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 1owl_1_A DATA FIRST_RESID 3 DATA SEQUENCE APILFWHRRD LRLSDNIGLA AARAQSAQLI GLFCLDPQIL QSADMAPARV DATA SEQUENCE AYLQGCLQEL QQRYQQAGSR LLLLQGDPQH LIPQLAQQLQ AEAVYWNQDI DATA SEQUENCE EPYGRDRDGQ VAAALKTAGI RAVQLWDQLL HSPDQILSGS GNPYSVYGPF DATA SEQUENCE WKNWQAQPKP TPVATPTELV DLSPEQLTAI APLLLSELPT LKQLGFDWDG DATA SEQUENCE GFPVEPGETA AIARLQEFCD RAIADYDPQR NFPAEAGTSG LSPALKFGAI DATA SEQUENCE GIRQAWQAAS AAHALSRSDE ARNSIRVWQQ ELAWREFYQH ALYHFPSLAD DATA SEQUENCE GPYRSLWQQF PWENREALFT AWTQAQTGYP IVDAAMRQLT ETGWMHNRCR DATA SEQUENCE MIVASFLTKD LIIDWRRGEQ FFMQHLVDGD LAANNGGWQW SASSGMDPKP DATA SEQUENCE LRIFNPASQA KKFDATATYI KRWLPELRHV HPKDLISGEI TPIERRGYPA DATA SEQUENCE PIVNHNLRQK QFKALYNQLK AAI 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.606 177.584 0.037 0.000 1.274 3 A CA 0.000 52.055 52.037 0.030 0.000 0.836 3 A CB 0.000 19.018 19.000 0.029 0.000 0.831 4 P HA 0.681 nan 4.420 nan 0.000 0.278 4 P C -0.429 176.911 177.300 0.066 0.000 1.266 4 P CA -0.402 62.727 63.100 0.048 0.000 0.807 4 P CB 1.291 33.019 31.700 0.046 0.000 1.094 5 I N 0.713 121.328 120.570 0.076 0.000 2.433 5 I HA 0.311 4.481 4.170 -0.000 0.000 0.292 5 I C 0.129 176.330 176.117 0.140 0.000 1.001 5 I CA -0.996 60.370 61.300 0.109 0.000 1.119 5 I CB 1.574 39.610 38.000 0.060 0.000 1.289 5 I HN 0.116 nan 8.210 nan 0.000 0.438 6 L N 5.966 127.298 121.223 0.181 0.000 2.307 6 L HA 0.407 4.747 4.340 -0.000 0.000 0.282 6 L C -0.864 176.189 176.870 0.305 0.000 1.051 6 L CA -0.464 54.493 54.840 0.195 0.000 0.804 6 L CB 1.343 43.481 42.059 0.132 0.000 1.197 6 L HN 0.430 nan 8.230 nan 0.000 0.431 7 F N 3.200 123.272 119.950 0.204 0.000 2.427 7 F HA 0.324 4.851 4.527 -0.000 0.000 0.348 7 F C -0.787 175.199 175.800 0.311 0.000 1.125 7 F CA -0.749 57.398 58.000 0.246 0.000 0.989 7 F CB 1.016 40.109 39.000 0.155 0.000 1.165 7 F HN 0.411 nan 8.300 nan 0.000 0.442 8 W N 8.216 129.167 121.300 -0.581 0.000 2.357 8 W HA 0.340 4.999 4.660 -0.000 0.000 0.317 8 W C -0.930 175.324 176.519 -0.441 0.000 1.101 8 W CA -0.936 56.200 57.345 -0.348 0.000 1.380 8 W CB -0.252 29.059 29.460 -0.249 0.000 1.266 8 W HN 0.554 nan 8.180 nan 0.000 0.419 9 H N 4.654 123.858 119.070 0.224 0.000 2.525 9 H HA 0.384 4.939 4.556 -0.000 0.000 0.339 9 H C 0.606 176.006 175.328 0.120 0.000 1.109 9 H CA 0.249 56.461 56.048 0.273 0.000 1.352 9 H CB 1.576 31.663 29.762 0.542 0.000 1.461 9 H HN 0.393 nan 8.280 nan 0.000 0.533 10 R N 0.817 121.433 120.500 0.193 0.000 3.749 10 R HA 0.296 4.636 4.340 -0.000 0.000 0.142 10 R C 0.268 176.782 176.300 0.356 0.000 0.750 10 R CA -0.070 56.099 56.100 0.116 0.000 1.004 10 R CB 0.576 30.692 30.300 -0.307 0.000 1.509 10 R HN 0.367 nan 8.270 nan 0.000 0.494 11 R N 1.603 122.253 120.500 0.249 0.000 2.727 11 R HA 0.176 4.516 4.340 -0.000 0.000 0.410 11 R C -1.087 175.386 176.300 0.288 0.000 1.101 11 R CA 0.117 56.388 56.100 0.285 0.000 1.045 11 R CB 0.900 31.269 30.300 0.116 0.000 1.380 11 R HN 0.239 nan 8.270 nan 0.000 0.587 12 D N 0.069 120.687 120.400 0.364 0.000 2.879 12 D HA 0.039 4.679 4.640 -0.000 0.000 0.351 12 D C -0.083 176.501 176.300 0.473 0.000 1.239 12 D CA -0.410 53.815 54.000 0.375 0.000 0.771 12 D CB -0.116 40.909 40.800 0.375 0.000 1.176 12 D HN 0.074 nan 8.370 nan 0.000 0.496 13 L N 1.674 123.092 121.223 0.325 0.000 2.376 13 L HA 0.335 4.674 4.340 -0.000 0.000 0.250 13 L C 0.539 177.454 176.870 0.076 0.000 1.335 13 L CA -0.026 54.905 54.840 0.151 0.000 1.214 13 L CB -0.831 41.248 42.059 0.032 0.000 1.395 13 L HN 0.225 nan 8.230 nan 0.000 0.424 14 R N 0.161 120.733 120.500 0.121 0.000 2.712 14 R HA 0.365 4.705 4.340 -0.000 0.000 0.272 14 R C -0.657 175.683 176.300 0.066 0.000 1.032 14 R CA -1.024 55.111 56.100 0.059 0.000 0.874 14 R CB 1.143 31.490 30.300 0.079 0.000 1.256 14 R HN -0.004 nan 8.270 nan 0.000 0.468 15 L N 0.745 121.948 121.223 -0.034 0.000 2.515 15 L HA 0.234 4.574 4.340 -0.000 0.000 0.223 15 L C 0.317 177.140 176.870 -0.078 0.000 1.079 15 L CA 0.912 55.687 54.840 -0.108 0.000 0.857 15 L CB 0.586 42.511 42.059 -0.222 0.000 1.050 15 L HN 0.826 nan 8.230 nan 0.000 0.476 16 S N -1.472 114.206 115.700 -0.036 0.000 2.632 16 S HA 0.237 4.707 4.470 -0.000 0.000 0.271 16 S C 0.373 174.977 174.600 0.006 0.000 1.260 16 S CA -0.273 57.915 58.200 -0.020 0.000 1.010 16 S CB 1.017 64.215 63.200 -0.004 0.000 0.965 16 S HN 0.278 nan 8.310 nan 0.000 0.534 17 D N 0.582 120.986 120.400 0.007 0.000 2.720 17 D HA -0.231 4.409 4.640 -0.000 0.000 0.229 17 D C -0.703 175.618 176.300 0.034 0.000 1.198 17 D CA 0.758 54.774 54.000 0.027 0.000 0.639 17 D CB -1.470 39.362 40.800 0.054 0.000 1.003 17 D HN 0.619 nan 8.370 nan 0.000 0.411 18 N N 1.669 120.367 118.700 -0.003 0.000 2.479 18 N HA 0.109 4.849 4.740 -0.000 0.000 0.261 18 N C 1.350 176.843 175.510 -0.029 0.000 0.979 18 N CA -0.759 52.287 53.050 -0.007 0.000 0.930 18 N CB 0.627 39.067 38.487 -0.079 0.000 1.172 18 N HN -0.005 nan 8.380 nan 0.000 0.499 19 I N 2.551 123.146 120.570 0.042 0.000 2.091 19 I HA -0.199 3.971 4.170 -0.000 0.000 0.239 19 I C 2.261 178.417 176.117 0.066 0.000 1.061 19 I CA 1.660 62.994 61.300 0.057 0.000 1.317 19 I CB -1.457 36.603 38.000 0.100 0.000 1.031 19 I HN 0.613 nan 8.210 nan 0.000 0.401 20 G N 0.507 109.397 108.800 0.150 0.000 2.422 20 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.218 20 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.218 20 G C 1.766 176.710 174.900 0.073 0.000 1.146 20 G CA 0.592 45.888 45.100 0.326 0.000 0.769 20 G HN 0.316 nan 8.290 nan 0.000 0.547 21 L N 1.252 122.163 121.223 -0.520 0.000 2.056 21 L HA 0.217 4.557 4.340 -0.000 0.000 0.207 21 L C 3.039 179.697 176.870 -0.353 0.000 1.078 21 L CA 2.075 56.408 54.840 -0.845 0.000 0.749 21 L CB -0.662 40.804 42.059 -0.987 0.000 0.901 21 L HN 0.215 nan 8.230 nan 0.000 0.433 22 A N -0.612 122.080 122.820 -0.212 0.000 1.930 22 A HA -0.061 4.258 4.320 -0.000 0.000 0.217 22 A C 2.428 179.953 177.584 -0.099 0.000 1.175 22 A CA 1.615 53.577 52.037 -0.125 0.000 0.627 22 A CB -1.074 17.884 19.000 -0.071 0.000 0.815 22 A HN 0.548 nan 8.150 nan 0.000 0.443 23 A N -0.134 122.652 122.820 -0.057 0.000 1.930 23 A HA 0.189 4.509 4.320 -0.000 0.000 0.217 23 A C 2.478 179.955 177.584 -0.178 0.000 1.175 23 A CA 1.956 53.991 52.037 -0.003 0.000 0.627 23 A CB -0.918 18.189 19.000 0.177 0.000 0.815 23 A HN 0.993 nan 8.150 nan 0.000 0.443 24 A N -0.190 122.354 122.820 -0.458 0.000 1.898 24 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 24 A C 2.167 179.543 177.584 -0.347 0.000 1.181 24 A CA 2.009 53.555 52.037 -0.818 0.000 0.620 24 A CB -0.426 18.120 19.000 -0.756 0.000 0.819 24 A HN 0.438 nan 8.150 nan 0.000 0.442 25 R N 0.350 120.721 120.500 -0.216 0.000 2.120 25 R HA -0.008 4.332 4.340 -0.000 0.000 0.234 25 R C 1.936 178.184 176.300 -0.086 0.000 1.123 25 R CA 1.699 57.727 56.100 -0.120 0.000 0.975 25 R CB -0.802 29.439 30.300 -0.099 0.000 0.866 25 R HN 0.391 nan 8.270 nan 0.000 0.446 26 A N -0.218 122.551 122.820 -0.085 0.000 2.121 26 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 26 A C 1.648 179.212 177.584 -0.032 0.000 1.154 26 A CA 1.061 53.072 52.037 -0.044 0.000 0.679 26 A CB -0.183 18.802 19.000 -0.025 0.000 0.795 26 A HN 0.330 nan 8.150 nan 0.000 0.458 27 Q N -1.126 118.641 119.800 -0.055 0.000 2.349 27 Q HA 0.180 4.520 4.340 -0.000 0.000 0.209 27 Q C 0.341 176.329 176.000 -0.019 0.000 0.920 27 Q CA 0.880 56.669 55.803 -0.022 0.000 0.901 27 Q CB 0.399 29.134 28.738 -0.005 0.000 1.021 27 Q HN 0.480 nan 8.270 nan 0.000 0.519 28 S N -1.791 113.885 115.700 -0.040 0.000 2.537 28 S HA 0.596 5.065 4.470 -0.000 0.000 0.271 28 S C -0.661 173.931 174.600 -0.014 0.000 1.148 28 S CA 0.060 58.251 58.200 -0.016 0.000 0.868 28 S CB 1.413 64.613 63.200 -0.001 0.000 1.115 28 S HN 0.078 nan 8.310 nan 0.000 0.461 29 A N 2.440 125.261 122.820 0.001 0.000 2.132 29 A HA 0.253 4.573 4.320 -0.000 0.000 0.213 29 A C 1.132 178.732 177.584 0.027 0.000 1.154 29 A CA 0.385 52.427 52.037 0.009 0.000 0.753 29 A CB -0.300 18.705 19.000 0.009 0.000 0.826 29 A HN 0.759 nan 8.150 nan 0.000 0.469 30 Q N 0.626 120.444 119.800 0.029 0.000 3.184 30 Q HA 0.334 4.674 4.340 -0.000 0.000 0.288 30 Q C -1.213 174.820 176.000 0.055 0.000 1.412 30 Q CA -0.294 55.534 55.803 0.042 0.000 0.991 30 Q CB -0.368 28.391 28.738 0.035 0.000 1.688 30 Q HN 0.362 nan 8.270 nan 0.000 0.554 31 L N 3.817 125.085 121.223 0.075 0.000 2.265 31 L HA 0.437 4.777 4.340 -0.000 0.000 0.289 31 L C -1.254 175.717 176.870 0.169 0.000 1.033 31 L CA -0.433 54.475 54.840 0.113 0.000 0.814 31 L CB 1.064 43.183 42.059 0.100 0.000 1.203 31 L HN 0.311 nan 8.230 nan 0.000 0.423 32 I N 4.779 125.433 120.570 0.140 0.000 2.406 32 I HA 0.484 4.654 4.170 -0.000 0.000 0.290 32 I C 0.799 176.937 176.117 0.035 0.000 0.999 32 I CA -0.479 60.858 61.300 0.062 0.000 1.124 32 I CB 1.103 39.120 38.000 0.028 0.000 1.289 32 I HN 0.656 nan 8.210 nan 0.000 0.441 33 G N 6.144 114.760 108.800 -0.307 0.000 2.476 33 G HA2 0.691 4.651 3.960 -0.000 0.000 0.286 33 G HA3 0.691 4.651 3.960 -0.000 0.000 0.286 33 G C -0.705 174.166 174.900 -0.048 0.000 1.177 33 G CA -0.423 44.561 45.100 -0.193 0.000 0.870 33 G HN 0.673 nan 8.290 nan 0.000 0.528 34 L N -1.353 120.005 121.223 0.224 0.000 2.518 34 L HA 0.904 5.244 4.340 -0.000 0.000 0.257 34 L C -1.659 175.450 176.870 0.398 0.000 0.980 34 L CA -1.187 53.768 54.840 0.191 0.000 0.837 34 L CB 2.411 44.505 42.059 0.059 0.000 1.410 34 L HN 0.458 nan 8.230 nan 0.000 0.410 35 F N 2.362 122.411 119.950 0.165 0.000 2.561 35 F HA 0.703 5.229 4.527 -0.000 0.000 0.313 35 F C -1.093 174.789 175.800 0.137 0.000 1.126 35 F CA -0.789 57.350 58.000 0.232 0.000 0.918 35 F CB 1.826 40.923 39.000 0.162 0.000 1.199 35 F HN 0.918 nan 8.300 nan 0.000 0.444 36 C N 8.288 127.323 119.300 -0.443 0.000 2.301 36 C HA 0.592 5.052 4.460 -0.000 0.000 0.323 36 C C -0.397 174.424 174.990 -0.281 0.000 1.265 36 C CA -0.856 58.009 59.018 -0.255 0.000 1.503 36 C CB -0.519 27.071 27.740 -0.250 0.000 2.195 36 C HN 0.782 nan 8.230 nan 0.000 0.477 37 L N 5.858 127.092 121.223 0.018 0.000 2.433 37 L HA 0.208 4.548 4.340 -0.000 0.000 0.284 37 L C 0.311 177.216 176.870 0.058 0.000 1.120 37 L CA 0.360 55.278 54.840 0.131 0.000 0.879 37 L CB -0.047 42.130 42.059 0.197 0.000 1.232 37 L HN 0.676 nan 8.230 nan 0.000 0.454 38 D N 6.050 126.479 120.400 0.049 0.000 2.339 38 D HA 0.163 4.803 4.640 -0.000 0.000 0.241 38 D C -1.572 174.768 176.300 0.066 0.000 1.183 38 D CA -2.141 51.896 54.000 0.061 0.000 0.859 38 D CB 1.797 42.657 40.800 0.101 0.000 1.067 38 D HN 0.159 nan 8.370 nan 0.000 0.484 39 P HA -0.163 nan 4.420 nan 0.000 0.217 39 P C 1.049 178.366 177.300 0.029 0.000 1.148 39 P CA 1.253 64.382 63.100 0.050 0.000 0.828 39 P CB 0.257 31.979 31.700 0.036 0.000 0.783 40 Q N -1.459 118.351 119.800 0.015 0.000 2.291 40 Q HA -0.075 4.265 4.340 -0.000 0.000 0.205 40 Q C 1.908 177.816 176.000 -0.154 0.000 0.970 40 Q CA 0.908 56.675 55.803 -0.059 0.000 0.876 40 Q CB -0.278 28.433 28.738 -0.046 0.000 0.935 40 Q HN 0.368 nan 8.270 nan 0.000 0.455 41 I N -0.527 119.985 120.570 -0.097 0.000 2.681 41 I HA -0.168 4.002 4.170 -0.000 0.000 0.247 41 I C 1.946 178.070 176.117 0.012 0.000 1.091 41 I CA 0.437 61.684 61.300 -0.088 0.000 1.442 41 I CB -0.038 37.950 38.000 -0.020 0.000 1.219 41 I HN 0.114 nan 8.210 nan 0.000 0.451 42 L N 0.397 121.663 121.223 0.070 0.000 2.083 42 L HA -0.207 4.133 4.340 -0.000 0.000 0.209 42 L C 2.081 179.072 176.870 0.201 0.000 1.083 42 L CA 1.516 56.440 54.840 0.141 0.000 0.752 42 L CB -0.390 41.773 42.059 0.174 0.000 0.899 42 L HN 0.349 nan 8.230 nan 0.000 0.433 43 Q N -1.034 118.838 119.800 0.119 0.000 2.360 43 Q HA 0.057 4.397 4.340 -0.000 0.000 0.202 43 Q C 0.812 176.851 176.000 0.066 0.000 0.915 43 Q CA -0.231 55.632 55.803 0.099 0.000 0.943 43 Q CB 0.513 29.283 28.738 0.053 0.000 1.064 43 Q HN 0.257 nan 8.270 nan 0.000 0.511 44 S N -0.061 115.667 115.700 0.047 0.000 2.560 44 S HA 0.188 4.658 4.470 -0.000 0.000 0.284 44 S C 1.121 175.748 174.600 0.044 0.000 1.327 44 S CA 0.108 58.319 58.200 0.017 0.000 1.055 44 S CB 1.108 64.293 63.200 -0.023 0.000 0.868 44 S HN 0.387 nan 8.310 nan 0.000 0.506 45 A N 3.331 126.169 122.820 0.029 0.000 2.172 45 A HA 0.035 4.354 4.320 -0.000 0.000 0.216 45 A C 1.237 178.840 177.584 0.032 0.000 1.154 45 A CA 1.126 53.186 52.037 0.038 0.000 0.701 45 A CB -0.317 18.703 19.000 0.033 0.000 0.789 45 A HN 0.832 nan 8.150 nan 0.000 0.465 46 D N -1.148 119.264 120.400 0.019 0.000 2.340 46 D HA 0.169 4.809 4.640 -0.000 0.000 0.217 46 D C 0.340 176.636 176.300 -0.006 0.000 1.081 46 D CA 0.068 54.073 54.000 0.007 0.000 0.842 46 D CB 0.017 40.821 40.800 0.006 0.000 0.934 46 D HN 0.421 nan 8.370 nan 0.000 0.511 47 M N 1.167 120.775 119.600 0.013 0.000 2.235 47 M HA 0.433 4.913 4.480 -0.000 0.000 0.351 47 M C -0.681 175.592 176.300 -0.045 0.000 1.178 47 M CA -0.817 54.483 55.300 -0.001 0.000 1.143 47 M CB 1.082 33.711 32.600 0.048 0.000 1.530 47 M HN -0.075 nan 8.290 nan 0.000 0.461 48 A N 6.860 129.609 122.820 -0.117 0.000 2.292 48 A HA 0.674 4.994 4.320 -0.000 0.000 0.319 48 A C -2.205 175.236 177.584 -0.238 0.000 1.206 48 A CA -1.487 50.431 52.037 -0.199 0.000 0.835 48 A CB 0.239 19.102 19.000 -0.228 0.000 1.164 48 A HN 0.781 nan 8.150 nan 0.000 0.505 49 P HA -0.213 nan 4.420 nan 0.000 0.216 49 P C 1.710 178.805 177.300 -0.341 0.000 1.153 49 P CA 2.414 65.455 63.100 -0.098 0.000 0.858 49 P CB 0.236 32.064 31.700 0.213 0.000 0.789 50 A N -0.580 121.785 122.820 -0.759 0.000 1.940 50 A HA -0.232 4.088 4.320 -0.000 0.000 0.219 50 A C 2.368 179.708 177.584 -0.406 0.000 1.176 50 A CA 1.714 53.000 52.037 -1.252 0.000 0.631 50 A CB -1.103 16.941 19.000 -1.595 0.000 0.814 50 A HN 0.036 nan 8.150 nan 0.000 0.446 51 R N -0.744 119.603 120.500 -0.256 0.000 2.090 51 R HA -0.040 4.300 4.340 -0.000 0.000 0.228 51 R C 1.935 178.166 176.300 -0.115 0.000 1.110 51 R CA 1.375 57.461 56.100 -0.024 0.000 0.973 51 R CB -0.276 30.068 30.300 0.074 0.000 0.869 51 R HN 0.336 nan 8.270 nan 0.000 0.440 52 V N 0.694 120.450 119.914 -0.264 0.000 2.407 52 V HA -0.212 3.908 4.120 -0.000 0.000 0.248 52 V C 2.352 178.314 176.094 -0.219 0.000 1.055 52 V CA 1.880 63.969 62.300 -0.351 0.000 1.049 52 V CB -0.636 30.732 31.823 -0.758 0.000 0.662 52 V HN 0.478 nan 8.190 nan 0.000 0.455 53 A N -0.768 121.998 122.820 -0.090 0.000 1.877 53 A HA -0.271 4.049 4.320 -0.000 0.000 0.216 53 A C 2.180 179.760 177.584 -0.007 0.000 1.186 53 A CA 2.122 54.227 52.037 0.114 0.000 0.620 53 A CB -0.806 18.448 19.000 0.423 0.000 0.822 53 A HN 0.608 nan 8.150 nan 0.000 0.443 54 Y N 0.036 120.219 120.300 -0.194 0.000 2.145 54 Y HA -0.161 4.389 4.550 -0.000 0.000 0.286 54 Y C 2.089 177.641 175.900 -0.581 0.000 1.145 54 Y CA 1.838 59.615 58.100 -0.539 0.000 1.148 54 Y CB -0.349 37.881 38.460 -0.383 0.000 0.981 54 Y HN 0.274 nan 8.280 nan 0.000 0.507 55 L N 0.572 121.428 121.223 -0.613 0.000 1.990 55 L HA -0.261 4.078 4.340 -0.000 0.000 0.213 55 L C 2.458 178.983 176.870 -0.576 0.000 1.072 55 L CA 2.300 56.644 54.840 -0.826 0.000 0.755 55 L CB -1.219 40.410 42.059 -0.716 0.000 0.889 55 L HN 0.329 nan 8.230 nan 0.000 0.432 56 Q N -0.154 119.408 119.800 -0.397 0.000 2.096 56 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 56 Q C 2.058 177.875 176.000 -0.305 0.000 0.982 56 Q CA 1.975 57.605 55.803 -0.289 0.000 0.850 56 Q CB -0.651 27.993 28.738 -0.156 0.000 0.901 56 Q HN 0.699 nan 8.270 nan 0.000 0.422 57 G N -0.176 108.406 108.800 -0.364 0.000 2.408 57 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.217 57 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.217 57 G C 1.700 176.349 174.900 -0.419 0.000 1.150 57 G CA 0.922 45.801 45.100 -0.369 0.000 0.776 57 G HN 0.448 nan 8.290 nan 0.000 0.542 58 C N 0.198 119.163 119.300 -0.559 0.000 2.440 58 C HA 0.128 4.588 4.460 -0.000 0.000 0.278 58 C C 2.873 177.662 174.990 -0.335 0.000 1.295 58 C CA 0.336 59.073 59.018 -0.469 0.000 1.738 58 C CB -0.959 26.470 27.740 -0.517 0.000 1.987 58 C HN 0.425 nan 8.230 nan 0.000 0.492 59 L N 0.303 121.304 121.223 -0.370 0.000 2.093 59 L HA -0.198 4.142 4.340 -0.000 0.000 0.208 59 L C 2.783 179.532 176.870 -0.202 0.000 1.085 59 L CA 1.386 56.034 54.840 -0.321 0.000 0.755 59 L CB -0.744 41.064 42.059 -0.418 0.000 0.904 59 L HN 0.474 nan 8.230 nan 0.000 0.435 60 Q N -0.193 119.495 119.800 -0.188 0.000 2.084 60 Q HA -0.279 4.060 4.340 -0.000 0.000 0.202 60 Q C 2.091 178.031 176.000 -0.099 0.000 0.978 60 Q CA 1.798 57.528 55.803 -0.122 0.000 0.844 60 Q CB -0.123 28.547 28.738 -0.114 0.000 0.898 60 Q HN 0.512 nan 8.270 nan 0.000 0.426 61 E N 0.522 120.646 120.200 -0.126 0.000 2.106 61 E HA -0.182 4.168 4.350 -0.000 0.000 0.192 61 E C 1.939 178.496 176.600 -0.070 0.000 0.984 61 E CA 0.395 56.736 56.400 -0.097 0.000 0.806 61 E CB 0.066 29.696 29.700 -0.118 0.000 0.750 61 E HN 0.158 nan 8.360 nan 0.000 0.458 62 L N 1.330 122.502 121.223 -0.085 0.000 2.083 62 L HA -0.206 4.133 4.340 -0.000 0.000 0.209 62 L C 2.115 179.036 176.870 0.086 0.000 1.083 62 L CA 1.722 56.543 54.840 -0.031 0.000 0.752 62 L CB -0.333 41.673 42.059 -0.089 0.000 0.899 62 L HN 0.173 nan 8.230 nan 0.000 0.433 63 Q N -1.127 118.695 119.800 0.035 0.000 2.084 63 Q HA -0.265 4.075 4.340 -0.000 0.000 0.202 63 Q C 2.201 178.251 176.000 0.083 0.000 0.978 63 Q CA 2.053 57.896 55.803 0.068 0.000 0.844 63 Q CB -0.224 28.520 28.738 0.010 0.000 0.898 63 Q HN 0.663 nan 8.270 nan 0.000 0.426 64 Q N -0.075 119.743 119.800 0.031 0.000 2.079 64 Q HA -0.105 4.235 4.340 -0.000 0.000 0.200 64 Q C 2.181 178.195 176.000 0.023 0.000 0.974 64 Q CA 0.707 56.522 55.803 0.020 0.000 0.840 64 Q CB -0.014 28.719 28.738 -0.008 0.000 0.898 64 Q HN 0.213 nan 8.270 nan 0.000 0.430 65 R N -0.061 120.438 120.500 -0.001 0.000 2.091 65 R HA -0.156 4.183 4.340 -0.000 0.000 0.238 65 R C 2.005 178.266 176.300 -0.065 0.000 1.136 65 R CA 1.413 57.478 56.100 -0.059 0.000 0.959 65 R CB -0.591 29.636 30.300 -0.122 0.000 0.856 65 R HN 0.383 nan 8.270 nan 0.000 0.437 66 Y N 1.222 121.522 120.300 0.000 0.000 2.200 66 Y HA -0.172 4.378 4.550 -0.000 0.000 0.290 66 Y C 2.816 178.727 175.900 0.017 0.000 1.137 66 Y CA 1.437 59.550 58.100 0.021 0.000 1.163 66 Y CB -0.254 38.230 38.460 0.040 0.000 0.988 66 Y HN 0.078 nan 8.280 nan 0.000 0.518 67 Q N 0.781 120.680 119.800 0.166 0.000 2.084 67 Q HA -0.238 4.102 4.340 -0.000 0.000 0.202 67 Q C 1.836 177.871 176.000 0.059 0.000 0.978 67 Q CA 1.942 57.803 55.803 0.097 0.000 0.844 67 Q CB -0.185 28.591 28.738 0.064 0.000 0.898 67 Q HN 0.607 nan 8.270 nan 0.000 0.426 68 Q N -0.557 119.263 119.800 0.035 0.000 2.167 68 Q HA -0.045 4.295 4.340 -0.000 0.000 0.202 68 Q C 1.925 177.928 176.000 0.004 0.000 0.970 68 Q CA 1.236 57.046 55.803 0.010 0.000 0.855 68 Q CB -0.124 28.609 28.738 -0.007 0.000 0.911 68 Q HN 0.410 nan 8.270 nan 0.000 0.438 69 A N 0.069 122.888 122.820 -0.001 0.000 2.066 69 A HA 0.158 4.478 4.320 -0.000 0.000 0.218 69 A C 1.696 179.294 177.584 0.025 0.000 1.157 69 A CA 1.355 53.383 52.037 -0.014 0.000 0.670 69 A CB -0.128 18.830 19.000 -0.070 0.000 0.804 69 A HN 0.497 nan 8.150 nan 0.000 0.453 70 G N -2.066 106.767 108.800 0.055 0.000 2.318 70 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.172 70 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.172 70 G C 0.662 175.612 174.900 0.083 0.000 1.002 70 G CA 0.826 45.961 45.100 0.058 0.000 0.697 70 G HN 1.506 nan 8.290 nan 0.000 0.483 71 S N -0.191 115.591 115.700 0.137 0.000 4.413 71 S HA 0.890 5.360 4.470 -0.000 0.000 0.213 71 S C 0.085 174.769 174.600 0.140 0.000 1.104 71 S CA 0.577 58.858 58.200 0.137 0.000 1.790 71 S CB 1.280 64.579 63.200 0.163 0.000 0.973 71 S HN 1.503 nan 8.310 nan 0.000 0.757 72 R N -0.764 119.800 120.500 0.106 0.000 2.741 72 R HA 0.692 5.032 4.340 -0.000 0.000 0.274 72 R C -2.355 173.798 176.300 -0.245 0.000 1.029 72 R CA -0.965 55.148 56.100 0.023 0.000 0.880 72 R CB 0.635 30.940 30.300 0.008 0.000 1.264 72 R HN 0.566 nan 8.270 nan 0.000 0.465 73 L N 1.949 123.053 121.223 -0.198 0.000 2.294 73 L HA 0.459 4.798 4.340 -0.000 0.000 0.283 73 L C -1.134 175.680 176.870 -0.093 0.000 1.015 73 L CA -0.590 54.081 54.840 -0.282 0.000 0.831 73 L CB 1.331 43.311 42.059 -0.133 0.000 1.217 73 L HN 0.582 nan 8.230 nan 0.000 0.420 74 L N 5.823 127.004 121.223 -0.070 0.000 2.397 74 L HA 0.351 4.691 4.340 -0.000 0.000 0.271 74 L C -0.495 176.400 176.870 0.041 0.000 1.148 74 L CA -0.220 54.612 54.840 -0.012 0.000 0.825 74 L CB 0.745 42.793 42.059 -0.018 0.000 1.117 74 L HN 0.537 nan 8.230 nan 0.000 0.456 75 L N 4.580 125.831 121.223 0.046 0.000 2.333 75 L HA 0.551 4.891 4.340 -0.000 0.000 0.280 75 L C -0.796 176.107 176.870 0.056 0.000 1.004 75 L CA -0.549 54.345 54.840 0.090 0.000 0.820 75 L CB 1.761 43.870 42.059 0.085 0.000 1.247 75 L HN 0.392 nan 8.230 nan 0.000 0.416 76 L N 2.911 124.167 121.223 0.055 0.000 2.333 76 L HA 0.585 4.925 4.340 -0.000 0.000 0.263 76 L C -0.518 176.367 176.870 0.025 0.000 1.014 76 L CA -0.318 54.526 54.840 0.007 0.000 0.820 76 L CB 1.976 43.999 42.059 -0.060 0.000 1.352 76 L HN 0.496 nan 8.230 nan 0.000 0.421 77 Q N 0.350 120.157 119.800 0.011 0.000 2.295 77 Q HA 0.663 5.003 4.340 -0.000 0.000 0.259 77 Q C -0.690 175.311 176.000 0.001 0.000 0.966 77 Q CA -0.086 55.731 55.803 0.024 0.000 0.763 77 Q CB 1.794 30.559 28.738 0.045 0.000 1.283 77 Q HN 0.888 nan 8.270 nan 0.000 0.445 78 G N 2.489 111.285 108.800 -0.005 0.000 2.350 78 G HA2 -0.025 3.935 3.960 -0.000 0.000 0.276 78 G HA3 -0.025 3.935 3.960 -0.000 0.000 0.276 78 G C -1.794 173.098 174.900 -0.015 0.000 1.313 78 G CA -0.817 44.274 45.100 -0.015 0.000 0.903 78 G HN 0.571 nan 8.290 nan 0.000 0.490 79 D N 0.696 121.087 120.400 -0.016 0.000 2.339 79 D HA 0.524 5.164 4.640 -0.000 0.000 0.256 79 D C -0.938 175.357 176.300 -0.008 0.000 1.214 79 D CA -1.469 52.542 54.000 0.019 0.000 0.877 79 D CB 1.748 42.572 40.800 0.041 0.000 1.111 79 D HN -0.005 nan 8.370 nan 0.000 0.478 80 P HA -0.214 nan 4.420 nan 0.000 0.215 80 P C 1.003 178.164 177.300 -0.231 0.000 1.157 80 P CA 1.444 64.413 63.100 -0.218 0.000 0.874 80 P CB -0.067 31.539 31.700 -0.158 0.000 0.790 81 Q N -1.915 117.814 119.800 -0.120 0.000 2.500 81 Q HA -0.184 4.156 4.340 -0.000 0.000 0.213 81 Q C 1.139 177.018 176.000 -0.202 0.000 0.974 81 Q CA 1.450 57.159 55.803 -0.157 0.000 0.918 81 Q CB -0.660 28.003 28.738 -0.127 0.000 0.980 81 Q HN 0.386 nan 8.270 nan 0.000 0.505 82 H N 0.078 119.076 119.070 -0.120 0.000 2.393 82 H HA 0.219 4.775 4.556 -0.000 0.000 0.307 82 H C 1.808 177.065 175.328 -0.118 0.000 1.038 82 H CA 0.815 56.806 56.048 -0.095 0.000 1.351 82 H CB 0.247 29.968 29.762 -0.068 0.000 1.464 82 H HN 0.037 nan 8.280 nan 0.000 0.575 83 L N 0.161 121.378 121.223 -0.010 0.000 2.056 83 L HA -0.102 4.238 4.340 -0.000 0.000 0.207 83 L C 1.953 178.721 176.870 -0.171 0.000 1.078 83 L CA 1.122 55.909 54.840 -0.088 0.000 0.749 83 L CB -0.347 41.647 42.059 -0.108 0.000 0.901 83 L HN 0.291 nan 8.230 nan 0.000 0.433 84 I N -0.127 120.272 120.570 -0.286 0.000 2.252 84 I HA -0.172 3.998 4.170 -0.000 0.000 0.245 84 I C -0.303 175.688 176.117 -0.211 0.000 1.102 84 I CA 1.274 62.359 61.300 -0.358 0.000 1.385 84 I CB -1.355 36.242 38.000 -0.671 0.000 1.064 84 I HN 0.186 nan 8.210 nan 0.000 0.414 85 P HA -0.149 nan 4.420 nan 0.000 0.216 85 P C 1.532 178.788 177.300 -0.074 0.000 1.153 85 P CA 1.335 64.374 63.100 -0.101 0.000 0.848 85 P CB -0.005 31.632 31.700 -0.105 0.000 0.787 86 Q N -0.985 118.771 119.800 -0.073 0.000 2.084 86 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 86 Q C 2.101 178.073 176.000 -0.046 0.000 0.978 86 Q CA 1.124 56.899 55.803 -0.047 0.000 0.844 86 Q CB -0.818 27.901 28.738 -0.032 0.000 0.898 86 Q HN 0.171 nan 8.270 nan 0.000 0.426 87 L N 0.500 121.683 121.223 -0.067 0.000 2.017 87 L HA -0.123 4.216 4.340 -0.000 0.000 0.208 87 L C 2.183 179.029 176.870 -0.040 0.000 1.073 87 L CA 2.030 56.834 54.840 -0.059 0.000 0.745 87 L CB -0.690 41.316 42.059 -0.089 0.000 0.894 87 L HN 0.121 nan 8.230 nan 0.000 0.432 88 A N -1.044 121.750 122.820 -0.043 0.000 1.902 88 A HA -0.299 4.020 4.320 -0.000 0.000 0.217 88 A C 2.334 179.914 177.584 -0.006 0.000 1.181 88 A CA 1.956 53.985 52.037 -0.013 0.000 0.623 88 A CB -0.777 18.220 19.000 -0.005 0.000 0.818 88 A HN 0.666 nan 8.150 nan 0.000 0.443 89 Q N -1.279 118.512 119.800 -0.015 0.000 2.084 89 Q HA -0.213 4.127 4.340 -0.000 0.000 0.202 89 Q C 2.139 178.136 176.000 -0.006 0.000 0.978 89 Q CA 1.477 57.274 55.803 -0.010 0.000 0.844 89 Q CB -0.127 28.602 28.738 -0.015 0.000 0.898 89 Q HN 0.583 nan 8.270 nan 0.000 0.426 90 Q N -0.235 119.558 119.800 -0.010 0.000 2.291 90 Q HA -0.103 4.237 4.340 -0.000 0.000 0.206 90 Q C 1.423 177.422 176.000 -0.002 0.000 0.976 90 Q CA 0.766 56.565 55.803 -0.007 0.000 0.875 90 Q CB 0.161 28.893 28.738 -0.011 0.000 0.927 90 Q HN 0.286 nan 8.270 nan 0.000 0.450 91 L N 0.068 121.291 121.223 0.000 0.000 2.607 91 L HA 0.109 4.449 4.340 -0.000 0.000 0.228 91 L C 0.788 177.666 176.870 0.013 0.000 1.123 91 L CA 0.535 55.379 54.840 0.008 0.000 0.890 91 L CB -0.222 41.843 42.059 0.010 0.000 1.103 91 L HN 0.258 nan 8.230 nan 0.000 0.468 92 Q N 0.008 119.815 119.800 0.011 0.000 2.453 92 Q HA -0.233 4.107 4.340 -0.000 0.000 0.294 92 Q C 0.190 176.205 176.000 0.024 0.000 1.295 92 Q CA 0.356 56.167 55.803 0.014 0.000 0.853 92 Q CB -0.846 27.900 28.738 0.013 0.000 1.193 92 Q HN 0.485 nan 8.270 nan 0.000 0.461 93 A N 0.678 123.515 122.820 0.029 0.000 2.540 93 A HA 0.011 4.330 4.320 -0.000 0.000 0.239 93 A C 0.879 178.494 177.584 0.053 0.000 1.061 93 A CA 0.638 52.702 52.037 0.046 0.000 0.758 93 A CB 0.397 19.431 19.000 0.056 0.000 0.991 93 A HN 0.696 nan 8.150 nan 0.000 0.502 94 E N 1.702 121.940 120.200 0.064 0.000 2.110 94 E HA 0.138 4.488 4.350 -0.000 0.000 0.193 94 E C 0.557 177.210 176.600 0.088 0.000 0.988 94 E CA 1.311 57.751 56.400 0.068 0.000 0.804 94 E CB 0.002 29.746 29.700 0.073 0.000 0.745 94 E HN 0.992 nan 8.360 nan 0.000 0.458 95 A N -0.789 122.108 122.820 0.128 0.000 2.566 95 A HA 0.511 4.831 4.320 -0.000 0.000 0.290 95 A C -1.632 176.084 177.584 0.220 0.000 1.071 95 A CA -0.640 51.489 52.037 0.153 0.000 0.658 95 A CB 1.713 20.837 19.000 0.207 0.000 1.285 95 A HN 0.000 nan 8.150 nan 0.000 0.427 96 V N 0.892 120.925 119.914 0.198 0.000 2.487 96 V HA 0.589 4.708 4.120 -0.000 0.000 0.298 96 V C -1.348 174.899 176.094 0.254 0.000 1.028 96 V CA -0.401 62.073 62.300 0.289 0.000 0.860 96 V CB 1.249 33.261 31.823 0.315 0.000 0.991 96 V HN 0.755 nan 8.190 nan 0.000 0.427 97 Y N 3.562 123.944 120.300 0.138 0.000 2.487 97 Y HA 0.830 5.380 4.550 -0.000 0.000 0.337 97 Y C -0.167 175.710 175.900 -0.038 0.000 1.076 97 Y CA -0.815 57.304 58.100 0.033 0.000 1.115 97 Y CB 2.061 40.679 38.460 0.264 0.000 1.235 97 Y HN 0.841 nan 8.280 nan 0.000 0.468 98 W N 0.651 121.875 121.300 -0.126 0.000 3.057 98 W HA 0.509 5.169 4.660 0.000 0.000 0.328 98 W C -2.265 174.145 176.519 -0.182 0.000 1.232 98 W CA -1.039 56.046 57.345 -0.434 0.000 1.187 98 W CB 0.558 29.755 29.460 -0.439 0.000 1.417 98 W HN 0.239 nan 8.180 nan 0.000 0.569 99 N N 2.296 121.083 118.700 0.144 0.000 2.456 99 N HA 0.214 4.954 4.740 -0.000 0.000 0.288 99 N C -0.386 175.114 175.510 -0.018 0.000 1.059 99 N CA -0.666 52.420 53.050 0.061 0.000 0.946 99 N CB 1.475 40.055 38.487 0.155 0.000 1.150 99 N HN 0.534 nan 8.380 nan 0.000 0.479 100 Q N 0.403 120.014 119.800 -0.314 0.000 2.432 100 Q HA 0.028 4.368 4.340 -0.000 0.000 0.264 100 Q C -0.429 175.382 176.000 -0.314 0.000 1.035 100 Q CA 0.407 55.901 55.803 -0.515 0.000 0.908 100 Q CB 0.772 28.654 28.738 -1.426 0.000 1.280 100 Q HN 0.460 nan 8.270 nan 0.000 0.455 101 D N 0.560 120.861 120.400 -0.166 0.000 2.326 101 D HA 0.277 4.917 4.640 -0.000 0.000 0.248 101 D C 0.197 176.624 176.300 0.211 0.000 1.001 101 D CA -0.483 53.532 54.000 0.024 0.000 0.961 101 D CB 1.191 41.980 40.800 -0.019 0.000 1.183 101 D HN 0.567 nan 8.370 nan 0.000 0.502 102 I N -2.045 118.692 120.570 0.278 0.000 4.139 102 I HA 0.357 4.527 4.170 -0.000 0.000 0.335 102 I C 0.149 176.404 176.117 0.230 0.000 1.327 102 I CA -0.363 61.169 61.300 0.386 0.000 1.112 102 I CB 0.273 38.467 38.000 0.325 0.000 1.058 102 I HN 0.044 nan 8.210 nan 0.000 0.396 103 E N 2.585 122.876 120.200 0.152 0.000 2.313 103 E HA 0.227 4.577 4.350 -0.000 0.000 0.272 103 E C -1.829 174.827 176.600 0.093 0.000 1.038 103 E CA -1.782 54.687 56.400 0.115 0.000 0.863 103 E CB 0.913 30.680 29.700 0.111 0.000 1.060 103 E HN -0.050 nan 8.360 nan 0.000 0.402 104 P HA -0.241 nan 4.420 nan 0.000 0.214 104 P C 1.022 178.364 177.300 0.070 0.000 1.163 104 P CA 1.272 64.412 63.100 0.066 0.000 0.889 104 P CB -0.010 31.740 31.700 0.082 0.000 0.790 105 Y N 0.522 120.831 120.300 0.014 0.000 2.070 105 Y HA -0.186 4.364 4.550 -0.000 0.000 0.280 105 Y C 2.519 178.416 175.900 -0.006 0.000 1.148 105 Y CA 2.300 60.405 58.100 0.008 0.000 1.125 105 Y CB -1.230 37.237 38.460 0.011 0.000 0.975 105 Y HN -0.128 nan 8.280 nan 0.000 0.492 106 G N 0.006 108.804 108.800 -0.004 0.000 2.440 106 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.218 106 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.218 106 G C 1.788 176.589 174.900 -0.164 0.000 1.154 106 G CA 0.960 45.984 45.100 -0.126 0.000 0.767 106 G HN 0.376 nan 8.290 nan 0.000 0.552 107 R N 0.180 120.634 120.500 -0.076 0.000 2.092 107 R HA -0.034 4.306 4.340 -0.000 0.000 0.231 107 R C 2.176 178.428 176.300 -0.079 0.000 1.119 107 R CA 1.312 57.383 56.100 -0.048 0.000 0.970 107 R CB -0.245 30.052 30.300 -0.006 0.000 0.864 107 R HN 0.257 nan 8.270 nan 0.000 0.440 108 D N 0.193 120.519 120.400 -0.123 0.000 2.117 108 D HA -0.163 4.477 4.640 -0.000 0.000 0.198 108 D C 1.866 178.064 176.300 -0.170 0.000 0.982 108 D CA 0.942 54.867 54.000 -0.126 0.000 0.828 108 D CB -0.240 40.485 40.800 -0.126 0.000 0.967 108 D HN 0.166 nan 8.370 nan 0.000 0.464 109 R N 0.921 121.235 120.500 -0.311 0.000 2.080 109 R HA -0.163 4.177 4.340 -0.000 0.000 0.236 109 R C 1.297 177.512 176.300 -0.142 0.000 1.137 109 R CA 1.710 57.634 56.100 -0.294 0.000 0.943 109 R CB -0.104 29.920 30.300 -0.460 0.000 0.846 109 R HN 0.009 nan 8.270 nan 0.000 0.431 110 D N -0.397 119.925 120.400 -0.129 0.000 2.149 110 D HA -0.111 4.529 4.640 -0.000 0.000 0.198 110 D C 1.766 178.148 176.300 0.137 0.000 0.990 110 D CA 1.567 55.565 54.000 -0.003 0.000 0.839 110 D CB -0.625 40.225 40.800 0.084 0.000 0.948 110 D HN 0.547 nan 8.370 nan 0.000 0.460 111 G N 0.505 109.338 108.800 0.055 0.000 2.422 111 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.218 111 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.218 111 G C 1.591 176.514 174.900 0.038 0.000 1.146 111 G CA 0.477 45.609 45.100 0.053 0.000 0.769 111 G HN 0.161 nan 8.290 nan 0.000 0.547 112 Q N 0.139 119.936 119.800 -0.004 0.000 2.079 112 Q HA -0.023 4.317 4.340 -0.000 0.000 0.200 112 Q C 3.020 179.009 176.000 -0.018 0.000 0.974 112 Q CA 0.975 56.763 55.803 -0.026 0.000 0.840 112 Q CB -0.720 27.983 28.738 -0.058 0.000 0.898 112 Q HN 0.407 nan 8.270 nan 0.000 0.430 113 V N 1.303 121.212 119.914 -0.008 0.000 2.343 113 V HA -0.245 3.875 4.120 -0.000 0.000 0.247 113 V C 2.416 178.587 176.094 0.127 0.000 1.051 113 V CA 1.775 64.067 62.300 -0.013 0.000 1.036 113 V CB -1.148 30.604 31.823 -0.117 0.000 0.654 113 V HN 0.313 nan 8.190 nan 0.000 0.451 114 A N 0.046 123.027 122.820 0.268 0.000 1.902 114 A HA -0.129 4.191 4.320 -0.000 0.000 0.217 114 A C 2.421 180.061 177.584 0.092 0.000 1.181 114 A CA 2.168 54.357 52.037 0.254 0.000 0.623 114 A CB -0.772 18.361 19.000 0.222 0.000 0.818 114 A HN 0.575 nan 8.150 nan 0.000 0.443 115 A N -0.225 122.627 122.820 0.053 0.000 1.898 115 A HA 0.190 4.510 4.320 -0.000 0.000 0.216 115 A C 2.503 180.084 177.584 -0.006 0.000 1.181 115 A CA 2.014 54.058 52.037 0.012 0.000 0.620 115 A CB -0.984 18.015 19.000 -0.002 0.000 0.819 115 A HN 1.041 nan 8.150 nan 0.000 0.442 116 A N -0.272 122.537 122.820 -0.018 0.000 1.902 116 A HA -0.021 4.299 4.320 -0.000 0.000 0.217 116 A C 2.169 179.738 177.584 -0.026 0.000 1.181 116 A CA 1.449 53.458 52.037 -0.047 0.000 0.623 116 A CB -0.586 18.358 19.000 -0.092 0.000 0.818 116 A HN 0.465 nan 8.150 nan 0.000 0.443 117 L N -0.693 120.532 121.223 0.005 0.000 2.046 117 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 117 L C 2.642 179.515 176.870 0.005 0.000 1.077 117 L CA 1.913 56.762 54.840 0.016 0.000 0.747 117 L CB -0.408 41.690 42.059 0.065 0.000 0.896 117 L HN 0.470 nan 8.230 nan 0.000 0.432 118 K N -0.209 120.193 120.400 0.003 0.000 2.063 118 K HA -0.183 4.137 4.320 -0.000 0.000 0.208 118 K C 1.976 178.570 176.600 -0.011 0.000 1.048 118 K CA 1.918 58.200 56.287 -0.008 0.000 0.928 118 K CB -0.073 32.421 32.500 -0.010 0.000 0.713 118 K HN 0.185 nan 8.250 nan 0.000 0.442 119 T N 0.401 114.946 114.554 -0.014 0.000 2.803 119 T HA -0.112 4.238 4.350 -0.000 0.000 0.269 119 T C 1.539 176.229 174.700 -0.016 0.000 1.052 119 T CA 1.310 63.399 62.100 -0.017 0.000 1.136 119 T CB -0.153 68.700 68.868 -0.025 0.000 0.864 119 T HN 0.394 nan 8.240 nan 0.000 0.467 120 A N 0.230 123.041 122.820 -0.015 0.000 2.251 120 A HA 0.535 4.855 4.320 -0.000 0.000 0.209 120 A C 1.790 179.370 177.584 -0.007 0.000 1.187 120 A CA 0.616 52.645 52.037 -0.013 0.000 0.823 120 A CB -0.663 18.327 19.000 -0.016 0.000 0.846 120 A HN 0.668 nan 8.150 nan 0.000 0.486 121 G N -0.572 108.225 108.800 -0.006 0.000 2.176 121 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.252 121 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.252 121 G C -0.039 174.861 174.900 0.000 0.000 1.024 121 G CA 0.523 45.621 45.100 -0.004 0.000 0.755 121 G HN 0.514 nan 8.290 nan 0.000 0.507 122 I N 0.269 120.840 120.570 0.002 0.000 2.404 122 I HA 0.396 4.566 4.170 -0.000 0.000 0.293 122 I C 0.960 177.077 176.117 0.000 0.000 0.992 122 I CA -1.078 60.229 61.300 0.010 0.000 1.149 122 I CB 1.333 39.345 38.000 0.020 0.000 1.315 122 I HN 0.015 nan 8.210 nan 0.000 0.446 123 R N 4.161 124.657 120.500 -0.007 0.000 2.590 123 R HA 0.562 4.902 4.340 -0.000 0.000 0.274 123 R C -0.306 175.938 176.300 -0.093 0.000 1.061 123 R CA -0.305 55.764 56.100 -0.052 0.000 1.081 123 R CB 0.669 30.939 30.300 -0.050 0.000 0.984 123 R HN 0.708 nan 8.270 nan 0.000 0.448 124 A N 2.668 125.374 122.820 -0.190 0.000 2.332 124 A HA 0.454 4.774 4.320 -0.000 0.000 0.300 124 A C -0.819 176.413 177.584 -0.587 0.000 1.153 124 A CA -0.685 51.142 52.037 -0.349 0.000 0.764 124 A CB 1.356 20.214 19.000 -0.237 0.000 1.174 124 A HN 0.428 nan 8.150 nan 0.000 0.467 125 V N 3.617 123.018 119.914 -0.855 0.000 2.378 125 V HA 0.357 4.477 4.120 -0.000 0.000 0.288 125 V C -0.368 175.136 176.094 -0.983 0.000 1.016 125 V CA -0.328 61.417 62.300 -0.924 0.000 0.840 125 V CB 1.147 32.149 31.823 -1.368 0.000 0.994 125 V HN 0.925 nan 8.190 nan 0.000 0.431 126 Q N 5.789 125.088 119.800 -0.835 0.000 2.368 126 Q HA 0.687 5.027 4.340 -0.000 0.000 0.263 126 Q C -1.128 174.568 176.000 -0.505 0.000 1.009 126 Q CA -0.345 54.955 55.803 -0.838 0.000 0.818 126 Q CB 2.264 30.521 28.738 -0.801 0.000 1.239 126 Q HN 0.622 nan 8.270 nan 0.000 0.464 127 L N 0.775 121.782 121.223 -0.360 0.000 2.313 127 L HA 0.563 4.903 4.340 -0.000 0.000 0.268 127 L C -0.672 176.057 176.870 -0.235 0.000 1.010 127 L CA -1.070 53.639 54.840 -0.218 0.000 0.814 127 L CB 1.389 43.431 42.059 -0.027 0.000 1.304 127 L HN 0.554 nan 8.230 nan 0.000 0.441 128 W N 0.676 121.971 121.300 -0.009 0.000 2.322 128 W HA 0.215 4.875 4.660 -0.000 0.000 0.307 128 W C 0.505 177.038 176.519 0.024 0.000 1.220 128 W CA 0.108 57.450 57.345 -0.004 0.000 1.210 128 W CB 1.261 30.697 29.460 -0.041 0.000 1.223 128 W HN 0.595 nan 8.180 nan 0.000 0.511 129 D N 0.200 120.792 120.400 0.320 0.000 2.526 129 D HA -0.150 4.489 4.640 -0.000 0.000 0.293 129 D C 1.847 178.275 176.300 0.212 0.000 1.081 129 D CA 0.273 54.407 54.000 0.222 0.000 0.924 129 D CB 0.206 41.120 40.800 0.191 0.000 1.498 129 D HN 0.514 nan 8.370 nan 0.000 0.497 130 Q N 0.421 120.370 119.800 0.250 0.000 2.515 130 Q HA 0.083 4.423 4.340 -0.000 0.000 0.212 130 Q C -0.151 175.963 176.000 0.189 0.000 0.970 130 Q CA 0.546 56.474 55.803 0.208 0.000 0.941 130 Q CB 0.174 29.034 28.738 0.203 0.000 0.998 130 Q HN 0.293 nan 8.270 nan 0.000 0.518 131 L N 0.466 121.800 121.223 0.184 0.000 2.370 131 L HA 0.310 4.650 4.340 -0.000 0.000 0.266 131 L C 0.630 177.513 176.870 0.022 0.000 1.002 131 L CA -0.783 54.139 54.840 0.136 0.000 0.818 131 L CB 1.834 43.969 42.059 0.128 0.000 1.325 131 L HN 0.038 nan 8.230 nan 0.000 0.418 132 L N 1.065 122.248 121.223 -0.067 0.000 2.156 132 L HA 0.010 4.349 4.340 -0.000 0.000 0.208 132 L C 0.111 176.532 176.870 -0.749 0.000 1.095 132 L CA 0.883 55.452 54.840 -0.452 0.000 0.770 132 L CB -0.214 41.420 42.059 -0.708 0.000 0.914 132 L HN 0.518 nan 8.230 nan 0.000 0.439 133 H N -1.127 117.898 119.070 -0.074 0.000 2.782 133 H HA 0.274 4.829 4.556 -0.000 0.000 0.347 133 H C -0.297 174.976 175.328 -0.092 0.000 1.038 133 H CA -0.921 55.052 56.048 -0.125 0.000 1.255 133 H CB 1.649 31.288 29.762 -0.206 0.000 1.623 133 H HN -0.030 nan 8.280 nan 0.000 0.525 134 S N 2.749 118.276 115.700 -0.289 0.000 2.600 134 S HA 0.118 4.588 4.470 -0.000 0.000 0.265 134 S C -1.710 172.344 174.600 -0.910 0.000 1.325 134 S CA -0.918 56.717 58.200 -0.942 0.000 1.002 134 S CB 1.525 63.915 63.200 -1.350 0.000 0.921 134 S HN 0.281 nan 8.310 nan 0.000 0.554 135 P HA -0.059 nan 4.420 nan 0.000 0.219 135 P C 0.495 177.554 177.300 -0.401 0.000 1.146 135 P CA 1.124 63.446 63.100 -1.296 0.000 0.808 135 P CB -0.019 30.663 31.700 -1.698 0.000 0.779 136 D N -1.453 118.716 120.400 -0.386 0.000 2.355 136 D HA -0.078 4.562 4.640 -0.000 0.000 0.218 136 D C 1.747 178.007 176.300 -0.068 0.000 1.004 136 D CA 0.581 54.529 54.000 -0.086 0.000 0.880 136 D CB -0.045 40.733 40.800 -0.036 0.000 0.911 136 D HN 0.333 nan 8.370 nan 0.000 0.528 137 Q N 0.081 119.812 119.800 -0.115 0.000 2.376 137 Q HA 0.022 4.362 4.340 -0.000 0.000 0.206 137 Q C 0.019 175.987 176.000 -0.054 0.000 0.921 137 Q CA 0.345 56.099 55.803 -0.082 0.000 0.911 137 Q CB 0.667 29.345 28.738 -0.100 0.000 1.032 137 Q HN 0.060 nan 8.270 nan 0.000 0.510 138 I N 2.690 123.291 120.570 0.051 0.000 2.347 138 I HA 0.353 4.523 4.170 -0.000 0.000 0.283 138 I C -0.609 175.648 176.117 0.233 0.000 1.058 138 I CA -0.077 61.295 61.300 0.120 0.000 1.202 138 I CB 0.605 38.729 38.000 0.208 0.000 1.386 138 I HN 0.092 nan 8.210 nan 0.000 0.475 139 L N 3.943 125.242 121.223 0.126 0.000 2.376 139 L HA 0.514 4.854 4.340 -0.000 0.000 0.258 139 L C 0.733 177.531 176.870 -0.120 0.000 1.013 139 L CA -0.718 54.099 54.840 -0.040 0.000 0.822 139 L CB 2.385 44.397 42.059 -0.079 0.000 1.388 139 L HN 0.556 nan 8.230 nan 0.000 0.413 140 S N -0.070 115.363 115.700 -0.444 0.000 2.634 140 S HA 0.137 4.607 4.470 -0.000 0.000 0.254 140 S C 1.243 175.775 174.600 -0.113 0.000 1.299 140 S CA 0.084 58.090 58.200 -0.323 0.000 0.974 140 S CB 0.793 63.739 63.200 -0.422 0.000 1.001 140 S HN 0.830 nan 8.310 nan 0.000 0.584 141 G N -0.158 108.608 108.800 -0.056 0.000 2.470 141 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.220 141 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.220 141 G C 1.057 175.930 174.900 -0.045 0.000 1.121 141 G CA 0.596 45.675 45.100 -0.035 0.000 0.766 141 G HN 0.680 nan 8.290 nan 0.000 0.553 142 S N -0.169 115.494 115.700 -0.061 0.000 2.597 142 S HA 0.378 4.848 4.470 -0.000 0.000 0.224 142 S C 1.611 176.175 174.600 -0.062 0.000 0.955 142 S CA 0.473 58.643 58.200 -0.051 0.000 0.933 142 S CB 0.207 63.382 63.200 -0.042 0.000 0.788 142 S HN 1.091 nan 8.310 nan 0.000 0.488 143 G N 2.434 111.184 108.800 -0.082 0.000 2.160 143 G HA2 -0.217 3.743 3.960 -0.000 0.000 0.251 143 G HA3 -0.217 3.743 3.960 -0.000 0.000 0.251 143 G C -0.297 174.536 174.900 -0.112 0.000 1.008 143 G CA -0.306 44.745 45.100 -0.081 0.000 0.724 143 G HN 0.465 nan 8.290 nan 0.000 0.514 144 N N 0.612 119.213 118.700 -0.165 0.000 2.404 144 N HA 0.586 5.326 4.740 -0.000 0.000 0.297 144 N C -2.468 172.850 175.510 -0.320 0.000 1.163 144 N CA -1.423 51.514 53.050 -0.189 0.000 0.864 144 N CB 2.319 40.740 38.487 -0.110 0.000 1.247 144 N HN 0.105 nan 8.380 nan 0.000 0.510 145 P HA 0.146 nan 4.420 nan 0.000 0.272 145 P C -0.961 176.298 177.300 -0.070 0.000 1.240 145 P CA 0.122 63.005 63.100 -0.361 0.000 0.791 145 P CB 0.500 31.713 31.700 -0.811 0.000 0.978 146 Y N -0.338 120.130 120.300 0.279 0.000 2.323 146 Y HA 0.228 4.778 4.550 -0.000 0.000 0.331 146 Y C 1.600 177.780 175.900 0.467 0.000 1.092 146 Y CA 0.231 58.560 58.100 0.382 0.000 1.150 146 Y CB 1.349 40.109 38.460 0.500 0.000 1.200 146 Y HN 0.332 nan 8.280 nan 0.000 0.472 147 S N -0.266 115.760 115.700 0.544 0.000 2.629 147 S HA 0.381 4.851 4.470 -0.000 0.000 0.236 147 S C -0.485 174.404 174.600 0.481 0.000 1.010 147 S CA -0.277 58.175 58.200 0.419 0.000 0.981 147 S CB -0.198 63.105 63.200 0.172 0.000 0.919 147 S HN 0.243 nan 8.310 nan 0.000 0.514 148 V N 2.262 122.469 119.914 0.489 0.000 2.588 148 V HA 0.397 4.517 4.120 -0.000 0.000 0.304 148 V C 0.407 176.497 176.094 -0.007 0.000 1.042 148 V CA -0.886 61.577 62.300 0.273 0.000 0.877 148 V CB 1.399 33.346 31.823 0.207 0.000 0.996 148 V HN 0.345 nan 8.190 nan 0.000 0.425 149 Y N 4.300 124.244 120.300 -0.593 0.000 2.163 149 Y HA -0.036 4.514 4.550 -0.000 0.000 0.288 149 Y C 2.083 177.651 175.900 -0.553 0.000 1.136 149 Y CA 2.353 59.734 58.100 -1.198 0.000 1.147 149 Y CB -0.480 37.044 38.460 -1.560 0.000 0.987 149 Y HN 0.736 nan 8.280 nan 0.000 0.509 150 G N 0.623 109.230 108.800 -0.322 0.000 2.631 150 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.219 150 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.219 150 G C -0.480 174.262 174.900 -0.265 0.000 1.214 150 G CA 1.365 46.335 45.100 -0.218 0.000 0.785 150 G HN 0.381 nan 8.290 nan 0.000 0.596 151 P HA -0.054 nan 4.420 nan 0.000 0.218 151 P C 1.582 178.485 177.300 -0.663 0.000 1.149 151 P CA 0.658 63.628 63.100 -0.217 0.000 0.817 151 P CB -0.121 31.634 31.700 0.093 0.000 0.785 152 F N -0.714 118.627 119.950 -1.016 0.000 2.102 152 F HA -0.166 4.361 4.527 0.000 0.000 0.298 152 F C 2.257 177.629 175.800 -0.714 0.000 1.105 152 F CA 1.362 58.656 58.000 -1.175 0.000 1.239 152 F CB -0.851 37.727 39.000 -0.703 0.000 0.991 152 F HN -0.020 nan 8.300 nan 0.000 0.474 153 W N 2.138 122.942 121.300 -0.826 0.000 2.355 153 W HA -0.264 4.396 4.660 0.000 0.000 0.309 153 W C 2.305 178.580 176.519 -0.406 0.000 1.206 153 W CA 1.824 58.754 57.345 -0.692 0.000 1.284 153 W CB -0.562 28.329 29.460 -0.948 0.000 1.145 153 W HN 0.107 nan 8.180 nan 0.000 0.502 154 K N 0.634 120.723 120.400 -0.518 0.000 2.113 154 K HA -0.293 4.027 4.320 -0.000 0.000 0.208 154 K C 2.018 178.328 176.600 -0.483 0.000 1.047 154 K CA 1.874 57.856 56.287 -0.508 0.000 0.928 154 K CB -0.565 31.769 32.500 -0.276 0.000 0.716 154 K HN 0.079 nan 8.250 nan 0.000 0.446 155 N N 0.299 118.713 118.700 -0.477 0.000 2.083 155 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 155 N C 1.671 176.897 175.510 -0.473 0.000 1.047 155 N CA 1.550 54.352 53.050 -0.414 0.000 0.845 155 N CB -0.688 37.568 38.487 -0.386 0.000 1.025 155 N HN 0.355 nan 8.380 nan 0.000 0.428 156 W N 2.106 122.924 121.300 -0.804 0.000 2.304 156 W HA -0.194 4.466 4.660 0.000 0.000 0.315 156 W C 2.553 178.710 176.519 -0.604 0.000 1.233 156 W CA 1.991 58.890 57.345 -0.744 0.000 1.261 156 W CB -0.344 28.649 29.460 -0.779 0.000 1.150 156 W HN 0.247 nan 8.180 nan 0.000 0.494 157 Q N 0.300 119.855 119.800 -0.409 0.000 2.170 157 Q HA -0.150 4.189 4.340 -0.000 0.000 0.203 157 Q C 2.002 177.740 176.000 -0.436 0.000 0.976 157 Q CA 1.881 57.344 55.803 -0.566 0.000 0.858 157 Q CB -0.590 27.357 28.738 -1.319 0.000 0.907 157 Q HN 0.360 nan 8.270 nan 0.000 0.433 158 A N 0.371 122.931 122.820 -0.433 0.000 2.208 158 A HA 0.023 4.343 4.320 -0.000 0.000 0.209 158 A C 0.761 178.148 177.584 -0.328 0.000 1.161 158 A CA -0.032 51.811 52.037 -0.323 0.000 0.782 158 A CB 0.077 18.909 19.000 -0.280 0.000 0.816 158 A HN 0.239 nan 8.150 nan 0.000 0.477 159 Q N 1.196 120.713 119.800 -0.471 0.000 2.327 159 Q HA 0.234 4.574 4.340 -0.000 0.000 0.254 159 Q C -2.445 173.345 176.000 -0.350 0.000 0.952 159 Q CA -1.956 53.542 55.803 -0.508 0.000 0.884 159 Q CB 0.425 28.569 28.738 -0.989 0.000 1.224 159 Q HN 0.297 nan 8.270 nan 0.000 0.422 160 P HA 0.034 nan 4.420 nan 0.000 0.268 160 P C -0.528 176.695 177.300 -0.130 0.000 1.204 160 P CA 0.050 63.065 63.100 -0.140 0.000 0.768 160 P CB 0.707 32.345 31.700 -0.102 0.000 0.842 161 K N 4.365 124.662 120.400 -0.173 0.000 2.201 161 K HA 0.354 4.674 4.320 -0.000 0.000 0.278 161 K C -1.716 174.772 176.600 -0.186 0.000 1.027 161 K CA -1.602 54.496 56.287 -0.315 0.000 0.909 161 K CB 0.494 32.732 32.500 -0.438 0.000 1.062 161 K HN 0.465 nan 8.250 nan 0.000 0.465 162 P HA 0.110 nan 4.420 nan 0.000 0.277 162 P C -0.362 176.913 177.300 -0.042 0.000 1.240 162 P CA -0.278 62.755 63.100 -0.112 0.000 0.798 162 P CB 0.689 32.311 31.700 -0.130 0.000 0.979 163 T N -1.104 113.454 114.554 0.006 0.000 2.944 163 T HA 0.512 4.862 4.350 -0.000 0.000 0.284 163 T C -2.600 172.126 174.700 0.043 0.000 1.010 163 T CA -2.418 59.712 62.100 0.049 0.000 1.025 163 T CB 0.310 69.208 68.868 0.050 0.000 1.079 163 T HN 0.159 nan 8.240 nan 0.000 0.516 164 P HA 0.227 nan 4.420 nan 0.000 0.266 164 P C -0.106 177.212 177.300 0.030 0.000 1.195 164 P CA -0.507 62.624 63.100 0.051 0.000 0.768 164 P CB 0.279 32.015 31.700 0.060 0.000 0.838 165 V N -0.196 119.732 119.914 0.022 0.000 3.109 165 V HA 0.793 4.913 4.120 -0.000 0.000 0.317 165 V C 0.175 176.267 176.094 -0.004 0.000 1.074 165 V CA -1.317 60.987 62.300 0.007 0.000 1.033 165 V CB 0.804 32.627 31.823 0.001 0.000 1.111 165 V HN 0.602 nan 8.190 nan 0.000 0.458 166 A N 1.222 124.034 122.820 -0.014 0.000 2.407 166 A HA 0.543 4.863 4.320 -0.000 0.000 0.248 166 A C 0.574 178.133 177.584 -0.042 0.000 1.082 166 A CA -0.050 51.973 52.037 -0.023 0.000 0.785 166 A CB -0.326 18.660 19.000 -0.023 0.000 1.020 166 A HN 1.015 nan 8.150 nan 0.000 0.489 167 T N 4.754 119.282 114.554 -0.043 0.000 2.832 167 T HA 0.444 4.794 4.350 -0.000 0.000 0.296 167 T C -2.163 172.493 174.700 -0.074 0.000 0.968 167 T CA -0.475 61.586 62.100 -0.065 0.000 1.107 167 T CB 0.562 69.395 68.868 -0.058 0.000 0.916 167 T HN 0.612 nan 8.240 nan 0.000 0.517 168 P HA 0.221 nan 4.420 nan 0.000 0.271 168 P C -0.368 176.887 177.300 -0.074 0.000 1.216 168 P CA -0.278 62.770 63.100 -0.087 0.000 0.776 168 P CB 0.619 32.254 31.700 -0.108 0.000 0.881 169 T N -2.441 112.084 114.554 -0.048 0.000 2.864 169 T HA 0.346 4.696 4.350 -0.000 0.000 0.289 169 T C -0.289 174.401 174.700 -0.017 0.000 1.082 169 T CA -0.931 61.149 62.100 -0.034 0.000 1.009 169 T CB 0.945 69.796 68.868 -0.028 0.000 1.234 169 T HN 0.447 nan 8.240 nan 0.000 0.526 170 E N 0.599 120.795 120.200 -0.008 0.000 2.252 170 E HA -0.148 4.202 4.350 -0.000 0.000 0.218 170 E C -0.396 176.211 176.600 0.012 0.000 1.253 170 E CA 0.059 56.460 56.400 0.002 0.000 0.705 170 E CB -1.597 28.103 29.700 -0.000 0.000 1.172 170 E HN 0.492 nan 8.360 nan 0.000 0.369 171 L N -0.050 121.187 121.223 0.024 0.000 2.439 171 L HA 0.402 4.742 4.340 -0.000 0.000 0.261 171 L C 0.706 177.603 176.870 0.045 0.000 1.153 171 L CA -0.771 54.096 54.840 0.044 0.000 0.808 171 L CB 0.800 42.908 42.059 0.082 0.000 1.126 171 L HN -0.097 nan 8.230 nan 0.000 0.460 172 V N 0.783 120.726 119.914 0.047 0.000 2.384 172 V HA 0.185 4.305 4.120 -0.000 0.000 0.287 172 V C -0.059 176.065 176.094 0.049 0.000 1.020 172 V CA -0.617 61.707 62.300 0.040 0.000 0.850 172 V CB 1.450 33.292 31.823 0.031 0.000 0.987 172 V HN 0.652 nan 8.190 nan 0.000 0.436 173 D N 3.013 123.440 120.400 0.045 0.000 2.371 173 D HA 0.308 4.948 4.640 -0.000 0.000 0.242 173 D C 0.021 176.341 176.300 0.034 0.000 1.218 173 D CA -0.079 53.948 54.000 0.045 0.000 0.945 173 D CB 0.921 41.745 40.800 0.040 0.000 1.137 173 D HN 0.353 nan 8.370 nan 0.000 0.464 174 L N 0.983 122.223 121.223 0.029 0.000 2.417 174 L HA 0.181 4.521 4.340 -0.000 0.000 0.268 174 L C 0.979 177.860 176.870 0.019 0.000 1.158 174 L CA -0.467 54.386 54.840 0.022 0.000 0.819 174 L CB 0.993 43.062 42.059 0.017 0.000 1.112 174 L HN 0.412 nan 8.230 nan 0.000 0.458 175 S N 1.494 117.204 115.700 0.016 0.000 2.669 175 S HA 0.347 4.817 4.470 -0.000 0.000 0.270 175 S C -1.991 172.616 174.600 0.011 0.000 1.225 175 S CA -1.218 56.990 58.200 0.014 0.000 0.991 175 S CB 1.342 64.549 63.200 0.013 0.000 0.987 175 S HN 0.377 nan 8.310 nan 0.000 0.552 176 P HA -0.083 nan 4.420 nan 0.000 0.216 176 P C 1.156 178.460 177.300 0.007 0.000 1.150 176 P CA 1.292 64.397 63.100 0.008 0.000 0.837 176 P CB 0.016 31.720 31.700 0.008 0.000 0.786 177 E N -0.576 119.629 120.200 0.007 0.000 2.106 177 E HA -0.199 4.151 4.350 -0.000 0.000 0.192 177 E C 2.122 178.725 176.600 0.006 0.000 0.984 177 E CA 0.927 57.331 56.400 0.006 0.000 0.806 177 E CB -0.301 29.403 29.700 0.007 0.000 0.750 177 E HN 0.435 nan 8.360 nan 0.000 0.458 178 Q N 0.350 120.154 119.800 0.008 0.000 2.123 178 Q HA -0.077 4.263 4.340 -0.000 0.000 0.199 178 Q C 2.321 178.324 176.000 0.005 0.000 0.966 178 Q CA 0.794 56.601 55.803 0.007 0.000 0.845 178 Q CB 0.022 28.766 28.738 0.010 0.000 0.907 178 Q HN 0.287 nan 8.270 nan 0.000 0.439 179 L N -0.016 121.210 121.223 0.006 0.000 2.131 179 L HA -0.168 4.172 4.340 -0.000 0.000 0.210 179 L C 2.282 179.153 176.870 0.002 0.000 1.092 179 L CA 1.084 55.926 54.840 0.004 0.000 0.759 179 L CB -0.499 41.564 42.059 0.006 0.000 0.903 179 L HN 0.243 nan 8.230 nan 0.000 0.435 180 T N -0.189 114.367 114.554 0.003 0.000 2.821 180 T HA -0.107 4.243 4.350 -0.000 0.000 0.267 180 T C 2.019 176.720 174.700 0.000 0.000 1.046 180 T CA 1.155 63.256 62.100 0.002 0.000 1.139 180 T CB -0.153 68.717 68.868 0.003 0.000 0.871 180 T HN 0.436 nan 8.240 nan 0.000 0.454 181 A N 1.708 124.528 122.820 0.001 0.000 1.972 181 A HA 0.018 4.338 4.320 -0.000 0.000 0.219 181 A C 2.147 179.728 177.584 -0.004 0.000 1.169 181 A CA 1.304 53.340 52.037 -0.001 0.000 0.635 181 A CB -0.689 18.311 19.000 0.000 0.000 0.810 181 A HN 0.747 nan 8.150 nan 0.000 0.446 182 I N -4.801 115.766 120.570 -0.005 0.000 4.018 182 I HA 0.451 4.621 4.170 -0.000 0.000 0.337 182 I C 1.914 178.026 176.117 -0.008 0.000 1.327 182 I CA 0.569 61.864 61.300 -0.009 0.000 1.100 182 I CB -0.157 37.836 38.000 -0.012 0.000 1.025 182 I HN 0.098 nan 8.210 nan 0.000 0.396 183 A N 2.977 125.794 122.820 -0.005 0.000 1.929 183 A HA -0.162 4.157 4.320 -0.000 0.000 0.221 183 A C 0.252 177.833 177.584 -0.004 0.000 1.211 183 A CA 2.393 54.428 52.037 -0.003 0.000 0.657 183 A CB -2.157 16.843 19.000 -0.001 0.000 0.827 183 A HN 0.448 nan 8.150 nan 0.000 0.462 184 P HA -0.053 nan 4.420 nan 0.000 0.222 184 P C 0.984 178.278 177.300 -0.010 0.000 1.147 184 P CA 0.771 63.867 63.100 -0.007 0.000 0.790 184 P CB -0.071 31.625 31.700 -0.007 0.000 0.780 185 L N -2.438 118.776 121.223 -0.014 0.000 2.567 185 L HA 0.130 4.470 4.340 -0.000 0.000 0.225 185 L C 0.857 177.716 176.870 -0.019 0.000 1.119 185 L CA 0.017 54.844 54.840 -0.021 0.000 0.871 185 L CB -0.267 41.773 42.059 -0.031 0.000 1.036 185 L HN -0.064 nan 8.230 nan 0.000 0.459 186 L N 0.123 121.339 121.223 -0.010 0.000 2.344 186 L HA 0.434 4.774 4.340 -0.000 0.000 0.272 186 L C -0.313 176.560 176.870 0.006 0.000 1.035 186 L CA -0.714 54.124 54.840 -0.003 0.000 0.807 186 L CB 1.789 43.847 42.059 -0.002 0.000 1.237 186 L HN -0.078 nan 8.230 nan 0.000 0.442 187 L N 0.752 121.984 121.223 0.015 0.000 2.334 187 L HA 0.208 4.548 4.340 -0.000 0.000 0.277 187 L C 1.330 178.210 176.870 0.017 0.000 1.075 187 L CA -0.216 54.636 54.840 0.021 0.000 0.804 187 L CB 1.887 43.967 42.059 0.035 0.000 1.174 187 L HN 0.848 nan 8.230 nan 0.000 0.438 188 S N 1.019 116.728 115.700 0.015 0.000 2.428 188 S HA -0.046 4.424 4.470 -0.000 0.000 0.230 188 S C 0.324 174.932 174.600 0.013 0.000 1.014 188 S CA 0.369 58.577 58.200 0.012 0.000 0.957 188 S CB -0.235 62.972 63.200 0.011 0.000 0.784 188 S HN 0.790 nan 8.310 nan 0.000 0.499 189 E N -0.462 119.748 120.200 0.017 0.000 2.423 189 E HA 0.505 4.855 4.350 -0.000 0.000 0.280 189 E C -1.499 175.112 176.600 0.019 0.000 1.030 189 E CA -1.212 55.196 56.400 0.015 0.000 0.812 189 E CB 0.499 30.206 29.700 0.012 0.000 1.313 189 E HN 0.067 nan 8.360 nan 0.000 0.456 190 L N 2.012 123.241 121.223 0.010 0.000 2.418 190 L HA 0.320 4.660 4.340 -0.000 0.000 0.274 190 L C -2.406 174.471 176.870 0.012 0.000 1.135 190 L CA -1.042 53.801 54.840 0.006 0.000 0.870 190 L CB -0.073 41.971 42.059 -0.024 0.000 1.154 190 L HN 0.411 nan 8.230 nan 0.000 0.462 191 P HA 0.154 nan 4.420 nan 0.000 0.268 191 P C -0.710 176.611 177.300 0.036 0.000 1.205 191 P CA -0.234 62.890 63.100 0.040 0.000 0.771 191 P CB 0.357 32.095 31.700 0.062 0.000 0.858 192 T N 0.088 114.669 114.554 0.043 0.000 2.828 192 T HA 0.101 4.451 4.350 -0.000 0.000 0.290 192 T C 1.100 175.849 174.700 0.081 0.000 1.019 192 T CA -0.640 61.489 62.100 0.048 0.000 1.031 192 T CB 0.369 69.265 68.868 0.047 0.000 1.001 192 T HN 0.151 nan 8.240 nan 0.000 0.531 193 L N 1.345 122.625 121.223 0.095 0.000 2.012 193 L HA -0.081 4.258 4.340 -0.000 0.000 0.210 193 L C 2.746 179.731 176.870 0.191 0.000 1.073 193 L CA 2.099 57.032 54.840 0.155 0.000 0.748 193 L CB -0.910 41.248 42.059 0.164 0.000 0.891 193 L HN 0.928 nan 8.230 nan 0.000 0.431 194 K N -1.507 118.973 120.400 0.133 0.000 2.097 194 K HA -0.257 4.063 4.320 -0.000 0.000 0.206 194 K C 2.087 178.736 176.600 0.081 0.000 1.049 194 K CA 1.529 57.879 56.287 0.104 0.000 0.933 194 K CB -0.581 31.963 32.500 0.074 0.000 0.717 194 K HN 0.293 nan 8.250 nan 0.000 0.442 195 Q N 1.540 121.387 119.800 0.079 0.000 2.226 195 Q HA 0.018 4.358 4.340 -0.000 0.000 0.204 195 Q C 1.815 177.859 176.000 0.073 0.000 0.975 195 Q CA 1.223 57.063 55.803 0.061 0.000 0.866 195 Q CB -0.140 28.631 28.738 0.056 0.000 0.915 195 Q HN 0.478 nan 8.270 nan 0.000 0.440 196 L N -1.521 119.781 121.223 0.131 0.000 2.554 196 L HA 0.202 4.542 4.340 -0.000 0.000 0.226 196 L C 1.165 178.070 176.870 0.058 0.000 1.137 196 L CA 0.486 55.437 54.840 0.186 0.000 0.863 196 L CB -0.183 42.095 42.059 0.365 0.000 0.985 196 L HN 0.479 nan 8.230 nan 0.000 0.451 197 G N -0.417 108.380 108.800 -0.006 0.000 2.132 197 G HA2 -0.279 3.681 3.960 -0.000 0.000 0.234 197 G HA3 -0.279 3.681 3.960 -0.000 0.000 0.234 197 G C -0.038 174.667 174.900 -0.324 0.000 0.989 197 G CA -0.361 44.628 45.100 -0.185 0.000 0.676 197 G HN 0.183 nan 8.290 nan 0.000 0.522 198 F N 1.209 121.194 119.950 0.058 0.000 2.523 198 F HA 0.664 5.191 4.527 -0.000 0.000 0.329 198 F C 0.231 176.092 175.800 0.102 0.000 1.061 198 F CA -0.459 57.587 58.000 0.078 0.000 0.967 198 F CB 1.691 40.739 39.000 0.079 0.000 1.218 198 F HN 0.198 nan 8.300 nan 0.000 0.480 199 D N 0.494 121.103 120.400 0.348 0.000 2.934 199 D HA 0.182 4.822 4.640 -0.000 0.000 0.230 199 D C -1.877 174.645 176.300 0.370 0.000 1.204 199 D CA -0.428 53.732 54.000 0.267 0.000 0.873 199 D CB 2.302 43.197 40.800 0.158 0.000 1.645 199 D HN 0.730 nan 8.370 nan 0.000 0.502 200 W N 3.012 124.361 121.300 0.081 0.000 3.405 200 W HA 0.283 4.943 4.660 -0.000 0.000 0.329 200 W C -1.862 174.649 176.519 -0.013 0.000 1.142 200 W CA -0.544 56.822 57.345 0.035 0.000 1.235 200 W CB 2.062 31.546 29.460 0.039 0.000 1.341 200 W HN 0.523 nan 8.180 nan 0.000 0.481 201 D N 2.325 122.198 120.400 -0.878 0.000 2.636 201 D HA 0.226 4.866 4.640 -0.000 0.000 0.270 201 D C 1.380 177.130 176.300 -0.917 0.000 1.430 201 D CA 0.464 54.054 54.000 -0.684 0.000 0.796 201 D CB 0.353 40.954 40.800 -0.333 0.000 1.117 201 D HN 0.441 nan 8.370 nan 0.000 0.480 202 G N -0.466 107.256 108.800 -1.796 0.000 3.042 202 G HA2 0.473 4.433 3.960 -0.000 0.000 0.212 202 G HA3 0.473 4.433 3.960 -0.000 0.000 0.212 202 G C 0.967 175.594 174.900 -0.455 0.000 1.166 202 G CA 0.212 44.636 45.100 -1.126 0.000 0.767 202 G HN 0.566 nan 8.290 nan 0.000 0.546 203 G N -0.790 107.713 108.800 -0.493 0.000 2.725 203 G HA2 0.045 4.005 3.960 -0.000 0.000 0.220 203 G HA3 0.045 4.005 3.960 -0.000 0.000 0.220 203 G C -0.658 173.995 174.900 -0.412 0.000 1.357 203 G CA -0.557 44.356 45.100 -0.312 0.000 0.866 203 G HN 0.522 nan 8.290 nan 0.000 0.548 204 F N -1.158 118.946 119.950 0.257 0.000 2.626 204 F HA 0.609 5.136 4.527 -0.000 0.000 0.311 204 F C -1.506 174.314 175.800 0.034 0.000 1.088 204 F CA -1.421 56.692 58.000 0.189 0.000 0.949 204 F CB 1.668 40.803 39.000 0.225 0.000 1.322 204 F HN 0.299 nan 8.300 nan 0.000 0.461 205 P HA -0.010 nan 4.420 nan 0.000 0.219 205 P C -0.550 176.687 177.300 -0.106 0.000 1.150 205 P CA 0.923 63.873 63.100 -0.249 0.000 0.814 205 P CB 0.650 31.961 31.700 -0.648 0.000 0.787 206 V N -0.707 119.234 119.914 0.045 0.000 2.851 206 V HA 0.236 4.356 4.120 -0.000 0.000 0.307 206 V C -1.052 175.156 176.094 0.190 0.000 1.129 206 V CA -1.005 61.344 62.300 0.082 0.000 0.932 206 V CB 2.251 34.099 31.823 0.043 0.000 1.024 206 V HN -0.265 nan 8.190 nan 0.000 0.426 207 E N 5.395 125.679 120.200 0.140 0.000 2.415 207 E HA 0.243 4.593 4.350 -0.000 0.000 0.262 207 E C -2.409 174.152 176.600 -0.065 0.000 1.038 207 E CA -1.455 54.993 56.400 0.079 0.000 0.921 207 E CB 0.431 30.166 29.700 0.059 0.000 0.950 207 E HN 0.541 nan 8.360 nan 0.000 0.438 208 P HA 0.185 nan 4.420 nan 0.000 0.269 208 P C -0.224 176.813 177.300 -0.439 0.000 1.215 208 P CA 0.537 63.186 63.100 -0.752 0.000 0.780 208 P CB 0.527 31.664 31.700 -0.939 0.000 0.898 209 G N 0.883 109.400 108.800 -0.472 0.000 2.650 209 G HA2 -0.156 3.804 3.960 -0.000 0.000 0.686 209 G HA3 -0.156 3.804 3.960 -0.000 0.000 0.686 209 G C 0.581 175.413 174.900 -0.114 0.000 1.205 209 G CA -0.088 44.862 45.100 -0.249 0.000 0.781 209 G HN 0.520 nan 8.290 nan 0.000 0.648 210 E N -0.341 119.813 120.200 -0.077 0.000 2.058 210 E HA -0.158 4.192 4.350 -0.000 0.000 0.194 210 E C 2.463 179.057 176.600 -0.010 0.000 0.997 210 E CA 2.215 58.603 56.400 -0.020 0.000 0.801 210 E CB -0.183 29.503 29.700 -0.024 0.000 0.746 210 E HN 0.605 nan 8.360 nan 0.000 0.450 211 T N 0.604 115.141 114.554 -0.027 0.000 2.684 211 T HA -0.173 4.177 4.350 -0.000 0.000 0.267 211 T C 1.852 176.549 174.700 -0.004 0.000 1.036 211 T CA 1.503 63.593 62.100 -0.016 0.000 1.148 211 T CB -0.359 68.494 68.868 -0.025 0.000 0.863 211 T HN 0.370 nan 8.240 nan 0.000 0.436 212 A N 1.267 124.080 122.820 -0.011 0.000 1.930 212 A HA 0.205 4.525 4.320 -0.000 0.000 0.217 212 A C 2.631 180.234 177.584 0.031 0.000 1.175 212 A CA 1.763 53.804 52.037 0.007 0.000 0.627 212 A CB -1.038 17.960 19.000 -0.003 0.000 0.815 212 A HN 0.507 nan 8.150 nan 0.000 0.443 213 A N 0.124 122.970 122.820 0.043 0.000 1.877 213 A HA -0.086 4.234 4.320 -0.000 0.000 0.216 213 A C 2.106 179.727 177.584 0.063 0.000 1.186 213 A CA 1.538 53.618 52.037 0.072 0.000 0.620 213 A CB -0.619 18.441 19.000 0.100 0.000 0.822 213 A HN 0.490 nan 8.150 nan 0.000 0.443 214 I N -0.264 120.336 120.570 0.051 0.000 2.286 214 I HA -0.270 3.900 4.170 -0.000 0.000 0.248 214 I C 2.929 179.069 176.117 0.039 0.000 1.115 214 I CA 0.983 62.312 61.300 0.048 0.000 1.392 214 I CB -0.335 37.686 38.000 0.036 0.000 1.065 214 I HN 0.370 nan 8.210 nan 0.000 0.418 215 A N 0.916 123.754 122.820 0.030 0.000 1.898 215 A HA -0.239 4.081 4.320 -0.000 0.000 0.216 215 A C 2.339 179.943 177.584 0.032 0.000 1.181 215 A CA 1.810 53.862 52.037 0.025 0.000 0.620 215 A CB -0.478 18.533 19.000 0.019 0.000 0.819 215 A HN 0.295 nan 8.150 nan 0.000 0.442 216 R N -0.184 120.338 120.500 0.037 0.000 2.073 216 R HA -0.091 4.249 4.340 -0.000 0.000 0.234 216 R C 1.876 178.209 176.300 0.056 0.000 1.134 216 R CA 1.806 57.929 56.100 0.039 0.000 0.952 216 R CB -1.074 29.240 30.300 0.023 0.000 0.850 216 R HN 0.409 nan 8.270 nan 0.000 0.433 217 L N 0.929 122.187 121.223 0.057 0.000 2.042 217 L HA -0.188 4.152 4.340 -0.000 0.000 0.210 217 L C 2.015 178.916 176.870 0.053 0.000 1.076 217 L CA 1.955 56.836 54.840 0.069 0.000 0.749 217 L CB -0.596 41.517 42.059 0.090 0.000 0.893 217 L HN 0.358 nan 8.230 nan 0.000 0.432 218 Q N -0.700 119.122 119.800 0.037 0.000 2.079 218 Q HA -0.222 4.118 4.340 -0.000 0.000 0.200 218 Q C 2.136 178.136 176.000 -0.000 0.000 0.974 218 Q CA 1.922 57.731 55.803 0.011 0.000 0.840 218 Q CB -0.225 28.520 28.738 0.011 0.000 0.898 218 Q HN 0.647 nan 8.270 nan 0.000 0.430 219 E N 0.235 120.448 120.200 0.023 0.000 2.051 219 E HA -0.191 4.159 4.350 -0.000 0.000 0.192 219 E C 1.711 178.323 176.600 0.020 0.000 0.991 219 E CA 0.995 57.407 56.400 0.020 0.000 0.799 219 E CB -0.166 29.558 29.700 0.039 0.000 0.748 219 E HN 0.215 nan 8.360 nan 0.000 0.449 220 F N 1.033 120.911 119.950 -0.121 0.000 2.102 220 F HA -0.229 4.298 4.527 -0.000 0.000 0.298 220 F C 2.093 177.750 175.800 -0.238 0.000 1.105 220 F CA 1.145 59.032 58.000 -0.188 0.000 1.239 220 F CB -0.383 38.456 39.000 -0.268 0.000 0.991 220 F HN 0.030 nan 8.300 nan 0.000 0.474 221 C N 0.409 119.555 119.300 -0.255 0.000 2.472 221 C HA -0.079 4.381 4.460 -0.000 0.000 0.278 221 C C 2.083 176.921 174.990 -0.253 0.000 1.447 221 C CA 0.959 59.771 59.018 -0.343 0.000 1.773 221 C CB -1.411 26.213 27.740 -0.194 0.000 1.793 221 C HN 0.451 nan 8.230 nan 0.000 0.544 222 D N -0.445 119.847 120.400 -0.180 0.000 2.305 222 D HA 0.025 4.665 4.640 -0.000 0.000 0.206 222 D C 2.414 178.629 176.300 -0.142 0.000 0.974 222 D CA 0.812 54.735 54.000 -0.128 0.000 0.871 222 D CB 0.201 40.956 40.800 -0.074 0.000 0.947 222 D HN 0.369 nan 8.370 nan 0.000 0.516 223 R N -0.731 119.654 120.500 -0.191 0.000 4.650 223 R HA 0.382 4.721 4.340 -0.000 0.000 0.128 223 R C 1.859 178.017 176.300 -0.237 0.000 1.329 223 R CA 0.665 56.666 56.100 -0.165 0.000 0.975 223 R CB -1.089 29.157 30.300 -0.090 0.000 1.371 223 R HN -0.009 nan 8.270 nan 0.000 0.424 224 A N 2.161 124.831 122.820 -0.250 0.000 1.958 224 A HA -0.183 4.136 4.320 -0.000 0.000 0.221 224 A C 2.114 179.396 177.584 -0.503 0.000 1.178 224 A CA 1.917 53.803 52.037 -0.251 0.000 0.642 224 A CB -0.901 18.086 19.000 -0.021 0.000 0.816 224 A HN 0.401 nan 8.150 nan 0.000 0.453 225 I N -0.592 119.305 120.570 -1.122 0.000 2.315 225 I HA -0.298 3.872 4.170 -0.000 0.000 0.251 225 I C 2.562 178.473 176.117 -0.344 0.000 1.125 225 I CA 1.260 61.919 61.300 -1.068 0.000 1.392 225 I CB -0.128 37.148 38.000 -1.207 0.000 1.065 225 I HN 0.367 nan 8.210 nan 0.000 0.424 226 A N -0.280 122.387 122.820 -0.255 0.000 2.019 226 A HA -0.205 4.115 4.320 -0.000 0.000 0.219 226 A C 1.679 179.254 177.584 -0.015 0.000 1.164 226 A CA 1.904 53.879 52.037 -0.104 0.000 0.644 226 A CB -0.370 18.569 19.000 -0.102 0.000 0.805 226 A HN 0.515 nan 8.150 nan 0.000 0.449 227 D N -2.445 117.957 120.400 0.004 0.000 2.395 227 D HA 0.067 4.707 4.640 -0.000 0.000 0.213 227 D C 0.977 177.364 176.300 0.145 0.000 1.110 227 D CA -0.157 53.885 54.000 0.070 0.000 0.835 227 D CB -0.142 40.695 40.800 0.063 0.000 0.965 227 D HN 0.479 nan 8.370 nan 0.000 0.505 228 Y N 2.101 122.424 120.300 0.039 0.000 2.139 228 Y HA -0.242 4.308 4.550 -0.000 0.000 0.282 228 Y C 0.453 176.430 175.900 0.128 0.000 1.179 228 Y CA 1.458 59.640 58.100 0.137 0.000 1.161 228 Y CB 0.053 38.631 38.460 0.198 0.000 0.970 228 Y HN -0.166 nan 8.280 nan 0.000 0.511 229 D N -0.196 120.261 120.400 0.095 0.000 2.349 229 D HA 0.238 4.877 4.640 -0.000 0.000 0.232 229 D C -2.167 174.162 176.300 0.048 0.000 1.071 229 D CA -2.428 51.574 54.000 0.003 0.000 0.832 229 D CB 1.432 42.273 40.800 0.069 0.000 1.086 229 D HN 0.062 nan 8.370 nan 0.000 0.504 230 P HA 0.050 nan 4.420 nan 0.000 0.268 230 P C 0.693 177.968 177.300 -0.042 0.000 1.329 230 P CA -0.083 63.006 63.100 -0.017 0.000 0.899 230 P CB 0.758 32.495 31.700 0.061 0.000 1.378 231 Q N 1.070 120.922 119.800 0.087 0.000 2.308 231 Q HA -0.157 4.183 4.340 -0.000 0.000 0.209 231 Q C 2.158 178.176 176.000 0.031 0.000 0.985 231 Q CA 1.195 57.114 55.803 0.193 0.000 0.881 231 Q CB -0.575 28.288 28.738 0.209 0.000 0.917 231 Q HN 0.554 nan 8.270 nan 0.000 0.443 232 R N -0.072 120.295 120.500 -0.222 0.000 2.241 232 R HA -0.030 4.310 4.340 -0.000 0.000 0.224 232 R C 1.080 177.257 176.300 -0.205 0.000 1.101 232 R CA 1.128 57.038 56.100 -0.317 0.000 0.995 232 R CB -0.213 29.485 30.300 -1.003 0.000 0.870 232 R HN 0.171 nan 8.270 nan 0.000 0.463 233 N N 0.398 118.823 118.700 -0.457 0.000 2.446 233 N HA -0.008 4.732 4.740 -0.000 0.000 0.179 233 N C -0.566 174.550 175.510 -0.657 0.000 1.054 233 N CA 0.625 53.299 53.050 -0.625 0.000 0.905 233 N CB 0.135 38.160 38.487 -0.770 0.000 0.973 233 N HN 0.134 nan 8.380 nan 0.000 0.448 234 F N 0.664 120.591 119.950 -0.038 0.000 2.361 234 F HA 0.375 4.902 4.527 -0.000 0.000 0.364 234 F C -1.506 174.035 175.800 -0.430 0.000 1.117 234 F CA -2.618 55.293 58.000 -0.148 0.000 1.071 234 F CB 1.405 40.395 39.000 -0.017 0.000 1.188 234 F HN -0.211 nan 8.300 nan 0.000 0.464 235 P HA -0.211 nan 4.420 nan 0.000 0.218 235 P C 1.465 178.727 177.300 -0.064 0.000 1.148 235 P CA 1.761 64.395 63.100 -0.778 0.000 0.822 235 P CB 0.263 31.258 31.700 -1.175 0.000 0.784 236 A N -0.969 121.919 122.820 0.114 0.000 2.015 236 A HA -0.107 4.213 4.320 -0.000 0.000 0.219 236 A C 1.167 178.876 177.584 0.207 0.000 1.163 236 A CA 1.195 53.389 52.037 0.261 0.000 0.646 236 A CB -0.567 18.545 19.000 0.187 0.000 0.806 236 A HN 0.096 nan 8.150 nan 0.000 0.448 237 E N -0.784 119.530 120.200 0.189 0.000 2.283 237 E HA 0.505 4.854 4.350 -0.000 0.000 0.271 237 E C -0.381 176.364 176.600 0.242 0.000 1.031 237 E CA 0.006 56.525 56.400 0.199 0.000 0.868 237 E CB 1.288 31.124 29.700 0.227 0.000 1.094 237 E HN 0.172 nan 8.360 nan 0.000 0.401 238 A N 1.909 124.859 122.820 0.217 0.000 3.215 238 A HA 0.364 4.684 4.320 -0.000 0.000 0.269 238 A C 1.140 178.878 177.584 0.256 0.000 1.517 238 A CA 0.087 52.260 52.037 0.227 0.000 1.221 238 A CB -0.746 18.350 19.000 0.160 0.000 1.160 238 A HN 0.586 nan 8.150 nan 0.000 0.620 239 G N -0.057 108.931 108.800 0.314 0.000 2.880 239 G HA2 0.210 4.170 3.960 -0.000 0.000 0.209 239 G HA3 0.210 4.170 3.960 -0.000 0.000 0.209 239 G C 0.884 176.092 174.900 0.513 0.000 1.157 239 G CA 0.991 46.306 45.100 0.359 0.000 0.779 239 G HN 0.694 nan 8.290 nan 0.000 0.539 240 T N -2.612 112.198 114.554 0.426 0.000 2.923 240 T HA 0.454 4.804 4.350 -0.000 0.000 0.281 240 T C 1.771 176.429 174.700 -0.070 0.000 0.995 240 T CA 0.471 62.795 62.100 0.374 0.000 0.985 240 T CB 1.612 70.680 68.868 0.332 0.000 1.114 240 T HN 0.107 nan 8.240 nan 0.000 0.548 241 S N -0.579 114.803 115.700 -0.531 0.000 2.414 241 S HA 0.251 4.721 4.470 -0.000 0.000 0.227 241 S C 2.035 176.419 174.600 -0.360 0.000 1.022 241 S CA 0.705 58.352 58.200 -0.922 0.000 0.958 241 S CB -1.264 61.331 63.200 -1.009 0.000 0.797 241 S HN 2.220 nan 8.310 nan 0.000 0.493 242 G N 1.049 109.720 108.800 -0.216 0.000 2.153 242 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.252 242 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.252 242 G C 0.450 175.242 174.900 -0.180 0.000 0.994 242 G CA 0.563 45.473 45.100 -0.316 0.000 0.698 242 G HN 0.561 nan 8.290 nan 0.000 0.521 243 L N 1.297 122.475 121.223 -0.074 0.000 2.591 243 L HA 0.064 4.404 4.340 -0.000 0.000 0.228 243 L C 2.875 179.761 176.870 0.026 0.000 1.133 243 L CA 1.040 55.880 54.840 -0.001 0.000 0.880 243 L CB -0.230 41.869 42.059 0.067 0.000 1.033 243 L HN 0.493 nan 8.230 nan 0.000 0.450 244 S N 0.964 116.694 115.700 0.050 0.000 2.372 244 S HA -0.148 4.322 4.470 -0.000 0.000 0.227 244 S C -0.264 174.325 174.600 -0.018 0.000 1.044 244 S CA 1.418 59.652 58.200 0.055 0.000 1.050 244 S CB -1.947 61.346 63.200 0.155 0.000 0.901 244 S HN 0.330 nan 8.310 nan 0.000 0.447 245 P HA 0.133 nan 4.420 nan 0.000 0.221 245 P C 1.527 178.753 177.300 -0.123 0.000 1.150 245 P CA 1.515 64.443 63.100 -0.287 0.000 0.800 245 P CB -0.212 31.023 31.700 -0.775 0.000 0.787 246 A N 0.022 122.843 122.820 0.000 0.000 1.969 246 A HA -0.060 4.260 4.320 -0.000 0.000 0.218 246 A C 2.357 180.054 177.584 0.187 0.000 1.169 246 A CA 1.020 53.192 52.037 0.225 0.000 0.635 246 A CB -1.419 17.694 19.000 0.188 0.000 0.810 246 A HN 0.135 nan 8.150 nan 0.000 0.445 247 L N -0.875 120.413 121.223 0.110 0.000 2.131 247 L HA -0.068 4.272 4.340 -0.000 0.000 0.206 247 L C 2.608 179.516 176.870 0.063 0.000 1.087 247 L CA 1.166 56.065 54.840 0.099 0.000 0.767 247 L CB -0.299 41.804 42.059 0.073 0.000 0.917 247 L HN 0.322 nan 8.230 nan 0.000 0.441 248 K N 0.547 120.941 120.400 -0.010 0.000 2.057 248 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 248 K C 1.584 178.046 176.600 -0.230 0.000 1.050 248 K CA 1.708 57.898 56.287 -0.163 0.000 0.935 248 K CB -0.016 32.298 32.500 -0.311 0.000 0.715 248 K HN 0.189 nan 8.250 nan 0.000 0.439 249 F N 0.130 120.156 119.950 0.126 0.000 2.727 249 F HA 0.256 4.783 4.527 -0.000 0.000 0.302 249 F C 1.153 177.056 175.800 0.172 0.000 1.097 249 F CA 0.444 58.547 58.000 0.171 0.000 1.330 249 F CB 0.365 39.515 39.000 0.250 0.000 1.084 249 F HN 0.259 nan 8.300 nan 0.000 0.578 250 G N 0.802 109.771 108.800 0.282 0.000 2.273 250 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.280 250 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.280 250 G C 1.225 176.259 174.900 0.223 0.000 1.047 250 G CA 0.370 45.612 45.100 0.237 0.000 0.869 250 G HN 0.565 nan 8.290 nan 0.000 0.502 251 A N -1.332 121.628 122.820 0.233 0.000 2.119 251 A HA 0.554 4.874 4.320 -0.000 0.000 0.217 251 A C 1.056 178.718 177.584 0.130 0.000 1.153 251 A CA 1.529 53.661 52.037 0.158 0.000 0.692 251 A CB 0.241 19.347 19.000 0.176 0.000 0.799 251 A HN 1.304 nan 8.150 nan 0.000 0.458 252 I N -1.622 119.039 120.570 0.151 0.000 2.647 252 I HA 0.612 4.782 4.170 -0.000 0.000 0.295 252 I C 0.335 176.539 176.117 0.144 0.000 1.078 252 I CA -0.557 60.825 61.300 0.135 0.000 1.048 252 I CB 1.796 39.882 38.000 0.143 0.000 1.239 252 I HN 0.029 nan 8.210 nan 0.000 0.421 253 G N 5.353 114.232 108.800 0.132 0.000 2.415 253 G HA2 0.317 4.277 3.960 -0.000 0.000 0.269 253 G HA3 0.317 4.277 3.960 -0.000 0.000 0.269 253 G C 0.539 175.532 174.900 0.156 0.000 1.209 253 G CA -0.271 44.909 45.100 0.134 0.000 0.835 253 G HN 0.737 nan 8.290 nan 0.000 0.534 254 I N 1.255 121.918 120.570 0.155 0.000 2.493 254 I HA -0.064 4.106 4.170 -0.000 0.000 0.254 254 I C 2.601 178.842 176.117 0.207 0.000 1.160 254 I CA 1.119 62.526 61.300 0.179 0.000 1.445 254 I CB -0.014 38.078 38.000 0.153 0.000 1.086 254 I HN 0.573 nan 8.210 nan 0.000 0.433 255 R N -0.386 120.208 120.500 0.157 0.000 2.115 255 R HA -0.089 4.251 4.340 -0.000 0.000 0.226 255 R C 2.193 178.621 176.300 0.213 0.000 1.100 255 R CA 1.208 57.407 56.100 0.166 0.000 0.980 255 R CB -0.274 30.080 30.300 0.091 0.000 0.875 255 R HN 0.507 nan 8.270 nan 0.000 0.445 256 Q N 0.032 119.938 119.800 0.177 0.000 2.079 256 Q HA -0.081 4.259 4.340 -0.000 0.000 0.200 256 Q C 2.243 178.368 176.000 0.210 0.000 0.974 256 Q CA 1.497 57.398 55.803 0.163 0.000 0.840 256 Q CB -0.121 28.694 28.738 0.129 0.000 0.898 256 Q HN 0.353 nan 8.270 nan 0.000 0.430 257 A N 1.051 124.029 122.820 0.264 0.000 1.877 257 A HA -0.201 4.119 4.320 -0.000 0.000 0.216 257 A C 1.771 179.605 177.584 0.417 0.000 1.186 257 A CA 1.094 53.346 52.037 0.358 0.000 0.620 257 A CB -1.111 18.124 19.000 0.392 0.000 0.822 257 A HN 0.685 nan 8.150 nan 0.000 0.443 258 W N 0.609 122.043 121.300 0.223 0.000 2.358 258 W HA -0.188 4.471 4.660 -0.000 0.000 0.303 258 W C 2.209 178.829 176.519 0.170 0.000 1.208 258 W CA 2.002 59.472 57.345 0.209 0.000 1.274 258 W CB -0.339 29.201 29.460 0.133 0.000 1.138 258 W HN 0.602 nan 8.180 nan 0.000 0.515 259 Q N 0.499 120.456 119.800 0.261 0.000 2.084 259 Q HA -0.185 4.155 4.340 -0.000 0.000 0.202 259 Q C 2.378 178.406 176.000 0.046 0.000 0.978 259 Q CA 2.249 58.135 55.803 0.138 0.000 0.844 259 Q CB -0.441 28.387 28.738 0.151 0.000 0.898 259 Q HN 0.168 nan 8.270 nan 0.000 0.426 260 A N 0.708 123.570 122.820 0.071 0.000 1.902 260 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 260 A C 2.251 179.818 177.584 -0.028 0.000 1.181 260 A CA 1.748 53.801 52.037 0.027 0.000 0.623 260 A CB -0.903 18.126 19.000 0.047 0.000 0.818 260 A HN 0.560 nan 8.150 nan 0.000 0.443 261 A N -1.030 121.775 122.820 -0.025 0.000 1.898 261 A HA -0.050 4.270 4.320 -0.000 0.000 0.216 261 A C 2.468 179.973 177.584 -0.132 0.000 1.181 261 A CA 2.010 54.003 52.037 -0.073 0.000 0.620 261 A CB -0.913 18.123 19.000 0.061 0.000 0.819 261 A HN 0.555 nan 8.150 nan 0.000 0.442 262 S N -0.306 115.251 115.700 -0.238 0.000 2.368 262 S HA -0.055 4.415 4.470 -0.000 0.000 0.225 262 S C 2.156 176.737 174.600 -0.031 0.000 1.030 262 S CA 1.593 59.676 58.200 -0.196 0.000 0.999 262 S CB -0.440 62.633 63.200 -0.213 0.000 0.844 262 S HN 0.788 nan 8.310 nan 0.000 0.459 263 A N 1.128 123.934 122.820 -0.023 0.000 1.930 263 A HA 0.259 4.579 4.320 -0.000 0.000 0.217 263 A C 2.431 180.011 177.584 -0.007 0.000 1.175 263 A CA 1.712 53.749 52.037 -0.000 0.000 0.627 263 A CB -1.259 17.740 19.000 -0.001 0.000 0.815 263 A HN 0.732 nan 8.150 nan 0.000 0.443 264 A N -1.349 121.453 122.820 -0.028 0.000 1.930 264 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 264 A C 2.130 179.700 177.584 -0.023 0.000 1.175 264 A CA 1.666 53.672 52.037 -0.051 0.000 0.627 264 A CB -0.889 18.048 19.000 -0.105 0.000 0.815 264 A HN 0.737 nan 8.150 nan 0.000 0.443 265 H N 0.022 119.047 119.070 -0.075 0.000 2.357 265 H HA -0.010 4.546 4.556 -0.000 0.000 0.301 265 H C 2.208 177.519 175.328 -0.029 0.000 1.082 265 H CA 1.606 57.625 56.048 -0.048 0.000 1.342 265 H CB -0.114 29.620 29.762 -0.046 0.000 1.389 265 H HN 0.406 nan 8.280 nan 0.000 0.511 266 A N 0.984 123.858 122.820 0.089 0.000 2.015 266 A HA -0.086 4.234 4.320 -0.000 0.000 0.219 266 A C 2.458 180.028 177.584 -0.023 0.000 1.163 266 A CA 1.104 53.169 52.037 0.047 0.000 0.646 266 A CB -0.552 18.486 19.000 0.064 0.000 0.806 266 A HN 0.419 nan 8.150 nan 0.000 0.448 267 L N -0.365 120.837 121.223 -0.036 0.000 2.131 267 L HA 0.130 4.470 4.340 -0.000 0.000 0.206 267 L C 1.397 178.225 176.870 -0.070 0.000 1.087 267 L CA 1.393 56.205 54.840 -0.046 0.000 0.767 267 L CB -0.578 41.455 42.059 -0.044 0.000 0.917 267 L HN 0.238 nan 8.230 nan 0.000 0.441 268 S N 0.159 115.795 115.700 -0.107 0.000 2.572 268 S HA 0.150 4.620 4.470 -0.000 0.000 0.279 268 S C 1.095 175.620 174.600 -0.126 0.000 1.341 268 S CA -0.433 57.693 58.200 -0.123 0.000 1.043 268 S CB 0.286 63.392 63.200 -0.158 0.000 0.887 268 S HN 0.551 nan 8.310 nan 0.000 0.516 269 R N 2.222 122.668 120.500 -0.090 0.000 2.565 269 R HA 0.221 4.561 4.340 -0.000 0.000 0.347 269 R C -0.032 176.233 176.300 -0.060 0.000 1.010 269 R CA -0.255 55.802 56.100 -0.070 0.000 1.126 269 R CB -0.846 29.426 30.300 -0.046 0.000 1.331 269 R HN 0.422 nan 8.270 nan 0.000 0.552 270 S N 0.938 116.598 115.700 -0.068 0.000 2.442 270 S HA 0.271 4.740 4.470 -0.000 0.000 0.297 270 S C 0.124 174.698 174.600 -0.043 0.000 1.131 270 S CA -0.485 57.688 58.200 -0.045 0.000 1.092 270 S CB 1.367 64.544 63.200 -0.037 0.000 0.998 270 S HN 0.087 nan 8.310 nan 0.000 0.478 271 D N 3.820 124.209 120.400 -0.019 0.000 2.123 271 D HA -0.105 4.535 4.640 -0.000 0.000 0.196 271 D C 1.618 177.929 176.300 0.018 0.000 0.992 271 D CA 1.578 55.579 54.000 0.002 0.000 0.833 271 D CB 0.051 40.861 40.800 0.017 0.000 0.954 271 D HN 0.789 nan 8.370 nan 0.000 0.455 272 E N 0.389 120.599 120.200 0.016 0.000 2.072 272 E HA -0.096 4.254 4.350 -0.000 0.000 0.191 272 E C 2.099 178.718 176.600 0.032 0.000 0.985 272 E CA 0.993 57.411 56.400 0.031 0.000 0.801 272 E CB -0.042 29.673 29.700 0.025 0.000 0.750 272 E HN 0.208 nan 8.360 nan 0.000 0.452 273 A N 1.715 124.536 122.820 0.003 0.000 1.898 273 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 273 A C 2.064 179.649 177.584 0.001 0.000 1.181 273 A CA 1.036 53.066 52.037 -0.011 0.000 0.620 273 A CB -0.304 18.667 19.000 -0.049 0.000 0.819 273 A HN 0.046 nan 8.150 nan 0.000 0.442 274 R N -0.201 120.279 120.500 -0.034 0.000 2.091 274 R HA -0.189 4.151 4.340 -0.000 0.000 0.238 274 R C 2.048 178.454 176.300 0.176 0.000 1.136 274 R CA 1.702 57.784 56.100 -0.029 0.000 0.959 274 R CB -0.938 29.270 30.300 -0.152 0.000 0.856 274 R HN 0.710 nan 8.270 nan 0.000 0.437 275 N N 0.802 119.583 118.700 0.134 0.000 2.120 275 N HA -0.131 4.609 4.740 -0.000 0.000 0.188 275 N C 1.608 177.228 175.510 0.184 0.000 1.024 275 N CA 1.868 55.014 53.050 0.160 0.000 0.852 275 N CB -0.081 38.477 38.487 0.119 0.000 1.003 275 N HN -0.010 nan 8.380 nan 0.000 0.424 276 S N -0.076 115.722 115.700 0.164 0.000 2.370 276 S HA -0.058 4.412 4.470 -0.000 0.000 0.226 276 S C 1.918 176.680 174.600 0.270 0.000 1.033 276 S CA 1.125 59.459 58.200 0.223 0.000 1.011 276 S CB -0.344 62.955 63.200 0.164 0.000 0.852 276 S HN 0.370 nan 8.310 nan 0.000 0.457 277 I N 1.061 121.744 120.570 0.188 0.000 2.315 277 I HA -0.155 4.015 4.170 -0.000 0.000 0.248 277 I C 2.566 178.823 176.117 0.234 0.000 1.117 277 I CA 0.925 62.331 61.300 0.178 0.000 1.404 277 I CB -0.259 37.830 38.000 0.148 0.000 1.071 277 I HN 0.150 nan 8.210 nan 0.000 0.419 278 R N 0.460 121.105 120.500 0.242 0.000 2.096 278 R HA -0.083 4.257 4.340 -0.000 0.000 0.235 278 R C 2.296 178.737 176.300 0.235 0.000 1.127 278 R CA 1.077 57.305 56.100 0.213 0.000 0.968 278 R CB -0.875 29.558 30.300 0.221 0.000 0.861 278 R HN 0.277 nan 8.270 nan 0.000 0.440 279 V N -0.411 119.663 119.914 0.266 0.000 2.427 279 V HA -0.218 3.902 4.120 -0.000 0.000 0.248 279 V C 1.986 178.283 176.094 0.339 0.000 1.051 279 V CA 1.484 63.952 62.300 0.281 0.000 1.048 279 V CB -0.535 31.487 31.823 0.332 0.000 0.666 279 V HN 0.371 nan 8.190 nan 0.000 0.456 280 W N 0.758 122.133 121.300 0.125 0.000 2.381 280 W HA -0.166 4.494 4.660 -0.000 0.000 0.301 280 W C 2.560 179.080 176.519 0.002 0.000 1.205 280 W CA 1.727 58.971 57.345 -0.169 0.000 1.285 280 W CB -0.211 29.016 29.460 -0.389 0.000 1.133 280 W HN 0.229 nan 8.180 nan 0.000 0.521 281 Q N -0.421 119.497 119.800 0.197 0.000 2.135 281 Q HA -0.316 4.024 4.340 -0.000 0.000 0.204 281 Q C 2.165 178.302 176.000 0.228 0.000 0.981 281 Q CA 1.897 57.803 55.803 0.172 0.000 0.856 281 Q CB -0.495 28.298 28.738 0.093 0.000 0.902 281 Q HN 0.465 nan 8.270 nan 0.000 0.425 282 Q N 0.291 120.152 119.800 0.102 0.000 2.291 282 Q HA -0.163 4.177 4.340 -0.000 0.000 0.205 282 Q C 1.529 177.473 176.000 -0.093 0.000 0.970 282 Q CA 0.730 56.447 55.803 -0.145 0.000 0.876 282 Q CB 0.321 28.805 28.738 -0.424 0.000 0.935 282 Q HN 0.239 nan 8.270 nan 0.000 0.455 283 E N 0.380 120.524 120.200 -0.092 0.000 2.150 283 E HA -0.142 4.208 4.350 -0.000 0.000 0.193 283 E C 1.932 178.440 176.600 -0.155 0.000 0.985 283 E CA 0.740 57.070 56.400 -0.115 0.000 0.814 283 E CB -0.053 29.483 29.700 -0.273 0.000 0.752 283 E HN 0.475 nan 8.360 nan 0.000 0.466 284 L N 0.181 121.275 121.223 -0.215 0.000 2.201 284 L HA -0.090 4.250 4.340 -0.000 0.000 0.212 284 L C 2.422 179.182 176.870 -0.184 0.000 1.105 284 L CA 0.849 55.618 54.840 -0.118 0.000 0.775 284 L CB -0.467 41.638 42.059 0.076 0.000 0.913 284 L HN 0.042 nan 8.230 nan 0.000 0.440 285 A N -0.552 122.048 122.820 -0.366 0.000 1.897 285 A HA -0.194 4.126 4.320 -0.000 0.000 0.215 285 A C 1.904 179.237 177.584 -0.418 0.000 1.181 285 A CA 0.982 52.514 52.037 -0.842 0.000 0.620 285 A CB -0.795 17.831 19.000 -0.623 0.000 0.821 285 A HN 0.467 nan 8.150 nan 0.000 0.443 286 W N 0.033 121.157 121.300 -0.294 0.000 2.363 286 W HA -0.120 4.540 4.660 -0.000 0.000 0.296 286 W C 2.559 178.948 176.519 -0.217 0.000 1.212 286 W CA 1.734 58.882 57.345 -0.328 0.000 1.260 286 W CB -0.077 29.133 29.460 -0.417 0.000 1.131 286 W HN 0.345 nan 8.180 nan 0.000 0.530 287 R N 0.981 121.525 120.500 0.074 0.000 2.083 287 R HA -0.198 4.142 4.340 -0.000 0.000 0.237 287 R C 1.864 178.183 176.300 0.031 0.000 1.137 287 R CA 2.085 58.236 56.100 0.086 0.000 0.951 287 R CB -0.449 29.868 30.300 0.028 0.000 0.851 287 R HN 0.189 nan 8.270 nan 0.000 0.434 288 E N -0.242 119.910 120.200 -0.081 0.000 2.150 288 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 288 E C 1.830 178.215 176.600 -0.358 0.000 0.985 288 E CA 0.902 57.234 56.400 -0.113 0.000 0.814 288 E CB -0.288 29.384 29.700 -0.047 0.000 0.752 288 E HN 0.336 nan 8.360 nan 0.000 0.466 289 F N 1.448 120.930 119.950 -0.780 0.000 2.095 289 F HA -0.266 4.261 4.527 -0.000 0.000 0.298 289 F C 1.942 177.407 175.800 -0.558 0.000 1.104 289 F CA 1.470 58.697 58.000 -1.288 0.000 1.232 289 F CB -0.466 37.767 39.000 -1.279 0.000 0.987 289 F HN -0.075 nan 8.300 nan 0.000 0.475 290 Y N 0.663 120.787 120.300 -0.292 0.000 2.242 290 Y HA -0.146 4.404 4.550 -0.000 0.000 0.291 290 Y C 2.617 178.434 175.900 -0.138 0.000 1.137 290 Y CA 1.475 59.425 58.100 -0.248 0.000 1.181 290 Y CB -1.123 37.303 38.460 -0.058 0.000 0.989 290 Y HN 0.219 nan 8.280 nan 0.000 0.527 291 Q N -0.939 118.921 119.800 0.099 0.000 2.079 291 Q HA -0.182 4.158 4.340 -0.000 0.000 0.200 291 Q C 1.913 178.009 176.000 0.161 0.000 0.974 291 Q CA 1.412 57.300 55.803 0.142 0.000 0.840 291 Q CB -0.366 28.476 28.738 0.175 0.000 0.898 291 Q HN 0.705 nan 8.270 nan 0.000 0.430 292 H N -0.156 118.876 119.070 -0.064 0.000 2.387 292 H HA -0.062 4.494 4.556 -0.000 0.000 0.299 292 H C 2.115 177.428 175.328 -0.026 0.000 1.090 292 H CA 0.575 56.590 56.048 -0.054 0.000 1.332 292 H CB 0.203 30.039 29.762 0.124 0.000 1.386 292 H HN 0.290 nan 8.280 nan 0.000 0.516 293 A N 1.275 124.104 122.820 0.014 0.000 1.877 293 A HA -0.152 4.168 4.320 -0.000 0.000 0.216 293 A C 2.333 179.981 177.584 0.107 0.000 1.186 293 A CA 1.174 53.240 52.037 0.047 0.000 0.620 293 A CB -0.642 18.267 19.000 -0.152 0.000 0.822 293 A HN 0.293 nan 8.150 nan 0.000 0.443 294 L N -1.601 119.673 121.223 0.084 0.000 2.083 294 L HA -0.143 4.196 4.340 -0.000 0.000 0.209 294 L C 2.258 179.175 176.870 0.078 0.000 1.083 294 L CA 2.308 57.206 54.840 0.095 0.000 0.752 294 L CB -0.929 41.190 42.059 0.100 0.000 0.899 294 L HN 0.529 nan 8.230 nan 0.000 0.433 295 Y N -0.677 119.569 120.300 -0.090 0.000 2.145 295 Y HA -0.268 4.282 4.550 -0.000 0.000 0.286 295 Y C 2.683 178.431 175.900 -0.254 0.000 1.145 295 Y CA 2.213 60.206 58.100 -0.177 0.000 1.148 295 Y CB -0.241 38.023 38.460 -0.327 0.000 0.981 295 Y HN 0.343 nan 8.280 nan 0.000 0.507 296 H N -1.496 117.505 119.070 -0.115 0.000 2.428 296 H HA 0.023 4.579 4.556 -0.000 0.000 0.296 296 H C -0.202 174.752 175.328 -0.624 0.000 1.062 296 H CA 1.079 56.831 56.048 -0.492 0.000 1.350 296 H CB -0.187 29.072 29.762 -0.837 0.000 1.403 296 H HN 0.247 nan 8.280 nan 0.000 0.533 297 F N 1.320 121.347 119.950 0.127 0.000 2.531 297 F HA 0.284 4.811 4.527 -0.000 0.000 0.333 297 F C -1.699 174.125 175.800 0.040 0.000 1.292 297 F CA -2.830 55.218 58.000 0.080 0.000 1.184 297 F CB 1.155 40.148 39.000 -0.012 0.000 1.426 297 F HN -0.082 nan 8.300 nan 0.000 0.559 298 P HA -0.193 nan 4.420 nan 0.000 0.221 298 P C 1.533 178.925 177.300 0.153 0.000 1.145 298 P CA 1.478 64.643 63.100 0.108 0.000 0.795 298 P CB 0.131 31.857 31.700 0.044 0.000 0.775 299 S N -0.614 115.218 115.700 0.221 0.000 2.500 299 S HA -0.083 4.386 4.470 -0.000 0.000 0.239 299 S C 2.013 176.776 174.600 0.272 0.000 0.989 299 S CA 0.451 58.797 58.200 0.245 0.000 0.951 299 S CB -1.609 61.771 63.200 0.299 0.000 0.759 299 S HN 0.088 nan 8.310 nan 0.000 0.523 300 L N 0.978 122.326 121.223 0.208 0.000 2.127 300 L HA -0.108 4.232 4.340 -0.000 0.000 0.211 300 L C 3.060 180.049 176.870 0.199 0.000 1.089 300 L CA 1.257 56.184 54.840 0.144 0.000 0.757 300 L CB -0.741 41.313 42.059 -0.008 0.000 0.899 300 L HN 0.510 nan 8.230 nan 0.000 0.434 301 A N -0.617 122.299 122.820 0.161 0.000 2.067 301 A HA -0.194 4.126 4.320 -0.000 0.000 0.219 301 A C 1.769 179.435 177.584 0.136 0.000 1.158 301 A CA 1.585 53.710 52.037 0.147 0.000 0.661 301 A CB -0.372 18.696 19.000 0.113 0.000 0.801 301 A HN 0.375 nan 8.150 nan 0.000 0.452 302 D N -0.722 119.760 120.400 0.136 0.000 2.269 302 D HA 0.277 4.917 4.640 -0.000 0.000 0.208 302 D C 1.221 177.541 176.300 0.033 0.000 0.963 302 D CA 1.439 55.489 54.000 0.085 0.000 0.864 302 D CB 0.152 41.009 40.800 0.095 0.000 0.936 302 D HN 0.595 nan 8.370 nan 0.000 0.505 303 G N -0.200 108.655 108.800 0.092 0.000 2.302 303 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.276 303 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.276 303 G C -2.789 172.195 174.900 0.141 0.000 1.316 303 G CA -1.156 43.878 45.100 -0.109 0.000 0.988 303 G HN -0.190 nan 8.290 nan 0.000 0.479 304 P HA 0.076 nan 4.420 nan 0.000 0.257 304 P C -0.095 177.455 177.300 0.415 0.000 1.162 304 P CA 0.594 63.947 63.100 0.421 0.000 0.762 304 P CB 0.106 32.042 31.700 0.393 0.000 0.753 305 Y N 5.588 126.073 120.300 0.307 0.000 2.201 305 Y HA 0.060 4.610 4.550 -0.000 0.000 0.292 305 Y C 1.126 177.143 175.900 0.195 0.000 1.119 305 Y CA 1.021 59.248 58.100 0.211 0.000 1.127 305 Y CB 0.039 38.601 38.460 0.170 0.000 1.019 305 Y HN 0.149 nan 8.280 nan 0.000 0.514 306 R N 0.763 121.423 120.500 0.266 0.000 2.623 306 R HA 0.010 4.350 4.340 -0.000 0.000 0.271 306 R C 1.795 178.179 176.300 0.140 0.000 1.043 306 R CA 0.522 56.713 56.100 0.152 0.000 1.083 306 R CB 0.638 31.145 30.300 0.344 0.000 0.974 306 R HN 0.477 nan 8.270 nan 0.000 0.436 307 S N 3.461 119.173 115.700 0.020 0.000 2.372 307 S HA -0.225 4.245 4.470 -0.000 0.000 0.227 307 S C 1.828 176.433 174.600 0.009 0.000 1.044 307 S CA 1.160 59.360 58.200 0.000 0.000 1.050 307 S CB -0.287 62.891 63.200 -0.038 0.000 0.901 307 S HN 0.625 nan 8.310 nan 0.000 0.447 308 L N 0.227 121.438 121.223 -0.019 0.000 2.012 308 L HA -0.047 4.293 4.340 -0.000 0.000 0.210 308 L C 2.214 178.974 176.870 -0.184 0.000 1.073 308 L CA 2.047 56.785 54.840 -0.170 0.000 0.748 308 L CB -1.587 40.298 42.059 -0.291 0.000 0.891 308 L HN 0.510 nan 8.230 nan 0.000 0.431 309 W N 0.403 121.772 121.300 0.115 0.000 2.525 309 W HA -0.115 4.545 4.660 -0.000 0.000 0.259 309 W C 2.596 179.220 176.519 0.175 0.000 1.253 309 W CA 0.462 57.909 57.345 0.171 0.000 1.262 309 W CB -0.171 29.436 29.460 0.245 0.000 1.122 309 W HN 0.329 nan 8.180 nan 0.000 0.607 310 Q N -0.156 119.803 119.800 0.264 0.000 2.436 310 Q HA -0.122 4.218 4.340 -0.000 0.000 0.209 310 Q C 1.399 177.464 176.000 0.108 0.000 0.965 310 Q CA 0.847 56.759 55.803 0.183 0.000 0.910 310 Q CB -0.062 28.736 28.738 0.100 0.000 0.980 310 Q HN 0.486 nan 8.270 nan 0.000 0.491 311 Q N -0.863 118.960 119.800 0.038 0.000 2.171 311 Q HA 0.132 4.471 4.340 -0.000 0.000 0.218 311 Q C -0.561 175.340 176.000 -0.165 0.000 0.822 311 Q CA -0.445 55.320 55.803 -0.064 0.000 0.987 311 Q CB 0.534 29.202 28.738 -0.118 0.000 1.144 311 Q HN 0.153 nan 8.270 nan 0.000 0.494 312 F N 4.923 124.674 119.950 -0.331 0.000 2.608 312 F HA 0.059 4.586 4.527 -0.000 0.000 0.380 312 F C -1.710 173.677 175.800 -0.688 0.000 1.083 312 F CA -2.106 55.504 58.000 -0.651 0.000 1.266 312 F CB 0.829 39.273 39.000 -0.927 0.000 1.076 312 F HN -0.037 nan 8.300 nan 0.000 0.574 313 P HA -0.023 nan 4.420 nan 0.000 0.230 313 P C -1.048 175.914 177.300 -0.563 0.000 1.791 313 P CA -0.164 62.497 63.100 -0.731 0.000 1.020 313 P CB -0.690 30.604 31.700 -0.676 0.000 1.977 314 W N 1.030 122.297 121.300 -0.055 0.000 2.314 314 W HA 0.031 4.691 4.660 -0.000 0.000 0.339 314 W C 1.828 178.340 176.519 -0.012 0.000 1.293 314 W CA -0.103 57.299 57.345 0.095 0.000 1.288 314 W CB 0.406 29.927 29.460 0.102 0.000 1.186 314 W HN 0.383 nan 8.180 nan 0.000 0.566 315 E N 2.084 122.438 120.200 0.256 0.000 2.112 315 E HA -0.244 4.105 4.350 -0.000 0.000 0.190 315 E C 0.401 177.067 176.600 0.110 0.000 0.979 315 E CA 0.796 57.269 56.400 0.122 0.000 0.814 315 E CB -0.046 29.717 29.700 0.106 0.000 0.762 315 E HN 0.510 nan 8.360 nan 0.000 0.460 316 N N 1.535 120.315 118.700 0.134 0.000 2.714 316 N HA -0.195 4.545 4.740 -0.000 0.000 0.253 316 N C -1.159 174.375 175.510 0.040 0.000 1.024 316 N CA 0.804 53.884 53.050 0.050 0.000 0.726 316 N CB -1.342 37.154 38.487 0.013 0.000 0.908 316 N HN 0.266 nan 8.380 nan 0.000 0.542 317 R N 0.779 121.318 120.500 0.065 0.000 2.291 317 R HA 0.022 4.361 4.340 -0.000 0.000 0.333 317 R C 1.386 177.743 176.300 0.095 0.000 1.082 317 R CA -0.332 55.810 56.100 0.070 0.000 0.948 317 R CB 0.688 31.033 30.300 0.075 0.000 1.009 317 R HN 0.190 nan 8.270 nan 0.000 0.460 318 E N 3.517 123.769 120.200 0.087 0.000 2.097 318 E HA -0.252 4.098 4.350 -0.000 0.000 0.196 318 E C 1.707 178.411 176.600 0.174 0.000 1.000 318 E CA 2.173 58.655 56.400 0.136 0.000 0.804 318 E CB 0.031 29.792 29.700 0.100 0.000 0.740 318 E HN 0.713 nan 8.360 nan 0.000 0.454 319 A N 0.232 123.124 122.820 0.121 0.000 1.940 319 A HA -0.181 4.139 4.320 -0.000 0.000 0.219 319 A C 2.290 179.948 177.584 0.123 0.000 1.176 319 A CA 1.583 53.685 52.037 0.108 0.000 0.631 319 A CB -0.689 18.361 19.000 0.083 0.000 0.814 319 A HN 0.351 nan 8.150 nan 0.000 0.446 320 L N -2.358 118.950 121.223 0.141 0.000 2.072 320 L HA -0.099 4.241 4.340 -0.000 0.000 0.205 320 L C 2.478 179.468 176.870 0.200 0.000 1.079 320 L CA 1.397 56.331 54.840 0.158 0.000 0.752 320 L CB -0.578 41.560 42.059 0.131 0.000 0.906 320 L HN 0.498 nan 8.230 nan 0.000 0.436 321 F N 1.178 121.165 119.950 0.062 0.000 2.102 321 F HA -0.227 4.300 4.527 -0.000 0.000 0.298 321 F C 2.462 178.339 175.800 0.129 0.000 1.105 321 F CA 2.028 60.065 58.000 0.063 0.000 1.239 321 F CB -0.589 38.402 39.000 -0.015 0.000 0.991 321 F HN -0.067 nan 8.300 nan 0.000 0.474 322 T N 0.814 115.362 114.554 -0.009 0.000 2.684 322 T HA -0.215 4.135 4.350 -0.000 0.000 0.267 322 T C 2.231 176.857 174.700 -0.124 0.000 1.036 322 T CA 1.650 63.679 62.100 -0.117 0.000 1.148 322 T CB -0.951 67.939 68.868 0.036 0.000 0.863 322 T HN 0.386 nan 8.240 nan 0.000 0.436 323 A N 0.349 123.167 122.820 -0.003 0.000 1.933 323 A HA -0.123 4.197 4.320 -0.000 0.000 0.218 323 A C 2.046 179.641 177.584 0.018 0.000 1.175 323 A CA 1.650 53.701 52.037 0.023 0.000 0.628 323 A CB -1.160 17.896 19.000 0.093 0.000 0.814 323 A HN 0.722 nan 8.150 nan 0.000 0.444 324 W N 1.701 122.910 121.300 -0.153 0.000 2.355 324 W HA -0.240 4.420 4.660 -0.000 0.000 0.309 324 W C 2.582 178.896 176.519 -0.342 0.000 1.206 324 W CA 3.110 60.364 57.345 -0.151 0.000 1.284 324 W CB -0.544 28.860 29.460 -0.094 0.000 1.145 324 W HN 0.417 nan 8.180 nan 0.000 0.502 325 T N -1.394 112.823 114.554 -0.561 0.000 2.915 325 T HA -0.214 4.136 4.350 -0.000 0.000 0.269 325 T C 1.385 175.774 174.700 -0.518 0.000 1.071 325 T CA 1.608 63.096 62.100 -1.019 0.000 1.132 325 T CB -0.469 67.649 68.868 -1.251 0.000 0.878 325 T HN 0.419 nan 8.240 nan 0.000 0.479 326 Q N 0.753 120.375 119.800 -0.296 0.000 2.246 326 Q HA 0.606 4.946 4.340 -0.000 0.000 0.202 326 Q C 0.907 176.840 176.000 -0.112 0.000 0.883 326 Q CA 0.111 55.828 55.803 -0.144 0.000 0.952 326 Q CB 0.247 28.940 28.738 -0.075 0.000 1.078 326 Q HN 0.657 nan 8.270 nan 0.000 0.493 327 A N 1.464 124.180 122.820 -0.172 0.000 2.687 327 A HA -0.204 4.116 4.320 -0.000 0.000 0.299 327 A C 0.480 178.049 177.584 -0.024 0.000 1.497 327 A CA 0.755 52.730 52.037 -0.104 0.000 0.751 327 A CB -1.131 17.832 19.000 -0.062 0.000 1.048 327 A HN 0.393 nan 8.150 nan 0.000 0.464 328 Q N -0.751 119.027 119.800 -0.037 0.000 2.158 328 Q HA 0.122 4.461 4.340 -0.000 0.000 0.306 328 Q C 1.478 177.467 176.000 -0.017 0.000 0.878 328 Q CA 0.699 56.472 55.803 -0.050 0.000 1.136 328 Q CB 0.247 28.962 28.738 -0.040 0.000 1.253 328 Q HN 1.093 nan 8.270 nan 0.000 0.441 329 T N -4.107 110.474 114.554 0.045 0.000 3.023 329 T HA 0.099 4.449 4.350 -0.000 0.000 0.266 329 T C 1.441 176.268 174.700 0.212 0.000 1.093 329 T CA 1.122 63.332 62.100 0.184 0.000 1.129 329 T CB 0.212 69.180 68.868 0.168 0.000 0.899 329 T HN 0.440 nan 8.240 nan 0.000 0.491 330 G N 0.293 109.090 108.800 -0.004 0.000 2.176 330 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.253 330 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.253 330 G C -0.214 174.742 174.900 0.093 0.000 0.979 330 G CA 0.068 45.094 45.100 -0.124 0.000 0.641 330 G HN 0.610 nan 8.290 nan 0.000 0.530 331 Y N 0.462 120.796 120.300 0.057 0.000 2.491 331 Y HA 0.456 5.006 4.550 -0.000 0.000 0.334 331 Y C -0.929 175.019 175.900 0.080 0.000 0.969 331 Y CA -2.028 56.086 58.100 0.024 0.000 1.241 331 Y CB 1.702 40.030 38.460 -0.220 0.000 1.105 331 Y HN -0.029 nan 8.280 nan 0.000 0.503 332 P HA -0.291 nan 4.420 nan 0.000 0.217 332 P C 1.850 179.225 177.300 0.125 0.000 1.162 332 P CA 1.505 64.683 63.100 0.130 0.000 0.901 332 P CB 0.328 32.034 31.700 0.009 0.000 0.793 333 I N -1.011 119.640 120.570 0.134 0.000 2.286 333 I HA -0.185 3.985 4.170 -0.000 0.000 0.248 333 I C 1.920 178.113 176.117 0.127 0.000 1.115 333 I CA 1.583 62.977 61.300 0.158 0.000 1.392 333 I CB -0.718 37.365 38.000 0.140 0.000 1.065 333 I HN -0.225 nan 8.210 nan 0.000 0.418 334 V N 0.618 120.560 119.914 0.047 0.000 2.323 334 V HA -0.220 3.900 4.120 -0.000 0.000 0.244 334 V C 2.159 178.236 176.094 -0.029 0.000 1.041 334 V CA 2.036 64.309 62.300 -0.044 0.000 1.025 334 V CB -0.887 30.743 31.823 -0.321 0.000 0.656 334 V HN 0.361 nan 8.190 nan 0.000 0.451 335 D N 0.597 121.014 120.400 0.028 0.000 2.144 335 D HA -0.092 4.548 4.640 -0.000 0.000 0.200 335 D C 2.218 178.539 176.300 0.033 0.000 0.978 335 D CA 1.557 55.581 54.000 0.041 0.000 0.833 335 D CB -0.283 40.629 40.800 0.187 0.000 0.961 335 D HN 0.427 nan 8.370 nan 0.000 0.470 336 A N 1.121 123.984 122.820 0.071 0.000 1.902 336 A HA -0.045 4.275 4.320 -0.000 0.000 0.217 336 A C 2.317 179.864 177.584 -0.062 0.000 1.181 336 A CA 2.130 54.196 52.037 0.049 0.000 0.623 336 A CB -0.618 18.418 19.000 0.059 0.000 0.818 336 A HN 0.238 nan 8.150 nan 0.000 0.443 337 A N -0.938 121.917 122.820 0.058 0.000 1.873 337 A HA -0.077 4.243 4.320 -0.000 0.000 0.215 337 A C 2.133 179.615 177.584 -0.170 0.000 1.186 337 A CA 1.911 53.949 52.037 0.002 0.000 0.616 337 A CB -0.455 18.578 19.000 0.054 0.000 0.823 337 A HN 0.404 nan 8.150 nan 0.000 0.442 338 M N -0.536 118.959 119.600 -0.175 0.000 2.229 338 M HA -0.045 4.434 4.480 -0.000 0.000 0.264 338 M C 2.093 178.266 176.300 -0.212 0.000 1.063 338 M CA 1.130 56.277 55.300 -0.255 0.000 1.114 338 M CB -1.206 31.163 32.600 -0.385 0.000 1.387 338 M HN 0.335 nan 8.290 nan 0.000 0.420 339 R N -0.008 120.391 120.500 -0.168 0.000 2.075 339 R HA -0.140 4.200 4.340 -0.000 0.000 0.232 339 R C 2.099 178.246 176.300 -0.255 0.000 1.126 339 R CA 1.220 57.254 56.100 -0.110 0.000 0.963 339 R CB -0.669 29.649 30.300 0.031 0.000 0.858 339 R HN 0.573 nan 8.270 nan 0.000 0.435 340 Q N 0.751 120.183 119.800 -0.614 0.000 2.096 340 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 340 Q C 2.097 177.821 176.000 -0.460 0.000 0.982 340 Q CA 1.392 56.538 55.803 -1.095 0.000 0.850 340 Q CB -0.080 27.818 28.738 -1.400 0.000 0.901 340 Q HN 0.160 nan 8.270 nan 0.000 0.422 341 L N 0.654 121.680 121.223 -0.328 0.000 1.994 341 L HA -0.160 4.180 4.340 -0.000 0.000 0.208 341 L C 2.486 179.294 176.870 -0.104 0.000 1.071 341 L CA 2.738 57.440 54.840 -0.230 0.000 0.745 341 L CB -1.158 40.722 42.059 -0.298 0.000 0.892 341 L HN 0.459 nan 8.230 nan 0.000 0.431 342 T N -3.522 110.959 114.554 -0.121 0.000 2.867 342 T HA -0.141 4.209 4.350 -0.000 0.000 0.268 342 T C 1.587 176.365 174.700 0.131 0.000 1.057 342 T CA 1.493 63.569 62.100 -0.039 0.000 1.136 342 T CB -0.554 68.265 68.868 -0.081 0.000 0.874 342 T HN 0.570 nan 8.240 nan 0.000 0.466 343 E N 0.975 121.217 120.200 0.071 0.000 2.250 343 E HA 0.016 4.366 4.350 -0.000 0.000 0.192 343 E C 2.017 178.696 176.600 0.131 0.000 0.986 343 E CA 1.330 57.782 56.400 0.087 0.000 0.849 343 E CB 0.134 29.911 29.700 0.128 0.000 0.797 343 E HN 0.801 nan 8.360 nan 0.000 0.482 344 T N -4.018 110.678 114.554 0.237 0.000 3.058 344 T HA 0.310 4.659 4.350 -0.000 0.000 0.278 344 T C 1.392 176.390 174.700 0.496 0.000 0.974 344 T CA 0.323 62.642 62.100 0.365 0.000 0.893 344 T CB 0.926 69.952 68.868 0.263 0.000 1.138 344 T HN 0.186 nan 8.240 nan 0.000 0.529 345 G N 0.732 109.749 108.800 0.361 0.000 2.168 345 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.257 345 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.257 345 G C -0.233 174.737 174.900 0.117 0.000 0.997 345 G CA 0.367 45.517 45.100 0.084 0.000 0.708 345 G HN 0.784 nan 8.290 nan 0.000 0.520 346 W N -0.819 120.426 121.300 -0.092 0.000 3.167 346 W HA 0.766 5.426 4.660 -0.000 0.000 0.324 346 W C -0.863 175.556 176.519 -0.167 0.000 1.230 346 W CA -1.194 56.077 57.345 -0.123 0.000 1.184 346 W CB 1.192 30.628 29.460 -0.040 0.000 1.414 346 W HN 0.202 nan 8.180 nan 0.000 0.551 347 M N 4.385 123.395 119.600 -0.983 0.000 2.421 347 M HA 0.239 4.719 4.480 -0.000 0.000 0.287 347 M C -1.299 174.156 176.300 -1.409 0.000 1.183 347 M CA -0.840 53.950 55.300 -0.851 0.000 0.916 347 M CB 1.794 34.038 32.600 -0.593 0.000 1.701 347 M HN 0.698 nan 8.290 nan 0.000 0.470 348 H N 3.261 121.769 119.070 -0.936 0.000 2.897 348 H HA 0.047 4.602 4.556 -0.000 0.000 0.347 348 H C 0.934 175.909 175.328 -0.588 0.000 1.068 348 H CA 1.426 57.060 56.048 -0.690 0.000 1.426 348 H CB 0.766 30.349 29.762 -0.297 0.000 1.410 348 H HN 0.773 nan 8.280 nan 0.000 0.597 349 N N 3.116 121.335 118.700 -0.801 0.000 2.104 349 N HA -0.255 4.485 4.740 -0.000 0.000 0.190 349 N C 1.923 177.191 175.510 -0.404 0.000 1.024 349 N CA 1.265 53.972 53.050 -0.572 0.000 0.853 349 N CB 0.005 38.151 38.487 -0.567 0.000 1.008 349 N HN 0.608 nan 8.380 nan 0.000 0.424 350 R N 1.048 121.441 120.500 -0.178 0.000 2.120 350 R HA -0.004 4.336 4.340 -0.000 0.000 0.234 350 R C 2.275 178.438 176.300 -0.228 0.000 1.123 350 R CA 1.446 57.376 56.100 -0.284 0.000 0.975 350 R CB -1.144 28.918 30.300 -0.396 0.000 0.866 350 R HN 0.341 nan 8.270 nan 0.000 0.446 351 C N -0.013 119.179 119.300 -0.180 0.000 2.457 351 C HA 0.118 4.578 4.460 -0.000 0.000 0.278 351 C C 2.434 177.368 174.990 -0.093 0.000 1.309 351 C CA 0.559 59.486 59.018 -0.152 0.000 1.735 351 C CB -0.751 26.872 27.740 -0.195 0.000 1.992 351 C HN 0.512 nan 8.230 nan 0.000 0.493 352 R N 0.529 120.925 120.500 -0.172 0.000 2.081 352 R HA -0.104 4.236 4.340 -0.000 0.000 0.235 352 R C 2.159 178.340 176.300 -0.198 0.000 1.131 352 R CA 1.394 57.444 56.100 -0.083 0.000 0.960 352 R CB -0.368 29.828 30.300 -0.173 0.000 0.856 352 R HN 0.554 nan 8.270 nan 0.000 0.436 353 M N 0.264 119.672 119.600 -0.320 0.000 2.117 353 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 353 M C 2.278 178.617 176.300 0.066 0.000 1.065 353 M CA 1.699 56.800 55.300 -0.331 0.000 1.114 353 M CB -0.310 32.029 32.600 -0.436 0.000 1.361 353 M HN 0.100 nan 8.290 nan 0.000 0.408 354 I N -0.069 120.579 120.570 0.129 0.000 2.179 354 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 354 I C 2.420 178.681 176.117 0.240 0.000 1.088 354 I CA 1.411 62.866 61.300 0.257 0.000 1.357 354 I CB -0.520 37.581 38.000 0.169 0.000 1.051 354 I HN 0.234 nan 8.210 nan 0.000 0.409 355 V N -1.016 119.036 119.914 0.230 0.000 2.667 355 V HA -0.055 4.065 4.120 -0.000 0.000 0.252 355 V C 2.457 178.830 176.094 0.465 0.000 1.065 355 V CA 1.410 63.978 62.300 0.448 0.000 1.083 355 V CB -1.062 31.062 31.823 0.502 0.000 0.692 355 V HN 0.305 nan 8.190 nan 0.000 0.468 356 A N 0.461 123.311 122.820 0.051 0.000 1.872 356 A HA -0.130 4.190 4.320 -0.000 0.000 0.214 356 A C 2.558 180.052 177.584 -0.150 0.000 1.187 356 A CA 2.047 53.854 52.037 -0.384 0.000 0.614 356 A CB -1.034 17.368 19.000 -0.996 0.000 0.826 356 A HN 0.594 nan 8.150 nan 0.000 0.442 357 S N -1.521 114.105 115.700 -0.123 0.000 2.382 357 S HA -0.166 4.304 4.470 -0.000 0.000 0.228 357 S C 1.757 176.313 174.600 -0.072 0.000 1.027 357 S CA 1.644 59.698 58.200 -0.244 0.000 0.991 357 S CB -0.534 62.448 63.200 -0.363 0.000 0.823 357 S HN 0.520 nan 8.310 nan 0.000 0.469 358 F N 1.662 121.593 119.950 -0.032 0.000 2.075 358 F HA -0.013 4.514 4.527 -0.000 0.000 0.297 358 F C 1.915 177.676 175.800 -0.065 0.000 1.113 358 F CA 1.580 59.573 58.000 -0.012 0.000 1.218 358 F CB -0.665 38.379 39.000 0.074 0.000 0.984 358 F HN 0.291 nan 8.300 nan 0.000 0.472 359 L N -0.079 121.125 121.223 -0.031 0.000 2.012 359 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 359 L C 2.255 179.015 176.870 -0.184 0.000 1.073 359 L CA 2.576 57.206 54.840 -0.349 0.000 0.748 359 L CB -1.261 40.351 42.059 -0.745 0.000 0.891 359 L HN 0.203 nan 8.230 nan 0.000 0.431 360 T N -0.410 114.105 114.554 -0.065 0.000 2.732 360 T HA -0.093 4.257 4.350 -0.000 0.000 0.261 360 T C 1.853 176.588 174.700 0.058 0.000 1.040 360 T CA 1.376 63.514 62.100 0.063 0.000 1.145 360 T CB -0.066 68.824 68.868 0.037 0.000 0.866 360 T HN 0.209 nan 8.240 nan 0.000 0.427 361 K N 1.064 121.295 120.400 -0.281 0.000 2.128 361 K HA 0.107 4.427 4.320 -0.000 0.000 0.202 361 K C 1.917 178.372 176.600 -0.242 0.000 1.050 361 K CA 1.122 57.060 56.287 -0.582 0.000 0.966 361 K CB -0.414 31.663 32.500 -0.704 0.000 0.759 361 K HN 0.322 nan 8.250 nan 0.000 0.454 362 D N 0.798 121.013 120.400 -0.309 0.000 2.149 362 D HA 0.027 4.666 4.640 -0.000 0.000 0.206 362 D C 1.865 177.974 176.300 -0.317 0.000 0.967 362 D CA 0.680 54.446 54.000 -0.390 0.000 0.848 362 D CB 0.153 40.397 40.800 -0.927 0.000 0.998 362 D HN -0.027 nan 8.370 nan 0.000 0.474 363 L N 0.361 121.360 121.223 -0.374 0.000 2.341 363 L HA 0.189 4.529 4.340 -0.000 0.000 0.214 363 L C 0.335 177.233 176.870 0.046 0.000 1.115 363 L CA 0.089 54.831 54.840 -0.164 0.000 0.820 363 L CB -0.110 41.840 42.059 -0.180 0.000 0.944 363 L HN 0.123 nan 8.230 nan 0.000 0.452 364 I N 0.871 121.542 120.570 0.170 0.000 6.673 364 I HA -0.246 3.924 4.170 -0.000 0.000 0.126 364 I C -0.560 175.813 176.117 0.426 0.000 1.823 364 I CA 0.282 61.859 61.300 0.462 0.000 2.064 364 I CB -1.575 36.684 38.000 0.432 0.000 3.515 364 I HN 0.083 nan 8.210 nan 0.000 0.178 365 I N 1.605 122.294 120.570 0.198 0.000 2.377 365 I HA 0.228 4.398 4.170 -0.000 0.000 0.293 365 I C 0.909 176.772 176.117 -0.423 0.000 0.987 365 I CA -0.161 61.114 61.300 -0.041 0.000 1.185 365 I CB 1.283 39.192 38.000 -0.151 0.000 1.341 365 I HN 0.127 nan 8.210 nan 0.000 0.455 366 D N 7.020 126.969 120.400 -0.752 0.000 2.662 366 D HA -0.167 4.473 4.640 -0.000 0.000 0.233 366 D C 1.391 177.017 176.300 -1.123 0.000 1.129 366 D CA 0.103 53.094 54.000 -1.682 0.000 0.851 366 D CB 0.626 40.775 40.800 -1.084 0.000 1.152 366 D HN 0.621 nan 8.370 nan 0.000 0.507 367 W N 4.532 125.169 121.300 -1.106 0.000 2.538 367 W HA -0.102 4.558 4.660 -0.000 0.000 0.254 367 W C 1.181 177.260 176.519 -0.734 0.000 1.249 367 W CA -0.423 56.507 57.345 -0.691 0.000 1.253 367 W CB -0.519 28.774 29.460 -0.279 0.000 1.130 367 W HN 0.371 nan 8.180 nan 0.000 0.618 368 R N 0.521 120.630 120.500 -0.652 0.000 2.193 368 R HA -0.091 4.249 4.340 -0.000 0.000 0.229 368 R C 2.409 178.445 176.300 -0.441 0.000 1.110 368 R CA 1.060 56.874 56.100 -0.476 0.000 0.988 368 R CB -0.171 29.783 30.300 -0.577 0.000 0.871 368 R HN -0.006 nan 8.270 nan 0.000 0.458 369 R N -0.545 119.619 120.500 -0.561 0.000 2.092 369 R HA -0.015 4.325 4.340 -0.000 0.000 0.231 369 R C 2.195 178.277 176.300 -0.364 0.000 1.119 369 R CA 1.476 57.226 56.100 -0.583 0.000 0.970 369 R CB -0.879 28.814 30.300 -1.011 0.000 0.864 369 R HN 0.330 nan 8.270 nan 0.000 0.440 370 G N 0.821 109.214 108.800 -0.679 0.000 2.403 370 G HA2 -0.252 3.707 3.960 -0.000 0.000 0.216 370 G HA3 -0.252 3.707 3.960 -0.000 0.000 0.216 370 G C 1.389 175.573 174.900 -1.193 0.000 1.154 370 G CA 0.495 45.008 45.100 -0.978 0.000 0.784 370 G HN 0.423 nan 8.290 nan 0.000 0.538 371 E N 0.170 119.462 120.200 -1.513 0.000 2.058 371 E HA -0.270 4.080 4.350 -0.000 0.000 0.194 371 E C 2.329 178.819 176.600 -0.184 0.000 0.997 371 E CA 1.505 57.331 56.400 -0.956 0.000 0.801 371 E CB -0.238 29.239 29.700 -0.370 0.000 0.746 371 E HN 0.619 nan 8.360 nan 0.000 0.450 372 Q N -0.509 119.225 119.800 -0.110 0.000 2.050 372 Q HA -0.199 4.141 4.340 -0.000 0.000 0.202 372 Q C 2.069 178.211 176.000 0.236 0.000 0.980 372 Q CA 1.587 57.426 55.803 0.060 0.000 0.840 372 Q CB -0.298 28.456 28.738 0.026 0.000 0.898 372 Q HN 0.373 nan 8.270 nan 0.000 0.424 373 F N 0.149 120.256 119.950 0.261 0.000 2.126 373 F HA -0.207 4.320 4.527 -0.000 0.000 0.299 373 F C 1.583 177.727 175.800 0.573 0.000 1.096 373 F CA 1.178 59.468 58.000 0.483 0.000 1.255 373 F CB -0.249 39.158 39.000 0.679 0.000 0.997 373 F HN 0.125 nan 8.300 nan 0.000 0.479 374 F N -0.187 119.960 119.950 0.329 0.000 2.134 374 F HA -0.240 4.287 4.527 -0.000 0.000 0.299 374 F C 2.341 178.186 175.800 0.076 0.000 1.097 374 F CA 1.149 59.294 58.000 0.242 0.000 1.264 374 F CB -0.953 38.312 39.000 0.440 0.000 1.001 374 F HN -0.030 nan 8.300 nan 0.000 0.479 375 M N -0.540 119.211 119.600 0.252 0.000 2.296 375 M HA -0.169 4.311 4.480 -0.000 0.000 0.265 375 M C 1.721 178.010 176.300 -0.019 0.000 1.064 375 M CA 1.342 56.699 55.300 0.095 0.000 1.109 375 M CB -1.321 31.327 32.600 0.080 0.000 1.396 375 M HN 0.263 nan 8.290 nan 0.000 0.430 376 Q N -1.477 118.281 119.800 -0.070 0.000 2.444 376 Q HA -0.049 4.290 4.340 -0.000 0.000 0.206 376 Q C 1.005 176.638 176.000 -0.611 0.000 0.948 376 Q CA 0.588 56.228 55.803 -0.272 0.000 0.946 376 Q CB 0.293 28.881 28.738 -0.251 0.000 1.027 376 Q HN 0.620 nan 8.270 nan 0.000 0.513 377 H N -1.576 117.341 119.070 -0.254 0.000 3.734 377 H HA 0.209 4.765 4.556 -0.000 0.000 0.253 377 H C 0.007 175.174 175.328 -0.267 0.000 1.072 377 H CA -0.130 55.743 56.048 -0.291 0.000 1.147 377 H CB 0.979 30.485 29.762 -0.428 0.000 1.495 377 H HN 0.072 nan 8.280 nan 0.000 0.588 378 L N 1.996 123.142 121.223 -0.128 0.000 2.360 378 L HA 0.017 4.357 4.340 -0.000 0.000 0.276 378 L C 1.750 178.552 176.870 -0.113 0.000 1.121 378 L CA -0.028 54.727 54.840 -0.142 0.000 0.845 378 L CB 1.859 43.834 42.059 -0.140 0.000 1.143 378 L HN -0.002 nan 8.230 nan 0.000 0.452 379 V N 2.695 122.555 119.914 -0.090 0.000 2.759 379 V HA -0.186 3.934 4.120 -0.000 0.000 0.256 379 V C 1.360 177.446 176.094 -0.013 0.000 1.080 379 V CA 2.221 64.487 62.300 -0.057 0.000 1.101 379 V CB -0.292 31.533 31.823 0.005 0.000 0.698 379 V HN 1.059 nan 8.190 nan 0.000 0.477 380 D N -0.461 119.928 120.400 -0.018 0.000 2.424 380 D HA 0.189 4.829 4.640 -0.000 0.000 0.220 380 D C 1.040 177.294 176.300 -0.076 0.000 1.150 380 D CA 0.247 54.218 54.000 -0.050 0.000 0.831 380 D CB -0.550 40.252 40.800 0.004 0.000 0.981 380 D HN 0.355 nan 8.370 nan 0.000 0.500 381 G N 0.730 109.495 108.800 -0.059 0.000 2.097 381 G HA2 0.161 4.121 3.960 -0.000 0.000 0.256 381 G HA3 0.161 4.121 3.960 -0.000 0.000 0.256 381 G C -0.681 174.181 174.900 -0.064 0.000 1.082 381 G CA 0.097 45.176 45.100 -0.034 0.000 0.956 381 G HN 0.323 nan 8.290 nan 0.000 0.420 382 D N 1.807 122.186 120.400 -0.035 0.000 2.686 382 D HA 0.238 4.878 4.640 -0.000 0.000 0.249 382 D C 1.157 177.456 176.300 -0.002 0.000 1.260 382 D CA -0.846 53.127 54.000 -0.045 0.000 0.910 382 D CB 1.290 42.054 40.800 -0.059 0.000 1.323 382 D HN 0.113 nan 8.370 nan 0.000 0.561 383 L N 4.750 125.980 121.223 0.012 0.000 1.997 383 L HA -0.114 4.226 4.340 -0.000 0.000 0.216 383 L C 1.968 178.856 176.870 0.029 0.000 1.074 383 L CA 2.816 57.679 54.840 0.039 0.000 0.763 383 L CB -0.851 41.239 42.059 0.051 0.000 0.890 383 L HN 0.619 nan 8.230 nan 0.000 0.434 384 A N -0.764 122.073 122.820 0.028 0.000 1.865 384 A HA -0.114 4.206 4.320 -0.000 0.000 0.217 384 A C 2.421 179.969 177.584 -0.059 0.000 1.191 384 A CA 2.302 54.355 52.037 0.027 0.000 0.623 384 A CB -1.302 17.744 19.000 0.077 0.000 0.826 384 A HN 0.627 nan 8.150 nan 0.000 0.444 385 A N -0.398 122.379 122.820 -0.070 0.000 1.929 385 A HA -0.135 4.185 4.320 -0.000 0.000 0.216 385 A C 1.972 179.406 177.584 -0.250 0.000 1.176 385 A CA 1.951 53.874 52.037 -0.191 0.000 0.628 385 A CB -0.648 18.293 19.000 -0.099 0.000 0.816 385 A HN 0.596 nan 8.150 nan 0.000 0.444 386 N N 0.410 119.061 118.700 -0.083 0.000 2.171 386 N HA -0.150 4.590 4.740 -0.000 0.000 0.184 386 N C 1.722 177.264 175.510 0.052 0.000 1.021 386 N CA 1.604 54.684 53.050 0.050 0.000 0.854 386 N CB -0.370 38.224 38.487 0.178 0.000 0.994 386 N HN 0.527 nan 8.380 nan 0.000 0.426 387 N N -0.176 118.522 118.700 -0.004 0.000 2.188 387 N HA -0.094 4.646 4.740 -0.000 0.000 0.184 387 N C 1.705 177.082 175.510 -0.222 0.000 1.018 387 N CA 1.310 54.348 53.050 -0.020 0.000 0.858 387 N CB -0.368 38.149 38.487 0.050 0.000 0.989 387 N HN 0.360 nan 8.380 nan 0.000 0.426 388 G N 0.014 108.584 108.800 -0.383 0.000 2.418 388 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.217 388 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.217 388 G C 1.517 176.031 174.900 -0.644 0.000 1.158 388 G CA 1.044 45.708 45.100 -0.726 0.000 0.771 388 G HN 0.453 nan 8.290 nan 0.000 0.545 389 G N -0.262 108.169 108.800 -0.615 0.000 2.408 389 G HA2 -0.158 3.802 3.960 -0.000 0.000 0.217 389 G HA3 -0.158 3.802 3.960 -0.000 0.000 0.217 389 G C 1.581 176.122 174.900 -0.598 0.000 1.150 389 G CA 0.656 45.397 45.100 -0.599 0.000 0.776 389 G HN 0.504 nan 8.290 nan 0.000 0.542 390 W N 0.659 121.627 121.300 -0.553 0.000 2.476 390 W HA 0.111 4.770 4.660 -0.000 0.000 0.281 390 W C 2.953 178.623 176.519 -1.416 0.000 1.230 390 W CA 0.589 57.395 57.345 -0.900 0.000 1.287 390 W CB 0.143 29.050 29.460 -0.921 0.000 1.108 390 W HN 0.130 nan 8.180 nan 0.000 0.567 391 Q N -0.897 118.328 119.800 -0.959 0.000 2.119 391 Q HA -0.232 4.108 4.340 -0.000 0.000 0.201 391 Q C 1.901 177.614 176.000 -0.478 0.000 0.972 391 Q CA 1.653 57.032 55.803 -0.707 0.000 0.847 391 Q CB -1.153 27.439 28.738 -0.244 0.000 0.903 391 Q HN 0.551 nan 8.270 nan 0.000 0.433 392 W N 2.313 123.300 121.300 -0.522 0.000 2.342 392 W HA -0.241 4.418 4.660 -0.000 0.000 0.297 392 W C 2.273 178.485 176.519 -0.512 0.000 1.213 392 W CA 2.284 59.375 57.345 -0.423 0.000 1.251 392 W CB -0.295 28.915 29.460 -0.417 0.000 1.136 392 W HN 0.168 nan 8.180 nan 0.000 0.526 393 S N 0.005 115.302 115.700 -0.672 0.000 2.537 393 S HA 0.017 4.487 4.470 -0.000 0.000 0.240 393 S C 1.376 175.462 174.600 -0.858 0.000 0.981 393 S CA 1.065 58.712 58.200 -0.920 0.000 0.948 393 S CB -0.425 62.450 63.200 -0.542 0.000 0.759 393 S HN 0.449 nan 8.310 nan 0.000 0.531 394 A N -0.496 121.835 122.820 -0.815 0.000 2.653 394 A HA 0.676 4.996 4.320 -0.000 0.000 0.248 394 A C 0.899 177.924 177.584 -0.931 0.000 1.211 394 A CA 0.266 51.757 52.037 -0.909 0.000 0.991 394 A CB -0.141 18.293 19.000 -0.943 0.000 1.252 394 A HN 0.622 nan 8.150 nan 0.000 0.593 395 S N 0.246 115.551 115.700 -0.659 0.000 3.581 395 S HA -0.190 4.280 4.470 -0.000 0.000 0.354 395 S C 1.162 175.586 174.600 -0.292 0.000 1.059 395 S CA 1.049 59.032 58.200 -0.362 0.000 1.060 395 S CB -1.738 61.330 63.200 -0.220 0.000 0.908 395 S HN 1.514 nan 8.310 nan 0.000 0.475 396 S N -1.083 114.372 115.700 -0.408 0.000 2.575 396 S HA 0.468 4.938 4.470 -0.000 0.000 0.215 396 S C 1.111 175.834 174.600 0.206 0.000 0.966 396 S CA 0.326 58.417 58.200 -0.181 0.000 0.911 396 S CB 0.745 63.877 63.200 -0.114 0.000 0.780 396 S HN 0.831 nan 8.310 nan 0.000 0.514 397 G N 1.432 110.320 108.800 0.147 0.000 3.364 397 G HA2 0.513 4.473 3.960 -0.000 0.000 0.191 397 G HA3 0.513 4.473 3.960 -0.000 0.000 0.191 397 G C -0.197 174.817 174.900 0.189 0.000 1.352 397 G CA -0.696 44.529 45.100 0.208 0.000 0.758 397 G HN 0.197 nan 8.290 nan 0.000 0.730 398 M N 0.876 120.565 119.600 0.148 0.000 2.226 398 M HA 0.232 4.712 4.480 -0.000 0.000 0.324 398 M C 0.217 176.731 176.300 0.358 0.000 1.112 398 M CA 0.148 55.593 55.300 0.242 0.000 1.176 398 M CB 0.353 33.090 32.600 0.227 0.000 1.430 398 M HN 0.630 nan 8.290 nan 0.000 0.462 399 D N 1.315 121.955 120.400 0.399 0.000 2.704 399 D HA -0.108 4.532 4.640 -0.000 0.000 0.232 399 D C -2.139 174.306 176.300 0.241 0.000 1.183 399 D CA 0.175 54.371 54.000 0.326 0.000 0.647 399 D CB -0.504 40.524 40.800 0.380 0.000 1.013 399 D HN 0.302 nan 8.370 nan 0.000 0.415 400 P HA 0.105 nan 4.420 nan 0.000 0.269 400 P C -0.244 177.123 177.300 0.112 0.000 1.209 400 P CA 0.095 63.277 63.100 0.137 0.000 0.776 400 P CB 0.874 32.672 31.700 0.165 0.000 0.876 401 K N 2.192 122.625 120.400 0.054 0.000 2.400 401 K HA 0.570 4.890 4.320 -0.000 0.000 0.246 401 K C -2.401 174.218 176.600 0.031 0.000 0.995 401 K CA -2.137 54.177 56.287 0.045 0.000 0.840 401 K CB 0.126 32.634 32.500 0.013 0.000 1.293 401 K HN 0.266 nan 8.250 nan 0.000 0.445 402 P HA 0.053 nan 4.420 nan 0.000 0.269 402 P C -0.376 176.913 177.300 -0.018 0.000 1.209 402 P CA -0.607 62.520 63.100 0.044 0.000 0.776 402 P CB 0.317 32.050 31.700 0.053 0.000 0.876 403 L N 3.192 124.390 121.223 -0.042 0.000 2.640 403 L HA 0.029 4.369 4.340 -0.000 0.000 0.280 403 L C 0.404 177.208 176.870 -0.110 0.000 1.229 403 L CA 1.217 55.965 54.840 -0.154 0.000 0.919 403 L CB -0.511 41.371 42.059 -0.294 0.000 1.168 403 L HN 0.375 nan 8.230 nan 0.000 0.496 404 R N 5.310 125.710 120.500 -0.167 0.000 2.668 404 R HA 0.638 4.978 4.340 -0.000 0.000 0.272 404 R C -1.766 174.429 176.300 -0.176 0.000 1.019 404 R CA -0.752 55.284 56.100 -0.106 0.000 0.894 404 R CB 1.218 31.486 30.300 -0.053 0.000 1.228 404 R HN 0.726 nan 8.270 nan 0.000 0.460 405 I N 4.396 124.938 120.570 -0.047 0.000 2.468 405 I HA 0.305 4.475 4.170 -0.000 0.000 0.285 405 I C -0.599 175.653 176.117 0.225 0.000 1.039 405 I CA -0.824 60.451 61.300 -0.043 0.000 1.074 405 I CB 1.335 39.294 38.000 -0.069 0.000 1.228 405 I HN 0.434 nan 8.210 nan 0.000 0.436 406 F N 4.488 124.426 119.950 -0.020 0.000 2.563 406 F HA 0.057 4.584 4.527 -0.000 0.000 0.363 406 F C 1.024 176.870 175.800 0.077 0.000 1.123 406 F CA -0.157 57.869 58.000 0.044 0.000 1.307 406 F CB 0.123 39.155 39.000 0.053 0.000 1.115 406 F HN 0.451 nan 8.300 nan 0.000 0.592 407 N N 5.172 123.966 118.700 0.157 0.000 2.457 407 N HA 0.235 4.974 4.740 -0.000 0.000 0.250 407 N C -2.078 173.399 175.510 -0.054 0.000 0.982 407 N CA -2.068 50.927 53.050 -0.091 0.000 0.941 407 N CB 1.627 40.111 38.487 -0.006 0.000 1.120 407 N HN 0.084 nan 8.380 nan 0.000 0.505 408 P HA -0.185 nan 4.420 nan 0.000 0.218 408 P C 0.849 178.199 177.300 0.082 0.000 1.154 408 P CA 1.779 64.938 63.100 0.098 0.000 0.872 408 P CB 0.291 32.113 31.700 0.204 0.000 0.790 409 A N -1.087 121.764 122.820 0.053 0.000 1.898 409 A HA -0.160 4.160 4.320 -0.000 0.000 0.216 409 A C 2.335 179.926 177.584 0.011 0.000 1.181 409 A CA 2.108 54.169 52.037 0.041 0.000 0.620 409 A CB -1.426 17.594 19.000 0.033 0.000 0.819 409 A HN 0.139 nan 8.150 nan 0.000 0.442 410 S N -0.268 115.426 115.700 -0.010 0.000 2.368 410 S HA -0.157 4.312 4.470 -0.000 0.000 0.224 410 S C 2.140 176.702 174.600 -0.063 0.000 1.029 410 S CA 1.283 59.458 58.200 -0.042 0.000 0.988 410 S CB -0.285 62.887 63.200 -0.047 0.000 0.838 410 S HN 0.583 nan 8.310 nan 0.000 0.462 411 Q N 1.030 120.814 119.800 -0.026 0.000 2.084 411 Q HA 0.016 4.356 4.340 -0.000 0.000 0.202 411 Q C 2.542 178.621 176.000 0.131 0.000 0.978 411 Q CA 1.471 57.312 55.803 0.063 0.000 0.844 411 Q CB -0.668 28.110 28.738 0.066 0.000 0.898 411 Q HN 0.576 nan 8.270 nan 0.000 0.426 412 A N 1.411 124.283 122.820 0.087 0.000 1.902 412 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 412 A C 2.129 179.738 177.584 0.041 0.000 1.181 412 A CA 1.763 53.854 52.037 0.091 0.000 0.623 412 A CB -0.443 18.608 19.000 0.083 0.000 0.818 412 A HN 0.296 nan 8.150 nan 0.000 0.443 413 K N -0.186 120.208 120.400 -0.009 0.000 2.097 413 K HA -0.165 4.155 4.320 -0.000 0.000 0.206 413 K C 2.136 178.672 176.600 -0.107 0.000 1.049 413 K CA 1.761 58.020 56.287 -0.046 0.000 0.933 413 K CB -0.156 32.313 32.500 -0.052 0.000 0.717 413 K HN 0.446 nan 8.250 nan 0.000 0.442 414 K N -0.679 119.592 120.400 -0.214 0.000 2.116 414 K HA -0.059 4.261 4.320 -0.000 0.000 0.203 414 K C 1.056 177.348 176.600 -0.513 0.000 1.052 414 K CA 1.058 57.061 56.287 -0.473 0.000 0.952 414 K CB 0.130 32.135 32.500 -0.824 0.000 0.729 414 K HN 0.093 nan 8.250 nan 0.000 0.446 415 F N -0.421 119.572 119.950 0.071 0.000 2.678 415 F HA 0.203 4.730 4.527 -0.000 0.000 0.305 415 F C 0.046 175.950 175.800 0.172 0.000 1.090 415 F CA -0.330 57.766 58.000 0.159 0.000 1.272 415 F CB 0.761 39.737 39.000 -0.040 0.000 1.060 415 F HN -0.066 nan 8.300 nan 0.000 0.576 416 D N -0.385 120.129 120.400 0.191 0.000 3.256 416 D HA 0.371 5.011 4.640 -0.000 0.000 0.332 416 D C 1.289 177.620 176.300 0.052 0.000 1.327 416 D CA 0.223 54.300 54.000 0.127 0.000 0.735 416 D CB 0.204 41.096 40.800 0.153 0.000 1.280 416 D HN 0.025 nan 8.370 nan 0.000 0.572 417 A N -0.260 122.558 122.820 -0.002 0.000 1.997 417 A HA -0.176 4.144 4.320 -0.000 0.000 0.221 417 A C 1.882 179.448 177.584 -0.031 0.000 1.172 417 A CA 2.261 54.275 52.037 -0.038 0.000 0.645 417 A CB -0.516 18.434 19.000 -0.082 0.000 0.813 417 A HN 0.447 nan 8.150 nan 0.000 0.454 418 T N -5.252 109.285 114.554 -0.029 0.000 3.134 418 T HA 0.535 4.885 4.350 -0.000 0.000 0.260 418 T C 0.781 175.475 174.700 -0.009 0.000 1.027 418 T CA 0.914 62.998 62.100 -0.027 0.000 0.913 418 T CB 0.068 68.910 68.868 -0.044 0.000 1.046 418 T HN 1.804 nan 8.240 nan 0.000 0.553 419 A N 0.674 123.506 122.820 0.019 0.000 2.826 419 A HA -0.246 4.074 4.320 -0.000 0.000 0.274 419 A C 1.555 179.162 177.584 0.039 0.000 1.443 419 A CA 1.400 53.460 52.037 0.038 0.000 0.833 419 A CB -2.771 16.231 19.000 0.002 0.000 1.023 419 A HN 0.572 nan 8.150 nan 0.000 0.600 420 T N -1.747 112.838 114.554 0.052 0.000 2.708 420 T HA -0.137 4.213 4.350 -0.000 0.000 0.266 420 T C 1.508 176.261 174.700 0.087 0.000 1.037 420 T CA 1.938 64.063 62.100 0.041 0.000 1.146 420 T CB -0.266 68.625 68.868 0.039 0.000 0.865 420 T HN 0.773 nan 8.240 nan 0.000 0.435 421 Y N 1.590 121.923 120.300 0.055 0.000 2.163 421 Y HA -0.050 4.500 4.550 -0.000 0.000 0.288 421 Y C 2.026 178.027 175.900 0.168 0.000 1.136 421 Y CA 0.866 59.049 58.100 0.139 0.000 1.147 421 Y CB -0.468 38.086 38.460 0.156 0.000 0.987 421 Y HN 0.149 nan 8.280 nan 0.000 0.509 422 I N 0.374 121.044 120.570 0.167 0.000 2.127 422 I HA -0.362 3.808 4.170 -0.000 0.000 0.241 422 I C 2.283 178.364 176.117 -0.059 0.000 1.075 422 I CA 1.865 63.197 61.300 0.053 0.000 1.334 422 I CB -0.453 37.587 38.000 0.066 0.000 1.040 422 I HN 0.176 nan 8.210 nan 0.000 0.405 423 K N 0.179 120.537 120.400 -0.071 0.000 2.211 423 K HA -0.176 4.144 4.320 -0.000 0.000 0.203 423 K C 2.222 178.718 176.600 -0.175 0.000 1.050 423 K CA 0.809 57.028 56.287 -0.113 0.000 0.945 423 K CB -0.170 32.271 32.500 -0.098 0.000 0.732 423 K HN 0.255 nan 8.250 nan 0.000 0.451 424 R N -0.003 120.352 120.500 -0.242 0.000 2.081 424 R HA -0.149 4.191 4.340 -0.000 0.000 0.235 424 R C 1.160 177.060 176.300 -0.667 0.000 1.131 424 R CA 1.600 57.423 56.100 -0.461 0.000 0.960 424 R CB -0.047 29.932 30.300 -0.536 0.000 0.856 424 R HN 0.259 nan 8.270 nan 0.000 0.436 425 W N -0.175 120.954 121.300 -0.284 0.000 3.211 425 W HA 0.266 4.926 4.660 -0.000 0.000 0.292 425 W C 0.045 176.470 176.519 -0.157 0.000 1.268 425 W CA -0.278 56.925 57.345 -0.237 0.000 1.702 425 W CB 0.618 29.871 29.460 -0.344 0.000 1.092 425 W HN -0.063 nan 8.180 nan 0.000 0.643 426 L N 2.613 123.824 121.223 -0.019 0.000 2.732 426 L HA 0.239 4.579 4.340 -0.000 0.000 0.246 426 L C -1.329 175.492 176.870 -0.083 0.000 1.407 426 L CA -1.264 53.551 54.840 -0.043 0.000 0.861 426 L CB 0.773 42.769 42.059 -0.104 0.000 1.161 426 L HN -0.272 nan 8.230 nan 0.000 0.510 427 P HA -0.224 nan 4.420 nan 0.000 0.219 427 P C 0.954 178.239 177.300 -0.024 0.000 1.146 427 P CA 1.283 64.339 63.100 -0.072 0.000 0.808 427 P CB 0.229 31.878 31.700 -0.085 0.000 0.779 428 E N -0.285 119.911 120.200 -0.007 0.000 2.516 428 E HA -0.078 4.272 4.350 -0.000 0.000 0.199 428 E C 0.809 177.477 176.600 0.114 0.000 1.069 428 E CA 0.574 56.998 56.400 0.040 0.000 0.876 428 E CB -0.455 29.274 29.700 0.049 0.000 0.843 428 E HN 0.265 nan 8.360 nan 0.000 0.530 429 L N 0.606 121.834 121.223 0.009 0.000 3.122 429 L HA 0.231 4.571 4.340 -0.000 0.000 0.274 429 L C 1.704 178.484 176.870 -0.150 0.000 1.222 429 L CA -0.111 54.660 54.840 -0.114 0.000 1.028 429 L CB 0.386 42.261 42.059 -0.307 0.000 1.386 429 L HN -0.074 nan 8.230 nan 0.000 0.578 430 R N 0.361 120.860 120.500 -0.001 0.000 2.189 430 R HA -0.102 4.238 4.340 -0.000 0.000 0.223 430 R C 1.807 178.085 176.300 -0.037 0.000 1.092 430 R CA 1.117 57.193 56.100 -0.039 0.000 0.989 430 R CB -0.068 30.218 30.300 -0.023 0.000 0.876 430 R HN 0.616 nan 8.270 nan 0.000 0.457 431 H N -1.599 117.425 119.070 -0.077 0.000 2.548 431 H HA 0.105 4.661 4.556 -0.000 0.000 0.268 431 H C 0.375 175.667 175.328 -0.059 0.000 0.975 431 H CA -0.091 55.916 56.048 -0.069 0.000 1.195 431 H CB -0.476 29.263 29.762 -0.040 0.000 1.397 431 H HN -0.190 nan 8.280 nan 0.000 0.572 432 V N 2.730 122.315 119.914 -0.549 0.000 2.649 432 V HA 0.041 4.161 4.120 -0.000 0.000 0.292 432 V C 0.017 176.025 176.094 -0.143 0.000 1.055 432 V CA -0.518 61.585 62.300 -0.328 0.000 1.023 432 V CB 0.823 32.423 31.823 -0.371 0.000 0.992 432 V HN 0.366 nan 8.190 nan 0.000 0.480 433 H N 5.451 124.444 119.070 -0.128 0.000 2.848 433 H HA 0.146 4.702 4.556 -0.000 0.000 0.341 433 H C -1.621 173.659 175.328 -0.079 0.000 1.060 433 H CA -1.341 54.658 56.048 -0.082 0.000 1.444 433 H CB 0.263 29.991 29.762 -0.057 0.000 1.446 433 H HN 0.396 nan 8.280 nan 0.000 0.583 434 P HA -0.247 nan 4.420 nan 0.000 0.217 434 P C 1.506 178.815 177.300 0.015 0.000 1.151 434 P CA 1.589 64.688 63.100 -0.001 0.000 0.849 434 P CB 0.341 32.034 31.700 -0.011 0.000 0.787 435 K N 0.270 120.694 120.400 0.039 0.000 2.044 435 K HA -0.197 4.122 4.320 -0.000 0.000 0.210 435 K C 1.501 178.104 176.600 0.005 0.000 1.049 435 K CA 2.040 58.338 56.287 0.018 0.000 0.927 435 K CB -1.086 31.424 32.500 0.016 0.000 0.713 435 K HN 0.064 nan 8.250 nan 0.000 0.443 436 D N -0.162 120.241 120.400 0.006 0.000 2.234 436 D HA -0.051 4.589 4.640 -0.000 0.000 0.205 436 D C 1.941 178.228 176.300 -0.022 0.000 0.962 436 D CA 0.749 54.740 54.000 -0.013 0.000 0.855 436 D CB 0.020 40.808 40.800 -0.020 0.000 0.951 436 D HN 0.230 nan 8.370 nan 0.000 0.500 437 L N 0.443 121.648 121.223 -0.029 0.000 2.093 437 L HA -0.056 4.284 4.340 -0.000 0.000 0.208 437 L C 2.434 179.301 176.870 -0.006 0.000 1.085 437 L CA 0.638 55.454 54.840 -0.041 0.000 0.755 437 L CB -0.143 41.880 42.059 -0.058 0.000 0.904 437 L HN -0.018 nan 8.230 nan 0.000 0.435 438 I N -0.541 120.031 120.570 0.004 0.000 2.233 438 I HA -0.236 3.934 4.170 -0.000 0.000 0.243 438 I C 2.732 178.859 176.117 0.016 0.000 1.093 438 I CA 1.463 62.774 61.300 0.018 0.000 1.380 438 I CB -0.217 37.790 38.000 0.011 0.000 1.067 438 I HN 0.301 nan 8.210 nan 0.000 0.413 439 S N 0.476 116.178 115.700 0.003 0.000 2.453 439 S HA 0.007 4.477 4.470 -0.000 0.000 0.231 439 S C 1.835 176.424 174.600 -0.018 0.000 1.005 439 S CA 0.736 58.937 58.200 0.001 0.000 0.949 439 S CB -0.104 63.094 63.200 -0.003 0.000 0.774 439 S HN 0.629 nan 8.310 nan 0.000 0.510 440 G N 0.827 109.609 108.800 -0.031 0.000 2.159 440 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.256 440 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.256 440 G C -0.249 174.604 174.900 -0.079 0.000 0.977 440 G CA 0.258 45.309 45.100 -0.082 0.000 0.652 440 G HN 0.638 nan 8.290 nan 0.000 0.531 441 E N 0.412 120.588 120.200 -0.040 0.000 2.042 441 E HA 0.521 4.871 4.350 -0.000 0.000 0.260 441 E C 0.203 176.797 176.600 -0.011 0.000 0.975 441 E CA -0.326 56.059 56.400 -0.024 0.000 0.799 441 E CB 0.737 30.428 29.700 -0.015 0.000 1.131 441 E HN 0.483 nan 8.360 nan 0.000 0.423 442 I N 2.062 122.636 120.570 0.008 0.000 2.441 442 I HA 0.166 4.336 4.170 -0.000 0.000 0.295 442 I C 0.818 176.956 176.117 0.034 0.000 0.994 442 I CA -0.980 60.332 61.300 0.020 0.000 1.144 442 I CB 1.792 39.821 38.000 0.048 0.000 1.314 442 I HN 0.318 nan 8.210 nan 0.000 0.445 443 T N 2.220 116.791 114.554 0.028 0.000 2.930 443 T HA 0.160 4.510 4.350 -0.000 0.000 0.306 443 T C -1.912 172.823 174.700 0.057 0.000 1.045 443 T CA -1.298 60.822 62.100 0.035 0.000 1.134 443 T CB 0.995 69.879 68.868 0.027 0.000 0.961 443 T HN 0.338 nan 8.240 nan 0.000 0.545 444 P HA -0.125 nan 4.420 nan 0.000 0.216 444 P C 1.655 178.997 177.300 0.070 0.000 1.154 444 P CA 0.401 63.536 63.100 0.059 0.000 0.865 444 P CB -0.021 31.704 31.700 0.042 0.000 0.789 445 I N 0.177 120.784 120.570 0.063 0.000 2.252 445 I HA -0.194 3.976 4.170 -0.000 0.000 0.245 445 I C 1.427 177.606 176.117 0.104 0.000 1.102 445 I CA 1.996 63.336 61.300 0.066 0.000 1.385 445 I CB -0.706 37.324 38.000 0.051 0.000 1.064 445 I HN 0.050 nan 8.210 nan 0.000 0.414 446 E N -0.230 120.051 120.200 0.135 0.000 2.481 446 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 446 E C 1.994 178.765 176.600 0.286 0.000 1.047 446 E CA -0.013 56.538 56.400 0.252 0.000 0.867 446 E CB 0.126 29.920 29.700 0.156 0.000 0.858 446 E HN 0.402 nan 8.360 nan 0.000 0.513 447 R N 0.651 121.260 120.500 0.182 0.000 2.200 447 R HA -0.045 4.295 4.340 -0.000 0.000 0.208 447 R C 0.446 176.874 176.300 0.213 0.000 1.033 447 R CA 0.379 56.601 56.100 0.203 0.000 1.000 447 R CB 0.170 30.574 30.300 0.173 0.000 0.906 447 R HN -0.090 nan 8.270 nan 0.000 0.462 448 R N -2.207 118.384 120.500 0.152 0.000 3.793 448 R HA -0.241 4.099 4.340 -0.000 0.000 0.464 448 R C 1.309 177.673 176.300 0.106 0.000 0.241 448 R CA 1.896 58.059 56.100 0.105 0.000 1.464 448 R CB -1.861 28.491 30.300 0.087 0.000 0.954 448 R HN 0.414 nan 8.270 nan 0.000 0.583 449 G N -1.448 107.418 108.800 0.110 0.000 2.712 449 G HA2 -0.064 3.896 3.960 -0.000 0.000 0.212 449 G HA3 -0.064 3.896 3.960 -0.000 0.000 0.212 449 G C -0.129 174.846 174.900 0.126 0.000 1.142 449 G CA 0.362 45.519 45.100 0.095 0.000 0.789 449 G HN 0.408 nan 8.290 nan 0.000 0.535 450 Y N 3.616 123.942 120.300 0.044 0.000 2.632 450 Y HA 0.214 4.764 4.550 -0.000 0.000 0.329 450 Y C -1.598 174.325 175.900 0.038 0.000 1.174 450 Y CA -2.668 55.457 58.100 0.041 0.000 1.469 450 Y CB 0.646 39.133 38.460 0.045 0.000 1.242 450 Y HN 0.035 nan 8.280 nan 0.000 0.540 451 P HA 0.167 nan 4.420 nan 0.000 0.272 451 P C -1.055 176.049 177.300 -0.326 0.000 1.240 451 P CA -0.257 62.647 63.100 -0.328 0.000 0.791 451 P CB 0.851 32.382 31.700 -0.281 0.000 0.978 452 A N 2.585 125.328 122.820 -0.128 0.000 2.287 452 A HA 0.499 4.819 4.320 -0.000 0.000 0.273 452 A C -2.166 175.389 177.584 -0.049 0.000 1.091 452 A CA -1.649 50.352 52.037 -0.061 0.000 0.817 452 A CB -1.400 17.595 19.000 -0.008 0.000 1.069 452 A HN 0.399 nan 8.150 nan 0.000 0.492 453 P HA 0.042 nan 4.420 nan 0.000 0.263 453 P C 0.834 178.248 177.300 0.191 0.000 1.195 453 P CA 0.190 63.321 63.100 0.053 0.000 0.762 453 P CB 0.179 31.823 31.700 -0.094 0.000 0.799 454 I N 2.411 123.164 120.570 0.304 0.000 2.830 454 I HA -0.012 4.158 4.170 -0.000 0.000 0.263 454 I C 0.478 176.749 176.117 0.257 0.000 1.230 454 I CA 0.564 62.011 61.300 0.246 0.000 1.480 454 I CB -0.312 37.836 38.000 0.246 0.000 1.095 454 I HN 0.026 nan 8.210 nan 0.000 0.455 455 V N -1.887 118.251 119.914 0.374 0.000 3.188 455 V HA 0.477 4.597 4.120 -0.000 0.000 0.305 455 V C -0.860 175.452 176.094 0.365 0.000 1.232 455 V CA -0.932 61.544 62.300 0.294 0.000 1.043 455 V CB 1.622 33.570 31.823 0.208 0.000 1.068 455 V HN 0.264 nan 8.190 nan 0.000 0.439 456 N N 0.537 119.389 118.700 0.253 0.000 2.462 456 N HA 0.208 4.948 4.740 -0.000 0.000 0.242 456 N C 0.699 176.370 175.510 0.268 0.000 1.010 456 N CA -0.017 53.181 53.050 0.247 0.000 0.939 456 N CB 1.012 39.589 38.487 0.150 0.000 1.127 456 N HN 1.059 nan 8.380 nan 0.000 0.509 457 H N 4.397 123.651 119.070 0.306 0.000 2.321 457 H HA -0.193 4.363 4.556 -0.000 0.000 0.295 457 H C 1.463 176.884 175.328 0.155 0.000 1.102 457 H CA 2.619 58.817 56.048 0.250 0.000 1.266 457 H CB 0.105 30.067 29.762 0.334 0.000 1.363 457 H HN 0.676 nan 8.280 nan 0.000 0.492 458 N N -0.213 118.526 118.700 0.065 0.000 2.069 458 N HA -0.128 4.612 4.740 -0.000 0.000 0.191 458 N C 2.012 177.501 175.510 -0.036 0.000 1.031 458 N CA 1.606 54.647 53.050 -0.016 0.000 0.852 458 N CB -0.335 38.197 38.487 0.074 0.000 1.018 458 N HN 0.448 nan 8.380 nan 0.000 0.423 459 L N -0.163 121.070 121.223 0.018 0.000 2.093 459 L HA -0.081 4.258 4.340 -0.000 0.000 0.208 459 L C 2.396 179.273 176.870 0.012 0.000 1.085 459 L CA 0.744 55.598 54.840 0.024 0.000 0.755 459 L CB -0.272 41.816 42.059 0.049 0.000 0.904 459 L HN 0.176 nan 8.230 nan 0.000 0.435 460 R N -0.182 120.314 120.500 -0.006 0.000 2.075 460 R HA -0.166 4.173 4.340 -0.000 0.000 0.232 460 R C 2.044 178.342 176.300 -0.005 0.000 1.126 460 R CA 1.135 57.236 56.100 0.001 0.000 0.963 460 R CB -0.743 29.542 30.300 -0.025 0.000 0.858 460 R HN 0.473 nan 8.270 nan 0.000 0.435 461 Q N 1.185 120.900 119.800 -0.141 0.000 2.084 461 Q HA -0.138 4.202 4.340 -0.000 0.000 0.202 461 Q C 1.710 177.727 176.000 0.029 0.000 0.978 461 Q CA 1.630 57.364 55.803 -0.114 0.000 0.844 461 Q CB 0.119 28.686 28.738 -0.286 0.000 0.898 461 Q HN 0.268 nan 8.270 nan 0.000 0.426 462 K N 0.026 120.434 120.400 0.013 0.000 2.097 462 K HA -0.201 4.119 4.320 -0.000 0.000 0.205 462 K C 2.177 178.819 176.600 0.070 0.000 1.050 462 K CA 1.403 57.717 56.287 0.044 0.000 0.938 462 K CB -0.115 32.401 32.500 0.026 0.000 0.718 462 K HN 0.308 nan 8.250 nan 0.000 0.442 463 Q N 0.290 120.134 119.800 0.073 0.000 2.050 463 Q HA -0.189 4.151 4.340 -0.000 0.000 0.202 463 Q C 1.981 178.049 176.000 0.113 0.000 0.980 463 Q CA 1.419 57.264 55.803 0.070 0.000 0.840 463 Q CB -0.111 28.666 28.738 0.066 0.000 0.898 463 Q HN 0.245 nan 8.270 nan 0.000 0.424 464 F N 1.246 121.233 119.950 0.062 0.000 2.102 464 F HA -0.146 4.381 4.527 -0.000 0.000 0.298 464 F C 1.958 177.862 175.800 0.173 0.000 1.105 464 F CA 1.643 59.734 58.000 0.151 0.000 1.239 464 F CB 0.032 39.101 39.000 0.115 0.000 0.991 464 F HN -0.030 nan 8.300 nan 0.000 0.474 465 K N 0.019 120.634 120.400 0.359 0.000 2.097 465 K HA -0.149 4.171 4.320 -0.000 0.000 0.206 465 K C 2.286 178.982 176.600 0.161 0.000 1.049 465 K CA 1.196 57.647 56.287 0.274 0.000 0.933 465 K CB -0.552 32.059 32.500 0.185 0.000 0.717 465 K HN 0.342 nan 8.250 nan 0.000 0.442 466 A N 1.539 124.405 122.820 0.077 0.000 1.877 466 A HA -0.134 4.186 4.320 -0.000 0.000 0.216 466 A C 2.146 179.686 177.584 -0.073 0.000 1.186 466 A CA 1.246 53.284 52.037 0.002 0.000 0.620 466 A CB -0.652 18.339 19.000 -0.015 0.000 0.822 466 A HN 0.148 nan 8.150 nan 0.000 0.443 467 L N -2.220 118.921 121.223 -0.136 0.000 2.046 467 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 467 L C 2.612 179.296 176.870 -0.310 0.000 1.077 467 L CA 1.878 56.520 54.840 -0.330 0.000 0.747 467 L CB -0.681 41.041 42.059 -0.562 0.000 0.896 467 L HN 0.589 nan 8.230 nan 0.000 0.432 468 Y N 1.392 121.554 120.300 -0.230 0.000 2.114 468 Y HA -0.257 4.293 4.550 -0.000 0.000 0.284 468 Y C 2.596 178.406 175.900 -0.150 0.000 1.143 468 Y CA 1.766 59.784 58.100 -0.137 0.000 1.135 468 Y CB -0.280 38.177 38.460 -0.006 0.000 0.980 468 Y HN 0.204 nan 8.280 nan 0.000 0.499 469 N N 0.319 118.996 118.700 -0.039 0.000 2.166 469 N HA -0.196 4.544 4.740 -0.000 0.000 0.186 469 N C 1.747 177.141 175.510 -0.194 0.000 1.019 469 N CA 1.760 54.742 53.050 -0.115 0.000 0.856 469 N CB -0.451 38.043 38.487 0.011 0.000 0.993 469 N HN 0.606 nan 8.380 nan 0.000 0.426 470 Q N 0.082 119.769 119.800 -0.188 0.000 2.119 470 Q HA -0.070 4.269 4.340 -0.000 0.000 0.201 470 Q C 2.024 177.872 176.000 -0.253 0.000 0.972 470 Q CA 0.751 56.437 55.803 -0.196 0.000 0.847 470 Q CB -0.090 28.534 28.738 -0.189 0.000 0.903 470 Q HN 0.203 nan 8.270 nan 0.000 0.433 471 L N 1.191 122.210 121.223 -0.341 0.000 2.044 471 L HA -0.132 4.208 4.340 -0.000 0.000 0.205 471 L C 2.177 178.826 176.870 -0.367 0.000 1.075 471 L CA 1.833 56.449 54.840 -0.373 0.000 0.747 471 L CB -0.381 41.396 42.059 -0.471 0.000 0.903 471 L HN -0.015 nan 8.230 nan 0.000 0.435 472 K N -0.677 119.441 120.400 -0.470 0.000 2.103 472 K HA -0.173 4.147 4.320 -0.000 0.000 0.207 472 K C 1.902 178.348 176.600 -0.256 0.000 1.048 472 K CA 1.350 57.382 56.287 -0.425 0.000 0.930 472 K CB -0.158 32.013 32.500 -0.548 0.000 0.716 472 K HN 0.480 nan 8.250 nan 0.000 0.444 473 A N 0.767 123.455 122.820 -0.219 0.000 1.897 473 A HA 0.014 4.334 4.320 -0.000 0.000 0.215 473 A C 2.287 179.788 177.584 -0.138 0.000 1.181 473 A CA 1.435 53.382 52.037 -0.150 0.000 0.620 473 A CB -0.653 18.271 19.000 -0.126 0.000 0.821 473 A HN 0.430 nan 8.150 nan 0.000 0.443 474 A N -0.119 122.605 122.820 -0.160 0.000 1.933 474 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 474 A C 1.326 178.832 177.584 -0.130 0.000 1.175 474 A CA 0.914 52.867 52.037 -0.141 0.000 0.628 474 A CB -0.505 18.399 19.000 -0.160 0.000 0.814 474 A HN 0.502 nan 8.150 nan 0.000 0.444 475 I N 0.000 120.479 120.570 -0.151 0.000 2.984 475 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 475 I CA 0.000 61.222 61.300 -0.130 0.000 1.566 475 I CB 0.000 37.908 38.000 -0.154 0.000 1.214 475 I HN 0.000 nan 8.210 nan 0.000 0.494