576 228 Y HA 0.741 5.294 4.550 0.006 0.000 0.346 228 Y C 0.419 176.280 175.900 -0.066 0.000 1.018 228 Y CA -1.089 56.926 58.100 -0.141 0.000 1.050 228 Y CB 1.774 40.168 38.460 -0.109 0.000 1.280 228 Y HN 0.724 nan 8.280 nan 0.000 0.474 229 A N 2.193 125.095 122.820 0.138 0.000 2.454 229 A HA 0.338 4.661 4.320 0.006 0.000 0.260 229 A C 0.258 177.900 177.584 0.097 0.000 1.106 229 A CA -0.531 51.574 52.037 0.114 0.000 0.780 229 A CB -0.030 19.034 19.000 0.106 0.000 1.044 229 A HN 0.781 nan 8.150 nan 0.000 0.498 230 R N 3.540 124.088 120.500 0.080 0.000 2.309 230 R HA 0.239 4.582 4.340 0.006 0.000 0.331 230 R C 0.441 176.780 176.300 0.065 0.000 1.116 230 R CA -0.292 55.846 56.100 0.064 0.000 0.970 230 R CB 0.146 30.486 30.300 0.068 0.000 1.024 230 R HN 0.568 nan 8.270 nan 0.000 0.472 231 V N 3.314 123.258 119.914 0.049 0.000 2.392 231 V HA -0.283 3.840 4.120 0.006 0.000 0.249 231 V C 2.408 178.553 176.094 0.085 0.000 1.059 231 V CA 2.393 64.730 62.300 0.062 0.000 1.051 231 V CB -0.697 31.142 31.823 0.026 0.000 0.658 231 V HN 0.940 nan 8.190 nan 0.000 0.455 232 T N -0.842 113.772 114.554 0.099 0.000 2.803 232 T HA -0.144 4.209 4.350 0.006 0.000 0.269 232 T C 1.742 176.498 174.700 0.093 0.000 1.052 232 T CA 1.463 63.632 62.100 0.115 0.000 1.136 232 T CB -0.420 68.538 68.868 0.150 0.000 0.864 232 T HN 0.501 nan 8.240 nan 0.000 0.467 233 A N 0.489 123.360 122.820 0.086 0.000 2.208 233 A HA 0.505 4.829 4.320 0.006 0.000 0.209 233 A C 1.990 179.626 177.584 0.087 0.000 1.161 233 A CA 0.358 52.441 52.037 0.077 0.000 0.782 233 A CB -0.375 18.665 19.000 0.066 0.000 0.816 233 A HN 0.581 nan 8.150 nan 0.000 0.477 234 L N -1.942 119.346 121.223 0.107 0.000 2.966 234 L HA 0.171 4.514 4.340 0.006 0.000 0.262 234 L C 1.810 178.818 176.870 0.230 0.000 1.165 234 L CA 0.024 54.958 54.840 0.156 0.000 0.978 234 L CB 0.586 42.716 42.059 0.118 0.000 1.337 234 L HN 0.142 nan 8.230 nan 0.000 0.563 235 V N 0.836 120.840 119.914 0.150 0.000 2.626 235 V HA -0.194 3.930 4.120 0.006 0.000 0.252 235 V C 2.088 178.231 176.094 0.082 0.000 1.067 235 V CA 1.893 64.260 62.300 0.111 0.000 1.081 235 V CB -0.181 31.683 31.823 0.068 0.000 0.686 235 V HN 0.519 nan 8.190 nan 0.000 0.468 236 N N -0.609 118.151 118.700 0.100 0.000 2.188 236 N HA -0.206 4.537 4.740 0.006 0.000 0.184 236 N C 1.387 176.943 175.510 0.076 0.000 1.018 236 N CA 1.887 54.976 53.050 0.064 0.000 0.858 236 N CB -0.527 38.003 38.487 0.073 0.000 0.989 236 N HN 0.825 nan 8.380 nan 0.000 0.426 237 W N 1.838 123.127 121.300 -0.018 0.000 2.388 237 W HA -0.079 4.585 4.660 0.006 0.000 0.294 237 W C 1.804 178.288 176.519 -0.059 0.000 1.212 237 W CA 0.778 58.112 57.345 -0.018 0.000 1.271 237 W CB -0.310 29.158 29.460 0.014 0.000 1.126 237 W HN -0.240 nan 8.180 nan 0.000 0.535 238 V N 1.282 121.144 119.914 -0.086 0.000 2.261 238 V HA -0.340 3.783 4.120 0.006 0.000 0.246 238 V C 2.634 178.447 176.094 -0.468 0.000 1.047 238 V CA 2.208 64.285 62.300 -0.372 0.000 1.015 238 V CB -1.100 30.675 31.823 -0.080 0.000 0.642 238 V HN 0.178 nan 8.190 nan 0.000 0.446 239 Q N -0.089 119.543 119.800 -0.281 0.000 2.096 239 Q HA -0.259 4.084 4.340 0.006 0.000 0.204 239 Q C 2.260 178.065 176.000 -0.326 0.000 0.982 239 Q CA 1.851 57.488 55.803 -0.276 0.000 0.850 239 Q CB -0.487 28.157 28.738 -0.157 0.000 0.901 239 Q HN 0.722 nan 8.270 nan 0.000 0.422 240 Q N -0.324 119.297 119.800 -0.299 0.000 2.084 240 Q HA -0.110 4.234 4.340 0.006 0.000 0.202 240 Q C 2.114 177.876 176.000 -0.398 0.000 0.978 240 Q CA 1.727 57.364 55.803 -0.277 0.000 0.844 240 Q CB -0.162 28.462 28.738 -0.191 0.000 0.898 240 Q HN 0.370 nan 8.270 nan 0.000 0.426 241 T N 1.185 115.355 114.554 -0.639 0.000 2.746 241 T HA -0.117 4.236 4.350 0.006 0.000 0.267 241 T C 1.731 175.956 174.700 -0.793 0.000 1.039 241 T CA 0.900 62.544 62.100 -0.760 0.000 1.142 241 T CB -0.136 68.049 68.868 -1.138 0.000 0.866 241 T HN 0.036 nan 8.240 nan 0.000 0.444 242 L N 1.219 121.898 121.223 -0.907 0.000 2.046 242 L HA 0.061 4.405 4.340 0.006 0.000 0.208 242 L C 2.820 179.395 176.870 -0.492 0.000 1.077 242 L CA 1.529 55.782 54.840 -0.979 0.000 0.747 242 L CB -1.222 40.282 42.059 -0.926 0.000 0.896 242 L HN 0.233 nan 8.230 nan 0.000 0.432 243 A N -0.718 121.884 122.820 -0.364 0.000 1.933 243 A HA -0.092 4.231 4.320 0.006 0.000 0.218 243 A C 2.254 179.749 177.584 -0.148 0.000 1.175 243 A CA 1.659 53.570 52.037 -0.211 0.000 0.628 243 A CB -0.774 18.122 19.000 -0.173 0.000 0.814 243 A HN 0.361 nan 8.150 nan 0.000 0.444 244 A N -1.120 121.600 122.820 -0.166 0.000 2.278 244 A HA 0.265 4.588 4.320 0.006 0.000 0.212 244 A C 0.623 178.190 177.584 -0.029 0.000 1.213 244 A CA -0.072 51.917 52.037 -0.081 0.000 0.840 244 A CB -0.171 18.789 19.000 -0.066 0.000 0.866 244 A HN 0.543 nan 8.150 nan 0.000 0.489 245 N N 0.000 118.672 118.700 -0.046 0.000 1.763 245 N HA 0.000 4.744 4.740 0.006 0.000 0.220 245 N CA 0.000 53.110 53.050 0.100 0.000 0.885 245 N CB 0.000 38.566 38.487 0.131 0.000 1.341 245 N HN 0.000 nan 8.380 nan 0.000 0.667