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 1rcx_1_R DATA FIRST_RESID 9 DATA SEQUENCE ASVGFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE DMMKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT TLSHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE MHFRVLAKAL RLSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDYTEKDR DATA SEQUENCE SRGIYFTQSW VSTPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV QARNEGRDLA REGNTIIREA TKWSPELAAA DATA SEQUENCE CEVWKEIKFE FPAMDTV 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 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.596 177.584 0.020 0.000 1.274 9 A CA 0.000 52.045 52.037 0.013 0.000 0.836 9 A CB 0.000 19.007 19.000 0.012 0.000 0.831 10 S N -0.285 115.431 115.700 0.026 0.000 2.586 10 S HA 0.709 5.179 4.470 0.000 0.000 0.274 10 S C -0.042 174.581 174.600 0.039 0.000 1.281 10 S CA -0.027 58.196 58.200 0.038 0.000 1.035 10 S CB 1.364 64.591 63.200 0.045 0.000 0.962 10 S HN 2.257 nan 8.310 nan 0.000 0.512 11 V N 1.751 121.695 119.914 0.050 0.000 2.864 11 V HA 0.833 4.953 4.120 0.000 0.000 0.314 11 V C 0.720 176.858 176.094 0.073 0.000 1.073 11 V CA -0.154 62.175 62.300 0.048 0.000 0.956 11 V CB 1.341 33.187 31.823 0.038 0.000 1.023 11 V HN 1.270 nan 8.190 nan 0.000 0.435 12 G N 2.963 111.802 108.800 0.065 0.000 2.794 12 G HA2 0.194 4.154 3.960 0.000 0.000 0.249 12 G HA3 0.194 4.154 3.960 0.000 0.000 0.249 12 G C -0.662 174.333 174.900 0.159 0.000 1.236 12 G CA -0.036 45.120 45.100 0.093 0.000 0.880 12 G HN 0.962 nan 8.290 nan 0.000 0.586 13 F N 0.177 120.147 119.950 0.033 0.000 2.411 13 F HA 0.614 5.141 4.527 0.000 0.000 0.350 13 F C 0.068 175.885 175.800 0.028 0.000 1.114 13 F CA -1.648 56.384 58.000 0.053 0.000 1.135 13 F CB 1.735 40.791 39.000 0.094 0.000 1.120 13 F HN 0.235 nan 8.300 nan 0.000 0.495 14 K N 5.753 125.894 120.400 -0.431 0.000 2.521 14 K HA 0.667 4.987 4.320 0.000 0.000 0.248 14 K C -0.808 175.362 176.600 -0.717 0.000 0.978 14 K CA -0.429 55.554 56.287 -0.507 0.000 0.947 14 K CB 0.824 33.203 32.500 -0.203 0.000 1.165 14 K HN 0.751 nan 8.250 nan 0.000 0.445 15 A N 2.630 124.833 122.820 -1.029 0.000 2.466 15 A HA 0.605 4.925 4.320 0.000 0.000 0.238 15 A C 0.569 177.993 177.584 -0.267 0.000 1.074 15 A CA 0.891 52.553 52.037 -0.626 0.000 0.774 15 A CB -0.345 18.410 19.000 -0.408 0.000 1.015 15 A HN 1.152 nan 8.150 nan 0.000 0.498 16 G N -1.470 107.237 108.800 -0.156 0.000 2.392 16 G HA2 0.431 4.391 3.960 0.000 0.000 0.677 16 G HA3 0.431 4.391 3.960 0.000 0.000 0.677 16 G C -0.464 174.358 174.900 -0.129 0.000 1.334 16 G CA -0.089 44.941 45.100 -0.116 0.000 0.961 16 G HN 2.288 nan 8.290 nan 0.000 0.616 17 V N -0.430 119.428 119.914 -0.094 0.000 2.716 17 V HA 0.988 5.108 4.120 0.000 0.000 0.304 17 V C 0.135 176.178 176.094 -0.084 0.000 1.053 17 V CA 0.461 62.699 62.300 -0.104 0.000 0.984 17 V CB 1.422 33.236 31.823 -0.014 0.000 1.021 17 V HN 1.494 nan 8.190 nan 0.000 0.467 18 K N 2.080 122.411 120.400 -0.115 0.000 2.522 18 K HA 0.520 4.840 4.320 0.000 0.000 0.275 18 K C -1.441 175.081 176.600 -0.130 0.000 1.006 18 K CA -0.924 55.310 56.287 -0.088 0.000 0.890 18 K CB 1.483 33.950 32.500 -0.054 0.000 1.475 18 K HN 0.524 nan 8.250 nan 0.000 0.441 19 D N 0.962 121.319 120.400 -0.072 0.000 2.443 19 D HA 0.014 4.654 4.640 0.000 0.000 0.239 19 D C 0.587 176.892 176.300 0.008 0.000 1.136 19 D CA 0.274 54.243 54.000 -0.052 0.000 0.879 19 D CB 0.216 41.019 40.800 0.005 0.000 1.195 19 D HN 0.425 nan 8.370 nan 0.000 0.443 20 Y N 1.155 121.490 120.300 0.059 0.000 2.352 20 Y HA -0.167 4.384 4.550 0.000 0.000 0.292 20 Y C 2.259 178.282 175.900 0.205 0.000 1.136 20 Y CA 1.006 59.189 58.100 0.137 0.000 1.227 20 Y CB -0.234 38.240 38.460 0.025 0.000 0.991 20 Y HN 0.458 nan 8.280 nan 0.000 0.545 21 K N 0.241 120.799 120.400 0.264 0.000 2.280 21 K HA -0.138 4.182 4.320 0.000 0.000 0.202 21 K C 1.624 178.340 176.600 0.195 0.000 1.047 21 K CA 1.447 57.869 56.287 0.224 0.000 0.942 21 K CB -0.674 31.903 32.500 0.128 0.000 0.739 21 K HN 0.334 nan 8.250 nan 0.000 0.457 22 L N 1.141 122.451 121.223 0.145 0.000 2.131 22 L HA -0.122 4.218 4.340 0.000 0.000 0.210 22 L C 1.594 178.494 176.870 0.050 0.000 1.092 22 L CA 1.460 56.351 54.840 0.085 0.000 0.759 22 L CB -0.363 41.730 42.059 0.056 0.000 0.903 22 L HN 0.378 nan 8.230 nan 0.000 0.435 23 T N -3.288 111.303 114.554 0.061 0.000 2.987 23 T HA 0.054 4.404 4.350 0.000 0.000 0.248 23 T C 1.002 175.487 174.700 -0.358 0.000 0.997 23 T CA 0.105 62.092 62.100 -0.188 0.000 1.013 23 T CB 0.173 68.842 68.868 -0.333 0.000 1.077 23 T HN 0.124 nan 8.240 nan 0.000 0.483 24 Y N -0.145 120.215 120.300 0.099 0.000 2.458 24 Y HA 0.410 4.960 4.550 0.000 0.000 0.256 24 Y C 0.092 176.064 175.900 0.121 0.000 1.159 24 Y CA -1.106 57.041 58.100 0.078 0.000 1.261 24 Y CB 0.332 38.833 38.460 0.069 0.000 1.119 24 Y HN 0.164 nan 8.280 nan 0.000 0.524 25 Y N 0.890 121.252 120.300 0.102 0.000 2.353 25 Y HA 0.479 5.029 4.550 0.000 0.000 0.340 25 Y C -0.250 175.680 175.900 0.051 0.000 0.972 25 Y CA -1.188 56.950 58.100 0.063 0.000 1.157 25 Y CB 1.146 39.630 38.460 0.040 0.000 1.157 25 Y HN -0.173 nan 8.280 nan 0.000 0.495 26 T N 9.591 123.980 114.554 -0.275 0.000 3.542 26 T HA 0.172 4.522 4.350 0.000 0.000 0.276 26 T C -1.980 172.615 174.700 -0.174 0.000 1.412 26 T CA -0.841 61.136 62.100 -0.204 0.000 1.664 26 T CB 0.624 69.440 68.868 -0.087 0.000 0.863 26 T HN 0.511 nan 8.240 nan 0.000 0.661 27 P HA -0.033 nan 4.420 nan 0.000 0.223 27 P C 0.831 178.134 177.300 0.005 0.000 1.144 27 P CA 1.016 63.980 63.100 -0.227 0.000 0.783 27 P CB 0.581 32.041 31.700 -0.399 0.000 0.771 28 E N -1.886 118.312 120.200 -0.004 0.000 2.474 28 E HA 0.047 4.397 4.350 0.000 0.000 0.195 28 E C 0.154 176.797 176.600 0.072 0.000 1.039 28 E CA -0.481 55.938 56.400 0.031 0.000 0.881 28 E CB -0.758 28.943 29.700 0.003 0.000 0.970 28 E HN 0.232 nan 8.360 nan 0.000 0.486 29 Y N 1.845 122.137 120.300 -0.013 0.000 2.526 29 Y HA 0.057 4.607 4.550 0.000 0.000 0.330 29 Y C 0.035 175.891 175.900 -0.073 0.000 1.156 29 Y CA 0.065 58.144 58.100 -0.034 0.000 1.419 29 Y CB 0.401 38.853 38.460 -0.013 0.000 1.250 29 Y HN -0.135 nan 8.280 nan 0.000 0.540 30 E N 4.119 123.872 120.200 -0.744 0.000 2.156 30 E HA 0.165 4.515 4.350 0.000 0.000 0.279 30 E C -0.348 175.537 176.600 -1.191 0.000 0.965 30 E CA -0.669 55.326 56.400 -0.675 0.000 0.789 30 E CB 0.852 30.309 29.700 -0.405 0.000 1.098 30 E HN 0.737 nan 8.360 nan 0.000 0.397 31 T N 1.007 115.074 114.554 -0.812 0.000 2.930 31 T HA 0.219 4.569 4.350 0.000 0.000 0.306 31 T C 0.462 174.956 174.700 -0.343 0.000 1.045 31 T CA -0.498 61.265 62.100 -0.562 0.000 1.134 31 T CB 0.397 69.037 68.868 -0.380 0.000 0.961 31 T HN 0.255 nan 8.240 nan 0.000 0.545 32 L N 2.284 123.410 121.223 -0.162 0.000 2.418 32 L HA 0.286 4.626 4.340 0.000 0.000 0.265 32 L C 1.339 178.175 176.870 -0.058 0.000 1.143 32 L CA -0.744 54.043 54.840 -0.088 0.000 0.809 32 L CB 0.507 42.563 42.059 -0.005 0.000 1.124 32 L HN 0.743 nan 8.230 nan 0.000 0.456 33 D N 0.163 120.533 120.400 -0.049 0.000 2.378 33 D HA -0.074 4.566 4.640 0.000 0.000 0.227 33 D C 1.479 177.769 176.300 -0.016 0.000 1.012 33 D CA 1.080 55.059 54.000 -0.035 0.000 0.905 33 D CB 0.305 41.088 40.800 -0.028 0.000 0.895 33 D HN 0.730 nan 8.370 nan 0.000 0.532 34 T N -2.800 111.754 114.554 0.001 0.000 3.069 34 T HA 0.047 4.397 4.350 0.000 0.000 0.252 34 T C 0.555 175.275 174.700 0.032 0.000 1.053 34 T CA -0.512 61.602 62.100 0.024 0.000 0.964 34 T CB 0.644 69.537 68.868 0.042 0.000 1.005 34 T HN -0.235 nan 8.240 nan 0.000 0.532 35 D N 1.516 121.934 120.400 0.031 0.000 2.362 35 D HA 0.328 4.968 4.640 0.000 0.000 0.242 35 D C -0.016 176.285 176.300 0.000 0.000 1.132 35 D CA -0.373 53.666 54.000 0.065 0.000 0.907 35 D CB 0.924 41.775 40.800 0.085 0.000 1.195 35 D HN 0.323 nan 8.370 nan 0.000 0.429 36 I N 2.255 122.848 120.570 0.038 0.000 2.315 36 I HA 0.187 4.357 4.170 0.000 0.000 0.291 36 I C -0.109 176.055 176.117 0.078 0.000 1.006 36 I CA -0.557 60.687 61.300 -0.094 0.000 1.265 36 I CB 0.693 38.478 38.000 -0.359 0.000 1.387 36 I HN 0.032 nan 8.210 nan 0.000 0.475 37 L N 6.202 127.347 121.223 -0.131 0.000 2.322 37 L HA 0.766 5.106 4.340 0.000 0.000 0.279 37 L C 0.040 176.802 176.870 -0.181 0.000 1.036 37 L CA -0.584 54.181 54.840 -0.125 0.000 0.807 37 L CB 1.691 43.484 42.059 -0.443 0.000 1.226 37 L HN 0.617 nan 8.230 nan 0.000 0.433 38 A N 2.175 125.104 122.820 0.181 0.000 2.371 38 A HA 0.854 5.175 4.320 0.000 0.000 0.311 38 A C -0.608 177.092 177.584 0.193 0.000 1.068 38 A CA -0.545 51.559 52.037 0.111 0.000 0.744 38 A CB 1.683 20.721 19.000 0.062 0.000 1.239 38 A HN 0.749 nan 8.150 nan 0.000 0.435 39 A N 2.024 124.850 122.820 0.010 0.000 2.277 39 A HA 0.700 5.021 4.320 0.000 0.000 0.318 39 A C -1.137 176.170 177.584 -0.462 0.000 1.339 39 A CA -0.258 51.559 52.037 -0.366 0.000 0.875 39 A CB -0.300 18.325 19.000 -0.626 0.000 1.158 39 A HN 0.603 nan 8.150 nan 0.000 0.514 40 F N 1.370 121.156 119.950 -0.273 0.000 2.420 40 F HA 0.462 4.989 4.527 0.000 0.000 0.342 40 F C 0.985 176.662 175.800 -0.206 0.000 1.113 40 F CA -0.338 57.537 58.000 -0.208 0.000 1.059 40 F CB 1.635 40.534 39.000 -0.168 0.000 1.128 40 F HN 0.599 nan 8.300 nan 0.000 0.475 41 R N 3.915 124.437 120.500 0.038 0.000 2.235 41 R HA 0.502 4.842 4.340 0.000 0.000 0.338 41 R C -1.640 174.673 176.300 0.022 0.000 1.087 41 R CA -0.237 55.875 56.100 0.021 0.000 0.948 41 R CB 0.301 30.614 30.300 0.023 0.000 1.099 41 R HN 0.527 nan 8.270 nan 0.000 0.483 42 V N 3.572 123.504 119.914 0.030 0.000 2.407 42 V HA 0.236 4.356 4.120 0.000 0.000 0.278 42 V C -0.089 176.041 176.094 0.060 0.000 1.037 42 V CA -0.445 61.858 62.300 0.005 0.000 0.900 42 V CB 1.738 33.546 31.823 -0.024 0.000 0.983 42 V HN 0.717 nan 8.190 nan 0.000 0.459 43 S N 6.902 122.621 115.700 0.031 0.000 2.516 43 S HA 0.425 4.895 4.470 0.000 0.000 0.268 43 S C -2.585 172.037 174.600 0.036 0.000 1.251 43 S CA -1.017 57.209 58.200 0.044 0.000 1.153 43 S CB 1.062 64.285 63.200 0.040 0.000 1.009 43 S HN 0.580 nan 8.310 nan 0.000 0.479 44 P HA 0.156 nan 4.420 nan 0.000 0.274 44 P C -0.171 177.135 177.300 0.010 0.000 1.231 44 P CA -0.522 62.584 63.100 0.009 0.000 0.790 44 P CB 0.492 32.196 31.700 0.007 0.000 0.951 45 Q N 2.033 121.827 119.800 -0.011 0.000 2.417 45 Q HA 0.200 4.540 4.340 0.000 0.000 0.241 45 Q C -2.044 173.954 176.000 -0.004 0.000 1.008 45 Q CA -1.485 54.315 55.803 -0.004 0.000 0.901 45 Q CB -0.677 28.054 28.738 -0.012 0.000 1.259 45 Q HN 0.321 nan 8.270 nan 0.000 0.489 46 P HA -0.025 nan 4.420 nan 0.000 0.264 46 P C 0.455 177.750 177.300 -0.007 0.000 1.193 46 P CA 1.233 64.334 63.100 0.002 0.000 0.763 46 P CB 0.332 32.033 31.700 0.002 0.000 0.810 47 G N 1.425 110.220 108.800 -0.008 0.000 2.217 47 G HA2 -0.203 3.757 3.960 0.000 0.000 0.246 47 G HA3 -0.203 3.757 3.960 0.000 0.000 0.246 47 G C -0.033 174.848 174.900 -0.032 0.000 0.990 47 G CA -0.166 44.924 45.100 -0.017 0.000 0.627 47 G HN 0.513 nan 8.290 nan 0.000 0.522 48 V N 3.902 123.793 119.914 -0.039 0.000 2.333 48 V HA 0.469 4.589 4.120 0.000 0.000 0.274 48 V C -1.264 174.779 176.094 -0.086 0.000 1.028 48 V CA -1.415 60.844 62.300 -0.068 0.000 0.851 48 V CB 1.346 33.119 31.823 -0.083 0.000 1.000 48 V HN 0.278 nan 8.190 nan 0.000 0.456 49 P HA 0.218 nan 4.420 nan 0.000 0.271 49 P C -2.310 174.825 177.300 -0.274 0.000 1.218 49 P CA -1.551 61.451 63.100 -0.164 0.000 0.780 49 P CB 0.819 32.432 31.700 -0.145 0.000 0.901 50 P HA -0.214 nan 4.420 nan 0.000 0.216 50 P C 1.300 178.279 177.300 -0.534 0.000 1.157 50 P CA 1.706 64.393 63.100 -0.688 0.000 0.880 50 P CB 0.010 31.001 31.700 -1.182 0.000 0.791 51 E N -0.580 119.289 120.200 -0.551 0.000 2.085 51 E HA -0.217 4.133 4.350 0.000 0.000 0.194 51 E C 2.043 178.402 176.600 -0.401 0.000 0.994 51 E CA 1.317 57.295 56.400 -0.703 0.000 0.801 51 E CB -0.732 28.528 29.700 -0.733 0.000 0.743 51 E HN 0.302 nan 8.360 nan 0.000 0.453 52 E N 0.181 120.227 120.200 -0.257 0.000 2.152 52 E HA -0.021 4.329 4.350 0.000 0.000 0.192 52 E C 1.776 178.272 176.600 -0.174 0.000 0.983 52 E CA 1.072 57.391 56.400 -0.135 0.000 0.818 52 E CB -0.211 29.436 29.700 -0.089 0.000 0.758 52 E HN 0.227 nan 8.360 nan 0.000 0.467 53 A N 0.246 122.925 122.820 -0.235 0.000 1.855 53 A HA -0.019 4.301 4.320 0.000 0.000 0.215 53 A C 2.483 179.906 177.584 -0.269 0.000 1.191 53 A CA 1.704 53.587 52.037 -0.257 0.000 0.613 53 A CB -1.413 17.452 19.000 -0.224 0.000 0.829 53 A HN 0.406 nan 8.150 nan 0.000 0.442 54 G N -0.579 108.070 108.800 -0.252 0.000 2.442 54 G HA2 -0.007 3.953 3.960 0.000 0.000 0.219 54 G HA3 -0.007 3.953 3.960 0.000 0.000 0.219 54 G C 1.708 176.520 174.900 -0.147 0.000 1.141 54 G CA 1.537 46.518 45.100 -0.198 0.000 0.763 54 G HN 0.819 nan 8.290 nan 0.000 0.554 55 A N 1.050 123.805 122.820 -0.107 0.000 1.930 55 A HA 0.345 4.666 4.320 0.000 0.000 0.217 55 A C 2.796 180.236 177.584 -0.240 0.000 1.175 55 A CA 2.047 54.081 52.037 -0.005 0.000 0.627 55 A CB -0.680 18.404 19.000 0.140 0.000 0.815 55 A HN 0.741 nan 8.150 nan 0.000 0.443 56 A N -0.562 122.017 122.820 -0.402 0.000 1.933 56 A HA 0.017 4.337 4.320 0.000 0.000 0.218 56 A C 2.217 179.487 177.584 -0.523 0.000 1.175 56 A CA 1.728 53.226 52.037 -0.898 0.000 0.628 56 A CB -0.832 17.666 19.000 -0.837 0.000 0.814 56 A HN 0.349 nan 8.150 nan 0.000 0.444 57 V N -0.241 119.468 119.914 -0.343 0.000 2.307 57 V HA -0.228 3.892 4.120 0.000 0.000 0.245 57 V C 3.061 179.007 176.094 -0.247 0.000 1.045 57 V CA 1.931 64.050 62.300 -0.302 0.000 1.024 57 V CB -1.130 30.376 31.823 -0.529 0.000 0.651 57 V HN 0.612 nan 8.190 nan 0.000 0.449 58 A N -0.171 122.520 122.820 -0.215 0.000 1.902 58 A HA -0.097 4.223 4.320 0.000 0.000 0.217 58 A C 2.406 179.860 177.584 -0.216 0.000 1.181 58 A CA 2.096 54.059 52.037 -0.123 0.000 0.623 58 A CB -0.768 18.224 19.000 -0.013 0.000 0.818 58 A HN 0.556 nan 8.150 nan 0.000 0.443 59 A N -0.264 122.197 122.820 -0.600 0.000 1.845 59 A HA -0.143 4.177 4.320 0.000 0.000 0.215 59 A C 1.860 179.177 177.584 -0.444 0.000 1.195 59 A CA 1.561 52.958 52.037 -1.066 0.000 0.616 59 A CB -0.500 17.676 19.000 -1.373 0.000 0.832 59 A HN 0.455 nan 8.150 nan 0.000 0.443 60 E N 0.505 120.508 120.200 -0.329 0.000 2.478 60 E HA -0.071 4.279 4.350 0.000 0.000 0.198 60 E C 1.658 178.211 176.600 -0.078 0.000 1.046 60 E CA 1.044 57.356 56.400 -0.146 0.000 0.870 60 E CB -0.190 29.429 29.700 -0.136 0.000 0.818 60 E HN 0.720 nan 8.360 nan 0.000 0.527 61 S N -0.896 114.799 115.700 -0.009 0.000 2.557 61 S HA 0.128 4.598 4.470 0.000 0.000 0.223 61 S C 1.397 176.110 174.600 0.189 0.000 0.969 61 S CA 0.323 58.595 58.200 0.120 0.000 0.927 61 S CB 0.311 63.672 63.200 0.268 0.000 0.806 61 S HN 0.160 nan 8.310 nan 0.000 0.489 62 S N 1.363 117.135 115.700 0.119 0.000 4.640 62 S HA 0.148 4.618 4.470 0.000 0.000 0.157 62 S C 1.378 176.017 174.600 0.065 0.000 0.963 62 S CA 0.568 58.852 58.200 0.140 0.000 1.235 62 S CB -0.275 63.089 63.200 0.272 0.000 1.848 62 S HN 0.509 nan 8.310 nan 0.000 0.751 63 T N -0.771 113.844 114.554 0.102 0.000 2.975 63 T HA 0.500 4.850 4.350 0.000 0.000 0.261 63 T C 0.835 175.592 174.700 0.095 0.000 0.984 63 T CA 0.405 62.565 62.100 0.099 0.000 0.911 63 T CB 0.176 69.149 68.868 0.176 0.000 1.127 63 T HN 0.731 nan 8.240 nan 0.000 0.514 64 G N 0.211 109.038 108.800 0.045 0.000 2.461 64 G HA2 0.573 4.533 3.960 0.000 0.000 0.329 64 G HA3 0.573 4.533 3.960 0.000 0.000 0.329 64 G C -0.962 173.996 174.900 0.095 0.000 1.170 64 G CA -0.351 44.793 45.100 0.074 0.000 0.935 64 G HN 0.270 nan 8.290 nan 0.000 0.492 65 T N -1.165 113.479 114.554 0.149 0.000 2.742 65 T HA 0.399 4.749 4.350 0.000 0.000 0.282 65 T C 0.842 175.680 174.700 0.229 0.000 1.025 65 T CA -0.449 61.770 62.100 0.200 0.000 1.020 65 T CB 0.834 69.769 68.868 0.110 0.000 1.317 65 T HN 0.681 nan 8.240 nan 0.000 0.538 66 W N 0.921 122.320 121.300 0.164 0.000 2.465 66 W HA 0.198 4.858 4.660 0.000 0.000 0.268 66 W C 0.378 176.875 176.519 -0.036 0.000 1.242 66 W CA 0.838 58.225 57.345 0.071 0.000 1.248 66 W CB -1.193 28.330 29.460 0.106 0.000 1.118 66 W HN 0.558 nan 8.180 nan 0.000 0.587 67 T N 0.634 114.647 114.554 -0.903 0.000 2.865 67 T HA 0.359 4.709 4.350 0.000 0.000 0.294 67 T C -0.499 173.962 174.700 -0.399 0.000 1.119 67 T CA -0.375 61.259 62.100 -0.776 0.000 1.007 67 T CB 1.829 69.878 68.868 -1.364 0.000 1.225 67 T HN -0.207 nan 8.240 nan 0.000 0.515 68 T N 2.494 116.934 114.554 -0.189 0.000 2.814 68 T HA 0.464 4.814 4.350 0.000 0.000 0.297 68 T C 0.140 174.938 174.700 0.164 0.000 0.956 68 T CA -0.407 61.706 62.100 0.022 0.000 1.123 68 T CB 0.141 69.074 68.868 0.108 0.000 0.902 68 T HN 0.655 nan 8.240 nan 0.000 0.528 69 V N 3.501 123.442 119.914 0.044 0.000 2.483 69 V HA 0.442 4.563 4.120 0.000 0.000 0.295 69 V C 1.266 177.164 176.094 -0.326 0.000 1.035 69 V CA -1.137 61.081 62.300 -0.136 0.000 0.896 69 V CB 1.104 32.775 31.823 -0.252 0.000 0.986 69 V HN 1.040 nan 8.190 nan 0.000 0.447 70 W N 2.949 123.737 121.300 -0.854 0.000 2.392 70 W HA -0.124 4.536 4.660 0.000 0.000 0.279 70 W C 1.467 177.756 176.519 -0.384 0.000 1.225 70 W CA 1.488 58.251 57.345 -0.970 0.000 1.233 70 W CB -1.748 26.921 29.460 -1.318 0.000 1.122 70 W HN 0.764 nan 8.180 nan 0.000 0.561 71 T N -1.005 112.916 114.554 -1.055 0.000 2.977 71 T HA -0.235 4.115 4.350 0.000 0.000 0.271 71 T C 1.137 175.628 174.700 -0.348 0.000 1.105 71 T CA 1.650 63.217 62.100 -0.888 0.000 1.116 71 T CB -0.620 67.644 68.868 -1.006 0.000 0.878 71 T HN -0.052 nan 8.240 nan 0.000 0.509 72 D N 1.958 122.225 120.400 -0.222 0.000 2.182 72 D HA -0.033 4.607 4.640 0.000 0.000 0.201 72 D C 2.333 178.619 176.300 -0.023 0.000 0.986 72 D CA 1.318 55.269 54.000 -0.081 0.000 0.847 72 D CB -0.893 39.896 40.800 -0.018 0.000 0.942 72 D HN 0.612 nan 8.370 nan 0.000 0.467 73 G N 0.199 109.000 108.800 0.003 0.000 2.509 73 G HA2 -0.146 3.814 3.960 0.000 0.000 0.218 73 G HA3 -0.146 3.814 3.960 0.000 0.000 0.218 73 G C 1.611 176.545 174.900 0.057 0.000 1.124 73 G CA 0.068 45.203 45.100 0.058 0.000 0.776 73 G HN 0.284 nan 8.290 nan 0.000 0.547 74 L N 0.626 121.864 121.223 0.025 0.000 2.395 74 L HA 0.119 4.460 4.340 0.000 0.000 0.218 74 L C 1.351 178.236 176.870 0.026 0.000 1.130 74 L CA 0.497 55.356 54.840 0.031 0.000 0.826 74 L CB -0.345 41.713 42.059 -0.001 0.000 0.941 74 L HN 0.160 nan 8.230 nan 0.000 0.451 75 T N -2.380 112.189 114.554 0.025 0.000 2.844 75 T HA 0.215 4.565 4.350 0.000 0.000 0.274 75 T C -0.199 174.558 174.700 0.096 0.000 0.991 75 T CA -0.611 61.535 62.100 0.077 0.000 0.983 75 T CB 1.273 70.196 68.868 0.092 0.000 1.310 75 T HN -0.158 nan 8.240 nan 0.000 0.596 76 N N 0.974 119.767 118.700 0.156 0.000 2.936 76 N HA 0.180 4.920 4.740 0.000 0.000 0.243 76 N C 0.523 176.099 175.510 0.110 0.000 1.149 76 N CA -0.585 52.512 53.050 0.079 0.000 0.914 76 N CB 0.311 38.805 38.487 0.011 0.000 1.179 76 N HN 0.521 nan 8.380 nan 0.000 0.502 77 L N 2.246 123.526 121.223 0.095 0.000 2.081 77 L HA -0.120 4.220 4.340 0.000 0.000 0.212 77 L C 1.093 177.976 176.870 0.022 0.000 1.080 77 L CA 1.898 56.795 54.840 0.095 0.000 0.754 77 L CB -0.120 41.962 42.059 0.039 0.000 0.893 77 L HN 0.409 nan 8.230 nan 0.000 0.433 78 D N -1.154 119.220 120.400 -0.043 0.000 2.310 78 D HA -0.168 4.472 4.640 0.000 0.000 0.212 78 D C 2.181 178.413 176.300 -0.113 0.000 0.965 78 D CA 0.631 54.578 54.000 -0.088 0.000 0.879 78 D CB -0.168 40.586 40.800 -0.077 0.000 0.921 78 D HN 0.407 nan 8.370 nan 0.000 0.510 79 R N -0.477 119.918 120.500 -0.174 0.000 2.119 79 R HA -0.095 4.245 4.340 0.000 0.000 0.222 79 R C 1.228 177.263 176.300 -0.441 0.000 1.088 79 R CA 0.884 56.773 56.100 -0.352 0.000 0.984 79 R CB 0.115 30.087 30.300 -0.547 0.000 0.884 79 R HN 0.204 nan 8.270 nan 0.000 0.447 80 Y N 0.714 121.007 120.300 -0.011 0.000 2.524 80 Y HA 0.114 4.664 4.550 0.000 0.000 0.270 80 Y C 0.347 176.257 175.900 0.017 0.000 1.094 80 Y CA -0.088 58.012 58.100 -0.001 0.000 1.276 80 Y CB 0.071 38.527 38.460 -0.006 0.000 1.130 80 Y HN -0.076 nan 8.280 nan 0.000 0.536 81 K N 1.458 121.948 120.400 0.150 0.000 2.485 81 K HA 0.235 4.555 4.320 0.000 0.000 0.277 81 K C 0.542 177.202 176.600 0.100 0.000 0.990 81 K CA 0.316 56.699 56.287 0.159 0.000 0.994 81 K CB 0.478 32.980 32.500 0.003 0.000 0.906 81 K HN 0.158 nan 8.250 nan 0.000 0.488 82 G N 2.470 111.374 108.800 0.175 0.000 2.507 82 G HA2 0.336 4.296 3.960 0.000 0.000 0.271 82 G HA3 0.336 4.296 3.960 0.000 0.000 0.271 82 G C -0.728 174.182 174.900 0.017 0.000 1.189 82 G CA -0.991 44.089 45.100 -0.033 0.000 0.859 82 G HN 0.819 nan 8.290 nan 0.000 0.542 83 R N -0.021 120.410 120.500 -0.115 0.000 2.566 83 R HA 0.343 4.683 4.340 0.000 0.000 0.271 83 R C -1.675 174.673 176.300 0.080 0.000 1.071 83 R CA -0.735 55.357 56.100 -0.013 0.000 0.915 83 R CB 0.583 30.773 30.300 -0.183 0.000 1.228 83 R HN 0.490 nan 8.270 nan 0.000 0.449 84 C N 5.211 124.602 119.300 0.151 0.000 2.416 84 C HA 0.301 4.761 4.460 0.000 0.000 0.355 84 C C 0.903 176.037 174.990 0.240 0.000 1.211 84 C CA -0.473 58.661 59.018 0.193 0.000 1.699 84 C CB -1.744 26.137 27.740 0.235 0.000 2.310 84 C HN 0.868 nan 8.230 nan 0.000 0.539 85 Y N 2.943 123.376 120.300 0.222 0.000 2.449 85 Y HA 0.456 5.006 4.550 0.000 0.000 0.254 85 Y C 0.755 176.838 175.900 0.305 0.000 1.140 85 Y CA -0.124 58.100 58.100 0.207 0.000 1.272 85 Y CB -0.439 38.203 38.460 0.303 0.000 1.114 85 Y HN 0.784 nan 8.280 nan 0.000 0.525 86 H N 0.062 119.070 119.070 -0.102 0.000 3.094 86 H HA 0.542 5.098 4.556 0.000 0.000 0.346 86 H C -2.040 173.406 175.328 0.197 0.000 1.238 86 H CA -0.953 55.120 56.048 0.042 0.000 1.209 86 H CB 1.991 31.681 29.762 -0.120 0.000 1.911 86 H HN 0.107 nan 8.280 nan 0.000 0.540 87 I N 3.991 124.253 120.570 -0.513 0.000 2.534 87 I HA 0.175 4.345 4.170 0.000 0.000 0.288 87 I C -0.836 175.063 176.117 -0.365 0.000 1.077 87 I CA -0.554 60.587 61.300 -0.265 0.000 1.051 87 I CB 2.228 40.128 38.000 -0.167 0.000 1.234 87 I HN 0.524 nan 8.210 nan 0.000 0.425 88 E N 7.906 128.085 120.200 -0.035 0.000 2.224 88 E HA 0.546 4.896 4.350 0.000 0.000 0.265 88 E C -2.910 173.803 176.600 0.189 0.000 0.878 88 E CA -2.099 54.358 56.400 0.095 0.000 0.759 88 E CB 2.579 32.424 29.700 0.241 0.000 1.164 88 E HN 0.158 nan 8.360 nan 0.000 0.414 89 P HA 0.009 nan 4.420 nan 0.000 0.271 89 P C -0.147 177.132 177.300 -0.036 0.000 1.218 89 P CA -0.410 62.714 63.100 0.039 0.000 0.780 89 P CB 1.127 32.849 31.700 0.035 0.000 0.901 90 V N 2.813 122.639 119.914 -0.147 0.000 2.432 90 V HA 0.272 4.392 4.120 0.000 0.000 0.271 90 V C 1.070 177.120 176.094 -0.073 0.000 1.046 90 V CA -0.572 61.683 62.300 -0.075 0.000 0.945 90 V CB 0.335 32.112 31.823 -0.076 0.000 0.992 90 V HN 0.727 nan 8.190 nan 0.000 0.471 91 A N 4.363 127.165 122.820 -0.030 0.000 2.524 91 A HA 0.493 4.813 4.320 0.000 0.000 0.250 91 A C 1.522 179.090 177.584 -0.027 0.000 1.078 91 A CA 0.617 52.639 52.037 -0.024 0.000 0.761 91 A CB -0.502 18.493 19.000 -0.008 0.000 1.012 91 A HN 2.154 nan 8.150 nan 0.000 0.500 92 G N 1.389 110.171 108.800 -0.030 0.000 2.162 92 G HA2 -0.176 3.784 3.960 0.000 0.000 0.260 92 G HA3 -0.176 3.784 3.960 0.000 0.000 0.260 92 G C -0.008 174.871 174.900 -0.036 0.000 0.976 92 G CA 0.479 45.564 45.100 -0.025 0.000 0.655 92 G HN 0.789 nan 8.290 nan 0.000 0.533 93 E N 0.589 120.751 120.200 -0.062 0.000 2.202 93 E HA 0.530 4.881 4.350 0.000 0.000 0.272 93 E C -0.335 176.202 176.600 -0.105 0.000 0.951 93 E CA -0.576 55.776 56.400 -0.081 0.000 0.813 93 E CB 1.265 30.902 29.700 -0.105 0.000 1.151 93 E HN 0.430 nan 8.360 nan 0.000 0.398 94 E N 1.591 121.741 120.200 -0.083 0.000 2.081 94 E HA 0.219 4.569 4.350 0.000 0.000 0.276 94 E C -0.311 176.233 176.600 -0.094 0.000 0.950 94 E CA -0.607 55.749 56.400 -0.072 0.000 0.776 94 E CB 0.288 29.967 29.700 -0.036 0.000 1.094 94 E HN 0.337 nan 8.360 nan 0.000 0.402 95 N N 2.592 121.213 118.700 -0.131 0.000 2.714 95 N HA -0.259 4.482 4.740 0.000 0.000 0.253 95 N C -1.316 174.089 175.510 -0.175 0.000 1.024 95 N CA 0.822 53.804 53.050 -0.113 0.000 0.726 95 N CB -0.588 37.902 38.487 0.006 0.000 0.908 95 N HN 0.693 nan 8.380 nan 0.000 0.542 96 Q N 0.794 120.323 119.800 -0.452 0.000 2.289 96 Q HA 0.503 4.843 4.340 0.000 0.000 0.270 96 Q C -1.531 174.109 176.000 -0.600 0.000 1.038 96 Q CA -0.700 54.911 55.803 -0.320 0.000 0.812 96 Q CB 1.065 29.714 28.738 -0.148 0.000 1.300 96 Q HN 0.268 nan 8.270 nan 0.000 0.427 97 Y N 1.827 122.113 120.300 -0.024 0.000 2.576 97 Y HA 0.514 5.064 4.550 0.000 0.000 0.346 97 Y C -0.273 175.612 175.900 -0.025 0.000 1.018 97 Y CA -1.183 56.902 58.100 -0.024 0.000 1.050 97 Y CB 1.502 39.929 38.460 -0.054 0.000 1.280 97 Y HN 0.472 nan 8.280 nan 0.000 0.474 98 I N 2.401 123.062 120.570 0.152 0.000 2.306 98 I HA 0.205 4.375 4.170 0.000 0.000 0.288 98 I C -0.716 175.394 176.117 -0.012 0.000 1.036 98 I CA -0.583 60.736 61.300 0.032 0.000 1.221 98 I CB 0.044 38.088 38.000 0.073 0.000 1.385 98 I HN 0.578 nan 8.210 nan 0.000 0.472 99 C N 7.071 126.340 119.300 -0.053 0.000 2.307 99 C HA 0.426 4.886 4.460 0.000 0.000 0.340 99 C C 0.094 175.031 174.990 -0.088 0.000 1.275 99 C CA -0.643 58.362 59.018 -0.021 0.000 1.811 99 C CB -0.408 27.318 27.740 -0.024 0.000 2.372 99 C HN 0.467 nan 8.230 nan 0.000 0.531 100 Y N 1.928 122.210 120.300 -0.030 0.000 2.313 100 Y HA 0.533 5.083 4.550 0.000 0.000 0.332 100 Y C 0.367 176.182 175.900 -0.142 0.000 1.071 100 Y CA -0.283 57.762 58.100 -0.092 0.000 1.169 100 Y CB 0.780 38.986 38.460 -0.423 0.000 1.192 100 Y HN 0.415 nan 8.280 nan 0.000 0.487 101 V N 2.847 122.929 119.914 0.281 0.000 2.604 101 V HA 0.815 4.936 4.120 0.000 0.000 0.305 101 V C -0.362 175.889 176.094 0.262 0.000 1.043 101 V CA -1.133 61.292 62.300 0.209 0.000 0.888 101 V CB 1.637 33.518 31.823 0.096 0.000 0.995 101 V HN 0.849 nan 8.190 nan 0.000 0.429 102 A N 4.040 126.958 122.820 0.163 0.000 2.318 102 A HA 0.861 5.181 4.320 0.000 0.000 0.324 102 A C -1.476 176.019 177.584 -0.149 0.000 1.170 102 A CA -0.390 51.708 52.037 0.102 0.000 0.810 102 A CB 0.629 19.697 19.000 0.114 0.000 1.198 102 A HN 0.747 nan 8.150 nan 0.000 0.484 103 Y N 2.411 122.827 120.300 0.194 0.000 2.331 103 Y HA 0.424 4.974 4.550 0.000 0.000 0.334 103 Y C -2.379 173.661 175.900 0.234 0.000 0.960 103 Y CA -2.395 55.846 58.100 0.234 0.000 1.130 103 Y CB 1.740 40.460 38.460 0.434 0.000 1.164 103 Y HN 0.494 nan 8.280 nan 0.000 0.458 104 P HA -0.057 nan 4.420 nan 0.000 0.266 104 P C 0.802 178.264 177.300 0.271 0.000 1.195 104 P CA -0.076 63.148 63.100 0.206 0.000 0.768 104 P CB 0.907 32.680 31.700 0.122 0.000 0.838 105 L N 3.379 124.724 121.223 0.203 0.000 2.051 105 L HA -0.236 4.104 4.340 0.000 0.000 0.214 105 L C 1.308 178.311 176.870 0.222 0.000 1.076 105 L CA 2.111 57.075 54.840 0.207 0.000 0.758 105 L CB -1.127 41.013 42.059 0.134 0.000 0.890 105 L HN 0.307 nan 8.230 nan 0.000 0.433 106 D N -0.760 119.741 120.400 0.169 0.000 2.354 106 D HA -0.153 4.487 4.640 0.000 0.000 0.216 106 D C 2.136 178.474 176.300 0.064 0.000 0.970 106 D CA 0.897 54.994 54.000 0.162 0.000 0.905 106 D CB -0.147 40.815 40.800 0.270 0.000 0.903 106 D HN 0.411 nan 8.370 nan 0.000 0.508 107 L N -0.881 120.292 121.223 -0.083 0.000 2.478 107 L HA 0.047 4.388 4.340 0.000 0.000 0.223 107 L C 0.146 176.582 176.870 -0.723 0.000 1.140 107 L CA 0.296 54.866 54.840 -0.450 0.000 0.842 107 L CB -0.116 41.538 42.059 -0.675 0.000 0.953 107 L HN -0.103 nan 8.230 nan 0.000 0.452 108 F N -0.386 119.531 119.950 -0.054 0.000 2.480 108 F HA 0.323 4.850 4.527 0.000 0.000 0.329 108 F C 0.594 176.439 175.800 0.075 0.000 1.091 108 F CA -1.185 56.782 58.000 -0.056 0.000 0.972 108 F CB 1.080 39.885 39.000 -0.324 0.000 1.150 108 F HN -0.187 nan 8.300 nan 0.000 0.467 109 E N 1.653 122.017 120.200 0.272 0.000 2.316 109 E HA 0.155 4.505 4.350 0.000 0.000 0.275 109 E C -0.830 175.921 176.600 0.253 0.000 1.029 109 E CA -0.611 55.903 56.400 0.189 0.000 0.871 109 E CB 0.607 30.366 29.700 0.098 0.000 1.022 109 E HN 0.503 nan 8.360 nan 0.000 0.418 110 E N 2.613 122.893 120.200 0.133 0.000 2.452 110 E HA 0.167 4.517 4.350 0.000 0.000 0.261 110 E C 0.965 177.336 176.600 -0.381 0.000 0.987 110 E CA 1.362 57.727 56.400 -0.057 0.000 0.926 110 E CB 0.508 30.168 29.700 -0.066 0.000 0.934 110 E HN 0.819 nan 8.360 nan 0.000 0.452 111 G N 2.578 110.734 108.800 -1.073 0.000 2.175 111 G HA2 -0.347 3.613 3.960 0.000 0.000 0.265 111 G HA3 -0.347 3.613 3.960 0.000 0.000 0.265 111 G C 0.397 174.830 174.900 -0.778 0.000 0.979 111 G CA 0.618 44.789 45.100 -1.548 0.000 0.663 111 G HN 0.558 nan 8.290 nan 0.000 0.533 112 S N -0.343 115.192 115.700 -0.275 0.000 2.488 112 S HA 0.528 4.998 4.470 0.000 0.000 0.310 112 S C 1.559 176.260 174.600 0.168 0.000 1.093 112 S CA 0.092 58.315 58.200 0.038 0.000 1.129 112 S CB 1.183 64.412 63.200 0.049 0.000 0.989 112 S HN 0.544 nan 8.310 nan 0.000 0.479 113 V N 4.939 124.908 119.914 0.092 0.000 2.490 113 V HA -0.133 3.987 4.120 0.000 0.000 0.250 113 V C 2.584 178.417 176.094 -0.435 0.000 1.061 113 V CA 2.411 64.498 62.300 -0.355 0.000 1.064 113 V CB -1.050 30.235 31.823 -0.898 0.000 0.670 113 V HN 0.833 nan 8.190 nan 0.000 0.461 114 T N 0.038 114.485 114.554 -0.179 0.000 2.665 114 T HA -0.259 4.091 4.350 0.000 0.000 0.268 114 T C 1.918 176.646 174.700 0.047 0.000 1.035 114 T CA 1.991 64.079 62.100 -0.020 0.000 1.151 114 T CB -0.463 68.453 68.868 0.079 0.000 0.862 114 T HN 0.588 nan 8.240 nan 0.000 0.438 115 N N 0.468 119.217 118.700 0.081 0.000 2.171 115 N HA -0.059 4.681 4.740 0.000 0.000 0.184 115 N C 2.126 177.761 175.510 0.208 0.000 1.021 115 N CA 1.038 54.168 53.050 0.133 0.000 0.854 115 N CB -0.208 38.367 38.487 0.147 0.000 0.994 115 N HN 0.393 nan 8.380 nan 0.000 0.426 116 M N -0.097 119.649 119.600 0.242 0.000 2.080 116 M HA -0.191 4.289 4.480 0.000 0.000 0.260 116 M C 1.491 177.969 176.300 0.295 0.000 1.068 116 M CA 1.601 57.074 55.300 0.289 0.000 1.109 116 M CB -0.158 32.487 32.600 0.074 0.000 1.342 116 M HN 0.037 nan 8.290 nan 0.000 0.405 117 F N 0.600 120.554 119.950 0.006 0.000 2.146 117 F HA -0.126 4.401 4.527 0.000 0.000 0.298 117 F C 2.617 178.431 175.800 0.024 0.000 1.096 117 F CA 1.644 59.638 58.000 -0.011 0.000 1.275 117 F CB -1.712 37.269 39.000 -0.032 0.000 1.008 117 F HN 0.201 nan 8.300 nan 0.000 0.480 118 T N -0.713 113.980 114.554 0.231 0.000 2.737 118 T HA -0.188 4.162 4.350 0.000 0.000 0.269 118 T C 2.354 177.109 174.700 0.091 0.000 1.040 118 T CA 1.787 63.966 62.100 0.131 0.000 1.142 118 T CB -0.342 68.582 68.868 0.093 0.000 0.861 118 T HN 0.146 nan 8.240 nan 0.000 0.456 119 S N 0.578 116.333 115.700 0.092 0.000 2.325 119 S HA 0.153 4.623 4.470 0.000 0.000 0.214 119 S C 2.057 176.691 174.600 0.057 0.000 1.031 119 S CA 0.587 58.805 58.200 0.030 0.000 0.972 119 S CB -0.248 62.911 63.200 -0.069 0.000 0.908 119 S HN 0.406 nan 8.310 nan 0.000 0.453 120 I N 0.765 121.367 120.570 0.052 0.000 2.394 120 I HA -0.043 4.127 4.170 0.000 0.000 0.251 120 I C 1.382 177.693 176.117 0.323 0.000 1.136 120 I CA 0.987 62.350 61.300 0.105 0.000 1.425 120 I CB -0.014 37.971 38.000 -0.026 0.000 1.079 120 I HN 0.128 nan 8.210 nan 0.000 0.425 121 V N 0.245 120.282 119.914 0.205 0.000 3.346 121 V HA 0.237 4.357 4.120 0.000 0.000 0.309 121 V C 1.828 177.972 176.094 0.083 0.000 1.457 121 V CA 0.568 62.981 62.300 0.187 0.000 1.069 121 V CB 0.603 32.339 31.823 -0.144 0.000 0.944 121 V HN 0.408 nan 8.190 nan 0.000 0.449 122 G N 1.031 109.890 108.800 0.098 0.000 2.414 122 G HA2 -0.166 3.794 3.960 0.000 0.000 0.215 122 G HA3 -0.166 3.794 3.960 0.000 0.000 0.215 122 G C 1.134 176.050 174.900 0.027 0.000 1.188 122 G CA 1.076 46.205 45.100 0.048 0.000 0.783 122 G HN 0.547 nan 8.290 nan 0.000 0.537 123 N N -0.488 118.218 118.700 0.010 0.000 2.211 123 N HA 0.009 4.749 4.740 0.000 0.000 0.216 123 N C 2.159 177.574 175.510 -0.158 0.000 1.240 123 N CA 0.794 53.798 53.050 -0.077 0.000 0.895 123 N CB 0.569 38.961 38.487 -0.158 0.000 1.102 123 N HN 0.290 nan 8.380 nan 0.000 0.498 124 V N -1.230 118.632 119.914 -0.087 0.000 2.594 124 V HA -0.052 4.068 4.120 0.000 0.000 0.253 124 V C 1.634 177.698 176.094 -0.049 0.000 1.069 124 V CA 1.261 63.451 62.300 -0.183 0.000 1.082 124 V CB -1.168 30.552 31.823 -0.171 0.000 0.680 124 V HN -0.081 nan 8.190 nan 0.000 0.469 125 F N 2.441 122.361 119.950 -0.049 0.000 2.641 125 F HA 0.306 4.833 4.527 0.000 0.000 0.298 125 F C 2.236 178.105 175.800 0.116 0.000 1.146 125 F CA 0.994 59.021 58.000 0.045 0.000 1.464 125 F CB -0.679 38.338 39.000 0.028 0.000 1.101 125 F HN 0.351 nan 8.300 nan 0.000 0.585 126 G N -1.694 107.207 108.800 0.167 0.000 3.277 126 G HA2 0.033 3.993 3.960 0.000 0.000 0.243 126 G HA3 0.033 3.993 3.960 0.000 0.000 0.243 126 G C 0.116 175.076 174.900 0.099 0.000 1.107 126 G CA -0.204 44.961 45.100 0.109 0.000 0.771 126 G HN -0.020 nan 8.290 nan 0.000 0.544 127 F N 1.789 121.753 119.950 0.024 0.000 2.602 127 F HA 0.154 4.681 4.527 0.000 0.000 0.385 127 F C 1.748 177.548 175.800 -0.000 0.000 1.063 127 F CA -0.197 57.799 58.000 -0.006 0.000 1.233 127 F CB 0.995 39.963 39.000 -0.054 0.000 1.067 127 F HN -0.000 nan 8.300 nan 0.000 0.564 128 K N 3.045 123.621 120.400 0.294 0.000 2.152 128 K HA -0.161 4.159 4.320 0.000 0.000 0.206 128 K C 1.925 178.568 176.600 0.072 0.000 1.048 128 K CA 1.319 57.686 56.287 0.134 0.000 0.933 128 K CB -0.107 32.451 32.500 0.095 0.000 0.721 128 K HN 0.694 nan 8.250 nan 0.000 0.447 129 A N 0.817 123.651 122.820 0.024 0.000 2.216 129 A HA 0.021 4.341 4.320 0.000 0.000 0.214 129 A C 0.689 178.231 177.584 -0.069 0.000 1.160 129 A CA 0.670 52.659 52.037 -0.080 0.000 0.725 129 A CB -0.197 18.667 19.000 -0.228 0.000 0.784 129 A HN 0.108 nan 8.150 nan 0.000 0.472 130 L N -1.701 119.520 121.223 -0.003 0.000 2.346 130 L HA 0.435 4.775 4.340 0.000 0.000 0.274 130 L C 1.234 178.130 176.870 0.042 0.000 1.007 130 L CA -0.734 54.109 54.840 0.004 0.000 0.818 130 L CB 1.757 43.823 42.059 0.012 0.000 1.284 130 L HN 0.142 nan 8.230 nan 0.000 0.424 131 R N 1.276 121.799 120.500 0.037 0.000 2.100 131 R HA 0.317 4.657 4.340 0.000 0.000 0.220 131 R C 0.135 176.487 176.300 0.087 0.000 1.091 131 R CA 0.800 56.928 56.100 0.047 0.000 0.986 131 R CB 0.404 30.725 30.300 0.034 0.000 0.888 131 R HN 0.748 nan 8.270 nan 0.000 0.444 132 A N 0.168 123.058 122.820 0.116 0.000 2.610 132 A HA 0.620 4.940 4.320 0.000 0.000 0.291 132 A C -2.057 175.601 177.584 0.123 0.000 1.086 132 A CA -0.613 51.574 52.037 0.250 0.000 0.677 132 A CB 1.715 20.845 19.000 0.217 0.000 1.278 132 A HN 0.044 nan 8.150 nan 0.000 0.414 133 L N 0.208 121.466 121.223 0.058 0.000 2.565 133 L HA 0.746 5.086 4.340 0.000 0.000 0.261 133 L C -0.796 175.934 176.870 -0.234 0.000 0.932 133 L CA -0.064 54.618 54.840 -0.264 0.000 0.878 133 L CB 1.956 43.596 42.059 -0.697 0.000 1.333 133 L HN 0.852 nan 8.230 nan 0.000 0.409 134 R N 3.879 124.354 120.500 -0.041 0.000 2.575 134 R HA 0.625 4.965 4.340 0.000 0.000 0.293 134 R C -1.845 174.540 176.300 0.141 0.000 0.983 134 R CA -0.906 55.270 56.100 0.127 0.000 0.887 134 R CB 1.799 32.154 30.300 0.092 0.000 1.184 134 R HN 0.658 nan 8.270 nan 0.000 0.445 135 L N 4.359 125.703 121.223 0.202 0.000 2.260 135 L HA 0.266 4.606 4.340 0.000 0.000 0.289 135 L C 0.676 177.478 176.870 -0.114 0.000 1.057 135 L CA 0.480 55.270 54.840 -0.084 0.000 0.811 135 L CB 1.219 43.226 42.059 -0.086 0.000 1.184 135 L HN 0.712 nan 8.230 nan 0.000 0.429 136 E N 2.232 122.272 120.200 -0.267 0.000 2.166 136 E HA 0.103 4.453 4.350 0.000 0.000 0.192 136 E C -0.255 176.166 176.600 -0.299 0.000 0.967 136 E CA 0.488 56.697 56.400 -0.319 0.000 0.840 136 E CB 0.469 29.726 29.700 -0.738 0.000 0.795 136 E HN 0.684 nan 8.360 nan 0.000 0.470 137 D N -1.107 119.122 120.400 -0.285 0.000 2.653 137 D HA 0.390 5.030 4.640 0.000 0.000 0.258 137 D C -1.533 174.842 176.300 0.125 0.000 1.252 137 D CA -0.467 53.526 54.000 -0.012 0.000 0.777 137 D CB 1.402 42.252 40.800 0.083 0.000 1.339 137 D HN -0.154 nan 8.370 nan 0.000 0.422 138 L N 1.377 122.676 121.223 0.126 0.000 2.436 138 L HA 0.494 4.834 4.340 0.000 0.000 0.268 138 L C -0.298 176.470 176.870 -0.170 0.000 0.974 138 L CA -0.891 53.912 54.840 -0.062 0.000 0.826 138 L CB 2.247 44.255 42.059 -0.085 0.000 1.291 138 L HN 0.182 nan 8.230 nan 0.000 0.406 139 R N 4.207 124.384 120.500 -0.538 0.000 2.204 139 R HA 0.457 4.797 4.340 0.000 0.000 0.341 139 R C -0.961 175.138 176.300 -0.335 0.000 1.035 139 R CA -0.473 55.347 56.100 -0.466 0.000 0.887 139 R CB 0.358 30.225 30.300 -0.720 0.000 1.114 139 R HN 0.570 nan 8.270 nan 0.000 0.473 140 I N 7.931 128.319 120.570 -0.303 0.000 2.337 140 I HA 0.191 4.361 4.170 0.000 0.000 0.291 140 I C -1.630 174.356 176.117 -0.219 0.000 1.046 140 I CA -1.907 59.238 61.300 -0.259 0.000 1.324 140 I CB 1.435 39.262 38.000 -0.288 0.000 1.409 140 I HN 0.302 nan 8.210 nan 0.000 0.494 141 P HA -0.052 nan 4.420 nan 0.000 0.268 141 P C 1.051 178.339 177.300 -0.021 0.000 1.205 141 P CA -0.086 62.976 63.100 -0.063 0.000 0.771 141 P CB 1.107 32.795 31.700 -0.021 0.000 0.858 142 V N 0.689 120.587 119.914 -0.027 0.000 2.720 142 V HA -0.187 3.933 4.120 0.000 0.000 0.256 142 V C 2.163 178.290 176.094 0.055 0.000 1.082 142 V CA 1.910 64.210 62.300 0.001 0.000 1.101 142 V CB -1.992 29.834 31.823 0.006 0.000 0.693 142 V HN 0.523 nan 8.190 nan 0.000 0.479 143 A N -1.046 121.818 122.820 0.073 0.000 2.014 143 A HA -0.062 4.258 4.320 0.000 0.000 0.218 143 A C 2.095 179.784 177.584 0.175 0.000 1.163 143 A CA 1.628 53.725 52.037 0.100 0.000 0.652 143 A CB -0.676 18.377 19.000 0.090 0.000 0.808 143 A HN 0.693 nan 8.150 nan 0.000 0.449 144 Y N -0.158 120.169 120.300 0.045 0.000 2.347 144 Y HA 0.018 4.568 4.550 0.000 0.000 0.294 144 Y C 2.278 178.314 175.900 0.227 0.000 1.117 144 Y CA 0.908 59.072 58.100 0.106 0.000 1.184 144 Y CB -0.146 38.339 38.460 0.043 0.000 1.047 144 Y HN 0.046 nan 8.280 nan 0.000 0.546 145 V N 0.766 120.765 119.914 0.142 0.000 2.332 145 V HA -0.319 3.801 4.120 0.000 0.000 0.248 145 V C 2.191 178.395 176.094 0.183 0.000 1.055 145 V CA 2.055 64.421 62.300 0.109 0.000 1.038 145 V CB -0.514 31.334 31.823 0.041 0.000 0.651 145 V HN 0.229 nan 8.190 nan 0.000 0.450 146 K N 0.602 121.070 120.400 0.113 0.000 2.519 146 K HA -0.079 4.241 4.320 0.000 0.000 0.196 146 K C 1.954 178.565 176.600 0.019 0.000 1.041 146 K CA 1.463 57.794 56.287 0.073 0.000 0.954 146 K CB -0.751 31.780 32.500 0.051 0.000 0.774 146 K HN 0.770 nan 8.250 nan 0.000 0.480 147 T N -2.327 112.203 114.554 -0.039 0.000 3.129 147 T HA 0.143 4.493 4.350 0.000 0.000 0.251 147 T C 0.436 174.878 174.700 -0.431 0.000 1.117 147 T CA -0.235 61.717 62.100 -0.246 0.000 1.034 147 T CB -0.213 68.431 68.868 -0.373 0.000 0.968 147 T HN -0.165 nan 8.240 nan 0.000 0.526 148 F N 1.021 120.883 119.950 -0.147 0.000 2.507 148 F HA 0.505 5.033 4.527 0.000 0.000 0.327 148 F C 1.503 177.268 175.800 -0.058 0.000 1.068 148 F CA -1.356 56.583 58.000 -0.101 0.000 0.965 148 F CB 2.022 40.952 39.000 -0.117 0.000 1.192 148 F HN -0.135 nan 8.300 nan 0.000 0.476 149 Q N 1.865 121.753 119.800 0.147 0.000 2.137 149 Q HA 0.240 4.580 4.340 0.000 0.000 0.198 149 Q C 0.998 177.035 176.000 0.062 0.000 0.960 149 Q CA 1.151 56.982 55.803 0.047 0.000 0.847 149 Q CB -0.020 28.719 28.738 0.002 0.000 0.915 149 Q HN 1.007 nan 8.270 nan 0.000 0.448 150 G N 0.467 109.331 108.800 0.105 0.000 2.642 150 G HA2 -0.241 3.719 3.960 0.000 0.000 0.231 150 G HA3 -0.241 3.719 3.960 0.000 0.000 0.231 150 G C -2.554 172.328 174.900 -0.029 0.000 1.338 150 G CA -0.437 44.672 45.100 0.015 0.000 0.883 150 G HN 0.316 nan 8.290 nan 0.000 0.570 151 P HA 0.199 nan 4.420 nan 0.000 0.265 151 P C -1.732 175.498 177.300 -0.118 0.000 1.187 151 P CA -0.343 62.703 63.100 -0.092 0.000 0.766 151 P CB 0.421 32.062 31.700 -0.099 0.000 0.820 152 P HA -0.149 nan 4.420 nan 0.000 0.218 152 P C 0.429 177.268 177.300 -0.769 0.000 1.149 152 P CA 1.860 64.752 63.100 -0.346 0.000 0.817 152 P CB 0.129 31.707 31.700 -0.204 0.000 0.785 153 H N -3.649 115.402 119.070 -0.031 0.000 1.955 153 H HA 0.453 5.009 4.556 0.000 0.000 0.196 153 H C 0.862 176.180 175.328 -0.016 0.000 0.891 153 H CA 0.730 56.766 56.048 -0.020 0.000 1.001 153 H CB -0.050 29.700 29.762 -0.019 0.000 1.195 153 H HN 0.055 nan 8.280 nan 0.000 0.384 154 G N 0.457 109.304 108.800 0.078 0.000 2.662 154 G HA2 -0.198 3.762 3.960 0.000 0.000 0.686 154 G HA3 -0.198 3.762 3.960 0.000 0.000 0.686 154 G C 0.633 175.573 174.900 0.067 0.000 1.271 154 G CA -0.197 44.924 45.100 0.034 0.000 0.816 154 G HN 0.253 nan 8.290 nan 0.000 0.608 155 I N 0.160 120.758 120.570 0.046 0.000 2.113 155 I HA -0.319 3.851 4.170 0.000 0.000 0.242 155 I C 2.912 179.077 176.117 0.080 0.000 1.064 155 I CA 2.535 63.872 61.300 0.061 0.000 1.320 155 I CB -0.242 37.784 38.000 0.043 0.000 1.028 155 I HN 0.770 nan 8.210 nan 0.000 0.406 156 Q N 0.980 120.827 119.800 0.078 0.000 2.020 156 Q HA -0.186 4.154 4.340 0.000 0.000 0.202 156 Q C 2.390 178.456 176.000 0.109 0.000 0.982 156 Q CA 2.205 58.068 55.803 0.100 0.000 0.838 156 Q CB -0.018 28.769 28.738 0.083 0.000 0.899 156 Q HN 0.389 nan 8.270 nan 0.000 0.423 157 V N 1.358 121.333 119.914 0.100 0.000 2.343 157 V HA -0.258 3.862 4.120 0.000 0.000 0.247 157 V C 2.317 178.460 176.094 0.082 0.000 1.051 157 V CA 2.240 64.605 62.300 0.108 0.000 1.036 157 V CB -0.748 31.168 31.823 0.154 0.000 0.654 157 V HN 0.502 nan 8.190 nan 0.000 0.451 158 E N 0.344 120.595 120.200 0.086 0.000 2.051 158 E HA -0.244 4.106 4.350 0.000 0.000 0.192 158 E C 2.451 179.066 176.600 0.026 0.000 0.991 158 E CA 1.390 57.826 56.400 0.060 0.000 0.799 158 E CB -0.083 29.684 29.700 0.111 0.000 0.748 158 E HN 0.527 nan 8.360 nan 0.000 0.449 159 R N 0.346 120.853 120.500 0.013 0.000 2.096 159 R HA -0.116 4.224 4.340 0.000 0.000 0.235 159 R C 1.926 178.099 176.300 -0.210 0.000 1.127 159 R CA 1.401 57.417 56.100 -0.140 0.000 0.968 159 R CB -0.154 30.099 30.300 -0.078 0.000 0.861 159 R HN 0.270 nan 8.270 nan 0.000 0.440 160 D N 0.552 120.967 120.400 0.026 0.000 2.117 160 D HA -0.103 4.537 4.640 0.000 0.000 0.198 160 D C 1.809 178.130 176.300 0.034 0.000 0.982 160 D CA 1.040 55.105 54.000 0.109 0.000 0.828 160 D CB 0.013 40.901 40.800 0.146 0.000 0.967 160 D HN 0.012 nan 8.370 nan 0.000 0.464 161 K N 0.444 120.846 120.400 0.004 0.000 2.057 161 K HA -0.008 4.312 4.320 0.000 0.000 0.207 161 K C 2.206 178.792 176.600 -0.022 0.000 1.049 161 K CA 0.477 56.755 56.287 -0.014 0.000 0.931 161 K CB -0.311 32.156 32.500 -0.054 0.000 0.714 161 K HN 0.272 nan 8.250 nan 0.000 0.440 162 L N 0.231 121.425 121.223 -0.048 0.000 2.509 162 L HA 0.074 4.414 4.340 0.000 0.000 0.222 162 L C 0.550 177.342 176.870 -0.130 0.000 1.123 162 L CA -0.021 54.781 54.840 -0.063 0.000 0.856 162 L CB -0.503 41.532 42.059 -0.039 0.000 0.985 162 L HN 0.394 nan 8.230 nan 0.000 0.456 163 N N 1.555 120.133 118.700 -0.203 0.000 2.756 163 N HA -0.175 4.565 4.740 0.000 0.000 0.248 163 N C -0.542 174.732 175.510 -0.395 0.000 1.062 163 N CA 0.390 53.301 53.050 -0.232 0.000 0.696 163 N CB -0.354 38.115 38.487 -0.031 0.000 0.946 163 N HN 0.379 nan 8.380 nan 0.000 0.548 164 K N 1.564 121.540 120.400 -0.708 0.000 2.463 164 K HA 0.421 4.742 4.320 0.000 0.000 0.255 164 K C -1.501 174.691 176.600 -0.680 0.000 0.942 164 K CA -0.367 55.626 56.287 -0.490 0.000 0.814 164 K CB 1.155 33.492 32.500 -0.272 0.000 1.122 164 K HN 0.121 nan 8.250 nan 0.000 0.425 165 Y N -0.644 119.662 120.300 0.010 0.000 2.544 165 Y HA 0.407 4.957 4.550 0.000 0.000 0.342 165 Y C 0.901 176.809 175.900 0.014 0.000 1.062 165 Y CA -0.774 57.335 58.100 0.015 0.000 1.023 165 Y CB 2.525 40.995 38.460 0.016 0.000 1.308 165 Y HN 0.755 nan 8.280 nan 0.000 0.457 166 G N 1.568 110.478 108.800 0.183 0.000 2.141 166 G HA2 -0.180 3.780 3.960 0.000 0.000 0.242 166 G HA3 -0.180 3.780 3.960 0.000 0.000 0.242 166 G C -0.245 174.700 174.900 0.075 0.000 0.982 166 G CA 0.206 45.372 45.100 0.110 0.000 0.662 166 G HN 0.958 nan 8.290 nan 0.000 0.527 167 R N -1.876 118.663 120.500 0.065 0.000 2.753 167 R HA 0.566 4.907 4.340 0.000 0.000 0.272 167 R C -3.533 172.791 176.300 0.039 0.000 1.034 167 R CA -1.646 54.483 56.100 0.050 0.000 0.869 167 R CB 0.351 30.673 30.300 0.037 0.000 1.264 167 R HN 0.028 nan 8.270 nan 0.000 0.481 168 P HA 0.133 nan 4.420 nan 0.000 0.272 168 P C -0.545 176.763 177.300 0.013 0.000 1.230 168 P CA -0.335 62.785 63.100 0.032 0.000 0.788 168 P CB 0.505 32.235 31.700 0.050 0.000 0.949 169 L N 1.616 122.841 121.223 0.003 0.000 2.399 169 L HA 0.387 4.727 4.340 0.000 0.000 0.266 169 L C 0.193 177.076 176.870 0.023 0.000 1.114 169 L CA -0.589 54.242 54.840 -0.015 0.000 0.804 169 L CB 0.218 42.301 42.059 0.040 0.000 1.146 169 L HN 0.170 nan 8.230 nan 0.000 0.451 170 L N 1.308 122.522 121.223 -0.015 0.000 2.322 170 L HA 0.680 5.021 4.340 0.000 0.000 0.281 170 L C 0.323 177.249 176.870 0.094 0.000 1.014 170 L CA -0.260 54.621 54.840 0.069 0.000 0.815 170 L CB 1.744 43.835 42.059 0.052 0.000 1.247 170 L HN 0.699 nan 8.230 nan 0.000 0.421 171 G N 0.790 109.678 108.800 0.147 0.000 3.042 171 G HA2 0.640 4.600 3.960 0.000 0.000 0.278 171 G HA3 0.640 4.600 3.960 0.000 0.000 0.278 171 G C -1.804 173.121 174.900 0.042 0.000 1.371 171 G CA -0.516 44.647 45.100 0.105 0.000 1.009 171 G HN 0.688 nan 8.290 nan 0.000 0.523 172 C N -0.014 119.249 119.300 -0.061 0.000 3.050 172 C HA 0.617 5.077 4.460 0.000 0.000 0.416 172 C C -0.273 174.652 174.990 -0.108 0.000 0.994 172 C CA -0.509 58.486 59.018 -0.039 0.000 1.222 172 C CB 0.310 28.054 27.740 0.008 0.000 1.612 172 C HN 0.809 nan 8.230 nan 0.000 0.550 173 T N 7.167 121.673 114.554 -0.080 0.000 2.794 173 T HA 0.381 4.731 4.350 0.000 0.000 0.296 173 T C 0.559 175.222 174.700 -0.062 0.000 0.949 173 T CA -0.174 61.879 62.100 -0.078 0.000 1.101 173 T CB 0.293 69.138 68.868 -0.038 0.000 0.905 173 T HN 0.579 nan 8.240 nan 0.000 0.516 174 I N 4.203 124.720 120.570 -0.089 0.000 2.648 174 I HA 0.204 4.374 4.170 0.000 0.000 0.284 174 I C 0.684 176.741 176.117 -0.099 0.000 1.153 174 I CA 0.080 61.266 61.300 -0.190 0.000 1.426 174 I CB 0.045 37.692 38.000 -0.589 0.000 1.381 174 I HN 0.425 nan 8.210 nan 0.000 0.571 175 K N 6.734 127.085 120.400 -0.081 0.000 2.395 175 K HA 0.577 4.897 4.320 0.000 0.000 0.247 175 K C -2.391 174.195 176.600 -0.023 0.000 0.973 175 K CA -1.678 54.597 56.287 -0.020 0.000 0.828 175 K CB 1.553 34.056 32.500 0.005 0.000 1.272 175 K HN 0.292 nan 8.250 nan 0.000 0.439 176 P HA 0.132 nan 4.420 nan 0.000 0.270 176 P C 0.285 177.594 177.300 0.016 0.000 1.223 176 P CA -0.169 62.930 63.100 -0.002 0.000 0.785 176 P CB 0.860 32.544 31.700 -0.026 0.000 0.923 177 K N 0.310 120.717 120.400 0.012 0.000 2.034 177 K HA -0.092 4.228 4.320 0.000 0.000 0.214 177 K C 0.833 177.464 176.600 0.052 0.000 1.051 177 K CA 1.302 57.612 56.287 0.038 0.000 0.931 177 K CB -0.341 32.168 32.500 0.014 0.000 0.715 177 K HN 0.404 nan 8.250 nan 0.000 0.446 178 L N -1.972 119.211 121.223 -0.067 0.000 2.309 178 L HA 0.403 4.743 4.340 0.000 0.000 0.261 178 L C 0.869 177.386 176.870 -0.589 0.000 1.021 178 L CA -0.276 54.388 54.840 -0.293 0.000 0.823 178 L CB 2.158 44.073 42.059 -0.241 0.000 1.366 178 L HN 0.501 nan 8.230 nan 0.000 0.423 179 G N 0.877 108.816 108.800 -1.435 0.000 2.259 179 G HA2 -0.194 3.766 3.960 0.000 0.000 0.217 179 G HA3 -0.194 3.766 3.960 0.000 0.000 0.217 179 G C -0.076 174.638 174.900 -0.310 0.000 1.001 179 G CA -0.498 44.062 45.100 -0.900 0.000 0.627 179 G HN 0.317 nan 8.290 nan 0.000 0.501 180 L N 2.338 123.537 121.223 -0.040 0.000 2.417 180 L HA 0.539 4.879 4.340 0.000 0.000 0.268 180 L C 1.525 178.588 176.870 0.322 0.000 1.158 180 L CA 0.063 55.014 54.840 0.186 0.000 0.819 180 L CB 1.311 43.553 42.059 0.305 0.000 1.112 180 L HN 0.498 nan 8.230 nan 0.000 0.458 181 S N 1.322 117.155 115.700 0.222 0.000 2.645 181 S HA 0.361 4.831 4.470 0.000 0.000 0.266 181 S C 0.958 175.655 174.600 0.161 0.000 1.258 181 S CA -0.195 58.114 58.200 0.181 0.000 0.990 181 S CB 1.537 64.788 63.200 0.084 0.000 0.967 181 S HN 0.690 nan 8.310 nan 0.000 0.556 182 A N 1.036 123.919 122.820 0.106 0.000 1.877 182 A HA -0.086 4.234 4.320 0.000 0.000 0.216 182 A C 2.164 179.700 177.584 -0.081 0.000 1.186 182 A CA 1.698 53.814 52.037 0.131 0.000 0.620 182 A CB -0.920 18.258 19.000 0.296 0.000 0.822 182 A HN 0.900 nan 8.150 nan 0.000 0.443 183 K N -0.330 119.786 120.400 -0.473 0.000 2.097 183 K HA -0.129 4.191 4.320 0.000 0.000 0.205 183 K C 1.718 178.159 176.600 -0.264 0.000 1.050 183 K CA 1.564 57.369 56.287 -0.803 0.000 0.938 183 K CB -0.269 31.749 32.500 -0.804 0.000 0.718 183 K HN 0.648 nan 8.250 nan 0.000 0.442 184 N N -0.779 117.869 118.700 -0.086 0.000 2.244 184 N HA -0.154 4.586 4.740 0.000 0.000 0.183 184 N C 1.537 177.088 175.510 0.067 0.000 1.016 184 N CA 0.681 53.733 53.050 0.002 0.000 0.866 184 N CB -0.063 38.445 38.487 0.034 0.000 0.980 184 N HN 0.157 nan 8.380 nan 0.000 0.430 185 Y N 1.215 121.512 120.300 -0.006 0.000 2.145 185 Y HA -0.118 4.433 4.550 0.000 0.000 0.286 185 Y C 2.491 178.397 175.900 0.010 0.000 1.145 185 Y CA 1.699 59.819 58.100 0.034 0.000 1.148 185 Y CB -0.659 37.849 38.460 0.080 0.000 0.981 185 Y HN 0.015 nan 8.280 nan 0.000 0.507 186 G N -0.449 108.455 108.800 0.173 0.000 2.418 186 G HA2 -0.312 3.648 3.960 0.000 0.000 0.217 186 G HA3 -0.312 3.648 3.960 0.000 0.000 0.217 186 G C 1.736 176.694 174.900 0.097 0.000 1.158 186 G CA 0.923 46.096 45.100 0.122 0.000 0.771 186 G HN 0.370 nan 8.290 nan 0.000 0.545 187 R N 0.702 121.237 120.500 0.059 0.000 2.080 187 R HA -0.029 4.311 4.340 0.000 0.000 0.236 187 R C 2.765 179.115 176.300 0.084 0.000 1.137 187 R CA 1.850 58.001 56.100 0.085 0.000 0.943 187 R CB -0.561 29.758 30.300 0.031 0.000 0.846 187 R HN 0.248 nan 8.270 nan 0.000 0.431 188 A N 0.468 123.295 122.820 0.011 0.000 1.902 188 A HA -0.092 4.229 4.320 0.000 0.000 0.217 188 A C 2.343 179.906 177.584 -0.035 0.000 1.181 188 A CA 1.635 53.650 52.037 -0.038 0.000 0.623 188 A CB -0.571 18.358 19.000 -0.118 0.000 0.818 188 A HN 0.260 nan 8.150 nan 0.000 0.443 189 V N -1.181 118.723 119.914 -0.017 0.000 2.343 189 V HA -0.274 3.846 4.120 0.000 0.000 0.247 189 V C 2.380 178.510 176.094 0.059 0.000 1.051 189 V CA 2.157 64.470 62.300 0.023 0.000 1.036 189 V CB -0.964 30.862 31.823 0.006 0.000 0.654 189 V HN 0.766 nan 8.190 nan 0.000 0.451 190 Y N 1.347 121.646 120.300 -0.002 0.000 2.163 190 Y HA -0.172 4.378 4.550 0.000 0.000 0.288 190 Y C 2.540 178.444 175.900 0.007 0.000 1.136 190 Y CA 1.800 59.906 58.100 0.010 0.000 1.147 190 Y CB -0.306 38.167 38.460 0.021 0.000 0.987 190 Y HN 0.251 nan 8.280 nan 0.000 0.509 191 E N -0.141 119.861 120.200 -0.330 0.000 2.077 191 E HA -0.220 4.130 4.350 0.000 0.000 0.193 191 E C 2.494 178.937 176.600 -0.261 0.000 0.989 191 E CA 1.467 57.636 56.400 -0.386 0.000 0.800 191 E CB -1.001 28.610 29.700 -0.149 0.000 0.746 191 E HN 0.552 nan 8.360 nan 0.000 0.452 192 C N 0.846 120.057 119.300 -0.148 0.000 2.413 192 C HA -0.119 4.342 4.460 0.000 0.000 0.278 192 C C 2.933 177.856 174.990 -0.110 0.000 1.224 192 C CA 0.531 59.488 59.018 -0.101 0.000 1.732 192 C CB -1.255 26.453 27.740 -0.053 0.000 2.050 192 C HN 0.367 nan 8.230 nan 0.000 0.463 193 L N 1.246 122.412 121.223 -0.095 0.000 2.042 193 L HA -0.190 4.150 4.340 0.000 0.000 0.210 193 L C 2.893 179.702 176.870 -0.102 0.000 1.076 193 L CA 2.001 56.799 54.840 -0.071 0.000 0.749 193 L CB -0.789 41.264 42.059 -0.009 0.000 0.893 193 L HN 0.493 nan 8.230 nan 0.000 0.432 194 R N 0.523 120.907 120.500 -0.192 0.000 2.241 194 R HA -0.081 4.259 4.340 0.000 0.000 0.224 194 R C 1.915 178.138 176.300 -0.127 0.000 1.101 194 R CA 1.294 57.289 56.100 -0.175 0.000 0.995 194 R CB -0.752 29.336 30.300 -0.354 0.000 0.870 194 R HN 0.284 nan 8.270 nan 0.000 0.463 195 G N -0.528 108.190 108.800 -0.136 0.000 2.712 195 G HA2 0.219 4.179 3.960 0.000 0.000 0.212 195 G HA3 0.219 4.179 3.960 0.000 0.000 0.212 195 G C 0.945 175.798 174.900 -0.077 0.000 1.142 195 G CA 0.329 45.368 45.100 -0.102 0.000 0.789 195 G HN 0.593 nan 8.290 nan 0.000 0.535 196 G N -0.893 107.864 108.800 -0.073 0.000 2.273 196 G HA2 -0.169 3.791 3.960 0.000 0.000 0.162 196 G HA3 -0.169 3.791 3.960 0.000 0.000 0.162 196 G C 0.293 175.149 174.900 -0.074 0.000 1.006 196 G CA -0.285 44.777 45.100 -0.063 0.000 0.704 196 G HN 0.324 nan 8.290 nan 0.000 0.487 197 L N 1.234 122.412 121.223 -0.076 0.000 2.436 197 L HA 0.362 4.703 4.340 0.000 0.000 0.265 197 L C 1.036 177.827 176.870 -0.132 0.000 1.168 197 L CA -0.538 54.256 54.840 -0.076 0.000 0.815 197 L CB 0.572 42.607 42.059 -0.041 0.000 1.109 197 L HN 0.003 nan 8.230 nan 0.000 0.462 198 D N 1.026 121.283 120.400 -0.238 0.000 2.240 198 D HA 0.078 4.718 4.640 0.000 0.000 0.206 198 D C -0.107 175.885 176.300 -0.514 0.000 0.963 198 D CA 1.335 55.047 54.000 -0.480 0.000 0.863 198 D CB 0.387 40.705 40.800 -0.803 0.000 0.973 198 D HN 0.136 nan 8.370 nan 0.000 0.501 199 F N -0.089 119.844 119.950 -0.028 0.000 2.620 199 F HA 0.387 4.914 4.527 0.000 0.000 0.320 199 F C 0.486 176.160 175.800 -0.210 0.000 1.069 199 F CA -1.087 56.850 58.000 -0.105 0.000 0.953 199 F CB 1.588 40.510 39.000 -0.129 0.000 1.322 199 F HN -0.363 nan 8.300 nan 0.000 0.479 200 T N -1.282 113.217 114.554 -0.091 0.000 2.887 200 T HA 0.848 5.198 4.350 0.000 0.000 0.292 200 T C -1.260 173.023 174.700 -0.694 0.000 1.087 200 T CA -1.068 60.916 62.100 -0.193 0.000 1.009 200 T CB 2.760 71.681 68.868 0.088 0.000 1.203 200 T HN 0.819 nan 8.240 nan 0.000 0.518 201 K N -0.173 119.841 120.400 -0.643 0.000 2.556 201 K HA 0.605 4.925 4.320 0.000 0.000 0.274 201 K C -1.892 174.561 176.600 -0.244 0.000 0.966 201 K CA -0.977 54.812 56.287 -0.829 0.000 0.865 201 K CB 1.351 33.304 32.500 -0.912 0.000 1.444 201 K HN 0.348 nan 8.250 nan 0.000 0.433 202 D N 1.561 121.922 120.400 -0.066 0.000 2.382 202 D HA 0.030 4.670 4.640 0.000 0.000 0.245 202 D C -0.574 175.809 176.300 0.140 0.000 1.120 202 D CA 0.292 54.453 54.000 0.268 0.000 0.890 202 D CB 0.801 41.734 40.800 0.221 0.000 1.201 202 D HN 0.458 nan 8.370 nan 0.000 0.433 203 D N 1.220 121.738 120.400 0.196 0.000 2.382 203 D HA -0.076 4.564 4.640 0.000 0.000 0.240 203 D C 1.376 177.674 176.300 -0.002 0.000 1.146 203 D CA -0.194 53.840 54.000 0.056 0.000 0.897 203 D CB 0.945 41.796 40.800 0.085 0.000 1.197 203 D HN 0.428 nan 8.370 nan 0.000 0.432 204 E N 2.778 122.878 120.200 -0.168 0.000 2.219 204 E HA -0.262 4.088 4.350 0.000 0.000 0.198 204 E C 0.690 177.256 176.600 -0.057 0.000 0.998 204 E CA 1.203 57.485 56.400 -0.196 0.000 0.818 204 E CB -0.391 28.988 29.700 -0.534 0.000 0.741 204 E HN 0.506 nan 8.360 nan 0.000 0.477 205 N N 0.815 119.507 118.700 -0.014 0.000 2.336 205 N HA 0.016 4.756 4.740 0.000 0.000 0.189 205 N C 0.101 175.672 175.510 0.102 0.000 1.113 205 N CA -0.093 52.980 53.050 0.038 0.000 0.858 205 N CB 0.175 38.685 38.487 0.038 0.000 0.970 205 N HN -0.055 nan 8.380 nan 0.000 0.471 206 V N 1.825 121.813 119.914 0.123 0.000 2.387 206 V HA 0.177 4.297 4.120 0.000 0.000 0.260 206 V C 0.233 176.397 176.094 0.116 0.000 1.054 206 V CA -0.116 62.282 62.300 0.163 0.000 0.967 206 V CB -0.382 31.547 31.823 0.177 0.000 1.036 206 V HN 0.319 nan 8.190 nan 0.000 0.481 207 N N 2.618 121.369 118.700 0.085 0.000 3.039 207 N HA 0.251 4.991 4.740 0.000 0.000 0.188 207 N C -0.207 175.343 175.510 0.066 0.000 1.310 207 N CA -0.358 52.730 53.050 0.064 0.000 1.111 207 N CB 0.595 39.093 38.487 0.019 0.000 1.311 207 N HN 0.495 nan 8.380 nan 0.000 0.490 208 S N 0.090 115.800 115.700 0.017 0.000 2.619 208 S HA 0.487 4.957 4.470 0.000 0.000 0.280 208 S C -1.768 172.759 174.600 -0.123 0.000 1.150 208 S CA -0.405 57.804 58.200 0.016 0.000 0.978 208 S CB 1.339 64.649 63.200 0.182 0.000 1.041 208 S HN 0.259 nan 8.310 nan 0.000 0.485 209 Q N 3.028 122.633 119.800 -0.325 0.000 2.565 209 Q HA 0.443 4.783 4.340 0.000 0.000 0.294 209 Q C -2.185 173.523 176.000 -0.487 0.000 1.005 209 Q CA -1.650 53.880 55.803 -0.454 0.000 0.771 209 Q CB 1.622 29.908 28.738 -0.753 0.000 1.486 209 Q HN 0.250 nan 8.270 nan 0.000 0.422 210 P HA -0.184 nan 4.420 nan 0.000 0.217 210 P C 0.513 177.738 177.300 -0.126 0.000 1.148 210 P CA 1.385 64.402 63.100 -0.138 0.000 0.828 210 P CB 0.065 31.758 31.700 -0.012 0.000 0.783 211 F N -2.633 117.331 119.950 0.023 0.000 2.558 211 F HA 0.307 4.834 4.527 0.000 0.000 0.298 211 F C 0.889 176.705 175.800 0.027 0.000 1.119 211 F CA 0.008 58.024 58.000 0.026 0.000 1.451 211 F CB -0.531 38.489 39.000 0.034 0.000 1.091 211 F HN -0.182 nan 8.300 nan 0.000 0.563 212 M N 1.246 120.593 119.600 -0.421 0.000 2.355 212 M HA 0.327 4.807 4.480 0.000 0.000 0.232 212 M C -1.562 174.592 176.300 -0.244 0.000 0.988 212 M CA -0.522 54.670 55.300 -0.179 0.000 0.931 212 M CB 1.053 33.659 32.600 0.009 0.000 2.294 212 M HN -0.193 nan 8.290 nan 0.000 0.459 213 R N 3.888 124.298 120.500 -0.150 0.000 2.459 213 R HA 0.277 4.617 4.340 0.000 0.000 0.281 213 R C 1.066 177.293 176.300 -0.121 0.000 1.050 213 R CA -0.209 55.798 56.100 -0.155 0.000 1.055 213 R CB 0.628 30.804 30.300 -0.207 0.000 1.045 213 R HN 0.969 nan 8.270 nan 0.000 0.495 214 W N 4.415 125.611 121.300 -0.173 0.000 2.338 214 W HA -0.187 4.473 4.660 0.000 0.000 0.304 214 W C 1.190 177.540 176.519 -0.283 0.000 1.212 214 W CA 0.799 58.017 57.345 -0.212 0.000 1.264 214 W CB -0.495 28.755 29.460 -0.350 0.000 1.142 214 W HN 0.586 nan 8.180 nan 0.000 0.512 215 R N 1.061 120.763 120.500 -1.329 0.000 2.081 215 R HA -0.160 4.180 4.340 0.000 0.000 0.235 215 R C 1.917 178.013 176.300 -0.340 0.000 1.131 215 R CA 2.203 57.598 56.100 -1.176 0.000 0.960 215 R CB -0.469 28.836 30.300 -1.658 0.000 0.856 215 R HN -0.015 nan 8.270 nan 0.000 0.436 216 D N -0.149 120.085 120.400 -0.276 0.000 2.123 216 D HA -0.206 4.434 4.640 0.000 0.000 0.196 216 D C 1.884 178.301 176.300 0.195 0.000 0.992 216 D CA 1.109 55.083 54.000 -0.043 0.000 0.833 216 D CB -0.194 40.632 40.800 0.043 0.000 0.954 216 D HN 0.287 nan 8.370 nan 0.000 0.455 217 R N -0.318 120.319 120.500 0.228 0.000 2.066 217 R HA -0.125 4.215 4.340 0.000 0.000 0.232 217 R C 2.259 178.819 176.300 0.433 0.000 1.131 217 R CA 0.863 57.158 56.100 0.325 0.000 0.955 217 R CB -0.318 30.112 30.300 0.216 0.000 0.851 217 R HN 0.008 nan 8.270 nan 0.000 0.432 218 F N 1.306 121.385 119.950 0.216 0.000 2.091 218 F HA -0.232 4.295 4.527 0.000 0.000 0.299 218 F C 2.276 178.164 175.800 0.147 0.000 1.103 218 F CA 1.208 59.354 58.000 0.243 0.000 1.228 218 F CB -0.938 38.341 39.000 0.466 0.000 0.984 218 F HN 0.088 nan 8.300 nan 0.000 0.477 219 L N -1.420 120.028 121.223 0.374 0.000 1.994 219 L HA -0.258 4.083 4.340 0.000 0.000 0.208 219 L C 2.382 179.263 176.870 0.017 0.000 1.071 219 L CA 1.539 56.459 54.840 0.133 0.000 0.745 219 L CB -0.518 41.529 42.059 -0.021 0.000 0.892 219 L HN -0.031 nan 8.230 nan 0.000 0.431 220 F N -0.857 119.166 119.950 0.122 0.000 2.186 220 F HA -0.190 4.338 4.527 0.000 0.000 0.299 220 F C 2.611 178.435 175.800 0.040 0.000 1.090 220 F CA 1.165 59.212 58.000 0.078 0.000 1.307 220 F CB -1.098 37.950 39.000 0.082 0.000 1.019 220 F HN 0.198 nan 8.300 nan 0.000 0.489 221 C N -0.340 119.073 119.300 0.187 0.000 2.435 221 C HA -0.074 4.386 4.460 0.000 0.000 0.279 221 C C 3.095 178.048 174.990 -0.062 0.000 1.321 221 C CA 0.925 59.925 59.018 -0.030 0.000 1.752 221 C CB -1.548 26.027 27.740 -0.275 0.000 1.959 221 C HN 0.496 nan 8.230 nan 0.000 0.500 222 A N 0.256 123.056 122.820 -0.034 0.000 1.898 222 A HA -0.213 4.108 4.320 0.000 0.000 0.216 222 A C 2.166 179.745 177.584 -0.008 0.000 1.181 222 A CA 1.780 53.740 52.037 -0.128 0.000 0.620 222 A CB -0.664 18.325 19.000 -0.018 0.000 0.819 222 A HN 0.699 nan 8.150 nan 0.000 0.442 223 E N 0.016 120.284 120.200 0.113 0.000 2.077 223 E HA -0.161 4.189 4.350 0.000 0.000 0.193 223 E C 2.147 178.818 176.600 0.117 0.000 0.989 223 E CA 1.130 57.625 56.400 0.158 0.000 0.800 223 E CB -0.256 29.532 29.700 0.147 0.000 0.746 223 E HN 0.520 nan 8.360 nan 0.000 0.452 224 A N 1.358 124.236 122.820 0.097 0.000 1.877 224 A HA -0.180 4.140 4.320 0.000 0.000 0.216 224 A C 2.244 179.908 177.584 0.134 0.000 1.186 224 A CA 1.753 53.859 52.037 0.115 0.000 0.620 224 A CB -0.832 18.251 19.000 0.138 0.000 0.822 224 A HN 0.414 nan 8.150 nan 0.000 0.443 225 L N -3.100 118.135 121.223 0.019 0.000 2.093 225 L HA -0.073 4.268 4.340 0.000 0.000 0.208 225 L C 2.205 179.080 176.870 0.008 0.000 1.085 225 L CA 1.857 56.686 54.840 -0.018 0.000 0.755 225 L CB -1.198 40.788 42.059 -0.121 0.000 0.904 225 L HN 0.267 nan 8.230 nan 0.000 0.435 226 Y N 0.616 120.962 120.300 0.077 0.000 2.352 226 Y HA -0.087 4.463 4.550 0.000 0.000 0.292 226 Y C 2.735 178.670 175.900 0.058 0.000 1.136 226 Y CA 1.375 59.508 58.100 0.055 0.000 1.227 226 Y CB -0.557 37.921 38.460 0.031 0.000 0.991 226 Y HN 0.345 nan 8.280 nan 0.000 0.545 227 K N 0.044 120.567 120.400 0.204 0.000 2.062 227 K HA -0.077 4.243 4.320 0.000 0.000 0.205 227 K C 2.266 179.008 176.600 0.237 0.000 1.051 227 K CA 0.991 57.353 56.287 0.125 0.000 0.941 227 K CB -0.163 32.284 32.500 -0.089 0.000 0.719 227 K HN 0.191 nan 8.250 nan 0.000 0.440 228 A N 1.127 124.147 122.820 0.333 0.000 1.930 228 A HA -0.205 4.115 4.320 0.000 0.000 0.217 228 A C 2.065 179.741 177.584 0.154 0.000 1.175 228 A CA 1.491 53.697 52.037 0.283 0.000 0.627 228 A CB -0.549 18.561 19.000 0.184 0.000 0.815 228 A HN 0.538 nan 8.150 nan 0.000 0.443 229 Q N -0.539 119.347 119.800 0.143 0.000 2.084 229 Q HA -0.107 4.233 4.340 0.000 0.000 0.202 229 Q C 2.126 178.189 176.000 0.104 0.000 0.978 229 Q CA 1.516 57.386 55.803 0.113 0.000 0.844 229 Q CB -0.315 28.510 28.738 0.146 0.000 0.898 229 Q HN 0.602 nan 8.270 nan 0.000 0.426 230 A N 0.532 123.424 122.820 0.120 0.000 1.968 230 A HA -0.195 4.125 4.320 0.000 0.000 0.217 230 A C 1.845 179.476 177.584 0.078 0.000 1.169 230 A CA 1.450 53.539 52.037 0.087 0.000 0.638 230 A CB -0.502 18.545 19.000 0.078 0.000 0.812 230 A HN 0.598 nan 8.150 nan 0.000 0.446 231 E N -0.268 119.995 120.200 0.104 0.000 2.072 231 E HA -0.150 4.200 4.350 0.000 0.000 0.190 231 E C 2.015 178.655 176.600 0.067 0.000 0.982 231 E CA 1.709 58.169 56.400 0.098 0.000 0.803 231 E CB -0.042 29.752 29.700 0.158 0.000 0.755 231 E HN 0.716 nan 8.360 nan 0.000 0.453 232 T N -3.869 110.720 114.554 0.059 0.000 3.044 232 T HA 0.233 4.584 4.350 0.000 0.000 0.255 232 T C 1.537 176.253 174.700 0.026 0.000 1.073 232 T CA 0.678 62.797 62.100 0.032 0.000 1.125 232 T CB 0.502 69.380 68.868 0.016 0.000 0.908 232 T HN 0.320 nan 8.240 nan 0.000 0.480 233 G N 1.090 109.910 108.800 0.033 0.000 2.141 233 G HA2 -0.182 3.778 3.960 0.000 0.000 0.242 233 G HA3 -0.182 3.778 3.960 0.000 0.000 0.242 233 G C -0.309 174.602 174.900 0.018 0.000 0.982 233 G CA 0.066 45.182 45.100 0.027 0.000 0.662 233 G HN 0.671 nan 8.290 nan 0.000 0.527 234 E N -0.420 119.788 120.200 0.013 0.000 2.238 234 E HA 0.569 4.919 4.350 0.000 0.000 0.267 234 E C 0.346 176.944 176.600 -0.003 0.000 0.887 234 E CA -1.090 55.305 56.400 -0.007 0.000 0.769 234 E CB 1.839 31.521 29.700 -0.031 0.000 1.187 234 E HN 0.289 nan 8.360 nan 0.000 0.416 235 I N 3.147 123.709 120.570 -0.012 0.000 2.710 235 I HA -0.015 4.155 4.170 0.000 0.000 0.286 235 I C 0.370 176.473 176.117 -0.024 0.000 1.181 235 I CA 0.504 61.807 61.300 0.005 0.000 1.430 235 I CB 0.071 38.072 38.000 0.003 0.000 1.367 235 I HN 0.182 nan 8.210 nan 0.000 0.577 236 K N 4.446 124.855 120.400 0.016 0.000 2.340 236 K HA 0.794 5.114 4.320 0.000 0.000 0.244 236 K C -0.282 176.369 176.600 0.085 0.000 0.973 236 K CA -0.728 55.566 56.287 0.011 0.000 0.828 236 K CB 2.251 34.765 32.500 0.023 0.000 1.226 236 K HN 0.789 nan 8.250 nan 0.000 0.437 237 G N 0.214 109.134 108.800 0.199 0.000 2.704 237 G HA2 0.384 4.344 3.960 0.000 0.000 0.293 237 G HA3 0.384 4.344 3.960 0.000 0.000 0.293 237 G C -1.911 173.174 174.900 0.309 0.000 1.421 237 G CA -0.288 44.990 45.100 0.296 0.000 0.870 237 G HN 0.553 nan 8.290 nan 0.000 0.492 238 H N 0.825 119.958 119.070 0.104 0.000 2.840 238 H HA 0.319 4.875 4.556 0.000 0.000 0.340 238 H C -1.078 174.280 175.328 0.050 0.000 1.004 238 H CA -0.573 55.483 56.048 0.012 0.000 1.288 238 H CB 1.273 31.022 29.762 -0.023 0.000 1.607 238 H HN 0.358 nan 8.280 nan 0.000 0.522 239 Y N 5.616 125.593 120.300 -0.538 0.000 2.697 239 Y HA 0.086 4.636 4.550 0.000 0.000 0.349 239 Y C 0.666 176.394 175.900 -0.286 0.000 1.120 239 Y CA -0.530 57.342 58.100 -0.379 0.000 1.468 239 Y CB -0.527 37.699 38.460 -0.390 0.000 1.182 239 Y HN 0.356 nan 8.280 nan 0.000 0.525 240 L N 4.063 125.248 121.223 -0.063 0.000 2.313 240 L HA 0.206 4.546 4.340 0.000 0.000 0.282 240 L C 0.693 177.522 176.870 -0.069 0.000 1.092 240 L CA -0.071 54.609 54.840 -0.267 0.000 0.831 240 L CB 0.460 41.957 42.059 -0.937 0.000 1.159 240 L HN 0.616 nan 8.230 nan 0.000 0.442 241 N N 1.997 120.768 118.700 0.119 0.000 2.420 241 N HA 0.203 4.943 4.740 0.000 0.000 0.262 241 N C 0.537 176.205 175.510 0.263 0.000 1.144 241 N CA -0.109 53.057 53.050 0.194 0.000 0.952 241 N CB 1.094 39.690 38.487 0.181 0.000 1.081 241 N HN 0.779 nan 8.380 nan 0.000 0.480 242 A N 2.778 125.703 122.820 0.175 0.000 2.308 242 A HA 0.092 4.412 4.320 0.000 0.000 0.217 242 A C 0.639 178.254 177.584 0.051 0.000 1.216 242 A CA -0.083 51.999 52.037 0.075 0.000 0.864 242 A CB 0.072 19.085 19.000 0.022 0.000 0.902 242 A HN 0.596 nan 8.150 nan 0.000 0.499 243 T N 1.747 116.393 114.554 0.153 0.000 2.908 243 T HA 0.446 4.796 4.350 0.000 0.000 0.301 243 T C 0.276 174.985 174.700 0.015 0.000 1.019 243 T CA 0.952 63.144 62.100 0.154 0.000 1.152 243 T CB 0.722 69.615 68.868 0.042 0.000 0.966 243 T HN 0.757 nan 8.240 nan 0.000 0.540 244 A N 2.287 125.109 122.820 0.004 0.000 2.529 244 A HA 0.807 5.127 4.320 0.000 0.000 0.296 244 A C 1.291 178.854 177.584 -0.035 0.000 1.205 244 A CA -0.256 51.745 52.037 -0.060 0.000 0.671 244 A CB 0.460 19.375 19.000 -0.141 0.000 1.301 244 A HN 0.759 nan 8.150 nan 0.000 0.450 245 G N -0.886 107.888 108.800 -0.045 0.000 2.464 245 G HA2 0.360 4.320 3.960 0.000 0.000 0.217 245 G HA3 0.360 4.320 3.960 0.000 0.000 0.217 245 G C 0.667 175.550 174.900 -0.028 0.000 1.138 245 G CA 1.779 46.861 45.100 -0.030 0.000 0.793 245 G HN 1.603 nan 8.290 nan 0.000 0.539 246 T N -4.189 110.340 114.554 -0.040 0.000 2.883 246 T HA 0.300 4.650 4.350 0.000 0.000 0.296 246 T C 0.925 175.592 174.700 -0.055 0.000 1.117 246 T CA -0.241 61.836 62.100 -0.039 0.000 1.006 246 T CB 1.397 70.243 68.868 -0.038 0.000 1.191 246 T HN -0.078 nan 8.240 nan 0.000 0.508 247 C N 0.583 119.852 119.300 -0.051 0.000 2.425 247 C HA -0.010 4.450 4.460 0.000 0.000 0.277 247 C C 2.623 177.557 174.990 -0.094 0.000 1.280 247 C CA 0.836 59.810 59.018 -0.073 0.000 1.744 247 C CB -1.369 26.336 27.740 -0.057 0.000 1.989 247 C HN 1.020 nan 8.230 nan 0.000 0.491 248 E N 1.428 121.583 120.200 -0.075 0.000 2.038 248 E HA -0.173 4.177 4.350 0.000 0.000 0.195 248 E C 1.675 178.212 176.600 -0.106 0.000 1.000 248 E CA 1.552 57.906 56.400 -0.077 0.000 0.803 248 E CB -0.328 29.342 29.700 -0.049 0.000 0.750 248 E HN 0.535 nan 8.360 nan 0.000 0.448 249 D N -0.205 120.129 120.400 -0.110 0.000 2.117 249 D HA -0.149 4.492 4.640 0.000 0.000 0.197 249 D C 1.837 177.982 176.300 -0.259 0.000 0.987 249 D CA 0.839 54.742 54.000 -0.162 0.000 0.829 249 D CB -0.222 40.493 40.800 -0.141 0.000 0.961 249 D HN 0.147 nan 8.370 nan 0.000 0.460 250 M N -0.365 119.111 119.600 -0.208 0.000 2.080 250 M HA -0.192 4.288 4.480 0.000 0.000 0.260 250 M C 1.734 177.872 176.300 -0.271 0.000 1.068 250 M CA 1.317 56.481 55.300 -0.226 0.000 1.109 250 M CB 0.024 32.521 32.600 -0.171 0.000 1.342 250 M HN -0.070 nan 8.290 nan 0.000 0.405 251 M N 0.317 119.765 119.600 -0.252 0.000 2.159 251 M HA -0.178 4.303 4.480 0.000 0.000 0.263 251 M C 1.908 178.046 176.300 -0.270 0.000 1.063 251 M CA 1.682 56.796 55.300 -0.310 0.000 1.110 251 M CB -1.122 31.326 32.600 -0.253 0.000 1.374 251 M HN 0.313 nan 8.290 nan 0.000 0.411 252 K N -0.203 120.074 120.400 -0.205 0.000 2.103 252 K HA -0.147 4.173 4.320 0.000 0.000 0.207 252 K C 2.116 178.629 176.600 -0.145 0.000 1.048 252 K CA 1.211 57.432 56.287 -0.110 0.000 0.930 252 K CB -0.120 32.351 32.500 -0.048 0.000 0.716 252 K HN 0.378 nan 8.250 nan 0.000 0.444 253 R N 0.271 120.493 120.500 -0.463 0.000 2.075 253 R HA -0.041 4.299 4.340 0.000 0.000 0.232 253 R C 2.431 178.776 176.300 0.075 0.000 1.126 253 R CA 1.114 56.900 56.100 -0.525 0.000 0.963 253 R CB -0.343 29.488 30.300 -0.782 0.000 0.858 253 R HN 0.156 nan 8.270 nan 0.000 0.435 254 A N 0.970 123.751 122.820 -0.065 0.000 1.902 254 A HA -0.118 4.203 4.320 0.000 0.000 0.217 254 A C 2.387 180.026 177.584 0.091 0.000 1.181 254 A CA 1.427 53.450 52.037 -0.023 0.000 0.623 254 A CB -0.598 18.198 19.000 -0.341 0.000 0.818 254 A HN 0.104 nan 8.150 nan 0.000 0.443 255 V N -1.224 118.686 119.914 -0.006 0.000 2.287 255 V HA -0.238 3.882 4.120 0.000 0.000 0.248 255 V C 2.296 178.586 176.094 0.326 0.000 1.053 255 V CA 2.166 64.570 62.300 0.174 0.000 1.027 255 V CB -0.941 30.946 31.823 0.107 0.000 0.646 255 V HN 0.604 nan 8.190 nan 0.000 0.447 256 F N 1.435 121.528 119.950 0.239 0.000 2.186 256 F HA -0.064 4.463 4.527 0.000 0.000 0.299 256 F C 2.278 178.292 175.800 0.357 0.000 1.090 256 F CA 0.920 59.112 58.000 0.321 0.000 1.307 256 F CB -0.778 38.498 39.000 0.460 0.000 1.019 256 F HN 0.081 nan 8.300 nan 0.000 0.489 257 A N 0.642 123.660 122.820 0.329 0.000 1.908 257 A HA -0.206 4.114 4.320 0.000 0.000 0.218 257 A C 2.481 180.103 177.584 0.063 0.000 1.181 257 A CA 1.540 53.656 52.037 0.131 0.000 0.627 257 A CB -0.774 18.315 19.000 0.148 0.000 0.818 257 A HN 0.304 nan 8.150 nan 0.000 0.445 258 R N -0.001 120.590 120.500 0.151 0.000 2.083 258 R HA -0.179 4.161 4.340 0.000 0.000 0.237 258 R C 2.140 178.489 176.300 0.082 0.000 1.137 258 R CA 1.999 58.182 56.100 0.138 0.000 0.951 258 R CB -0.578 29.861 30.300 0.231 0.000 0.851 258 R HN 0.793 nan 8.270 nan 0.000 0.434 259 E N 0.259 120.508 120.200 0.081 0.000 2.118 259 E HA -0.174 4.176 4.350 0.000 0.000 0.195 259 E C 1.961 178.542 176.600 -0.032 0.000 0.992 259 E CA 1.046 57.478 56.400 0.053 0.000 0.804 259 E CB -0.066 29.721 29.700 0.145 0.000 0.741 259 E HN 0.345 nan 8.360 nan 0.000 0.458 260 L N -0.564 120.573 121.223 -0.143 0.000 2.478 260 L HA 0.093 4.433 4.340 0.000 0.000 0.223 260 L C 1.611 178.530 176.870 0.081 0.000 1.140 260 L CA 0.508 55.291 54.840 -0.093 0.000 0.842 260 L CB -0.060 41.869 42.059 -0.217 0.000 0.953 260 L HN 0.426 nan 8.230 nan 0.000 0.452 261 G N 0.612 109.451 108.800 0.067 0.000 2.153 261 G HA2 -0.269 3.691 3.960 0.000 0.000 0.252 261 G HA3 -0.269 3.691 3.960 0.000 0.000 0.252 261 G C 0.413 175.404 174.900 0.151 0.000 0.994 261 G CA 0.313 45.479 45.100 0.109 0.000 0.698 261 G HN 0.280 nan 8.290 nan 0.000 0.521 262 V N -2.083 117.883 119.914 0.087 0.000 2.881 262 V HA 0.682 4.802 4.120 0.000 0.000 0.303 262 V C -0.034 176.073 176.094 0.022 0.000 1.070 262 V CA -0.816 61.495 62.300 0.019 0.000 1.074 262 V CB 1.226 33.002 31.823 -0.078 0.000 1.012 262 V HN 0.080 nan 8.190 nan 0.000 0.482 263 P HA 0.308 nan 4.420 nan 0.000 0.245 263 P C 0.039 177.319 177.300 -0.033 0.000 1.203 263 P CA 0.581 63.684 63.100 0.005 0.000 0.792 263 P CB 0.513 32.238 31.700 0.042 0.000 0.997 264 I N -0.092 120.459 120.570 -0.031 0.000 2.775 264 I HA 0.331 4.501 4.170 0.000 0.000 0.295 264 I C -1.148 174.919 176.117 -0.083 0.000 1.287 264 I CA -1.284 59.954 61.300 -0.102 0.000 1.029 264 I CB 2.505 40.388 38.000 -0.195 0.000 1.282 264 I HN -0.287 nan 8.210 nan 0.000 0.426 265 V N 4.365 124.218 119.914 -0.102 0.000 3.164 265 V HA 0.751 4.871 4.120 0.000 0.000 0.313 265 V C -0.548 175.510 176.094 -0.060 0.000 1.188 265 V CA -0.760 61.508 62.300 -0.054 0.000 1.058 265 V CB 1.879 33.705 31.823 0.005 0.000 1.110 265 V HN 0.922 nan 8.190 nan 0.000 0.453 266 M N 0.828 120.450 119.600 0.036 0.000 2.618 266 M HA 0.823 5.303 4.480 0.000 0.000 0.281 266 M C -1.355 175.054 176.300 0.182 0.000 1.267 266 M CA -0.480 54.881 55.300 0.101 0.000 0.845 266 M CB 2.333 35.064 32.600 0.218 0.000 1.732 266 M HN 1.035 nan 8.290 nan 0.000 0.461 267 H N -0.721 118.380 119.070 0.052 0.000 3.046 267 H HA 0.456 5.012 4.556 0.000 0.000 0.363 267 H C -2.071 173.306 175.328 0.083 0.000 1.203 267 H CA -0.414 55.660 56.048 0.042 0.000 1.169 267 H CB 2.176 31.940 29.762 0.003 0.000 1.851 267 H HN 0.817 nan 8.280 nan 0.000 0.546 268 D N 3.978 124.084 120.400 -0.490 0.000 2.456 268 D HA 0.004 4.644 4.640 0.000 0.000 0.219 268 D C 0.489 176.480 176.300 -0.515 0.000 1.126 268 D CA -0.117 53.704 54.000 -0.299 0.000 0.890 268 D CB 0.415 41.095 40.800 -0.199 0.000 1.025 268 D HN 0.613 nan 8.370 nan 0.000 0.511 269 Y N 2.066 122.112 120.300 -0.422 0.000 2.333 269 Y HA -0.077 4.473 4.550 0.000 0.000 0.290 269 Y C 1.383 176.995 175.900 -0.480 0.000 1.144 269 Y CA 0.869 58.737 58.100 -0.387 0.000 1.228 269 Y CB -0.315 37.984 38.460 -0.268 0.000 0.985 269 Y HN 0.275 nan 8.280 nan 0.000 0.542 270 L N 0.241 120.973 121.223 -0.819 0.000 2.168 270 L HA -0.036 4.304 4.340 0.000 0.000 0.203 270 L C 2.612 179.256 176.870 -0.378 0.000 1.078 270 L CA 1.394 55.801 54.840 -0.721 0.000 0.780 270 L CB -0.775 40.871 42.059 -0.687 0.000 0.939 270 L HN 0.375 nan 8.230 nan 0.000 0.451 271 T N -3.091 111.289 114.554 -0.289 0.000 2.942 271 T HA -0.022 4.328 4.350 0.000 0.000 0.265 271 T C 1.881 176.485 174.700 -0.161 0.000 1.062 271 T CA 0.881 62.871 62.100 -0.182 0.000 1.139 271 T CB -0.587 68.202 68.868 -0.132 0.000 0.883 271 T HN 0.329 nan 8.240 nan 0.000 0.468 272 G N 1.403 110.070 108.800 -0.222 0.000 2.395 272 G HA2 0.432 4.392 3.960 0.000 0.000 0.214 272 G HA3 0.432 4.392 3.960 0.000 0.000 0.214 272 G C 0.835 175.709 174.900 -0.044 0.000 1.177 272 G CA 0.230 45.262 45.100 -0.112 0.000 0.794 272 G HN 1.215 nan 8.290 nan 0.000 0.532 273 G N -1.994 106.726 108.800 -0.134 0.000 2.539 273 G HA2 0.003 3.963 3.960 0.000 0.000 0.686 273 G HA3 0.003 3.963 3.960 0.000 0.000 0.686 273 G C 0.085 174.931 174.900 -0.091 0.000 1.258 273 G CA -0.192 44.831 45.100 -0.127 0.000 0.846 273 G HN 0.060 nan 8.290 nan 0.000 0.647 274 F N 0.678 120.672 119.950 0.074 0.000 2.146 274 F HA 0.000 4.527 4.527 0.000 0.000 0.298 274 F C 3.140 178.960 175.800 0.034 0.000 1.096 274 F CA 2.326 60.367 58.000 0.069 0.000 1.275 274 F CB -0.629 38.377 39.000 0.010 0.000 1.008 274 F HN 0.560 nan 8.300 nan 0.000 0.480 275 T N -0.159 114.504 114.554 0.182 0.000 2.684 275 T HA -0.227 4.123 4.350 0.000 0.000 0.267 275 T C 2.275 176.993 174.700 0.029 0.000 1.036 275 T CA 1.553 63.705 62.100 0.087 0.000 1.148 275 T CB -0.692 68.214 68.868 0.064 0.000 0.863 275 T HN 0.289 nan 8.240 nan 0.000 0.436 276 A N 1.736 124.575 122.820 0.032 0.000 1.929 276 A HA -0.075 4.245 4.320 0.000 0.000 0.216 276 A C 2.270 179.797 177.584 -0.096 0.000 1.176 276 A CA 1.347 53.367 52.037 -0.028 0.000 0.628 276 A CB -0.708 18.301 19.000 0.015 0.000 0.816 276 A HN 0.523 nan 8.150 nan 0.000 0.444 277 N N -0.185 118.536 118.700 0.034 0.000 2.120 277 N HA -0.150 4.590 4.740 0.000 0.000 0.188 277 N C 1.586 177.060 175.510 -0.059 0.000 1.024 277 N CA 2.086 55.149 53.050 0.022 0.000 0.852 277 N CB -0.164 38.458 38.487 0.224 0.000 1.003 277 N HN 0.426 nan 8.380 nan 0.000 0.424 278 T N -0.178 114.349 114.554 -0.045 0.000 2.746 278 T HA -0.079 4.271 4.350 0.000 0.000 0.267 278 T C 1.865 176.295 174.700 -0.450 0.000 1.039 278 T CA 1.609 63.583 62.100 -0.211 0.000 1.142 278 T CB -0.651 68.138 68.868 -0.132 0.000 0.866 278 T HN 0.295 nan 8.240 nan 0.000 0.444 279 T N 2.222 116.616 114.554 -0.265 0.000 2.720 279 T HA -0.061 4.289 4.350 0.000 0.000 0.268 279 T C 1.862 176.482 174.700 -0.134 0.000 1.037 279 T CA 0.940 62.922 62.100 -0.196 0.000 1.144 279 T CB -0.441 68.359 68.868 -0.112 0.000 0.864 279 T HN 0.113 nan 8.240 nan 0.000 0.444 280 L N 0.893 122.015 121.223 -0.169 0.000 2.093 280 L HA 0.067 4.407 4.340 0.000 0.000 0.208 280 L C 2.614 179.478 176.870 -0.010 0.000 1.085 280 L CA 1.681 56.452 54.840 -0.116 0.000 0.755 280 L CB -0.985 40.898 42.059 -0.294 0.000 0.904 280 L HN 0.183 nan 8.230 nan 0.000 0.435 281 S N -1.381 114.280 115.700 -0.064 0.000 2.370 281 S HA -0.248 4.222 4.470 0.000 0.000 0.226 281 S C 2.082 176.764 174.600 0.136 0.000 1.033 281 S CA 1.449 59.654 58.200 0.008 0.000 1.011 281 S CB -0.397 62.793 63.200 -0.016 0.000 0.852 281 S HN 0.666 nan 8.310 nan 0.000 0.457 282 H N -0.663 118.417 119.070 0.015 0.000 2.326 282 H HA -0.010 4.546 4.556 0.000 0.000 0.301 282 H C 1.805 177.146 175.328 0.021 0.000 1.081 282 H CA 1.601 57.652 56.048 0.005 0.000 1.334 282 H CB -1.202 28.568 29.762 0.014 0.000 1.385 282 H HN 0.633 nan 8.280 nan 0.000 0.504 283 Y N 0.748 121.101 120.300 0.089 0.000 2.165 283 Y HA -0.274 4.276 4.550 0.000 0.000 0.286 283 Y C 2.505 178.432 175.900 0.044 0.000 1.155 283 Y CA 1.440 59.568 58.100 0.046 0.000 1.164 283 Y CB -0.614 37.852 38.460 0.009 0.000 0.978 283 Y HN 0.157 nan 8.280 nan 0.000 0.513 284 C N 0.051 119.426 119.300 0.126 0.000 2.425 284 C HA -0.125 4.335 4.460 0.000 0.000 0.277 284 C C 2.735 177.746 174.990 0.035 0.000 1.280 284 C CA 1.351 60.418 59.018 0.082 0.000 1.744 284 C CB -1.203 26.610 27.740 0.122 0.000 1.989 284 C HN 0.563 nan 8.230 nan 0.000 0.491 285 R N 1.885 122.364 120.500 -0.035 0.000 2.066 285 R HA -0.085 4.255 4.340 0.000 0.000 0.232 285 R C 1.517 177.763 176.300 -0.090 0.000 1.131 285 R CA 1.961 57.983 56.100 -0.131 0.000 0.955 285 R CB -0.969 29.253 30.300 -0.130 0.000 0.851 285 R HN 0.399 nan 8.270 nan 0.000 0.432 286 D N -0.131 120.195 120.400 -0.123 0.000 2.263 286 D HA -0.078 4.562 4.640 0.000 0.000 0.208 286 D C 0.396 176.573 176.300 -0.206 0.000 0.971 286 D CA 0.981 54.886 54.000 -0.160 0.000 0.867 286 D CB -0.032 40.657 40.800 -0.186 0.000 0.929 286 D HN 0.353 nan 8.370 nan 0.000 0.492 287 N N -0.762 117.780 118.700 -0.263 0.000 2.238 287 N HA 0.139 4.879 4.740 0.000 0.000 0.235 287 N C 0.710 176.180 175.510 -0.067 0.000 1.209 287 N CA 0.291 53.206 53.050 -0.225 0.000 0.879 287 N CB 1.751 39.967 38.487 -0.452 0.000 1.136 287 N HN 0.051 nan 8.380 nan 0.000 0.517 288 G N 1.602 110.425 108.800 0.039 0.000 2.249 288 G HA2 -0.274 3.686 3.960 0.000 0.000 0.273 288 G HA3 -0.274 3.686 3.960 0.000 0.000 0.273 288 G C -0.155 174.716 174.900 -0.048 0.000 1.036 288 G CA 0.226 45.368 45.100 0.072 0.000 0.824 288 G HN 0.263 nan 8.290 nan 0.000 0.504 289 L N -0.218 121.040 121.223 0.057 0.000 2.295 289 L HA 0.565 4.905 4.340 0.000 0.000 0.285 289 L C 1.023 177.899 176.870 0.011 0.000 1.035 289 L CA -1.073 53.770 54.840 0.005 0.000 0.806 289 L CB 1.413 43.512 42.059 0.068 0.000 1.214 289 L HN 0.051 nan 8.230 nan 0.000 0.426 290 L N 3.829 124.983 121.223 -0.115 0.000 2.397 290 L HA 0.202 4.542 4.340 0.000 0.000 0.271 290 L C -0.375 176.401 176.870 -0.157 0.000 1.148 290 L CA -0.276 54.488 54.840 -0.127 0.000 0.825 290 L CB 0.947 42.870 42.059 -0.225 0.000 1.117 290 L HN 0.381 nan 8.230 nan 0.000 0.456 291 L N 3.720 124.846 121.223 -0.160 0.000 2.295 291 L HA 0.319 4.659 4.340 0.000 0.000 0.281 291 L C -0.430 176.243 176.870 -0.327 0.000 1.018 291 L CA -0.235 54.496 54.840 -0.181 0.000 0.841 291 L CB 0.787 42.798 42.059 -0.079 0.000 1.218 291 L HN 0.455 nan 8.230 nan 0.000 0.424 292 H N 5.446 124.199 119.070 -0.527 0.000 2.620 292 H HA 0.509 5.065 4.556 0.000 0.000 0.313 292 H C -0.801 174.412 175.328 -0.191 0.000 1.075 292 H CA -0.480 55.223 56.048 -0.574 0.000 1.397 292 H CB 0.653 29.771 29.762 -1.072 0.000 1.446 292 H HN 0.503 nan 8.280 nan 0.000 0.493 293 I N 5.895 126.104 120.570 -0.602 0.000 2.354 293 I HA 0.129 4.299 4.170 0.000 0.000 0.292 293 I C 0.212 176.192 176.117 -0.228 0.000 0.989 293 I CA -0.373 60.745 61.300 -0.303 0.000 1.188 293 I CB 0.991 38.817 38.000 -0.289 0.000 1.342 293 I HN 0.742 nan 8.210 nan 0.000 0.457 294 H N 7.387 126.420 119.070 -0.062 0.000 2.479 294 H HA 0.380 4.936 4.556 0.000 0.000 0.335 294 H C 0.038 175.382 175.328 0.027 0.000 1.142 294 H CA -0.615 55.396 56.048 -0.063 0.000 1.234 294 H CB 1.676 31.373 29.762 -0.107 0.000 1.503 294 H HN 0.602 nan 8.280 nan 0.000 0.510 295 R N 2.867 122.951 120.500 -0.693 0.000 2.831 295 R HA 0.444 4.784 4.340 0.000 0.000 0.337 295 R C -0.192 175.935 176.300 -0.288 0.000 1.200 295 R CA -0.581 55.343 56.100 -0.294 0.000 1.088 295 R CB 0.014 30.201 30.300 -0.188 0.000 1.397 295 R HN 0.359 nan 8.270 nan 0.000 0.581 296 A N 1.555 124.243 122.820 -0.219 0.000 2.567 296 A HA 0.099 4.419 4.320 0.000 0.000 0.240 296 A C 0.953 178.500 177.584 -0.062 0.000 1.053 296 A CA 0.711 52.755 52.037 0.013 0.000 0.755 296 A CB -0.076 19.005 19.000 0.134 0.000 0.978 296 A HN 0.896 nan 8.150 nan 0.000 0.507 297 M N 0.497 120.066 119.600 -0.052 0.000 3.007 297 M HA -0.289 4.191 4.480 0.000 0.000 0.210 297 M C 0.987 177.214 176.300 -0.122 0.000 0.585 297 M CA 1.837 57.075 55.300 -0.103 0.000 0.804 297 M CB -2.072 30.459 32.600 -0.116 0.000 2.870 297 M HN 1.262 nan 8.290 nan 0.000 0.297 298 H N -0.683 118.291 119.070 -0.161 0.000 2.352 298 H HA 0.237 4.793 4.556 0.000 0.000 0.299 298 H C 1.743 177.008 175.328 -0.106 0.000 1.097 298 H CA 2.010 57.986 56.048 -0.120 0.000 1.311 298 H CB -0.556 29.149 29.762 -0.095 0.000 1.377 298 H HN 0.486 nan 8.280 nan 0.000 0.504 299 A N 1.120 123.328 122.820 -1.021 0.000 2.121 299 A HA -0.026 4.294 4.320 0.000 0.000 0.218 299 A C 2.446 179.855 177.584 -0.291 0.000 1.154 299 A CA 1.170 52.822 52.037 -0.642 0.000 0.679 299 A CB -0.743 17.878 19.000 -0.630 0.000 0.795 299 A HN 0.379 nan 8.150 nan 0.000 0.458 300 V N -0.490 119.286 119.914 -0.229 0.000 2.626 300 V HA -0.191 3.929 4.120 0.000 0.000 0.252 300 V C 2.170 178.207 176.094 -0.095 0.000 1.067 300 V CA 1.916 64.136 62.300 -0.133 0.000 1.081 300 V CB -0.421 31.336 31.823 -0.111 0.000 0.686 300 V HN 0.611 nan 8.190 nan 0.000 0.468 301 I N 0.516 121.023 120.570 -0.104 0.000 2.810 301 I HA -0.008 4.162 4.170 0.000 0.000 0.262 301 I C 1.732 177.820 176.117 -0.049 0.000 1.131 301 I CA 1.006 62.263 61.300 -0.072 0.000 1.453 301 I CB -0.066 37.886 38.000 -0.081 0.000 1.161 301 I HN 0.429 nan 8.210 nan 0.000 0.444 302 D N -0.144 120.223 120.400 -0.056 0.000 2.363 302 D HA -0.048 4.592 4.640 0.000 0.000 0.214 302 D C 1.807 178.072 176.300 -0.058 0.000 1.093 302 D CA 0.018 53.991 54.000 -0.044 0.000 0.837 302 D CB 0.006 40.807 40.800 0.002 0.000 0.948 302 D HN -0.023 nan 8.370 nan 0.000 0.507 303 R N 0.301 120.761 120.500 -0.066 0.000 2.062 303 R HA 0.012 4.353 4.340 0.000 0.000 0.229 303 R C 0.496 176.803 176.300 0.010 0.000 1.128 303 R CA 1.138 57.210 56.100 -0.048 0.000 0.960 303 R CB -0.155 30.101 30.300 -0.075 0.000 0.855 303 R HN 0.059 nan 8.270 nan 0.000 0.432 304 Q N 0.691 120.510 119.800 0.033 0.000 2.293 304 Q HA 0.035 4.375 4.340 0.000 0.000 0.251 304 Q C 0.249 176.307 176.000 0.096 0.000 0.930 304 Q CA 0.051 55.893 55.803 0.065 0.000 0.893 304 Q CB 1.554 30.336 28.738 0.073 0.000 1.215 304 Q HN 0.121 nan 8.270 nan 0.000 0.425 305 K N 2.558 123.018 120.400 0.100 0.000 2.211 305 K HA -0.148 4.172 4.320 0.000 0.000 0.203 305 K C 1.329 177.997 176.600 0.114 0.000 1.050 305 K CA 1.551 57.908 56.287 0.117 0.000 0.945 305 K CB 0.276 32.838 32.500 0.103 0.000 0.732 305 K HN 0.612 nan 8.250 nan 0.000 0.451 306 N N -0.959 117.810 118.700 0.115 0.000 2.395 306 N HA -0.117 4.623 4.740 0.000 0.000 0.175 306 N C -0.104 175.519 175.510 0.188 0.000 1.029 306 N CA 0.806 53.931 53.050 0.125 0.000 0.897 306 N CB -0.019 38.533 38.487 0.108 0.000 0.991 306 N HN 0.273 nan 8.380 nan 0.000 0.441 307 H N -1.310 117.820 119.070 0.099 0.000 2.894 307 H HA 0.576 5.132 4.556 0.000 0.000 0.367 307 H C 0.174 175.597 175.328 0.157 0.000 1.144 307 H CA 0.380 56.517 56.048 0.149 0.000 1.180 307 H CB 1.713 31.550 29.762 0.124 0.000 1.758 307 H HN 0.359 nan 8.280 nan 0.000 0.541 308 G N 2.213 110.965 108.800 -0.081 0.000 2.301 308 G HA2 -0.032 3.928 3.960 0.000 0.000 0.194 308 G HA3 -0.032 3.928 3.960 0.000 0.000 0.194 308 G C -1.426 173.481 174.900 0.012 0.000 1.266 308 G CA -0.344 44.744 45.100 -0.020 0.000 1.210 308 G HN 0.658 nan 8.290 nan 0.000 0.524 309 M N 0.785 120.360 119.600 -0.042 0.000 2.324 309 M HA 0.366 4.846 4.480 0.000 0.000 0.288 309 M C -0.357 175.950 176.300 0.012 0.000 1.097 309 M CA -0.793 54.481 55.300 -0.042 0.000 0.928 309 M CB 2.354 34.840 32.600 -0.191 0.000 1.648 309 M HN 0.773 nan 8.290 nan 0.000 0.460 310 H N 2.022 121.094 119.070 0.002 0.000 2.790 310 H HA 0.060 4.616 4.556 0.000 0.000 0.358 310 H C 0.155 175.525 175.328 0.070 0.000 1.103 310 H CA 0.771 56.857 56.048 0.064 0.000 1.426 310 H CB 0.850 30.652 29.762 0.067 0.000 1.424 310 H HN 0.776 nan 8.280 nan 0.000 0.599 311 F N 4.953 124.606 119.950 -0.494 0.000 2.202 311 F HA -0.203 4.325 4.527 0.000 0.000 0.301 311 F C 2.588 178.320 175.800 -0.113 0.000 1.082 311 F CA 1.690 59.520 58.000 -0.283 0.000 1.313 311 F CB -0.144 38.565 39.000 -0.485 0.000 1.024 311 F HN 0.688 nan 8.300 nan 0.000 0.495 312 R N -0.469 120.109 120.500 0.131 0.000 2.159 312 R HA -0.110 4.231 4.340 0.000 0.000 0.237 312 R C 1.735 178.002 176.300 -0.056 0.000 1.131 312 R CA 1.824 57.935 56.100 0.018 0.000 0.982 312 R CB -1.324 29.156 30.300 0.299 0.000 0.868 312 R HN 0.295 nan 8.270 nan 0.000 0.453 313 V N 1.683 121.595 119.914 -0.004 0.000 2.407 313 V HA -0.123 3.997 4.120 0.000 0.000 0.245 313 V C 2.392 178.515 176.094 0.047 0.000 1.041 313 V CA 1.323 63.635 62.300 0.021 0.000 1.040 313 V CB -0.302 31.519 31.823 -0.003 0.000 0.671 313 V HN 0.281 nan 8.190 nan 0.000 0.455 314 L N 0.063 121.258 121.223 -0.047 0.000 2.141 314 L HA -0.083 4.257 4.340 0.000 0.000 0.209 314 L C 2.658 179.474 176.870 -0.089 0.000 1.094 314 L CA 1.327 56.227 54.840 0.100 0.000 0.763 314 L CB -0.734 41.385 42.059 0.101 0.000 0.908 314 L HN 0.360 nan 8.230 nan 0.000 0.437 315 A N 0.179 122.649 122.820 -0.584 0.000 1.897 315 A HA -0.157 4.163 4.320 0.000 0.000 0.215 315 A C 2.345 179.811 177.584 -0.198 0.000 1.181 315 A CA 1.234 52.942 52.037 -0.547 0.000 0.620 315 A CB -0.223 18.319 19.000 -0.762 0.000 0.821 315 A HN 0.247 nan 8.150 nan 0.000 0.443 316 K N -0.219 120.145 120.400 -0.059 0.000 2.057 316 K HA -0.061 4.259 4.320 0.000 0.000 0.207 316 K C 2.298 178.910 176.600 0.020 0.000 1.049 316 K CA 1.073 57.434 56.287 0.123 0.000 0.931 316 K CB -0.308 32.308 32.500 0.193 0.000 0.714 316 K HN 0.431 nan 8.250 nan 0.000 0.440 317 A N 1.845 124.648 122.820 -0.029 0.000 1.902 317 A HA -0.158 4.162 4.320 0.000 0.000 0.217 317 A C 2.037 179.549 177.584 -0.121 0.000 1.181 317 A CA 1.080 52.997 52.037 -0.199 0.000 0.623 317 A CB -0.551 18.288 19.000 -0.268 0.000 0.818 317 A HN 0.251 nan 8.150 nan 0.000 0.443 318 L N -0.325 120.886 121.223 -0.019 0.000 2.093 318 L HA -0.111 4.229 4.340 0.000 0.000 0.208 318 L C 2.439 179.185 176.870 -0.207 0.000 1.085 318 L CA 2.294 57.029 54.840 -0.175 0.000 0.755 318 L CB -0.862 40.824 42.059 -0.623 0.000 0.904 318 L HN 0.549 nan 8.230 nan 0.000 0.435 319 R N -0.396 119.967 120.500 -0.228 0.000 2.096 319 R HA -0.163 4.177 4.340 0.000 0.000 0.235 319 R C 2.385 178.551 176.300 -0.223 0.000 1.127 319 R CA 1.343 57.269 56.100 -0.292 0.000 0.968 319 R CB -0.085 29.901 30.300 -0.522 0.000 0.861 319 R HN 0.408 nan 8.270 nan 0.000 0.440 320 L N -0.653 120.438 121.223 -0.221 0.000 2.007 320 L HA -0.137 4.203 4.340 0.000 0.000 0.205 320 L C 2.627 179.430 176.870 -0.111 0.000 1.073 320 L CA 1.488 56.112 54.840 -0.361 0.000 0.744 320 L CB -0.696 40.801 42.059 -0.937 0.000 0.898 320 L HN 0.253 nan 8.230 nan 0.000 0.435 321 S N -0.789 114.874 115.700 -0.062 0.000 2.365 321 S HA -0.043 4.427 4.470 0.000 0.000 0.225 321 S C 0.846 175.488 174.600 0.071 0.000 1.039 321 S CA 1.243 59.508 58.200 0.107 0.000 1.033 321 S CB -0.343 62.978 63.200 0.202 0.000 0.887 321 S HN 0.646 nan 8.310 nan 0.000 0.447 322 G N -1.694 107.098 108.800 -0.014 0.000 2.957 322 G HA2 0.435 4.395 3.960 0.000 0.000 0.636 322 G HA3 0.435 4.395 3.960 0.000 0.000 0.636 322 G C -0.344 174.504 174.900 -0.087 0.000 1.401 322 G CA -0.429 44.648 45.100 -0.039 0.000 0.941 322 G HN 1.099 nan 8.290 nan 0.000 0.610 323 G N 0.497 109.226 108.800 -0.119 0.000 2.691 323 G HA2 0.591 4.551 3.960 0.000 0.000 0.298 323 G HA3 0.591 4.551 3.960 0.000 0.000 0.298 323 G C -0.159 174.665 174.900 -0.126 0.000 1.471 323 G CA 0.191 45.205 45.100 -0.144 0.000 0.912 323 G HN 0.368 nan 8.290 nan 0.000 0.553 324 D N -0.280 120.047 120.400 -0.121 0.000 2.271 324 D HA 0.092 4.732 4.640 0.000 0.000 0.206 324 D C 0.424 176.771 176.300 0.078 0.000 0.967 324 D CA 1.076 55.044 54.000 -0.055 0.000 0.867 324 D CB 0.359 41.108 40.800 -0.084 0.000 0.960 324 D HN 0.581 nan 8.370 nan 0.000 0.509 325 H N -0.923 118.023 119.070 -0.207 0.000 2.865 325 H HA 0.620 5.176 4.556 0.000 0.000 0.372 325 H C -0.832 174.304 175.328 -0.320 0.000 1.173 325 H CA -0.858 55.052 56.048 -0.230 0.000 1.147 325 H CB 3.124 32.749 29.762 -0.229 0.000 1.805 325 H HN -0.160 nan 8.280 nan 0.000 0.553 326 I N 1.507 122.003 120.570 -0.122 0.000 2.644 326 I HA 0.129 4.299 4.170 0.000 0.000 0.291 326 I C -0.682 175.406 176.117 -0.049 0.000 1.180 326 I CA -0.545 60.677 61.300 -0.131 0.000 1.040 326 I CB 1.692 39.630 38.000 -0.104 0.000 1.255 326 I HN 0.675 nan 8.210 nan 0.000 0.422 327 H N 5.218 124.203 119.070 -0.142 0.000 2.964 327 H HA 0.086 4.642 4.556 0.000 0.000 0.328 327 H C 0.585 175.838 175.328 -0.125 0.000 1.030 327 H CA 0.911 56.890 56.048 -0.114 0.000 1.445 327 H CB 1.038 30.698 29.762 -0.170 0.000 1.449 327 H HN 0.668 nan 8.280 nan 0.000 0.581 328 S N 1.886 117.585 115.700 -0.001 0.000 2.666 328 S HA 0.319 4.789 4.470 0.000 0.000 0.239 328 S C 0.888 175.585 174.600 0.163 0.000 1.031 328 S CA 0.060 58.354 58.200 0.156 0.000 1.015 328 S CB 1.070 64.500 63.200 0.382 0.000 0.981 328 S HN 1.055 nan 8.310 nan 0.000 0.547 329 G N 1.237 110.053 108.800 0.027 0.000 2.663 329 G HA2 -0.047 3.913 3.960 0.000 0.000 0.686 329 G HA3 -0.047 3.913 3.960 0.000 0.000 0.686 329 G C 0.225 175.200 174.900 0.126 0.000 1.288 329 G CA 0.097 45.235 45.100 0.063 0.000 0.836 329 G HN 0.964 nan 8.290 nan 0.000 0.584 330 T N -3.059 111.545 114.554 0.084 0.000 2.959 330 T HA 0.481 4.831 4.350 0.000 0.000 0.254 330 T C 1.805 176.569 174.700 0.107 0.000 1.003 330 T CA 1.314 63.471 62.100 0.095 0.000 0.950 330 T CB 0.521 69.335 68.868 -0.090 0.000 1.090 330 T HN 2.270 nan 8.240 nan 0.000 0.503 331 V N 0.868 120.823 119.914 0.068 0.000 0.550 331 V HA -0.342 3.778 4.120 0.000 0.000 0.092 331 V C 2.096 178.203 176.094 0.023 0.000 2.065 331 V CA 2.127 64.445 62.300 0.031 0.000 3.496 331 V CB -1.886 29.920 31.823 -0.029 0.000 0.788 331 V HN 0.719 nan 8.190 nan 0.000 0.820 332 V N -0.650 119.257 119.914 -0.012 0.000 3.623 332 V HA 0.594 4.714 4.120 0.000 0.000 0.271 332 V C 1.272 177.311 176.094 -0.092 0.000 1.248 332 V CA 1.493 63.785 62.300 -0.015 0.000 1.156 332 V CB -0.354 31.469 31.823 0.000 0.000 0.870 332 V HN 0.952 nan 8.190 nan 0.000 0.453 333 G N 1.385 110.074 108.800 -0.185 0.000 2.531 333 G HA2 0.252 4.212 3.960 0.000 0.000 0.253 333 G HA3 0.252 4.212 3.960 0.000 0.000 0.253 333 G C 0.767 175.405 174.900 -0.436 0.000 1.439 333 G CA 0.020 44.922 45.100 -0.329 0.000 1.056 333 G HN 0.515 nan 8.290 nan 0.000 0.555 334 K N -1.243 118.646 120.400 -0.852 0.000 2.365 334 K HA 0.130 4.450 4.320 0.000 0.000 0.199 334 K C 0.372 176.802 176.600 -0.283 0.000 1.045 334 K CA 0.530 56.320 56.287 -0.828 0.000 0.962 334 K CB -0.258 31.697 32.500 -0.909 0.000 0.759 334 K HN 0.223 nan 8.250 nan 0.000 0.469 335 L N 1.603 122.709 121.223 -0.195 0.000 2.330 335 L HA 0.325 4.665 4.340 0.000 0.000 0.271 335 L C -0.060 176.787 176.870 -0.037 0.000 1.013 335 L CA -1.180 53.599 54.840 -0.101 0.000 0.816 335 L CB 1.745 43.758 42.059 -0.077 0.000 1.287 335 L HN 0.089 nan 8.230 nan 0.000 0.435 336 E N 0.815 121.005 120.200 -0.016 0.000 2.452 336 E HA 0.360 4.710 4.350 0.000 0.000 0.261 336 E C -0.239 176.397 176.600 0.060 0.000 0.987 336 E CA 0.205 56.623 56.400 0.030 0.000 0.926 336 E CB 0.638 30.352 29.700 0.023 0.000 0.934 336 E HN 0.761 nan 8.360 nan 0.000 0.452 337 G N 4.354 113.207 108.800 0.087 0.000 2.374 337 G HA2 0.008 3.968 3.960 0.000 0.000 0.298 337 G HA3 0.008 3.968 3.960 0.000 0.000 0.298 337 G C -1.119 173.840 174.900 0.099 0.000 2.674 337 G CA -0.744 44.430 45.100 0.123 0.000 0.775 337 G HN 0.402 nan 8.290 nan 0.000 0.437 338 E N 1.488 121.756 120.200 0.113 0.000 2.384 338 E HA 0.087 4.437 4.350 0.000 0.000 0.266 338 E C 1.408 178.017 176.600 0.015 0.000 1.012 338 E CA -0.415 56.028 56.400 0.072 0.000 0.901 338 E CB 1.938 31.694 29.700 0.093 0.000 0.967 338 E HN 0.674 nan 8.360 nan 0.000 0.435 339 R N 2.593 123.080 120.500 -0.023 0.000 2.083 339 R HA -0.194 4.146 4.340 0.000 0.000 0.237 339 R C 0.890 177.122 176.300 -0.113 0.000 1.137 339 R CA 1.899 57.945 56.100 -0.090 0.000 0.951 339 R CB 0.118 30.368 30.300 -0.082 0.000 0.851 339 R HN 0.390 nan 8.270 nan 0.000 0.434 340 D N 0.160 120.521 120.400 -0.064 0.000 2.117 340 D HA -0.108 4.532 4.640 0.000 0.000 0.198 340 D C 1.868 178.124 176.300 -0.073 0.000 0.982 340 D CA 1.125 55.086 54.000 -0.066 0.000 0.828 340 D CB -0.043 40.737 40.800 -0.034 0.000 0.967 340 D HN 0.291 nan 8.370 nan 0.000 0.464 341 I N 0.411 120.967 120.570 -0.023 0.000 2.252 341 I HA -0.242 3.928 4.170 0.000 0.000 0.245 341 I C 2.132 178.140 176.117 -0.182 0.000 1.102 341 I CA 1.023 62.344 61.300 0.036 0.000 1.385 341 I CB -0.198 37.931 38.000 0.215 0.000 1.064 341 I HN 0.013 nan 8.210 nan 0.000 0.414 342 T N 1.272 115.613 114.554 -0.354 0.000 2.708 342 T HA -0.126 4.224 4.350 0.000 0.000 0.266 342 T C 1.937 176.159 174.700 -0.798 0.000 1.037 342 T CA 1.193 62.736 62.100 -0.927 0.000 1.146 342 T CB -0.322 68.308 68.868 -0.397 0.000 0.865 342 T HN 0.234 nan 8.240 nan 0.000 0.435 343 L N 0.674 121.650 121.223 -0.412 0.000 2.127 343 L HA -0.049 4.291 4.340 0.000 0.000 0.211 343 L C 2.911 179.665 176.870 -0.193 0.000 1.089 343 L CA 1.252 55.928 54.840 -0.274 0.000 0.757 343 L CB -0.926 41.019 42.059 -0.190 0.000 0.899 343 L HN 0.363 nan 8.230 nan 0.000 0.434 344 G N 0.896 109.586 108.800 -0.182 0.000 2.414 344 G HA2 -0.297 3.663 3.960 0.000 0.000 0.215 344 G HA3 -0.297 3.663 3.960 0.000 0.000 0.215 344 G C 1.301 176.229 174.900 0.046 0.000 1.188 344 G CA 0.859 45.930 45.100 -0.048 0.000 0.783 344 G HN 0.467 nan 8.290 nan 0.000 0.537 345 F N 0.767 120.797 119.950 0.133 0.000 2.407 345 F HA 0.200 4.727 4.527 0.000 0.000 0.299 345 F C 2.145 178.026 175.800 0.135 0.000 1.097 345 F CA 0.040 58.131 58.000 0.151 0.000 1.422 345 F CB -0.872 38.255 39.000 0.211 0.000 1.067 345 F HN -0.007 nan 8.300 nan 0.000 0.539 346 V N 1.176 121.151 119.914 0.102 0.000 2.427 346 V HA -0.231 3.889 4.120 0.000 0.000 0.248 346 V C 2.026 178.192 176.094 0.121 0.000 1.051 346 V CA 2.223 64.622 62.300 0.164 0.000 1.048 346 V CB -0.663 31.215 31.823 0.092 0.000 0.666 346 V HN 0.240 nan 8.190 nan 0.000 0.456 347 D N -0.025 120.426 120.400 0.085 0.000 2.144 347 D HA -0.068 4.573 4.640 0.000 0.000 0.200 347 D C 2.092 178.469 176.300 0.129 0.000 0.978 347 D CA 0.993 55.045 54.000 0.086 0.000 0.833 347 D CB -0.173 40.666 40.800 0.065 0.000 0.961 347 D HN 0.323 nan 8.370 nan 0.000 0.470 348 L N 0.061 121.395 121.223 0.186 0.000 2.201 348 L HA -0.086 4.254 4.340 0.000 0.000 0.212 348 L C 2.278 179.226 176.870 0.129 0.000 1.105 348 L CA 0.487 55.495 54.840 0.281 0.000 0.775 348 L CB -0.117 42.132 42.059 0.317 0.000 0.913 348 L HN 0.060 nan 8.230 nan 0.000 0.440 349 L N -1.088 120.161 121.223 0.043 0.000 2.202 349 L HA -0.045 4.295 4.340 0.000 0.000 0.205 349 L C 2.609 179.366 176.870 -0.189 0.000 1.083 349 L CA 0.854 55.627 54.840 -0.112 0.000 0.790 349 L CB -0.138 41.933 42.059 0.019 0.000 0.942 349 L HN 0.156 nan 8.230 nan 0.000 0.452 350 R N -0.940 119.515 120.500 -0.074 0.000 2.206 350 R HA 0.083 4.423 4.340 0.000 0.000 0.198 350 R C -0.046 176.223 176.300 -0.052 0.000 0.986 350 R CA 0.085 56.148 56.100 -0.062 0.000 1.029 350 R CB 0.221 30.527 30.300 0.010 0.000 0.966 350 R HN 0.253 nan 8.270 nan 0.000 0.487 351 D N 0.104 120.502 120.400 -0.003 0.000 2.432 351 D HA 0.019 4.659 4.640 0.000 0.000 0.258 351 D C 0.156 176.542 176.300 0.143 0.000 1.146 351 D CA -0.143 53.903 54.000 0.077 0.000 1.015 351 D CB 0.965 41.843 40.800 0.130 0.000 1.107 351 D HN -0.135 nan 8.370 nan 0.000 0.529 352 D N -1.942 118.597 120.400 0.231 0.000 2.366 352 D HA -0.020 4.621 4.640 0.000 0.000 0.205 352 D C -0.860 175.717 176.300 0.460 0.000 1.022 352 D CA 0.147 54.354 54.000 0.345 0.000 0.868 352 D CB 0.338 41.275 40.800 0.228 0.000 0.953 352 D HN 0.262 nan 8.370 nan 0.000 0.514 353 Y N -0.381 120.057 120.300 0.230 0.000 2.442 353 Y HA 0.456 5.006 4.550 0.000 0.000 0.330 353 Y C -1.667 174.319 175.900 0.144 0.000 1.100 353 Y CA -0.756 57.435 58.100 0.152 0.000 1.034 353 Y CB 1.807 40.322 38.460 0.092 0.000 1.285 353 Y HN -0.281 nan 8.280 nan 0.000 0.440 354 T N 5.382 119.630 114.554 -0.510 0.000 3.011 354 T HA 0.244 4.594 4.350 0.000 0.000 0.303 354 T C -1.043 173.332 174.700 -0.543 0.000 0.997 354 T CA -0.753 61.142 62.100 -0.342 0.000 1.007 354 T CB 1.478 70.319 68.868 -0.046 0.000 1.017 354 T HN 0.650 nan 8.240 nan 0.000 0.443 355 E N 2.189 122.135 120.200 -0.425 0.000 2.366 355 E HA 0.211 4.562 4.350 0.000 0.000 0.266 355 E C 0.264 176.802 176.600 -0.103 0.000 1.051 355 E CA -0.674 55.578 56.400 -0.247 0.000 0.884 355 E CB 0.757 30.426 29.700 -0.052 0.000 1.006 355 E HN 0.447 nan 8.360 nan 0.000 0.417 356 K N 2.683 123.052 120.400 -0.052 0.000 2.550 356 K HA -0.131 4.189 4.320 0.000 0.000 0.280 356 K C -0.946 175.625 176.600 -0.049 0.000 0.987 356 K CA 0.625 56.894 56.287 -0.029 0.000 1.048 356 K CB 0.342 32.833 32.500 -0.014 0.000 0.879 356 K HN 0.388 nan 8.250 nan 0.000 0.491 357 D N 3.885 124.244 120.400 -0.068 0.000 2.445 357 D HA 0.144 4.785 4.640 0.000 0.000 0.236 357 D C 0.307 176.536 176.300 -0.118 0.000 1.315 357 D CA -0.491 53.465 54.000 -0.074 0.000 0.924 357 D CB 0.542 41.314 40.800 -0.046 0.000 1.447 357 D HN 0.525 nan 8.370 nan 0.000 0.532 358 R N 0.736 121.133 120.500 -0.173 0.000 2.200 358 R HA -0.094 4.246 4.340 0.000 0.000 0.234 358 R C 1.819 178.021 176.300 -0.164 0.000 1.127 358 R CA 1.261 57.207 56.100 -0.257 0.000 0.989 358 R CB -0.649 29.479 30.300 -0.287 0.000 0.869 358 R HN 0.510 nan 8.270 nan 0.000 0.459 359 S N 0.296 115.935 115.700 -0.101 0.000 2.474 359 S HA -0.065 4.406 4.470 0.000 0.000 0.235 359 S C 1.517 176.086 174.600 -0.053 0.000 0.997 359 S CA 0.651 58.812 58.200 -0.066 0.000 0.949 359 S CB -0.008 63.163 63.200 -0.047 0.000 0.766 359 S HN 0.303 nan 8.310 nan 0.000 0.517 360 R N 0.188 120.653 120.500 -0.057 0.000 2.509 360 R HA 0.336 4.676 4.340 0.000 0.000 0.300 360 R C 1.185 177.473 176.300 -0.020 0.000 0.985 360 R CA 0.288 56.367 56.100 -0.035 0.000 1.092 360 R CB 0.365 30.645 30.300 -0.034 0.000 1.237 360 R HN 0.506 nan 8.270 nan 0.000 0.546 361 G N 1.772 110.539 108.800 -0.055 0.000 2.148 361 G HA2 -0.274 3.686 3.960 0.000 0.000 0.254 361 G HA3 -0.274 3.686 3.960 0.000 0.000 0.254 361 G C 0.153 175.094 174.900 0.068 0.000 0.981 361 G CA -0.115 44.973 45.100 -0.020 0.000 0.670 361 G HN 0.294 nan 8.290 nan 0.000 0.528 362 I N 0.936 121.503 120.570 -0.004 0.000 2.281 362 I HA 0.303 4.473 4.170 0.000 0.000 0.293 362 I C 1.193 177.306 176.117 -0.007 0.000 1.085 362 I CA -0.899 60.444 61.300 0.070 0.000 1.257 362 I CB 0.394 38.417 38.000 0.038 0.000 1.430 362 I HN 0.051 nan 8.210 nan 0.000 0.489 363 Y N 5.202 125.418 120.300 -0.139 0.000 2.519 363 Y HA 0.169 4.719 4.550 0.000 0.000 0.287 363 Y C 0.212 175.799 175.900 -0.521 0.000 1.128 363 Y CA 0.307 58.194 58.100 -0.355 0.000 1.282 363 Y CB -0.110 38.003 38.460 -0.579 0.000 1.027 363 Y HN 0.305 nan 8.280 nan 0.000 0.551 364 F N -1.885 118.186 119.950 0.201 0.000 2.588 364 F HA 0.393 4.920 4.527 0.000 0.000 0.310 364 F C 0.149 175.953 175.800 0.006 0.000 1.082 364 F CA -1.681 56.385 58.000 0.109 0.000 0.929 364 F CB 1.119 40.184 39.000 0.107 0.000 1.254 364 F HN -0.505 nan 8.300 nan 0.000 0.455 365 T N 1.863 116.514 114.554 0.162 0.000 2.851 365 T HA 0.324 4.674 4.350 0.000 0.000 0.298 365 T C -0.553 174.111 174.700 -0.060 0.000 0.977 365 T CA -0.096 61.983 62.100 -0.034 0.000 1.126 365 T CB 0.749 69.601 68.868 -0.026 0.000 0.916 365 T HN 0.450 nan 8.240 nan 0.000 0.529 366 Q N 2.165 121.854 119.800 -0.184 0.000 2.340 366 Q HA 0.555 4.895 4.340 0.000 0.000 0.268 366 Q C -1.214 174.608 176.000 -0.295 0.000 1.031 366 Q CA -0.406 55.245 55.803 -0.254 0.000 0.804 366 Q CB 1.513 30.105 28.738 -0.243 0.000 1.286 366 Q HN 0.582 nan 8.270 nan 0.000 0.448 367 S N 3.062 118.585 115.700 -0.295 0.000 2.532 367 S HA 0.463 4.933 4.470 0.000 0.000 0.301 367 S C -0.754 173.641 174.600 -0.342 0.000 1.083 367 S CA -0.529 57.612 58.200 -0.099 0.000 1.025 367 S CB 0.603 63.856 63.200 0.088 0.000 1.056 367 S HN 0.824 nan 8.310 nan 0.000 0.494 368 W N 0.924 122.269 121.300 0.075 0.000 3.008 368 W HA 0.218 4.878 4.660 0.000 0.000 0.355 368 W C 0.615 177.155 176.519 0.035 0.000 1.095 368 W CA -0.459 56.907 57.345 0.036 0.000 1.738 368 W CB -0.068 29.406 29.460 0.024 0.000 1.091 368 W HN 0.608 nan 8.180 nan 0.000 0.574 369 V N -0.191 119.845 119.914 0.204 0.000 5.257 369 V HA -0.392 3.728 4.120 0.000 0.000 0.265 369 V C 0.673 176.849 176.094 0.137 0.000 0.646 369 V CA 0.758 63.141 62.300 0.137 0.000 0.650 369 V CB -2.555 29.323 31.823 0.091 0.000 0.424 369 V HN 0.476 nan 8.190 nan 0.000 0.862 370 S N -2.282 113.510 115.700 0.154 0.000 3.361 370 S HA -0.200 4.270 4.470 0.000 0.000 0.288 370 S C 0.656 175.310 174.600 0.091 0.000 1.269 370 S CA 1.266 59.531 58.200 0.109 0.000 0.976 370 S CB -1.788 61.455 63.200 0.072 0.000 1.162 370 S HN 1.519 nan 8.310 nan 0.000 0.643 371 T N 3.762 118.399 114.554 0.138 0.000 2.871 371 T HA 0.280 4.630 4.350 0.000 0.000 0.296 371 T C -1.838 172.840 174.700 -0.036 0.000 0.998 371 T CA -0.338 61.804 62.100 0.070 0.000 1.162 371 T CB 0.282 69.236 68.868 0.144 0.000 0.947 371 T HN 0.094 nan 8.240 nan 0.000 0.536 372 P HA 0.179 nan 4.420 nan 0.000 0.267 372 P C 0.352 177.558 177.300 -0.156 0.000 1.201 372 P CA -0.139 62.917 63.100 -0.073 0.000 0.775 372 P CB 0.386 32.052 31.700 -0.056 0.000 0.854 373 G N 0.847 109.573 108.800 -0.124 0.000 2.448 373 G HA2 0.460 4.420 3.960 0.000 0.000 0.285 373 G HA3 0.460 4.420 3.960 0.000 0.000 0.285 373 G C -0.803 174.022 174.900 -0.124 0.000 1.176 373 G CA -0.412 44.588 45.100 -0.167 0.000 0.852 373 G HN 0.346 nan 8.290 nan 0.000 0.530 374 V N 1.983 121.808 119.914 -0.148 0.000 2.472 374 V HA 0.262 4.382 4.120 0.000 0.000 0.290 374 V C -0.067 175.996 176.094 -0.052 0.000 1.037 374 V CA -0.898 61.343 62.300 -0.098 0.000 0.908 374 V CB 1.534 33.270 31.823 -0.145 0.000 0.985 374 V HN 0.534 nan 8.190 nan 0.000 0.454 375 L N 8.434 129.642 121.223 -0.025 0.000 2.313 375 L HA 0.439 4.779 4.340 0.000 0.000 0.282 375 L C -1.996 174.807 176.870 -0.113 0.000 1.092 375 L CA -1.726 53.073 54.840 -0.067 0.000 0.831 375 L CB 0.931 42.924 42.059 -0.110 0.000 1.159 375 L HN 0.454 nan 8.230 nan 0.000 0.442 376 P HA 0.132 nan 4.420 nan 0.000 0.279 376 P C -1.109 176.012 177.300 -0.298 0.000 1.239 376 P CA -0.243 62.794 63.100 -0.106 0.000 0.789 376 P CB 1.363 33.078 31.700 0.024 0.000 0.933 377 V N 2.940 122.670 119.914 -0.306 0.000 2.378 377 V HA 0.498 4.618 4.120 0.000 0.000 0.288 377 V C 0.507 176.320 176.094 -0.469 0.000 1.016 377 V CA -0.823 61.230 62.300 -0.411 0.000 0.840 377 V CB 1.162 32.756 31.823 -0.383 0.000 0.994 377 V HN 0.692 nan 8.190 nan 0.000 0.431 378 A N 3.888 126.377 122.820 -0.551 0.000 2.260 378 A HA 0.804 5.124 4.320 0.000 0.000 0.308 378 A C 0.081 177.437 177.584 -0.380 0.000 1.254 378 A CA -0.216 51.550 52.037 -0.453 0.000 0.874 378 A CB 0.909 19.582 19.000 -0.546 0.000 1.153 378 A HN 0.892 nan 8.150 nan 0.000 0.527 379 S N 1.750 117.298 115.700 -0.254 0.000 2.543 379 S HA 0.713 5.184 4.470 0.000 0.000 0.273 379 S C -0.533 173.997 174.600 -0.117 0.000 1.152 379 S CA 0.391 58.465 58.200 -0.209 0.000 0.910 379 S CB 1.169 64.320 63.200 -0.083 0.000 1.105 379 S HN 2.550 nan 8.310 nan 0.000 0.465 380 G N 1.913 110.609 108.800 -0.174 0.000 2.594 380 G HA2 0.455 4.415 3.960 0.000 0.000 0.422 380 G HA3 0.455 4.415 3.960 0.000 0.000 0.422 380 G C 0.808 175.539 174.900 -0.282 0.000 1.190 380 G CA 0.307 45.306 45.100 -0.168 0.000 1.234 380 G HN 2.139 nan 8.290 nan 0.000 0.584 381 G N 0.134 108.780 108.800 -0.256 0.000 2.198 381 G HA2 -0.008 3.952 3.960 0.000 0.000 0.257 381 G HA3 -0.008 3.952 3.960 0.000 0.000 0.257 381 G C 0.529 175.346 174.900 -0.139 0.000 1.042 381 G CA 0.906 45.811 45.100 -0.324 0.000 0.791 381 G HN 2.228 nan 8.290 nan 0.000 0.502 382 I N -2.279 118.222 120.570 -0.116 0.000 2.648 382 I HA 0.985 5.155 4.170 0.000 0.000 0.304 382 I C 0.100 176.415 176.117 0.330 0.000 1.009 382 I CA -1.443 59.840 61.300 -0.027 0.000 1.114 382 I CB 1.894 39.735 38.000 -0.266 0.000 1.293 382 I HN 0.344 nan 8.210 nan 0.000 0.449 383 H N 1.105 120.525 119.070 0.583 0.000 2.933 383 H HA 0.437 4.994 4.556 0.000 0.000 0.310 383 H C 0.662 176.112 175.328 0.204 0.000 1.351 383 H CA -0.437 55.746 56.048 0.225 0.000 1.137 383 H CB 0.661 30.276 29.762 -0.246 0.000 1.853 383 H HN 0.384 nan 8.280 nan 0.000 0.539 384 V N -2.670 117.315 119.914 0.118 0.000 2.313 384 V HA -0.316 3.805 4.120 0.000 0.000 0.253 384 V C 1.390 177.463 176.094 -0.035 0.000 1.070 384 V CA 2.087 64.334 62.300 -0.088 0.000 1.057 384 V CB -1.315 30.370 31.823 -0.229 0.000 0.653 384 V HN 0.815 nan 8.190 nan 0.000 0.450 385 W N 0.338 121.741 121.300 0.171 0.000 2.465 385 W HA 0.020 4.680 4.660 0.000 0.000 0.268 385 W C 2.486 178.956 176.519 -0.082 0.000 1.242 385 W CA 1.326 58.684 57.345 0.021 0.000 1.248 385 W CB -0.537 28.962 29.460 0.065 0.000 1.118 385 W HN 0.405 nan 8.180 nan 0.000 0.587 386 H N -1.310 117.825 119.070 0.108 0.000 2.548 386 H HA -0.036 4.520 4.556 0.000 0.000 0.268 386 H C 2.015 177.419 175.328 0.126 0.000 0.975 386 H CA 0.709 56.800 56.048 0.071 0.000 1.195 386 H CB -0.023 29.728 29.762 -0.019 0.000 1.397 386 H HN -0.035 nan 8.280 nan 0.000 0.572 387 M N 1.195 120.936 119.600 0.235 0.000 2.089 387 M HA -0.115 4.366 4.480 0.000 0.000 0.257 387 M C -1.001 175.392 176.300 0.156 0.000 1.071 387 M CA 1.819 57.230 55.300 0.185 0.000 1.096 387 M CB -0.540 32.102 32.600 0.069 0.000 1.330 387 M HN 0.116 nan 8.290 nan 0.000 0.403 388 P HA -0.053 nan 4.420 nan 0.000 0.216 388 P C 1.052 178.421 177.300 0.116 0.000 1.153 388 P CA 2.067 65.237 63.100 0.115 0.000 0.848 388 P CB -0.249 31.518 31.700 0.113 0.000 0.787 389 A N -0.742 122.159 122.820 0.136 0.000 1.930 389 A HA -0.135 4.185 4.320 0.000 0.000 0.217 389 A C 2.161 179.810 177.584 0.107 0.000 1.175 389 A CA 1.325 53.427 52.037 0.108 0.000 0.627 389 A CB -1.623 17.453 19.000 0.127 0.000 0.815 389 A HN 0.097 nan 8.150 nan 0.000 0.443 390 L N -0.761 120.565 121.223 0.171 0.000 2.056 390 L HA -0.147 4.193 4.340 0.000 0.000 0.207 390 L C 2.750 179.773 176.870 0.256 0.000 1.078 390 L CA 1.746 56.737 54.840 0.252 0.000 0.749 390 L CB -0.991 41.225 42.059 0.261 0.000 0.901 390 L HN 0.315 nan 8.230 nan 0.000 0.433 391 T N -1.077 113.585 114.554 0.180 0.000 2.788 391 T HA -0.226 4.124 4.350 0.000 0.000 0.268 391 T C 1.791 176.558 174.700 0.112 0.000 1.044 391 T CA 1.439 63.628 62.100 0.147 0.000 1.139 391 T CB -0.135 68.799 68.868 0.111 0.000 0.867 391 T HN 0.374 nan 8.240 nan 0.000 0.454 392 E N 0.527 120.774 120.200 0.077 0.000 2.158 392 E HA -0.029 4.322 4.350 0.000 0.000 0.191 392 E C 2.144 178.729 176.600 -0.025 0.000 0.982 392 E CA 0.552 56.971 56.400 0.032 0.000 0.823 392 E CB -0.082 29.634 29.700 0.027 0.000 0.766 392 E HN 0.494 nan 8.360 nan 0.000 0.468 393 I N -0.071 120.447 120.570 -0.087 0.000 2.193 393 I HA -0.223 3.947 4.170 0.000 0.000 0.240 393 I C 1.837 177.742 176.117 -0.354 0.000 1.084 393 I CA 1.121 62.237 61.300 -0.305 0.000 1.365 393 I CB -0.188 37.475 38.000 -0.563 0.000 1.064 393 I HN 0.065 nan 8.210 nan 0.000 0.410 394 F N 0.498 120.446 119.950 -0.004 0.000 2.530 394 F HA 0.327 4.854 4.527 0.000 0.000 0.292 394 F C 1.571 177.375 175.800 0.005 0.000 1.109 394 F CA 0.575 58.571 58.000 -0.006 0.000 1.450 394 F CB -0.747 38.247 39.000 -0.011 0.000 1.114 394 F HN 0.155 nan 8.300 nan 0.000 0.560 395 G N 0.725 109.635 108.800 0.183 0.000 2.741 395 G HA2 -0.272 3.688 3.960 0.000 0.000 0.222 395 G HA3 -0.272 3.688 3.960 0.000 0.000 0.222 395 G C 0.189 175.161 174.900 0.121 0.000 1.364 395 G CA -0.057 45.115 45.100 0.120 0.000 0.866 395 G HN 0.124 nan 8.290 nan 0.000 0.555 396 D N 0.471 120.925 120.400 0.089 0.000 2.123 396 D HA -0.033 4.607 4.640 0.000 0.000 0.196 396 D C 1.114 177.452 176.300 0.064 0.000 0.992 396 D CA 1.686 55.731 54.000 0.075 0.000 0.833 396 D CB -0.195 40.649 40.800 0.073 0.000 0.954 396 D HN 0.448 nan 8.370 nan 0.000 0.455 397 D N 0.641 121.082 120.400 0.068 0.000 2.608 397 D HA 0.165 4.806 4.640 0.000 0.000 0.224 397 D C 0.068 176.381 176.300 0.020 0.000 1.123 397 D CA 0.097 54.125 54.000 0.046 0.000 1.030 397 D CB -0.164 40.667 40.800 0.052 0.000 1.093 397 D HN 0.058 nan 8.370 nan 0.000 0.497 398 S N -1.394 114.290 115.700 -0.026 0.000 2.615 398 S HA 0.618 5.089 4.470 0.000 0.000 0.269 398 S C -1.008 173.499 174.600 -0.155 0.000 1.161 398 S CA -0.925 57.192 58.200 -0.138 0.000 0.817 398 S CB 1.729 64.816 63.200 -0.189 0.000 1.131 398 S HN -0.078 nan 8.310 nan 0.000 0.467 399 V N 1.653 121.419 119.914 -0.247 0.000 2.444 399 V HA 0.496 4.616 4.120 0.000 0.000 0.294 399 V C -0.827 175.138 176.094 -0.215 0.000 1.022 399 V CA -0.624 61.583 62.300 -0.155 0.000 0.850 399 V CB 1.195 32.923 31.823 -0.158 0.000 0.992 399 V HN 0.814 nan 8.190 nan 0.000 0.426 400 L N 5.138 126.288 121.223 -0.122 0.000 2.272 400 L HA 0.580 4.920 4.340 0.000 0.000 0.289 400 L C -0.127 176.596 176.870 -0.246 0.000 1.032 400 L CA -0.335 54.380 54.840 -0.209 0.000 0.810 400 L CB 1.218 43.281 42.059 0.007 0.000 1.205 400 L HN 0.621 nan 8.230 nan 0.000 0.422 401 Q N 3.584 123.090 119.800 -0.489 0.000 2.316 401 Q HA 0.535 4.875 4.340 0.000 0.000 0.264 401 Q C -1.467 174.126 176.000 -0.680 0.000 0.987 401 Q CA -0.474 55.102 55.803 -0.380 0.000 0.852 401 Q CB 2.424 31.033 28.738 -0.214 0.000 1.287 401 Q HN 0.410 nan 8.270 nan 0.000 0.448 402 F N 0.883 120.798 119.950 -0.058 0.000 2.552 402 F HA 0.346 4.873 4.527 0.000 0.000 0.369 402 F C 0.887 176.654 175.800 -0.054 0.000 1.112 402 F CA -0.709 57.253 58.000 -0.063 0.000 1.129 402 F CB 1.176 40.140 39.000 -0.060 0.000 1.360 402 F HN 0.752 nan 8.300 nan 0.000 0.473 403 G N 1.459 110.286 108.800 0.045 0.000 2.572 403 G HA2 0.026 3.986 3.960 0.000 0.000 0.214 403 G HA3 0.026 3.986 3.960 0.000 0.000 0.214 403 G C 1.769 176.704 174.900 0.059 0.000 1.246 403 G CA 0.672 45.791 45.100 0.030 0.000 0.835 403 G HN 0.734 nan 8.290 nan 0.000 0.551 404 G N 0.683 109.510 108.800 0.045 0.000 2.422 404 G HA2 0.071 4.031 3.960 0.000 0.000 0.218 404 G HA3 0.071 4.031 3.960 0.000 0.000 0.218 404 G C 1.698 176.642 174.900 0.074 0.000 1.146 404 G CA 1.314 46.461 45.100 0.078 0.000 0.769 404 G HN 0.677 nan 8.290 nan 0.000 0.547 405 G N -0.697 108.085 108.800 -0.031 0.000 2.625 405 G HA2 0.115 4.075 3.960 0.000 0.000 0.214 405 G HA3 0.115 4.075 3.960 0.000 0.000 0.214 405 G C 1.426 176.380 174.900 0.090 0.000 1.132 405 G CA 1.605 46.586 45.100 -0.198 0.000 0.782 405 G HN 0.423 nan 8.290 nan 0.000 0.538 406 T N 0.102 114.758 114.554 0.170 0.000 3.138 406 T HA 0.093 4.443 4.350 0.000 0.000 0.245 406 T C 1.798 176.613 174.700 0.192 0.000 0.982 406 T CA -0.141 62.057 62.100 0.163 0.000 1.134 406 T CB -0.012 68.908 68.868 0.087 0.000 1.032 406 T HN 0.047 nan 8.240 nan 0.000 0.442 407 L N 1.746 123.058 121.223 0.149 0.000 2.610 407 L HA 0.300 4.640 4.340 0.000 0.000 0.232 407 L C 2.125 179.111 176.870 0.192 0.000 1.149 407 L CA 0.731 55.650 54.840 0.131 0.000 0.872 407 L CB -0.352 41.746 42.059 0.066 0.000 0.992 407 L HN 0.367 nan 8.230 nan 0.000 0.447 408 G N -3.194 105.797 108.800 0.319 0.000 3.126 408 G HA2 -0.059 3.901 3.960 0.000 0.000 0.224 408 G HA3 -0.059 3.901 3.960 0.000 0.000 0.224 408 G C 0.547 175.637 174.900 0.317 0.000 1.142 408 G CA -0.283 45.055 45.100 0.396 0.000 0.759 408 G HN 0.299 nan 8.290 nan 0.000 0.550 409 H N 2.119 121.327 119.070 0.229 0.000 2.928 409 H HA 0.081 4.637 4.556 0.000 0.000 0.338 409 H C -1.041 174.251 175.328 -0.061 0.000 1.047 409 H CA -0.916 55.126 56.048 -0.010 0.000 1.435 409 H CB 2.062 31.838 29.762 0.022 0.000 1.428 409 H HN 0.029 nan 8.280 nan 0.000 0.590 410 P HA -0.115 nan 4.420 nan 0.000 0.225 410 P C 0.614 178.163 177.300 0.415 0.000 1.148 410 P CA 0.959 64.054 63.100 -0.009 0.000 0.779 410 P CB 0.119 31.717 31.700 -0.171 0.000 0.780 411 W N 0.529 122.014 121.300 0.309 0.000 3.220 411 W HA 0.501 5.161 4.660 0.000 0.000 0.328 411 W C 1.075 177.645 176.519 0.085 0.000 1.205 411 W CA 0.466 57.917 57.345 0.176 0.000 1.773 411 W CB -0.483 29.079 29.460 0.170 0.000 1.086 411 W HN 0.057 nan 8.180 nan 0.000 0.622 412 G N 0.673 109.655 108.800 0.304 0.000 2.462 412 G HA2 -0.264 3.696 3.960 0.000 0.000 0.685 412 G HA3 -0.264 3.696 3.960 0.000 0.000 0.685 412 G C 0.552 175.489 174.900 0.061 0.000 1.295 412 G CA -0.269 44.917 45.100 0.143 0.000 0.941 412 G HN -0.070 nan 8.290 nan 0.000 0.554 413 N N -0.028 118.683 118.700 0.018 0.000 2.106 413 N HA 0.005 4.745 4.740 0.000 0.000 0.188 413 N C 2.766 178.224 175.510 -0.087 0.000 1.029 413 N CA 2.569 55.603 53.050 -0.026 0.000 0.848 413 N CB -0.669 37.796 38.487 -0.037 0.000 1.007 413 N HN 1.095 nan 8.380 nan 0.000 0.423 414 A N 1.386 124.147 122.820 -0.099 0.000 1.883 414 A HA -0.069 4.251 4.320 0.000 0.000 0.217 414 A C -0.181 177.319 177.584 -0.140 0.000 1.186 414 A CA 1.487 53.449 52.037 -0.125 0.000 0.624 414 A CB -1.536 17.392 19.000 -0.121 0.000 0.822 414 A HN 0.238 nan 8.150 nan 0.000 0.444 415 P HA -0.020 nan 4.420 nan 0.000 0.219 415 P C 1.668 178.582 177.300 -0.644 0.000 1.150 415 P CA 1.474 64.398 63.100 -0.295 0.000 0.814 415 P CB -0.271 31.343 31.700 -0.143 0.000 0.787 416 G N 0.259 108.698 108.800 -0.601 0.000 2.422 416 G HA2 -0.243 3.717 3.960 0.000 0.000 0.218 416 G HA3 -0.243 3.717 3.960 0.000 0.000 0.218 416 G C 1.598 176.389 174.900 -0.182 0.000 1.146 416 G CA 0.900 45.779 45.100 -0.368 0.000 0.769 416 G HN 0.298 nan 8.290 nan 0.000 0.547 417 A N 0.096 122.821 122.820 -0.160 0.000 1.897 417 A HA 0.154 4.474 4.320 0.000 0.000 0.215 417 A C 2.578 180.080 177.584 -0.136 0.000 1.181 417 A CA 1.583 53.547 52.037 -0.121 0.000 0.620 417 A CB -0.581 18.359 19.000 -0.101 0.000 0.821 417 A HN 0.225 nan 8.150 nan 0.000 0.443 418 V N 0.085 119.912 119.914 -0.145 0.000 2.332 418 V HA -0.285 3.835 4.120 0.000 0.000 0.248 418 V C 3.054 179.065 176.094 -0.139 0.000 1.055 418 V CA 1.956 64.189 62.300 -0.113 0.000 1.038 418 V CB -1.233 30.536 31.823 -0.089 0.000 0.651 418 V HN 0.619 nan 8.190 nan 0.000 0.450 419 A N 0.478 123.186 122.820 -0.187 0.000 1.883 419 A HA -0.300 4.020 4.320 0.000 0.000 0.217 419 A C 2.032 179.484 177.584 -0.220 0.000 1.186 419 A CA 2.513 54.436 52.037 -0.190 0.000 0.624 419 A CB -0.873 18.059 19.000 -0.113 0.000 0.822 419 A HN 0.687 nan 8.150 nan 0.000 0.444 420 N N -1.205 117.342 118.700 -0.255 0.000 2.142 420 N HA -0.156 4.584 4.740 0.000 0.000 0.186 420 N C 1.951 177.318 175.510 -0.238 0.000 1.023 420 N CA 1.370 54.188 53.050 -0.386 0.000 0.852 420 N CB -0.152 38.003 38.487 -0.554 0.000 0.998 420 N HN 0.434 nan 8.380 nan 0.000 0.424 421 R N 1.127 121.537 120.500 -0.149 0.000 2.081 421 R HA -0.007 4.333 4.340 0.000 0.000 0.235 421 R C 1.711 177.985 176.300 -0.043 0.000 1.131 421 R CA 1.080 57.133 56.100 -0.077 0.000 0.960 421 R CB -0.753 29.514 30.300 -0.055 0.000 0.856 421 R HN 0.030 nan 8.270 nan 0.000 0.436 422 V N 0.825 120.708 119.914 -0.052 0.000 2.358 422 V HA -0.185 3.935 4.120 0.000 0.000 0.246 422 V C 2.354 178.420 176.094 -0.047 0.000 1.047 422 V CA 1.886 64.186 62.300 -0.000 0.000 1.035 422 V CB -0.934 30.833 31.823 -0.094 0.000 0.658 422 V HN 0.544 nan 8.190 nan 0.000 0.452 423 A N -0.155 122.581 122.820 -0.140 0.000 1.883 423 A HA -0.229 4.091 4.320 0.000 0.000 0.217 423 A C 2.178 179.727 177.584 -0.059 0.000 1.186 423 A CA 2.251 54.201 52.037 -0.145 0.000 0.624 423 A CB -0.638 18.231 19.000 -0.219 0.000 0.822 423 A HN 0.452 nan 8.150 nan 0.000 0.444 424 L N 0.119 121.314 121.223 -0.047 0.000 2.017 424 L HA -0.166 4.174 4.340 0.000 0.000 0.208 424 L C 2.244 179.134 176.870 0.034 0.000 1.073 424 L CA 2.502 57.347 54.840 0.009 0.000 0.745 424 L CB -0.669 41.400 42.059 0.016 0.000 0.894 424 L HN 0.527 nan 8.230 nan 0.000 0.432 425 E N -0.534 119.690 120.200 0.041 0.000 2.150 425 E HA -0.189 4.161 4.350 0.000 0.000 0.193 425 E C 2.132 178.783 176.600 0.085 0.000 0.985 425 E CA 0.947 57.384 56.400 0.063 0.000 0.814 425 E CB -0.265 29.478 29.700 0.072 0.000 0.752 425 E HN 0.666 nan 8.360 nan 0.000 0.466 426 A N 0.899 123.780 122.820 0.103 0.000 1.902 426 A HA -0.193 4.127 4.320 0.000 0.000 0.217 426 A C 2.427 180.060 177.584 0.080 0.000 1.181 426 A CA 1.190 53.302 52.037 0.125 0.000 0.623 426 A CB -0.808 18.256 19.000 0.106 0.000 0.818 426 A HN 0.345 nan 8.150 nan 0.000 0.443 427 C N -1.430 117.904 119.300 0.058 0.000 2.440 427 C HA -0.018 4.443 4.460 0.000 0.000 0.278 427 C C 2.743 177.769 174.990 0.060 0.000 1.295 427 C CA 0.901 59.954 59.018 0.058 0.000 1.738 427 C CB -1.168 26.608 27.740 0.059 0.000 1.987 427 C HN 0.452 nan 8.230 nan 0.000 0.492 428 V N 0.561 120.510 119.914 0.059 0.000 2.307 428 V HA -0.274 3.846 4.120 0.000 0.000 0.245 428 V C 2.538 178.663 176.094 0.050 0.000 1.045 428 V CA 2.202 64.534 62.300 0.055 0.000 1.024 428 V CB -0.846 31.008 31.823 0.052 0.000 0.651 428 V HN 0.621 nan 8.190 nan 0.000 0.449 429 Q N -0.146 119.685 119.800 0.053 0.000 2.061 429 Q HA -0.236 4.104 4.340 0.000 0.000 0.204 429 Q C 2.263 178.290 176.000 0.045 0.000 0.984 429 Q CA 2.172 58.002 55.803 0.045 0.000 0.846 429 Q CB -0.303 28.463 28.738 0.048 0.000 0.902 429 Q HN 0.623 nan 8.270 nan 0.000 0.421 430 A N 1.492 124.345 122.820 0.054 0.000 1.865 430 A HA -0.253 4.067 4.320 0.000 0.000 0.217 430 A C 2.157 179.767 177.584 0.044 0.000 1.191 430 A CA 1.720 53.788 52.037 0.051 0.000 0.623 430 A CB -0.833 18.202 19.000 0.058 0.000 0.826 430 A HN 0.488 nan 8.150 nan 0.000 0.444 431 R N 0.108 120.635 120.500 0.046 0.000 2.083 431 R HA -0.179 4.161 4.340 0.000 0.000 0.237 431 R C 1.873 178.195 176.300 0.036 0.000 1.137 431 R CA 2.017 58.142 56.100 0.042 0.000 0.951 431 R CB -0.609 29.718 30.300 0.046 0.000 0.851 431 R HN 0.739 nan 8.270 nan 0.000 0.434 432 N N 0.034 118.755 118.700 0.036 0.000 2.223 432 N HA -0.153 4.587 4.740 0.000 0.000 0.185 432 N C 1.053 176.579 175.510 0.026 0.000 1.016 432 N CA 1.093 54.161 53.050 0.030 0.000 0.863 432 N CB 0.003 38.507 38.487 0.029 0.000 0.983 432 N HN 0.438 nan 8.380 nan 0.000 0.429 433 E N -0.393 119.824 120.200 0.027 0.000 2.502 433 E HA 0.036 4.387 4.350 0.000 0.000 0.194 433 E C 0.952 177.566 176.600 0.024 0.000 1.062 433 E CA 0.099 56.513 56.400 0.024 0.000 0.867 433 E CB 0.300 30.015 29.700 0.025 0.000 0.888 433 E HN 0.471 nan 8.360 nan 0.000 0.510 434 G N 1.655 110.470 108.800 0.025 0.000 2.179 434 G HA2 -0.245 3.715 3.960 0.000 0.000 0.220 434 G HA3 -0.245 3.715 3.960 0.000 0.000 0.220 434 G C 0.244 175.160 174.900 0.026 0.000 0.990 434 G CA -0.396 44.718 45.100 0.024 0.000 0.646 434 G HN 0.079 nan 8.290 nan 0.000 0.517 435 R N 0.726 121.245 120.500 0.031 0.000 2.641 435 R HA 0.306 4.646 4.340 0.000 0.000 0.269 435 R C -0.635 175.686 176.300 0.034 0.000 1.074 435 R CA -0.324 55.796 56.100 0.034 0.000 1.133 435 R CB 0.557 30.881 30.300 0.040 0.000 1.029 435 R HN 0.227 nan 8.270 nan 0.000 0.488 436 D N 2.921 123.341 120.400 0.034 0.000 2.380 436 D HA 0.048 4.689 4.640 0.000 0.000 0.230 436 D C 1.249 177.573 176.300 0.040 0.000 1.154 436 D CA -0.119 53.901 54.000 0.033 0.000 0.859 436 D CB 0.825 41.642 40.800 0.028 0.000 1.045 436 D HN 0.410 nan 8.370 nan 0.000 0.495 437 L N 3.250 124.499 121.223 0.043 0.000 2.079 437 L HA -0.217 4.123 4.340 0.000 0.000 0.210 437 L C 2.469 179.372 176.870 0.054 0.000 1.081 437 L CA 1.397 56.269 54.840 0.053 0.000 0.752 437 L CB -0.333 41.759 42.059 0.055 0.000 0.896 437 L HN 0.435 nan 8.230 nan 0.000 0.433 438 A N 0.002 122.847 122.820 0.042 0.000 1.877 438 A HA -0.163 4.157 4.320 0.000 0.000 0.216 438 A C 2.412 180.020 177.584 0.041 0.000 1.186 438 A CA 1.323 53.384 52.037 0.040 0.000 0.620 438 A CB -0.331 18.684 19.000 0.026 0.000 0.822 438 A HN 0.319 nan 8.150 nan 0.000 0.443 439 R N -0.372 120.150 120.500 0.036 0.000 2.100 439 R HA 0.009 4.349 4.340 0.000 0.000 0.220 439 R C 1.194 177.519 176.300 0.043 0.000 1.091 439 R CA 1.258 57.378 56.100 0.034 0.000 0.986 439 R CB -0.223 30.093 30.300 0.027 0.000 0.888 439 R HN 0.657 nan 8.270 nan 0.000 0.444 440 E N 0.193 120.422 120.200 0.049 0.000 2.474 440 E HA 0.086 4.436 4.350 0.000 0.000 0.195 440 E C 1.664 178.311 176.600 0.077 0.000 1.039 440 E CA 0.084 56.519 56.400 0.058 0.000 0.881 440 E CB 0.398 30.129 29.700 0.052 0.000 0.970 440 E HN 0.345 nan 8.360 nan 0.000 0.486 441 G N 2.595 111.446 108.800 0.086 0.000 2.553 441 G HA2 -0.377 3.583 3.960 0.000 0.000 0.218 441 G HA3 -0.377 3.583 3.960 0.000 0.000 0.218 441 G C 1.327 176.323 174.900 0.160 0.000 1.195 441 G CA 1.291 46.459 45.100 0.114 0.000 0.779 441 G HN 0.266 nan 8.290 nan 0.000 0.577 442 N N -0.319 118.494 118.700 0.189 0.000 2.223 442 N HA -0.082 4.658 4.740 0.000 0.000 0.185 442 N C 2.200 177.859 175.510 0.248 0.000 1.016 442 N CA 1.386 54.618 53.050 0.303 0.000 0.863 442 N CB -0.112 38.486 38.487 0.185 0.000 0.983 442 N HN 0.291 nan 8.380 nan 0.000 0.429 443 T N 0.928 115.568 114.554 0.143 0.000 2.857 443 T HA 0.038 4.388 4.350 0.000 0.000 0.266 443 T C 1.960 176.712 174.700 0.088 0.000 1.048 443 T CA 0.564 62.728 62.100 0.107 0.000 1.139 443 T CB -0.051 68.863 68.868 0.077 0.000 0.874 443 T HN 0.160 nan 8.240 nan 0.000 0.455 444 I N 0.914 121.533 120.570 0.082 0.000 2.179 444 I HA -0.143 4.027 4.170 0.000 0.000 0.242 444 I C 2.185 178.312 176.117 0.017 0.000 1.088 444 I CA 0.927 62.263 61.300 0.061 0.000 1.357 444 I CB -0.328 37.709 38.000 0.063 0.000 1.051 444 I HN 0.162 nan 8.210 nan 0.000 0.409 445 I N 0.452 121.018 120.570 -0.007 0.000 2.142 445 I HA -0.271 3.900 4.170 0.000 0.000 0.240 445 I C 2.672 178.671 176.117 -0.197 0.000 1.078 445 I CA 1.493 62.692 61.300 -0.168 0.000 1.343 445 I CB -1.283 36.542 38.000 -0.292 0.000 1.046 445 I HN 0.215 nan 8.210 nan 0.000 0.405 446 R N 1.371 121.853 120.500 -0.030 0.000 2.091 446 R HA -0.183 4.158 4.340 0.000 0.000 0.238 446 R C 2.154 178.433 176.300 -0.035 0.000 1.136 446 R CA 1.563 57.673 56.100 0.018 0.000 0.959 446 R CB -0.391 29.994 30.300 0.143 0.000 0.856 446 R HN 0.446 nan 8.270 nan 0.000 0.437 447 E N -0.761 119.436 120.200 -0.004 0.000 2.077 447 E HA -0.173 4.177 4.350 0.000 0.000 0.193 447 E C 1.913 178.475 176.600 -0.065 0.000 0.989 447 E CA 1.290 57.705 56.400 0.025 0.000 0.800 447 E CB -0.221 29.534 29.700 0.092 0.000 0.746 447 E HN 0.458 nan 8.360 nan 0.000 0.452 448 A N 1.302 124.005 122.820 -0.194 0.000 1.933 448 A HA -0.200 4.120 4.320 0.000 0.000 0.218 448 A C 2.452 179.485 177.584 -0.917 0.000 1.175 448 A CA 2.052 53.699 52.037 -0.652 0.000 0.628 448 A CB -1.168 17.542 19.000 -0.485 0.000 0.814 448 A HN 0.419 nan 8.150 nan 0.000 0.444 449 T N -2.098 112.154 114.554 -0.504 0.000 2.897 449 T HA -0.137 4.213 4.350 0.000 0.000 0.271 449 T C 1.629 176.151 174.700 -0.296 0.000 1.084 449 T CA 1.435 63.299 62.100 -0.394 0.000 1.123 449 T CB -0.262 68.458 68.868 -0.247 0.000 0.865 449 T HN 0.347 nan 8.240 nan 0.000 0.496 450 K N 0.838 121.098 120.400 -0.234 0.000 2.211 450 K HA -0.010 4.310 4.320 0.000 0.000 0.203 450 K C 1.923 178.536 176.600 0.021 0.000 1.050 450 K CA 1.212 57.464 56.287 -0.058 0.000 0.945 450 K CB -0.284 32.243 32.500 0.046 0.000 0.732 450 K HN 0.882 nan 8.250 nan 0.000 0.451 451 W N -0.615 120.682 121.300 -0.005 0.000 2.870 451 W HA 0.363 5.023 4.660 0.000 0.000 0.358 451 W C -0.036 176.484 176.519 0.001 0.000 1.043 451 W CA -0.467 56.879 57.345 0.001 0.000 1.692 451 W CB 0.040 29.499 29.460 -0.001 0.000 1.100 451 W HN -0.157 nan 8.180 nan 0.000 0.557 452 S N 2.547 118.000 115.700 -0.411 0.000 2.622 452 S HA 0.400 4.870 4.470 0.000 0.000 0.283 452 S C -1.690 172.787 174.600 -0.206 0.000 1.197 452 S CA -1.233 56.777 58.200 -0.317 0.000 1.146 452 S CB 1.382 64.143 63.200 -0.731 0.000 1.007 452 S HN -0.316 nan 8.310 nan 0.000 0.478 453 P HA -0.109 nan 4.420 nan 0.000 0.216 453 P C 0.925 178.128 177.300 -0.162 0.000 1.150 453 P CA 1.178 64.302 63.100 0.040 0.000 0.843 453 P CB 0.222 32.094 31.700 0.287 0.000 0.787 454 E N -0.854 119.260 120.200 -0.144 0.000 2.077 454 E HA -0.161 4.189 4.350 0.000 0.000 0.193 454 E C 1.845 178.291 176.600 -0.258 0.000 0.989 454 E CA 0.845 57.072 56.400 -0.288 0.000 0.800 454 E CB -1.198 28.409 29.700 -0.154 0.000 0.746 454 E HN 0.129 nan 8.360 nan 0.000 0.452 455 L N 0.446 121.502 121.223 -0.278 0.000 2.056 455 L HA -0.002 4.338 4.340 0.000 0.000 0.207 455 L C 2.052 178.723 176.870 -0.331 0.000 1.078 455 L CA 1.934 56.587 54.840 -0.311 0.000 0.749 455 L CB -0.909 40.906 42.059 -0.408 0.000 0.901 455 L HN 0.107 nan 8.230 nan 0.000 0.433 456 A N -0.121 122.510 122.820 -0.315 0.000 1.892 456 A HA -0.231 4.089 4.320 0.000 0.000 0.218 456 A C 2.478 179.889 177.584 -0.289 0.000 1.188 456 A CA 2.346 54.229 52.037 -0.257 0.000 0.631 456 A CB -1.351 17.543 19.000 -0.177 0.000 0.822 456 A HN 0.606 nan 8.150 nan 0.000 0.447 457 A N -0.438 122.124 122.820 -0.431 0.000 1.902 457 A HA 0.156 4.476 4.320 0.000 0.000 0.217 457 A C 2.517 179.712 177.584 -0.649 0.000 1.181 457 A CA 2.214 53.892 52.037 -0.598 0.000 0.623 457 A CB -1.018 17.316 19.000 -1.110 0.000 0.818 457 A HN 1.130 nan 8.150 nan 0.000 0.443 458 A N -1.099 121.374 122.820 -0.579 0.000 1.902 458 A HA -0.162 4.158 4.320 0.000 0.000 0.217 458 A C 2.309 179.752 177.584 -0.236 0.000 1.181 458 A CA 1.630 53.401 52.037 -0.443 0.000 0.623 458 A CB -1.283 17.708 19.000 -0.015 0.000 0.818 458 A HN 0.585 nan 8.150 nan 0.000 0.443 459 C N -0.582 118.588 119.300 -0.217 0.000 2.429 459 C HA -0.103 4.357 4.460 0.000 0.000 0.277 459 C C 2.657 177.742 174.990 0.159 0.000 1.262 459 C CA 1.203 60.187 59.018 -0.057 0.000 1.733 459 C CB -1.312 26.277 27.740 -0.251 0.000 2.010 459 C HN 0.694 nan 8.230 nan 0.000 0.483 460 E N 0.236 120.392 120.200 -0.074 0.000 2.033 460 E HA -0.215 4.135 4.350 0.000 0.000 0.199 460 E C 2.097 178.591 176.600 -0.177 0.000 1.011 460 E CA 1.717 58.056 56.400 -0.101 0.000 0.815 460 E CB -0.265 29.327 29.700 -0.179 0.000 0.755 460 E HN 0.475 nan 8.360 nan 0.000 0.451 461 V N 0.171 119.842 119.914 -0.405 0.000 2.407 461 V HA -0.202 3.918 4.120 0.000 0.000 0.248 461 V C 1.369 177.133 176.094 -0.550 0.000 1.055 461 V CA 1.315 63.224 62.300 -0.650 0.000 1.049 461 V CB -0.337 30.735 31.823 -1.252 0.000 0.662 461 V HN 0.435 nan 8.190 nan 0.000 0.455 462 W N -0.434 120.812 121.300 -0.090 0.000 2.991 462 W HA 0.340 5.000 4.660 0.000 0.000 0.391 462 W C 1.829 178.297 176.519 -0.085 0.000 1.054 462 W CA -0.888 56.336 57.345 -0.202 0.000 1.856 462 W CB -0.296 28.808 29.460 -0.595 0.000 1.132 462 W HN 0.267 nan 8.180 nan 0.000 0.601 463 K N 1.456 121.970 120.400 0.190 0.000 2.097 463 K HA -0.227 4.093 4.320 0.000 0.000 0.214 463 K C 0.736 177.153 176.600 -0.306 0.000 1.052 463 K CA 1.795 57.994 56.287 -0.145 0.000 0.932 463 K CB 0.239 32.676 32.500 -0.105 0.000 0.716 463 K HN -0.076 nan 8.250 nan 0.000 0.455 464 E N 0.526 120.636 120.200 -0.149 0.000 2.585 464 E HA 0.108 4.458 4.350 0.000 0.000 0.206 464 E C -0.524 176.019 176.600 -0.095 0.000 1.007 464 E CA -0.114 56.196 56.400 -0.151 0.000 1.028 464 E CB 0.529 30.145 29.700 -0.139 0.000 1.087 464 E HN 0.206 nan 8.360 nan 0.000 0.455 465 I N 1.779 122.330 120.570 -0.032 0.000 2.301 465 I HA 0.222 4.392 4.170 0.000 0.000 0.292 465 I C 0.242 176.347 176.117 -0.020 0.000 1.046 465 I CA -0.358 60.922 61.300 -0.034 0.000 1.282 465 I CB 0.275 38.311 38.000 0.060 0.000 1.409 465 I HN -0.249 nan 8.210 nan 0.000 0.484 466 K N 5.600 125.866 120.400 -0.222 0.000 2.400 466 K HA 0.687 5.007 4.320 0.000 0.000 0.246 466 K C -1.237 175.097 176.600 -0.443 0.000 0.995 466 K CA -0.366 55.837 56.287 -0.140 0.000 0.840 466 K CB 2.035 34.499 32.500 -0.060 0.000 1.293 466 K HN 0.174 nan 8.250 nan 0.000 0.445 467 F N 1.054 121.122 119.950 0.196 0.000 2.610 467 F HA 0.350 4.877 4.527 0.000 0.000 0.355 467 F C -0.688 175.220 175.800 0.181 0.000 1.140 467 F CA -0.475 57.662 58.000 0.228 0.000 1.037 467 F CB 1.682 40.824 39.000 0.236 0.000 1.287 467 F HN 0.313 nan 8.300 nan 0.000 0.457 468 E N 3.652 123.938 120.200 0.144 0.000 2.373 468 E HA 0.493 4.844 4.350 0.000 0.000 0.251 468 E C -1.296 175.214 176.600 -0.149 0.000 0.923 468 E CA -0.358 56.075 56.400 0.054 0.000 0.798 468 E CB 1.692 31.378 29.700 -0.024 0.000 1.303 468 E HN 0.302 nan 8.360 nan 0.000 0.412 469 F N 1.157 121.160 119.950 0.088 0.000 2.631 469 F HA 0.548 5.075 4.527 0.000 0.000 0.328 469 F C -1.922 173.912 175.800 0.055 0.000 1.067 469 F CA -2.222 55.819 58.000 0.068 0.000 0.969 469 F CB 0.800 39.845 39.000 0.075 0.000 1.332 469 F HN 0.217 nan 8.300 nan 0.000 0.490 470 P HA 0.438 nan 4.420 nan 0.000 0.281 470 P C -1.198 176.190 177.300 0.147 0.000 1.252 470 P CA -0.415 62.778 63.100 0.154 0.000 0.778 470 P CB 0.760 32.534 31.700 0.124 0.000 0.895 471 A N 3.005 125.894 122.820 0.114 0.000 2.371 471 A HA 0.295 4.615 4.320 0.000 0.000 0.257 471 A C 1.103 178.737 177.584 0.082 0.000 1.089 471 A CA -0.241 51.855 52.037 0.099 0.000 0.794 471 A CB 0.175 19.233 19.000 0.096 0.000 1.029 471 A HN 0.493 nan 8.150 nan 0.000 0.488 472 M N 0.358 120.001 119.600 0.071 0.000 2.394 472 M HA 0.080 4.561 4.480 0.000 0.000 0.266 472 M C 0.122 176.468 176.300 0.076 0.000 1.098 472 M CA 0.901 56.239 55.300 0.062 0.000 1.149 472 M CB -1.027 31.597 32.600 0.041 0.000 1.369 472 M HN 0.808 nan 8.290 nan 0.000 0.450 473 D N 1.653 122.110 120.400 0.094 0.000 2.440 473 D HA 0.348 4.988 4.640 0.000 0.000 0.239 473 D C -0.635 175.751 176.300 0.145 0.000 1.084 473 D CA -0.080 53.998 54.000 0.129 0.000 0.843 473 D CB 1.301 42.191 40.800 0.151 0.000 1.097 473 D HN 0.149 nan 8.370 nan 0.000 0.531 474 T N -0.356 114.274 114.554 0.127 0.000 2.883 474 T HA 0.625 4.975 4.350 0.000 0.000 0.284 474 T C 0.361 175.126 174.700 0.108 0.000 1.041 474 T CA -0.810 61.355 62.100 0.109 0.000 1.007 474 T CB 0.743 69.658 68.868 0.078 0.000 1.220 474 T HN 0.090 nan 8.240 nan 0.000 0.552 475 V N 0.000 119.960 119.914 0.077 0.000 2.409 475 V HA 0.000 4.120 4.120 0.000 0.000 0.244 475 V CA 0.000 62.333 62.300 0.056 0.000 1.235 475 V CB 0.000 31.834 31.823 0.018 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556