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 1q6x_1_A DATA FIRST_RESID 18 DATA SEQUENCE WEELDLPKLP VPPLQQTLAT YLQCMQHLVP EEQFRKSQAI VKRFGAPGGL DATA SEQUENCE GETLQEKLLE RQEKTANWVS EYWLNDMYLN NRLALPVNSS PAVIFARQHF DATA SEQUENCE QDTNDQLRFA ACLISGVLSY KTLLDSHSLP TDWAKGQLSG QPLCMKQYYR DATA SEQUENCE LFSSYRLPGH TQDTLVAQKS SIMPEPEHVI VACCNQFFVL DVVINFRRLS DATA SEQUENCE EGDLFTQLRK IVKMASNEDE RLPPIGLLTS DGRSEWAKAR TVLLKDSTNR DATA SEQUENCE DSLDMIERCI CLVCLDGPGT GELSDTHRAL QLLHGGGCSL NGANRWYDKS DATA SEQUENCE LQFVVGRDGT CGVVCEHSPF DGIVLVQCTE HLLKHMMTSN KKLVRADSVS DATA SEQUENCE ELPAPRRLRW KCSPETQGHL ASSAEKLQRI VKNLDFIVYK FDNYGKTFIK DATA SEQUENCE KQKYSPDGFI QVALQLAYYR LYQRLVPTYE SASIRRFQEG RVDNIRSATP DATA SEQUENCE EALAFVQAMT DHKAAMPASE KLQLLQTAMQ AQTEYTVMAI TGMAIDNHLL DATA SEQUENCE ALRELARDLC KEPPEMFMDE TYLMSNRFVL STSQVPTTME MFCCYGPVVP DATA SEQUENCE NGYGACYNPQ PEAITFCISS FHSCKETSSV EFAEAVGASL VDMRDLCSSR 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 18 W HA 0.000 nan 4.660 nan 0.000 0.303 18 W C 0.000 176.463 176.519 -0.093 0.000 1.175 18 W CA 0.000 57.281 57.345 -0.107 0.000 1.226 18 W CB 0.000 29.346 29.460 -0.190 0.000 1.126 19 E N 0.921 121.199 120.200 0.130 0.000 2.630 19 E HA 0.006 4.356 4.350 -0.000 0.000 0.218 19 E C 0.579 177.229 176.600 0.083 0.000 0.977 19 E CA 0.187 56.650 56.400 0.104 0.000 1.038 19 E CB 0.408 30.134 29.700 0.044 0.000 1.051 19 E HN 0.202 nan 8.360 nan 0.000 0.487 20 E N -0.251 120.002 120.200 0.089 0.000 3.170 20 E HA -0.263 4.086 4.350 -0.000 0.000 0.284 20 E C 1.005 177.634 176.600 0.049 0.000 0.967 20 E CA 0.534 56.977 56.400 0.072 0.000 0.919 20 E CB -2.085 27.662 29.700 0.078 0.000 1.469 20 E HN 0.442 nan 8.360 nan 0.000 0.444 21 L N 0.244 121.489 121.223 0.037 0.000 2.353 21 L HA -0.141 4.199 4.340 -0.000 0.000 0.220 21 L C 1.703 178.589 176.870 0.027 0.000 1.133 21 L CA 1.321 56.178 54.840 0.028 0.000 0.798 21 L CB -0.231 41.835 42.059 0.013 0.000 0.922 21 L HN 0.003 nan 8.230 nan 0.000 0.445 22 D N -0.475 119.940 120.400 0.025 0.000 2.360 22 D HA 0.163 4.803 4.640 -0.000 0.000 0.210 22 D C 0.919 177.229 176.300 0.018 0.000 1.047 22 D CA 0.125 54.137 54.000 0.020 0.000 0.854 22 D CB 0.523 41.333 40.800 0.016 0.000 0.936 22 D HN 0.214 nan 8.370 nan 0.000 0.514 23 L N 1.876 123.111 121.223 0.020 0.000 2.467 23 L HA 0.165 4.505 4.340 -0.000 0.000 0.270 23 L C -2.023 174.872 176.870 0.042 0.000 1.205 23 L CA -1.497 53.345 54.840 0.002 0.000 0.828 23 L CB 0.056 42.114 42.059 -0.000 0.000 1.101 23 L HN -0.297 nan 8.230 nan 0.000 0.479 24 P HA 0.065 nan 4.420 nan 0.000 0.268 24 P C -0.930 176.543 177.300 0.289 0.000 1.205 24 P CA -0.067 63.131 63.100 0.163 0.000 0.771 24 P CB 0.464 32.273 31.700 0.182 0.000 0.858 25 K N 1.728 122.261 120.400 0.221 0.000 2.185 25 K HA 0.234 4.554 4.320 -0.000 0.000 0.271 25 K C 0.033 176.694 176.600 0.102 0.000 1.013 25 K CA -0.887 55.499 56.287 0.165 0.000 0.943 25 K CB 0.355 32.926 32.500 0.119 0.000 0.998 25 K HN 0.329 nan 8.250 nan 0.000 0.468 26 L N 4.657 125.836 121.223 -0.073 0.000 2.559 26 L HA 0.064 4.404 4.340 -0.000 0.000 0.274 26 L C -2.370 174.460 176.870 -0.066 0.000 1.205 26 L CA -0.909 53.665 54.840 -0.443 0.000 0.907 26 L CB 0.036 41.777 42.059 -0.529 0.000 1.153 26 L HN 0.418 nan 8.230 nan 0.000 0.490 27 P HA 0.132 nan 4.420 nan 0.000 0.272 27 P C -1.258 176.089 177.300 0.078 0.000 1.230 27 P CA -0.266 62.804 63.100 -0.050 0.000 0.788 27 P CB 0.763 32.380 31.700 -0.137 0.000 0.949 28 V N 4.292 124.139 119.914 -0.112 0.000 2.357 28 V HA 0.308 4.427 4.120 -0.000 0.000 0.284 28 V C -2.037 173.852 176.094 -0.342 0.000 1.018 28 V CA -1.716 60.348 62.300 -0.392 0.000 0.841 28 V CB 0.998 32.499 31.823 -0.537 0.000 0.991 28 V HN 0.559 nan 8.190 nan 0.000 0.437 29 P HA 0.292 nan 4.420 nan 0.000 0.272 29 P C -2.698 174.523 177.300 -0.131 0.000 1.230 29 P CA -1.381 61.581 63.100 -0.229 0.000 0.788 29 P CB -0.048 31.577 31.700 -0.124 0.000 0.949 30 P HA 0.035 nan 4.420 nan 0.000 0.271 30 P C 0.708 178.096 177.300 0.146 0.000 1.216 30 P CA -0.206 62.920 63.100 0.044 0.000 0.776 30 P CB 0.395 32.111 31.700 0.028 0.000 0.881 31 L N 3.277 124.581 121.223 0.135 0.000 1.989 31 L HA -0.240 4.100 4.340 -0.000 0.000 0.211 31 L C 2.017 178.939 176.870 0.087 0.000 1.071 31 L CA 2.088 57.004 54.840 0.126 0.000 0.749 31 L CB -1.037 41.038 42.059 0.027 0.000 0.890 31 L HN 0.313 nan 8.230 nan 0.000 0.431 32 Q N -0.464 119.370 119.800 0.057 0.000 2.135 32 Q HA -0.289 4.051 4.340 -0.000 0.000 0.204 32 Q C 2.172 178.219 176.000 0.079 0.000 0.981 32 Q CA 2.025 57.861 55.803 0.056 0.000 0.856 32 Q CB -0.527 28.231 28.738 0.034 0.000 0.902 32 Q HN 0.753 nan 8.270 nan 0.000 0.425 33 Q N -0.039 119.810 119.800 0.083 0.000 2.079 33 Q HA -0.126 4.213 4.340 -0.000 0.000 0.200 33 Q C 1.720 177.793 176.000 0.121 0.000 0.974 33 Q CA 1.727 57.582 55.803 0.087 0.000 0.840 33 Q CB 0.090 28.869 28.738 0.068 0.000 0.898 33 Q HN 0.302 nan 8.270 nan 0.000 0.430 34 T N 1.663 116.311 114.554 0.158 0.000 2.708 34 T HA -0.106 4.244 4.350 -0.000 0.000 0.266 34 T C 1.814 176.622 174.700 0.180 0.000 1.037 34 T CA 1.338 63.551 62.100 0.188 0.000 1.146 34 T CB -0.192 68.810 68.868 0.223 0.000 0.865 34 T HN 0.260 nan 8.240 nan 0.000 0.435 35 L N 0.692 122.005 121.223 0.149 0.000 2.046 35 L HA -0.088 4.252 4.340 -0.000 0.000 0.208 35 L C 3.067 180.078 176.870 0.236 0.000 1.077 35 L CA 1.300 56.255 54.840 0.192 0.000 0.747 35 L CB -0.794 41.356 42.059 0.152 0.000 0.896 35 L HN 0.247 nan 8.230 nan 0.000 0.432 36 A N -0.233 122.688 122.820 0.168 0.000 1.873 36 A HA -0.179 4.141 4.320 -0.000 0.000 0.215 36 A C 2.376 180.062 177.584 0.170 0.000 1.186 36 A CA 2.258 54.384 52.037 0.149 0.000 0.616 36 A CB -0.891 18.173 19.000 0.106 0.000 0.823 36 A HN 0.354 nan 8.150 nan 0.000 0.442 37 T N -1.367 113.292 114.554 0.174 0.000 2.746 37 T HA -0.175 4.175 4.350 -0.000 0.000 0.267 37 T C 1.760 176.608 174.700 0.246 0.000 1.039 37 T CA 1.678 63.886 62.100 0.180 0.000 1.142 37 T CB -0.456 68.499 68.868 0.146 0.000 0.866 37 T HN 0.572 nan 8.240 nan 0.000 0.444 38 Y N 2.007 122.400 120.300 0.154 0.000 2.081 38 Y HA -0.174 4.376 4.550 -0.000 0.000 0.280 38 Y C 1.994 178.000 175.900 0.177 0.000 1.163 38 Y CA 1.231 59.431 58.100 0.167 0.000 1.135 38 Y CB -0.736 37.811 38.460 0.145 0.000 0.970 38 Y HN 0.141 nan 8.280 nan 0.000 0.498 39 L N 0.150 121.394 121.223 0.034 0.000 2.046 39 L HA -0.270 4.070 4.340 -0.000 0.000 0.208 39 L C 2.758 179.716 176.870 0.146 0.000 1.077 39 L CA 1.970 56.839 54.840 0.050 0.000 0.747 39 L CB -0.735 41.423 42.059 0.165 0.000 0.896 39 L HN 0.360 nan 8.230 nan 0.000 0.432 40 Q N -0.532 119.350 119.800 0.137 0.000 2.084 40 Q HA -0.232 4.108 4.340 -0.000 0.000 0.202 40 Q C 2.470 178.534 176.000 0.107 0.000 0.978 40 Q CA 2.004 57.881 55.803 0.123 0.000 0.844 40 Q CB -0.082 28.734 28.738 0.131 0.000 0.898 40 Q HN 0.576 nan 8.270 nan 0.000 0.426 41 C N 0.229 119.591 119.300 0.103 0.000 2.425 41 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 41 C C 2.515 177.436 174.990 -0.115 0.000 1.280 41 C CA 0.522 59.596 59.018 0.093 0.000 1.744 41 C CB -0.572 27.254 27.740 0.144 0.000 1.989 41 C HN 0.605 nan 8.230 nan 0.000 0.491 42 M N -0.177 119.317 119.600 -0.177 0.000 2.435 42 M HA -0.015 4.465 4.480 -0.000 0.000 0.265 42 M C 2.046 178.137 176.300 -0.348 0.000 1.104 42 M CA 0.793 55.934 55.300 -0.266 0.000 1.140 42 M CB -1.588 30.862 32.600 -0.250 0.000 1.372 42 M HN 0.514 nan 8.290 nan 0.000 0.456 43 Q N 1.194 120.740 119.800 -0.423 0.000 2.082 43 Q HA -0.241 4.099 4.340 -0.000 0.000 0.211 43 Q C 1.713 177.410 176.000 -0.505 0.000 1.002 43 Q CA 2.349 57.605 55.803 -0.912 0.000 0.868 43 Q CB -0.326 27.865 28.738 -0.911 0.000 0.931 43 Q HN 0.689 nan 8.270 nan 0.000 0.414 44 H N -1.041 117.862 119.070 -0.278 0.000 2.553 44 H HA 0.051 4.607 4.556 -0.000 0.000 0.269 44 H C 1.143 176.415 175.328 -0.093 0.000 1.011 44 H CA 0.512 56.464 56.048 -0.161 0.000 1.150 44 H CB 0.034 29.734 29.762 -0.104 0.000 1.339 44 H HN 0.373 nan 8.280 nan 0.000 0.604 45 L N 0.834 121.828 121.223 -0.381 0.000 2.731 45 L HA 0.187 4.527 4.340 -0.000 0.000 0.240 45 L C 0.393 177.190 176.870 -0.121 0.000 1.120 45 L CA -0.210 54.486 54.840 -0.240 0.000 0.913 45 L CB 1.067 42.937 42.059 -0.316 0.000 1.213 45 L HN 0.124 nan 8.230 nan 0.000 0.515 46 V N -4.459 115.390 119.914 -0.110 0.000 3.074 46 V HA 0.673 4.793 4.120 -0.000 0.000 0.314 46 V C -2.654 173.435 176.094 -0.008 0.000 1.117 46 V CA -2.427 59.852 62.300 -0.034 0.000 1.014 46 V CB 1.205 33.035 31.823 0.011 0.000 1.057 46 V HN -0.143 nan 8.190 nan 0.000 0.438 47 P HA 0.144 nan 4.420 nan 0.000 0.266 47 P C 0.832 178.174 177.300 0.069 0.000 1.195 47 P CA 0.178 63.299 63.100 0.036 0.000 0.768 47 P CB 0.581 32.303 31.700 0.036 0.000 0.838 48 E N 2.072 122.309 120.200 0.061 0.000 2.070 48 E HA -0.322 4.027 4.350 -0.000 0.000 0.197 48 E C 1.511 178.191 176.600 0.133 0.000 1.004 48 E CA 1.294 57.754 56.400 0.099 0.000 0.805 48 E CB 0.003 29.744 29.700 0.068 0.000 0.744 48 E HN 0.430 nan 8.360 nan 0.000 0.451 49 E N 0.699 120.949 120.200 0.084 0.000 2.038 49 E HA -0.266 4.084 4.350 -0.000 0.000 0.195 49 E C 2.047 178.688 176.600 0.069 0.000 1.000 49 E CA 1.526 57.965 56.400 0.065 0.000 0.803 49 E CB -0.277 29.448 29.700 0.041 0.000 0.750 49 E HN 0.413 nan 8.360 nan 0.000 0.448 50 Q N -0.694 119.151 119.800 0.075 0.000 2.135 50 Q HA -0.190 4.149 4.340 -0.000 0.000 0.204 50 Q C 2.224 178.280 176.000 0.093 0.000 0.981 50 Q CA 1.506 57.349 55.803 0.068 0.000 0.856 50 Q CB -0.334 28.442 28.738 0.064 0.000 0.902 50 Q HN 0.234 nan 8.270 nan 0.000 0.425 51 F N 1.321 121.261 119.950 -0.017 0.000 2.095 51 F HA -0.167 4.360 4.527 -0.000 0.000 0.298 51 F C 2.125 177.917 175.800 -0.014 0.000 1.104 51 F CA 1.662 59.647 58.000 -0.026 0.000 1.232 51 F CB -0.156 38.828 39.000 -0.027 0.000 0.987 51 F HN 0.008 nan 8.300 nan 0.000 0.475 52 R N 0.304 120.781 120.500 -0.039 0.000 2.105 52 R HA -0.177 4.163 4.340 -0.000 0.000 0.239 52 R C 2.191 178.400 176.300 -0.152 0.000 1.135 52 R CA 1.784 57.809 56.100 -0.125 0.000 0.967 52 R CB -0.431 29.866 30.300 -0.005 0.000 0.861 52 R HN 0.335 nan 8.270 nan 0.000 0.442 53 K N 0.023 120.366 120.400 -0.095 0.000 2.097 53 K HA -0.011 4.309 4.320 -0.000 0.000 0.205 53 K C 2.236 178.768 176.600 -0.113 0.000 1.050 53 K CA 1.278 57.518 56.287 -0.079 0.000 0.938 53 K CB 0.025 32.502 32.500 -0.039 0.000 0.718 53 K HN 0.015 nan 8.250 nan 0.000 0.442 54 S N 1.504 117.114 115.700 -0.150 0.000 2.382 54 S HA -0.166 4.304 4.470 -0.000 0.000 0.228 54 S C 1.886 176.363 174.600 -0.205 0.000 1.027 54 S CA 1.161 59.274 58.200 -0.145 0.000 0.991 54 S CB -0.134 62.992 63.200 -0.124 0.000 0.823 54 S HN 0.316 nan 8.310 nan 0.000 0.469 55 Q N 0.699 120.279 119.800 -0.366 0.000 2.096 55 Q HA -0.086 4.254 4.340 -0.000 0.000 0.204 55 Q C 2.488 178.398 176.000 -0.151 0.000 0.982 55 Q CA 1.473 57.089 55.803 -0.312 0.000 0.850 55 Q CB -0.344 28.158 28.738 -0.393 0.000 0.901 55 Q HN 0.614 nan 8.270 nan 0.000 0.422 56 A N 0.731 123.474 122.820 -0.128 0.000 1.897 56 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 56 A C 2.016 179.567 177.584 -0.055 0.000 1.181 56 A CA 0.909 52.901 52.037 -0.074 0.000 0.620 56 A CB -0.506 18.456 19.000 -0.063 0.000 0.821 56 A HN 0.280 nan 8.150 nan 0.000 0.443 57 I N -0.382 120.149 120.570 -0.065 0.000 2.179 57 I HA -0.214 3.956 4.170 -0.000 0.000 0.242 57 I C 2.317 178.416 176.117 -0.029 0.000 1.088 57 I CA 1.167 62.432 61.300 -0.057 0.000 1.357 57 I CB -0.343 37.607 38.000 -0.083 0.000 1.051 57 I HN 0.143 nan 8.210 nan 0.000 0.409 58 V N 0.983 120.883 119.914 -0.022 0.000 2.358 58 V HA -0.294 3.826 4.120 -0.000 0.000 0.246 58 V C 2.524 178.661 176.094 0.072 0.000 1.047 58 V CA 1.897 64.224 62.300 0.044 0.000 1.035 58 V CB -0.689 31.178 31.823 0.073 0.000 0.658 58 V HN 0.415 nan 8.190 nan 0.000 0.452 59 K N 0.114 120.524 120.400 0.016 0.000 2.032 59 K HA -0.202 4.118 4.320 -0.000 0.000 0.209 59 K C 2.406 179.008 176.600 0.002 0.000 1.048 59 K CA 1.578 57.867 56.287 0.004 0.000 0.927 59 K CB -0.136 32.353 32.500 -0.018 0.000 0.712 59 K HN 0.339 nan 8.250 nan 0.000 0.441 60 R N -0.558 119.946 120.500 0.005 0.000 2.081 60 R HA -0.138 4.202 4.340 -0.000 0.000 0.235 60 R C 2.312 178.617 176.300 0.009 0.000 1.131 60 R CA 1.581 57.680 56.100 -0.002 0.000 0.960 60 R CB -0.438 29.861 30.300 -0.002 0.000 0.856 60 R HN 0.249 nan 8.270 nan 0.000 0.436 61 F N 0.641 120.521 119.950 -0.116 0.000 2.134 61 F HA -0.057 4.470 4.527 -0.000 0.000 0.299 61 F C 1.955 177.687 175.800 -0.114 0.000 1.097 61 F CA 1.751 59.664 58.000 -0.146 0.000 1.264 61 F CB -0.347 38.519 39.000 -0.223 0.000 1.001 61 F HN -0.022 nan 8.300 nan 0.000 0.479 62 G N -0.306 108.427 108.800 -0.111 0.000 3.042 62 G HA2 0.341 4.301 3.960 -0.000 0.000 0.212 62 G HA3 0.341 4.301 3.960 -0.000 0.000 0.212 62 G C 0.530 175.348 174.900 -0.137 0.000 1.166 62 G CA 0.246 45.240 45.100 -0.176 0.000 0.767 62 G HN 0.573 nan 8.290 nan 0.000 0.546 63 A N 0.897 123.649 122.820 -0.114 0.000 2.466 63 A HA 0.505 4.825 4.320 -0.000 0.000 0.238 63 A C -2.094 175.431 177.584 -0.099 0.000 1.074 63 A CA -0.809 51.178 52.037 -0.084 0.000 0.774 63 A CB 0.022 18.983 19.000 -0.065 0.000 1.015 63 A HN 0.141 nan 8.150 nan 0.000 0.498 64 P HA 0.211 nan 4.420 nan 0.000 0.260 64 P C 0.917 178.174 177.300 -0.072 0.000 1.185 64 P CA 2.046 65.105 63.100 -0.067 0.000 0.763 64 P CB 0.353 32.025 31.700 -0.047 0.000 0.776 65 G N 2.361 111.112 108.800 -0.082 0.000 2.148 65 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.254 65 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.254 65 G C 0.637 175.480 174.900 -0.096 0.000 0.981 65 G CA -0.139 44.915 45.100 -0.078 0.000 0.670 65 G HN 0.852 nan 8.290 nan 0.000 0.528 66 G N -1.225 107.495 108.800 -0.134 0.000 2.510 66 G HA2 0.584 4.543 3.960 -0.000 0.000 0.280 66 G HA3 0.584 4.543 3.960 -0.000 0.000 0.280 66 G C 1.196 175.966 174.900 -0.217 0.000 1.386 66 G CA 0.083 45.085 45.100 -0.164 0.000 1.047 66 G HN 0.826 nan 8.290 nan 0.000 0.527 67 L N 0.501 121.574 121.223 -0.250 0.000 2.017 67 L HA 0.072 4.412 4.340 -0.000 0.000 0.208 67 L C 2.828 179.425 176.870 -0.456 0.000 1.073 67 L CA 2.905 57.599 54.840 -0.244 0.000 0.745 67 L CB -1.003 41.001 42.059 -0.092 0.000 0.894 67 L HN 0.581 nan 8.230 nan 0.000 0.432 68 G N -1.005 107.170 108.800 -1.043 0.000 2.491 68 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.218 68 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.218 68 G C 1.433 176.063 174.900 -0.449 0.000 1.180 68 G CA 0.984 45.387 45.100 -1.162 0.000 0.774 68 G HN 0.572 nan 8.290 nan 0.000 0.562 69 E N -0.252 119.749 120.200 -0.332 0.000 2.106 69 E HA -0.081 4.269 4.350 -0.000 0.000 0.192 69 E C 2.771 179.293 176.600 -0.130 0.000 0.984 69 E CA 1.279 57.571 56.400 -0.181 0.000 0.806 69 E CB -0.224 29.390 29.700 -0.144 0.000 0.750 69 E HN 0.361 nan 8.360 nan 0.000 0.458 70 T N 1.838 116.311 114.554 -0.135 0.000 2.708 70 T HA -0.119 4.231 4.350 -0.000 0.000 0.266 70 T C 2.011 176.676 174.700 -0.058 0.000 1.037 70 T CA 0.850 62.901 62.100 -0.083 0.000 1.146 70 T CB -0.200 68.625 68.868 -0.072 0.000 0.865 70 T HN 0.089 nan 8.240 nan 0.000 0.435 71 L N 0.733 121.919 121.223 -0.061 0.000 2.046 71 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 71 L C 2.876 179.738 176.870 -0.013 0.000 1.077 71 L CA 1.275 56.110 54.840 -0.009 0.000 0.747 71 L CB -0.561 41.528 42.059 0.051 0.000 0.896 71 L HN 0.251 nan 8.230 nan 0.000 0.432 72 Q N 0.619 120.397 119.800 -0.037 0.000 2.135 72 Q HA -0.277 4.063 4.340 -0.000 0.000 0.204 72 Q C 2.037 178.010 176.000 -0.046 0.000 0.981 72 Q CA 1.950 57.739 55.803 -0.024 0.000 0.856 72 Q CB -0.084 28.639 28.738 -0.026 0.000 0.902 72 Q HN 0.456 nan 8.270 nan 0.000 0.425 73 E N -0.732 119.440 120.200 -0.046 0.000 2.106 73 E HA -0.201 4.149 4.350 -0.000 0.000 0.192 73 E C 1.498 178.078 176.600 -0.034 0.000 0.984 73 E CA 0.973 57.348 56.400 -0.042 0.000 0.806 73 E CB 0.107 29.784 29.700 -0.038 0.000 0.750 73 E HN 0.127 nan 8.360 nan 0.000 0.458 74 K N 0.463 120.851 120.400 -0.021 0.000 2.148 74 K HA -0.122 4.198 4.320 -0.000 0.000 0.204 74 K C 2.142 178.739 176.600 -0.005 0.000 1.050 74 K CA 0.435 56.721 56.287 -0.002 0.000 0.942 74 K CB -0.408 32.103 32.500 0.018 0.000 0.724 74 K HN 0.202 nan 8.250 nan 0.000 0.446 75 L N 1.411 122.614 121.223 -0.034 0.000 2.046 75 L HA -0.092 4.248 4.340 -0.000 0.000 0.208 75 L C 2.042 178.818 176.870 -0.156 0.000 1.077 75 L CA 1.432 56.214 54.840 -0.097 0.000 0.747 75 L CB -0.586 41.371 42.059 -0.171 0.000 0.896 75 L HN 0.069 nan 8.230 nan 0.000 0.432 76 L N -0.879 120.263 121.223 -0.136 0.000 2.083 76 L HA -0.228 4.112 4.340 -0.000 0.000 0.209 76 L C 2.495 179.329 176.870 -0.060 0.000 1.083 76 L CA 1.428 56.195 54.840 -0.121 0.000 0.752 76 L CB -0.542 41.464 42.059 -0.089 0.000 0.899 76 L HN 0.405 nan 8.230 nan 0.000 0.433 77 E N -0.190 119.990 120.200 -0.034 0.000 2.077 77 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 77 E C 2.305 178.913 176.600 0.014 0.000 0.989 77 E CA 0.901 57.298 56.400 -0.005 0.000 0.800 77 E CB 0.009 29.711 29.700 0.003 0.000 0.746 77 E HN 0.295 nan 8.360 nan 0.000 0.452 78 R N 0.927 121.440 120.500 0.022 0.000 2.081 78 R HA -0.194 4.146 4.340 -0.000 0.000 0.235 78 R C 2.395 178.750 176.300 0.092 0.000 1.131 78 R CA 1.651 57.790 56.100 0.065 0.000 0.960 78 R CB -0.090 30.273 30.300 0.105 0.000 0.856 78 R HN 0.166 nan 8.270 nan 0.000 0.436 79 Q N 0.369 120.204 119.800 0.059 0.000 2.170 79 Q HA -0.201 4.139 4.340 -0.000 0.000 0.203 79 Q C 1.262 177.319 176.000 0.096 0.000 0.976 79 Q CA 1.784 57.662 55.803 0.124 0.000 0.858 79 Q CB 0.132 28.879 28.738 0.015 0.000 0.907 79 Q HN 0.499 nan 8.270 nan 0.000 0.433 80 E N -0.197 120.033 120.200 0.050 0.000 2.216 80 E HA -0.090 4.259 4.350 -0.000 0.000 0.192 80 E C 1.627 178.253 176.600 0.043 0.000 0.988 80 E CA 0.718 57.142 56.400 0.041 0.000 0.834 80 E CB 0.263 29.976 29.700 0.022 0.000 0.772 80 E HN 0.270 nan 8.360 nan 0.000 0.479 81 K N 0.377 120.805 120.400 0.046 0.000 2.361 81 K HA 0.022 4.342 4.320 -0.000 0.000 0.196 81 K C 0.841 177.468 176.600 0.044 0.000 1.039 81 K CA 0.731 57.042 56.287 0.040 0.000 1.001 81 K CB 0.556 33.078 32.500 0.036 0.000 0.795 81 K HN 0.095 nan 8.250 nan 0.000 0.495 82 T N -3.735 110.855 114.554 0.061 0.000 2.926 82 T HA 0.558 4.907 4.350 -0.000 0.000 0.289 82 T C 0.944 175.679 174.700 0.058 0.000 1.054 82 T CA -0.684 61.448 62.100 0.053 0.000 1.015 82 T CB 1.985 70.885 68.868 0.053 0.000 1.167 82 T HN -0.068 nan 8.240 nan 0.000 0.526 83 A N 0.702 123.545 122.820 0.037 0.000 1.970 83 A HA 0.227 4.546 4.320 -0.000 0.000 0.216 83 A C 1.085 178.680 177.584 0.018 0.000 1.170 83 A CA 0.628 52.686 52.037 0.034 0.000 0.645 83 A CB -0.508 18.508 19.000 0.027 0.000 0.816 83 A HN 0.834 nan 8.150 nan 0.000 0.447 84 N N -0.460 118.228 118.700 -0.021 0.000 2.549 84 N HA 0.086 4.825 4.740 -0.000 0.000 0.290 84 N C 0.264 175.691 175.510 -0.138 0.000 1.122 84 N CA -0.556 52.408 53.050 -0.143 0.000 0.885 84 N CB 0.575 38.952 38.487 -0.183 0.000 1.455 84 N HN 0.450 nan 8.380 nan 0.000 0.521 85 W N 2.986 124.259 121.300 -0.044 0.000 2.611 85 W HA 0.089 4.749 4.660 -0.000 0.000 0.251 85 W C 0.322 176.798 176.519 -0.072 0.000 1.265 85 W CA 0.074 57.386 57.345 -0.055 0.000 1.295 85 W CB -0.485 28.970 29.460 -0.008 0.000 1.129 85 W HN 0.285 nan 8.180 nan 0.000 0.630 86 V N 0.769 120.446 119.914 -0.394 0.000 3.661 86 V HA -0.090 4.029 4.120 -0.000 0.000 0.271 86 V C 2.267 178.321 176.094 -0.066 0.000 1.315 86 V CA 1.256 63.443 62.300 -0.188 0.000 1.072 86 V CB 0.153 31.678 31.823 -0.497 0.000 0.830 86 V HN 0.020 nan 8.190 nan 0.000 0.443 87 S N 0.620 116.242 115.700 -0.130 0.000 2.389 87 S HA -0.369 4.101 4.470 -0.000 0.000 0.229 87 S C 1.810 176.462 174.600 0.086 0.000 1.048 87 S CA 2.604 60.803 58.200 -0.002 0.000 1.117 87 S CB -0.410 62.770 63.200 -0.033 0.000 1.020 87 S HN 0.837 nan 8.310 nan 0.000 0.430 88 E N 0.036 120.216 120.200 -0.034 0.000 2.058 88 E HA -0.203 4.147 4.350 -0.000 0.000 0.194 88 E C 1.904 178.562 176.600 0.096 0.000 0.997 88 E CA 1.462 57.853 56.400 -0.016 0.000 0.801 88 E CB -0.325 29.299 29.700 -0.128 0.000 0.746 88 E HN 0.760 nan 8.360 nan 0.000 0.450 89 Y N -1.339 119.031 120.300 0.117 0.000 2.145 89 Y HA -0.231 4.319 4.550 -0.000 0.000 0.286 89 Y C 2.263 178.220 175.900 0.096 0.000 1.145 89 Y CA 0.668 58.827 58.100 0.099 0.000 1.148 89 Y CB -0.415 38.126 38.460 0.135 0.000 0.981 89 Y HN 0.322 nan 8.280 nan 0.000 0.507 90 W N 0.683 122.062 121.300 0.133 0.000 2.379 90 W HA -0.207 4.453 4.660 -0.000 0.000 0.307 90 W C 2.178 178.696 176.519 -0.002 0.000 1.200 90 W CA 1.185 58.554 57.345 0.040 0.000 1.297 90 W CB -0.492 28.968 29.460 0.001 0.000 1.140 90 W HN 0.038 nan 8.180 nan 0.000 0.507 91 L N 1.706 123.049 121.223 0.201 0.000 2.079 91 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 91 L C 1.859 178.655 176.870 -0.123 0.000 1.081 91 L CA 2.159 57.022 54.840 0.038 0.000 0.752 91 L CB -1.124 41.053 42.059 0.197 0.000 0.896 91 L HN -0.023 nan 8.230 nan 0.000 0.433 92 N N -0.535 118.128 118.700 -0.062 0.000 2.207 92 N HA -0.155 4.585 4.740 -0.000 0.000 0.182 92 N C 1.566 176.974 175.510 -0.171 0.000 1.020 92 N CA 1.462 54.466 53.050 -0.077 0.000 0.858 92 N CB -0.268 38.218 38.487 -0.003 0.000 0.991 92 N HN 0.489 nan 8.380 nan 0.000 0.427 93 D N -0.124 120.151 120.400 -0.209 0.000 2.144 93 D HA -0.064 4.575 4.640 -0.000 0.000 0.200 93 D C 1.847 177.881 176.300 -0.443 0.000 0.978 93 D CA 0.745 54.590 54.000 -0.259 0.000 0.833 93 D CB 0.150 40.837 40.800 -0.188 0.000 0.961 93 D HN -0.009 nan 8.370 nan 0.000 0.470 94 M N -1.492 117.645 119.600 -0.771 0.000 2.287 94 M HA 0.090 4.570 4.480 -0.000 0.000 0.266 94 M C 0.535 176.130 176.300 -1.175 0.000 1.079 94 M CA 1.426 56.027 55.300 -1.164 0.000 1.146 94 M CB 0.071 31.474 32.600 -1.995 0.000 1.374 94 M HN 0.189 nan 8.290 nan 0.000 0.435 95 Y N -2.424 117.609 120.300 -0.444 0.000 3.105 95 Y HA 0.235 4.785 4.550 -0.000 0.000 0.216 95 Y C 1.676 177.453 175.900 -0.205 0.000 0.943 95 Y CA -0.264 57.653 58.100 -0.306 0.000 1.535 95 Y CB -0.100 38.184 38.460 -0.295 0.000 1.475 95 Y HN -0.186 nan 8.280 nan 0.000 0.435 96 L N 0.932 122.152 121.223 -0.004 0.000 2.189 96 L HA -0.253 4.087 4.340 -0.000 0.000 0.214 96 L C 1.097 177.931 176.870 -0.060 0.000 1.097 96 L CA 1.379 56.203 54.840 -0.028 0.000 0.764 96 L CB -0.521 41.527 42.059 -0.020 0.000 0.900 96 L HN 0.384 nan 8.230 nan 0.000 0.436 97 N N -0.881 117.765 118.700 -0.089 0.000 2.424 97 N HA -0.045 4.695 4.740 -0.000 0.000 0.178 97 N C 0.698 176.153 175.510 -0.093 0.000 1.060 97 N CA 0.212 53.207 53.050 -0.093 0.000 0.901 97 N CB -0.376 38.049 38.487 -0.103 0.000 0.979 97 N HN 0.196 nan 8.380 nan 0.000 0.451 98 N N 1.865 120.506 118.700 -0.098 0.000 2.447 98 N HA -0.028 4.712 4.740 -0.000 0.000 0.263 98 N C 0.663 176.132 175.510 -0.068 0.000 1.226 98 N CA 0.128 53.124 53.050 -0.090 0.000 0.906 98 N CB 0.600 39.035 38.487 -0.087 0.000 1.060 98 N HN -0.060 nan 8.380 nan 0.000 0.468 99 R N 2.090 122.550 120.500 -0.068 0.000 2.254 99 R HA 0.188 4.528 4.340 -0.000 0.000 0.195 99 R C -0.021 176.243 176.300 -0.060 0.000 0.957 99 R CA -0.242 55.822 56.100 -0.058 0.000 1.024 99 R CB -0.580 29.686 30.300 -0.057 0.000 0.952 99 R HN 0.418 nan 8.270 nan 0.000 0.484 100 L N 1.096 122.279 121.223 -0.067 0.000 2.483 100 L HA 0.122 4.462 4.340 -0.000 0.000 0.275 100 L C 0.560 177.380 176.870 -0.083 0.000 1.220 100 L CA -0.485 54.310 54.840 -0.074 0.000 0.833 100 L CB -0.046 41.974 42.059 -0.065 0.000 1.102 100 L HN 0.147 nan 8.230 nan 0.000 0.490 101 A N 4.003 126.759 122.820 -0.108 0.000 2.498 101 A HA 0.177 4.497 4.320 -0.000 0.000 0.239 101 A C 1.370 178.852 177.584 -0.171 0.000 1.068 101 A CA -0.147 51.798 52.037 -0.154 0.000 0.766 101 A CB -0.089 18.795 19.000 -0.192 0.000 1.003 101 A HN 0.836 nan 8.150 nan 0.000 0.497 102 L N 1.887 122.978 121.223 -0.221 0.000 2.042 102 L HA -0.049 4.291 4.340 -0.000 0.000 0.210 102 L C -1.353 175.367 176.870 -0.249 0.000 1.076 102 L CA 0.707 55.425 54.840 -0.204 0.000 0.749 102 L CB -1.583 40.367 42.059 -0.182 0.000 0.893 102 L HN 0.425 nan 8.230 nan 0.000 0.432 103 P HA 0.030 nan 4.420 nan 0.000 0.262 103 P C 0.744 177.977 177.300 -0.112 0.000 1.182 103 P CA 0.775 63.649 63.100 -0.376 0.000 0.761 103 P CB 1.064 32.434 31.700 -0.550 0.000 0.795 104 V N 1.614 121.519 119.914 -0.015 0.000 0.489 104 V HA -0.428 3.692 4.120 -0.000 0.000 0.092 104 V C 2.052 178.202 176.094 0.093 0.000 2.367 104 V CA 2.481 64.816 62.300 0.058 0.000 3.630 104 V CB -1.601 30.294 31.823 0.121 0.000 0.914 104 V HN 0.630 nan 8.190 nan 0.000 0.957 105 N N -0.949 117.794 118.700 0.070 0.000 2.188 105 N HA -0.068 4.672 4.740 -0.000 0.000 0.184 105 N C 1.765 177.304 175.510 0.049 0.000 1.018 105 N CA 2.020 55.120 53.050 0.084 0.000 0.858 105 N CB 0.152 38.663 38.487 0.040 0.000 0.989 105 N HN 0.734 nan 8.380 nan 0.000 0.426 106 S N -0.801 114.913 115.700 0.023 0.000 3.056 106 S HA 0.158 4.628 4.470 -0.000 0.000 0.255 106 S C 0.171 174.798 174.600 0.044 0.000 1.079 106 S CA -0.403 57.813 58.200 0.028 0.000 0.810 106 S CB 0.001 63.204 63.200 0.005 0.000 0.810 106 S HN 0.037 nan 8.310 nan 0.000 0.477 107 S N 4.822 120.538 115.700 0.026 0.000 2.414 107 S HA 0.382 4.851 4.470 -0.000 0.000 0.290 107 S C -2.495 172.153 174.600 0.081 0.000 1.160 107 S CA -0.806 57.422 58.200 0.045 0.000 1.069 107 S CB 1.030 64.278 63.200 0.079 0.000 1.012 107 S HN 0.518 nan 8.310 nan 0.000 0.510 108 P HA 0.498 nan 4.420 nan 0.000 0.276 108 P C -1.146 176.181 177.300 0.045 0.000 1.244 108 P CA -0.621 62.566 63.100 0.145 0.000 0.801 108 P CB 1.034 32.864 31.700 0.217 0.000 1.006 109 A N 1.456 124.289 122.820 0.022 0.000 2.401 109 A HA 0.612 4.932 4.320 -0.000 0.000 0.310 109 A C -1.024 176.511 177.584 -0.081 0.000 1.075 109 A CA -0.705 51.292 52.037 -0.066 0.000 0.746 109 A CB 1.467 20.394 19.000 -0.121 0.000 1.277 109 A HN 0.294 nan 8.150 nan 0.000 0.425 110 V N 2.563 122.391 119.914 -0.144 0.000 2.384 110 V HA 0.383 4.503 4.120 -0.000 0.000 0.287 110 V C -0.925 174.961 176.094 -0.346 0.000 1.020 110 V CA -0.255 61.954 62.300 -0.152 0.000 0.850 110 V CB 1.152 32.972 31.823 -0.005 0.000 0.987 110 V HN 0.676 nan 8.190 nan 0.000 0.436 111 I N 6.016 126.277 120.570 -0.515 0.000 2.336 111 I HA 0.474 4.644 4.170 -0.000 0.000 0.292 111 I C -0.044 175.898 176.117 -0.292 0.000 0.991 111 I CA -0.020 60.922 61.300 -0.597 0.000 1.227 111 I CB 0.806 38.270 38.000 -0.894 0.000 1.366 111 I HN 0.289 nan 8.210 nan 0.000 0.466 112 F N 3.622 123.458 119.950 -0.189 0.000 2.348 112 F HA 0.668 5.195 4.527 -0.000 0.000 0.308 112 F C 1.022 176.770 175.800 -0.087 0.000 1.175 112 F CA -1.605 56.343 58.000 -0.087 0.000 1.080 112 F CB 0.038 39.047 39.000 0.014 0.000 1.341 112 F HN 0.463 nan 8.300 nan 0.000 0.518 113 A N 1.052 123.980 122.820 0.179 0.000 2.425 113 A HA 0.253 4.573 4.320 -0.000 0.000 0.242 113 A C 0.636 178.203 177.584 -0.029 0.000 1.077 113 A CA -0.517 51.562 52.037 0.070 0.000 0.781 113 A CB 0.051 19.083 19.000 0.055 0.000 1.020 113 A HN 0.627 nan 8.150 nan 0.000 0.494 114 R N 1.273 121.716 120.500 -0.094 0.000 2.484 114 R HA 0.034 4.374 4.340 -0.000 0.000 0.293 114 R C -0.540 175.489 176.300 -0.451 0.000 1.023 114 R CA 0.349 56.304 56.100 -0.243 0.000 1.037 114 R CB 0.144 30.314 30.300 -0.216 0.000 0.951 114 R HN 0.763 nan 8.270 nan 0.000 0.418 115 Q N 2.836 122.266 119.800 -0.618 0.000 2.227 115 Q HA 0.247 4.587 4.340 -0.000 0.000 0.245 115 Q C -0.409 174.991 176.000 -1.000 0.000 0.926 115 Q CA -0.377 54.926 55.803 -0.834 0.000 0.895 115 Q CB 1.351 29.359 28.738 -1.217 0.000 1.230 115 Q HN 0.528 nan 8.270 nan 0.000 0.450 116 H N 1.868 120.677 119.070 -0.434 0.000 2.623 116 H HA 0.350 4.906 4.556 -0.000 0.000 0.299 116 H C -0.756 174.596 175.328 0.040 0.000 1.052 116 H CA -0.067 55.861 56.048 -0.199 0.000 1.231 116 H CB -0.051 29.681 29.762 -0.051 0.000 1.389 116 H HN 0.378 nan 8.280 nan 0.000 0.469 117 F N 2.525 122.511 119.950 0.060 0.000 2.403 117 F HA 0.147 4.674 4.527 -0.000 0.000 0.355 117 F C 1.244 177.075 175.800 0.051 0.000 1.119 117 F CA -0.859 57.167 58.000 0.042 0.000 1.007 117 F CB 1.898 40.900 39.000 0.004 0.000 1.194 117 F HN 0.336 nan 8.300 nan 0.000 0.443 118 Q N 1.569 121.512 119.800 0.238 0.000 2.331 118 Q HA 0.003 4.343 4.340 -0.000 0.000 0.203 118 Q C -0.251 175.816 176.000 0.113 0.000 0.944 118 Q CA 0.843 56.730 55.803 0.141 0.000 0.892 118 Q CB -0.021 28.777 28.738 0.100 0.000 0.983 118 Q HN 0.779 nan 8.270 nan 0.000 0.482 119 D N -3.814 116.651 120.400 0.110 0.000 2.665 119 D HA 0.119 4.759 4.640 -0.000 0.000 0.287 119 D C 0.354 176.676 176.300 0.036 0.000 1.266 119 D CA -0.416 53.626 54.000 0.070 0.000 0.830 119 D CB 0.073 40.904 40.800 0.053 0.000 1.356 119 D HN -0.304 nan 8.370 nan 0.000 0.437 120 T N -0.330 114.238 114.554 0.024 0.000 2.685 120 T HA -0.194 4.156 4.350 -0.000 0.000 0.268 120 T C 1.353 176.045 174.700 -0.014 0.000 1.034 120 T CA 2.051 64.148 62.100 -0.005 0.000 1.149 120 T CB -0.739 68.129 68.868 -0.001 0.000 0.860 120 T HN 0.505 nan 8.240 nan 0.000 0.449 121 N N 0.572 119.302 118.700 0.050 0.000 2.205 121 N HA -0.135 4.605 4.740 -0.000 0.000 0.186 121 N C 1.468 176.996 175.510 0.031 0.000 1.015 121 N CA 1.078 54.223 53.050 0.158 0.000 0.862 121 N CB -0.086 38.513 38.487 0.187 0.000 0.986 121 N HN 0.397 nan 8.380 nan 0.000 0.429 122 D N 0.648 120.992 120.400 -0.093 0.000 2.144 122 D HA -0.172 4.468 4.640 -0.000 0.000 0.200 122 D C 1.933 177.849 176.300 -0.640 0.000 0.978 122 D CA 0.793 54.665 54.000 -0.214 0.000 0.833 122 D CB -0.211 40.555 40.800 -0.057 0.000 0.961 122 D HN 0.407 nan 8.370 nan 0.000 0.470 123 Q N 0.658 119.926 119.800 -0.886 0.000 2.084 123 Q HA -0.126 4.214 4.340 -0.000 0.000 0.202 123 Q C 2.357 178.161 176.000 -0.326 0.000 0.978 123 Q CA 0.899 56.050 55.803 -1.086 0.000 0.844 123 Q CB -0.093 28.336 28.738 -0.515 0.000 0.898 123 Q HN 0.276 nan 8.270 nan 0.000 0.426 124 L N -0.022 121.146 121.223 -0.092 0.000 2.141 124 L HA -0.117 4.223 4.340 -0.000 0.000 0.209 124 L C 2.689 179.680 176.870 0.202 0.000 1.094 124 L CA 0.942 55.846 54.840 0.106 0.000 0.763 124 L CB -0.368 41.795 42.059 0.172 0.000 0.908 124 L HN 0.203 nan 8.230 nan 0.000 0.437 125 R N -0.641 119.917 120.500 0.096 0.000 2.092 125 R HA -0.154 4.186 4.340 -0.000 0.000 0.231 125 R C 2.278 178.597 176.300 0.031 0.000 1.119 125 R CA 1.414 57.499 56.100 -0.026 0.000 0.970 125 R CB -0.380 29.812 30.300 -0.180 0.000 0.864 125 R HN 0.179 nan 8.270 nan 0.000 0.440 126 F N 1.426 121.320 119.950 -0.093 0.000 2.075 126 F HA -0.210 4.317 4.527 -0.000 0.000 0.297 126 F C 2.344 178.159 175.800 0.025 0.000 1.113 126 F CA 1.603 59.607 58.000 0.006 0.000 1.218 126 F CB -0.334 38.726 39.000 0.100 0.000 0.984 126 F HN -0.005 nan 8.300 nan 0.000 0.472 127 A N 0.376 123.348 122.820 0.253 0.000 1.883 127 A HA -0.147 4.173 4.320 -0.000 0.000 0.217 127 A C 2.394 179.992 177.584 0.022 0.000 1.186 127 A CA 2.021 54.151 52.037 0.154 0.000 0.624 127 A CB -1.640 17.448 19.000 0.147 0.000 0.822 127 A HN 0.525 nan 8.150 nan 0.000 0.444 128 A N -1.197 121.647 122.820 0.041 0.000 1.908 128 A HA -0.244 4.076 4.320 -0.000 0.000 0.218 128 A C 2.428 179.976 177.584 -0.059 0.000 1.181 128 A CA 1.813 53.861 52.037 0.020 0.000 0.627 128 A CB -1.454 17.603 19.000 0.094 0.000 0.818 128 A HN 0.812 nan 8.150 nan 0.000 0.445 129 C N -0.926 118.306 119.300 -0.113 0.000 2.425 129 C HA -0.004 4.456 4.460 -0.000 0.000 0.277 129 C C 2.546 177.400 174.990 -0.226 0.000 1.280 129 C CA 1.068 59.982 59.018 -0.174 0.000 1.744 129 C CB -1.536 26.066 27.740 -0.229 0.000 1.989 129 C HN 0.646 nan 8.230 nan 0.000 0.491 130 L N 0.276 121.322 121.223 -0.295 0.000 2.056 130 L HA -0.054 4.286 4.340 -0.000 0.000 0.207 130 L C 2.397 179.102 176.870 -0.274 0.000 1.078 130 L CA 1.886 56.533 54.840 -0.322 0.000 0.749 130 L CB -0.434 41.438 42.059 -0.313 0.000 0.901 130 L HN 0.355 nan 8.230 nan 0.000 0.433 131 I N -1.027 119.428 120.570 -0.193 0.000 2.226 131 I HA -0.311 3.859 4.170 -0.000 0.000 0.245 131 I C 2.750 178.787 176.117 -0.133 0.000 1.100 131 I CA 1.424 62.630 61.300 -0.158 0.000 1.374 131 I CB -0.449 37.505 38.000 -0.077 0.000 1.057 131 I HN 0.307 nan 8.210 nan 0.000 0.413 132 S N 0.872 116.510 115.700 -0.104 0.000 2.370 132 S HA -0.160 4.310 4.470 -0.000 0.000 0.226 132 S C 2.122 176.682 174.600 -0.067 0.000 1.033 132 S CA 1.729 59.884 58.200 -0.075 0.000 1.011 132 S CB -0.647 62.515 63.200 -0.063 0.000 0.852 132 S HN 0.576 nan 8.310 nan 0.000 0.457 133 G N 0.450 109.199 108.800 -0.084 0.000 2.432 133 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.219 133 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.219 133 G C 1.446 176.335 174.900 -0.019 0.000 1.135 133 G CA 1.054 46.139 45.100 -0.025 0.000 0.767 133 G HN 0.483 nan 8.290 nan 0.000 0.550 134 V N 0.837 120.676 119.914 -0.126 0.000 2.427 134 V HA -0.064 4.055 4.120 -0.000 0.000 0.248 134 V C 2.865 178.835 176.094 -0.207 0.000 1.051 134 V CA 1.215 63.409 62.300 -0.177 0.000 1.048 134 V CB -0.295 31.360 31.823 -0.281 0.000 0.666 134 V HN 0.351 nan 8.190 nan 0.000 0.456 135 L N -0.508 120.621 121.223 -0.156 0.000 2.093 135 L HA -0.122 4.218 4.340 -0.000 0.000 0.208 135 L C 2.600 179.425 176.870 -0.074 0.000 1.085 135 L CA 1.397 56.157 54.840 -0.134 0.000 0.755 135 L CB -0.634 41.372 42.059 -0.089 0.000 0.904 135 L HN 0.277 nan 8.230 nan 0.000 0.435 136 S N -1.051 114.641 115.700 -0.013 0.000 2.355 136 S HA -0.208 4.262 4.470 -0.000 0.000 0.222 136 S C 1.917 176.542 174.600 0.041 0.000 1.031 136 S CA 1.087 59.310 58.200 0.038 0.000 0.993 136 S CB -0.380 62.888 63.200 0.113 0.000 0.859 136 S HN 0.363 nan 8.310 nan 0.000 0.453 137 Y N 2.259 122.525 120.300 -0.058 0.000 2.165 137 Y HA -0.127 4.422 4.550 -0.000 0.000 0.286 137 Y C 2.343 178.181 175.900 -0.104 0.000 1.155 137 Y CA 1.824 59.851 58.100 -0.122 0.000 1.164 137 Y CB -0.181 38.219 38.460 -0.099 0.000 0.978 137 Y HN 0.083 nan 8.280 nan 0.000 0.513 138 K N -1.013 119.355 120.400 -0.055 0.000 2.209 138 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 138 K C 1.852 178.373 176.600 -0.131 0.000 1.048 138 K CA 1.634 57.848 56.287 -0.121 0.000 0.940 138 K CB -0.120 32.197 32.500 -0.305 0.000 0.729 138 K HN 0.286 nan 8.250 nan 0.000 0.451 139 T N 1.485 115.965 114.554 -0.124 0.000 2.777 139 T HA -0.051 4.299 4.350 -0.000 0.000 0.266 139 T C 1.678 176.291 174.700 -0.144 0.000 1.040 139 T CA 0.905 62.943 62.100 -0.103 0.000 1.141 139 T CB -0.025 68.806 68.868 -0.062 0.000 0.868 139 T HN 0.158 nan 8.240 nan 0.000 0.444 140 L N 0.401 121.498 121.223 -0.210 0.000 2.046 140 L HA -0.065 4.275 4.340 -0.000 0.000 0.208 140 L C 2.445 179.128 176.870 -0.311 0.000 1.077 140 L CA 1.112 55.795 54.840 -0.262 0.000 0.747 140 L CB -0.549 41.283 42.059 -0.379 0.000 0.896 140 L HN 0.271 nan 8.230 nan 0.000 0.432 141 L N -0.514 120.488 121.223 -0.369 0.000 1.973 141 L HA -0.232 4.108 4.340 -0.000 0.000 0.208 141 L C 2.347 179.064 176.870 -0.255 0.000 1.073 141 L CA 1.317 55.961 54.840 -0.326 0.000 0.746 141 L CB -0.700 41.203 42.059 -0.262 0.000 0.891 141 L HN 0.297 nan 8.230 nan 0.000 0.433 142 D N -0.160 120.130 120.400 -0.184 0.000 2.203 142 D HA -0.183 4.457 4.640 -0.000 0.000 0.199 142 D C 2.012 178.149 176.300 -0.273 0.000 0.997 142 D CA 1.879 55.768 54.000 -0.184 0.000 0.863 142 D CB -0.136 40.615 40.800 -0.082 0.000 0.928 142 D HN 0.385 nan 8.370 nan 0.000 0.458 143 S N -1.039 114.529 115.700 -0.221 0.000 2.597 143 S HA 0.028 4.498 4.470 -0.000 0.000 0.224 143 S C -0.016 174.504 174.600 -0.133 0.000 0.955 143 S CA -0.400 57.726 58.200 -0.122 0.000 0.933 143 S CB -0.445 62.726 63.200 -0.050 0.000 0.788 143 S HN 0.250 nan 8.310 nan 0.000 0.488 144 H N 0.531 119.461 119.070 -0.233 0.000 2.677 144 H HA -0.130 4.426 4.556 -0.000 0.000 0.321 144 H C 0.607 175.826 175.328 -0.181 0.000 1.171 144 H CA 0.695 56.552 56.048 -0.318 0.000 1.139 144 H CB -2.241 27.004 29.762 -0.863 0.000 1.515 144 H HN 0.443 nan 8.280 nan 0.000 0.423 145 S N -0.666 114.977 115.700 -0.095 0.000 2.539 145 S HA 0.127 4.597 4.470 -0.000 0.000 0.221 145 S C 0.656 175.193 174.600 -0.106 0.000 0.987 145 S CA -0.546 57.614 58.200 -0.067 0.000 0.929 145 S CB 0.629 63.790 63.200 -0.065 0.000 0.832 145 S HN 0.313 nan 8.310 nan 0.000 0.492 146 L N 4.132 125.245 121.223 -0.183 0.000 2.410 146 L HA 0.356 4.696 4.340 -0.000 0.000 0.273 146 L C -2.567 174.210 176.870 -0.155 0.000 1.144 146 L CA -1.696 52.993 54.840 -0.250 0.000 0.863 146 L CB -0.145 41.639 42.059 -0.458 0.000 1.140 146 L HN -0.081 nan 8.230 nan 0.000 0.463 147 P HA 0.135 nan 4.420 nan 0.000 0.268 147 P C -0.822 176.455 177.300 -0.039 0.000 1.205 147 P CA -0.227 62.844 63.100 -0.047 0.000 0.771 147 P CB 0.299 31.982 31.700 -0.028 0.000 0.858 148 T N 2.780 117.362 114.554 0.047 0.000 2.888 148 T HA 0.062 4.412 4.350 -0.000 0.000 0.301 148 T C 0.152 174.966 174.700 0.189 0.000 1.001 148 T CA -0.041 62.132 62.100 0.121 0.000 1.147 148 T CB -0.092 68.908 68.868 0.220 0.000 0.931 148 T HN 0.335 nan 8.240 nan 0.000 0.541 149 D N 1.665 122.163 120.400 0.163 0.000 2.382 149 D HA 0.148 4.787 4.640 -0.000 0.000 0.245 149 D C -0.493 175.977 176.300 0.283 0.000 1.120 149 D CA 0.149 54.267 54.000 0.197 0.000 0.890 149 D CB 0.715 41.615 40.800 0.167 0.000 1.201 149 D HN 0.455 nan 8.370 nan 0.000 0.433 150 W N 0.562 121.874 121.300 0.021 0.000 2.666 150 W HA 0.528 5.187 4.660 -0.000 0.000 0.334 150 W C -0.417 176.108 176.519 0.010 0.000 1.051 150 W CA -0.782 56.570 57.345 0.012 0.000 1.224 150 W CB 1.533 30.999 29.460 0.010 0.000 1.405 150 W HN 0.279 nan 8.180 nan 0.000 0.513 151 A N 4.081 126.886 122.820 -0.025 0.000 2.260 151 A HA 0.531 4.851 4.320 -0.000 0.000 0.314 151 A C -0.279 177.331 177.584 0.043 0.000 1.257 151 A CA -0.734 51.295 52.037 -0.014 0.000 0.871 151 A CB 0.311 19.240 19.000 -0.118 0.000 1.166 151 A HN 0.582 nan 8.150 nan 0.000 0.522 152 K N 1.364 121.819 120.400 0.092 0.000 2.401 152 K HA 0.423 4.743 4.320 -0.000 0.000 0.278 152 K C 0.486 177.119 176.600 0.057 0.000 1.018 152 K CA 0.474 56.825 56.287 0.106 0.000 0.981 152 K CB 1.031 33.587 32.500 0.093 0.000 0.933 152 K HN 0.793 nan 8.250 nan 0.000 0.477 153 G N 0.966 109.804 108.800 0.063 0.000 2.680 153 G HA2 0.120 4.080 3.960 -0.000 0.000 0.290 153 G HA3 0.120 4.080 3.960 -0.000 0.000 0.290 153 G C -0.022 174.904 174.900 0.044 0.000 1.355 153 G CA -0.423 44.698 45.100 0.035 0.000 0.903 153 G HN 0.501 nan 8.290 nan 0.000 0.474 154 Q N -0.565 119.255 119.800 0.033 0.000 2.020 154 Q HA 0.090 4.429 4.340 -0.000 0.000 0.202 154 Q C 2.341 178.363 176.000 0.036 0.000 0.982 154 Q CA 1.638 57.461 55.803 0.033 0.000 0.838 154 Q CB -0.202 28.552 28.738 0.026 0.000 0.899 154 Q HN 0.520 nan 8.270 nan 0.000 0.423 155 L N -0.957 120.286 121.223 0.034 0.000 2.513 155 L HA 0.272 4.612 4.340 -0.000 0.000 0.222 155 L C 0.374 177.276 176.870 0.052 0.000 1.096 155 L CA 0.241 55.103 54.840 0.037 0.000 0.857 155 L CB 0.336 42.412 42.059 0.028 0.000 1.026 155 L HN 0.146 nan 8.230 nan 0.000 0.469 156 S N -2.034 113.702 115.700 0.061 0.000 2.660 156 S HA 0.620 5.090 4.470 -0.000 0.000 0.264 156 S C -0.584 174.076 174.600 0.101 0.000 1.131 156 S CA -0.369 57.892 58.200 0.102 0.000 0.846 156 S CB 1.165 64.417 63.200 0.087 0.000 1.151 156 S HN -0.001 nan 8.310 nan 0.000 0.486 157 G N -0.420 108.492 108.800 0.188 0.000 3.013 157 G HA2 0.788 4.748 3.960 -0.000 0.000 0.278 157 G HA3 0.788 4.748 3.960 -0.000 0.000 0.278 157 G C -1.512 173.021 174.900 -0.612 0.000 1.353 157 G CA -0.746 44.371 45.100 0.028 0.000 1.043 157 G HN 1.154 nan 8.290 nan 0.000 0.523 158 Q N -1.300 117.821 119.800 -1.133 0.000 2.472 158 Q HA 0.493 4.833 4.340 -0.000 0.000 0.281 158 Q C -3.150 171.986 176.000 -1.441 0.000 0.997 158 Q CA -1.850 53.181 55.803 -1.286 0.000 0.828 158 Q CB 2.319 30.701 28.738 -0.593 0.000 1.443 158 Q HN 0.291 nan 8.270 nan 0.000 0.390 159 P HA 0.195 nan 4.420 nan 0.000 0.272 159 P C -0.846 176.251 177.300 -0.339 0.000 1.223 159 P CA -0.110 62.623 63.100 -0.612 0.000 0.784 159 P CB 0.557 32.146 31.700 -0.186 0.000 0.923 160 L N 0.837 121.968 121.223 -0.153 0.000 2.319 160 L HA 0.449 4.789 4.340 -0.000 0.000 0.267 160 L C 0.487 177.363 176.870 0.010 0.000 1.011 160 L CA -1.150 53.640 54.840 -0.084 0.000 0.818 160 L CB 1.843 43.885 42.059 -0.029 0.000 1.316 160 L HN 0.438 nan 8.230 nan 0.000 0.432 161 C N 2.770 122.082 119.300 0.018 0.000 2.642 161 C HA 0.101 4.561 4.460 -0.000 0.000 0.420 161 C C 1.344 176.428 174.990 0.158 0.000 1.349 161 C CA -0.171 58.894 59.018 0.079 0.000 1.821 161 C CB -0.054 27.721 27.740 0.057 0.000 2.637 161 C HN 0.743 nan 8.230 nan 0.000 0.605 162 M N 4.799 124.536 119.600 0.229 0.000 2.313 162 M HA 0.105 4.585 4.480 -0.000 0.000 0.273 162 M C 1.834 178.393 176.300 0.430 0.000 1.049 162 M CA 0.193 55.710 55.300 0.362 0.000 1.004 162 M CB -0.538 32.263 32.600 0.336 0.000 1.461 162 M HN 0.704 nan 8.290 nan 0.000 0.514 163 K N 1.039 121.633 120.400 0.324 0.000 2.089 163 K HA -0.190 4.130 4.320 -0.000 0.000 0.210 163 K C 1.668 178.434 176.600 0.277 0.000 1.048 163 K CA 1.506 57.988 56.287 0.326 0.000 0.926 163 K CB -0.342 32.274 32.500 0.194 0.000 0.714 163 K HN 0.547 nan 8.250 nan 0.000 0.448 164 Q N -0.465 119.425 119.800 0.149 0.000 2.135 164 Q HA -0.178 4.162 4.340 -0.000 0.000 0.204 164 Q C 2.023 177.973 176.000 -0.083 0.000 0.981 164 Q CA 1.580 57.413 55.803 0.051 0.000 0.856 164 Q CB -0.296 28.413 28.738 -0.048 0.000 0.902 164 Q HN 0.405 nan 8.270 nan 0.000 0.425 165 Y N -1.179 119.043 120.300 -0.131 0.000 2.224 165 Y HA -0.210 4.340 4.550 -0.000 0.000 0.289 165 Y C 1.328 176.990 175.900 -0.397 0.000 1.146 165 Y CA 1.092 58.981 58.100 -0.352 0.000 1.182 165 Y CB -0.183 37.977 38.460 -0.501 0.000 0.983 165 Y HN 0.186 nan 8.280 nan 0.000 0.524 166 Y N -0.725 119.647 120.300 0.120 0.000 2.519 166 Y HA 0.065 4.615 4.550 -0.000 0.000 0.311 166 Y C 1.503 177.450 175.900 0.079 0.000 1.207 166 Y CA 0.347 58.490 58.100 0.072 0.000 1.289 166 Y CB -0.133 38.361 38.460 0.057 0.000 1.059 166 Y HN -0.014 nan 8.280 nan 0.000 0.507 167 R N -1.046 119.543 120.500 0.149 0.000 2.509 167 R HA 0.209 4.549 4.340 -0.000 0.000 0.297 167 R C 1.427 177.810 176.300 0.139 0.000 0.951 167 R CA 0.005 56.213 56.100 0.180 0.000 1.103 167 R CB 0.222 30.658 30.300 0.227 0.000 1.283 167 R HN 0.396 nan 8.270 nan 0.000 0.534 168 L N -0.229 120.906 121.223 -0.147 0.000 2.042 168 L HA -0.115 4.224 4.340 -0.000 0.000 0.210 168 L C 1.164 177.744 176.870 -0.483 0.000 1.076 168 L CA 1.965 56.467 54.840 -0.563 0.000 0.749 168 L CB -0.093 41.280 42.059 -1.144 0.000 0.893 168 L HN 0.174 nan 8.230 nan 0.000 0.432 169 F N -2.380 117.643 119.950 0.122 0.000 2.728 169 F HA 0.086 4.613 4.527 -0.000 0.000 0.314 169 F C 1.758 177.630 175.800 0.120 0.000 1.094 169 F CA -0.060 58.014 58.000 0.123 0.000 1.217 169 F CB 0.228 39.288 39.000 0.099 0.000 1.056 169 F HN -0.042 nan 8.300 nan 0.000 0.577 170 S N -1.280 114.575 115.700 0.258 0.000 2.601 170 S HA 0.332 4.802 4.470 -0.000 0.000 0.244 170 S C 0.119 174.833 174.600 0.190 0.000 1.001 170 S CA -0.359 57.965 58.200 0.206 0.000 0.984 170 S CB -0.140 63.172 63.200 0.186 0.000 0.842 170 S HN -0.040 nan 8.310 nan 0.000 0.474 171 S N 1.127 116.948 115.700 0.203 0.000 2.532 171 S HA 0.717 5.187 4.470 -0.000 0.000 0.301 171 S C -1.510 173.235 174.600 0.241 0.000 1.083 171 S CA -0.614 57.700 58.200 0.191 0.000 1.025 171 S CB 1.377 64.661 63.200 0.141 0.000 1.056 171 S HN 0.527 nan 8.310 nan 0.000 0.494 172 Y N 1.502 121.858 120.300 0.094 0.000 2.479 172 Y HA 0.488 5.038 4.550 -0.000 0.000 0.338 172 Y C -0.616 175.342 175.900 0.097 0.000 1.055 172 Y CA -0.739 57.428 58.100 0.112 0.000 1.023 172 Y CB 1.237 39.772 38.460 0.125 0.000 1.287 172 Y HN 0.651 nan 8.280 nan 0.000 0.447 173 R N 6.547 126.792 120.500 -0.425 0.000 2.233 173 R HA 0.419 4.758 4.340 -0.000 0.000 0.334 173 R C -1.692 174.497 176.300 -0.186 0.000 1.037 173 R CA -0.718 55.254 56.100 -0.213 0.000 0.920 173 R CB 0.293 30.486 30.300 -0.179 0.000 1.137 173 R HN 0.670 nan 8.270 nan 0.000 0.492 174 L N 7.272 128.544 121.223 0.083 0.000 2.360 174 L HA 0.323 4.663 4.340 -0.000 0.000 0.276 174 L C -1.976 174.912 176.870 0.030 0.000 1.121 174 L CA -1.902 53.042 54.840 0.174 0.000 0.845 174 L CB 0.949 43.127 42.059 0.198 0.000 1.143 174 L HN 0.561 nan 8.230 nan 0.000 0.452 175 P HA 0.313 nan 4.420 nan 0.000 0.278 175 P C -0.607 176.625 177.300 -0.114 0.000 1.238 175 P CA -0.372 62.671 63.100 -0.095 0.000 0.794 175 P CB 1.426 32.995 31.700 -0.219 0.000 0.955 176 G N 1.093 109.835 108.800 -0.098 0.000 2.533 176 G HA2 0.345 4.305 3.960 -0.000 0.000 0.304 176 G HA3 0.345 4.305 3.960 -0.000 0.000 0.304 176 G C 1.014 175.836 174.900 -0.129 0.000 1.263 176 G CA -0.494 44.532 45.100 -0.122 0.000 0.964 176 G HN 0.645 nan 8.290 nan 0.000 0.479 177 H N -0.932 118.103 119.070 -0.057 0.000 2.387 177 H HA -0.128 4.427 4.556 -0.000 0.000 0.299 177 H C 1.647 176.951 175.328 -0.039 0.000 1.099 177 H CA 2.090 58.108 56.048 -0.050 0.000 1.315 177 H CB -0.462 29.274 29.762 -0.043 0.000 1.380 177 H HN 0.556 nan 8.280 nan 0.000 0.513 178 T N -3.586 110.719 114.554 -0.416 0.000 2.964 178 T HA 0.155 4.505 4.350 -0.000 0.000 0.250 178 T C 0.785 175.373 174.700 -0.187 0.000 0.982 178 T CA -0.269 61.705 62.100 -0.209 0.000 0.959 178 T CB 0.742 69.519 68.868 -0.151 0.000 1.141 178 T HN 0.320 nan 8.240 nan 0.000 0.494 179 Q N 0.669 120.322 119.800 -0.244 0.000 2.289 179 Q HA 0.438 4.778 4.340 -0.000 0.000 0.270 179 Q C -1.847 174.077 176.000 -0.127 0.000 1.038 179 Q CA -0.692 55.021 55.803 -0.149 0.000 0.812 179 Q CB 2.022 30.688 28.738 -0.121 0.000 1.300 179 Q HN 0.135 nan 8.270 nan 0.000 0.427 180 D N 1.077 121.430 120.400 -0.078 0.000 2.411 180 D HA 0.404 5.044 4.640 -0.000 0.000 0.251 180 D C -0.749 175.536 176.300 -0.025 0.000 1.201 180 D CA 0.261 54.232 54.000 -0.049 0.000 0.996 180 D CB 1.254 42.034 40.800 -0.033 0.000 1.101 180 D HN 0.382 nan 8.370 nan 0.000 0.504 181 T N 0.784 115.339 114.554 0.002 0.000 2.881 181 T HA 0.364 4.714 4.350 -0.000 0.000 0.290 181 T C -0.882 173.847 174.700 0.050 0.000 1.000 181 T CA -0.609 61.507 62.100 0.028 0.000 0.978 181 T CB 1.192 70.085 68.868 0.041 0.000 0.997 181 T HN 0.101 nan 8.240 nan 0.000 0.443 182 L N 5.078 126.332 121.223 0.051 0.000 2.261 182 L HA 0.580 4.919 4.340 -0.000 0.000 0.289 182 L C -0.761 176.165 176.870 0.094 0.000 1.059 182 L CA -0.268 54.609 54.840 0.062 0.000 0.816 182 L CB 0.389 42.479 42.059 0.051 0.000 1.191 182 L HN 0.442 nan 8.230 nan 0.000 0.431 183 V N 5.367 125.364 119.914 0.137 0.000 2.407 183 V HA 0.651 4.771 4.120 -0.000 0.000 0.278 183 V C 0.546 176.727 176.094 0.145 0.000 1.037 183 V CA -0.524 61.864 62.300 0.147 0.000 0.900 183 V CB 1.126 33.063 31.823 0.189 0.000 0.983 183 V HN 0.932 nan 8.190 nan 0.000 0.459 184 A N 4.214 127.105 122.820 0.118 0.000 2.269 184 A HA 0.395 4.715 4.320 -0.000 0.000 0.302 184 A C 0.215 177.865 177.584 0.110 0.000 1.266 184 A CA -0.389 51.720 52.037 0.119 0.000 0.894 184 A CB 0.133 19.197 19.000 0.107 0.000 1.147 184 A HN 0.878 nan 8.150 nan 0.000 0.537 185 Q N 1.394 121.266 119.800 0.119 0.000 2.339 185 Q HA -0.071 4.269 4.340 -0.000 0.000 0.308 185 Q C 0.091 176.140 176.000 0.081 0.000 1.097 185 Q CA 0.466 56.328 55.803 0.097 0.000 1.007 185 Q CB 0.201 28.999 28.738 0.101 0.000 1.051 185 Q HN 0.524 nan 8.270 nan 0.000 0.381 186 K N 2.352 122.791 120.400 0.065 0.000 2.199 186 K HA -0.009 4.311 4.320 -0.000 0.000 0.226 186 K C -0.070 176.563 176.600 0.054 0.000 1.237 186 K CA 0.118 56.439 56.287 0.057 0.000 1.170 186 K CB -0.307 32.221 32.500 0.046 0.000 1.418 186 K HN 0.504 nan 8.250 nan 0.000 0.255 187 S N 0.373 116.109 115.700 0.061 0.000 3.227 187 S HA 0.026 4.496 4.470 -0.000 0.000 0.249 187 S C 0.535 175.167 174.600 0.053 0.000 1.322 187 S CA -0.346 57.889 58.200 0.058 0.000 1.253 187 S CB 0.158 63.397 63.200 0.065 0.000 1.076 187 S HN 0.336 nan 8.310 nan 0.000 0.471 188 S N 0.859 116.587 115.700 0.047 0.000 2.517 188 S HA 0.316 4.786 4.470 -0.000 0.000 0.214 188 S C 0.635 175.257 174.600 0.037 0.000 0.991 188 S CA -0.385 57.840 58.200 0.042 0.000 0.906 188 S CB -0.150 63.073 63.200 0.039 0.000 0.789 188 S HN 0.657 nan 8.310 nan 0.000 0.513 189 I N 2.852 123.444 120.570 0.037 0.000 2.496 189 I HA 0.091 4.261 4.170 -0.000 0.000 0.285 189 I C 0.639 176.777 176.117 0.034 0.000 1.080 189 I CA -0.183 61.137 61.300 0.033 0.000 1.404 189 I CB 0.506 38.525 38.000 0.032 0.000 1.403 189 I HN 0.109 nan 8.210 nan 0.000 0.539 190 M N 7.332 126.951 119.600 0.031 0.000 2.206 190 M HA 0.070 4.550 4.480 -0.000 0.000 0.288 190 M C -1.903 174.418 176.300 0.035 0.000 1.126 190 M CA -0.989 54.330 55.300 0.032 0.000 1.152 190 M CB -0.611 32.006 32.600 0.028 0.000 1.383 190 M HN 0.344 nan 8.290 nan 0.000 0.437 191 P HA -0.042 nan 4.420 nan 0.000 0.258 191 P C -1.000 176.322 177.300 0.036 0.000 1.172 191 P CA 0.895 64.018 63.100 0.039 0.000 0.762 191 P CB 0.466 32.191 31.700 0.043 0.000 0.764 192 E N 3.332 123.556 120.200 0.039 0.000 2.450 192 E HA 0.442 4.792 4.350 -0.000 0.000 0.272 192 E C -2.544 174.083 176.600 0.046 0.000 0.967 192 E CA -2.084 54.339 56.400 0.037 0.000 0.818 192 E CB 0.258 29.981 29.700 0.038 0.000 1.401 192 E HN 0.252 nan 8.360 nan 0.000 0.450 193 P HA 0.127 nan 4.420 nan 0.000 0.269 193 P C -0.654 176.726 177.300 0.133 0.000 1.263 193 P CA 0.312 63.448 63.100 0.061 0.000 0.813 193 P CB 0.280 31.997 31.700 0.029 0.000 0.868 194 E N 3.409 123.670 120.200 0.101 0.000 2.383 194 E HA 0.163 4.513 4.350 -0.000 0.000 0.264 194 E C 0.340 177.022 176.600 0.138 0.000 1.050 194 E CA -0.101 56.352 56.400 0.088 0.000 0.896 194 E CB 0.568 30.275 29.700 0.012 0.000 0.982 194 E HN 0.639 nan 8.360 nan 0.000 0.424 195 H N -1.674 117.401 119.070 0.007 0.000 3.017 195 H HA 0.507 5.063 4.556 -0.000 0.000 0.346 195 H C -1.019 174.327 175.328 0.030 0.000 1.286 195 H CA -0.996 55.059 56.048 0.013 0.000 1.120 195 H CB 0.606 30.374 29.762 0.010 0.000 1.860 195 H HN 0.307 nan 8.280 nan 0.000 0.542 196 V N -0.324 119.645 119.914 0.092 0.000 2.919 196 V HA 0.593 4.713 4.120 -0.000 0.000 0.316 196 V C -0.454 175.756 176.094 0.194 0.000 1.077 196 V CA -1.026 61.322 62.300 0.079 0.000 0.977 196 V CB 2.031 33.903 31.823 0.082 0.000 1.039 196 V HN 0.602 nan 8.190 nan 0.000 0.441 197 I N 2.677 123.363 120.570 0.193 0.000 2.377 197 I HA 0.497 4.667 4.170 -0.000 0.000 0.293 197 I C -0.294 175.981 176.117 0.263 0.000 0.987 197 I CA -0.543 60.901 61.300 0.239 0.000 1.185 197 I CB 1.648 39.767 38.000 0.198 0.000 1.341 197 I HN 0.486 nan 8.210 nan 0.000 0.455 198 V N 5.715 125.802 119.914 0.288 0.000 2.384 198 V HA 0.603 4.722 4.120 -0.000 0.000 0.287 198 V C 0.403 176.670 176.094 0.289 0.000 1.020 198 V CA -0.693 61.754 62.300 0.246 0.000 0.850 198 V CB 1.587 33.506 31.823 0.159 0.000 0.987 198 V HN 0.858 nan 8.190 nan 0.000 0.436 199 A N 4.185 127.128 122.820 0.206 0.000 2.276 199 A HA 0.717 5.037 4.320 -0.000 0.000 0.316 199 A C -0.472 177.118 177.584 0.010 0.000 1.229 199 A CA -0.362 51.693 52.037 0.030 0.000 0.851 199 A CB 0.906 19.931 19.000 0.040 0.000 1.165 199 A HN 0.955 nan 8.150 nan 0.000 0.513 200 C N 2.262 121.553 119.300 -0.015 0.000 2.752 200 C HA 0.476 4.935 4.460 -0.000 0.000 0.360 200 C C 0.552 175.546 174.990 0.006 0.000 1.081 200 C CA 0.253 59.276 59.018 0.009 0.000 1.272 200 C CB -0.524 27.221 27.740 0.009 0.000 1.754 200 C HN 1.511 nan 8.230 nan 0.000 0.483 201 C N 5.489 124.785 119.300 -0.005 0.000 4.274 201 C HA -0.140 4.320 4.460 -0.000 0.000 0.297 201 C C 0.941 175.913 174.990 -0.030 0.000 1.446 201 C CA 1.304 60.323 59.018 0.002 0.000 2.016 201 C CB -2.882 24.877 27.740 0.032 0.000 1.273 201 C HN 1.108 nan 8.230 nan 0.000 0.782 202 N N -2.379 116.257 118.700 -0.106 0.000 2.909 202 N HA -0.155 4.585 4.740 -0.000 0.000 0.242 202 N C -0.165 175.153 175.510 -0.320 0.000 0.975 202 N CA 1.779 54.716 53.050 -0.189 0.000 0.921 202 N CB -0.475 37.981 38.487 -0.052 0.000 1.112 202 N HN 0.807 nan 8.380 nan 0.000 0.581 203 Q N -0.231 119.422 119.800 -0.246 0.000 2.235 203 Q HA 0.555 4.895 4.340 -0.000 0.000 0.256 203 Q C -0.177 175.627 176.000 -0.327 0.000 0.951 203 Q CA -0.109 55.600 55.803 -0.156 0.000 0.890 203 Q CB 0.728 29.519 28.738 0.089 0.000 1.279 203 Q HN 0.159 nan 8.270 nan 0.000 0.444 204 F N 1.391 121.382 119.950 0.069 0.000 2.469 204 F HA 0.526 5.053 4.527 -0.000 0.000 0.332 204 F C -0.401 175.278 175.800 -0.202 0.000 1.103 204 F CA -0.665 57.384 58.000 0.083 0.000 0.979 204 F CB 1.107 40.185 39.000 0.130 0.000 1.137 204 F HN 0.322 nan 8.300 nan 0.000 0.463 205 F N 1.424 121.489 119.950 0.190 0.000 2.551 205 F HA 0.605 5.132 4.527 -0.000 0.000 0.316 205 F C -0.498 175.348 175.800 0.076 0.000 1.089 205 F CA -1.302 56.751 58.000 0.088 0.000 0.915 205 F CB 1.776 40.804 39.000 0.047 0.000 1.186 205 F HN -0.003 nan 8.300 nan 0.000 0.456 206 V N 4.165 124.187 119.914 0.179 0.000 2.432 206 V HA 0.290 4.410 4.120 -0.000 0.000 0.271 206 V C -0.652 175.514 176.094 0.120 0.000 1.046 206 V CA -0.440 61.915 62.300 0.092 0.000 0.945 206 V CB 1.250 33.020 31.823 -0.089 0.000 0.992 206 V HN 0.493 nan 8.190 nan 0.000 0.471 207 L N 5.443 126.753 121.223 0.146 0.000 2.324 207 L HA 0.570 4.910 4.340 -0.000 0.000 0.274 207 L C -0.303 176.636 176.870 0.116 0.000 1.012 207 L CA -0.176 54.728 54.840 0.107 0.000 0.859 207 L CB 1.106 43.222 42.059 0.096 0.000 1.224 207 L HN 0.527 nan 8.230 nan 0.000 0.429 208 D N 3.833 124.278 120.400 0.076 0.000 2.383 208 D HA 0.080 4.720 4.640 -0.000 0.000 0.252 208 D C 1.253 177.583 176.300 0.049 0.000 1.166 208 D CA 0.244 54.289 54.000 0.076 0.000 0.879 208 D CB 1.961 42.779 40.800 0.030 0.000 1.164 208 D HN 0.486 nan 8.370 nan 0.000 0.462 209 V N 0.359 120.302 119.914 0.049 0.000 3.650 209 V HA 0.088 4.208 4.120 -0.000 0.000 0.271 209 V C 0.565 176.663 176.094 0.007 0.000 1.281 209 V CA -0.016 62.294 62.300 0.017 0.000 1.120 209 V CB -0.250 31.572 31.823 -0.001 0.000 0.856 209 V HN 0.346 nan 8.190 nan 0.000 0.443 210 V N -1.683 118.239 119.914 0.013 0.000 2.686 210 V HA 0.723 4.843 4.120 -0.000 0.000 0.306 210 V C -0.946 175.141 176.094 -0.012 0.000 1.065 210 V CA -0.785 61.517 62.300 0.003 0.000 0.894 210 V CB 2.013 33.845 31.823 0.015 0.000 1.004 210 V HN 0.148 nan 8.190 nan 0.000 0.424 211 I N 4.166 124.711 120.570 -0.041 0.000 2.503 211 I HA 0.581 4.751 4.170 -0.000 0.000 0.282 211 I C 0.145 176.180 176.117 -0.137 0.000 1.059 211 I CA -0.053 61.206 61.300 -0.070 0.000 1.081 211 I CB 1.590 39.549 38.000 -0.069 0.000 1.210 211 I HN 0.993 nan 8.210 nan 0.000 0.450 212 N N 3.432 122.056 118.700 -0.127 0.000 1.379 212 N HA -0.266 4.474 4.740 -0.000 0.000 0.188 212 N C 0.112 175.554 175.510 -0.113 0.000 0.891 212 N CA 1.969 54.895 53.050 -0.207 0.000 1.125 212 N CB -0.729 37.475 38.487 -0.471 0.000 1.497 212 N HN 0.605 nan 8.380 nan 0.000 0.461 213 F N 0.198 120.150 119.950 0.002 0.000 2.668 213 F HA 0.534 5.061 4.527 -0.000 0.000 0.297 213 F C 0.608 176.408 175.800 -0.000 0.000 1.124 213 F CA -0.195 57.806 58.000 0.002 0.000 1.353 213 F CB -0.213 38.788 39.000 0.002 0.000 0.992 213 F HN 0.238 nan 8.300 nan 0.000 0.524 214 R N 1.746 122.227 120.500 -0.032 0.000 2.589 214 R HA 0.506 4.846 4.340 -0.000 0.000 0.293 214 R C -0.612 175.692 176.300 0.007 0.000 0.963 214 R CA -0.872 55.233 56.100 0.009 0.000 0.905 214 R CB 1.337 31.561 30.300 -0.126 0.000 1.144 214 R HN 0.364 nan 8.270 nan 0.000 0.459 215 R N 5.576 126.093 120.500 0.028 0.000 2.294 215 R HA 0.281 4.621 4.340 -0.000 0.000 0.319 215 R C -0.462 175.838 176.300 0.001 0.000 0.984 215 R CA -0.545 55.562 56.100 0.011 0.000 0.861 215 R CB 0.736 31.045 30.300 0.015 0.000 1.104 215 R HN 0.558 nan 8.270 nan 0.000 0.451 216 L N 3.566 124.785 121.223 -0.007 0.000 2.543 216 L HA 0.010 4.349 4.340 -0.000 0.000 0.285 216 L C 0.815 177.682 176.870 -0.004 0.000 1.236 216 L CA 0.221 55.056 54.840 -0.007 0.000 0.871 216 L CB 0.534 42.590 42.059 -0.005 0.000 1.121 216 L HN 0.822 nan 8.230 nan 0.000 0.501 217 S N 0.699 116.398 115.700 -0.001 0.000 2.669 217 S HA 0.109 4.579 4.470 -0.000 0.000 0.270 217 S C 0.808 175.410 174.600 0.004 0.000 1.225 217 S CA -0.673 57.527 58.200 -0.001 0.000 0.991 217 S CB 1.689 64.890 63.200 0.001 0.000 0.987 217 S HN 0.725 nan 8.310 nan 0.000 0.552 218 E N 1.194 121.391 120.200 -0.006 0.000 2.118 218 E HA -0.117 4.233 4.350 -0.000 0.000 0.195 218 E C 1.967 178.587 176.600 0.034 0.000 0.992 218 E CA 1.394 57.791 56.400 -0.004 0.000 0.804 218 E CB -0.987 28.692 29.700 -0.035 0.000 0.741 218 E HN 0.890 nan 8.360 nan 0.000 0.458 219 G N 0.740 109.558 108.800 0.030 0.000 2.418 219 G HA2 -0.271 3.689 3.960 -0.000 0.000 0.217 219 G HA3 -0.271 3.689 3.960 -0.000 0.000 0.217 219 G C 1.232 176.204 174.900 0.120 0.000 1.158 219 G CA 0.992 46.138 45.100 0.075 0.000 0.771 219 G HN 0.244 nan 8.290 nan 0.000 0.545 220 D N 0.707 121.144 120.400 0.061 0.000 2.097 220 D HA -0.084 4.556 4.640 -0.000 0.000 0.195 220 D C 2.681 179.004 176.300 0.038 0.000 0.989 220 D CA 0.607 54.630 54.000 0.038 0.000 0.827 220 D CB -0.311 40.496 40.800 0.012 0.000 0.966 220 D HN 0.286 nan 8.370 nan 0.000 0.456 221 L N 0.017 121.267 121.223 0.046 0.000 2.079 221 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 221 L C 2.437 179.344 176.870 0.062 0.000 1.081 221 L CA 0.779 55.642 54.840 0.037 0.000 0.752 221 L CB -0.438 41.640 42.059 0.033 0.000 0.896 221 L HN -0.026 nan 8.230 nan 0.000 0.433 222 F N 0.737 120.662 119.950 -0.041 0.000 2.102 222 F HA -0.224 4.303 4.527 -0.000 0.000 0.298 222 F C 2.478 178.250 175.800 -0.046 0.000 1.105 222 F CA 2.030 60.003 58.000 -0.044 0.000 1.239 222 F CB -0.586 38.389 39.000 -0.042 0.000 0.991 222 F HN -0.088 nan 8.300 nan 0.000 0.474 223 T N 0.557 115.044 114.554 -0.112 0.000 2.746 223 T HA -0.185 4.165 4.350 -0.000 0.000 0.267 223 T C 1.894 176.467 174.700 -0.211 0.000 1.039 223 T CA 1.537 63.512 62.100 -0.209 0.000 1.142 223 T CB -0.205 68.632 68.868 -0.052 0.000 0.866 223 T HN 0.282 nan 8.240 nan 0.000 0.444 224 Q N 0.620 120.341 119.800 -0.131 0.000 2.119 224 Q HA 0.071 4.411 4.340 -0.000 0.000 0.201 224 Q C 2.481 178.381 176.000 -0.168 0.000 0.972 224 Q CA 1.008 56.740 55.803 -0.118 0.000 0.847 224 Q CB -0.568 28.133 28.738 -0.062 0.000 0.903 224 Q HN 0.497 nan 8.270 nan 0.000 0.433 225 L N -0.025 121.091 121.223 -0.179 0.000 2.141 225 L HA -0.137 4.203 4.340 -0.000 0.000 0.209 225 L C 2.660 179.370 176.870 -0.266 0.000 1.094 225 L CA 0.897 55.621 54.840 -0.193 0.000 0.763 225 L CB -0.315 41.668 42.059 -0.125 0.000 0.908 225 L HN 0.139 nan 8.230 nan 0.000 0.437 226 R N 0.331 120.615 120.500 -0.361 0.000 2.096 226 R HA -0.162 4.178 4.340 -0.000 0.000 0.235 226 R C 2.279 178.425 176.300 -0.256 0.000 1.127 226 R CA 1.384 57.269 56.100 -0.358 0.000 0.968 226 R CB 0.026 30.036 30.300 -0.484 0.000 0.861 226 R HN 0.314 nan 8.270 nan 0.000 0.440 227 K N -0.036 120.223 120.400 -0.236 0.000 2.097 227 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 227 K C 2.015 178.454 176.600 -0.269 0.000 1.050 227 K CA 1.146 57.315 56.287 -0.197 0.000 0.938 227 K CB -0.051 32.358 32.500 -0.152 0.000 0.718 227 K HN 0.170 nan 8.250 nan 0.000 0.442 228 I N 0.638 120.984 120.570 -0.374 0.000 2.179 228 I HA -0.277 3.893 4.170 -0.000 0.000 0.242 228 I C 2.133 177.937 176.117 -0.521 0.000 1.088 228 I CA 1.090 61.982 61.300 -0.680 0.000 1.357 228 I CB -0.185 37.428 38.000 -0.645 0.000 1.051 228 I HN -0.064 nan 8.210 nan 0.000 0.409 229 V N 0.869 120.598 119.914 -0.309 0.000 2.407 229 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 229 V C 2.473 178.480 176.094 -0.145 0.000 1.055 229 V CA 1.839 64.023 62.300 -0.193 0.000 1.049 229 V CB -0.658 31.078 31.823 -0.144 0.000 0.662 229 V HN 0.410 nan 8.190 nan 0.000 0.455 230 K N -0.307 120.002 120.400 -0.151 0.000 2.025 230 K HA -0.127 4.193 4.320 -0.000 0.000 0.207 230 K C 2.183 178.746 176.600 -0.061 0.000 1.049 230 K CA 1.583 57.813 56.287 -0.094 0.000 0.933 230 K CB -0.135 32.309 32.500 -0.092 0.000 0.714 230 K HN 0.361 nan 8.250 nan 0.000 0.438 231 M N -0.037 119.514 119.600 -0.082 0.000 2.200 231 M HA -0.053 4.427 4.480 -0.000 0.000 0.265 231 M C 2.271 178.643 176.300 0.120 0.000 1.066 231 M CA 1.351 56.670 55.300 0.033 0.000 1.127 231 M CB -0.069 32.596 32.600 0.108 0.000 1.379 231 M HN 0.243 nan 8.290 nan 0.000 0.420 232 A N -0.412 122.447 122.820 0.066 0.000 1.969 232 A HA -0.081 4.238 4.320 -0.000 0.000 0.218 232 A C 2.231 179.862 177.584 0.078 0.000 1.169 232 A CA 1.668 53.801 52.037 0.160 0.000 0.635 232 A CB -0.598 18.467 19.000 0.108 0.000 0.810 232 A HN 0.411 nan 8.150 nan 0.000 0.445 233 S N 0.174 115.889 115.700 0.025 0.000 2.447 233 S HA -0.072 4.397 4.470 -0.000 0.000 0.233 233 S C 0.929 175.547 174.600 0.029 0.000 1.006 233 S CA 0.402 58.613 58.200 0.019 0.000 0.957 233 S CB -0.486 62.712 63.200 -0.003 0.000 0.773 233 S HN 0.673 nan 8.310 nan 0.000 0.507 234 N N 2.298 121.022 118.700 0.039 0.000 2.416 234 N HA 0.011 4.751 4.740 -0.000 0.000 0.265 234 N C 0.792 176.330 175.510 0.045 0.000 1.195 234 N CA 0.088 53.161 53.050 0.039 0.000 0.943 234 N CB 0.435 38.949 38.487 0.044 0.000 1.115 234 N HN 0.030 nan 8.380 nan 0.000 0.481 235 E N 1.977 122.198 120.200 0.035 0.000 2.274 235 E HA -0.118 4.232 4.350 -0.000 0.000 0.194 235 E C 0.401 177.023 176.600 0.036 0.000 0.996 235 E CA 0.619 57.041 56.400 0.035 0.000 0.840 235 E CB 0.116 29.833 29.700 0.028 0.000 0.772 235 E HN 0.667 nan 8.360 nan 0.000 0.491 236 D N 1.076 121.496 120.400 0.033 0.000 2.218 236 D HA -0.117 4.523 4.640 -0.000 0.000 0.204 236 D C 0.430 176.752 176.300 0.036 0.000 0.976 236 D CA 0.962 54.981 54.000 0.031 0.000 0.853 236 D CB 0.094 40.910 40.800 0.026 0.000 0.939 236 D HN 0.285 nan 8.370 nan 0.000 0.481 237 E N -0.039 120.188 120.200 0.044 0.000 3.575 237 E HA 0.108 4.458 4.350 -0.000 0.000 0.201 237 E C -0.169 176.466 176.600 0.057 0.000 0.999 237 E CA -0.321 56.107 56.400 0.046 0.000 1.315 237 E CB 1.120 30.845 29.700 0.042 0.000 1.146 237 E HN 0.015 nan 8.360 nan 0.000 0.453 238 R N 1.714 122.250 120.500 0.059 0.000 2.442 238 R HA 0.244 4.584 4.340 -0.000 0.000 0.291 238 R C -0.460 175.888 176.300 0.080 0.000 1.069 238 R CA -0.026 56.115 56.100 0.069 0.000 1.022 238 R CB 0.492 30.827 30.300 0.058 0.000 0.976 238 R HN 0.139 nan 8.270 nan 0.000 0.443 239 L N 5.294 126.582 121.223 0.109 0.000 2.400 239 L HA 0.500 4.839 4.340 -0.000 0.000 0.264 239 L C -1.875 175.080 176.870 0.141 0.000 1.061 239 L CA -2.588 52.348 54.840 0.160 0.000 0.799 239 L CB 1.210 43.434 42.059 0.276 0.000 1.240 239 L HN 0.566 nan 8.230 nan 0.000 0.461 240 P HA 0.079 nan 4.420 nan 0.000 0.269 240 P C -2.422 174.903 177.300 0.043 0.000 1.215 240 P CA -0.937 62.202 63.100 0.064 0.000 0.780 240 P CB -0.079 31.645 31.700 0.040 0.000 0.898 241 P HA 0.074 nan 4.420 nan 0.000 0.230 241 P C 0.741 178.031 177.300 -0.016 0.000 1.791 241 P CA 0.026 63.145 63.100 0.031 0.000 1.020 241 P CB -0.301 31.408 31.700 0.014 0.000 1.977 242 I N 1.082 121.599 120.570 -0.090 0.000 2.315 242 I HA -0.172 3.998 4.170 -0.000 0.000 0.251 242 I C 2.489 178.456 176.117 -0.250 0.000 1.125 242 I CA 1.581 62.703 61.300 -0.296 0.000 1.392 242 I CB -1.954 35.499 38.000 -0.911 0.000 1.065 242 I HN 0.207 nan 8.210 nan 0.000 0.424 243 G N 0.949 109.808 108.800 0.099 0.000 2.475 243 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.220 243 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.220 243 G C 1.844 176.558 174.900 -0.310 0.000 1.125 243 G CA 0.247 45.325 45.100 -0.037 0.000 0.755 243 G HN 0.345 nan 8.290 nan 0.000 0.565 244 L N -0.056 121.054 121.223 -0.189 0.000 2.129 244 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 244 L C 2.815 179.470 176.870 -0.358 0.000 1.087 244 L CA 0.925 55.647 54.840 -0.197 0.000 0.757 244 L CB -0.161 41.824 42.059 -0.123 0.000 0.896 244 L HN 0.279 nan 8.230 nan 0.000 0.434 245 L N -0.796 120.111 121.223 -0.527 0.000 2.191 245 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 245 L C 2.546 178.705 176.870 -1.186 0.000 1.103 245 L CA 1.661 56.090 54.840 -0.685 0.000 0.769 245 L CB -0.990 40.678 42.059 -0.651 0.000 0.908 245 L HN 0.433 nan 8.230 nan 0.000 0.438 246 T N -3.921 109.771 114.554 -1.436 0.000 3.072 246 T HA -0.077 4.273 4.350 -0.000 0.000 0.266 246 T C 1.817 176.115 174.700 -0.670 0.000 1.127 246 T CA 0.875 62.112 62.100 -1.439 0.000 1.107 246 T CB -0.238 67.877 68.868 -1.256 0.000 0.910 246 T HN 0.414 nan 8.240 nan 0.000 0.513 247 S N -0.356 115.055 115.700 -0.483 0.000 2.558 247 S HA 0.119 4.589 4.470 -0.000 0.000 0.217 247 S C 0.563 174.953 174.600 -0.350 0.000 0.975 247 S CA -0.448 57.495 58.200 -0.428 0.000 0.912 247 S CB -0.219 62.819 63.200 -0.271 0.000 0.776 247 S HN 0.458 nan 8.310 nan 0.000 0.526 248 D N 1.698 121.918 120.400 -0.299 0.000 2.451 248 D HA 0.477 5.117 4.640 -0.000 0.000 0.259 248 D C 0.719 176.945 176.300 -0.122 0.000 1.201 248 D CA 0.114 54.005 54.000 -0.181 0.000 1.028 248 D CB 1.033 41.757 40.800 -0.128 0.000 1.095 248 D HN 0.293 nan 8.370 nan 0.000 0.539 249 G N 0.603 109.353 108.800 -0.083 0.000 2.474 249 G HA2 -0.058 3.902 3.960 -0.000 0.000 0.233 249 G HA3 -0.058 3.902 3.960 -0.000 0.000 0.233 249 G C 1.047 175.947 174.900 -0.000 0.000 1.278 249 G CA -0.292 44.775 45.100 -0.056 0.000 0.861 249 G HN 0.367 nan 8.290 nan 0.000 0.567 250 R N 1.570 122.071 120.500 0.001 0.000 2.105 250 R HA -0.084 4.256 4.340 -0.000 0.000 0.239 250 R C 2.746 179.064 176.300 0.031 0.000 1.135 250 R CA 1.429 57.554 56.100 0.042 0.000 0.967 250 R CB -1.085 29.216 30.300 0.000 0.000 0.861 250 R HN 0.472 nan 8.270 nan 0.000 0.442 251 S N 0.976 116.676 115.700 0.000 0.000 2.387 251 S HA -0.072 4.397 4.470 -0.000 0.000 0.226 251 S C 1.676 176.270 174.600 -0.009 0.000 1.026 251 S CA 0.971 59.168 58.200 -0.006 0.000 0.972 251 S CB 0.047 63.242 63.200 -0.009 0.000 0.814 251 S HN 0.287 nan 8.310 nan 0.000 0.477 252 E N 0.720 120.916 120.200 -0.005 0.000 2.047 252 E HA -0.085 4.265 4.350 -0.000 0.000 0.191 252 E C 1.520 178.133 176.600 0.022 0.000 0.987 252 E CA 0.824 57.204 56.400 -0.033 0.000 0.799 252 E CB -0.296 29.380 29.700 -0.041 0.000 0.752 252 E HN 0.690 nan 8.360 nan 0.000 0.449 253 W N 0.861 122.073 121.300 -0.147 0.000 2.402 253 W HA -0.163 4.497 4.660 -0.000 0.000 0.286 253 W C 1.910 178.374 176.519 -0.092 0.000 1.221 253 W CA 1.036 58.297 57.345 -0.140 0.000 1.257 253 W CB 0.048 29.422 29.460 -0.142 0.000 1.120 253 W HN 0.147 nan 8.180 nan 0.000 0.551 254 A N 0.900 123.619 122.820 -0.168 0.000 1.933 254 A HA -0.238 4.082 4.320 -0.000 0.000 0.218 254 A C 2.018 179.481 177.584 -0.202 0.000 1.175 254 A CA 1.871 53.741 52.037 -0.278 0.000 0.628 254 A CB -0.878 18.050 19.000 -0.120 0.000 0.814 254 A HN 0.349 nan 8.150 nan 0.000 0.444 255 K N -0.359 119.967 120.400 -0.125 0.000 2.001 255 K HA -0.047 4.273 4.320 -0.000 0.000 0.208 255 K C 2.240 178.773 176.600 -0.113 0.000 1.048 255 K CA 1.137 57.360 56.287 -0.107 0.000 0.932 255 K CB -0.345 32.087 32.500 -0.114 0.000 0.715 255 K HN 0.334 nan 8.250 nan 0.000 0.437 256 A N 1.740 124.458 122.820 -0.170 0.000 1.908 256 A HA -0.214 4.106 4.320 -0.000 0.000 0.218 256 A C 2.163 179.791 177.584 0.073 0.000 1.181 256 A CA 1.765 53.793 52.037 -0.015 0.000 0.627 256 A CB -0.598 18.451 19.000 0.081 0.000 0.818 256 A HN 0.432 nan 8.150 nan 0.000 0.445 257 R N -0.887 119.485 120.500 -0.214 0.000 2.081 257 R HA -0.115 4.225 4.340 -0.000 0.000 0.235 257 R C 2.065 178.274 176.300 -0.152 0.000 1.131 257 R CA 1.995 57.844 56.100 -0.418 0.000 0.960 257 R CB -0.614 29.012 30.300 -1.124 0.000 0.856 257 R HN 0.459 nan 8.270 nan 0.000 0.436 258 T N 0.286 114.761 114.554 -0.131 0.000 2.833 258 T HA -0.090 4.260 4.350 -0.000 0.000 0.269 258 T C 1.746 176.454 174.700 0.014 0.000 1.054 258 T CA 1.318 63.387 62.100 -0.051 0.000 1.135 258 T CB -0.063 68.776 68.868 -0.048 0.000 0.869 258 T HN 0.046 nan 8.240 nan 0.000 0.466 259 V N 1.162 121.109 119.914 0.055 0.000 2.358 259 V HA -0.092 4.028 4.120 -0.000 0.000 0.246 259 V C 2.398 178.552 176.094 0.101 0.000 1.047 259 V CA 1.119 63.477 62.300 0.096 0.000 1.035 259 V CB -0.542 31.384 31.823 0.171 0.000 0.658 259 V HN 0.321 nan 8.190 nan 0.000 0.452 260 L N -0.522 120.775 121.223 0.123 0.000 2.042 260 L HA -0.134 4.206 4.340 -0.000 0.000 0.210 260 L C 2.158 179.111 176.870 0.138 0.000 1.076 260 L CA 1.760 56.698 54.840 0.164 0.000 0.749 260 L CB -0.857 41.336 42.059 0.224 0.000 0.893 260 L HN 0.257 nan 8.230 nan 0.000 0.432 261 L N -1.062 120.215 121.223 0.091 0.000 2.549 261 L HA -0.213 4.127 4.340 -0.000 0.000 0.230 261 L C 2.204 179.108 176.870 0.056 0.000 1.162 261 L CA 0.704 55.584 54.840 0.067 0.000 0.834 261 L CB -0.530 41.548 42.059 0.033 0.000 0.947 261 L HN 0.289 nan 8.230 nan 0.000 0.452 262 K N -0.597 119.838 120.400 0.060 0.000 2.283 262 K HA -0.076 4.244 4.320 -0.000 0.000 0.202 262 K C 0.648 177.277 176.600 0.049 0.000 1.048 262 K CA 0.529 56.844 56.287 0.047 0.000 0.948 262 K CB 0.043 32.571 32.500 0.046 0.000 0.742 262 K HN 0.204 nan 8.250 nan 0.000 0.458 263 D N -0.442 119.998 120.400 0.067 0.000 2.256 263 D HA 0.053 4.692 4.640 -0.000 0.000 0.246 263 D C 0.363 176.694 176.300 0.052 0.000 1.042 263 D CA -0.028 54.008 54.000 0.060 0.000 0.841 263 D CB 2.066 42.913 40.800 0.078 0.000 1.223 263 D HN -0.180 nan 8.370 nan 0.000 0.470 264 S N 1.993 117.711 115.700 0.029 0.000 2.400 264 S HA -0.155 4.314 4.470 -0.000 0.000 0.232 264 S C 1.633 176.231 174.600 -0.003 0.000 1.025 264 S CA 1.937 60.144 58.200 0.011 0.000 0.993 264 S CB 0.093 63.293 63.200 0.000 0.000 0.808 264 S HN 0.641 nan 8.310 nan 0.000 0.478 265 T N 2.602 117.157 114.554 0.001 0.000 2.746 265 T HA -0.042 4.308 4.350 -0.000 0.000 0.267 265 T C 1.709 176.380 174.700 -0.047 0.000 1.039 265 T CA 1.382 63.461 62.100 -0.036 0.000 1.142 265 T CB -0.429 68.427 68.868 -0.020 0.000 0.866 265 T HN 0.461 nan 8.240 nan 0.000 0.444 266 N N 0.953 119.696 118.700 0.072 0.000 2.270 266 N HA -0.006 4.734 4.740 -0.000 0.000 0.181 266 N C 1.946 177.530 175.510 0.124 0.000 1.016 266 N CA 0.648 53.817 53.050 0.197 0.000 0.870 266 N CB -0.279 38.432 38.487 0.373 0.000 0.979 266 N HN 0.334 nan 8.380 nan 0.000 0.431 267 R N 0.937 121.479 120.500 0.070 0.000 2.105 267 R HA -0.096 4.243 4.340 -0.000 0.000 0.239 267 R C 1.007 177.296 176.300 -0.018 0.000 1.135 267 R CA 1.391 57.514 56.100 0.038 0.000 0.967 267 R CB 0.088 30.401 30.300 0.022 0.000 0.861 267 R HN 0.182 nan 8.270 nan 0.000 0.442 268 D N -0.683 119.679 120.400 -0.063 0.000 2.123 268 D HA -0.070 4.570 4.640 -0.000 0.000 0.200 268 D C 1.889 178.085 176.300 -0.174 0.000 0.976 268 D CA 1.182 55.116 54.000 -0.110 0.000 0.831 268 D CB -0.109 40.617 40.800 -0.122 0.000 0.974 268 D HN 0.114 nan 8.370 nan 0.000 0.469 269 S N 0.606 116.146 115.700 -0.266 0.000 2.368 269 S HA -0.043 4.427 4.470 -0.000 0.000 0.224 269 S C 2.238 176.687 174.600 -0.253 0.000 1.029 269 S CA 0.445 58.382 58.200 -0.439 0.000 0.988 269 S CB -0.142 62.420 63.200 -1.064 0.000 0.838 269 S HN 0.220 nan 8.310 nan 0.000 0.462 270 L N 1.143 122.341 121.223 -0.041 0.000 2.046 270 L HA -0.154 4.186 4.340 -0.000 0.000 0.208 270 L C 2.393 179.200 176.870 -0.105 0.000 1.077 270 L CA 1.449 56.313 54.840 0.040 0.000 0.747 270 L CB -0.579 41.591 42.059 0.186 0.000 0.896 270 L HN 0.272 nan 8.230 nan 0.000 0.432 271 D N -0.302 120.041 120.400 -0.095 0.000 2.117 271 D HA -0.223 4.417 4.640 -0.000 0.000 0.197 271 D C 2.270 178.508 176.300 -0.103 0.000 0.987 271 D CA 1.307 55.244 54.000 -0.104 0.000 0.829 271 D CB 0.146 40.903 40.800 -0.073 0.000 0.961 271 D HN 0.017 nan 8.370 nan 0.000 0.460 272 M N 0.041 119.571 119.600 -0.116 0.000 2.117 272 M HA -0.086 4.394 4.480 -0.000 0.000 0.262 272 M C 2.370 178.685 176.300 0.025 0.000 1.065 272 M CA 1.061 56.326 55.300 -0.058 0.000 1.114 272 M CB -0.875 31.619 32.600 -0.177 0.000 1.361 272 M HN 0.240 nan 8.290 nan 0.000 0.408 273 I N -0.407 120.062 120.570 -0.169 0.000 2.315 273 I HA -0.247 3.923 4.170 -0.000 0.000 0.248 273 I C 1.792 177.785 176.117 -0.205 0.000 1.117 273 I CA 1.095 62.234 61.300 -0.267 0.000 1.404 273 I CB -0.434 37.156 38.000 -0.683 0.000 1.071 273 I HN 0.363 nan 8.210 nan 0.000 0.419 274 E N 0.580 120.589 120.200 -0.318 0.000 2.478 274 E HA -0.065 4.285 4.350 -0.000 0.000 0.198 274 E C 1.282 177.782 176.600 -0.167 0.000 1.046 274 E CA 0.359 56.461 56.400 -0.498 0.000 0.870 274 E CB 0.166 29.484 29.700 -0.637 0.000 0.818 274 E HN 0.401 nan 8.360 nan 0.000 0.527 275 R N 0.172 120.638 120.500 -0.057 0.000 2.600 275 R HA 0.150 4.490 4.340 -0.000 0.000 0.392 275 R C 0.093 176.325 176.300 -0.113 0.000 1.032 275 R CA -0.250 55.845 56.100 -0.007 0.000 1.139 275 R CB 0.379 30.712 30.300 0.055 0.000 1.400 275 R HN 0.148 nan 8.270 nan 0.000 0.566 276 C N -1.814 117.395 119.300 -0.151 0.000 2.422 276 C HA 0.454 4.913 4.460 -0.000 0.000 0.364 276 C C 1.978 176.899 174.990 -0.114 0.000 1.251 276 C CA -0.884 57.910 59.018 -0.373 0.000 2.441 276 C CB 0.366 27.995 27.740 -0.185 0.000 2.393 276 C HN 0.349 nan 8.230 nan 0.000 0.606 277 I N 0.984 121.488 120.570 -0.110 0.000 2.286 277 I HA 0.053 4.223 4.170 -0.000 0.000 0.245 277 I C 1.221 177.471 176.117 0.223 0.000 1.104 277 I CA 1.791 63.120 61.300 0.047 0.000 1.397 277 I CB -0.301 37.660 38.000 -0.066 0.000 1.072 277 I HN 1.054 nan 8.210 nan 0.000 0.417 278 C N -2.384 117.028 119.300 0.187 0.000 3.167 278 C HA 0.541 5.001 4.460 -0.000 0.000 0.348 278 C C -1.314 173.820 174.990 0.241 0.000 1.394 278 C CA -1.632 57.555 59.018 0.281 0.000 1.204 278 C CB 0.469 28.492 27.740 0.473 0.000 1.467 278 C HN 0.051 nan 8.230 nan 0.000 0.446 279 L N 1.188 122.569 121.223 0.263 0.000 2.325 279 L HA 0.836 5.176 4.340 -0.000 0.000 0.278 279 L C -0.398 176.657 176.870 0.307 0.000 1.023 279 L CA -0.264 54.729 54.840 0.254 0.000 0.811 279 L CB 1.891 44.086 42.059 0.227 0.000 1.249 279 L HN 0.753 nan 8.230 nan 0.000 0.431 280 V N 2.434 122.508 119.914 0.268 0.000 2.407 280 V HA 0.315 4.435 4.120 -0.000 0.000 0.291 280 V C -0.891 175.325 176.094 0.202 0.000 1.018 280 V CA -0.664 61.791 62.300 0.257 0.000 0.842 280 V CB 1.501 33.443 31.823 0.198 0.000 0.996 280 V HN 0.792 nan 8.190 nan 0.000 0.426 281 C N 6.367 125.774 119.300 0.180 0.000 2.251 281 C HA 0.494 4.954 4.460 -0.000 0.000 0.323 281 C C 0.553 175.606 174.990 0.105 0.000 1.241 281 C CA -0.893 58.200 59.018 0.125 0.000 1.601 281 C CB -0.155 27.641 27.740 0.092 0.000 2.251 281 C HN 0.730 nan 8.230 nan 0.000 0.488 282 L N 3.694 124.966 121.223 0.081 0.000 2.387 282 L HA 0.197 4.537 4.340 -0.000 0.000 0.267 282 L C -0.055 176.846 176.870 0.052 0.000 1.197 282 L CA 0.166 55.046 54.840 0.067 0.000 1.070 282 L CB -0.657 41.424 42.059 0.037 0.000 1.349 282 L HN 0.627 nan 8.230 nan 0.000 0.422 283 D N 1.578 122.015 120.400 0.061 0.000 2.382 283 D HA 0.260 4.900 4.640 -0.000 0.000 0.240 283 D C 0.646 176.979 176.300 0.054 0.000 1.146 283 D CA 0.252 54.282 54.000 0.050 0.000 0.897 283 D CB 1.328 42.157 40.800 0.047 0.000 1.197 283 D HN 0.436 nan 8.370 nan 0.000 0.432 284 G N 0.661 109.489 108.800 0.047 0.000 2.562 284 G HA2 0.433 4.392 3.960 -0.000 0.000 0.275 284 G HA3 0.433 4.392 3.960 -0.000 0.000 0.275 284 G C -2.389 172.547 174.900 0.061 0.000 1.196 284 G CA -0.981 44.148 45.100 0.049 0.000 0.908 284 G HN 0.279 nan 8.290 nan 0.000 0.524 285 P HA 0.272 nan 4.420 nan 0.000 0.269 285 P C 0.445 177.791 177.300 0.077 0.000 1.209 285 P CA 0.107 63.248 63.100 0.067 0.000 0.776 285 P CB 1.106 32.841 31.700 0.057 0.000 0.876 286 G N 0.376 109.235 108.800 0.098 0.000 2.820 286 G HA2 0.679 4.639 3.960 -0.000 0.000 0.291 286 G HA3 0.679 4.639 3.960 -0.000 0.000 0.291 286 G C -0.886 174.084 174.900 0.116 0.000 1.323 286 G CA -0.536 44.651 45.100 0.144 0.000 1.055 286 G HN 0.546 nan 8.290 nan 0.000 0.520 287 T N -3.557 111.093 114.554 0.160 0.000 2.924 287 T HA 0.776 5.126 4.350 -0.000 0.000 0.291 287 T C 0.418 175.166 174.700 0.080 0.000 1.045 287 T CA 0.318 62.475 62.100 0.094 0.000 1.015 287 T CB 1.469 70.389 68.868 0.087 0.000 1.103 287 T HN 2.460 nan 8.240 nan 0.000 0.496 288 G N 0.641 109.443 108.800 0.004 0.000 2.757 288 G HA2 -0.060 3.900 3.960 -0.000 0.000 0.638 288 G HA3 -0.060 3.900 3.960 -0.000 0.000 0.638 288 G C -0.536 174.262 174.900 -0.170 0.000 1.344 288 G CA -0.342 44.738 45.100 -0.033 0.000 0.855 288 G HN 1.151 nan 8.290 nan 0.000 0.537 289 E N -0.636 119.487 120.200 -0.128 0.000 2.384 289 E HA 0.304 4.654 4.350 -0.000 0.000 0.266 289 E C 0.790 177.213 176.600 -0.296 0.000 1.012 289 E CA -0.512 55.803 56.400 -0.142 0.000 0.901 289 E CB 0.200 29.874 29.700 -0.045 0.000 0.967 289 E HN 0.450 nan 8.360 nan 0.000 0.435 290 L N 5.055 126.130 121.223 -0.246 0.000 2.727 290 L HA 0.116 4.456 4.340 -0.000 0.000 0.237 290 L C 0.502 177.353 176.870 -0.032 0.000 1.370 290 L CA -0.514 54.187 54.840 -0.231 0.000 1.248 290 L CB -0.708 41.252 42.059 -0.164 0.000 1.556 290 L HN 0.424 nan 8.230 nan 0.000 0.420 291 S N -2.737 112.984 115.700 0.035 0.000 2.614 291 S HA 0.103 4.573 4.470 -0.000 0.000 0.265 291 S C 0.841 175.549 174.600 0.180 0.000 1.303 291 S CA -0.736 57.523 58.200 0.099 0.000 1.000 291 S CB 1.433 64.694 63.200 0.101 0.000 0.935 291 S HN 0.300 nan 8.310 nan 0.000 0.551 292 D N 1.415 121.928 120.400 0.187 0.000 2.149 292 D HA -0.090 4.550 4.640 -0.000 0.000 0.194 292 D C 1.930 178.453 176.300 0.372 0.000 1.001 292 D CA 1.984 56.170 54.000 0.311 0.000 0.849 292 D CB -0.889 40.032 40.800 0.201 0.000 0.939 292 D HN 0.711 nan 8.370 nan 0.000 0.449 293 T N -0.436 114.286 114.554 0.281 0.000 2.708 293 T HA -0.187 4.163 4.350 -0.000 0.000 0.266 293 T C 1.764 176.652 174.700 0.314 0.000 1.037 293 T CA 1.182 63.488 62.100 0.342 0.000 1.146 293 T CB -0.352 68.658 68.868 0.237 0.000 0.865 293 T HN 0.326 nan 8.240 nan 0.000 0.435 294 H N 1.718 120.886 119.070 0.163 0.000 2.352 294 H HA 0.009 4.565 4.556 -0.000 0.000 0.299 294 H C 2.388 177.763 175.328 0.078 0.000 1.097 294 H CA 1.568 57.684 56.048 0.113 0.000 1.311 294 H CB -0.069 29.743 29.762 0.084 0.000 1.377 294 H HN 0.255 nan 8.280 nan 0.000 0.504 295 R N -0.072 120.595 120.500 0.279 0.000 2.115 295 R HA -0.030 4.310 4.340 -0.000 0.000 0.230 295 R C 2.617 178.926 176.300 0.015 0.000 1.111 295 R CA 0.882 57.072 56.100 0.149 0.000 0.976 295 R CB -0.127 30.250 30.300 0.127 0.000 0.870 295 R HN 0.327 nan 8.270 nan 0.000 0.445 296 A N 1.244 124.116 122.820 0.087 0.000 1.873 296 A HA -0.118 4.202 4.320 -0.000 0.000 0.215 296 A C 2.135 179.566 177.584 -0.256 0.000 1.186 296 A CA 1.023 53.042 52.037 -0.030 0.000 0.616 296 A CB -0.526 18.589 19.000 0.191 0.000 0.823 296 A HN 0.169 nan 8.150 nan 0.000 0.442 297 L N -0.752 120.329 121.223 -0.237 0.000 2.042 297 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 297 L C 2.918 179.492 176.870 -0.493 0.000 1.076 297 L CA 2.035 56.623 54.840 -0.419 0.000 0.749 297 L CB -0.594 41.345 42.059 -0.200 0.000 0.893 297 L HN 0.634 nan 8.230 nan 0.000 0.432 298 Q N -0.171 119.462 119.800 -0.279 0.000 2.119 298 Q HA -0.192 4.148 4.340 -0.000 0.000 0.201 298 Q C 2.313 178.222 176.000 -0.151 0.000 0.972 298 Q CA 1.142 56.843 55.803 -0.170 0.000 0.847 298 Q CB 0.150 28.823 28.738 -0.110 0.000 0.903 298 Q HN 0.395 nan 8.270 nan 0.000 0.433 299 L N 0.423 121.536 121.223 -0.184 0.000 2.156 299 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 299 L C 2.228 179.008 176.870 -0.149 0.000 1.095 299 L CA 1.177 55.919 54.840 -0.164 0.000 0.770 299 L CB -0.792 41.147 42.059 -0.202 0.000 0.914 299 L HN 0.401 nan 8.230 nan 0.000 0.439 300 L N -0.650 120.420 121.223 -0.254 0.000 2.072 300 L HA -0.194 4.146 4.340 -0.000 0.000 0.205 300 L C 1.676 178.505 176.870 -0.069 0.000 1.079 300 L CA 1.289 55.995 54.840 -0.224 0.000 0.752 300 L CB -0.259 41.559 42.059 -0.402 0.000 0.906 300 L HN 0.536 nan 8.230 nan 0.000 0.436 301 H N -3.963 115.112 119.070 0.007 0.000 3.566 301 H HA 0.335 4.891 4.556 -0.000 0.000 0.259 301 H C 1.075 176.431 175.328 0.047 0.000 1.184 301 H CA -0.295 55.782 56.048 0.048 0.000 1.107 301 H CB -0.327 29.430 29.762 -0.009 0.000 1.726 301 H HN 0.063 nan 8.280 nan 0.000 0.743 302 G N 0.567 109.495 108.800 0.214 0.000 2.196 302 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.268 302 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.268 302 G C 1.526 176.533 174.900 0.178 0.000 0.975 302 G CA 1.226 46.415 45.100 0.148 0.000 0.648 302 G HN 1.682 nan 8.290 nan 0.000 0.538 303 G N -1.615 107.413 108.800 0.381 0.000 2.141 303 G HA2 0.453 4.413 3.960 -0.000 0.000 0.242 303 G HA3 0.453 4.413 3.960 -0.000 0.000 0.242 303 G C 1.485 176.381 174.900 -0.007 0.000 0.982 303 G CA 0.585 45.779 45.100 0.158 0.000 0.662 303 G HN 2.967 nan 8.290 nan 0.000 0.527 304 G N -2.412 106.373 108.800 -0.025 0.000 2.663 304 G HA2 0.180 4.140 3.960 -0.000 0.000 0.686 304 G HA3 0.180 4.140 3.960 -0.000 0.000 0.686 304 G C 1.423 176.317 174.900 -0.010 0.000 1.288 304 G CA 0.776 45.843 45.100 -0.056 0.000 0.836 304 G HN 1.977 nan 8.290 nan 0.000 0.584 305 C N -0.695 118.593 119.300 -0.020 0.000 2.430 305 C HA 0.284 4.744 4.460 -0.000 0.000 0.288 305 C C 2.863 177.853 174.990 -0.000 0.000 1.448 305 C CA 1.740 60.753 59.018 -0.008 0.000 1.784 305 C CB -1.573 26.155 27.740 -0.019 0.000 1.776 305 C HN 2.003 nan 8.230 nan 0.000 0.547 306 S N -0.609 115.090 115.700 -0.001 0.000 2.575 306 S HA 0.315 4.785 4.470 -0.000 0.000 0.215 306 S C 1.005 175.614 174.600 0.016 0.000 0.966 306 S CA 0.183 58.387 58.200 0.006 0.000 0.911 306 S CB -0.286 62.915 63.200 0.003 0.000 0.780 306 S HN 0.744 nan 8.310 nan 0.000 0.514 307 L N 0.083 121.318 121.223 0.020 0.000 3.192 307 L HA 0.471 4.810 4.340 -0.000 0.000 0.200 307 L C 1.184 178.074 176.870 0.033 0.000 1.356 307 L CA -0.384 54.475 54.840 0.032 0.000 2.253 307 L CB -0.135 41.947 42.059 0.039 0.000 2.210 307 L HN 0.089 nan 8.230 nan 0.000 0.943 308 N N 0.062 118.788 118.700 0.042 0.000 2.171 308 N HA 0.076 4.816 4.740 -0.000 0.000 0.212 308 N C 1.346 176.888 175.510 0.053 0.000 1.184 308 N CA 0.628 53.703 53.050 0.042 0.000 0.888 308 N CB 1.040 39.552 38.487 0.041 0.000 1.038 308 N HN 0.455 nan 8.380 nan 0.000 0.517 309 G N 0.857 109.695 108.800 0.062 0.000 2.479 309 G HA2 -0.189 3.771 3.960 -0.000 0.000 0.220 309 G HA3 -0.189 3.771 3.960 -0.000 0.000 0.220 309 G C 1.360 176.308 174.900 0.080 0.000 1.115 309 G CA 1.056 46.207 45.100 0.085 0.000 0.757 309 G HN 0.354 nan 8.290 nan 0.000 0.560 310 A N 0.053 122.901 122.820 0.047 0.000 2.195 310 A HA 0.221 4.541 4.320 -0.000 0.000 0.210 310 A C 1.499 179.125 177.584 0.070 0.000 1.165 310 A CA 0.218 52.284 52.037 0.048 0.000 0.806 310 A CB -0.077 18.936 19.000 0.021 0.000 0.847 310 A HN 0.278 nan 8.150 nan 0.000 0.482 311 N N 1.334 120.056 118.700 0.038 0.000 3.111 311 N HA 0.087 4.827 4.740 -0.000 0.000 0.302 311 N C -0.237 175.318 175.510 0.076 0.000 1.317 311 N CA 0.167 53.221 53.050 0.006 0.000 1.151 311 N CB -0.232 38.251 38.487 -0.007 0.000 1.456 311 N HN 0.245 nan 8.380 nan 0.000 0.547 312 R N -0.368 120.236 120.500 0.173 0.000 2.795 312 R HA 0.381 4.721 4.340 -0.000 0.000 0.268 312 R C -1.432 175.029 176.300 0.268 0.000 1.041 312 R CA -0.630 55.522 56.100 0.085 0.000 0.927 312 R CB 1.091 31.226 30.300 -0.275 0.000 1.235 312 R HN 0.238 nan 8.270 nan 0.000 0.463 313 W N 2.038 123.252 121.300 -0.143 0.000 2.320 313 W HA 0.189 4.849 4.660 -0.000 0.000 0.287 313 W C -0.743 175.685 176.519 -0.151 0.000 1.041 313 W CA -0.539 56.751 57.345 -0.092 0.000 1.148 313 W CB 0.317 29.755 29.460 -0.038 0.000 1.046 313 W HN 0.686 nan 8.180 nan 0.000 0.295 314 Y N 1.122 121.323 120.300 -0.166 0.000 2.483 314 Y HA -0.196 4.353 4.550 -0.000 0.000 0.291 314 Y C 1.945 177.780 175.900 -0.109 0.000 1.143 314 Y CA 1.486 59.509 58.100 -0.127 0.000 1.289 314 Y CB -0.053 38.290 38.460 -0.195 0.000 0.983 314 Y HN 0.106 nan 8.280 nan 0.000 0.556 315 D N -0.010 120.403 120.400 0.021 0.000 2.269 315 D HA -0.072 4.567 4.640 -0.000 0.000 0.208 315 D C 0.849 177.012 176.300 -0.228 0.000 0.963 315 D CA 0.893 54.792 54.000 -0.168 0.000 0.864 315 D CB -0.062 40.549 40.800 -0.314 0.000 0.936 315 D HN 0.034 nan 8.370 nan 0.000 0.505 316 K N 0.409 120.885 120.400 0.125 0.000 2.249 316 K HA 0.180 4.499 4.320 -0.000 0.000 0.280 316 K C 1.042 177.686 176.600 0.075 0.000 1.033 316 K CA -0.070 56.322 56.287 0.175 0.000 0.946 316 K CB 0.958 33.635 32.500 0.295 0.000 1.005 316 K HN -0.308 nan 8.250 nan 0.000 0.469 317 S N 2.883 118.628 115.700 0.077 0.000 2.359 317 S HA -0.113 4.357 4.470 -0.000 0.000 0.223 317 S C 0.452 175.089 174.600 0.062 0.000 1.039 317 S CA 1.112 59.340 58.200 0.048 0.000 1.042 317 S CB -0.308 62.984 63.200 0.152 0.000 0.915 317 S HN 0.515 nan 8.310 nan 0.000 0.439 318 L N 1.234 122.494 121.223 0.062 0.000 2.356 318 L HA 0.469 4.808 4.340 -0.000 0.000 0.277 318 L C -0.597 176.201 176.870 -0.121 0.000 0.996 318 L CA -0.312 54.467 54.840 -0.102 0.000 0.822 318 L CB 1.717 43.673 42.059 -0.172 0.000 1.256 318 L HN 0.077 nan 8.230 nan 0.000 0.413 319 Q N 3.591 123.251 119.800 -0.233 0.000 2.394 319 Q HA 0.430 4.769 4.340 -0.000 0.000 0.261 319 Q C -1.365 174.522 176.000 -0.188 0.000 1.023 319 Q CA -0.423 55.310 55.803 -0.116 0.000 0.720 319 Q CB 1.859 30.534 28.738 -0.104 0.000 1.241 319 Q HN 0.400 nan 8.270 nan 0.000 0.483 320 F N 1.334 121.330 119.950 0.077 0.000 2.427 320 F HA 0.263 4.789 4.527 -0.000 0.000 0.352 320 F C 0.334 176.166 175.800 0.055 0.000 1.100 320 F CA -0.628 57.417 58.000 0.074 0.000 1.191 320 F CB 0.897 39.986 39.000 0.150 0.000 1.128 320 F HN 0.133 nan 8.300 nan 0.000 0.533 321 V N 4.773 124.777 119.914 0.151 0.000 2.370 321 V HA 0.385 4.505 4.120 -0.000 0.000 0.283 321 V C -0.475 175.697 176.094 0.131 0.000 1.023 321 V CA -0.718 61.636 62.300 0.090 0.000 0.857 321 V CB 1.613 33.423 31.823 -0.022 0.000 0.985 321 V HN 0.480 nan 8.190 nan 0.000 0.443 322 V N 4.783 124.799 119.914 0.169 0.000 2.327 322 V HA 0.548 4.668 4.120 -0.000 0.000 0.272 322 V C 0.759 176.956 176.094 0.172 0.000 1.019 322 V CA -0.432 61.995 62.300 0.212 0.000 0.814 322 V CB 1.265 33.267 31.823 0.299 0.000 1.040 322 V HN 0.904 nan 8.190 nan 0.000 0.440 323 G N 2.175 111.057 108.800 0.137 0.000 2.476 323 G HA2 0.386 4.345 3.960 -0.000 0.000 0.269 323 G HA3 0.386 4.345 3.960 -0.000 0.000 0.269 323 G C 0.696 175.724 174.900 0.213 0.000 1.195 323 G CA -0.420 44.755 45.100 0.125 0.000 0.843 323 G HN 0.652 nan 8.290 nan 0.000 0.545 324 R N 0.591 121.191 120.500 0.167 0.000 2.105 324 R HA -0.147 4.193 4.340 -0.000 0.000 0.239 324 R C 1.772 178.215 176.300 0.238 0.000 1.135 324 R CA 2.340 58.558 56.100 0.197 0.000 0.967 324 R CB -0.255 30.111 30.300 0.110 0.000 0.861 324 R HN 0.635 nan 8.270 nan 0.000 0.442 325 D N -2.067 118.404 120.400 0.119 0.000 2.340 325 D HA 0.149 4.789 4.640 -0.000 0.000 0.220 325 D C 0.982 177.215 176.300 -0.112 0.000 1.039 325 D CA 0.696 54.718 54.000 0.037 0.000 0.866 325 D CB 0.092 40.901 40.800 0.015 0.000 0.913 325 D HN 0.403 nan 8.370 nan 0.000 0.523 326 G N -0.784 107.895 108.800 -0.202 0.000 2.179 326 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.220 326 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.220 326 G C 0.292 174.962 174.900 -0.383 0.000 0.990 326 G CA 0.043 44.767 45.100 -0.626 0.000 0.646 326 G HN 0.381 nan 8.290 nan 0.000 0.517 327 T N 1.371 115.826 114.554 -0.164 0.000 2.752 327 T HA 0.488 4.838 4.350 -0.000 0.000 0.295 327 T C 0.212 174.847 174.700 -0.108 0.000 0.923 327 T CA 0.508 62.545 62.100 -0.105 0.000 1.112 327 T CB 0.902 69.762 68.868 -0.013 0.000 0.884 327 T HN 0.480 nan 8.240 nan 0.000 0.525 328 C N 2.776 121.989 119.300 -0.145 0.000 2.802 328 C HA 1.028 5.488 4.460 -0.000 0.000 0.307 328 C C 0.893 175.621 174.990 -0.436 0.000 1.222 328 C CA -0.487 58.450 59.018 -0.136 0.000 1.580 328 C CB 1.429 29.170 27.740 0.002 0.000 2.119 328 C HN 1.161 nan 8.230 nan 0.000 0.479 329 G N 0.161 108.533 108.800 -0.713 0.000 2.336 329 G HA2 0.535 4.495 3.960 -0.000 0.000 0.286 329 G HA3 0.535 4.495 3.960 -0.000 0.000 0.286 329 G C -2.158 172.310 174.900 -0.721 0.000 1.269 329 G CA -0.217 44.079 45.100 -1.341 0.000 0.873 329 G HN 0.908 nan 8.290 nan 0.000 0.494 330 V N -0.149 119.442 119.914 -0.539 0.000 2.668 330 V HA 0.678 4.798 4.120 -0.000 0.000 0.304 330 V C -0.446 175.494 176.094 -0.256 0.000 1.071 330 V CA -0.783 61.309 62.300 -0.346 0.000 0.894 330 V CB 1.276 32.897 31.823 -0.337 0.000 1.008 330 V HN 1.329 nan 8.190 nan 0.000 0.425 331 V N 5.604 125.388 119.914 -0.218 0.000 2.435 331 V HA 0.840 4.960 4.120 -0.000 0.000 0.290 331 V C -0.110 175.910 176.094 -0.123 0.000 1.030 331 V CA -0.160 62.060 62.300 -0.133 0.000 0.881 331 V CB 1.209 32.977 31.823 -0.092 0.000 0.983 331 V HN 1.313 nan 8.190 nan 0.000 0.445 332 C N 4.989 124.244 119.300 -0.076 0.000 2.802 332 C HA 0.681 5.141 4.460 -0.000 0.000 0.307 332 C C -0.384 174.545 174.990 -0.103 0.000 1.222 332 C CA -0.708 58.267 59.018 -0.072 0.000 1.580 332 C CB 1.802 29.540 27.740 -0.005 0.000 2.119 332 C HN 0.946 nan 8.230 nan 0.000 0.479 333 E N 1.215 121.322 120.200 -0.156 0.000 2.223 333 E HA 0.106 4.456 4.350 -0.000 0.000 0.282 333 E C 0.551 176.881 176.600 -0.450 0.000 1.046 333 E CA 0.196 56.461 56.400 -0.224 0.000 0.857 333 E CB 0.338 29.924 29.700 -0.190 0.000 1.055 333 E HN 0.906 nan 8.360 nan 0.000 0.409 334 H N 3.025 121.766 119.070 -0.549 0.000 2.495 334 H HA -0.079 4.477 4.556 -0.000 0.000 0.287 334 H C 1.859 176.588 175.328 -0.998 0.000 1.033 334 H CA 1.502 57.104 56.048 -0.743 0.000 1.307 334 H CB 0.408 29.751 29.762 -0.698 0.000 1.401 334 H HN 0.505 nan 8.280 nan 0.000 0.555 335 S N 0.343 115.566 115.700 -0.795 0.000 2.400 335 S HA -0.056 4.414 4.470 -0.000 0.000 0.232 335 S C -0.761 173.703 174.600 -0.227 0.000 1.025 335 S CA 0.828 58.700 58.200 -0.547 0.000 0.993 335 S CB -0.819 62.208 63.200 -0.289 0.000 0.808 335 S HN 0.335 nan 8.310 nan 0.000 0.478 336 P HA 0.305 nan 4.420 nan 0.000 0.239 336 P C -0.055 177.181 177.300 -0.106 0.000 1.188 336 P CA 0.276 63.241 63.100 -0.226 0.000 0.794 336 P CB -0.027 31.539 31.700 -0.223 0.000 0.937 337 F N -3.583 116.359 119.950 -0.014 0.000 2.744 337 F HA 0.528 5.054 4.527 -0.000 0.000 0.311 337 F C -1.145 174.612 175.800 -0.072 0.000 1.144 337 F CA -1.692 56.276 58.000 -0.054 0.000 0.938 337 F CB 0.277 39.176 39.000 -0.168 0.000 1.292 337 F HN -0.390 nan 8.300 nan 0.000 0.444 338 D N 0.313 120.839 120.400 0.209 0.000 2.437 338 D HA 0.342 4.982 4.640 -0.000 0.000 0.259 338 D C 1.157 177.478 176.300 0.035 0.000 1.118 338 D CA -0.039 54.032 54.000 0.119 0.000 1.017 338 D CB 1.533 42.449 40.800 0.194 0.000 1.120 338 D HN 0.906 nan 8.370 nan 0.000 0.541 339 G N 0.295 109.089 108.800 -0.010 0.000 2.442 339 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.219 339 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.219 339 G C 1.455 176.354 174.900 -0.002 0.000 1.141 339 G CA 0.434 45.533 45.100 -0.002 0.000 0.763 339 G HN 0.374 nan 8.290 nan 0.000 0.554 340 I N 0.852 121.424 120.570 0.004 0.000 2.163 340 I HA -0.125 4.045 4.170 -0.000 0.000 0.243 340 I C 2.945 179.026 176.117 -0.061 0.000 1.085 340 I CA 0.816 62.112 61.300 -0.006 0.000 1.347 340 I CB -1.274 36.732 38.000 0.010 0.000 1.044 340 I HN 0.054 nan 8.210 nan 0.000 0.408 341 V N 0.795 120.613 119.914 -0.160 0.000 2.427 341 V HA -0.228 3.892 4.120 -0.000 0.000 0.248 341 V C 2.538 178.411 176.094 -0.367 0.000 1.051 341 V CA 1.236 63.297 62.300 -0.399 0.000 1.048 341 V CB -0.613 30.798 31.823 -0.687 0.000 0.666 341 V HN 0.325 nan 8.190 nan 0.000 0.456 342 L N 0.043 121.096 121.223 -0.284 0.000 2.012 342 L HA -0.126 4.214 4.340 -0.000 0.000 0.210 342 L C 2.347 179.132 176.870 -0.140 0.000 1.073 342 L CA 1.968 56.645 54.840 -0.272 0.000 0.748 342 L CB -0.545 41.452 42.059 -0.104 0.000 0.891 342 L HN 0.115 nan 8.230 nan 0.000 0.431 343 V N -0.225 119.651 119.914 -0.063 0.000 2.490 343 V HA -0.249 3.871 4.120 -0.000 0.000 0.250 343 V C 2.663 178.754 176.094 -0.006 0.000 1.061 343 V CA 1.556 63.851 62.300 -0.008 0.000 1.064 343 V CB -0.637 31.199 31.823 0.022 0.000 0.670 343 V HN 0.550 nan 8.190 nan 0.000 0.461 344 Q N -1.128 118.673 119.800 0.002 0.000 2.119 344 Q HA -0.184 4.156 4.340 -0.000 0.000 0.201 344 Q C 2.442 178.460 176.000 0.031 0.000 0.972 344 Q CA 1.922 57.768 55.803 0.071 0.000 0.847 344 Q CB -1.239 27.616 28.738 0.194 0.000 0.903 344 Q HN 0.735 nan 8.270 nan 0.000 0.433 345 C N 1.166 120.419 119.300 -0.078 0.000 2.453 345 C HA -0.127 4.333 4.460 -0.000 0.000 0.277 345 C C 3.021 177.848 174.990 -0.271 0.000 1.262 345 C CA 1.969 60.779 59.018 -0.347 0.000 1.718 345 C CB -1.037 26.453 27.740 -0.416 0.000 2.031 345 C HN 0.725 nan 8.230 nan 0.000 0.480 346 T N -1.243 113.250 114.554 -0.102 0.000 2.788 346 T HA -0.173 4.177 4.350 -0.000 0.000 0.268 346 T C 1.604 176.257 174.700 -0.078 0.000 1.044 346 T CA 1.922 64.018 62.100 -0.008 0.000 1.139 346 T CB -0.676 68.263 68.868 0.118 0.000 0.867 346 T HN 0.750 nan 8.240 nan 0.000 0.454 347 E N 0.105 120.271 120.200 -0.056 0.000 2.072 347 E HA -0.188 4.162 4.350 -0.000 0.000 0.191 347 E C 2.276 178.832 176.600 -0.073 0.000 0.985 347 E CA 1.076 57.439 56.400 -0.063 0.000 0.801 347 E CB -0.293 29.395 29.700 -0.019 0.000 0.750 347 E HN 0.606 nan 8.360 nan 0.000 0.452 348 H N 1.204 120.174 119.070 -0.166 0.000 2.353 348 H HA -0.080 4.476 4.556 -0.000 0.000 0.300 348 H C 2.089 177.246 175.328 -0.286 0.000 1.090 348 H CA 1.169 57.082 56.048 -0.226 0.000 1.327 348 H CB -0.055 29.625 29.762 -0.137 0.000 1.383 348 H HN 0.134 nan 8.280 nan 0.000 0.508 349 L N 0.069 121.269 121.223 -0.039 0.000 2.005 349 L HA -0.180 4.160 4.340 -0.000 0.000 0.207 349 L C 2.995 179.795 176.870 -0.116 0.000 1.072 349 L CA 0.814 55.618 54.840 -0.060 0.000 0.744 349 L CB -0.483 41.513 42.059 -0.104 0.000 0.895 349 L HN 0.210 nan 8.230 nan 0.000 0.433 350 L N -0.214 120.904 121.223 -0.175 0.000 2.012 350 L HA -0.248 4.092 4.340 -0.000 0.000 0.210 350 L C 2.653 179.451 176.870 -0.119 0.000 1.073 350 L CA 1.525 56.242 54.840 -0.204 0.000 0.748 350 L CB -0.541 41.348 42.059 -0.282 0.000 0.891 350 L HN 0.233 nan 8.230 nan 0.000 0.431 351 K N -0.912 119.424 120.400 -0.106 0.000 2.152 351 K HA -0.176 4.143 4.320 -0.000 0.000 0.206 351 K C 1.798 178.427 176.600 0.047 0.000 1.048 351 K CA 1.243 57.498 56.287 -0.052 0.000 0.933 351 K CB -0.238 32.211 32.500 -0.086 0.000 0.721 351 K HN 0.511 nan 8.250 nan 0.000 0.447 352 H N -0.645 118.340 119.070 -0.143 0.000 2.547 352 H HA 0.131 4.687 4.556 -0.000 0.000 0.266 352 H C 1.306 176.569 175.328 -0.108 0.000 0.988 352 H CA 0.010 55.986 56.048 -0.120 0.000 1.147 352 H CB 0.227 29.931 29.762 -0.095 0.000 1.365 352 H HN 0.114 nan 8.280 nan 0.000 0.589 353 M N 0.776 120.364 119.600 -0.019 0.000 2.563 353 M HA 0.072 4.552 4.480 -0.000 0.000 0.231 353 M C 0.820 177.077 176.300 -0.071 0.000 1.136 353 M CA 0.685 55.926 55.300 -0.097 0.000 1.026 353 M CB 0.381 32.859 32.600 -0.202 0.000 1.597 353 M HN 0.345 nan 8.290 nan 0.000 0.495 354 M N -2.595 116.980 119.600 -0.042 0.000 2.449 354 M HA 0.276 4.756 4.480 -0.000 0.000 0.410 354 M C 0.393 176.670 176.300 -0.038 0.000 1.079 354 M CA -0.558 54.724 55.300 -0.030 0.000 0.922 354 M CB -0.212 32.381 32.600 -0.011 0.000 1.676 354 M HN -0.088 nan 8.290 nan 0.000 0.572 355 T N -0.127 114.391 114.554 -0.061 0.000 0.000 355 T HA 0.692 5.042 4.350 -0.000 0.000 0.000 355 T C 0.420 175.072 174.700 -0.081 0.000 0.000 355 T CA 0.396 62.441 62.100 -0.093 0.000 0.000 355 T CB 0.669 69.415 68.868 -0.203 0.000 0.000 355 T HN 0.749 nan 8.240 nan 0.000 0.000 356 S N -1.323 nan 115.700 nan 0.000 0.000 356 S HA 0.716 5.186 4.470 -0.000 0.000 0.000 356 S C -0.397 nan 174.600 nan 0.000 0.000 356 S CA -0.332 57.828 58.200 -0.067 0.000 0.000 356 S CB -0.326 nan 63.200 nan 0.000 0.000 356 S HN 1.917 nan 8.310 nan 0.000 0.000 357 N N -1.812 nan 118.700 nan 0.000 0.000 357 N HA 1.119 5.859 4.740 -0.000 0.000 0.000 357 N C -0.560 nan 175.510 nan 0.000 0.000 357 N CA 0.959 53.980 53.050 -0.049 0.000 0.000 357 N CB -0.168 nan 38.487 nan 0.000 0.000 357 N HN 2.429 nan 8.380 nan 0.000 0.000 358 K N -2.201 nan 120.400 nan 0.000 0.000 358 K HA 1.131 5.451 4.320 -0.000 0.000 0.000 358 K C -0.196 nan 176.600 nan 0.000 0.000 358 K CA 1.316 57.586 56.287 -0.028 0.000 0.000 358 K CB -0.376 nan 32.500 nan 0.000 0.000 358 K HN 2.564 nan 8.250 nan 0.000 0.000 359 K N -2.117 nan 120.400 nan 0.000 0.000 359 K HA 1.150 5.470 4.320 -0.000 0.000 0.000 359 K C -0.791 nan 176.600 nan 0.000 0.000 359 K CA 0.499 56.770 56.287 -0.026 0.000 0.000 359 K CB -0.600 nan 32.500 nan 0.000 0.000 359 K HN 2.615 nan 8.250 nan 0.000 0.000 360 L N -2.614 nan 121.223 nan 0.000 0.000 360 L HA 1.083 5.423 4.340 -0.000 0.000 0.000 360 L C 0.152 nan 176.870 nan 0.000 0.000 360 L CA 0.344 55.172 54.840 -0.019 0.000 0.000 360 L CB -0.417 nan 42.059 nan 0.000 0.000 360 L HN 2.841 nan 8.230 nan 0.000 0.000 361 V N -3.581 nan 119.914 nan 0.000 0.000 361 V HA 1.305 5.425 4.120 -0.000 0.000 0.000 361 V C -0.254 nan 176.094 nan 0.000 0.000 361 V CA 0.460 62.746 62.300 -0.023 0.000 0.000 361 V CB 0.801 nan 31.823 nan 0.000 0.000 361 V HN 3.231 nan 8.190 nan 0.000 0.000 362 R N -0.726 nan 120.500 nan 0.000 0.000 362 R HA 1.216 5.556 4.340 -0.000 0.000 0.000 362 R C -0.236 nan 176.300 nan 0.000 0.000 362 R CA 0.652 56.736 56.100 -0.026 0.000 0.000 362 R CB 0.047 nan 30.300 nan 0.000 0.000 362 R HN 3.011 nan 8.270 nan 0.000 0.000 363 A N -1.867 nan 122.820 nan 0.000 0.000 363 A HA 0.976 5.296 4.320 -0.000 0.000 0.000 363 A C -0.644 nan 177.584 nan 0.000 0.000 363 A CA 1.140 53.170 52.037 -0.011 0.000 0.000 363 A CB -0.281 nan 19.000 nan 0.000 0.000 363 A HN 2.726 nan 8.150 nan 0.000 0.000 364 D N -2.274 nan 120.400 nan 0.000 0.000 364 D HA 1.040 5.680 4.640 -0.000 0.000 0.000 364 D C -0.310 nan 176.300 nan 0.000 0.000 364 D CA 0.897 54.901 54.000 0.005 0.000 0.000 364 D CB 0.058 nan 40.800 nan 0.000 0.000 364 D HN 2.630 nan 8.370 nan 0.000 0.000 365 S N -2.301 nan 115.700 nan 0.000 0.000 365 S HA 1.179 5.649 4.470 -0.000 0.000 0.000 365 S C -0.344 nan 174.600 nan 0.000 0.000 365 S CA 0.420 58.623 58.200 0.006 0.000 0.000 365 S CB -0.058 nan 63.200 nan 0.000 0.000 365 S HN 2.637 nan 8.310 nan 0.000 0.000 366 V N -2.402 nan 119.914 nan 0.000 0.000 366 V HA 1.167 5.287 4.120 -0.000 0.000 0.000 366 V C -0.131 nan 176.094 nan 0.000 0.000 366 V CA 0.535 62.825 62.300 -0.016 0.000 0.000 366 V CB 0.234 nan 31.823 nan 0.000 0.000 366 V HN 2.878 nan 8.190 nan 0.000 0.000 367 S N -0.031 nan 115.700 nan 0.000 0.000 367 S HA 0.925 5.395 4.470 -0.000 0.000 0.000 367 S C -0.897 nan 174.600 nan 0.000 0.000 367 S CA 0.572 58.760 58.200 -0.020 0.000 0.000 367 S CB 1.449 nan 63.200 nan 0.000 0.000 367 S HN 2.512 nan 8.310 nan 0.000 0.000 368 E N 0.682 120.870 120.200 -0.020 0.000 0.000 368 E HA 0.475 4.825 4.350 -0.000 0.000 0.000 368 E C -2.102 174.481 176.600 -0.027 0.000 0.000 368 E CA -0.151 56.236 56.400 -0.022 0.000 0.000 368 E CB -0.001 29.686 29.700 -0.020 0.000 0.000 368 E HN 0.738 nan 8.360 nan 0.000 0.000 369 L N 4.770 125.976 121.223 -0.028 0.000 2.343 369 L HA 0.681 5.021 4.340 -0.000 0.000 0.275 369 L C -1.860 174.994 176.870 -0.027 0.000 1.056 369 L CA -2.174 52.648 54.840 -0.030 0.000 0.804 369 L CB 1.088 43.130 42.059 -0.028 0.000 1.203 369 L HN 0.435 nan 8.230 nan 0.000 0.440 370 P HA 0.092 nan 4.420 nan 0.000 0.271 370 P C -0.687 176.603 177.300 -0.017 0.000 1.216 370 P CA -0.262 62.825 63.100 -0.021 0.000 0.776 370 P CB 0.733 32.420 31.700 -0.022 0.000 0.881 371 A N 5.426 128.239 122.820 -0.012 0.000 2.531 371 A HA 0.274 4.594 4.320 -0.000 0.000 0.236 371 A C -1.957 175.637 177.584 0.017 0.000 1.062 371 A CA -0.756 51.278 52.037 -0.006 0.000 0.760 371 A CB -1.250 17.750 19.000 0.001 0.000 0.995 371 A HN 0.422 nan 8.150 nan 0.000 0.501 372 P HA 0.198 nan 4.420 nan 0.000 0.268 372 P C -0.591 176.814 177.300 0.174 0.000 1.204 372 P CA 0.169 63.319 63.100 0.082 0.000 0.768 372 P CB 0.467 32.203 31.700 0.059 0.000 0.842 373 R N 2.297 122.876 120.500 0.131 0.000 2.349 373 R HA 0.506 4.846 4.340 -0.000 0.000 0.299 373 R C 0.078 176.394 176.300 0.026 0.000 1.027 373 R CA -0.961 55.188 56.100 0.081 0.000 0.958 373 R CB 1.301 31.588 30.300 -0.022 0.000 1.047 373 R HN 0.388 nan 8.270 nan 0.000 0.468 374 R N 3.349 123.769 120.500 -0.134 0.000 2.340 374 R HA 0.202 4.541 4.340 -0.000 0.000 0.300 374 R C -0.515 175.553 176.300 -0.388 0.000 1.069 374 R CA -0.442 55.316 56.100 -0.571 0.000 0.984 374 R CB 0.641 30.603 30.300 -0.562 0.000 1.003 374 R HN 0.616 nan 8.270 nan 0.000 0.459 375 L N 5.302 126.274 121.223 -0.418 0.000 2.367 375 L HA 0.304 4.644 4.340 -0.000 0.000 0.275 375 L C 0.630 177.139 176.870 -0.601 0.000 1.129 375 L CA -0.388 54.168 54.840 -0.474 0.000 0.839 375 L CB 0.754 42.523 42.059 -0.483 0.000 1.133 375 L HN 0.537 nan 8.230 nan 0.000 0.453 376 R N 2.396 122.522 120.500 -0.624 0.000 2.573 376 R HA 0.493 4.833 4.340 -0.000 0.000 0.272 376 R C -1.265 174.622 176.300 -0.688 0.000 1.009 376 R CA -0.486 55.324 56.100 -0.484 0.000 1.059 376 R CB 1.504 31.660 30.300 -0.241 0.000 1.112 376 R HN 0.510 nan 8.270 nan 0.000 0.517 377 W N -0.021 121.298 121.300 0.032 0.000 3.032 377 W HA 0.355 5.015 4.660 -0.000 0.000 0.335 377 W C -0.207 176.341 176.519 0.049 0.000 1.154 377 W CA -0.846 56.534 57.345 0.059 0.000 1.204 377 W CB 1.450 30.970 29.460 0.099 0.000 1.416 377 W HN 0.199 nan 8.180 nan 0.000 0.521 378 K N 2.084 122.672 120.400 0.312 0.000 2.389 378 K HA 0.506 4.825 4.320 -0.000 0.000 0.261 378 K C -1.266 175.444 176.600 0.183 0.000 1.014 378 K CA -0.234 56.164 56.287 0.186 0.000 0.920 378 K CB 0.713 33.294 32.500 0.135 0.000 1.149 378 K HN 0.573 nan 8.250 nan 0.000 0.444 379 C N 4.999 124.386 119.300 0.146 0.000 2.255 379 C HA 0.634 5.094 4.460 -0.000 0.000 0.326 379 C C 0.180 175.208 174.990 0.064 0.000 1.258 379 C CA -0.328 58.753 59.018 0.105 0.000 1.676 379 C CB -1.132 26.664 27.740 0.094 0.000 2.314 379 C HN 0.980 nan 8.230 nan 0.000 0.509 380 S N 5.658 121.386 115.700 0.046 0.000 2.745 380 S HA 0.581 5.051 4.470 -0.000 0.000 0.292 380 S C -2.045 172.547 174.600 -0.013 0.000 1.133 380 S CA -1.019 57.193 58.200 0.019 0.000 0.998 380 S CB 1.099 64.311 63.200 0.019 0.000 1.087 380 S HN 0.521 nan 8.310 nan 0.000 0.551 381 P HA -0.051 nan 4.420 nan 0.000 0.218 381 P C 0.983 178.223 177.300 -0.100 0.000 1.148 381 P CA 1.227 64.300 63.100 -0.045 0.000 0.822 381 P CB 0.010 31.690 31.700 -0.033 0.000 0.784 382 E N -1.146 118.978 120.200 -0.128 0.000 2.047 382 E HA -0.123 4.227 4.350 -0.000 0.000 0.191 382 E C 1.936 178.263 176.600 -0.455 0.000 0.987 382 E CA 1.604 57.836 56.400 -0.281 0.000 0.799 382 E CB -0.848 28.736 29.700 -0.193 0.000 0.752 382 E HN 0.191 nan 8.360 nan 0.000 0.449 383 T N 1.107 115.545 114.554 -0.194 0.000 2.759 383 T HA -0.206 4.144 4.350 -0.000 0.000 0.269 383 T C 1.805 176.469 174.700 -0.061 0.000 1.042 383 T CA 1.179 63.239 62.100 -0.067 0.000 1.140 383 T CB -0.152 68.740 68.868 0.040 0.000 0.864 383 T HN 0.119 nan 8.240 nan 0.000 0.455 384 Q N 0.906 120.666 119.800 -0.067 0.000 2.124 384 Q HA -0.094 4.245 4.340 -0.000 0.000 0.202 384 Q C 2.525 178.496 176.000 -0.049 0.000 0.977 384 Q CA 1.909 57.689 55.803 -0.039 0.000 0.850 384 Q CB -0.766 27.954 28.738 -0.029 0.000 0.901 384 Q HN 0.589 nan 8.270 nan 0.000 0.429 385 G N -0.681 108.051 108.800 -0.113 0.000 2.402 385 G HA2 -0.240 3.719 3.960 -0.000 0.000 0.216 385 G HA3 -0.240 3.719 3.960 -0.000 0.000 0.216 385 G C 1.115 176.023 174.900 0.013 0.000 1.162 385 G CA 0.916 45.965 45.100 -0.085 0.000 0.777 385 G HN 0.565 nan 8.290 nan 0.000 0.539 386 H N -0.232 118.840 119.070 0.004 0.000 2.423 386 H HA 0.123 4.679 4.556 -0.000 0.000 0.297 386 H C 2.589 177.905 175.328 -0.020 0.000 1.075 386 H CA 0.340 56.390 56.048 0.003 0.000 1.342 386 H CB 0.074 29.854 29.762 0.029 0.000 1.395 386 H HN 0.222 nan 8.280 nan 0.000 0.530 387 L N 0.255 121.530 121.223 0.087 0.000 2.056 387 L HA -0.151 4.189 4.340 -0.000 0.000 0.207 387 L C 2.847 179.718 176.870 0.003 0.000 1.078 387 L CA 0.798 55.648 54.840 0.016 0.000 0.749 387 L CB -0.370 41.687 42.059 -0.003 0.000 0.901 387 L HN 0.332 nan 8.230 nan 0.000 0.433 388 A N -0.808 122.018 122.820 0.009 0.000 1.902 388 A HA -0.184 4.135 4.320 -0.000 0.000 0.217 388 A C 2.494 180.078 177.584 -0.001 0.000 1.181 388 A CA 2.021 54.057 52.037 -0.000 0.000 0.623 388 A CB -0.562 18.437 19.000 -0.001 0.000 0.818 388 A HN 0.370 nan 8.150 nan 0.000 0.443 389 S N 0.164 115.874 115.700 0.018 0.000 2.348 389 S HA -0.130 4.340 4.470 -0.000 0.000 0.221 389 S C 2.320 176.907 174.600 -0.021 0.000 1.033 389 S CA 1.541 59.745 58.200 0.008 0.000 1.010 389 S CB -0.364 62.859 63.200 0.038 0.000 0.891 389 S HN 0.642 nan 8.310 nan 0.000 0.442 390 S N 1.729 117.413 115.700 -0.028 0.000 2.370 390 S HA -0.099 4.371 4.470 -0.000 0.000 0.226 390 S C 2.259 176.816 174.600 -0.071 0.000 1.033 390 S CA 1.026 59.185 58.200 -0.069 0.000 1.011 390 S CB -0.583 62.559 63.200 -0.095 0.000 0.852 390 S HN 0.603 nan 8.310 nan 0.000 0.457 391 A N 1.350 124.138 122.820 -0.053 0.000 1.883 391 A HA -0.196 4.124 4.320 -0.000 0.000 0.217 391 A C 2.078 179.631 177.584 -0.052 0.000 1.186 391 A CA 1.787 53.794 52.037 -0.050 0.000 0.624 391 A CB -0.645 18.335 19.000 -0.034 0.000 0.822 391 A HN 0.580 nan 8.150 nan 0.000 0.444 392 E N -0.630 119.544 120.200 -0.045 0.000 2.072 392 E HA -0.236 4.114 4.350 -0.000 0.000 0.191 392 E C 2.028 178.591 176.600 -0.061 0.000 0.985 392 E CA 1.453 57.825 56.400 -0.046 0.000 0.801 392 E CB -0.060 29.618 29.700 -0.036 0.000 0.750 392 E HN 0.415 nan 8.360 nan 0.000 0.452 393 K N 0.516 120.876 120.400 -0.067 0.000 2.063 393 K HA -0.159 4.160 4.320 -0.000 0.000 0.208 393 K C 2.036 178.575 176.600 -0.100 0.000 1.048 393 K CA 0.815 57.052 56.287 -0.083 0.000 0.928 393 K CB -0.441 32.007 32.500 -0.087 0.000 0.713 393 K HN 0.100 nan 8.250 nan 0.000 0.442 394 L N 0.695 121.856 121.223 -0.104 0.000 2.046 394 L HA -0.156 4.183 4.340 -0.000 0.000 0.208 394 L C 1.919 178.712 176.870 -0.127 0.000 1.077 394 L CA 1.743 56.511 54.840 -0.120 0.000 0.747 394 L CB -0.578 41.416 42.059 -0.108 0.000 0.896 394 L HN 0.211 nan 8.230 nan 0.000 0.432 395 Q N -0.037 119.700 119.800 -0.104 0.000 2.135 395 Q HA -0.205 4.135 4.340 -0.000 0.000 0.204 395 Q C 2.372 178.315 176.000 -0.096 0.000 0.981 395 Q CA 1.619 57.361 55.803 -0.102 0.000 0.856 395 Q CB -0.308 28.387 28.738 -0.070 0.000 0.902 395 Q HN 0.563 nan 8.270 nan 0.000 0.425 396 R N -0.197 120.252 120.500 -0.085 0.000 2.096 396 R HA -0.048 4.292 4.340 -0.000 0.000 0.235 396 R C 2.393 178.647 176.300 -0.076 0.000 1.127 396 R CA 1.038 57.092 56.100 -0.075 0.000 0.968 396 R CB -0.309 29.940 30.300 -0.084 0.000 0.861 396 R HN 0.273 nan 8.270 nan 0.000 0.440 397 I N 0.207 120.719 120.570 -0.096 0.000 2.252 397 I HA -0.236 3.934 4.170 -0.000 0.000 0.245 397 I C 2.254 178.330 176.117 -0.068 0.000 1.102 397 I CA 1.052 62.310 61.300 -0.069 0.000 1.385 397 I CB -0.232 37.720 38.000 -0.080 0.000 1.064 397 I HN -0.026 nan 8.210 nan 0.000 0.414 398 V N 1.179 120.963 119.914 -0.216 0.000 2.287 398 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 398 V C 2.515 178.564 176.094 -0.075 0.000 1.053 398 V CA 2.099 64.172 62.300 -0.378 0.000 1.027 398 V CB -0.703 30.846 31.823 -0.456 0.000 0.646 398 V HN 0.432 nan 8.190 nan 0.000 0.447 399 K N -0.020 120.362 120.400 -0.030 0.000 2.211 399 K HA -0.170 4.150 4.320 -0.000 0.000 0.203 399 K C 1.952 178.653 176.600 0.168 0.000 1.050 399 K CA 1.601 57.918 56.287 0.051 0.000 0.945 399 K CB -0.229 32.277 32.500 0.010 0.000 0.732 399 K HN 0.550 nan 8.250 nan 0.000 0.451 400 N N 0.253 119.039 118.700 0.144 0.000 2.376 400 N HA -0.077 4.663 4.740 -0.000 0.000 0.177 400 N C -0.074 175.607 175.510 0.286 0.000 1.024 400 N CA -0.164 53.016 53.050 0.216 0.000 0.893 400 N CB 0.163 38.696 38.487 0.076 0.000 0.980 400 N HN 0.043 nan 8.380 nan 0.000 0.439 401 L N 2.057 123.433 121.223 0.255 0.000 2.418 401 L HA 0.087 4.427 4.340 -0.000 0.000 0.274 401 L C -0.715 176.202 176.870 0.079 0.000 1.135 401 L CA 0.403 55.369 54.840 0.209 0.000 0.870 401 L CB 0.621 42.832 42.059 0.254 0.000 1.154 401 L HN -0.053 nan 8.230 nan 0.000 0.462 402 D N 5.196 125.507 120.400 -0.148 0.000 2.427 402 D HA 0.258 4.898 4.640 -0.000 0.000 0.226 402 D C -1.442 174.890 176.300 0.054 0.000 1.076 402 D CA -0.076 53.766 54.000 -0.264 0.000 0.849 402 D CB 0.293 40.710 40.800 -0.638 0.000 1.052 402 D HN 0.334 nan 8.370 nan 0.000 0.515 403 F N 4.072 124.021 119.950 -0.002 0.000 2.588 403 F HA 0.678 5.205 4.527 -0.000 0.000 0.314 403 F C -1.557 174.280 175.800 0.061 0.000 1.069 403 F CA -1.003 57.013 58.000 0.025 0.000 0.931 403 F CB 1.445 40.462 39.000 0.029 0.000 1.260 403 F HN 0.294 nan 8.300 nan 0.000 0.465 404 I N 4.679 124.630 120.570 -1.032 0.000 2.743 404 I HA 0.418 4.588 4.170 -0.000 0.000 0.292 404 I C -1.814 173.857 176.117 -0.743 0.000 1.343 404 I CA -0.739 60.193 61.300 -0.613 0.000 1.038 404 I CB 2.091 39.967 38.000 -0.208 0.000 1.311 404 I HN 0.343 nan 8.210 nan 0.000 0.426 405 V N 7.548 127.241 119.914 -0.369 0.000 2.318 405 V HA 0.232 4.352 4.120 -0.000 0.000 0.271 405 V C -0.847 175.204 176.094 -0.072 0.000 1.030 405 V CA -0.373 61.772 62.300 -0.258 0.000 0.844 405 V CB 0.765 32.439 31.823 -0.247 0.000 1.015 405 V HN 0.521 nan 8.190 nan 0.000 0.460 406 Y N 4.997 125.224 120.300 -0.122 0.000 2.353 406 Y HA 0.508 5.058 4.550 -0.000 0.000 0.340 406 Y C 0.247 176.184 175.900 0.062 0.000 0.972 406 Y CA -0.799 57.287 58.100 -0.023 0.000 1.157 406 Y CB 1.131 39.585 38.460 -0.011 0.000 1.157 406 Y HN 0.519 nan 8.280 nan 0.000 0.495 407 K N 6.903 127.071 120.400 -0.386 0.000 2.281 407 K HA 0.220 4.540 4.320 -0.000 0.000 0.272 407 K C -1.499 174.842 176.600 -0.431 0.000 1.048 407 K CA -0.580 55.534 56.287 -0.288 0.000 0.898 407 K CB 0.456 32.836 32.500 -0.201 0.000 1.128 407 K HN 0.577 nan 8.250 nan 0.000 0.460 408 F N 4.516 124.269 119.950 -0.328 0.000 2.375 408 F HA 0.150 4.677 4.527 -0.000 0.000 0.362 408 F C 0.309 175.999 175.800 -0.182 0.000 1.129 408 F CA -0.937 56.912 58.000 -0.251 0.000 1.154 408 F CB 0.540 39.557 39.000 0.030 0.000 1.205 408 F HN 0.593 nan 8.300 nan 0.000 0.513 409 D N 1.388 121.433 120.400 -0.591 0.000 2.369 409 D HA 0.016 4.656 4.640 -0.000 0.000 0.211 409 D C 0.749 176.702 176.300 -0.578 0.000 1.077 409 D CA 0.291 54.008 54.000 -0.472 0.000 0.842 409 D CB -0.463 40.172 40.800 -0.276 0.000 0.947 409 D HN 0.447 nan 8.370 nan 0.000 0.509 410 N N -0.357 117.724 118.700 -1.032 0.000 2.244 410 N HA 0.023 4.763 4.740 -0.000 0.000 0.183 410 N C -0.280 175.040 175.510 -0.316 0.000 1.016 410 N CA 1.407 54.066 53.050 -0.652 0.000 0.866 410 N CB -0.165 37.941 38.487 -0.636 0.000 0.980 410 N HN 0.534 nan 8.380 nan 0.000 0.430 411 Y N -4.976 115.050 120.300 -0.455 0.000 2.891 411 Y HA 0.640 5.190 4.550 -0.000 0.000 0.361 411 Y C -0.140 175.791 175.900 0.052 0.000 1.255 411 Y CA -1.105 56.909 58.100 -0.143 0.000 1.103 411 Y CB 0.408 38.762 38.460 -0.177 0.000 1.454 411 Y HN -0.120 nan 8.280 nan 0.000 0.449 412 G N 0.521 109.559 108.800 0.398 0.000 3.000 412 G HA2 0.274 4.234 3.960 -0.000 0.000 0.170 412 G HA3 0.274 4.234 3.960 -0.000 0.000 0.170 412 G C -0.448 174.641 174.900 0.314 0.000 1.160 412 G CA -0.567 44.711 45.100 0.296 0.000 0.945 412 G HN 0.592 nan 8.290 nan 0.000 0.593 413 K N -0.072 120.438 120.400 0.183 0.000 2.103 413 K HA -0.100 4.220 4.320 -0.000 0.000 0.207 413 K C 2.819 179.477 176.600 0.096 0.000 1.048 413 K CA 2.234 58.596 56.287 0.126 0.000 0.930 413 K CB -0.333 32.224 32.500 0.096 0.000 0.716 413 K HN 0.525 nan 8.250 nan 0.000 0.444 414 T N -0.567 114.053 114.554 0.110 0.000 2.788 414 T HA -0.188 4.162 4.350 -0.000 0.000 0.268 414 T C 1.759 176.497 174.700 0.063 0.000 1.044 414 T CA 0.937 63.081 62.100 0.073 0.000 1.139 414 T CB -0.446 68.469 68.868 0.078 0.000 0.867 414 T HN 0.185 nan 8.240 nan 0.000 0.454 415 F N 2.205 122.142 119.950 -0.023 0.000 2.084 415 F HA 0.138 4.665 4.527 -0.000 0.000 0.296 415 F C 2.056 177.747 175.800 -0.181 0.000 1.111 415 F CA 0.807 58.735 58.000 -0.120 0.000 1.224 415 F CB -0.466 38.404 39.000 -0.218 0.000 0.991 415 F HN 0.097 nan 8.300 nan 0.000 0.471 416 I N 0.259 120.704 120.570 -0.208 0.000 2.208 416 I HA -0.330 3.840 4.170 -0.000 0.000 0.245 416 I C 2.403 178.353 176.117 -0.278 0.000 1.097 416 I CA 1.754 62.813 61.300 -0.402 0.000 1.363 416 I CB -0.598 37.224 38.000 -0.296 0.000 1.051 416 I HN 0.120 nan 8.210 nan 0.000 0.413 417 K N 1.439 121.747 120.400 -0.153 0.000 2.097 417 K HA -0.155 4.165 4.320 -0.000 0.000 0.206 417 K C 1.977 178.472 176.600 -0.175 0.000 1.049 417 K CA 1.382 57.604 56.287 -0.108 0.000 0.933 417 K CB 0.026 32.499 32.500 -0.044 0.000 0.717 417 K HN 0.149 nan 8.250 nan 0.000 0.442 418 K N -0.319 119.940 120.400 -0.234 0.000 2.362 418 K HA -0.110 4.209 4.320 -0.000 0.000 0.200 418 K C 1.602 178.001 176.600 -0.336 0.000 1.046 418 K CA 0.825 56.964 56.287 -0.247 0.000 0.952 418 K CB 0.133 32.496 32.500 -0.228 0.000 0.753 418 K HN 0.058 nan 8.250 nan 0.000 0.466 419 Q N 0.462 119.989 119.800 -0.456 0.000 2.360 419 Q HA 0.062 4.402 4.340 -0.000 0.000 0.202 419 Q C -0.489 175.148 176.000 -0.604 0.000 0.915 419 Q CA 0.412 55.899 55.803 -0.526 0.000 0.943 419 Q CB 0.255 28.656 28.738 -0.562 0.000 1.064 419 Q HN 0.098 nan 8.270 nan 0.000 0.511 420 K N -1.875 118.294 120.400 -0.385 0.000 3.339 420 K HA -0.234 4.086 4.320 -0.000 0.000 0.299 420 K C -0.959 175.517 176.600 -0.207 0.000 1.270 420 K CA 0.539 56.655 56.287 -0.285 0.000 0.875 420 K CB -2.107 30.217 32.500 -0.294 0.000 1.298 420 K HN 0.275 nan 8.250 nan 0.000 0.485 421 Y N 0.125 120.397 120.300 -0.047 0.000 2.496 421 Y HA 0.327 4.877 4.550 -0.000 0.000 0.331 421 Y C 0.959 176.877 175.900 0.030 0.000 1.140 421 Y CA -1.316 56.797 58.100 0.020 0.000 1.166 421 Y CB 1.886 40.411 38.460 0.109 0.000 1.249 421 Y HN -0.007 nan 8.280 nan 0.000 0.479 422 S N 2.493 118.351 115.700 0.263 0.000 2.528 422 S HA 0.142 4.612 4.470 -0.000 0.000 0.277 422 S C -1.861 172.860 174.600 0.201 0.000 1.297 422 S CA -1.412 56.894 58.200 0.176 0.000 1.052 422 S CB 0.819 64.105 63.200 0.143 0.000 0.917 422 S HN 0.402 nan 8.310 nan 0.000 0.492 423 P HA -0.080 nan 4.420 nan 0.000 0.216 423 P C 0.818 178.252 177.300 0.223 0.000 1.150 423 P CA 0.966 64.175 63.100 0.181 0.000 0.837 423 P CB 0.136 31.921 31.700 0.143 0.000 0.786 424 D N -0.959 119.565 120.400 0.207 0.000 2.084 424 D HA -0.105 4.535 4.640 -0.000 0.000 0.196 424 D C 2.244 178.646 176.300 0.171 0.000 0.985 424 D CA 1.693 55.832 54.000 0.231 0.000 0.826 424 D CB -0.965 39.962 40.800 0.212 0.000 0.978 424 D HN -0.003 nan 8.370 nan 0.000 0.456 425 G N -0.822 108.061 108.800 0.139 0.000 2.422 425 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.218 425 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.218 425 G C 1.505 176.429 174.900 0.041 0.000 1.146 425 G CA 0.513 45.655 45.100 0.071 0.000 0.769 425 G HN 0.336 nan 8.290 nan 0.000 0.547 426 F N 1.218 121.148 119.950 -0.033 0.000 2.102 426 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 426 F C 2.477 178.258 175.800 -0.031 0.000 1.105 426 F CA 1.213 59.185 58.000 -0.046 0.000 1.239 426 F CB -0.067 38.969 39.000 0.060 0.000 0.991 426 F HN 0.085 nan 8.300 nan 0.000 0.474 427 I N -0.177 120.520 120.570 0.210 0.000 2.315 427 I HA -0.268 3.902 4.170 -0.000 0.000 0.248 427 I C 2.305 178.360 176.117 -0.102 0.000 1.117 427 I CA 0.808 62.120 61.300 0.019 0.000 1.404 427 I CB -0.525 37.346 38.000 -0.215 0.000 1.071 427 I HN 0.204 nan 8.210 nan 0.000 0.419 428 Q N 0.276 120.040 119.800 -0.061 0.000 2.119 428 Q HA -0.118 4.222 4.340 -0.000 0.000 0.201 428 Q C 2.522 178.485 176.000 -0.061 0.000 0.972 428 Q CA 1.306 57.093 55.803 -0.027 0.000 0.847 428 Q CB -0.387 28.361 28.738 0.017 0.000 0.903 428 Q HN 0.397 nan 8.270 nan 0.000 0.433 429 V N 1.166 121.001 119.914 -0.131 0.000 2.343 429 V HA -0.241 3.879 4.120 -0.000 0.000 0.247 429 V C 2.405 178.429 176.094 -0.117 0.000 1.051 429 V CA 1.681 63.883 62.300 -0.164 0.000 1.036 429 V CB -1.072 30.538 31.823 -0.354 0.000 0.654 429 V HN 0.305 nan 8.190 nan 0.000 0.451 430 A N -0.124 122.584 122.820 -0.187 0.000 1.908 430 A HA -0.178 4.142 4.320 -0.000 0.000 0.218 430 A C 2.213 179.718 177.584 -0.132 0.000 1.181 430 A CA 1.842 53.780 52.037 -0.164 0.000 0.627 430 A CB -0.572 18.312 19.000 -0.194 0.000 0.818 430 A HN 0.508 nan 8.150 nan 0.000 0.445 431 L N -0.753 120.415 121.223 -0.093 0.000 2.083 431 L HA -0.220 4.120 4.340 -0.000 0.000 0.209 431 L C 2.818 179.750 176.870 0.103 0.000 1.083 431 L CA 1.080 55.912 54.840 -0.014 0.000 0.752 431 L CB -0.477 41.640 42.059 0.097 0.000 0.899 431 L HN 0.395 nan 8.230 nan 0.000 0.433 432 Q N -0.485 119.362 119.800 0.079 0.000 2.167 432 Q HA -0.167 4.173 4.340 -0.000 0.000 0.202 432 Q C 2.226 178.327 176.000 0.168 0.000 0.970 432 Q CA 1.229 57.111 55.803 0.132 0.000 0.855 432 Q CB -0.323 28.458 28.738 0.071 0.000 0.911 432 Q HN 0.373 nan 8.270 nan 0.000 0.438 433 L N 0.614 121.886 121.223 0.082 0.000 2.072 433 L HA 0.012 4.351 4.340 -0.000 0.000 0.205 433 L C 2.102 179.001 176.870 0.048 0.000 1.079 433 L CA 1.910 56.785 54.840 0.057 0.000 0.752 433 L CB -0.917 41.135 42.059 -0.012 0.000 0.906 433 L HN 0.091 nan 8.230 nan 0.000 0.436 434 A N -1.291 121.494 122.820 -0.058 0.000 1.908 434 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 434 A C 2.323 179.919 177.584 0.020 0.000 1.181 434 A CA 2.035 53.951 52.037 -0.202 0.000 0.627 434 A CB -1.232 17.405 19.000 -0.606 0.000 0.818 434 A HN 0.613 nan 8.150 nan 0.000 0.445 435 Y N -1.902 118.509 120.300 0.184 0.000 2.200 435 Y HA -0.202 4.348 4.550 -0.000 0.000 0.290 435 Y C 2.263 178.357 175.900 0.323 0.000 1.137 435 Y CA 2.024 60.346 58.100 0.370 0.000 1.163 435 Y CB -0.418 38.220 38.460 0.295 0.000 0.988 435 Y HN 0.426 nan 8.280 nan 0.000 0.518 436 Y N 1.805 122.263 120.300 0.263 0.000 2.181 436 Y HA -0.241 4.309 4.550 -0.000 0.000 0.288 436 Y C 2.571 178.496 175.900 0.041 0.000 1.146 436 Y CA 2.193 60.391 58.100 0.163 0.000 1.164 436 Y CB -0.388 38.131 38.460 0.098 0.000 0.982 436 Y HN 0.170 nan 8.280 nan 0.000 0.515 437 R N -0.242 120.281 120.500 0.039 0.000 2.285 437 R HA -0.094 4.245 4.340 -0.000 0.000 0.213 437 R C 1.422 177.605 176.300 -0.194 0.000 1.068 437 R CA 1.649 57.697 56.100 -0.086 0.000 1.004 437 R CB -0.634 29.633 30.300 -0.055 0.000 0.873 437 R HN 0.420 nan 8.270 nan 0.000 0.467 438 L N -1.062 120.023 121.223 -0.230 0.000 2.388 438 L HA 0.150 4.490 4.340 -0.000 0.000 0.209 438 L C 1.056 177.545 176.870 -0.635 0.000 1.061 438 L CA 0.477 55.058 54.840 -0.432 0.000 0.834 438 L CB 0.197 41.960 42.059 -0.493 0.000 1.029 438 L HN 0.071 nan 8.230 nan 0.000 0.473 439 Y N -0.877 119.214 120.300 -0.348 0.000 2.426 439 Y HA 0.181 4.731 4.550 -0.000 0.000 0.249 439 Y C 0.399 176.135 175.900 -0.274 0.000 1.103 439 Y CA -0.726 57.207 58.100 -0.279 0.000 1.256 439 Y CB 0.291 38.572 38.460 -0.299 0.000 1.208 439 Y HN 0.047 nan 8.280 nan 0.000 0.519 440 Q N 1.132 120.699 119.800 -0.389 0.000 2.478 440 Q HA -0.228 4.112 4.340 -0.000 0.000 0.286 440 Q C -0.296 175.488 176.000 -0.359 0.000 1.299 440 Q CA 1.003 56.357 55.803 -0.749 0.000 0.826 440 Q CB -1.341 27.168 28.738 -0.381 0.000 1.199 440 Q HN 0.677 nan 8.270 nan 0.000 0.451 441 R N -1.827 118.645 120.500 -0.048 0.000 2.828 441 R HA 0.595 4.934 4.340 -0.000 0.000 0.280 441 R C -1.781 174.824 176.300 0.507 0.000 1.020 441 R CA -1.082 55.225 56.100 0.345 0.000 0.855 441 R CB 0.730 31.161 30.300 0.218 0.000 1.278 441 R HN 0.062 nan 8.270 nan 0.000 0.495 442 L N 1.395 122.849 121.223 0.385 0.000 2.332 442 L HA 0.811 5.151 4.340 -0.000 0.000 0.269 442 L C -0.017 176.886 176.870 0.054 0.000 1.016 442 L CA -1.271 53.718 54.840 0.248 0.000 0.809 442 L CB 2.006 44.194 42.059 0.215 0.000 1.280 442 L HN 0.640 nan 8.230 nan 0.000 0.447 443 V N -1.555 118.262 119.914 -0.162 0.000 3.130 443 V HA 0.577 4.697 4.120 -0.000 0.000 0.310 443 V C -2.731 173.287 176.094 -0.127 0.000 1.158 443 V CA -2.677 59.512 62.300 -0.184 0.000 1.029 443 V CB 1.479 33.102 31.823 -0.334 0.000 1.057 443 V HN 0.507 nan 8.190 nan 0.000 0.436 444 P HA 0.258 nan 4.420 nan 0.000 0.260 444 P C -0.338 177.064 177.300 0.171 0.000 1.185 444 P CA 0.792 63.928 63.100 0.060 0.000 0.763 444 P CB 0.136 31.852 31.700 0.028 0.000 0.776 445 T N 3.300 117.943 114.554 0.149 0.000 2.912 445 T HA 0.423 4.773 4.350 -0.000 0.000 0.288 445 T C -1.155 173.529 174.700 -0.027 0.000 1.030 445 T CA -0.267 61.885 62.100 0.087 0.000 1.020 445 T CB 0.861 69.722 68.868 -0.011 0.000 1.056 445 T HN 0.191 nan 8.240 nan 0.000 0.480 446 Y N 1.603 121.716 120.300 -0.311 0.000 2.376 446 Y HA 0.555 5.105 4.550 -0.000 0.000 0.340 446 Y C -0.379 175.370 175.900 -0.251 0.000 0.965 446 Y CA -0.801 56.939 58.100 -0.600 0.000 1.078 446 Y CB 1.320 39.123 38.460 -1.095 0.000 1.193 446 Y HN 0.699 nan 8.280 nan 0.000 0.452 447 E N 4.578 124.401 120.200 -0.629 0.000 2.260 447 E HA 0.300 4.650 4.350 -0.000 0.000 0.266 447 E C -1.439 174.843 176.600 -0.529 0.000 0.887 447 E CA -0.697 55.510 56.400 -0.323 0.000 0.777 447 E CB 1.579 31.201 29.700 -0.130 0.000 1.205 447 E HN 0.594 nan 8.360 nan 0.000 0.414 448 S N 2.672 118.217 115.700 -0.258 0.000 2.537 448 S HA 0.427 4.897 4.470 -0.000 0.000 0.286 448 S C -0.609 173.943 174.600 -0.080 0.000 1.299 448 S CA 0.242 58.367 58.200 -0.124 0.000 1.067 448 S CB 0.272 63.548 63.200 0.128 0.000 0.864 448 S HN 0.554 nan 8.310 nan 0.000 0.494 449 A N 4.175 126.950 122.820 -0.075 0.000 2.353 449 A HA 0.585 4.905 4.320 -0.000 0.000 0.299 449 A C -0.058 177.520 177.584 -0.009 0.000 1.089 449 A CA -0.632 51.391 52.037 -0.022 0.000 0.736 449 A CB 1.422 20.415 19.000 -0.011 0.000 1.195 449 A HN 0.749 nan 8.150 nan 0.000 0.447 450 S N 1.971 117.675 115.700 0.006 0.000 2.531 450 S HA 0.362 4.832 4.470 -0.000 0.000 0.279 450 S C 0.578 175.184 174.600 0.009 0.000 1.305 450 S CA -0.083 58.115 58.200 -0.003 0.000 1.058 450 S CB -0.319 62.884 63.200 0.006 0.000 0.899 450 S HN 1.032 nan 8.310 nan 0.000 0.493 451 I N 2.636 123.206 120.570 0.000 0.000 3.531 451 I HA 0.427 4.597 4.170 -0.000 0.000 0.341 451 I C 1.030 177.194 176.117 0.079 0.000 1.550 451 I CA -0.614 60.744 61.300 0.097 0.000 1.087 451 I CB 0.082 38.142 38.000 0.099 0.000 1.408 451 I HN 0.486 nan 8.210 nan 0.000 0.484 452 R N 1.099 121.591 120.500 -0.012 0.000 2.357 452 R HA 0.077 4.417 4.340 -0.000 0.000 0.202 452 R C 1.770 177.998 176.300 -0.119 0.000 1.047 452 R CA 0.537 56.615 56.100 -0.036 0.000 1.034 452 R CB -0.194 30.093 30.300 -0.023 0.000 0.875 452 R HN 0.488 nan 8.270 nan 0.000 0.473 453 R N -0.340 120.001 120.500 -0.265 0.000 2.193 453 R HA -0.049 4.291 4.340 -0.000 0.000 0.229 453 R C -0.016 175.895 176.300 -0.649 0.000 1.110 453 R CA 0.872 56.641 56.100 -0.551 0.000 0.988 453 R CB 0.045 29.834 30.300 -0.853 0.000 0.871 453 R HN 0.036 nan 8.270 nan 0.000 0.458 454 F N 0.395 120.306 119.950 -0.065 0.000 2.450 454 F HA 0.246 4.773 4.527 -0.000 0.000 0.328 454 F C 0.630 176.395 175.800 -0.059 0.000 1.068 454 F CA -1.222 56.742 58.000 -0.061 0.000 1.007 454 F CB 0.622 39.577 39.000 -0.074 0.000 1.251 454 F HN -0.258 nan 8.300 nan 0.000 0.492 455 Q N 1.200 121.091 119.800 0.152 0.000 2.283 455 Q HA -0.039 4.301 4.340 -0.000 0.000 0.301 455 Q C 0.151 176.170 176.000 0.033 0.000 1.063 455 Q CA 0.674 56.520 55.803 0.072 0.000 0.952 455 Q CB 0.052 28.828 28.738 0.064 0.000 1.166 455 Q HN 0.668 nan 8.270 nan 0.000 0.381 456 E N -0.397 119.820 120.200 0.028 0.000 3.065 456 E HA -0.230 4.120 4.350 -0.000 0.000 0.277 456 E C 0.208 176.781 176.600 -0.045 0.000 1.008 456 E CA 0.278 56.682 56.400 0.006 0.000 0.864 456 E CB -1.633 28.063 29.700 -0.007 0.000 1.439 456 E HN 0.818 nan 8.360 nan 0.000 0.445 457 G N 0.279 109.060 108.800 -0.031 0.000 2.305 457 G HA2 0.081 4.040 3.960 -0.000 0.000 0.243 457 G HA3 0.081 4.040 3.960 -0.000 0.000 0.243 457 G C 0.784 175.601 174.900 -0.139 0.000 1.288 457 G CA -0.112 44.941 45.100 -0.078 0.000 0.901 457 G HN -0.023 nan 8.290 nan 0.000 0.516 458 R N 1.080 121.399 120.500 -0.301 0.000 1.792 458 R HA 0.497 4.836 4.340 -0.000 0.000 0.139 458 R C 0.750 176.842 176.300 -0.347 0.000 2.091 458 R CA 0.825 56.691 56.100 -0.391 0.000 1.697 458 R CB -0.484 29.315 30.300 -0.836 0.000 1.340 458 R HN 0.808 nan 8.270 nan 0.000 0.481 459 V N -1.341 118.245 119.914 -0.546 0.000 3.206 459 V HA 0.655 4.775 4.120 -0.000 0.000 0.305 459 V C -1.249 174.703 176.094 -0.237 0.000 1.257 459 V CA -0.894 61.250 62.300 -0.260 0.000 1.057 459 V CB 2.647 34.442 31.823 -0.047 0.000 1.075 459 V HN 0.335 nan 8.190 nan 0.000 0.443 460 D N 0.432 120.785 120.400 -0.077 0.000 2.636 460 D HA 0.490 5.130 4.640 -0.000 0.000 0.275 460 D C -1.506 174.760 176.300 -0.057 0.000 1.130 460 D CA -0.427 53.570 54.000 -0.004 0.000 1.031 460 D CB 2.535 43.345 40.800 0.017 0.000 1.451 460 D HN 0.862 nan 8.370 nan 0.000 0.505 461 N N 0.137 118.807 118.700 -0.050 0.000 2.405 461 N HA 0.486 5.225 4.740 -0.000 0.000 0.299 461 N C -1.090 174.344 175.510 -0.127 0.000 1.075 461 N CA -0.341 52.531 53.050 -0.296 0.000 0.884 461 N CB 1.002 39.292 38.487 -0.328 0.000 1.194 461 N HN 0.327 nan 8.380 nan 0.000 0.491 462 I N 2.609 123.003 120.570 -0.293 0.000 2.339 462 I HA 0.330 4.499 4.170 -0.000 0.000 0.290 462 I C 0.217 176.007 176.117 -0.545 0.000 0.994 462 I CA -0.669 60.442 61.300 -0.315 0.000 1.191 462 I CB 1.194 39.095 38.000 -0.165 0.000 1.343 462 I HN 0.314 nan 8.210 nan 0.000 0.458 463 R N 4.325 124.259 120.500 -0.943 0.000 2.408 463 R HA 0.219 4.558 4.340 -0.000 0.000 0.308 463 R C 0.883 176.910 176.300 -0.455 0.000 1.210 463 R CA -0.178 55.595 56.100 -0.545 0.000 1.115 463 R CB 0.567 30.665 30.300 -0.337 0.000 1.127 463 R HN 0.608 nan 8.270 nan 0.000 0.523 464 S N 1.641 117.183 115.700 -0.263 0.000 2.474 464 S HA -0.112 4.358 4.470 -0.000 0.000 0.235 464 S C 1.275 175.836 174.600 -0.065 0.000 0.997 464 S CA 0.866 58.978 58.200 -0.146 0.000 0.949 464 S CB 0.217 63.370 63.200 -0.080 0.000 0.766 464 S HN 0.666 nan 8.310 nan 0.000 0.517 465 A N 3.045 125.848 122.820 -0.028 0.000 3.051 465 A HA 0.353 4.673 4.320 -0.000 0.000 0.257 465 A C 0.944 178.627 177.584 0.164 0.000 1.785 465 A CA -0.397 51.678 52.037 0.064 0.000 1.420 465 A CB -0.965 18.078 19.000 0.071 0.000 1.063 465 A HN 0.422 nan 8.150 nan 0.000 0.630 466 T N -2.381 112.205 114.554 0.054 0.000 2.816 466 T HA 0.388 4.737 4.350 -0.000 0.000 0.282 466 T C -1.738 172.849 174.700 -0.189 0.000 0.993 466 T CA -1.449 60.675 62.100 0.041 0.000 0.994 466 T CB 0.837 69.716 68.868 0.019 0.000 1.025 466 T HN 0.111 nan 8.240 nan 0.000 0.529 467 P HA -0.016 nan 4.420 nan 0.000 0.217 467 P C 1.213 178.361 177.300 -0.253 0.000 1.150 467 P CA 0.938 63.772 63.100 -0.443 0.000 0.832 467 P CB 0.040 31.626 31.700 -0.190 0.000 0.787 468 E N -0.301 119.820 120.200 -0.132 0.000 2.106 468 E HA -0.110 4.239 4.350 -0.000 0.000 0.192 468 E C 2.105 178.658 176.600 -0.078 0.000 0.984 468 E CA 1.433 57.781 56.400 -0.087 0.000 0.806 468 E CB -1.056 28.610 29.700 -0.057 0.000 0.750 468 E HN 0.148 nan 8.360 nan 0.000 0.458 469 A N 0.634 123.401 122.820 -0.087 0.000 1.930 469 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 469 A C 2.106 179.647 177.584 -0.072 0.000 1.175 469 A CA 0.976 52.988 52.037 -0.042 0.000 0.627 469 A CB -0.531 18.445 19.000 -0.040 0.000 0.815 469 A HN 0.268 nan 8.150 nan 0.000 0.443 470 L N -0.038 121.078 121.223 -0.178 0.000 2.046 470 L HA -0.086 4.254 4.340 -0.000 0.000 0.208 470 L C 2.617 179.341 176.870 -0.244 0.000 1.077 470 L CA 2.239 56.929 54.840 -0.250 0.000 0.747 470 L CB -0.848 41.017 42.059 -0.322 0.000 0.896 470 L HN 0.333 nan 8.230 nan 0.000 0.432 471 A N -0.960 121.764 122.820 -0.161 0.000 1.902 471 A HA -0.263 4.057 4.320 -0.000 0.000 0.217 471 A C 2.268 179.805 177.584 -0.079 0.000 1.181 471 A CA 1.878 53.849 52.037 -0.110 0.000 0.623 471 A CB -1.186 17.775 19.000 -0.065 0.000 0.818 471 A HN 0.561 nan 8.150 nan 0.000 0.443 472 F N 1.309 121.147 119.950 -0.187 0.000 2.102 472 F HA -0.172 4.355 4.527 -0.000 0.000 0.298 472 F C 2.336 178.013 175.800 -0.204 0.000 1.105 472 F CA 2.111 60.006 58.000 -0.176 0.000 1.239 472 F CB -0.480 38.418 39.000 -0.170 0.000 0.991 472 F HN 0.126 nan 8.300 nan 0.000 0.474 473 V N -0.941 118.733 119.914 -0.401 0.000 2.515 473 V HA -0.250 3.870 4.120 -0.000 0.000 0.250 473 V C 2.007 177.767 176.094 -0.558 0.000 1.058 473 V CA 1.987 63.956 62.300 -0.553 0.000 1.064 473 V CB -1.272 30.258 31.823 -0.488 0.000 0.675 473 V HN 0.511 nan 8.190 nan 0.000 0.461 474 Q N 1.025 120.500 119.800 -0.541 0.000 2.079 474 Q HA 0.004 4.344 4.340 -0.000 0.000 0.200 474 Q C 2.473 178.373 176.000 -0.166 0.000 0.974 474 Q CA 1.788 57.406 55.803 -0.309 0.000 0.840 474 Q CB -0.440 28.163 28.738 -0.226 0.000 0.898 474 Q HN 0.755 nan 8.270 nan 0.000 0.430 475 A N 0.298 122.981 122.820 -0.229 0.000 2.066 475 A HA -0.092 4.228 4.320 -0.000 0.000 0.218 475 A C 1.914 179.285 177.584 -0.355 0.000 1.157 475 A CA 0.924 52.835 52.037 -0.210 0.000 0.670 475 A CB -0.124 18.766 19.000 -0.183 0.000 0.804 475 A HN 0.218 nan 8.150 nan 0.000 0.453 476 M N -0.351 118.978 119.600 -0.452 0.000 2.447 476 M HA -0.014 4.466 4.480 -0.000 0.000 0.264 476 M C 1.826 178.012 176.300 -0.190 0.000 1.095 476 M CA 1.908 56.929 55.300 -0.465 0.000 1.125 476 M CB -0.835 31.360 32.600 -0.675 0.000 1.389 476 M HN 0.668 nan 8.290 nan 0.000 0.459 477 T N -5.265 109.261 114.554 -0.046 0.000 2.969 477 T HA 0.150 4.500 4.350 -0.000 0.000 0.258 477 T C 0.819 175.608 174.700 0.148 0.000 0.962 477 T CA -0.159 61.995 62.100 0.090 0.000 0.903 477 T CB 0.269 69.200 68.868 0.105 0.000 1.177 477 T HN 0.043 nan 8.240 nan 0.000 0.511 478 D N 1.778 122.269 120.400 0.150 0.000 2.388 478 D HA 0.108 4.748 4.640 -0.000 0.000 0.221 478 D C 1.406 177.783 176.300 0.128 0.000 1.133 478 D CA 0.125 54.202 54.000 0.128 0.000 0.831 478 D CB 0.132 41.012 40.800 0.133 0.000 0.962 478 D HN 0.665 nan 8.370 nan 0.000 0.502 479 H N 0.639 119.697 119.070 -0.019 0.000 2.379 479 H HA 0.157 4.712 4.556 -0.000 0.000 0.308 479 H C 0.273 175.591 175.328 -0.016 0.000 1.047 479 H CA 0.638 56.674 56.048 -0.021 0.000 1.371 479 H CB 0.159 29.902 29.762 -0.032 0.000 1.449 479 H HN -0.193 nan 8.280 nan 0.000 0.564 480 K N 0.950 120.802 120.400 -0.913 0.000 3.393 480 K HA -0.135 4.185 4.320 -0.000 0.000 0.272 480 K C 0.310 176.474 176.600 -0.727 0.000 1.004 480 K CA 0.567 56.436 56.287 -0.697 0.000 0.764 480 K CB -1.843 30.503 32.500 -0.258 0.000 1.373 480 K HN 0.806 nan 8.250 nan 0.000 0.458 481 A N -2.214 119.877 122.820 -1.215 0.000 3.080 481 A HA -0.276 4.044 4.320 -0.000 0.000 0.254 481 A C 1.528 179.055 177.584 -0.096 0.000 1.277 481 A CA 1.821 53.667 52.037 -0.318 0.000 1.065 481 A CB -2.045 16.862 19.000 -0.156 0.000 1.160 481 A HN 1.103 nan 8.150 nan 0.000 0.886 482 A N -0.841 121.921 122.820 -0.097 0.000 1.968 482 A HA 0.405 4.725 4.320 -0.000 0.000 0.217 482 A C 1.156 178.810 177.584 0.117 0.000 1.169 482 A CA 1.721 53.783 52.037 0.042 0.000 0.638 482 A CB -0.352 18.679 19.000 0.052 0.000 0.812 482 A HN 1.797 nan 8.150 nan 0.000 0.446 483 M N -2.474 117.262 119.600 0.228 0.000 2.550 483 M HA 0.670 5.150 4.480 -0.000 0.000 0.292 483 M C -3.225 173.135 176.300 0.100 0.000 1.221 483 M CA -2.268 53.104 55.300 0.120 0.000 0.873 483 M CB 1.242 33.881 32.600 0.066 0.000 1.727 483 M HN -0.275 nan 8.290 nan 0.000 0.459 484 P HA 0.199 nan 4.420 nan 0.000 0.269 484 P C 0.176 177.493 177.300 0.028 0.000 1.215 484 P CA -0.073 63.054 63.100 0.044 0.000 0.780 484 P CB 0.631 32.353 31.700 0.035 0.000 0.898 485 A N 1.367 124.206 122.820 0.033 0.000 2.121 485 A HA -0.124 4.196 4.320 -0.000 0.000 0.218 485 A C 2.311 179.919 177.584 0.040 0.000 1.154 485 A CA 1.764 53.820 52.037 0.032 0.000 0.679 485 A CB -1.256 17.770 19.000 0.043 0.000 0.795 485 A HN 0.534 nan 8.150 nan 0.000 0.458 486 S N -0.452 115.269 115.700 0.036 0.000 2.368 486 S HA -0.178 4.292 4.470 -0.000 0.000 0.225 486 S C 1.894 176.516 174.600 0.037 0.000 1.030 486 S CA 1.671 59.892 58.200 0.035 0.000 0.999 486 S CB -0.257 62.960 63.200 0.029 0.000 0.844 486 S HN 0.691 nan 8.310 nan 0.000 0.459 487 E N 0.488 120.706 120.200 0.031 0.000 2.033 487 E HA -0.068 4.282 4.350 -0.000 0.000 0.189 487 E C 2.283 178.909 176.600 0.044 0.000 0.979 487 E CA 0.858 57.276 56.400 0.030 0.000 0.802 487 E CB -0.097 29.614 29.700 0.019 0.000 0.763 487 E HN 0.474 nan 8.360 nan 0.000 0.449 488 K N 0.716 121.137 120.400 0.035 0.000 2.074 488 K HA -0.197 4.123 4.320 -0.000 0.000 0.209 488 K C 2.188 178.884 176.600 0.161 0.000 1.048 488 K CA 1.004 57.335 56.287 0.074 0.000 0.926 488 K CB -0.230 32.269 32.500 -0.001 0.000 0.713 488 K HN 0.021 nan 8.250 nan 0.000 0.444 489 L N 1.350 122.640 121.223 0.112 0.000 2.131 489 L HA -0.200 4.139 4.340 -0.000 0.000 0.210 489 L C 2.361 179.280 176.870 0.082 0.000 1.092 489 L CA 1.701 56.607 54.840 0.110 0.000 0.759 489 L CB -0.345 41.768 42.059 0.090 0.000 0.903 489 L HN 0.134 nan 8.230 nan 0.000 0.435 490 Q N -0.845 118.994 119.800 0.065 0.000 2.137 490 Q HA -0.069 4.271 4.340 -0.000 0.000 0.198 490 Q C 2.091 178.107 176.000 0.028 0.000 0.960 490 Q CA 1.538 57.367 55.803 0.044 0.000 0.847 490 Q CB -0.307 28.453 28.738 0.036 0.000 0.915 490 Q HN 0.563 nan 8.270 nan 0.000 0.448 491 L N 0.121 121.379 121.223 0.057 0.000 2.083 491 L HA -0.133 4.207 4.340 -0.000 0.000 0.209 491 L C 2.367 179.209 176.870 -0.046 0.000 1.083 491 L CA 0.974 55.852 54.840 0.063 0.000 0.752 491 L CB -0.470 41.684 42.059 0.159 0.000 0.899 491 L HN 0.338 nan 8.230 nan 0.000 0.433 492 L N -0.484 120.651 121.223 -0.147 0.000 2.046 492 L HA -0.271 4.069 4.340 -0.000 0.000 0.208 492 L C 2.625 179.240 176.870 -0.425 0.000 1.077 492 L CA 1.306 55.749 54.840 -0.660 0.000 0.747 492 L CB -0.063 41.634 42.059 -0.603 0.000 0.896 492 L HN 0.278 nan 8.230 nan 0.000 0.432 493 Q N -0.187 119.518 119.800 -0.159 0.000 2.050 493 Q HA -0.221 4.118 4.340 -0.000 0.000 0.202 493 Q C 2.129 178.080 176.000 -0.083 0.000 0.980 493 Q CA 2.982 58.757 55.803 -0.047 0.000 0.840 493 Q CB -0.347 28.431 28.738 0.067 0.000 0.898 493 Q HN 0.709 nan 8.270 nan 0.000 0.424 494 T N -2.091 112.420 114.554 -0.071 0.000 2.833 494 T HA -0.060 4.290 4.350 -0.000 0.000 0.269 494 T C 1.832 176.477 174.700 -0.093 0.000 1.054 494 T CA 1.143 63.210 62.100 -0.055 0.000 1.135 494 T CB -0.578 68.270 68.868 -0.032 0.000 0.869 494 T HN 0.323 nan 8.240 nan 0.000 0.466 495 A N 1.906 124.624 122.820 -0.169 0.000 1.898 495 A HA 0.112 4.431 4.320 -0.000 0.000 0.216 495 A C 2.482 179.937 177.584 -0.214 0.000 1.181 495 A CA 1.522 53.438 52.037 -0.202 0.000 0.620 495 A CB -0.642 18.165 19.000 -0.321 0.000 0.819 495 A HN 0.393 nan 8.150 nan 0.000 0.442 496 M N -1.007 118.413 119.600 -0.299 0.000 2.175 496 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 496 M C 2.240 178.478 176.300 -0.104 0.000 1.063 496 M CA 1.698 56.832 55.300 -0.277 0.000 1.119 496 M CB -1.144 31.150 32.600 -0.511 0.000 1.377 496 M HN 0.551 nan 8.290 nan 0.000 0.415 497 Q N 0.395 120.158 119.800 -0.062 0.000 2.124 497 Q HA -0.004 4.335 4.340 -0.000 0.000 0.202 497 Q C 1.998 178.005 176.000 0.011 0.000 0.977 497 Q CA 2.214 58.017 55.803 0.000 0.000 0.850 497 Q CB -0.393 28.350 28.738 0.010 0.000 0.901 497 Q HN 0.457 nan 8.270 nan 0.000 0.429 498 A N -0.106 122.712 122.820 -0.004 0.000 1.898 498 A HA -0.191 4.128 4.320 -0.000 0.000 0.216 498 A C 2.060 179.687 177.584 0.071 0.000 1.181 498 A CA 1.435 53.493 52.037 0.036 0.000 0.620 498 A CB -0.563 18.448 19.000 0.019 0.000 0.819 498 A HN 0.350 nan 8.150 nan 0.000 0.442 499 Q N -0.352 119.462 119.800 0.024 0.000 2.030 499 Q HA -0.145 4.195 4.340 -0.000 0.000 0.204 499 Q C 2.273 178.324 176.000 0.085 0.000 0.986 499 Q CA 2.271 58.098 55.803 0.041 0.000 0.843 499 Q CB -1.062 27.668 28.738 -0.013 0.000 0.904 499 Q HN 0.664 nan 8.270 nan 0.000 0.420 500 T N 0.870 115.462 114.554 0.062 0.000 2.759 500 T HA -0.180 4.170 4.350 -0.000 0.000 0.269 500 T C 1.761 176.512 174.700 0.085 0.000 1.042 500 T CA 1.639 63.784 62.100 0.075 0.000 1.140 500 T CB -0.120 68.787 68.868 0.065 0.000 0.864 500 T HN 0.363 nan 8.240 nan 0.000 0.455 501 E N -0.299 119.951 120.200 0.083 0.000 2.047 501 E HA -0.102 4.248 4.350 -0.000 0.000 0.191 501 E C 1.870 178.521 176.600 0.085 0.000 0.987 501 E CA 0.877 57.319 56.400 0.070 0.000 0.799 501 E CB -0.205 29.528 29.700 0.054 0.000 0.752 501 E HN 0.634 nan 8.360 nan 0.000 0.449 502 Y N 0.453 120.770 120.300 0.029 0.000 2.242 502 Y HA -0.216 4.333 4.550 -0.000 0.000 0.291 502 Y C 2.356 178.274 175.900 0.030 0.000 1.137 502 Y CA 1.759 59.879 58.100 0.033 0.000 1.181 502 Y CB 0.000 38.477 38.460 0.028 0.000 0.989 502 Y HN 0.079 nan 8.280 nan 0.000 0.527 503 T N -0.727 113.975 114.554 0.247 0.000 2.708 503 T HA -0.190 4.159 4.350 -0.000 0.000 0.266 503 T C 1.926 176.696 174.700 0.116 0.000 1.037 503 T CA 1.668 63.867 62.100 0.164 0.000 1.146 503 T CB -0.629 68.308 68.868 0.115 0.000 0.865 503 T HN 0.149 nan 8.240 nan 0.000 0.435 504 V N 1.562 121.529 119.914 0.088 0.000 2.427 504 V HA -0.126 3.994 4.120 -0.000 0.000 0.248 504 V C 2.396 178.521 176.094 0.052 0.000 1.051 504 V CA 1.621 63.959 62.300 0.063 0.000 1.048 504 V CB -0.628 31.225 31.823 0.049 0.000 0.666 504 V HN 0.484 nan 8.190 nan 0.000 0.456 505 M N 0.208 119.820 119.600 0.020 0.000 2.117 505 M HA -0.153 4.326 4.480 -0.000 0.000 0.262 505 M C 2.114 178.421 176.300 0.012 0.000 1.065 505 M CA 2.222 57.502 55.300 -0.032 0.000 1.114 505 M CB -0.234 32.256 32.600 -0.183 0.000 1.361 505 M HN 0.330 nan 8.290 nan 0.000 0.408 506 A N 1.219 124.078 122.820 0.065 0.000 1.855 506 A HA -0.120 4.200 4.320 -0.000 0.000 0.215 506 A C 1.999 179.642 177.584 0.098 0.000 1.191 506 A CA 1.659 53.759 52.037 0.105 0.000 0.613 506 A CB -1.216 17.886 19.000 0.170 0.000 0.829 506 A HN 0.786 nan 8.150 nan 0.000 0.442 507 I N -1.476 119.154 120.570 0.100 0.000 2.850 507 I HA -0.094 4.075 4.170 -0.000 0.000 0.266 507 I C 1.626 177.861 176.117 0.198 0.000 1.257 507 I CA 1.815 63.183 61.300 0.113 0.000 1.465 507 I CB -0.749 37.294 38.000 0.072 0.000 1.091 507 I HN 0.338 nan 8.210 nan 0.000 0.467 508 T N -2.244 112.424 114.554 0.188 0.000 3.186 508 T HA 0.485 4.835 4.350 -0.000 0.000 0.257 508 T C 1.355 176.189 174.700 0.222 0.000 1.029 508 T CA 0.150 62.426 62.100 0.292 0.000 0.916 508 T CB 0.064 69.035 68.868 0.173 0.000 1.041 508 T HN 0.693 nan 8.240 nan 0.000 0.562 509 G N 1.916 110.774 108.800 0.097 0.000 2.160 509 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.251 509 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.251 509 G C 0.590 175.468 174.900 -0.037 0.000 1.008 509 G CA 0.394 45.431 45.100 -0.104 0.000 0.724 509 G HN 0.478 nan 8.290 nan 0.000 0.514 510 M N -0.275 119.331 119.600 0.008 0.000 2.346 510 M HA 0.477 4.956 4.480 -0.000 0.000 0.280 510 M C 1.575 177.882 176.300 0.011 0.000 1.075 510 M CA 0.048 55.351 55.300 0.004 0.000 0.989 510 M CB -0.141 32.456 32.600 -0.007 0.000 1.447 510 M HN 0.535 nan 8.290 nan 0.000 0.511 511 A N 1.342 124.186 122.820 0.039 0.000 2.256 511 A HA 0.384 4.704 4.320 -0.000 0.000 0.276 511 A C 1.445 179.128 177.584 0.167 0.000 1.259 511 A CA 0.047 52.123 52.037 0.065 0.000 0.813 511 A CB 0.168 19.265 19.000 0.162 0.000 1.200 511 A HN 0.503 nan 8.150 nan 0.000 0.506 512 I N -4.669 116.045 120.570 0.241 0.000 3.616 512 I HA 0.175 4.344 4.170 -0.000 0.000 0.296 512 I C 1.080 177.389 176.117 0.321 0.000 1.226 512 I CA 0.854 62.330 61.300 0.294 0.000 1.394 512 I CB -0.306 37.872 38.000 0.298 0.000 1.171 512 I HN 0.449 nan 8.210 nan 0.000 0.442 513 D N 2.634 123.223 120.400 0.316 0.000 2.137 513 D HA -0.213 4.427 4.640 -0.000 0.000 0.189 513 D C 1.887 178.385 176.300 0.331 0.000 0.998 513 D CA 1.915 56.107 54.000 0.320 0.000 0.839 513 D CB -0.302 40.689 40.800 0.318 0.000 0.962 513 D HN 0.347 nan 8.370 nan 0.000 0.446 514 N N -0.480 118.418 118.700 0.331 0.000 2.166 514 N HA -0.171 4.569 4.740 -0.000 0.000 0.186 514 N C 1.710 177.564 175.510 0.575 0.000 1.019 514 N CA 0.813 54.090 53.050 0.378 0.000 0.856 514 N CB -0.506 38.104 38.487 0.205 0.000 0.993 514 N HN 0.492 nan 8.380 nan 0.000 0.426 515 H N 0.719 120.042 119.070 0.422 0.000 2.293 515 H HA 0.011 4.566 4.556 -0.000 0.000 0.300 515 H C 2.095 177.545 175.328 0.204 0.000 1.082 515 H CA 1.011 57.239 56.048 0.299 0.000 1.308 515 H CB 0.065 29.935 29.762 0.181 0.000 1.375 515 H HN 0.075 nan 8.280 nan 0.000 0.495 516 L N 0.287 121.642 121.223 0.220 0.000 2.083 516 L HA -0.185 4.155 4.340 -0.000 0.000 0.209 516 L C 2.684 179.576 176.870 0.036 0.000 1.083 516 L CA 0.485 55.386 54.840 0.101 0.000 0.752 516 L CB -0.286 41.880 42.059 0.177 0.000 0.899 516 L HN 0.324 nan 8.230 nan 0.000 0.433 517 L N 0.295 121.602 121.223 0.140 0.000 2.042 517 L HA -0.175 4.164 4.340 -0.000 0.000 0.210 517 L C 2.600 179.432 176.870 -0.063 0.000 1.076 517 L CA 2.088 56.957 54.840 0.049 0.000 0.749 517 L CB -0.639 41.532 42.059 0.188 0.000 0.893 517 L HN 0.137 nan 8.230 nan 0.000 0.432 518 A N -0.593 122.319 122.820 0.153 0.000 1.898 518 A HA -0.109 4.211 4.320 -0.000 0.000 0.216 518 A C 2.244 179.788 177.584 -0.068 0.000 1.181 518 A CA 1.755 53.869 52.037 0.129 0.000 0.620 518 A CB -0.844 18.462 19.000 0.510 0.000 0.819 518 A HN 0.503 nan 8.150 nan 0.000 0.442 519 L N -1.007 120.207 121.223 -0.015 0.000 2.046 519 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 519 L C 2.819 179.604 176.870 -0.142 0.000 1.077 519 L CA 1.843 56.697 54.840 0.024 0.000 0.747 519 L CB -0.522 41.649 42.059 0.187 0.000 0.896 519 L HN 0.460 nan 8.230 nan 0.000 0.432 520 R N 0.115 120.247 120.500 -0.614 0.000 2.073 520 R HA -0.175 4.165 4.340 -0.000 0.000 0.234 520 R C 2.188 178.157 176.300 -0.552 0.000 1.134 520 R CA 1.463 56.877 56.100 -1.144 0.000 0.952 520 R CB -0.002 29.336 30.300 -1.604 0.000 0.850 520 R HN 0.279 nan 8.270 nan 0.000 0.433 521 E N 0.634 120.516 120.200 -0.531 0.000 2.152 521 E HA -0.136 4.214 4.350 -0.000 0.000 0.192 521 E C 2.061 178.456 176.600 -0.342 0.000 0.983 521 E CA 0.738 56.819 56.400 -0.531 0.000 0.818 521 E CB -0.092 28.973 29.700 -1.058 0.000 0.758 521 E HN 0.412 nan 8.360 nan 0.000 0.467 522 L N 0.224 121.300 121.223 -0.246 0.000 2.156 522 L HA -0.077 4.263 4.340 -0.000 0.000 0.208 522 L C 2.377 179.232 176.870 -0.024 0.000 1.095 522 L CA 0.956 55.765 54.840 -0.052 0.000 0.770 522 L CB -0.329 41.742 42.059 0.020 0.000 0.914 522 L HN 0.044 nan 8.230 nan 0.000 0.439 523 A N -0.068 122.733 122.820 -0.033 0.000 1.929 523 A HA -0.210 4.110 4.320 -0.000 0.000 0.216 523 A C 2.402 179.982 177.584 -0.007 0.000 1.176 523 A CA 1.371 53.423 52.037 0.025 0.000 0.628 523 A CB -0.481 18.587 19.000 0.114 0.000 0.816 523 A HN 0.326 nan 8.150 nan 0.000 0.444 524 R N -0.368 120.095 120.500 -0.061 0.000 2.120 524 R HA -0.148 4.192 4.340 -0.000 0.000 0.234 524 R C 1.586 177.873 176.300 -0.023 0.000 1.123 524 R CA 1.675 57.744 56.100 -0.051 0.000 0.975 524 R CB -0.222 30.023 30.300 -0.092 0.000 0.866 524 R HN 0.567 nan 8.270 nan 0.000 0.446 525 D N -0.385 120.005 120.400 -0.016 0.000 2.349 525 D HA -0.036 4.604 4.640 -0.000 0.000 0.215 525 D C 1.242 177.554 176.300 0.019 0.000 1.016 525 D CA 0.586 54.593 54.000 0.012 0.000 0.870 525 D CB 0.441 41.263 40.800 0.037 0.000 0.917 525 D HN 0.326 nan 8.370 nan 0.000 0.524 526 L N -0.517 120.716 121.223 0.016 0.000 2.948 526 L HA 0.257 4.597 4.340 -0.000 0.000 0.259 526 L C 0.277 177.157 176.870 0.017 0.000 1.136 526 L CA -0.080 54.772 54.840 0.019 0.000 0.959 526 L CB 1.169 43.241 42.059 0.023 0.000 1.370 526 L HN -0.058 nan 8.230 nan 0.000 0.552 527 C N 1.266 120.576 119.300 0.018 0.000 2.295 527 C HA 0.285 4.745 4.460 -0.000 0.000 0.331 527 C C 1.764 176.762 174.990 0.013 0.000 1.280 527 C CA -0.973 58.057 59.018 0.019 0.000 1.746 527 C CB 1.410 29.169 27.740 0.032 0.000 2.328 527 C HN 0.236 nan 8.230 nan 0.000 0.521 528 K N 1.151 121.557 120.400 0.010 0.000 2.103 528 K HA -0.045 4.275 4.320 -0.000 0.000 0.207 528 K C 0.575 177.179 176.600 0.007 0.000 1.048 528 K CA 1.300 57.592 56.287 0.007 0.000 0.930 528 K CB 0.113 32.616 32.500 0.005 0.000 0.716 528 K HN 0.680 nan 8.250 nan 0.000 0.444 529 E N 0.554 120.759 120.200 0.009 0.000 2.199 529 E HA 0.317 4.667 4.350 -0.000 0.000 0.269 529 E C -2.527 174.082 176.600 0.015 0.000 0.899 529 E CA -2.672 53.733 56.400 0.008 0.000 0.772 529 E CB 1.386 31.089 29.700 0.005 0.000 1.155 529 E HN -0.130 nan 8.360 nan 0.000 0.408 530 P HA 0.108 nan 4.420 nan 0.000 0.263 530 P C -2.409 174.906 177.300 0.025 0.000 1.195 530 P CA -0.696 62.419 63.100 0.026 0.000 0.762 530 P CB -0.235 31.477 31.700 0.019 0.000 0.799 531 P HA -0.011 nan 4.420 nan 0.000 0.269 531 P C 0.956 178.200 177.300 -0.093 0.000 1.209 531 P CA -0.031 63.064 63.100 -0.008 0.000 0.776 531 P CB 0.550 32.259 31.700 0.014 0.000 0.876 532 E N 2.341 122.477 120.200 -0.106 0.000 2.160 532 E HA -0.270 4.080 4.350 -0.000 0.000 0.195 532 E C 1.549 178.003 176.600 -0.243 0.000 0.991 532 E CA 1.208 57.535 56.400 -0.123 0.000 0.810 532 E CB -0.200 29.449 29.700 -0.085 0.000 0.742 532 E HN 0.297 nan 8.360 nan 0.000 0.466 533 M N -0.197 119.123 119.600 -0.466 0.000 2.149 533 M HA -0.117 4.363 4.480 -0.000 0.000 0.261 533 M C 1.066 176.781 176.300 -0.975 0.000 1.064 533 M CA 1.710 56.478 55.300 -0.885 0.000 1.102 533 M CB -0.158 31.430 32.600 -1.686 0.000 1.369 533 M HN 0.188 nan 8.290 nan 0.000 0.408 534 F N -1.920 117.747 119.950 -0.472 0.000 2.727 534 F HA 0.235 4.762 4.527 -0.000 0.000 0.302 534 F C 1.626 177.341 175.800 -0.140 0.000 1.097 534 F CA -0.146 57.544 58.000 -0.517 0.000 1.330 534 F CB -0.163 38.505 39.000 -0.553 0.000 1.084 534 F HN 0.080 nan 8.300 nan 0.000 0.578 535 M N -0.841 118.765 119.600 0.008 0.000 2.461 535 M HA 0.047 4.526 4.480 -0.000 0.000 0.255 535 M C 0.091 176.421 176.300 0.050 0.000 1.137 535 M CA 0.104 55.432 55.300 0.046 0.000 1.086 535 M CB 0.090 32.696 32.600 0.009 0.000 1.356 535 M HN -0.148 nan 8.290 nan 0.000 0.487 536 D N 1.822 122.235 120.400 0.023 0.000 2.531 536 D HA -0.119 4.521 4.640 -0.000 0.000 0.239 536 D C 0.873 177.235 176.300 0.103 0.000 1.144 536 D CA 0.630 54.656 54.000 0.043 0.000 0.869 536 D CB 1.009 41.821 40.800 0.020 0.000 1.160 536 D HN 0.062 nan 8.370 nan 0.000 0.484 537 E N 2.190 122.427 120.200 0.062 0.000 2.171 537 E HA -0.192 4.158 4.350 -0.000 0.000 0.197 537 E C 1.517 178.154 176.600 0.061 0.000 0.997 537 E CA 1.762 58.191 56.400 0.049 0.000 0.810 537 E CB -0.149 29.566 29.700 0.025 0.000 0.738 537 E HN 0.599 nan 8.360 nan 0.000 0.467 538 T N -0.508 114.099 114.554 0.089 0.000 2.684 538 T HA -0.212 4.138 4.350 -0.000 0.000 0.267 538 T C 1.496 176.296 174.700 0.168 0.000 1.036 538 T CA 1.569 63.730 62.100 0.102 0.000 1.148 538 T CB -0.634 68.302 68.868 0.113 0.000 0.863 538 T HN 0.410 nan 8.240 nan 0.000 0.436 539 Y N 1.440 121.827 120.300 0.145 0.000 2.200 539 Y HA -0.051 4.499 4.550 -0.000 0.000 0.290 539 Y C 2.034 177.981 175.900 0.077 0.000 1.137 539 Y CA 1.111 59.321 58.100 0.183 0.000 1.163 539 Y CB -0.326 38.202 38.460 0.114 0.000 0.988 539 Y HN 0.110 nan 8.280 nan 0.000 0.518 540 L N -0.480 120.725 121.223 -0.030 0.000 2.046 540 L HA -0.276 4.064 4.340 -0.000 0.000 0.208 540 L C 2.557 179.300 176.870 -0.211 0.000 1.077 540 L CA 1.598 56.349 54.840 -0.148 0.000 0.747 540 L CB -0.550 41.492 42.059 -0.028 0.000 0.896 540 L HN 0.343 nan 8.230 nan 0.000 0.432 541 M N -0.324 119.198 119.600 -0.131 0.000 2.159 541 M HA -0.177 4.303 4.480 -0.000 0.000 0.263 541 M C 2.605 178.781 176.300 -0.206 0.000 1.063 541 M CA 2.006 57.219 55.300 -0.144 0.000 1.110 541 M CB -0.373 32.178 32.600 -0.080 0.000 1.374 541 M HN 0.411 nan 8.290 nan 0.000 0.411 542 S N 0.222 115.812 115.700 -0.183 0.000 2.442 542 S HA -0.093 4.377 4.470 -0.000 0.000 0.236 542 S C 1.224 175.605 174.600 -0.365 0.000 1.007 542 S CA 1.103 59.208 58.200 -0.158 0.000 0.965 542 S CB -0.427 62.786 63.200 0.022 0.000 0.773 542 S HN 0.462 nan 8.310 nan 0.000 0.504 543 N N 1.108 119.476 118.700 -0.555 0.000 2.235 543 N HA 0.197 4.937 4.740 -0.000 0.000 0.209 543 N C -0.462 174.423 175.510 -1.040 0.000 1.122 543 N CA 0.039 52.570 53.050 -0.866 0.000 0.845 543 N CB 0.286 38.420 38.487 -0.588 0.000 1.004 543 N HN 0.474 nan 8.380 nan 0.000 0.499 544 R N 0.694 120.749 120.500 -0.741 0.000 2.369 544 R HA 0.240 4.580 4.340 -0.000 0.000 0.310 544 R C -0.751 175.292 176.300 -0.429 0.000 1.141 544 R CA -0.487 55.317 56.100 -0.493 0.000 1.116 544 R CB -0.102 30.037 30.300 -0.269 0.000 1.135 544 R HN -0.104 nan 8.270 nan 0.000 0.529 545 F N 2.484 122.387 119.950 -0.079 0.000 2.566 545 F HA 0.045 4.572 4.527 -0.000 0.000 0.349 545 F C 1.564 177.322 175.800 -0.069 0.000 1.245 545 F CA -0.584 57.382 58.000 -0.058 0.000 1.169 545 F CB 0.275 39.258 39.000 -0.027 0.000 1.470 545 F HN 0.222 nan 8.300 nan 0.000 0.634 546 V N 2.554 122.493 119.914 0.041 0.000 2.594 546 V HA -0.183 3.937 4.120 -0.000 0.000 0.253 546 V C 1.046 177.145 176.094 0.007 0.000 1.069 546 V CA 1.130 63.417 62.300 -0.022 0.000 1.082 546 V CB -0.299 31.462 31.823 -0.103 0.000 0.680 546 V HN 0.503 nan 8.190 nan 0.000 0.469 547 L N 0.516 121.745 121.223 0.009 0.000 2.318 547 L HA 0.448 4.788 4.340 -0.000 0.000 0.277 547 L C -0.321 176.622 176.870 0.122 0.000 1.008 547 L CA 0.034 54.886 54.840 0.021 0.000 0.846 547 L CB 1.554 43.557 42.059 -0.093 0.000 1.220 547 L HN 0.099 nan 8.230 nan 0.000 0.423 548 S N 2.647 118.445 115.700 0.162 0.000 2.456 548 S HA 0.719 5.189 4.470 -0.000 0.000 0.316 548 S C -0.247 174.538 174.600 0.308 0.000 1.089 548 S CA -0.349 57.970 58.200 0.199 0.000 1.101 548 S CB 1.001 64.278 63.200 0.129 0.000 0.995 548 S HN 0.723 nan 8.310 nan 0.000 0.468 549 T N 0.980 115.733 114.554 0.333 0.000 2.865 549 T HA 0.877 5.227 4.350 -0.000 0.000 0.294 549 T C -0.765 174.140 174.700 0.342 0.000 1.119 549 T CA -0.572 61.762 62.100 0.389 0.000 1.007 549 T CB 1.578 70.677 68.868 0.384 0.000 1.225 549 T HN 0.989 nan 8.240 nan 0.000 0.515 550 S N 0.249 116.119 115.700 0.283 0.000 2.565 550 S HA 0.457 4.927 4.470 -0.000 0.000 0.274 550 S C -1.546 172.859 174.600 -0.325 0.000 1.144 550 S CA -0.996 57.259 58.200 0.091 0.000 0.849 550 S CB 1.612 64.936 63.200 0.206 0.000 1.103 550 S HN 1.176 nan 8.310 nan 0.000 0.455 551 Q N 1.327 120.889 119.800 -0.396 0.000 2.307 551 Q HA 0.673 5.012 4.340 -0.000 0.000 0.262 551 Q C -1.662 174.208 176.000 -0.217 0.000 0.961 551 Q CA -0.795 54.625 55.803 -0.638 0.000 0.882 551 Q CB 1.515 30.040 28.738 -0.356 0.000 1.264 551 Q HN 0.671 nan 8.270 nan 0.000 0.446 552 V N 7.456 127.270 119.914 -0.166 0.000 2.320 552 V HA 0.361 4.481 4.120 -0.000 0.000 0.268 552 V C -2.213 173.883 176.094 0.003 0.000 1.021 552 V CA -1.371 60.916 62.300 -0.022 0.000 0.813 552 V CB 0.961 32.813 31.823 0.048 0.000 1.054 552 V HN 0.789 nan 8.190 nan 0.000 0.444 553 P HA 0.371 nan 4.420 nan 0.000 0.279 553 P C -0.298 177.033 177.300 0.053 0.000 1.239 553 P CA 0.233 63.357 63.100 0.040 0.000 0.789 553 P CB 1.634 33.362 31.700 0.048 0.000 0.933 554 T N -2.554 112.037 114.554 0.062 0.000 2.906 554 T HA 0.460 4.809 4.350 -0.000 0.000 0.295 554 T C 0.726 175.459 174.700 0.054 0.000 1.075 554 T CA -0.479 61.658 62.100 0.061 0.000 1.005 554 T CB 1.026 69.941 68.868 0.078 0.000 1.136 554 T HN 0.387 nan 8.240 nan 0.000 0.498 555 T N -0.539 114.041 114.554 0.043 0.000 3.145 555 T HA 0.417 4.767 4.350 -0.000 0.000 0.255 555 T C 0.699 175.418 174.700 0.032 0.000 1.039 555 T CA -0.415 61.707 62.100 0.036 0.000 0.928 555 T CB -0.832 68.052 68.868 0.028 0.000 1.029 555 T HN 0.877 nan 8.240 nan 0.000 0.554 556 M N -1.422 118.201 119.600 0.039 0.000 3.213 556 M HA 0.553 5.033 4.480 -0.000 0.000 0.278 556 M C -1.467 174.871 176.300 0.063 0.000 1.332 556 M CA -0.933 54.388 55.300 0.036 0.000 0.810 556 M CB 1.261 33.865 32.600 0.008 0.000 1.676 556 M HN -0.318 nan 8.290 nan 0.000 0.463 557 E N 2.390 122.628 120.200 0.063 0.000 1.896 557 E HA 0.258 4.607 4.350 -0.000 0.000 0.276 557 E C -0.833 175.847 176.600 0.132 0.000 1.171 557 E CA 0.203 56.664 56.400 0.102 0.000 1.118 557 E CB -0.461 29.291 29.700 0.087 0.000 1.077 557 E HN 0.525 nan 8.360 nan 0.000 0.452 558 M N 0.116 119.818 119.600 0.170 0.000 2.790 558 M HA 0.575 5.055 4.480 -0.000 0.000 0.272 558 M C -1.532 174.908 176.300 0.234 0.000 1.168 558 M CA -1.189 54.199 55.300 0.147 0.000 0.829 558 M CB 1.613 34.304 32.600 0.151 0.000 1.675 558 M HN 0.040 nan 8.290 nan 0.000 0.505 559 F N -0.672 119.353 119.950 0.125 0.000 2.654 559 F HA 0.845 5.372 4.527 -0.000 0.000 0.308 559 F C -1.439 174.415 175.800 0.090 0.000 1.108 559 F CA -1.201 56.856 58.000 0.094 0.000 0.957 559 F CB 0.903 39.955 39.000 0.087 0.000 1.309 559 F HN 1.002 nan 8.300 nan 0.000 0.446 560 C N 2.759 122.227 119.300 0.279 0.000 2.366 560 C HA 0.938 5.398 4.460 -0.000 0.000 0.345 560 C C 0.006 175.143 174.990 0.245 0.000 1.209 560 C CA -0.347 58.785 59.018 0.189 0.000 2.050 560 C CB -0.196 27.643 27.740 0.164 0.000 2.359 560 C HN 1.286 nan 8.230 nan 0.000 0.527 561 C N 4.632 124.031 119.300 0.165 0.000 3.239 561 C HA 0.994 5.454 4.460 -0.000 0.000 0.317 561 C C -1.311 173.699 174.990 0.034 0.000 1.310 561 C CA -0.722 58.327 59.018 0.052 0.000 1.371 561 C CB 0.771 28.653 27.740 0.238 0.000 1.714 561 C HN 1.175 nan 8.230 nan 0.000 0.473 562 Y N -0.478 119.906 120.300 0.140 0.000 2.713 562 Y HA 0.825 5.375 4.550 -0.000 0.000 0.335 562 Y C -0.050 175.897 175.900 0.079 0.000 1.222 562 Y CA -0.538 57.607 58.100 0.076 0.000 1.061 562 Y CB 0.296 38.821 38.460 0.107 0.000 1.314 562 Y HN 1.243 nan 8.280 nan 0.000 0.453 563 G N 0.257 109.226 108.800 0.283 0.000 2.535 563 G HA2 0.651 4.611 3.960 -0.000 0.000 0.303 563 G HA3 0.651 4.611 3.960 -0.000 0.000 0.303 563 G C -3.002 171.973 174.900 0.124 0.000 1.237 563 G CA -2.062 43.115 45.100 0.127 0.000 0.986 563 G HN 0.473 nan 8.290 nan 0.000 0.494 564 P HA 0.182 nan 4.420 nan 0.000 0.274 564 P C 0.850 178.155 177.300 0.009 0.000 1.246 564 P CA -0.315 62.713 63.100 -0.120 0.000 0.795 564 P CB 1.146 32.573 31.700 -0.454 0.000 1.006 565 V N -1.360 118.571 119.914 0.028 0.000 3.578 565 V HA 0.246 4.366 4.120 -0.000 0.000 0.290 565 V C 0.350 176.471 176.094 0.046 0.000 1.376 565 V CA -0.019 62.298 62.300 0.029 0.000 1.083 565 V CB -0.378 31.423 31.823 -0.035 0.000 0.911 565 V HN 0.355 nan 8.190 nan 0.000 0.433 566 V N -5.315 114.648 119.914 0.081 0.000 2.971 566 V HA 0.633 4.752 4.120 -0.000 0.000 0.309 566 V C -2.125 174.081 176.094 0.187 0.000 1.130 566 V CA -1.779 60.566 62.300 0.075 0.000 0.964 566 V CB 1.440 33.260 31.823 -0.005 0.000 1.029 566 V HN -0.015 nan 8.190 nan 0.000 0.427 567 P HA -0.144 nan 4.420 nan 0.000 0.217 567 P C 0.721 178.140 177.300 0.198 0.000 1.151 567 P CA 2.002 65.224 63.100 0.203 0.000 0.849 567 P CB -0.036 31.671 31.700 0.012 0.000 0.787 568 N N -1.238 117.495 118.700 0.055 0.000 2.321 568 N HA 0.138 4.878 4.740 -0.000 0.000 0.242 568 N C 0.484 175.922 175.510 -0.120 0.000 1.141 568 N CA -0.085 52.951 53.050 -0.023 0.000 0.864 568 N CB -0.139 38.338 38.487 -0.017 0.000 1.100 568 N HN -0.025 nan 8.380 nan 0.000 0.510 569 G N -0.633 108.082 108.800 -0.141 0.000 2.705 569 G HA2 0.589 4.549 3.960 -0.000 0.000 0.299 569 G HA3 0.589 4.549 3.960 -0.000 0.000 0.299 569 G C -1.593 173.054 174.900 -0.422 0.000 1.315 569 G CA -0.505 44.477 45.100 -0.198 0.000 1.045 569 G HN 0.152 nan 8.290 nan 0.000 0.517 570 Y N -1.543 118.654 120.300 -0.172 0.000 2.536 570 Y HA 0.597 5.146 4.550 -0.000 0.000 0.347 570 Y C 0.624 176.467 175.900 -0.094 0.000 1.000 570 Y CA -0.530 57.441 58.100 -0.216 0.000 1.051 570 Y CB 2.830 41.046 38.460 -0.407 0.000 1.259 570 Y HN 0.721 nan 8.280 nan 0.000 0.468 571 G N 0.689 109.574 108.800 0.142 0.000 2.557 571 G HA2 0.652 4.611 3.960 -0.000 0.000 0.310 571 G HA3 0.652 4.611 3.960 -0.000 0.000 0.310 571 G C -1.619 173.391 174.900 0.182 0.000 1.328 571 G CA -0.769 44.464 45.100 0.223 0.000 0.945 571 G HN 0.758 nan 8.290 nan 0.000 0.494 572 A N 1.494 124.464 122.820 0.250 0.000 2.375 572 A HA 0.584 4.903 4.320 -0.000 0.000 0.291 572 A C -0.639 177.105 177.584 0.267 0.000 1.160 572 A CA -0.545 51.654 52.037 0.270 0.000 0.747 572 A CB 0.955 20.198 19.000 0.404 0.000 1.170 572 A HN 1.074 nan 8.150 nan 0.000 0.458 573 C N 4.263 123.607 119.300 0.072 0.000 2.322 573 C HA 0.885 5.345 4.460 -0.000 0.000 0.324 573 C C -0.909 174.129 174.990 0.080 0.000 1.284 573 C CA -0.676 58.344 59.018 0.005 0.000 1.606 573 C CB -0.377 27.225 27.740 -0.230 0.000 2.251 573 C HN 0.827 nan 8.230 nan 0.000 0.502 574 Y N 3.391 123.690 120.300 -0.001 0.000 2.536 574 Y HA 0.664 5.214 4.550 -0.000 0.000 0.347 574 Y C -0.452 175.365 175.900 -0.139 0.000 1.000 574 Y CA -1.440 56.520 58.100 -0.233 0.000 1.051 574 Y CB 0.846 38.950 38.460 -0.593 0.000 1.259 574 Y HN 0.551 nan 8.280 nan 0.000 0.468 575 N N 2.926 121.595 118.700 -0.052 0.000 2.626 575 N HA 0.469 5.209 4.740 -0.000 0.000 0.249 575 N C -3.332 172.191 175.510 0.021 0.000 1.021 575 N CA -2.553 50.498 53.050 0.003 0.000 0.886 575 N CB 1.450 39.964 38.487 0.045 0.000 1.149 575 N HN 0.366 nan 8.380 nan 0.000 0.517 576 P HA 0.177 nan 4.420 nan 0.000 0.276 576 P C -0.628 176.718 177.300 0.076 0.000 1.253 576 P CA -0.076 63.078 63.100 0.090 0.000 0.766 576 P CB 0.745 32.535 31.700 0.150 0.000 0.845 577 Q N 4.549 124.388 119.800 0.066 0.000 2.306 577 Q HA 0.320 4.660 4.340 -0.000 0.000 0.269 577 Q C -1.796 174.247 176.000 0.072 0.000 1.053 577 Q CA -2.122 53.717 55.803 0.060 0.000 0.879 577 Q CB 0.258 29.022 28.738 0.043 0.000 1.344 577 Q HN 0.142 nan 8.270 nan 0.000 0.464 578 P HA -0.136 nan 4.420 nan 0.000 0.215 578 P C 0.460 177.811 177.300 0.085 0.000 1.153 578 P CA 1.482 64.625 63.100 0.071 0.000 0.853 578 P CB 0.471 32.203 31.700 0.052 0.000 0.788 579 E N -1.780 118.455 120.200 0.058 0.000 2.538 579 E HA 0.456 4.806 4.350 -0.000 0.000 0.207 579 E C 0.398 176.998 176.600 -0.001 0.000 1.002 579 E CA -0.067 56.360 56.400 0.045 0.000 0.952 579 E CB 0.879 30.588 29.700 0.016 0.000 1.031 579 E HN 0.088 nan 8.360 nan 0.000 0.476 580 A N 0.540 123.367 122.820 0.012 0.000 2.586 580 A HA 0.750 5.070 4.320 -0.000 0.000 0.290 580 A C -1.455 176.155 177.584 0.043 0.000 1.086 580 A CA -0.674 51.348 52.037 -0.025 0.000 0.665 580 A CB 1.073 20.036 19.000 -0.062 0.000 1.279 580 A HN 0.059 nan 8.150 nan 0.000 0.423 581 I N 0.855 121.478 120.570 0.087 0.000 2.512 581 I HA 0.362 4.532 4.170 -0.000 0.000 0.287 581 I C -0.575 175.543 176.117 0.003 0.000 1.069 581 I CA -0.377 60.948 61.300 0.043 0.000 1.056 581 I CB 2.500 40.551 38.000 0.085 0.000 1.229 581 I HN 0.540 nan 8.210 nan 0.000 0.429 582 T N 5.914 120.403 114.554 -0.108 0.000 2.744 582 T HA 0.518 4.868 4.350 -0.000 0.000 0.291 582 T C -0.639 173.955 174.700 -0.178 0.000 0.957 582 T CA -0.057 61.989 62.100 -0.090 0.000 1.002 582 T CB 0.257 69.064 68.868 -0.100 0.000 0.919 582 T HN 0.130 nan 8.240 nan 0.000 0.468 583 F N 1.729 121.726 119.950 0.078 0.000 2.426 583 F HA 0.399 4.926 4.527 -0.000 0.000 0.348 583 F C 0.235 176.037 175.800 0.002 0.000 1.124 583 F CA -0.889 57.180 58.000 0.115 0.000 1.008 583 F CB 1.038 40.138 39.000 0.166 0.000 1.139 583 F HN 0.438 nan 8.300 nan 0.000 0.452 584 C N 5.830 125.220 119.300 0.151 0.000 2.251 584 C HA 0.627 5.087 4.460 -0.000 0.000 0.323 584 C C 0.124 175.136 174.990 0.035 0.000 1.241 584 C CA -0.960 58.072 59.018 0.023 0.000 1.601 584 C CB -0.884 26.971 27.740 0.193 0.000 2.251 584 C HN 0.574 nan 8.230 nan 0.000 0.488 585 I N 3.963 124.446 120.570 -0.146 0.000 2.433 585 I HA 0.503 4.673 4.170 -0.000 0.000 0.292 585 I C 0.231 176.330 176.117 -0.030 0.000 1.001 585 I CA 0.295 61.593 61.300 -0.004 0.000 1.119 585 I CB 1.757 39.800 38.000 0.071 0.000 1.289 585 I HN 0.698 nan 8.210 nan 0.000 0.438 586 S N 3.898 119.676 115.700 0.130 0.000 2.599 586 S HA 0.939 5.409 4.470 -0.000 0.000 0.287 586 S C -0.574 173.983 174.600 -0.072 0.000 1.105 586 S CA -0.573 57.698 58.200 0.119 0.000 0.899 586 S CB 2.231 65.551 63.200 0.200 0.000 1.100 586 S HN 0.761 nan 8.310 nan 0.000 0.482 587 S N 0.141 115.683 115.700 -0.263 0.000 2.636 587 S HA 0.657 5.126 4.470 -0.000 0.000 0.266 587 S C -1.694 172.603 174.600 -0.505 0.000 1.147 587 S CA -1.149 56.732 58.200 -0.533 0.000 0.815 587 S CB 0.013 62.886 63.200 -0.544 0.000 1.119 587 S HN 0.672 nan 8.310 nan 0.000 0.470 588 F N 1.056 120.888 119.950 -0.195 0.000 2.427 588 F HA 0.468 4.995 4.527 -0.000 0.000 0.346 588 F C 1.651 177.382 175.800 -0.115 0.000 1.120 588 F CA -0.716 57.199 58.000 -0.142 0.000 1.033 588 F CB 1.104 40.052 39.000 -0.086 0.000 1.126 588 F HN 0.808 nan 8.300 nan 0.000 0.462 589 H N 0.203 119.387 119.070 0.191 0.000 2.457 589 H HA -0.159 4.396 4.556 -0.000 0.000 0.297 589 H C 2.179 177.551 175.328 0.073 0.000 1.092 589 H CA 1.575 57.684 56.048 0.102 0.000 1.309 589 H CB 0.258 30.071 29.762 0.084 0.000 1.382 589 H HN 0.613 nan 8.280 nan 0.000 0.535 590 S N -0.483 115.328 115.700 0.184 0.000 2.547 590 S HA -0.109 4.361 4.470 -0.000 0.000 0.235 590 S C 1.030 175.670 174.600 0.067 0.000 0.980 590 S CA 0.240 58.490 58.200 0.083 0.000 0.941 590 S CB -0.461 62.741 63.200 0.003 0.000 0.763 590 S HN 0.385 nan 8.310 nan 0.000 0.532 591 C N 2.802 122.157 119.300 0.092 0.000 2.239 591 C HA 0.519 4.979 4.460 -0.000 0.000 0.323 591 C C 1.490 176.516 174.990 0.060 0.000 1.205 591 C CA -1.092 57.962 59.018 0.060 0.000 1.584 591 C CB -0.335 27.434 27.740 0.047 0.000 2.201 591 C HN 0.584 nan 8.230 nan 0.000 0.475 592 K N 2.259 122.692 120.400 0.055 0.000 2.152 592 K HA -0.163 4.157 4.320 -0.000 0.000 0.206 592 K C 1.091 177.729 176.600 0.064 0.000 1.048 592 K CA 1.793 58.114 56.287 0.056 0.000 0.933 592 K CB 0.151 32.675 32.500 0.040 0.000 0.721 592 K HN 0.725 nan 8.250 nan 0.000 0.447 593 E N 0.487 120.736 120.200 0.081 0.000 2.494 593 E HA -0.031 4.319 4.350 -0.000 0.000 0.193 593 E C 0.026 176.755 176.600 0.215 0.000 1.074 593 E CA 0.387 56.873 56.400 0.143 0.000 0.867 593 E CB 0.345 30.164 29.700 0.198 0.000 0.924 593 E HN 0.299 nan 8.360 nan 0.000 0.502 594 T N -2.767 111.848 114.554 0.102 0.000 2.893 594 T HA 0.649 4.999 4.350 -0.000 0.000 0.291 594 T C -0.368 174.380 174.700 0.080 0.000 1.028 594 T CA -1.011 61.123 62.100 0.055 0.000 0.995 594 T CB 1.971 70.606 68.868 -0.388 0.000 1.051 594 T HN -0.113 nan 8.240 nan 0.000 0.470 595 S N 0.961 116.790 115.700 0.215 0.000 2.652 595 S HA 0.406 4.875 4.470 -0.000 0.000 0.273 595 S C 0.859 175.632 174.600 0.289 0.000 1.172 595 S CA -0.599 57.710 58.200 0.181 0.000 1.009 595 S CB 1.258 64.539 63.200 0.136 0.000 1.094 595 S HN 0.714 nan 8.310 nan 0.000 0.471 596 S N 2.997 118.816 115.700 0.197 0.000 2.382 596 S HA -0.096 4.374 4.470 -0.000 0.000 0.228 596 S C 1.873 176.532 174.600 0.100 0.000 1.027 596 S CA 1.672 59.992 58.200 0.199 0.000 0.991 596 S CB -0.200 63.039 63.200 0.065 0.000 0.823 596 S HN 0.667 nan 8.310 nan 0.000 0.469 597 V N 1.537 121.485 119.914 0.057 0.000 2.379 597 V HA -0.130 3.989 4.120 -0.000 0.000 0.245 597 V C 2.348 178.410 176.094 -0.054 0.000 1.044 597 V CA 1.495 63.790 62.300 -0.008 0.000 1.036 597 V CB -0.615 31.220 31.823 0.019 0.000 0.664 597 V HN 0.437 nan 8.190 nan 0.000 0.453 598 E N -0.506 119.694 120.200 -0.000 0.000 2.077 598 E HA -0.237 4.113 4.350 -0.000 0.000 0.193 598 E C 2.036 178.577 176.600 -0.098 0.000 0.989 598 E CA 1.542 57.915 56.400 -0.045 0.000 0.800 598 E CB -0.179 29.515 29.700 -0.010 0.000 0.746 598 E HN 0.582 nan 8.360 nan 0.000 0.452 599 F N 1.058 120.899 119.950 -0.183 0.000 2.134 599 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 599 F C 2.078 177.636 175.800 -0.402 0.000 1.097 599 F CA 1.362 59.175 58.000 -0.312 0.000 1.264 599 F CB -0.365 38.346 39.000 -0.482 0.000 1.001 599 F HN -0.036 nan 8.300 nan 0.000 0.479 600 A N 0.174 122.737 122.820 -0.429 0.000 1.877 600 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 600 A C 2.124 179.091 177.584 -1.030 0.000 1.186 600 A CA 1.886 53.440 52.037 -0.806 0.000 0.620 600 A CB -0.890 17.683 19.000 -0.713 0.000 0.822 600 A HN 0.543 nan 8.150 nan 0.000 0.443 601 E N -0.267 119.541 120.200 -0.655 0.000 2.204 601 E HA -0.076 4.273 4.350 -0.000 0.000 0.194 601 E C 2.179 178.534 176.600 -0.407 0.000 0.989 601 E CA 0.785 56.914 56.400 -0.452 0.000 0.824 601 E CB -0.252 29.312 29.700 -0.226 0.000 0.756 601 E HN 0.633 nan 8.360 nan 0.000 0.477 602 A N 0.988 123.525 122.820 -0.473 0.000 1.968 602 A HA -0.078 4.241 4.320 -0.000 0.000 0.217 602 A C 2.455 179.713 177.584 -0.542 0.000 1.169 602 A CA 0.724 52.498 52.037 -0.438 0.000 0.638 602 A CB -0.315 18.422 19.000 -0.439 0.000 0.812 602 A HN 0.092 nan 8.150 nan 0.000 0.446 603 V N -0.125 119.314 119.914 -0.792 0.000 2.358 603 V HA -0.134 3.986 4.120 -0.000 0.000 0.246 603 V C 2.793 178.498 176.094 -0.648 0.000 1.047 603 V CA 1.798 63.602 62.300 -0.826 0.000 1.035 603 V CB -1.370 29.758 31.823 -1.159 0.000 0.658 603 V HN 0.578 nan 8.190 nan 0.000 0.452 604 G N -0.120 108.357 108.800 -0.538 0.000 2.433 604 G HA2 -0.221 3.739 3.960 -0.000 0.000 0.216 604 G HA3 -0.221 3.739 3.960 -0.000 0.000 0.216 604 G C 1.807 176.610 174.900 -0.161 0.000 1.186 604 G CA 1.075 46.027 45.100 -0.247 0.000 0.779 604 G HN 0.589 nan 8.290 nan 0.000 0.543 605 A N 0.735 123.466 122.820 -0.148 0.000 1.917 605 A HA -0.057 4.263 4.320 -0.000 0.000 0.219 605 A C 2.701 180.236 177.584 -0.082 0.000 1.182 605 A CA 2.431 54.420 52.037 -0.080 0.000 0.633 605 A CB -0.710 18.228 19.000 -0.104 0.000 0.819 605 A HN 0.326 nan 8.150 nan 0.000 0.448 606 S N -0.351 115.250 115.700 -0.166 0.000 2.382 606 S HA -0.064 4.406 4.470 -0.000 0.000 0.228 606 S C 1.751 176.317 174.600 -0.057 0.000 1.027 606 S CA 1.381 59.505 58.200 -0.127 0.000 0.991 606 S CB -0.391 62.692 63.200 -0.194 0.000 0.823 606 S HN 0.519 nan 8.310 nan 0.000 0.469 607 L N 0.776 121.919 121.223 -0.133 0.000 2.156 607 L HA -0.023 4.316 4.340 -0.000 0.000 0.208 607 L C 2.160 179.232 176.870 0.336 0.000 1.095 607 L CA 0.605 55.458 54.840 0.021 0.000 0.770 607 L CB -0.432 41.255 42.059 -0.621 0.000 0.914 607 L HN 0.205 nan 8.230 nan 0.000 0.439 608 V N -0.602 119.455 119.914 0.239 0.000 2.407 608 V HA -0.215 3.905 4.120 -0.000 0.000 0.245 608 V C 2.006 178.218 176.094 0.197 0.000 1.041 608 V CA 1.581 64.052 62.300 0.285 0.000 1.040 608 V CB -0.398 31.549 31.823 0.207 0.000 0.671 608 V HN 0.364 nan 8.190 nan 0.000 0.455 609 D N -0.014 120.464 120.400 0.130 0.000 2.123 609 D HA -0.174 4.465 4.640 -0.000 0.000 0.196 609 D C 2.146 178.538 176.300 0.153 0.000 0.992 609 D CA 1.513 55.572 54.000 0.100 0.000 0.833 609 D CB -0.257 40.564 40.800 0.036 0.000 0.954 609 D HN 0.339 nan 8.370 nan 0.000 0.455 610 M N -0.263 119.463 119.600 0.209 0.000 2.296 610 M HA -0.085 4.394 4.480 -0.000 0.000 0.265 610 M C 2.214 178.752 176.300 0.397 0.000 1.064 610 M CA 0.883 56.358 55.300 0.292 0.000 1.109 610 M CB 0.046 32.784 32.600 0.231 0.000 1.396 610 M HN -0.088 nan 8.290 nan 0.000 0.430 611 R N 0.493 121.211 120.500 0.362 0.000 2.090 611 R HA -0.129 4.211 4.340 -0.000 0.000 0.228 611 R C 1.346 177.767 176.300 0.202 0.000 1.110 611 R CA 1.500 57.748 56.100 0.246 0.000 0.973 611 R CB -0.052 30.158 30.300 -0.150 0.000 0.869 611 R HN 0.266 nan 8.270 nan 0.000 0.440 612 D N 0.857 121.349 120.400 0.154 0.000 2.178 612 D HA -0.162 4.478 4.640 -0.000 0.000 0.201 612 D C 1.820 178.199 176.300 0.132 0.000 0.980 612 D CA 0.739 54.810 54.000 0.118 0.000 0.842 612 D CB -0.047 40.809 40.800 0.093 0.000 0.948 612 D HN 0.200 nan 8.370 nan 0.000 0.472 613 L N 0.533 121.853 121.223 0.163 0.000 2.056 613 L HA -0.099 4.241 4.340 -0.000 0.000 0.207 613 L C 2.158 179.127 176.870 0.166 0.000 1.078 613 L CA 1.470 56.403 54.840 0.156 0.000 0.749 613 L CB -0.467 41.704 42.059 0.187 0.000 0.901 613 L HN 0.014 nan 8.230 nan 0.000 0.433 614 C N -1.101 118.331 119.300 0.221 0.000 2.432 614 C HA -0.036 4.424 4.460 -0.000 0.000 0.280 614 C C 2.791 177.865 174.990 0.139 0.000 1.353 614 C CA 0.981 60.113 59.018 0.191 0.000 1.766 614 C CB -1.127 26.754 27.740 0.235 0.000 1.924 614 C HN 0.587 nan 8.230 nan 0.000 0.509 615 S N 0.041 115.837 115.700 0.160 0.000 2.453 615 S HA -0.105 4.365 4.470 -0.000 0.000 0.231 615 S C 1.695 176.342 174.600 0.078 0.000 1.005 615 S CA 0.866 59.136 58.200 0.117 0.000 0.949 615 S CB -0.236 63.030 63.200 0.111 0.000 0.774 615 S HN 0.637 nan 8.310 nan 0.000 0.510 616 S N 1.037 116.785 115.700 0.080 0.000 2.763 616 S HA 0.245 4.715 4.470 -0.000 0.000 0.237 616 S C 0.364 174.995 174.600 0.052 0.000 0.966 616 S CA -0.459 57.778 58.200 0.061 0.000 1.017 616 S CB -0.146 63.093 63.200 0.064 0.000 0.780 616 S HN 0.380 nan 8.310 nan 0.000 0.476 617 R N 0.000 120.527 120.500 0.046 0.000 2.786 617 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 617 R CA 0.000 56.118 56.100 0.030 0.000 0.921 617 R CB 0.000 30.314 30.300 0.024 0.000 0.687 617 R HN 0.000 nan 8.270 nan 0.000 0.535