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 1hqn_1_A DATA FIRST_RESID 16 DATA SEQUENCE RNQQAXAANL QARQIVLQQS YPVIQQVETQ TFDPANRSVF DVTPANVGIV DATA SEQUENCE KGFLVKVTAA ITNNHATEAV ALTDFGPANL VQRVIYYDPD NQRHTETSGW DATA SEQUENCE HLHFVNTAKQ GAPFLSSXVT DSPIKYGDVX NVIDAPATIA AGATGELTXY DATA SEQUENCE YWVPLAYSET DLTGAVLANV PQSKQRLKLE FANNNTAFAA VGANPLEAIY DATA SEQUENCE QGAGAADCEF EEISYTVYQS YLDQLPVGQN GYILPLIDLS TLYNLENSAQ DATA SEQUENCE AGLTPNVDFV VQYANLYRYL STIAVFDNGG SFNAGTDINY LSQRTANFSD DATA SEQUENCE TRKLDPKTWA AQTRRRIATD FPKGVYYCDN RDKPIYTLQY GNVGFVVNPK DATA SEQUENCE TVNQNARLLX GYEYFTSRT 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 16 R HA 0.000 nan 4.340 nan 0.000 0.208 16 R C 0.000 176.301 176.300 0.001 0.000 0.893 16 R CA 0.000 56.102 56.100 0.003 0.000 0.921 16 R CB 0.000 30.301 30.300 0.002 0.000 0.687 17 N N -1.700 116.999 118.700 -0.000 0.000 3.826 17 N HA -0.373 4.367 4.740 -0.000 0.000 0.217 17 N C 2.129 177.634 175.510 -0.007 0.000 0.197 17 N CA 4.338 57.386 53.050 -0.004 0.000 2.951 17 N CB -1.917 36.569 38.487 -0.001 0.000 1.282 17 N HN 2.227 nan 8.380 nan 0.000 0.338 18 Q N -1.406 118.391 119.800 -0.006 0.000 2.173 18 Q HA -0.056 4.284 4.340 -0.000 0.000 0.208 18 Q C 3.074 179.070 176.000 -0.007 0.000 0.989 18 Q CA 4.534 60.333 55.803 -0.007 0.000 0.872 18 Q CB -1.830 26.906 28.738 -0.004 0.000 0.909 18 Q HN 2.317 nan 8.270 nan 0.000 0.420 19 Q N -0.173 119.624 119.800 -0.004 0.000 1.993 19 Q HA 0.407 4.747 4.340 -0.000 0.000 0.202 19 Q C 2.173 178.170 176.000 -0.005 0.000 0.984 19 Q CA 1.824 57.625 55.803 -0.003 0.000 0.837 19 Q CB -1.243 27.495 28.738 -0.001 0.000 0.902 19 Q HN 1.473 nan 8.270 nan 0.000 0.423 23 A N 0.984 123.800 122.820 -0.007 0.000 1.873 23 A HA -0.122 4.197 4.320 -0.000 0.000 0.215 23 A C 1.910 179.492 177.584 -0.003 0.000 1.186 23 A CA 2.010 54.046 52.037 -0.003 0.000 0.616 23 A CB -0.733 18.267 19.000 -0.000 0.000 0.823 23 A HN 0.617 nan 8.150 nan 0.000 0.442 24 N N 0.076 118.771 118.700 -0.010 0.000 2.084 24 N HA -0.167 4.573 4.740 -0.000 0.000 0.190 24 N C 1.752 177.255 175.510 -0.013 0.000 1.030 24 N CA 1.832 54.874 53.050 -0.013 0.000 0.849 24 N CB -0.280 38.191 38.487 -0.027 0.000 1.012 24 N HN 0.324 nan 8.380 nan 0.000 0.423 25 L N 1.856 123.069 121.223 -0.017 0.000 2.131 25 L HA -0.103 4.237 4.340 -0.000 0.000 0.210 25 L C 2.544 179.411 176.870 -0.006 0.000 1.092 25 L CA 1.578 56.410 54.840 -0.015 0.000 0.759 25 L CB -0.918 41.131 42.059 -0.017 0.000 0.903 25 L HN 0.290 nan 8.230 nan 0.000 0.435 26 Q N -0.869 118.929 119.800 -0.003 0.000 2.049 26 Q HA -0.162 4.178 4.340 -0.000 0.000 0.198 26 Q C 2.157 178.161 176.000 0.006 0.000 0.971 26 Q CA 1.574 57.377 55.803 0.001 0.000 0.833 26 Q CB -0.173 28.566 28.738 0.001 0.000 0.896 26 Q HN 0.602 nan 8.270 nan 0.000 0.434 27 A N 1.188 124.013 122.820 0.009 0.000 1.940 27 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 27 A C 2.084 179.680 177.584 0.020 0.000 1.176 27 A CA 1.635 53.682 52.037 0.017 0.000 0.631 27 A CB -0.636 18.377 19.000 0.021 0.000 0.814 27 A HN 0.436 nan 8.150 nan 0.000 0.446 28 R N -0.324 120.184 120.500 0.013 0.000 2.073 28 R HA -0.186 4.154 4.340 -0.000 0.000 0.234 28 R C 2.360 178.669 176.300 0.015 0.000 1.134 28 R CA 1.975 58.083 56.100 0.014 0.000 0.952 28 R CB -0.356 29.945 30.300 0.003 0.000 0.850 28 R HN 0.693 nan 8.270 nan 0.000 0.433 29 Q N 0.017 119.822 119.800 0.010 0.000 2.124 29 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 29 Q C 2.238 178.245 176.000 0.012 0.000 0.977 29 Q CA 1.688 57.496 55.803 0.008 0.000 0.850 29 Q CB -0.109 28.631 28.738 0.004 0.000 0.901 29 Q HN 0.450 nan 8.270 nan 0.000 0.429 30 I N 0.099 120.677 120.570 0.014 0.000 2.179 30 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 30 I C 2.270 178.401 176.117 0.025 0.000 1.088 30 I CA 0.895 62.205 61.300 0.016 0.000 1.357 30 I CB -0.365 37.643 38.000 0.014 0.000 1.051 30 I HN 0.042 nan 8.210 nan 0.000 0.409 31 V N 1.251 121.185 119.914 0.034 0.000 2.287 31 V HA -0.301 3.819 4.120 -0.000 0.000 0.248 31 V C 2.435 178.555 176.094 0.042 0.000 1.053 31 V CA 1.863 64.193 62.300 0.049 0.000 1.027 31 V CB -0.521 31.336 31.823 0.058 0.000 0.646 31 V HN 0.366 nan 8.190 nan 0.000 0.447 32 L N -0.750 120.491 121.223 0.029 0.000 2.046 32 L HA -0.265 4.074 4.340 -0.000 0.000 0.208 32 L C 2.695 179.574 176.870 0.014 0.000 1.077 32 L CA 1.780 56.631 54.840 0.019 0.000 0.747 32 L CB -0.622 41.443 42.059 0.010 0.000 0.896 32 L HN 0.400 nan 8.230 nan 0.000 0.432 33 Q N -0.778 119.031 119.800 0.015 0.000 2.046 33 Q HA -0.209 4.131 4.340 -0.000 0.000 0.200 33 Q C 2.315 178.330 176.000 0.024 0.000 0.975 33 Q CA 1.277 57.088 55.803 0.013 0.000 0.836 33 Q CB -0.003 28.741 28.738 0.011 0.000 0.896 33 Q HN 0.483 nan 8.270 nan 0.000 0.428 34 Q N 0.255 120.074 119.800 0.032 0.000 2.204 34 Q HA 0.033 4.373 4.340 -0.000 0.000 0.198 34 Q C 1.207 177.252 176.000 0.074 0.000 0.946 34 Q CA 0.541 56.371 55.803 0.044 0.000 0.859 34 Q CB -0.073 28.683 28.738 0.030 0.000 0.946 34 Q HN 0.285 nan 8.270 nan 0.000 0.474 35 S N 0.029 115.777 115.700 0.079 0.000 2.580 35 S HA 0.075 4.545 4.470 -0.000 0.000 0.266 35 S C -0.384 174.305 174.600 0.148 0.000 1.354 35 S CA -0.515 57.755 58.200 0.117 0.000 1.008 35 S CB 0.404 63.666 63.200 0.104 0.000 0.898 35 S HN 0.212 nan 8.310 nan 0.000 0.555 36 Y N 3.258 123.568 120.300 0.016 0.000 2.434 36 Y HA 0.416 4.966 4.550 -0.000 0.000 0.341 36 Y C -2.299 173.569 175.900 -0.054 0.000 0.965 36 Y CA -2.466 55.628 58.100 -0.010 0.000 1.205 36 Y CB 1.249 39.712 38.460 0.005 0.000 1.121 36 Y HN 0.533 nan 8.280 nan 0.000 0.507 37 P HA 0.136 nan 4.420 nan 0.000 0.276 37 P C -1.108 175.979 177.300 -0.355 0.000 1.253 37 P CA 0.264 63.210 63.100 -0.256 0.000 0.766 37 P CB 1.661 33.235 31.700 -0.210 0.000 0.845 38 V N 5.324 124.989 119.914 -0.416 0.000 2.823 38 V HA 0.487 4.606 4.120 -0.000 0.000 0.312 38 V C -0.021 175.851 176.094 -0.370 0.000 1.072 38 V CA -0.741 61.288 62.300 -0.452 0.000 0.937 38 V CB 2.273 33.698 31.823 -0.664 0.000 1.013 38 V HN 0.461 nan 8.190 nan 0.000 0.430 39 I N 4.103 124.597 120.570 -0.127 0.000 2.497 39 I HA 0.625 4.795 4.170 -0.000 0.000 0.284 39 I C -0.585 175.645 176.117 0.188 0.000 1.060 39 I CA 0.147 61.482 61.300 0.057 0.000 1.071 39 I CB 1.589 39.617 38.000 0.047 0.000 1.216 39 I HN 0.875 nan 8.210 nan 0.000 0.442 40 Q N 5.169 125.159 119.800 0.317 0.000 2.379 40 Q HA 0.448 4.788 4.340 -0.000 0.000 0.278 40 Q C -1.333 174.863 176.000 0.326 0.000 1.068 40 Q CA -0.930 55.080 55.803 0.346 0.000 0.816 40 Q CB 1.568 30.474 28.738 0.280 0.000 1.387 40 Q HN 0.686 nan 8.270 nan 0.000 0.413 41 Q N 1.361 121.261 119.800 0.167 0.000 2.274 41 Q HA 0.088 4.428 4.340 -0.000 0.000 0.280 41 Q C -0.487 175.498 176.000 -0.025 0.000 1.047 41 Q CA 0.156 55.840 55.803 -0.198 0.000 0.907 41 Q CB 1.031 29.584 28.738 -0.308 0.000 1.171 41 Q HN 0.714 nan 8.270 nan 0.000 0.381 42 V N 3.311 123.217 119.914 -0.013 0.000 3.212 42 V HA 0.175 4.294 4.120 -0.000 0.000 0.244 42 V C 0.175 176.284 176.094 0.024 0.000 1.151 42 V CA 0.879 63.214 62.300 0.059 0.000 1.119 42 V CB 0.449 32.359 31.823 0.145 0.000 0.838 42 V HN 0.902 nan 8.190 nan 0.000 0.470 43 E N -1.178 119.020 120.200 -0.005 0.000 2.400 43 E HA 0.417 4.767 4.350 -0.000 0.000 0.285 43 E C -1.572 174.984 176.600 -0.073 0.000 1.005 43 E CA -0.321 56.076 56.400 -0.005 0.000 0.816 43 E CB 2.172 31.921 29.700 0.083 0.000 1.220 43 E HN 0.137 nan 8.360 nan 0.000 0.426 44 T N 2.613 117.059 114.554 -0.180 0.000 2.912 44 T HA 0.534 4.884 4.350 -0.000 0.000 0.299 44 T C -1.402 173.011 174.700 -0.479 0.000 1.052 44 T CA -0.639 61.263 62.100 -0.330 0.000 0.996 44 T CB 1.740 70.482 68.868 -0.210 0.000 1.070 44 T HN 0.481 nan 8.240 nan 0.000 0.465 45 Q N 0.852 120.180 119.800 -0.786 0.000 2.479 45 Q HA 0.561 4.901 4.340 -0.000 0.000 0.276 45 Q C -1.813 173.883 176.000 -0.507 0.000 0.989 45 Q CA -0.604 54.813 55.803 -0.643 0.000 0.864 45 Q CB 2.029 30.318 28.738 -0.749 0.000 1.444 45 Q HN 0.655 nan 8.270 nan 0.000 0.388 46 T N 3.253 117.666 114.554 -0.236 0.000 2.863 46 T HA 0.815 5.165 4.350 -0.000 0.000 0.285 46 T C -1.219 173.484 174.700 0.005 0.000 1.009 46 T CA -0.382 61.612 62.100 -0.177 0.000 0.989 46 T CB 0.541 69.316 68.868 -0.155 0.000 1.004 46 T HN 0.462 nan 8.240 nan 0.000 0.455 47 F N -0.596 119.249 119.950 -0.174 0.000 2.831 47 F HA 0.736 5.263 4.527 0.000 0.000 0.318 47 F C -1.745 174.034 175.800 -0.034 0.000 1.174 47 F CA -1.323 56.640 58.000 -0.061 0.000 0.918 47 F CB 1.112 40.135 39.000 0.037 0.000 1.364 47 F HN 0.336 nan 8.300 nan 0.000 0.475 48 D N 1.273 121.794 120.400 0.202 0.000 2.425 48 D HA 0.425 5.065 4.640 -0.000 0.000 0.240 48 D C -2.180 174.279 176.300 0.264 0.000 1.080 48 D CA -2.311 51.751 54.000 0.103 0.000 0.836 48 D CB 2.318 43.182 40.800 0.107 0.000 1.125 48 D HN 0.190 nan 8.370 nan 0.000 0.525 49 P HA -0.139 nan 4.420 nan 0.000 0.219 49 P C 0.904 178.323 177.300 0.198 0.000 1.144 49 P CA 1.050 64.285 63.100 0.226 0.000 0.806 49 P CB 0.333 32.036 31.700 0.004 0.000 0.771 50 A N -0.787 122.140 122.820 0.178 0.000 1.969 50 A HA -0.171 4.149 4.320 -0.000 0.000 0.218 50 A C 2.093 179.746 177.584 0.114 0.000 1.169 50 A CA 1.557 53.680 52.037 0.143 0.000 0.635 50 A CB -0.877 18.200 19.000 0.129 0.000 0.810 50 A HN 0.155 nan 8.150 nan 0.000 0.445 51 N N -0.335 118.442 118.700 0.128 0.000 2.305 51 N HA 0.041 4.780 4.740 -0.000 0.000 0.179 51 N C 0.494 176.036 175.510 0.052 0.000 1.019 51 N CA 1.051 54.155 53.050 0.091 0.000 0.869 51 N CB 0.075 38.624 38.487 0.103 0.000 1.000 51 N HN 0.764 nan 8.380 nan 0.000 0.431 52 R N -1.385 119.163 120.500 0.081 0.000 2.634 52 R HA 0.415 4.755 4.340 -0.000 0.000 0.263 52 R C -0.793 175.473 176.300 -0.057 0.000 1.060 52 R CA -0.556 55.493 56.100 -0.085 0.000 0.898 52 R CB 0.758 30.900 30.300 -0.263 0.000 1.253 52 R HN -0.057 nan 8.270 nan 0.000 0.461 53 S N -0.444 115.163 115.700 -0.155 0.000 2.893 53 S HA 0.233 4.703 4.470 -0.000 0.000 0.258 53 S C -0.310 174.294 174.600 0.008 0.000 1.034 53 S CA -0.297 57.939 58.200 0.060 0.000 1.167 53 S CB 0.829 64.144 63.200 0.193 0.000 1.137 53 S HN 0.250 nan 8.310 nan 0.000 0.650 54 V N 2.533 122.192 119.914 -0.425 0.000 2.495 54 V HA 0.715 4.835 4.120 -0.000 0.000 0.298 54 V C -1.263 174.381 176.094 -0.751 0.000 1.031 54 V CA -0.473 61.626 62.300 -0.335 0.000 0.871 54 V CB 1.231 32.904 31.823 -0.250 0.000 0.988 54 V HN 0.450 nan 8.190 nan 0.000 0.432 55 F N 1.507 121.394 119.950 -0.105 0.000 2.613 55 F HA 0.559 5.085 4.527 -0.000 0.000 0.310 55 F C -0.407 175.323 175.800 -0.117 0.000 1.085 55 F CA -0.920 57.017 58.000 -0.105 0.000 0.945 55 F CB 2.013 40.965 39.000 -0.080 0.000 1.298 55 F HN 0.347 nan 8.300 nan 0.000 0.455 56 D N 1.092 121.554 120.400 0.103 0.000 2.408 56 D HA 0.595 5.235 4.640 -0.000 0.000 0.243 56 D C -1.218 175.102 176.300 0.032 0.000 1.075 56 D CA -0.084 53.921 54.000 0.009 0.000 0.832 56 D CB 2.016 42.795 40.800 -0.036 0.000 1.162 56 D HN 0.155 nan 8.370 nan 0.000 0.515 57 V N 2.680 122.575 119.914 -0.031 0.000 2.398 57 V HA 0.414 4.534 4.120 -0.000 0.000 0.286 57 V C 0.217 176.275 176.094 -0.059 0.000 1.026 57 V CA -0.555 61.732 62.300 -0.022 0.000 0.868 57 V CB 1.823 33.607 31.823 -0.066 0.000 0.982 57 V HN 0.541 nan 8.190 nan 0.000 0.443 58 T N 7.651 122.195 114.554 -0.017 0.000 2.781 58 T HA 0.373 4.723 4.350 -0.000 0.000 0.305 58 T C -2.149 172.564 174.700 0.021 0.000 1.001 58 T CA -0.790 61.299 62.100 -0.017 0.000 0.950 58 T CB 1.131 69.992 68.868 -0.011 0.000 0.955 58 T HN 0.552 nan 8.240 nan 0.000 0.471 59 P HA 0.448 nan 4.420 nan 0.000 0.274 59 P C -0.615 176.744 177.300 0.097 0.000 1.256 59 P CA -0.646 62.551 63.100 0.163 0.000 0.795 59 P CB 0.709 32.652 31.700 0.404 0.000 1.038 60 A N 1.474 124.335 122.820 0.068 0.000 2.371 60 A HA 0.227 4.547 4.320 -0.000 0.000 0.257 60 A C 0.429 177.967 177.584 -0.076 0.000 1.089 60 A CA -0.468 51.551 52.037 -0.031 0.000 0.794 60 A CB -0.420 18.523 19.000 -0.095 0.000 1.029 60 A HN 0.500 nan 8.150 nan 0.000 0.488 61 N N 1.436 120.090 118.700 -0.077 0.000 3.234 61 N HA 0.347 5.087 4.740 -0.000 0.000 0.272 61 N C -1.295 174.143 175.510 -0.121 0.000 1.254 61 N CA 0.161 53.166 53.050 -0.075 0.000 1.087 61 N CB 0.973 39.438 38.487 -0.036 0.000 1.356 61 N HN 0.309 nan 8.380 nan 0.000 0.511 62 V N -0.256 119.517 119.914 -0.235 0.000 2.577 62 V HA 0.620 4.740 4.120 -0.000 0.000 0.303 62 V C 0.985 176.983 176.094 -0.160 0.000 1.042 62 V CA -0.616 61.547 62.300 -0.229 0.000 0.872 62 V CB 1.275 32.892 31.823 -0.343 0.000 0.998 62 V HN 0.674 nan 8.190 nan 0.000 0.423 63 G N 5.089 113.888 108.800 -0.002 0.000 2.594 63 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.297 63 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.297 63 G C -0.107 174.838 174.900 0.074 0.000 1.273 63 G CA 0.511 45.666 45.100 0.091 0.000 0.974 63 G HN 0.805 nan 8.290 nan 0.000 0.552 64 I N 0.866 121.519 120.570 0.139 0.000 2.312 64 I HA 0.369 4.539 4.170 -0.000 0.000 0.290 64 I C 0.409 176.601 176.117 0.126 0.000 1.008 64 I CA -0.723 60.639 61.300 0.104 0.000 1.226 64 I CB 1.539 39.598 38.000 0.099 0.000 1.371 64 I HN 0.303 nan 8.210 nan 0.000 0.468 65 V N 7.701 127.644 119.914 0.049 0.000 2.488 65 V HA 0.153 4.273 4.120 -0.000 0.000 0.277 65 V C 0.988 177.040 176.094 -0.070 0.000 1.046 65 V CA -0.197 62.091 62.300 -0.019 0.000 0.986 65 V CB 1.068 32.816 31.823 -0.124 0.000 0.989 65 V HN 0.757 nan 8.190 nan 0.000 0.475 66 K N 2.895 123.257 120.400 -0.064 0.000 2.276 66 K HA 0.442 4.762 4.320 -0.000 0.000 0.198 66 K C 0.814 177.333 176.600 -0.134 0.000 1.052 66 K CA 0.749 57.034 56.287 -0.004 0.000 0.984 66 K CB 0.723 33.305 32.500 0.137 0.000 0.836 66 K HN 0.902 nan 8.250 nan 0.000 0.490 67 G N 0.121 108.635 108.800 -0.477 0.000 2.320 67 G HA2 0.398 4.358 3.960 -0.000 0.000 0.296 67 G HA3 0.398 4.358 3.960 -0.000 0.000 0.296 67 G C -1.963 172.146 174.900 -1.319 0.000 1.306 67 G CA -0.979 43.510 45.100 -1.019 0.000 0.836 67 G HN -0.000 nan 8.290 nan 0.000 0.517 68 F N -0.402 118.973 119.950 -0.957 0.000 2.539 68 F HA 0.624 5.151 4.527 -0.000 0.000 0.318 68 F C -0.244 175.407 175.800 -0.248 0.000 1.135 68 F CA -0.792 56.965 58.000 -0.404 0.000 0.915 68 F CB 2.361 41.236 39.000 -0.208 0.000 1.176 68 F HN 0.409 nan 8.300 nan 0.000 0.440 69 L N 4.674 126.137 121.223 0.399 0.000 2.257 69 L HA 0.679 5.019 4.340 -0.000 0.000 0.290 69 L C -0.982 176.222 176.870 0.555 0.000 1.044 69 L CA -0.451 54.771 54.840 0.637 0.000 0.810 69 L CB 1.045 43.535 42.059 0.718 0.000 1.193 69 L HN 0.409 nan 8.230 nan 0.000 0.425 70 V N 5.853 126.061 119.914 0.491 0.000 2.328 70 V HA 0.363 4.483 4.120 -0.000 0.000 0.278 70 V C 0.128 176.424 176.094 0.336 0.000 1.021 70 V CA -0.777 61.755 62.300 0.387 0.000 0.838 70 V CB 1.026 33.002 31.823 0.255 0.000 0.999 70 V HN 0.714 nan 8.190 nan 0.000 0.447 71 K N 4.332 124.851 120.400 0.199 0.000 2.227 71 K HA 0.668 4.988 4.320 -0.000 0.000 0.280 71 K C -1.290 175.313 176.600 0.005 0.000 1.041 71 K CA -0.342 55.801 56.287 -0.240 0.000 0.905 71 K CB 1.460 33.831 32.500 -0.215 0.000 1.068 71 K HN 0.490 nan 8.250 nan 0.000 0.470 72 V N 3.620 123.514 119.914 -0.033 0.000 2.577 72 V HA 0.345 4.465 4.120 -0.000 0.000 0.303 72 V C -0.399 175.728 176.094 0.054 0.000 1.042 72 V CA -0.833 61.555 62.300 0.146 0.000 0.872 72 V CB 1.737 33.777 31.823 0.361 0.000 0.998 72 V HN 1.010 nan 8.190 nan 0.000 0.423 73 T N 1.333 115.910 114.554 0.039 0.000 2.908 73 T HA 0.965 5.315 4.350 -0.000 0.000 0.290 73 T C -0.486 174.234 174.700 0.034 0.000 1.034 73 T CA -0.522 61.597 62.100 0.032 0.000 1.010 73 T CB 2.307 71.178 68.868 0.005 0.000 1.068 73 T HN 1.373 nan 8.240 nan 0.000 0.481 74 A N 0.710 123.582 122.820 0.087 0.000 2.604 74 A HA 0.908 5.228 4.320 -0.000 0.000 0.295 74 A C -1.044 176.631 177.584 0.151 0.000 1.067 74 A CA -0.794 51.327 52.037 0.139 0.000 0.683 74 A CB 1.219 20.412 19.000 0.321 0.000 1.281 74 A HN 1.687 nan 8.150 nan 0.000 0.407 75 A N 1.337 124.252 122.820 0.158 0.000 2.319 75 A HA 0.752 5.072 4.320 -0.000 0.000 0.310 75 A C -0.826 176.827 177.584 0.115 0.000 1.152 75 A CA -0.279 51.820 52.037 0.103 0.000 0.783 75 A CB 0.338 19.370 19.000 0.054 0.000 1.184 75 A HN 0.737 nan 8.150 nan 0.000 0.474 76 I N 2.136 122.725 120.570 0.031 0.000 2.406 76 I HA 0.362 4.532 4.170 -0.000 0.000 0.290 76 I C -0.262 175.772 176.117 -0.139 0.000 0.999 76 I CA -0.270 60.981 61.300 -0.082 0.000 1.124 76 I CB 2.375 40.313 38.000 -0.103 0.000 1.289 76 I HN 0.544 nan 8.210 nan 0.000 0.441 77 T N 4.331 118.786 114.554 -0.166 0.000 2.779 77 T HA 0.215 4.565 4.350 -0.000 0.000 0.280 77 T C -0.062 174.484 174.700 -0.257 0.000 0.987 77 T CA -0.551 61.448 62.100 -0.168 0.000 0.966 77 T CB 0.924 69.734 68.868 -0.098 0.000 0.933 77 T HN 0.402 nan 8.240 nan 0.000 0.442 78 N N 2.863 121.420 118.700 -0.239 0.000 2.645 78 N HA 0.089 4.829 4.740 -0.000 0.000 0.233 78 N C 0.397 175.825 175.510 -0.137 0.000 1.058 78 N CA -0.460 52.444 53.050 -0.243 0.000 0.942 78 N CB 0.343 38.693 38.487 -0.229 0.000 1.210 78 N HN 0.484 nan 8.380 nan 0.000 0.512 79 N N 1.749 120.374 118.700 -0.126 0.000 2.421 79 N HA -0.075 4.665 4.740 -0.000 0.000 0.201 79 N C -0.261 175.218 175.510 -0.051 0.000 1.198 79 N CA 0.021 53.023 53.050 -0.079 0.000 0.838 79 N CB -0.301 38.139 38.487 -0.078 0.000 1.011 79 N HN 0.557 nan 8.380 nan 0.000 0.463 80 H N -0.862 118.139 119.070 -0.115 0.000 2.707 80 H HA 0.353 4.909 4.556 -0.000 0.000 0.359 80 H C 1.201 176.488 175.328 -0.068 0.000 1.113 80 H CA 0.458 56.454 56.048 -0.087 0.000 1.422 80 H CB 1.310 31.018 29.762 -0.091 0.000 1.443 80 H HN 0.178 nan 8.280 nan 0.000 0.591 81 A N 2.422 125.047 122.820 -0.325 0.000 1.929 81 A HA -0.106 4.214 4.320 -0.000 0.000 0.216 81 A C 1.876 179.475 177.584 0.024 0.000 1.176 81 A CA 2.051 54.004 52.037 -0.141 0.000 0.628 81 A CB -0.454 18.424 19.000 -0.203 0.000 0.816 81 A HN 0.867 nan 8.150 nan 0.000 0.444 82 T N -5.064 109.626 114.554 0.226 0.000 3.051 82 T HA 0.180 4.530 4.350 -0.000 0.000 0.254 82 T C 0.126 174.913 174.700 0.145 0.000 0.916 82 T CA -0.253 61.949 62.100 0.169 0.000 0.894 82 T CB 0.090 69.023 68.868 0.109 0.000 1.251 82 T HN 0.149 nan 8.240 nan 0.000 0.517 83 E N 1.919 122.227 120.200 0.179 0.000 2.249 83 E HA 0.726 5.076 4.350 -0.000 0.000 0.280 83 E C -0.170 176.317 176.600 -0.189 0.000 1.016 83 E CA -0.276 56.006 56.400 -0.197 0.000 0.830 83 E CB 1.762 31.115 29.700 -0.577 0.000 1.081 83 E HN 0.586 nan 8.360 nan 0.000 0.395 84 A N 2.118 124.859 122.820 -0.131 0.000 2.248 84 A HA 0.701 5.021 4.320 -0.000 0.000 0.316 84 A C -0.129 177.388 177.584 -0.112 0.000 1.101 84 A CA -0.573 51.399 52.037 -0.109 0.000 0.875 84 A CB 0.823 19.784 19.000 -0.065 0.000 1.207 84 A HN 0.399 nan 8.150 nan 0.000 0.504 85 V N -3.825 116.033 119.914 -0.094 0.000 3.040 85 V HA 0.954 5.074 4.120 -0.000 0.000 0.312 85 V C -0.223 175.925 176.094 0.090 0.000 1.115 85 V CA -0.338 61.952 62.300 -0.017 0.000 0.998 85 V CB 1.139 32.940 31.823 -0.037 0.000 1.042 85 V HN 1.901 nan 8.190 nan 0.000 0.433 86 A N 2.620 125.567 122.820 0.212 0.000 2.454 86 A HA 0.834 5.154 4.320 -0.000 0.000 0.302 86 A C -0.573 177.176 177.584 0.276 0.000 1.079 86 A CA -0.970 51.225 52.037 0.264 0.000 0.731 86 A CB 1.462 20.530 19.000 0.112 0.000 1.299 86 A HN 1.103 nan 8.150 nan 0.000 0.413 87 L N 1.988 123.287 121.223 0.126 0.000 2.543 87 L HA 0.103 4.443 4.340 -0.000 0.000 0.285 87 L C 1.493 178.287 176.870 -0.127 0.000 1.236 87 L CA 0.240 54.940 54.840 -0.233 0.000 0.871 87 L CB 0.341 42.280 42.059 -0.200 0.000 1.121 87 L HN 0.997 nan 8.230 nan 0.000 0.501 88 T N -1.816 112.628 114.554 -0.184 0.000 2.770 88 T HA 0.092 4.442 4.350 -0.000 0.000 0.281 88 T C 0.781 175.399 174.700 -0.137 0.000 0.981 88 T CA -0.806 61.196 62.100 -0.163 0.000 0.955 88 T CB 0.832 69.568 68.868 -0.220 0.000 1.060 88 T HN 0.504 nan 8.240 nan 0.000 0.531 89 D N -0.150 120.134 120.400 -0.193 0.000 2.144 89 D HA -0.031 4.609 4.640 -0.000 0.000 0.199 89 D C 1.562 177.996 176.300 0.225 0.000 0.984 89 D CA 1.120 55.092 54.000 -0.048 0.000 0.834 89 D CB -0.228 40.483 40.800 -0.149 0.000 0.955 89 D HN 0.476 nan 8.370 nan 0.000 0.465 90 F N 0.274 120.154 119.950 -0.117 0.000 2.473 90 F HA 0.234 4.761 4.527 -0.000 0.000 0.294 90 F C 2.194 177.943 175.800 -0.085 0.000 1.103 90 F CA 0.398 58.365 58.000 -0.055 0.000 1.442 90 F CB -0.996 37.936 39.000 -0.114 0.000 1.097 90 F HN -0.032 nan 8.300 nan 0.000 0.547 91 G N 2.738 111.561 108.800 0.037 0.000 2.672 91 G HA2 -0.340 3.620 3.960 -0.000 0.000 0.324 91 G HA3 -0.340 3.620 3.960 -0.000 0.000 0.324 91 G C -1.080 173.787 174.900 -0.055 0.000 1.286 91 G CA 0.588 45.624 45.100 -0.106 0.000 1.004 91 G HN 0.211 nan 8.290 nan 0.000 0.548 92 P HA 0.011 nan 4.420 nan 0.000 0.226 92 P C 1.625 178.927 177.300 0.005 0.000 1.146 92 P CA 2.323 65.422 63.100 -0.002 0.000 0.773 92 P CB -0.403 31.288 31.700 -0.016 0.000 0.772 93 A N 0.098 122.886 122.820 -0.053 0.000 2.121 93 A HA -0.106 4.214 4.320 -0.000 0.000 0.218 93 A C 1.821 179.533 177.584 0.213 0.000 1.154 93 A CA 1.073 53.069 52.037 -0.068 0.000 0.679 93 A CB -0.961 17.912 19.000 -0.211 0.000 0.795 93 A HN 0.132 nan 8.150 nan 0.000 0.458 94 N N -0.355 118.471 118.700 0.210 0.000 2.276 94 N HA 0.203 4.943 4.740 -0.000 0.000 0.212 94 N C 1.028 176.677 175.510 0.232 0.000 1.127 94 N CA 0.057 53.254 53.050 0.246 0.000 0.834 94 N CB 0.132 38.745 38.487 0.210 0.000 1.014 94 N HN 0.465 nan 8.380 nan 0.000 0.491 95 L N -0.327 121.066 121.223 0.284 0.000 2.141 95 L HA 0.002 4.342 4.340 -0.000 0.000 0.209 95 L C 0.331 177.362 176.870 0.268 0.000 1.094 95 L CA 0.828 55.861 54.840 0.323 0.000 0.763 95 L CB 0.209 42.486 42.059 0.363 0.000 0.908 95 L HN -0.109 nan 8.230 nan 0.000 0.437 96 V N -0.200 119.795 119.914 0.135 0.000 2.370 96 V HA 0.097 4.217 4.120 -0.000 0.000 0.283 96 V C 0.625 176.621 176.094 -0.163 0.000 1.023 96 V CA -0.338 61.807 62.300 -0.258 0.000 0.857 96 V CB 1.595 32.946 31.823 -0.785 0.000 0.985 96 V HN 0.243 nan 8.190 nan 0.000 0.443 97 Q N 3.669 123.387 119.800 -0.136 0.000 2.062 97 Q HA 0.130 4.470 4.340 -0.000 0.000 0.196 97 Q C 0.335 176.250 176.000 -0.143 0.000 0.967 97 Q CA 1.066 56.836 55.803 -0.055 0.000 0.832 97 Q CB 0.355 29.087 28.738 -0.010 0.000 0.899 97 Q HN 0.625 nan 8.270 nan 0.000 0.442 98 R N -1.028 119.335 120.500 -0.227 0.000 2.764 98 R HA 0.627 4.967 4.340 -0.000 0.000 0.270 98 R C -1.591 174.527 176.300 -0.304 0.000 1.014 98 R CA -0.614 55.343 56.100 -0.238 0.000 0.904 98 R CB 2.273 32.480 30.300 -0.155 0.000 1.236 98 R HN -0.163 nan 8.270 nan 0.000 0.466 99 V N 1.919 121.674 119.914 -0.264 0.000 2.971 99 V HA 0.616 4.735 4.120 -0.000 0.000 0.309 99 V C -0.903 175.087 176.094 -0.173 0.000 1.130 99 V CA -0.699 61.446 62.300 -0.258 0.000 0.964 99 V CB 2.464 34.106 31.823 -0.302 0.000 1.029 99 V HN 0.569 nan 8.190 nan 0.000 0.427 100 I N 3.294 123.784 120.570 -0.134 0.000 2.644 100 I HA 0.450 4.620 4.170 -0.000 0.000 0.291 100 I C -1.814 174.275 176.117 -0.045 0.000 1.180 100 I CA -0.658 60.580 61.300 -0.103 0.000 1.040 100 I CB 2.436 40.389 38.000 -0.079 0.000 1.255 100 I HN 0.720 nan 8.210 nan 0.000 0.422 101 Y N 6.181 126.361 120.300 -0.200 0.000 2.376 101 Y HA 0.597 5.147 4.550 -0.000 0.000 0.340 101 Y C -1.735 174.070 175.900 -0.159 0.000 0.965 101 Y CA -0.686 57.331 58.100 -0.138 0.000 1.078 101 Y CB 1.356 39.734 38.460 -0.136 0.000 1.193 101 Y HN 0.362 nan 8.280 nan 0.000 0.452 102 Y N 4.790 124.612 120.300 -0.796 0.000 2.341 102 Y HA 0.282 4.832 4.550 -0.000 0.000 0.338 102 Y C -0.042 175.312 175.900 -0.910 0.000 0.965 102 Y CA -1.018 56.757 58.100 -0.542 0.000 1.108 102 Y CB 1.104 39.378 38.460 -0.311 0.000 1.180 102 Y HN 0.730 nan 8.280 nan 0.000 0.458 103 D N 3.010 123.257 120.400 -0.255 0.000 2.447 103 D HA 0.208 4.848 4.640 -0.000 0.000 0.265 103 D C -2.161 174.129 176.300 -0.016 0.000 1.250 103 D CA -2.143 51.807 54.000 -0.083 0.000 1.046 103 D CB 0.211 41.172 40.800 0.268 0.000 1.095 103 D HN 0.172 nan 8.370 nan 0.000 0.555 104 P HA -0.082 nan 4.420 nan 0.000 0.218 104 P C 0.107 177.423 177.300 0.026 0.000 1.148 104 P CA 1.147 64.260 63.100 0.021 0.000 0.822 104 P CB 0.065 31.786 31.700 0.034 0.000 0.784 105 D N -1.643 118.792 120.400 0.058 0.000 2.325 105 D HA 0.018 4.658 4.640 -0.000 0.000 0.234 105 D C 0.394 176.731 176.300 0.062 0.000 1.122 105 D CA 0.161 54.193 54.000 0.054 0.000 0.850 105 D CB -0.948 39.891 40.800 0.065 0.000 0.921 105 D HN 0.024 nan 8.370 nan 0.000 0.513 106 N N 0.908 119.649 118.700 0.068 0.000 2.741 106 N HA -0.242 4.498 4.740 -0.000 0.000 0.251 106 N C -0.297 175.328 175.510 0.191 0.000 1.112 106 N CA 0.569 53.688 53.050 0.115 0.000 0.750 106 N CB -0.837 37.682 38.487 0.054 0.000 1.119 106 N HN 0.214 nan 8.380 nan 0.000 0.561 107 Q N 0.872 120.763 119.800 0.151 0.000 2.256 107 Q HA 0.381 4.721 4.340 -0.000 0.000 0.254 107 Q C -0.391 175.674 176.000 0.108 0.000 0.916 107 Q CA -0.270 55.602 55.803 0.116 0.000 0.932 107 Q CB 0.742 29.537 28.738 0.095 0.000 1.207 107 Q HN 0.247 nan 8.270 nan 0.000 0.426 108 R N 3.226 123.698 120.500 -0.047 0.000 2.390 108 R HA 0.245 4.585 4.340 -0.000 0.000 0.291 108 R C 0.311 176.608 176.300 -0.006 0.000 1.070 108 R CA -0.153 55.832 56.100 -0.191 0.000 1.014 108 R CB 0.650 30.709 30.300 -0.402 0.000 1.007 108 R HN 0.813 nan 8.270 nan 0.000 0.466 109 H N 0.474 119.528 119.070 -0.026 0.000 4.055 109 H HA 0.128 4.684 4.556 -0.000 0.000 0.197 109 H C 0.154 175.408 175.328 -0.124 0.000 1.410 109 H CA -0.181 55.856 56.048 -0.018 0.000 1.675 109 H CB 0.290 30.102 29.762 0.084 0.000 1.589 109 H HN 0.381 nan 8.280 nan 0.000 0.467 110 T N 1.439 116.003 114.554 0.016 0.000 2.916 110 T HA 0.084 4.434 4.350 -0.000 0.000 0.303 110 T C 0.120 174.763 174.700 -0.095 0.000 1.025 110 T CA 0.476 62.506 62.100 -0.115 0.000 1.142 110 T CB 0.317 69.085 68.868 -0.167 0.000 0.947 110 T HN 0.400 nan 8.240 nan 0.000 0.544 111 E N 2.091 122.234 120.200 -0.096 0.000 2.649 111 E HA 0.418 4.768 4.350 -0.000 0.000 0.310 111 E C -0.862 175.696 176.600 -0.071 0.000 1.036 111 E CA -0.454 55.892 56.400 -0.091 0.000 0.772 111 E CB 0.906 30.558 29.700 -0.080 0.000 1.513 111 E HN 0.595 nan 8.360 nan 0.000 0.384 112 T N 0.889 115.378 114.554 -0.109 0.000 2.711 112 T HA 0.441 4.791 4.350 -0.000 0.000 0.302 112 T C -0.893 173.679 174.700 -0.215 0.000 1.373 112 T CA -0.162 61.866 62.100 -0.121 0.000 1.000 112 T CB 1.090 69.956 68.868 -0.004 0.000 1.483 112 T HN 0.422 nan 8.240 nan 0.000 0.499 113 S N -0.049 115.453 115.700 -0.331 0.000 2.632 113 S HA 0.486 4.956 4.470 -0.000 0.000 0.267 113 S C 1.617 175.964 174.600 -0.422 0.000 1.276 113 S CA 0.098 58.035 58.200 -0.437 0.000 0.998 113 S CB 0.816 63.541 63.200 -0.792 0.000 0.953 113 S HN 1.074 nan 8.310 nan 0.000 0.547 114 G N 0.869 109.477 108.800 -0.319 0.000 2.402 114 G HA2 -0.148 3.812 3.960 -0.000 0.000 0.216 114 G HA3 -0.148 3.812 3.960 -0.000 0.000 0.216 114 G C 1.337 176.242 174.900 0.007 0.000 1.162 114 G CA 0.697 45.664 45.100 -0.221 0.000 0.777 114 G HN 0.951 nan 8.290 nan 0.000 0.539 115 W N 0.277 121.535 121.300 -0.069 0.000 2.388 115 W HA -0.044 4.616 4.660 -0.000 0.000 0.294 115 W C 1.800 178.019 176.519 -0.501 0.000 1.212 115 W CA 0.863 57.975 57.345 -0.387 0.000 1.271 115 W CB -1.109 28.059 29.460 -0.485 0.000 1.126 115 W HN 0.401 nan 8.180 nan 0.000 0.535 116 H N 1.349 120.059 119.070 -0.601 0.000 2.321 116 H HA -0.200 4.356 4.556 -0.000 0.000 0.300 116 H C 2.369 177.595 175.328 -0.169 0.000 1.087 116 H CA 1.994 57.816 56.048 -0.376 0.000 1.319 116 H CB -0.167 29.205 29.762 -0.651 0.000 1.379 116 H HN 0.120 nan 8.280 nan 0.000 0.501 117 L N 1.062 122.071 121.223 -0.357 0.000 2.043 117 L HA -0.219 4.121 4.340 -0.000 0.000 0.212 117 L C 2.583 179.364 176.870 -0.148 0.000 1.075 117 L CA 2.479 57.147 54.840 -0.287 0.000 0.752 117 L CB -1.159 40.805 42.059 -0.160 0.000 0.891 117 L HN 0.378 nan 8.230 nan 0.000 0.432 118 H N -1.200 117.797 119.070 -0.122 0.000 2.353 118 H HA -0.187 4.369 4.556 -0.000 0.000 0.300 118 H C 1.845 177.153 175.328 -0.034 0.000 1.090 118 H CA 2.214 58.184 56.048 -0.130 0.000 1.327 118 H CB -0.407 29.238 29.762 -0.196 0.000 1.383 118 H HN 0.350 nan 8.280 nan 0.000 0.508 119 F N -0.210 119.598 119.950 -0.236 0.000 2.216 119 F HA -0.108 4.419 4.527 -0.000 0.000 0.300 119 F C 2.685 178.404 175.800 -0.136 0.000 1.085 119 F CA 0.874 58.784 58.000 -0.149 0.000 1.326 119 F CB -0.995 37.976 39.000 -0.048 0.000 1.027 119 F HN 0.105 nan 8.300 nan 0.000 0.497 120 V N 0.051 119.939 119.914 -0.043 0.000 2.379 120 V HA -0.271 3.849 4.120 -0.000 0.000 0.245 120 V C 1.957 177.988 176.094 -0.106 0.000 1.044 120 V CA 1.836 64.098 62.300 -0.064 0.000 1.036 120 V CB -0.814 30.899 31.823 -0.183 0.000 0.664 120 V HN 0.358 nan 8.190 nan 0.000 0.453 121 N N -0.358 118.193 118.700 -0.248 0.000 2.104 121 N HA -0.187 4.553 4.740 -0.000 0.000 0.190 121 N C 1.835 177.190 175.510 -0.258 0.000 1.024 121 N CA 1.806 54.578 53.050 -0.463 0.000 0.853 121 N CB -0.186 37.633 38.487 -1.113 0.000 1.008 121 N HN 0.418 nan 8.380 nan 0.000 0.424 122 T N 0.596 115.047 114.554 -0.171 0.000 2.674 122 T HA -0.099 4.251 4.350 -0.000 0.000 0.265 122 T C 2.061 176.728 174.700 -0.056 0.000 1.039 122 T CA 1.215 63.289 62.100 -0.044 0.000 1.150 122 T CB -0.352 68.466 68.868 -0.084 0.000 0.864 122 T HN 0.330 nan 8.240 nan 0.000 0.427 123 A N 1.967 124.761 122.820 -0.043 0.000 1.908 123 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 123 A C 2.273 179.846 177.584 -0.019 0.000 1.181 123 A CA 1.466 53.448 52.037 -0.092 0.000 0.627 123 A CB -0.360 18.558 19.000 -0.137 0.000 0.818 123 A HN 0.306 nan 8.150 nan 0.000 0.445 124 K N -0.642 119.750 120.400 -0.013 0.000 2.148 124 K HA -0.143 4.177 4.320 -0.000 0.000 0.204 124 K C 2.146 178.724 176.600 -0.036 0.000 1.050 124 K CA 1.435 57.703 56.287 -0.031 0.000 0.942 124 K CB -0.233 32.216 32.500 -0.086 0.000 0.724 124 K HN 0.769 nan 8.250 nan 0.000 0.446 125 Q N -0.053 119.742 119.800 -0.008 0.000 2.187 125 Q HA -0.078 4.262 4.340 -0.000 0.000 0.199 125 Q C 0.680 176.668 176.000 -0.019 0.000 0.957 125 Q CA 1.297 57.106 55.803 0.010 0.000 0.857 125 Q CB 0.241 29.041 28.738 0.104 0.000 0.929 125 Q HN 0.443 nan 8.270 nan 0.000 0.453 126 G N -0.643 108.137 108.800 -0.032 0.000 2.157 126 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.239 126 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.239 126 G C -0.046 174.812 174.900 -0.070 0.000 0.982 126 G CA 0.177 45.249 45.100 -0.046 0.000 0.650 126 G HN 0.831 nan 8.290 nan 0.000 0.527 127 A N -1.276 121.500 122.820 -0.073 0.000 2.586 127 A HA 0.784 5.104 4.320 -0.000 0.000 0.291 127 A C -3.155 174.396 177.584 -0.056 0.000 1.062 127 A CA -0.733 51.253 52.037 -0.085 0.000 0.666 127 A CB 0.655 19.616 19.000 -0.065 0.000 1.281 127 A HN 0.155 nan 8.150 nan 0.000 0.421 128 P HA 0.109 nan 4.420 nan 0.000 0.256 128 P C -0.315 177.054 177.300 0.115 0.000 1.173 128 P CA 0.543 63.657 63.100 0.025 0.000 0.768 128 P CB -0.213 31.501 31.700 0.022 0.000 0.758 129 F N 5.939 125.898 119.950 0.015 0.000 2.548 129 F HA -0.101 4.426 4.527 -0.000 0.000 0.403 129 F C 1.173 176.991 175.800 0.030 0.000 1.004 129 F CA 0.418 58.436 58.000 0.030 0.000 1.177 129 F CB -0.488 38.568 39.000 0.093 0.000 0.974 129 F HN 0.285 nan 8.300 nan 0.000 0.541 130 L N 3.409 124.301 121.223 -0.551 0.000 3.976 130 L HA -0.328 4.012 4.340 -0.000 0.000 0.418 130 L C 0.690 177.408 176.870 -0.253 0.000 1.177 130 L CA 0.562 55.075 54.840 -0.544 0.000 0.968 130 L CB -2.433 39.132 42.059 -0.824 0.000 1.933 130 L HN 0.728 nan 8.230 nan 0.000 0.976 131 S N -1.897 113.722 115.700 -0.134 0.000 2.632 131 S HA 0.622 5.092 4.470 -0.000 0.000 0.267 131 S C 0.214 174.766 174.600 -0.080 0.000 1.276 131 S CA 0.057 58.214 58.200 -0.071 0.000 0.998 131 S CB 2.506 65.690 63.200 -0.025 0.000 0.953 131 S HN 0.299 nan 8.310 nan 0.000 0.547 135 T N -1.040 113.506 114.554 -0.014 0.000 2.838 135 T HA 0.522 4.872 4.350 -0.000 0.000 0.292 135 T C 0.173 174.873 174.700 0.000 0.000 1.113 135 T CA 0.128 62.217 62.100 -0.019 0.000 1.008 135 T CB 2.088 70.928 68.868 -0.046 0.000 1.259 135 T HN 0.772 nan 8.240 nan 0.000 0.520 136 D N -0.165 120.234 120.400 -0.001 0.000 2.340 136 D HA 0.063 4.703 4.640 -0.000 0.000 0.220 136 D C 0.741 177.056 176.300 0.024 0.000 1.039 136 D CA -0.143 53.863 54.000 0.009 0.000 0.866 136 D CB -0.406 40.396 40.800 0.004 0.000 0.913 136 D HN 0.404 nan 8.370 nan 0.000 0.523 137 S N 2.076 117.797 115.700 0.035 0.000 2.596 137 S HA 0.039 4.509 4.470 -0.000 0.000 0.298 137 S C -0.974 173.679 174.600 0.088 0.000 1.255 137 S CA -0.882 57.364 58.200 0.076 0.000 1.083 137 S CB 0.898 64.177 63.200 0.131 0.000 0.837 137 S HN 0.111 nan 8.310 nan 0.000 0.499 138 P HA 0.023 nan 4.420 nan 0.000 0.222 138 P C 0.197 177.520 177.300 0.038 0.000 1.153 138 P CA 0.391 63.516 63.100 0.042 0.000 0.798 138 P CB -0.040 31.677 31.700 0.028 0.000 0.796 139 I N 1.287 121.896 120.570 0.065 0.000 2.648 139 I HA -0.029 4.141 4.170 -0.000 0.000 0.284 139 I C 1.380 177.464 176.117 -0.055 0.000 1.153 139 I CA 0.277 61.563 61.300 -0.024 0.000 1.426 139 I CB 0.138 38.116 38.000 -0.036 0.000 1.381 139 I HN -0.250 nan 8.210 nan 0.000 0.571 140 K N 6.660 126.973 120.400 -0.144 0.000 3.245 140 K HA 0.046 4.366 4.320 -0.000 0.000 0.285 140 K C -0.714 175.810 176.600 -0.126 0.000 1.156 140 K CA 0.058 56.284 56.287 -0.102 0.000 1.162 140 K CB -0.692 31.759 32.500 -0.082 0.000 1.365 140 K HN 0.377 nan 8.250 nan 0.000 0.316 141 Y N 0.534 120.823 120.300 -0.020 0.000 2.281 141 Y HA 0.328 4.878 4.550 -0.000 0.000 0.337 141 Y C 1.531 177.417 175.900 -0.023 0.000 1.304 141 Y CA 0.580 58.665 58.100 -0.025 0.000 1.465 141 Y CB 0.947 39.391 38.460 -0.028 0.000 1.350 141 Y HN 0.459 nan 8.280 nan 0.000 0.575 142 G N 0.142 109.032 108.800 0.150 0.000 2.339 142 G HA2 -0.033 3.927 3.960 -0.000 0.000 0.275 142 G HA3 -0.033 3.927 3.960 -0.000 0.000 0.275 142 G C -1.727 173.194 174.900 0.036 0.000 1.323 142 G CA -0.858 44.284 45.100 0.070 0.000 0.927 142 G HN 0.526 nan 8.290 nan 0.000 0.486 143 D N 0.804 121.215 120.400 0.019 0.000 2.551 143 D HA 0.441 5.081 4.640 -0.000 0.000 0.223 143 D C 0.956 177.261 176.300 0.009 0.000 1.144 143 D CA 0.008 54.013 54.000 0.009 0.000 1.025 143 D CB 0.094 40.900 40.800 0.009 0.000 1.085 143 D HN 0.380 nan 8.370 nan 0.000 0.506 147 V N 0.051 119.981 119.914 0.027 0.000 2.255 147 V HA -0.090 4.030 4.120 -0.000 0.000 0.247 147 V C 0.764 176.957 176.094 0.166 0.000 1.051 147 V CA 1.480 63.808 62.300 0.047 0.000 1.018 147 V CB -0.092 31.638 31.823 -0.154 0.000 0.641 147 V HN 0.292 nan 8.190 nan 0.000 0.445 148 I N 0.519 121.134 120.570 0.075 0.000 2.410 148 I HA 0.535 4.705 4.170 -0.000 0.000 0.286 148 I C -0.776 175.370 176.117 0.050 0.000 1.009 148 I CA -0.405 60.947 61.300 0.086 0.000 1.111 148 I CB 1.398 39.419 38.000 0.035 0.000 1.262 148 I HN 0.232 nan 8.210 nan 0.000 0.443 149 D N 5.021 125.455 120.400 0.058 0.000 2.655 149 D HA 0.864 5.504 4.640 -0.000 0.000 0.229 149 D C -1.678 174.659 176.300 0.062 0.000 1.229 149 D CA -0.492 53.540 54.000 0.052 0.000 0.807 149 D CB 2.135 42.969 40.800 0.058 0.000 1.514 149 D HN 0.680 nan 8.370 nan 0.000 0.444 150 A N 2.346 125.205 122.820 0.065 0.000 2.547 150 A HA 0.573 4.893 4.320 -0.000 0.000 0.298 150 A C -2.829 174.825 177.584 0.118 0.000 1.062 150 A CA -1.137 50.959 52.037 0.099 0.000 0.748 150 A CB 1.305 20.344 19.000 0.066 0.000 1.288 150 A HN 0.429 nan 8.150 nan 0.000 0.396 151 P HA 0.284 nan 4.420 nan 0.000 0.267 151 P C 1.037 178.460 177.300 0.205 0.000 1.205 151 P CA 0.549 63.738 63.100 0.149 0.000 0.765 151 P CB 1.297 33.069 31.700 0.119 0.000 0.828 152 A N 3.879 126.778 122.820 0.132 0.000 1.986 152 A HA -0.070 4.250 4.320 -0.000 0.000 0.220 152 A C 1.136 178.835 177.584 0.192 0.000 1.171 152 A CA 1.984 54.096 52.037 0.124 0.000 0.640 152 A CB -0.973 18.072 19.000 0.074 0.000 0.811 152 A HN 0.744 nan 8.150 nan 0.000 0.451 153 T N -4.050 110.604 114.554 0.166 0.000 2.868 153 T HA 0.661 5.011 4.350 -0.000 0.000 0.306 153 T C -0.885 173.820 174.700 0.007 0.000 1.224 153 T CA -0.621 61.552 62.100 0.122 0.000 1.012 153 T CB 1.443 70.343 68.868 0.053 0.000 1.221 153 T HN 0.196 nan 8.240 nan 0.000 0.499 154 I N 1.929 122.421 120.570 -0.129 0.000 2.466 154 I HA 0.555 4.725 4.170 -0.000 0.000 0.279 154 I C 0.773 176.796 176.117 -0.157 0.000 1.033 154 I CA -1.078 60.096 61.300 -0.210 0.000 1.123 154 I CB 1.251 38.987 38.000 -0.440 0.000 1.237 154 I HN 1.045 nan 8.210 nan 0.000 0.460 155 A N 4.614 127.377 122.820 -0.095 0.000 2.429 155 A HA 0.626 4.946 4.320 -0.000 0.000 0.242 155 A C 0.744 178.284 177.584 -0.074 0.000 1.088 155 A CA -0.128 51.868 52.037 -0.069 0.000 0.784 155 A CB 0.325 19.300 19.000 -0.042 0.000 1.038 155 A HN 0.828 nan 8.150 nan 0.000 0.501 156 A N -0.170 122.623 122.820 -0.045 0.000 2.548 156 A HA 0.465 4.785 4.320 -0.000 0.000 0.247 156 A C 1.650 179.216 177.584 -0.030 0.000 1.067 156 A CA 0.915 52.942 52.037 -0.016 0.000 0.757 156 A CB -1.057 17.965 19.000 0.036 0.000 0.996 156 A HN 2.755 nan 8.150 nan 0.000 0.504 157 G N 0.910 109.685 108.800 -0.042 0.000 2.225 157 G HA2 0.120 4.080 3.960 -0.000 0.000 0.254 157 G HA3 0.120 4.080 3.960 -0.000 0.000 0.254 157 G C 0.616 175.482 174.900 -0.058 0.000 0.988 157 G CA 0.604 45.675 45.100 -0.047 0.000 0.625 157 G HN 2.169 nan 8.290 nan 0.000 0.527 158 A N -0.488 122.289 122.820 -0.072 0.000 2.271 158 A HA 0.825 5.145 4.320 -0.000 0.000 0.288 158 A C 0.280 177.807 177.584 -0.095 0.000 1.094 158 A CA 0.786 52.779 52.037 -0.073 0.000 0.828 158 A CB 0.967 19.925 19.000 -0.070 0.000 1.091 158 A HN 0.730 nan 8.150 nan 0.000 0.493 159 T N 0.459 114.968 114.554 -0.075 0.000 2.840 159 T HA 0.606 4.956 4.350 -0.000 0.000 0.287 159 T C 0.128 174.795 174.700 -0.055 0.000 0.991 159 T CA 0.080 62.137 62.100 -0.072 0.000 0.964 159 T CB 1.436 70.278 68.868 -0.044 0.000 0.954 159 T HN 1.059 nan 8.240 nan 0.000 0.438 160 G N 1.971 110.733 108.800 -0.064 0.000 2.432 160 G HA2 0.682 4.642 3.960 -0.000 0.000 0.331 160 G HA3 0.682 4.642 3.960 -0.000 0.000 0.331 160 G C -1.043 173.877 174.900 0.034 0.000 1.170 160 G CA -0.689 44.402 45.100 -0.015 0.000 0.943 160 G HN 0.632 nan 8.290 nan 0.000 0.483 161 E N 0.296 120.531 120.200 0.057 0.000 2.183 161 E HA 0.513 4.863 4.350 -0.000 0.000 0.271 161 E C -0.502 176.158 176.600 0.101 0.000 0.919 161 E CA -0.479 55.965 56.400 0.074 0.000 0.781 161 E CB 2.356 32.087 29.700 0.052 0.000 1.140 161 E HN 0.300 nan 8.360 nan 0.000 0.402 162 L N 0.946 122.241 121.223 0.119 0.000 2.323 162 L HA 0.711 5.051 4.340 -0.000 0.000 0.265 162 L C -0.038 176.891 176.870 0.098 0.000 1.012 162 L CA -0.878 54.036 54.840 0.123 0.000 0.820 162 L CB 2.032 44.190 42.059 0.164 0.000 1.334 162 L HN 0.515 nan 8.230 nan 0.000 0.427 166 Y N 1.638 122.237 120.300 0.499 0.000 2.512 166 Y HA 0.433 4.983 4.550 -0.000 0.000 0.348 166 Y C -1.001 175.143 175.900 0.406 0.000 0.990 166 Y CA -1.372 56.934 58.100 0.343 0.000 1.033 166 Y CB 2.343 40.879 38.460 0.127 0.000 1.259 166 Y HN 0.659 nan 8.280 nan 0.000 0.461 167 W N 4.824 126.238 121.300 0.190 0.000 2.411 167 W HA 0.658 5.318 4.660 -0.000 0.000 0.317 167 W C -1.939 174.615 176.519 0.058 0.000 1.030 167 W CA -1.032 56.402 57.345 0.147 0.000 1.239 167 W CB 1.492 30.998 29.460 0.076 0.000 1.304 167 W HN 0.307 nan 8.180 nan 0.000 0.437 168 V N 9.307 128.972 119.914 -0.414 0.000 2.334 168 V HA 0.191 4.311 4.120 -0.000 0.000 0.267 168 V C -1.611 174.042 176.094 -0.735 0.000 1.040 168 V CA -1.498 60.567 62.300 -0.392 0.000 0.866 168 V CB 0.875 32.578 31.823 -0.199 0.000 1.019 168 V HN 0.343 nan 8.190 nan 0.000 0.468 169 P HA 0.395 nan 4.420 nan 0.000 0.286 169 P C 0.070 177.293 177.300 -0.128 0.000 1.261 169 P CA -0.327 62.634 63.100 -0.232 0.000 0.821 169 P CB 2.563 34.445 31.700 0.303 0.000 1.013 170 L N 1.385 122.563 121.223 -0.074 0.000 2.675 170 L HA 0.317 4.657 4.340 -0.000 0.000 0.178 170 L C 1.394 178.401 176.870 0.228 0.000 1.135 170 L CA 0.157 54.965 54.840 -0.054 0.000 0.855 170 L CB -0.740 41.153 42.059 -0.276 0.000 1.235 170 L HN 0.338 nan 8.230 nan 0.000 0.499 171 A N -1.017 121.909 122.820 0.177 0.000 2.386 171 A HA 0.010 4.330 4.320 -0.000 0.000 0.248 171 A C 0.530 178.274 177.584 0.267 0.000 1.082 171 A CA -0.025 52.138 52.037 0.210 0.000 0.789 171 A CB 0.035 19.124 19.000 0.148 0.000 1.025 171 A HN 0.344 nan 8.150 nan 0.000 0.490 172 Y N 1.989 122.285 120.300 -0.007 0.000 2.181 172 Y HA -0.024 4.526 4.550 -0.000 0.000 0.288 172 Y C 1.264 177.131 175.900 -0.054 0.000 1.146 172 Y CA 1.746 59.681 58.100 -0.275 0.000 1.164 172 Y CB -0.016 38.325 38.460 -0.199 0.000 0.982 172 Y HN 0.897 nan 8.280 nan 0.000 0.515 173 S N -2.597 113.090 115.700 -0.021 0.000 2.757 173 S HA 0.251 4.721 4.470 -0.000 0.000 0.285 173 S C 0.441 175.042 174.600 0.001 0.000 1.196 173 S CA -0.588 57.558 58.200 -0.090 0.000 0.856 173 S CB 1.008 64.116 63.200 -0.154 0.000 1.212 173 S HN 0.065 nan 8.310 nan 0.000 0.516 174 E N 1.234 121.407 120.200 -0.045 0.000 2.150 174 E HA -0.040 4.310 4.350 -0.000 0.000 0.193 174 E C 1.718 178.315 176.600 -0.004 0.000 0.985 174 E CA 2.038 58.418 56.400 -0.033 0.000 0.814 174 E CB -0.431 29.222 29.700 -0.078 0.000 0.752 174 E HN 0.854 nan 8.360 nan 0.000 0.466 175 T N -2.232 112.325 114.554 0.006 0.000 3.054 175 T HA 0.089 4.439 4.350 -0.000 0.000 0.255 175 T C 0.216 174.940 174.700 0.041 0.000 1.035 175 T CA -0.386 61.725 62.100 0.018 0.000 0.941 175 T CB 0.428 69.302 68.868 0.010 0.000 1.026 175 T HN -0.220 nan 8.240 nan 0.000 0.533 176 D N 1.159 121.603 120.400 0.073 0.000 2.462 176 D HA 0.306 4.946 4.640 -0.000 0.000 0.245 176 D C 0.578 176.929 176.300 0.085 0.000 1.122 176 D CA -0.632 53.422 54.000 0.090 0.000 0.864 176 D CB 1.131 42.050 40.800 0.197 0.000 1.098 176 D HN 0.205 nan 8.370 nan 0.000 0.541 177 L N 2.419 123.666 121.223 0.040 0.000 2.627 177 L HA 0.101 4.441 4.340 -0.000 0.000 0.232 177 L C 0.761 177.642 176.870 0.019 0.000 1.150 177 L CA 0.170 55.037 54.840 0.044 0.000 0.917 177 L CB -0.251 41.830 42.059 0.036 0.000 1.104 177 L HN 0.242 nan 8.230 nan 0.000 0.445 178 T N 0.755 115.283 114.554 -0.042 0.000 2.867 178 T HA 0.257 4.607 4.350 -0.000 0.000 0.297 178 T C 1.246 175.942 174.700 -0.006 0.000 0.989 178 T CA 1.023 63.023 62.100 -0.166 0.000 1.159 178 T CB 0.958 69.508 68.868 -0.530 0.000 0.928 178 T HN 0.621 nan 8.240 nan 0.000 0.538 179 G N 2.093 110.923 108.800 0.051 0.000 2.213 179 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.236 179 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.236 179 G C 0.390 175.414 174.900 0.207 0.000 0.991 179 G CA -0.031 45.206 45.100 0.228 0.000 0.629 179 G HN 1.151 nan 8.290 nan 0.000 0.517 180 A N -0.473 122.421 122.820 0.123 0.000 2.429 180 A HA 0.622 4.942 4.320 -0.000 0.000 0.242 180 A C 0.384 178.015 177.584 0.078 0.000 1.088 180 A CA 0.872 52.956 52.037 0.077 0.000 0.784 180 A CB 0.815 19.853 19.000 0.064 0.000 1.038 180 A HN 1.217 nan 8.150 nan 0.000 0.501 181 V N 1.820 121.755 119.914 0.034 0.000 2.444 181 V HA 0.273 4.393 4.120 -0.000 0.000 0.294 181 V C -0.537 175.587 176.094 0.049 0.000 1.022 181 V CA -0.503 61.831 62.300 0.057 0.000 0.850 181 V CB 1.377 33.225 31.823 0.042 0.000 0.992 181 V HN 0.771 nan 8.190 nan 0.000 0.426 182 L N 5.579 126.834 121.223 0.053 0.000 2.385 182 L HA 0.596 4.936 4.340 -0.000 0.000 0.281 182 L C 0.646 177.528 176.870 0.019 0.000 1.106 182 L CA 0.241 55.098 54.840 0.028 0.000 0.856 182 L CB 0.642 42.711 42.059 0.017 0.000 1.186 182 L HN 0.746 nan 8.230 nan 0.000 0.453 183 A N 4.859 127.680 122.820 0.002 0.000 2.582 183 A HA 0.545 4.865 4.320 -0.000 0.000 0.336 183 A C 0.353 177.915 177.584 -0.037 0.000 1.445 183 A CA -0.396 51.636 52.037 -0.009 0.000 0.997 183 A CB -0.338 18.650 19.000 -0.020 0.000 1.148 183 A HN 0.847 nan 8.150 nan 0.000 0.514 184 N N 0.642 119.321 118.700 -0.035 0.000 1.893 184 N HA 0.012 4.752 4.740 -0.000 0.000 0.232 184 N C -0.294 175.194 175.510 -0.036 0.000 1.392 184 N CA 0.086 53.106 53.050 -0.050 0.000 0.801 184 N CB 0.596 39.031 38.487 -0.085 0.000 1.084 184 N HN 0.311 nan 8.380 nan 0.000 0.479 185 V N 4.810 124.710 119.914 -0.023 0.000 2.539 185 V HA -0.010 4.110 4.120 -0.000 0.000 0.294 185 V C -1.922 174.164 176.094 -0.015 0.000 0.994 185 V CA -0.156 62.136 62.300 -0.014 0.000 1.169 185 V CB -0.475 31.348 31.823 0.000 0.000 0.898 185 V HN 0.033 nan 8.190 nan 0.000 0.471 186 P HA 0.300 nan 4.420 nan 0.000 0.270 186 P C 0.501 177.793 177.300 -0.015 0.000 1.227 186 P CA 1.015 64.106 63.100 -0.015 0.000 0.788 186 P CB 0.206 31.898 31.700 -0.014 0.000 0.926 187 Q N -0.534 119.256 119.800 -0.017 0.000 2.457 187 Q HA -0.248 4.091 4.340 -0.000 0.000 0.283 187 Q C 0.537 176.523 176.000 -0.022 0.000 1.234 187 Q CA 1.252 57.043 55.803 -0.020 0.000 0.877 187 Q CB -3.043 25.684 28.738 -0.018 0.000 1.250 187 Q HN 0.523 nan 8.270 nan 0.000 0.481 188 S N -0.285 115.402 115.700 -0.021 0.000 2.515 188 S HA 0.315 4.785 4.470 -0.000 0.000 0.285 188 S C 0.699 175.277 174.600 -0.036 0.000 1.265 188 S CA 0.376 58.564 58.200 -0.020 0.000 1.079 188 S CB 0.395 63.587 63.200 -0.013 0.000 0.877 188 S HN 0.609 nan 8.310 nan 0.000 0.493 189 K N 3.757 124.131 120.400 -0.044 0.000 2.684 189 K HA 0.109 4.429 4.320 -0.000 0.000 0.215 189 K C 0.396 176.934 176.600 -0.104 0.000 1.073 189 K CA -0.133 56.107 56.287 -0.079 0.000 1.197 189 K CB 0.180 32.631 32.500 -0.082 0.000 0.955 189 K HN 0.648 nan 8.250 nan 0.000 0.473 190 Q N 2.842 122.591 119.800 -0.084 0.000 2.286 190 Q HA 0.046 4.386 4.340 -0.000 0.000 0.267 190 Q C -0.698 175.214 176.000 -0.147 0.000 1.028 190 Q CA -0.099 55.629 55.803 -0.124 0.000 0.901 190 Q CB 0.509 29.239 28.738 -0.013 0.000 1.183 190 Q HN 0.287 nan 8.270 nan 0.000 0.392 191 R N 3.114 123.464 120.500 -0.251 0.000 2.566 191 R HA 0.453 4.793 4.340 -0.000 0.000 0.271 191 R C -1.968 174.206 176.300 -0.210 0.000 1.071 191 R CA -1.037 54.948 56.100 -0.192 0.000 0.915 191 R CB 0.681 30.881 30.300 -0.167 0.000 1.228 191 R HN 0.499 nan 8.270 nan 0.000 0.449 192 L N 2.371 123.476 121.223 -0.196 0.000 2.276 192 L HA 0.452 4.792 4.340 -0.000 0.000 0.286 192 L C -0.941 175.831 176.870 -0.163 0.000 1.024 192 L CA -0.230 54.486 54.840 -0.208 0.000 0.826 192 L CB 1.152 42.930 42.059 -0.469 0.000 1.211 192 L HN 0.607 nan 8.230 nan 0.000 0.422 193 K N 6.366 126.700 120.400 -0.111 0.000 2.183 193 K HA 0.664 4.984 4.320 -0.000 0.000 0.274 193 K C -1.309 175.179 176.600 -0.187 0.000 1.009 193 K CA -0.476 55.746 56.287 -0.109 0.000 0.888 193 K CB 1.552 34.030 32.500 -0.038 0.000 1.078 193 K HN 0.531 nan 8.250 nan 0.000 0.459 194 L N 2.132 123.225 121.223 -0.216 0.000 2.410 194 L HA 0.371 4.711 4.340 -0.000 0.000 0.270 194 L C -0.599 176.079 176.870 -0.320 0.000 0.983 194 L CA -0.669 53.934 54.840 -0.395 0.000 0.822 194 L CB 2.092 43.781 42.059 -0.617 0.000 1.285 194 L HN 0.674 nan 8.230 nan 0.000 0.409 195 E N 3.052 123.030 120.200 -0.371 0.000 2.129 195 E HA 0.473 4.823 4.350 -0.000 0.000 0.268 195 E C -1.336 175.116 176.600 -0.246 0.000 0.900 195 E CA -0.580 55.710 56.400 -0.184 0.000 0.755 195 E CB 1.029 30.658 29.700 -0.117 0.000 1.117 195 E HN 0.303 nan 8.360 nan 0.000 0.410 196 F N 1.943 121.910 119.950 0.029 0.000 2.380 196 F HA 0.501 5.028 4.527 -0.000 0.000 0.319 196 F C 1.037 176.863 175.800 0.043 0.000 1.113 196 F CA -0.535 57.506 58.000 0.067 0.000 1.056 196 F CB 0.804 39.940 39.000 0.226 0.000 1.289 196 F HN 0.519 nan 8.300 nan 0.000 0.515 197 A N 1.370 124.330 122.820 0.233 0.000 2.406 197 A HA 0.455 4.775 4.320 -0.000 0.000 0.243 197 A C -0.333 177.284 177.584 0.055 0.000 1.082 197 A CA -0.240 51.887 52.037 0.150 0.000 0.786 197 A CB -0.153 18.986 19.000 0.231 0.000 1.029 197 A HN 0.885 nan 8.150 nan 0.000 0.495 198 N N -0.649 118.141 118.700 0.150 0.000 3.102 198 N HA 0.251 4.991 4.740 -0.000 0.000 0.299 198 N C -0.096 175.628 175.510 0.357 0.000 1.482 198 N CA -0.849 52.313 53.050 0.187 0.000 0.785 198 N CB 0.369 38.950 38.487 0.155 0.000 1.680 198 N HN 0.299 nan 8.380 nan 0.000 0.594 199 N N -0.501 118.444 118.700 0.409 0.000 2.519 199 N HA -0.067 4.673 4.740 -0.000 0.000 0.186 199 N C 0.038 175.741 175.510 0.321 0.000 1.062 199 N CA 0.751 54.077 53.050 0.461 0.000 0.910 199 N CB -0.550 38.182 38.487 0.409 0.000 0.958 199 N HN 0.584 nan 8.380 nan 0.000 0.445 200 N N -0.913 117.913 118.700 0.210 0.000 2.432 200 N HA -0.039 4.701 4.740 -0.000 0.000 0.174 200 N C 1.682 177.260 175.510 0.112 0.000 1.037 200 N CA 1.015 54.160 53.050 0.157 0.000 0.892 200 N CB 0.252 38.813 38.487 0.124 0.000 1.049 200 N HN 0.252 nan 8.380 nan 0.000 0.442 201 T N -2.173 112.431 114.554 0.084 0.000 3.039 201 T HA 0.281 4.631 4.350 -0.000 0.000 0.250 201 T C 1.948 176.622 174.700 -0.042 0.000 1.052 201 T CA 0.331 62.461 62.100 0.049 0.000 1.125 201 T CB -0.048 68.866 68.868 0.076 0.000 0.908 201 T HN 0.065 nan 8.240 nan 0.000 0.473 202 A N 0.913 123.612 122.820 -0.202 0.000 2.067 202 A HA 0.347 4.666 4.320 -0.000 0.000 0.219 202 A C 0.234 177.379 177.584 -0.732 0.000 1.158 202 A CA 0.361 52.060 52.037 -0.564 0.000 0.661 202 A CB -0.641 17.797 19.000 -0.935 0.000 0.801 202 A HN 0.561 nan 8.150 nan 0.000 0.452 203 F N -1.081 118.934 119.950 0.109 0.000 2.493 203 F HA 0.674 5.201 4.527 0.000 0.000 0.329 203 F C 0.203 176.040 175.800 0.061 0.000 1.126 203 F CA -1.342 56.705 58.000 0.077 0.000 0.937 203 F CB 1.516 40.542 39.000 0.044 0.000 1.146 203 F HN 0.068 nan 8.300 nan 0.000 0.442 204 A N 1.940 124.883 122.820 0.204 0.000 2.318 204 A HA 0.875 5.195 4.320 -0.000 0.000 0.324 204 A C -0.201 177.442 177.584 0.098 0.000 1.170 204 A CA -0.593 51.515 52.037 0.119 0.000 0.810 204 A CB 0.674 19.712 19.000 0.064 0.000 1.198 204 A HN 0.989 nan 8.150 nan 0.000 0.484 205 A N 1.626 124.490 122.820 0.074 0.000 2.366 205 A HA 0.526 4.846 4.320 -0.000 0.000 0.249 205 A C 0.406 178.007 177.584 0.029 0.000 1.084 205 A CA -0.305 51.759 52.037 0.045 0.000 0.794 205 A CB -0.028 18.997 19.000 0.042 0.000 1.034 205 A HN 1.253 nan 8.150 nan 0.000 0.491 206 V N 1.349 121.270 119.914 0.011 0.000 2.617 206 V HA 0.354 4.474 4.120 -0.000 0.000 0.304 206 V C 1.697 177.796 176.094 0.009 0.000 1.040 206 V CA 1.790 64.094 62.300 0.005 0.000 1.149 206 V CB -0.166 31.653 31.823 -0.006 0.000 0.914 206 V HN 1.975 nan 8.190 nan 0.000 0.487 207 G N 3.179 111.984 108.800 0.008 0.000 2.225 207 G HA2 -0.139 3.821 3.960 -0.000 0.000 0.254 207 G HA3 -0.139 3.821 3.960 -0.000 0.000 0.254 207 G C 0.439 175.345 174.900 0.010 0.000 0.988 207 G CA 0.304 45.407 45.100 0.005 0.000 0.625 207 G HN 1.503 nan 8.290 nan 0.000 0.527 208 A N -0.200 122.632 122.820 0.020 0.000 2.272 208 A HA 0.645 4.965 4.320 -0.000 0.000 0.275 208 A C 0.542 178.145 177.584 0.032 0.000 1.096 208 A CA 0.180 52.233 52.037 0.027 0.000 0.822 208 A CB 0.315 19.337 19.000 0.038 0.000 1.088 208 A HN 0.528 nan 8.150 nan 0.000 0.495 209 N N 0.810 119.534 118.700 0.039 0.000 2.442 209 N HA 0.175 4.915 4.740 -0.000 0.000 0.265 209 N C -1.749 173.788 175.510 0.045 0.000 1.138 209 N CA -1.490 51.598 53.050 0.064 0.000 0.956 209 N CB 1.076 39.604 38.487 0.068 0.000 1.067 209 N HN 0.334 nan 8.380 nan 0.000 0.474 210 P HA -0.020 nan 4.420 nan 0.000 0.255 210 P C 1.569 178.704 177.300 -0.275 0.000 1.248 210 P CA -0.095 62.940 63.100 -0.109 0.000 0.807 210 P CB 0.528 32.140 31.700 -0.147 0.000 1.150 211 L N 1.748 122.826 121.223 -0.243 0.000 1.991 211 L HA -0.211 4.129 4.340 -0.000 0.000 0.221 211 L C 1.932 178.624 176.870 -0.296 0.000 1.079 211 L CA 2.253 56.840 54.840 -0.421 0.000 0.778 211 L CB -0.988 41.066 42.059 -0.009 0.000 0.893 211 L HN -0.099 nan 8.230 nan 0.000 0.437 212 E N 0.083 120.258 120.200 -0.042 0.000 2.478 212 E HA 0.216 4.566 4.350 -0.000 0.000 0.194 212 E C 0.851 177.477 176.600 0.044 0.000 1.045 212 E CA 0.587 57.038 56.400 0.085 0.000 0.868 212 E CB -0.218 29.563 29.700 0.136 0.000 0.885 212 E HN 0.592 nan 8.360 nan 0.000 0.505 213 A N 0.973 123.773 122.820 -0.033 0.000 2.287 213 A HA 0.423 4.743 4.320 -0.000 0.000 0.273 213 A C 1.145 178.691 177.584 -0.064 0.000 1.091 213 A CA -0.354 51.658 52.037 -0.042 0.000 0.817 213 A CB 0.437 19.422 19.000 -0.025 0.000 1.069 213 A HN 0.057 nan 8.150 nan 0.000 0.492 214 I N -1.615 118.907 120.570 -0.080 0.000 3.172 214 I HA 0.134 4.304 4.170 -0.000 0.000 0.278 214 I C -0.436 175.488 176.117 -0.321 0.000 1.174 214 I CA 0.593 61.802 61.300 -0.152 0.000 1.445 214 I CB 0.050 38.002 38.000 -0.080 0.000 1.175 214 I HN 0.581 nan 8.210 nan 0.000 0.447 215 Y N 0.341 120.682 120.300 0.069 0.000 2.512 215 Y HA 0.577 5.127 4.550 -0.000 0.000 0.348 215 Y C -0.295 175.670 175.900 0.109 0.000 0.990 215 Y CA -0.821 57.349 58.100 0.117 0.000 1.033 215 Y CB 1.740 40.324 38.460 0.206 0.000 1.259 215 Y HN -0.083 nan 8.280 nan 0.000 0.461 216 Q N 1.209 121.145 119.800 0.227 0.000 2.345 216 Q HA 0.757 5.097 4.340 -0.000 0.000 0.275 216 Q C -0.991 175.063 176.000 0.090 0.000 1.063 216 Q CA -0.620 55.260 55.803 0.128 0.000 0.819 216 Q CB 2.709 31.479 28.738 0.053 0.000 1.356 216 Q HN 0.981 nan 8.270 nan 0.000 0.418 217 G N 0.329 109.155 108.800 0.043 0.000 2.337 217 G HA2 0.358 4.318 3.960 -0.000 0.000 0.298 217 G HA3 0.358 4.318 3.960 -0.000 0.000 0.298 217 G C -0.276 174.586 174.900 -0.062 0.000 1.335 217 G CA -0.123 44.971 45.100 -0.009 0.000 0.875 217 G HN 0.707 nan 8.290 nan 0.000 0.579 218 A N -0.908 121.847 122.820 -0.109 0.000 2.070 218 A HA 0.340 4.659 4.320 -0.000 0.000 0.220 218 A C 2.132 179.496 177.584 -0.367 0.000 1.159 218 A CA 2.646 54.576 52.037 -0.178 0.000 0.656 218 A CB -0.389 18.512 19.000 -0.166 0.000 0.800 218 A HN 2.008 nan 8.150 nan 0.000 0.453 219 G N -1.763 106.799 108.800 -0.397 0.000 3.434 219 G HA2 0.385 4.345 3.960 -0.000 0.000 0.258 219 G HA3 0.385 4.345 3.960 -0.000 0.000 0.258 219 G C 1.150 175.925 174.900 -0.208 0.000 1.128 219 G CA 0.813 45.586 45.100 -0.546 0.000 0.792 219 G HN 0.571 nan 8.290 nan 0.000 0.539 220 A N 1.312 124.057 122.820 -0.126 0.000 1.908 220 A HA 0.154 4.474 4.320 -0.000 0.000 0.218 220 A C 2.753 180.313 177.584 -0.039 0.000 1.181 220 A CA 2.144 54.149 52.037 -0.053 0.000 0.627 220 A CB -0.659 18.380 19.000 0.065 0.000 0.818 220 A HN 0.815 nan 8.150 nan 0.000 0.445 221 A N -0.551 122.279 122.820 0.018 0.000 2.032 221 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 221 A C 1.302 178.898 177.584 0.021 0.000 1.165 221 A CA 1.826 53.893 52.037 0.050 0.000 0.645 221 A CB -0.350 18.694 19.000 0.073 0.000 0.807 221 A HN 0.484 nan 8.150 nan 0.000 0.453 222 D N -1.374 119.028 120.400 0.005 0.000 2.424 222 D HA 0.196 4.836 4.640 -0.000 0.000 0.220 222 D C -0.366 175.826 176.300 -0.179 0.000 1.150 222 D CA -0.078 53.898 54.000 -0.039 0.000 0.831 222 D CB -0.117 40.696 40.800 0.021 0.000 0.981 222 D HN 0.284 nan 8.370 nan 0.000 0.500 223 C N 2.063 121.136 119.300 -0.379 0.000 2.466 223 C HA 0.515 4.975 4.460 -0.000 0.000 0.379 223 C C 0.556 175.088 174.990 -0.764 0.000 1.251 223 C CA -0.482 58.057 59.018 -0.799 0.000 2.263 223 C CB 0.770 27.603 27.740 -1.511 0.000 2.511 223 C HN 0.374 nan 8.230 nan 0.000 0.573 224 E N 1.023 120.882 120.200 -0.568 0.000 2.423 224 E HA 0.414 4.764 4.350 -0.000 0.000 0.280 224 E C -1.806 174.816 176.600 0.036 0.000 1.030 224 E CA -0.646 55.719 56.400 -0.058 0.000 0.812 224 E CB 0.762 30.475 29.700 0.022 0.000 1.313 224 E HN 0.380 nan 8.360 nan 0.000 0.456 225 F N 1.424 121.524 119.950 0.249 0.000 2.410 225 F HA 0.170 4.697 4.527 0.000 0.000 0.348 225 F C 1.812 177.650 175.800 0.064 0.000 1.106 225 F CA -0.072 58.030 58.000 0.171 0.000 1.163 225 F CB 1.506 40.588 39.000 0.137 0.000 1.129 225 F HN 0.742 nan 8.300 nan 0.000 0.516 226 E N 2.114 122.437 120.200 0.205 0.000 2.076 226 E HA -0.049 4.301 4.350 -0.000 0.000 0.190 226 E C -0.422 176.226 176.600 0.081 0.000 0.979 226 E CA 0.987 57.448 56.400 0.102 0.000 0.807 226 E CB 0.400 30.131 29.700 0.052 0.000 0.761 226 E HN 0.804 nan 8.360 nan 0.000 0.454 227 E N -1.079 119.172 120.200 0.086 0.000 2.398 227 E HA 0.403 4.753 4.350 -0.000 0.000 0.280 227 E C -1.274 175.213 176.600 -0.189 0.000 1.122 227 E CA -0.620 55.726 56.400 -0.091 0.000 0.873 227 E CB 0.581 30.216 29.700 -0.108 0.000 1.294 227 E HN 0.039 nan 8.360 nan 0.000 0.435 228 I N 0.804 121.021 120.570 -0.588 0.000 2.730 228 I HA 0.684 4.854 4.170 -0.000 0.000 0.298 228 I C -0.946 174.712 176.117 -0.765 0.000 1.089 228 I CA -0.992 59.880 61.300 -0.712 0.000 1.041 228 I CB 2.251 39.572 38.000 -1.130 0.000 1.235 228 I HN 0.569 nan 8.210 nan 0.000 0.423 229 S N 3.985 119.437 115.700 -0.413 0.000 2.546 229 S HA 0.776 5.246 4.470 -0.000 0.000 0.274 229 S C -1.665 172.870 174.600 -0.109 0.000 1.121 229 S CA -0.444 57.580 58.200 -0.294 0.000 0.887 229 S CB 1.503 64.582 63.200 -0.202 0.000 1.094 229 S HN 0.502 nan 8.310 nan 0.000 0.474 230 Y N -0.160 120.053 120.300 -0.145 0.000 2.562 230 Y HA 0.818 5.368 4.550 -0.000 0.000 0.345 230 Y C -0.966 174.919 175.900 -0.025 0.000 1.045 230 Y CA -0.817 57.267 58.100 -0.028 0.000 1.028 230 Y CB 1.415 39.927 38.460 0.087 0.000 1.297 230 Y HN 0.451 nan 8.280 nan 0.000 0.463 231 T N 3.137 117.821 114.554 0.217 0.000 2.928 231 T HA 0.545 4.895 4.350 -0.000 0.000 0.296 231 T C -1.423 173.395 174.700 0.197 0.000 1.000 231 T CA -0.652 61.501 62.100 0.088 0.000 0.989 231 T CB 1.469 70.347 68.868 0.017 0.000 1.005 231 T HN 0.624 nan 8.240 nan 0.000 0.442 232 V N 4.087 124.084 119.914 0.139 0.000 2.398 232 V HA 0.494 4.614 4.120 -0.000 0.000 0.286 232 V C -1.118 175.020 176.094 0.074 0.000 1.026 232 V CA -0.795 61.621 62.300 0.193 0.000 0.868 232 V CB 0.903 32.838 31.823 0.187 0.000 0.982 232 V HN 0.806 nan 8.190 nan 0.000 0.443 233 Y N 2.824 123.305 120.300 0.302 0.000 2.377 233 Y HA 0.512 5.062 4.550 -0.000 0.000 0.339 233 Y C 0.298 176.391 175.900 0.321 0.000 1.011 233 Y CA -0.327 57.946 58.100 0.288 0.000 1.093 233 Y CB 1.718 40.345 38.460 0.278 0.000 1.201 233 Y HN 0.557 nan 8.280 nan 0.000 0.455 234 Q N 1.946 122.000 119.800 0.422 0.000 2.293 234 Q HA 0.481 4.821 4.340 -0.000 0.000 0.261 234 Q C -0.985 175.172 176.000 0.262 0.000 0.960 234 Q CA -0.599 55.364 55.803 0.266 0.000 0.882 234 Q CB 1.461 30.376 28.738 0.294 0.000 1.275 234 Q HN 0.666 nan 8.270 nan 0.000 0.445 235 S N 3.949 119.708 115.700 0.098 0.000 2.449 235 S HA 0.682 5.151 4.470 -0.000 0.000 0.310 235 S C -1.457 173.233 174.600 0.151 0.000 1.096 235 S CA -0.346 57.945 58.200 0.152 0.000 1.095 235 S CB 0.347 63.739 63.200 0.320 0.000 1.007 235 S HN 0.565 nan 8.310 nan 0.000 0.474 236 Y N 1.895 122.203 120.300 0.013 0.000 2.725 236 Y HA 0.695 5.245 4.550 -0.000 0.000 0.333 236 Y C -2.046 173.879 175.900 0.040 0.000 1.242 236 Y CA -1.548 56.555 58.100 0.004 0.000 1.059 236 Y CB 0.735 39.190 38.460 -0.008 0.000 1.306 236 Y HN 0.446 nan 8.280 nan 0.000 0.454 237 L N 2.371 123.705 121.223 0.185 0.000 2.322 237 L HA 0.509 4.849 4.340 -0.000 0.000 0.281 237 L C -0.823 176.203 176.870 0.261 0.000 1.014 237 L CA -0.560 54.349 54.840 0.115 0.000 0.815 237 L CB 1.491 43.613 42.059 0.104 0.000 1.247 237 L HN 0.704 nan 8.230 nan 0.000 0.421 238 D N 1.555 122.096 120.400 0.235 0.000 2.506 238 D HA 0.239 4.879 4.640 -0.000 0.000 0.254 238 D C -0.410 176.032 176.300 0.237 0.000 1.089 238 D CA -0.004 54.174 54.000 0.296 0.000 1.050 238 D CB 1.225 42.231 40.800 0.344 0.000 1.221 238 D HN 0.361 nan 8.370 nan 0.000 0.589 239 Q N -0.033 119.880 119.800 0.188 0.000 2.452 239 Q HA -0.176 4.164 4.340 -0.000 0.000 0.318 239 Q C -0.504 175.583 176.000 0.146 0.000 1.386 239 Q CA 0.410 56.291 55.803 0.130 0.000 0.872 239 Q CB -2.044 26.744 28.738 0.083 0.000 1.151 239 Q HN 0.441 nan 8.270 nan 0.000 0.417 240 L N 2.152 123.503 121.223 0.214 0.000 2.453 240 L HA 0.155 4.495 4.340 -0.000 0.000 0.272 240 L C -1.073 175.850 176.870 0.088 0.000 1.182 240 L CA -1.312 53.662 54.840 0.224 0.000 0.858 240 L CB -0.131 42.161 42.059 0.388 0.000 1.120 240 L HN 0.010 nan 8.230 nan 0.000 0.474 241 P HA 0.066 nan 4.420 nan 0.000 0.268 241 P C -0.884 176.306 177.300 -0.182 0.000 1.205 241 P CA -0.114 62.950 63.100 -0.059 0.000 0.771 241 P CB 1.242 32.939 31.700 -0.006 0.000 0.858 242 V N 3.271 123.022 119.914 -0.271 0.000 2.444 242 V HA 0.524 4.644 4.120 -0.000 0.000 0.294 242 V C 0.990 176.991 176.094 -0.156 0.000 1.022 242 V CA -0.333 61.764 62.300 -0.339 0.000 0.850 242 V CB 1.439 32.933 31.823 -0.548 0.000 0.992 242 V HN 0.822 nan 8.190 nan 0.000 0.426 243 G N 2.910 111.658 108.800 -0.087 0.000 2.531 243 G HA2 0.340 4.300 3.960 -0.000 0.000 0.281 243 G HA3 0.340 4.300 3.960 -0.000 0.000 0.281 243 G C 0.723 175.602 174.900 -0.035 0.000 1.382 243 G CA 0.148 45.221 45.100 -0.046 0.000 1.045 243 G HN 0.744 nan 8.290 nan 0.000 0.533 244 Q N -1.101 118.688 119.800 -0.018 0.000 2.170 244 Q HA -0.113 4.226 4.340 -0.000 0.000 0.203 244 Q C 1.566 177.565 176.000 -0.001 0.000 0.976 244 Q CA 1.587 57.384 55.803 -0.011 0.000 0.858 244 Q CB -0.180 28.555 28.738 -0.006 0.000 0.907 244 Q HN 0.624 nan 8.270 nan 0.000 0.433 245 N N 0.208 118.912 118.700 0.007 0.000 2.268 245 N HA 0.198 4.938 4.740 -0.000 0.000 0.204 245 N C -0.040 175.492 175.510 0.037 0.000 1.124 245 N CA 0.242 53.304 53.050 0.020 0.000 0.838 245 N CB 0.487 38.988 38.487 0.022 0.000 0.994 245 N HN 0.401 nan 8.380 nan 0.000 0.489 246 G N 0.161 108.978 108.800 0.027 0.000 2.396 246 G HA2 -0.238 3.722 3.960 -0.000 0.000 0.254 246 G HA3 -0.238 3.722 3.960 -0.000 0.000 0.254 246 G C -1.261 173.672 174.900 0.054 0.000 1.248 246 G CA -0.912 44.226 45.100 0.063 0.000 1.033 246 G HN 0.178 nan 8.290 nan 0.000 0.502 247 Y N 0.380 120.690 120.300 0.016 0.000 2.805 247 Y HA 0.303 4.853 4.550 -0.000 0.000 0.331 247 Y C 1.650 177.561 175.900 0.019 0.000 1.241 247 Y CA 0.677 58.789 58.100 0.020 0.000 1.546 247 Y CB 0.213 38.688 38.460 0.024 0.000 1.248 247 Y HN 0.402 nan 8.280 nan 0.000 0.559 248 I N 6.398 127.034 120.570 0.110 0.000 2.363 248 I HA 0.183 4.353 4.170 -0.000 0.000 0.292 248 I C -0.523 175.654 176.117 0.100 0.000 1.075 248 I CA 0.166 61.513 61.300 0.077 0.000 1.333 248 I CB -0.044 37.976 38.000 0.034 0.000 1.415 248 I HN 0.362 nan 8.210 nan 0.000 0.502 249 L N 8.459 129.732 121.223 0.084 0.000 2.445 249 L HA 0.492 4.832 4.340 -0.000 0.000 0.262 249 L C -2.534 174.362 176.870 0.043 0.000 0.974 249 L CA -1.881 53.002 54.840 0.072 0.000 0.822 249 L CB 2.594 44.700 42.059 0.079 0.000 1.339 249 L HN 0.346 nan 8.230 nan 0.000 0.409 250 P HA 0.183 nan 4.420 nan 0.000 0.277 250 P C 0.595 177.901 177.300 0.009 0.000 1.354 250 P CA -0.259 62.849 63.100 0.013 0.000 0.891 250 P CB 0.794 32.496 31.700 0.005 0.000 1.058 251 L N 2.986 124.214 121.223 0.008 0.000 2.131 251 L HA -0.145 4.195 4.340 -0.000 0.000 0.210 251 L C 2.412 179.278 176.870 -0.007 0.000 1.092 251 L CA 1.265 56.110 54.840 0.007 0.000 0.759 251 L CB -0.575 41.489 42.059 0.009 0.000 0.903 251 L HN 0.281 nan 8.230 nan 0.000 0.435 252 I N -0.266 120.290 120.570 -0.023 0.000 2.202 252 I HA -0.241 3.929 4.170 -0.000 0.000 0.242 252 I C 2.092 178.169 176.117 -0.065 0.000 1.091 252 I CA 1.074 62.346 61.300 -0.046 0.000 1.368 252 I CB -0.401 37.562 38.000 -0.063 0.000 1.058 252 I HN 0.214 nan 8.210 nan 0.000 0.410 253 D N 1.274 121.636 120.400 -0.062 0.000 2.087 253 D HA -0.166 4.474 4.640 -0.000 0.000 0.192 253 D C 2.215 178.500 176.300 -0.025 0.000 0.993 253 D CA 1.429 55.388 54.000 -0.069 0.000 0.828 253 D CB -0.410 40.366 40.800 -0.039 0.000 0.968 253 D HN 0.250 nan 8.370 nan 0.000 0.448 254 L N 0.478 121.704 121.223 0.006 0.000 2.456 254 L HA -0.049 4.291 4.340 -0.000 0.000 0.224 254 L C 1.773 178.670 176.870 0.045 0.000 1.148 254 L CA 0.877 55.740 54.840 0.038 0.000 0.825 254 L CB -0.309 41.774 42.059 0.039 0.000 0.937 254 L HN 0.058 nan 8.230 nan 0.000 0.450 255 S N -3.289 112.421 115.700 0.017 0.000 2.554 255 S HA 0.126 4.596 4.470 -0.000 0.000 0.226 255 S C 0.657 175.258 174.600 0.002 0.000 0.980 255 S CA -0.517 57.694 58.200 0.018 0.000 0.939 255 S CB 0.079 63.285 63.200 0.009 0.000 0.832 255 S HN 0.119 nan 8.310 nan 0.000 0.486 256 T N 2.874 117.419 114.554 -0.014 0.000 2.859 256 T HA 0.589 4.939 4.350 -0.000 0.000 0.281 256 T C -0.557 174.149 174.700 0.009 0.000 1.005 256 T CA -0.573 61.504 62.100 -0.040 0.000 1.025 256 T CB 1.296 70.071 68.868 -0.154 0.000 0.977 256 T HN 0.236 nan 8.240 nan 0.000 0.458 257 L N 3.122 124.349 121.223 0.006 0.000 2.295 257 L HA 0.477 4.817 4.340 -0.000 0.000 0.285 257 L C -1.000 175.966 176.870 0.161 0.000 1.035 257 L CA -1.096 53.722 54.840 -0.036 0.000 0.806 257 L CB 0.858 42.777 42.059 -0.233 0.000 1.214 257 L HN 0.634 nan 8.230 nan 0.000 0.426 258 Y N 4.412 124.774 120.300 0.103 0.000 2.388 258 Y HA 0.476 5.026 4.550 -0.000 0.000 0.328 258 Y C -0.850 174.997 175.900 -0.088 0.000 0.963 258 Y CA -1.108 57.100 58.100 0.181 0.000 1.240 258 Y CB 0.574 39.289 38.460 0.426 0.000 1.118 258 Y HN 0.534 nan 8.280 nan 0.000 0.484 259 N N 5.720 123.941 118.700 -0.798 0.000 2.380 259 N HA 0.585 5.325 4.740 -0.000 0.000 0.290 259 N C -1.553 173.421 175.510 -0.893 0.000 1.236 259 N CA -0.681 51.855 53.050 -0.856 0.000 0.780 259 N CB 2.252 40.276 38.487 -0.771 0.000 1.438 259 N HN 0.548 nan 8.380 nan 0.000 0.491 260 L N 0.437 121.361 121.223 -0.500 0.000 2.365 260 L HA 0.581 4.921 4.340 -0.000 0.000 0.273 260 L C -0.078 176.783 176.870 -0.015 0.000 1.000 260 L CA -0.538 54.189 54.840 -0.188 0.000 0.819 260 L CB 1.832 43.779 42.059 -0.186 0.000 1.284 260 L HN 0.403 nan 8.230 nan 0.000 0.418 261 E N 2.101 122.417 120.200 0.193 0.000 2.413 261 E HA 0.367 4.717 4.350 -0.000 0.000 0.277 261 E C -1.514 175.158 176.600 0.119 0.000 0.958 261 E CA -0.843 55.669 56.400 0.186 0.000 0.779 261 E CB 3.124 33.016 29.700 0.321 0.000 1.278 261 E HN 0.673 nan 8.360 nan 0.000 0.456 262 N N -0.086 118.630 118.700 0.026 0.000 2.380 262 N HA 0.573 5.312 4.740 -0.000 0.000 0.290 262 N C -1.209 174.331 175.510 0.050 0.000 1.236 262 N CA -0.646 52.349 53.050 -0.092 0.000 0.780 262 N CB 1.912 40.251 38.487 -0.246 0.000 1.438 262 N HN 0.468 nan 8.380 nan 0.000 0.491 263 S N -1.944 113.788 115.700 0.054 0.000 2.587 263 S HA 0.826 5.296 4.470 -0.000 0.000 0.269 263 S C -1.641 173.024 174.600 0.108 0.000 1.154 263 S CA -0.953 57.313 58.200 0.110 0.000 0.824 263 S CB 1.025 64.333 63.200 0.181 0.000 1.118 263 S HN 1.050 nan 8.310 nan 0.000 0.462 264 A N 1.311 124.202 122.820 0.120 0.000 2.350 264 A HA 0.858 5.178 4.320 -0.000 0.000 0.324 264 A C -0.926 176.747 177.584 0.147 0.000 1.118 264 A CA -0.663 51.456 52.037 0.137 0.000 0.783 264 A CB 1.412 20.491 19.000 0.131 0.000 1.236 264 A HN 0.684 nan 8.150 nan 0.000 0.457 265 Q N 0.016 119.926 119.800 0.184 0.000 2.347 265 Q HA 0.711 5.051 4.340 -0.000 0.000 0.271 265 Q C -0.743 175.409 176.000 0.253 0.000 1.064 265 Q CA -0.469 55.497 55.803 0.270 0.000 0.800 265 Q CB 2.376 31.348 28.738 0.390 0.000 1.304 265 Q HN 1.050 nan 8.270 nan 0.000 0.438 266 A N -0.374 122.602 122.820 0.259 0.000 2.532 266 A HA 0.908 5.228 4.320 -0.000 0.000 0.290 266 A C 0.195 177.858 177.584 0.132 0.000 1.143 266 A CA -0.147 51.932 52.037 0.069 0.000 0.728 266 A CB 1.618 20.647 19.000 0.049 0.000 1.317 266 A HN 0.984 nan 8.150 nan 0.000 0.414 267 G N -0.818 107.954 108.800 -0.048 0.000 2.155 267 G HA2 0.007 3.967 3.960 -0.000 0.000 0.135 267 G HA3 0.007 3.967 3.960 -0.000 0.000 0.135 267 G C -0.382 174.475 174.900 -0.071 0.000 1.023 267 G CA -0.078 45.054 45.100 0.053 0.000 0.688 267 G HN 0.784 nan 8.290 nan 0.000 0.499 268 L N 1.149 122.140 121.223 -0.387 0.000 2.397 268 L HA 0.683 5.023 4.340 -0.000 0.000 0.271 268 L C 0.622 177.406 176.870 -0.145 0.000 1.148 268 L CA 0.282 54.875 54.840 -0.413 0.000 0.825 268 L CB 1.451 43.175 42.059 -0.558 0.000 1.117 268 L HN 0.146 nan 8.230 nan 0.000 0.456 269 T N 2.719 117.221 114.554 -0.087 0.000 2.921 269 T HA 0.359 4.709 4.350 -0.000 0.000 0.297 269 T C -2.611 172.059 174.700 -0.051 0.000 1.013 269 T CA -1.277 60.796 62.100 -0.044 0.000 0.990 269 T CB 2.029 70.891 68.868 -0.010 0.000 1.023 269 T HN 0.216 nan 8.240 nan 0.000 0.447 270 P HA 0.057 nan 4.420 nan 0.000 0.263 270 P C 0.207 177.479 177.300 -0.047 0.000 1.175 270 P CA 0.583 63.658 63.100 -0.041 0.000 0.761 270 P CB -0.024 31.662 31.700 -0.025 0.000 0.794 271 N N -1.296 117.362 118.700 -0.070 0.000 2.713 271 N HA -0.161 4.579 4.740 -0.000 0.000 0.251 271 N C -0.769 174.705 175.510 -0.059 0.000 1.117 271 N CA 0.226 53.235 53.050 -0.068 0.000 0.770 271 N CB -1.470 36.999 38.487 -0.030 0.000 1.137 271 N HN 0.119 nan 8.380 nan 0.000 0.566 272 V N 0.703 120.578 119.914 -0.066 0.000 2.495 272 V HA 0.219 4.339 4.120 -0.000 0.000 0.298 272 V C -0.092 175.976 176.094 -0.043 0.000 1.031 272 V CA -0.746 61.534 62.300 -0.034 0.000 0.871 272 V CB 1.781 33.602 31.823 -0.004 0.000 0.988 272 V HN 0.029 nan 8.190 nan 0.000 0.432 273 D N 3.764 124.147 120.400 -0.027 0.000 2.451 273 D HA 0.085 4.725 4.640 -0.000 0.000 0.254 273 D C -0.508 175.810 176.300 0.029 0.000 1.204 273 D CA 0.553 54.536 54.000 -0.028 0.000 0.896 273 D CB 0.230 41.034 40.800 0.006 0.000 1.136 273 D HN 0.333 nan 8.370 nan 0.000 0.499 274 F N 3.612 123.471 119.950 -0.151 0.000 2.405 274 F HA 0.331 4.858 4.527 -0.000 0.000 0.355 274 F C -0.601 175.144 175.800 -0.092 0.000 1.121 274 F CA -0.781 57.148 58.000 -0.119 0.000 1.112 274 F CB 0.791 39.696 39.000 -0.159 0.000 1.126 274 F HN 0.002 nan 8.300 nan 0.000 0.481 275 V N 6.887 126.502 119.914 -0.499 0.000 2.448 275 V HA 0.425 4.544 4.120 -0.000 0.000 0.295 275 V C -0.711 175.107 176.094 -0.459 0.000 1.025 275 V CA -0.889 61.197 62.300 -0.356 0.000 0.859 275 V CB 1.564 33.257 31.823 -0.216 0.000 0.988 275 V HN 0.498 nan 8.190 nan 0.000 0.431 276 V N 4.960 124.713 119.914 -0.269 0.000 2.313 276 V HA 0.348 4.468 4.120 -0.000 0.000 0.278 276 V C -0.050 175.895 176.094 -0.248 0.000 1.017 276 V CA -0.756 61.401 62.300 -0.237 0.000 0.823 276 V CB 1.225 32.979 31.823 -0.114 0.000 1.010 276 V HN 0.945 nan 8.190 nan 0.000 0.443 277 Q N 3.215 122.850 119.800 -0.274 0.000 2.392 277 Q HA 0.354 4.694 4.340 -0.000 0.000 0.262 277 Q C -0.906 174.826 176.000 -0.446 0.000 1.003 277 Q CA 0.314 55.905 55.803 -0.353 0.000 0.888 277 Q CB 0.440 28.845 28.738 -0.556 0.000 1.260 277 Q HN 0.629 nan 8.270 nan 0.000 0.435 278 Y N 0.381 120.430 120.300 -0.419 0.000 2.308 278 Y HA 0.477 5.027 4.550 -0.000 0.000 0.329 278 Y C 0.541 176.228 175.900 -0.354 0.000 1.111 278 Y CA -0.690 57.097 58.100 -0.521 0.000 1.179 278 Y CB 0.967 39.043 38.460 -0.640 0.000 1.201 278 Y HN 0.694 nan 8.280 nan 0.000 0.483 279 A N 3.789 126.639 122.820 0.049 0.000 2.346 279 A HA 0.234 4.554 4.320 -0.000 0.000 0.252 279 A C 0.217 177.859 177.584 0.097 0.000 1.089 279 A CA -0.758 51.390 52.037 0.185 0.000 0.797 279 A CB 0.027 19.011 19.000 -0.028 0.000 1.047 279 A HN 0.851 nan 8.150 nan 0.000 0.494 280 N N -0.399 118.324 118.700 0.037 0.000 2.413 280 N HA 0.409 5.149 4.740 -0.000 0.000 0.266 280 N C 0.608 176.057 175.510 -0.101 0.000 1.238 280 N CA 0.055 53.076 53.050 -0.049 0.000 0.972 280 N CB 0.965 39.415 38.487 -0.062 0.000 1.210 280 N HN 0.837 nan 8.380 nan 0.000 0.547 281 L N -3.955 117.239 121.223 -0.047 0.000 3.898 281 L HA -0.275 4.065 4.340 -0.000 0.000 0.382 281 L C -0.535 176.619 176.870 0.473 0.000 0.711 281 L CA 1.465 56.419 54.840 0.189 0.000 2.828 281 L CB -1.308 40.811 42.059 0.099 0.000 0.852 281 L HN 0.509 nan 8.230 nan 0.000 0.694 282 Y N 1.382 121.704 120.300 0.036 0.000 2.309 282 Y HA 0.399 4.949 4.550 -0.000 0.000 0.327 282 Y C 1.091 176.998 175.900 0.010 0.000 1.172 282 Y CA -0.637 57.329 58.100 -0.223 0.000 1.280 282 Y CB 0.512 38.361 38.460 -1.018 0.000 1.234 282 Y HN 0.019 nan 8.280 nan 0.000 0.512 283 R N 3.526 124.118 120.500 0.154 0.000 2.369 283 R HA 0.233 4.573 4.340 -0.000 0.000 0.310 283 R C -1.450 174.920 176.300 0.118 0.000 1.141 283 R CA -0.522 55.681 56.100 0.172 0.000 1.116 283 R CB 0.014 30.361 30.300 0.077 0.000 1.135 283 R HN 0.485 nan 8.270 nan 0.000 0.529 284 Y N 3.039 123.467 120.300 0.213 0.000 2.587 284 Y HA -0.010 4.540 4.550 -0.000 0.000 0.344 284 Y C 1.441 177.421 175.900 0.133 0.000 1.061 284 Y CA -0.150 58.092 58.100 0.236 0.000 1.370 284 Y CB 0.456 39.081 38.460 0.275 0.000 1.163 284 Y HN 0.458 nan 8.280 nan 0.000 0.527 285 L N 1.940 123.290 121.223 0.211 0.000 2.131 285 L HA -0.010 4.330 4.340 -0.000 0.000 0.206 285 L C 0.829 177.813 176.870 0.191 0.000 1.087 285 L CA 0.796 55.702 54.840 0.111 0.000 0.767 285 L CB -0.140 41.907 42.059 -0.020 0.000 0.917 285 L HN 0.640 nan 8.230 nan 0.000 0.441 286 S N -2.071 113.801 115.700 0.285 0.000 2.570 286 S HA 0.582 5.052 4.470 -0.000 0.000 0.270 286 S C -0.628 174.157 174.600 0.309 0.000 1.149 286 S CA -0.709 57.627 58.200 0.226 0.000 0.837 286 S CB 2.349 65.720 63.200 0.285 0.000 1.124 286 S HN -0.074 nan 8.310 nan 0.000 0.465 287 T N 2.029 116.674 114.554 0.152 0.000 2.881 287 T HA 0.610 4.960 4.350 -0.000 0.000 0.290 287 T C -0.901 173.773 174.700 -0.044 0.000 1.000 287 T CA -0.418 61.733 62.100 0.085 0.000 0.978 287 T CB 0.863 69.831 68.868 0.167 0.000 0.997 287 T HN 0.658 nan 8.240 nan 0.000 0.443 288 I N 2.210 122.694 120.570 -0.144 0.000 2.509 288 I HA 0.745 4.915 4.170 -0.000 0.000 0.293 288 I C -0.370 175.603 176.117 -0.240 0.000 1.020 288 I CA -0.997 60.264 61.300 -0.064 0.000 1.088 288 I CB 1.819 39.894 38.000 0.124 0.000 1.267 288 I HN 0.735 nan 8.210 nan 0.000 0.430 289 A N 6.037 128.784 122.820 -0.123 0.000 2.375 289 A HA 0.727 5.047 4.320 -0.000 0.000 0.295 289 A C -1.178 176.512 177.584 0.176 0.000 1.066 289 A CA -0.462 51.520 52.037 -0.091 0.000 0.722 289 A CB 1.394 20.223 19.000 -0.286 0.000 1.206 289 A HN 0.381 nan 8.150 nan 0.000 0.435 290 V N 3.132 123.180 119.914 0.225 0.000 2.370 290 V HA 0.337 4.457 4.120 -0.000 0.000 0.283 290 V C -0.595 175.712 176.094 0.356 0.000 1.023 290 V CA -0.391 62.086 62.300 0.295 0.000 0.857 290 V CB 1.175 33.148 31.823 0.250 0.000 0.985 290 V HN 0.775 nan 8.190 nan 0.000 0.443 291 F N 5.293 125.353 119.950 0.184 0.000 2.406 291 F HA 0.366 4.893 4.527 0.000 0.000 0.358 291 F C 0.444 176.137 175.800 -0.179 0.000 1.161 291 F CA -1.846 56.176 58.000 0.038 0.000 1.185 291 F CB 0.166 39.214 39.000 0.080 0.000 1.421 291 F HN 0.606 nan 8.300 nan 0.000 0.576 292 D N 4.176 124.533 120.400 -0.072 0.000 2.435 292 D HA -0.029 4.611 4.640 -0.000 0.000 0.230 292 D C -0.040 175.893 176.300 -0.612 0.000 1.215 292 D CA 0.077 53.701 54.000 -0.627 0.000 0.947 292 D CB -0.299 40.398 40.800 -0.173 0.000 1.048 292 D HN 0.267 nan 8.370 nan 0.000 0.512 293 N N 2.832 120.939 118.700 -0.988 0.000 3.178 293 N HA 0.188 4.928 4.740 -0.000 0.000 0.300 293 N C 0.718 175.924 175.510 -0.507 0.000 1.242 293 N CA 0.460 52.994 53.050 -0.860 0.000 1.192 293 N CB -0.520 37.293 38.487 -1.123 0.000 1.463 293 N HN 0.621 nan 8.380 nan 0.000 0.539 294 G N 0.621 109.214 108.800 -0.346 0.000 2.295 294 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.287 294 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.287 294 G C 0.941 175.713 174.900 -0.214 0.000 1.055 294 G CA 0.457 45.427 45.100 -0.217 0.000 0.922 294 G HN 1.070 nan 8.290 nan 0.000 0.503 295 G N -2.337 106.293 108.800 -0.283 0.000 2.195 295 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.246 295 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.246 295 G C 0.403 175.199 174.900 -0.174 0.000 0.984 295 G CA 0.686 45.697 45.100 -0.148 0.000 0.633 295 G HN 1.750 nan 8.290 nan 0.000 0.525 296 S N 0.033 115.492 115.700 -0.402 0.000 2.451 296 S HA 0.773 5.243 4.470 -0.000 0.000 0.301 296 S C -0.875 173.368 174.600 -0.596 0.000 1.116 296 S CA -0.408 57.613 58.200 -0.298 0.000 1.093 296 S CB 0.910 63.965 63.200 -0.241 0.000 1.017 296 S HN 0.309 nan 8.310 nan 0.000 0.482 297 F N 3.028 122.873 119.950 -0.174 0.000 2.403 297 F HA 0.447 4.974 4.527 -0.000 0.000 0.355 297 F C 0.488 176.227 175.800 -0.101 0.000 1.119 297 F CA -0.913 56.993 58.000 -0.157 0.000 1.007 297 F CB 1.091 39.997 39.000 -0.157 0.000 1.194 297 F HN 0.376 nan 8.300 nan 0.000 0.443 298 N N 1.441 120.147 118.700 0.010 0.000 2.430 298 N HA 0.500 5.240 4.740 -0.000 0.000 0.298 298 N C -0.421 175.162 175.510 0.122 0.000 1.130 298 N CA -0.680 52.396 53.050 0.043 0.000 0.894 298 N CB 2.162 40.641 38.487 -0.013 0.000 1.209 298 N HN 0.572 nan 8.380 nan 0.000 0.503 299 A N 0.605 123.491 122.820 0.111 0.000 3.037 299 A HA 0.468 4.788 4.320 -0.000 0.000 0.272 299 A C 1.348 179.044 177.584 0.187 0.000 1.723 299 A CA 0.291 52.411 52.037 0.139 0.000 1.413 299 A CB -1.392 17.668 19.000 0.099 0.000 1.112 299 A HN 0.905 nan 8.150 nan 0.000 0.606 300 G N 1.230 110.206 108.800 0.294 0.000 2.302 300 G HA2 -0.421 3.538 3.960 -0.000 0.000 0.263 300 G HA3 -0.421 3.538 3.960 -0.000 0.000 0.263 300 G C 1.319 176.308 174.900 0.147 0.000 0.995 300 G CA 1.581 46.841 45.100 0.267 0.000 0.622 300 G HN 1.508 nan 8.290 nan 0.000 0.538 301 T N -0.634 113.990 114.554 0.116 0.000 2.977 301 T HA 0.049 4.399 4.350 -0.000 0.000 0.271 301 T C 1.465 176.200 174.700 0.058 0.000 1.105 301 T CA 1.854 63.996 62.100 0.071 0.000 1.116 301 T CB -0.222 68.676 68.868 0.050 0.000 0.878 301 T HN 0.626 nan 8.240 nan 0.000 0.509 302 D N 0.417 120.868 120.400 0.084 0.000 2.388 302 D HA 0.255 4.895 4.640 -0.000 0.000 0.221 302 D C 0.123 176.515 176.300 0.154 0.000 1.133 302 D CA -0.502 53.558 54.000 0.100 0.000 0.831 302 D CB -0.322 40.507 40.800 0.049 0.000 0.962 302 D HN 0.472 nan 8.370 nan 0.000 0.502 303 I N 0.439 121.046 120.570 0.062 0.000 2.545 303 I HA 0.222 4.392 4.170 -0.000 0.000 0.292 303 I C 0.606 176.662 176.117 -0.101 0.000 1.040 303 I CA -0.870 60.386 61.300 -0.074 0.000 1.068 303 I CB 2.141 40.033 38.000 -0.180 0.000 1.251 303 I HN -0.271 nan 8.210 nan 0.000 0.424 304 N N 3.893 122.479 118.700 -0.190 0.000 2.220 304 N HA -0.001 4.739 4.740 -0.000 0.000 0.182 304 N C -0.571 174.922 175.510 -0.029 0.000 1.023 304 N CA 1.360 54.340 53.050 -0.118 0.000 0.856 304 N CB 0.269 38.642 38.487 -0.190 0.000 0.997 304 N HN 0.641 nan 8.380 nan 0.000 0.429 305 Y N -2.045 118.172 120.300 -0.139 0.000 2.774 305 Y HA 0.593 5.142 4.550 -0.000 0.000 0.346 305 Y C -1.865 173.855 175.900 -0.301 0.000 1.222 305 Y CA -1.471 56.529 58.100 -0.167 0.000 1.088 305 Y CB 0.336 38.742 38.460 -0.090 0.000 1.354 305 Y HN -0.277 nan 8.280 nan 0.000 0.455 306 L N 1.683 122.840 121.223 -0.110 0.000 2.309 306 L HA 0.954 5.294 4.340 -0.000 0.000 0.261 306 L C -0.056 176.707 176.870 -0.179 0.000 1.021 306 L CA -0.604 53.941 54.840 -0.492 0.000 0.823 306 L CB 2.112 43.383 42.059 -1.313 0.000 1.366 306 L HN 0.908 nan 8.230 nan 0.000 0.423 307 S N -0.402 115.089 115.700 -0.349 0.000 2.643 307 S HA 0.528 4.998 4.470 -0.000 0.000 0.266 307 S C -2.159 172.335 174.600 -0.177 0.000 1.130 307 S CA -0.652 57.535 58.200 -0.022 0.000 0.817 307 S CB 1.384 64.593 63.200 0.016 0.000 1.107 307 S HN 0.574 nan 8.310 nan 0.000 0.471 308 Q N 0.900 120.708 119.800 0.015 0.000 2.337 308 Q HA 0.664 5.004 4.340 -0.000 0.000 0.270 308 Q C -1.036 174.979 176.000 0.024 0.000 1.043 308 Q CA -0.749 55.084 55.803 0.050 0.000 0.794 308 Q CB 2.200 31.018 28.738 0.134 0.000 1.281 308 Q HN 0.686 nan 8.270 nan 0.000 0.446 309 R N -1.030 119.482 120.500 0.021 0.000 2.643 309 R HA 0.569 4.909 4.340 -0.000 0.000 0.269 309 R C -1.243 175.052 176.300 -0.008 0.000 1.037 309 R CA -0.837 55.262 56.100 -0.003 0.000 0.894 309 R CB 1.081 31.371 30.300 -0.017 0.000 1.238 309 R HN 0.470 nan 8.270 nan 0.000 0.459 310 T N -0.561 113.980 114.554 -0.021 0.000 2.770 310 T HA 0.548 4.898 4.350 -0.000 0.000 0.297 310 T C 0.601 175.283 174.700 -0.031 0.000 0.997 310 T CA -0.578 61.504 62.100 -0.030 0.000 0.949 310 T CB 1.475 70.325 68.868 -0.031 0.000 0.941 310 T HN 0.766 nan 8.240 nan 0.000 0.457 311 A N 2.929 125.727 122.820 -0.036 0.000 3.110 311 A HA 0.479 4.799 4.320 -0.000 0.000 0.265 311 A C 1.509 179.074 177.584 -0.031 0.000 1.962 311 A CA 0.285 52.301 52.037 -0.035 0.000 1.493 311 A CB -1.881 17.094 19.000 -0.041 0.000 0.941 311 A HN 1.335 nan 8.150 nan 0.000 0.610 312 N N -1.794 116.889 118.700 -0.028 0.000 1.890 312 N HA 0.331 5.071 4.740 -0.000 0.000 0.250 312 N C 0.216 175.713 175.510 -0.022 0.000 1.380 312 N CA 0.730 53.766 53.050 -0.024 0.000 0.755 312 N CB -0.224 38.248 38.487 -0.026 0.000 1.203 312 N HN 1.390 nan 8.380 nan 0.000 0.539 313 F N 0.400 120.336 119.950 -0.023 0.000 2.697 313 F HA 0.832 5.359 4.527 -0.000 0.000 0.367 313 F C 1.031 176.816 175.800 -0.024 0.000 1.300 313 F CA 0.716 58.703 58.000 -0.021 0.000 1.121 313 F CB -0.450 38.538 39.000 -0.019 0.000 1.188 313 F HN 0.879 nan 8.300 nan 0.000 0.511 314 S N 0.038 115.723 115.700 -0.026 0.000 3.109 314 S HA -0.229 4.241 4.470 -0.000 0.000 0.632 314 S C -0.328 174.254 174.600 -0.031 0.000 2.927 314 S CA 1.539 59.721 58.200 -0.030 0.000 3.233 314 S CB -1.259 61.920 63.200 -0.034 0.000 0.325 314 S HN 0.932 nan 8.310 nan 0.000 1.720 315 D N 0.863 121.239 120.400 -0.039 0.000 2.304 315 D HA 0.462 5.102 4.640 -0.000 0.000 0.250 315 D C 1.219 177.502 176.300 -0.029 0.000 1.107 315 D CA 0.466 54.444 54.000 -0.036 0.000 0.885 315 D CB 1.137 41.902 40.800 -0.058 0.000 1.192 315 D HN 0.649 nan 8.370 nan 0.000 0.436 316 T N -0.882 113.663 114.554 -0.016 0.000 3.060 316 T HA 0.033 4.383 4.350 -0.000 0.000 0.249 316 T C 0.706 175.398 174.700 -0.013 0.000 1.079 316 T CA -0.349 61.742 62.100 -0.016 0.000 1.013 316 T CB -0.018 68.841 68.868 -0.014 0.000 0.975 316 T HN 0.587 nan 8.240 nan 0.000 0.518 317 R N 0.284 120.786 120.500 0.003 0.000 2.714 317 R HA 0.316 4.656 4.340 -0.000 0.000 0.214 317 R C -0.922 175.430 176.300 0.087 0.000 1.474 317 R CA -0.665 55.449 56.100 0.022 0.000 1.435 317 R CB -0.353 29.939 30.300 -0.013 0.000 1.517 317 R HN 0.090 nan 8.270 nan 0.000 0.748 318 K N 2.865 123.272 120.400 0.012 0.000 2.310 318 K HA 0.315 4.635 4.320 -0.000 0.000 0.290 318 K C -0.971 175.635 176.600 0.009 0.000 1.077 318 K CA -0.144 56.120 56.287 -0.039 0.000 0.922 318 K CB 0.509 32.873 32.500 -0.228 0.000 1.057 318 K HN 0.444 nan 8.250 nan 0.000 0.479 319 L N 3.858 125.175 121.223 0.158 0.000 2.388 319 L HA 0.334 4.674 4.340 -0.000 0.000 0.264 319 L C -0.088 176.914 176.870 0.220 0.000 0.998 319 L CA -1.286 53.671 54.840 0.195 0.000 0.817 319 L CB 1.859 44.098 42.059 0.300 0.000 1.338 319 L HN 0.759 nan 8.230 nan 0.000 0.414 320 D N 0.647 121.149 120.400 0.171 0.000 2.368 320 D HA 0.086 4.726 4.640 -0.000 0.000 0.240 320 D C -2.193 174.217 176.300 0.183 0.000 1.169 320 D CA -1.307 52.789 54.000 0.159 0.000 0.906 320 D CB 1.397 42.269 40.800 0.121 0.000 1.187 320 D HN 0.191 nan 8.370 nan 0.000 0.435 321 P HA -0.193 nan 4.420 nan 0.000 0.216 321 P C 1.322 178.790 177.300 0.279 0.000 1.157 321 P CA 1.697 64.894 63.100 0.162 0.000 0.880 321 P CB 0.134 31.904 31.700 0.117 0.000 0.791 322 K N -1.225 119.301 120.400 0.211 0.000 2.097 322 K HA -0.064 4.256 4.320 -0.000 0.000 0.206 322 K C 1.998 178.722 176.600 0.207 0.000 1.049 322 K CA 1.675 58.082 56.287 0.199 0.000 0.933 322 K CB -0.764 31.819 32.500 0.138 0.000 0.717 322 K HN 0.175 nan 8.250 nan 0.000 0.442 323 T N 0.528 115.201 114.554 0.198 0.000 2.904 323 T HA -0.150 4.200 4.350 -0.000 0.000 0.267 323 T C 1.189 176.020 174.700 0.219 0.000 1.059 323 T CA 0.663 62.864 62.100 0.168 0.000 1.137 323 T CB -0.143 68.804 68.868 0.133 0.000 0.879 323 T HN 0.429 nan 8.240 nan 0.000 0.467 324 W N 2.217 123.586 121.300 0.115 0.000 2.358 324 W HA -0.070 4.590 4.660 -0.000 0.000 0.303 324 W C 2.454 179.092 176.519 0.199 0.000 1.208 324 W CA 1.233 58.667 57.345 0.148 0.000 1.274 324 W CB -0.615 28.938 29.460 0.155 0.000 1.138 324 W HN 0.294 nan 8.180 nan 0.000 0.515 325 A N 1.001 124.120 122.820 0.499 0.000 1.933 325 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 325 A C 2.210 179.921 177.584 0.212 0.000 1.175 325 A CA 2.717 54.984 52.037 0.382 0.000 0.628 325 A CB -1.290 17.904 19.000 0.324 0.000 0.814 325 A HN 0.298 nan 8.150 nan 0.000 0.444 326 A N -0.878 122.038 122.820 0.159 0.000 1.883 326 A HA -0.237 4.083 4.320 -0.000 0.000 0.217 326 A C 2.101 179.722 177.584 0.060 0.000 1.186 326 A CA 1.833 53.926 52.037 0.093 0.000 0.624 326 A CB -0.532 18.514 19.000 0.076 0.000 0.822 326 A HN 0.505 nan 8.150 nan 0.000 0.444 327 Q N -0.565 119.249 119.800 0.024 0.000 2.135 327 Q HA -0.134 4.206 4.340 -0.000 0.000 0.204 327 Q C 2.171 178.197 176.000 0.043 0.000 0.981 327 Q CA 2.045 57.835 55.803 -0.022 0.000 0.856 327 Q CB -1.246 27.398 28.738 -0.157 0.000 0.902 327 Q HN 0.668 nan 8.270 nan 0.000 0.425 328 T N 1.033 115.652 114.554 0.107 0.000 2.821 328 T HA -0.074 4.276 4.350 -0.000 0.000 0.267 328 T C 1.798 176.564 174.700 0.110 0.000 1.046 328 T CA 0.791 63.027 62.100 0.227 0.000 1.139 328 T CB -0.046 69.053 68.868 0.385 0.000 0.871 328 T HN 0.264 nan 8.240 nan 0.000 0.454 329 R N 0.680 121.224 120.500 0.074 0.000 2.152 329 R HA 0.033 4.373 4.340 -0.000 0.000 0.232 329 R C 2.487 178.793 176.300 0.010 0.000 1.117 329 R CA 0.746 56.859 56.100 0.022 0.000 0.981 329 R CB -0.063 30.256 30.300 0.031 0.000 0.870 329 R HN 0.238 nan 8.270 nan 0.000 0.451 330 R N 0.202 120.719 120.500 0.029 0.000 2.148 330 R HA 0.015 4.355 4.340 -0.000 0.000 0.223 330 R C 1.983 178.299 176.300 0.027 0.000 1.088 330 R CA 0.768 56.881 56.100 0.022 0.000 0.985 330 R CB -0.039 30.276 30.300 0.024 0.000 0.880 330 R HN 0.164 nan 8.270 nan 0.000 0.451 331 R N 0.660 121.190 120.500 0.050 0.000 2.090 331 R HA 0.115 4.455 4.340 -0.000 0.000 0.219 331 R C 2.101 178.387 176.300 -0.023 0.000 1.100 331 R CA 0.923 57.059 56.100 0.060 0.000 0.991 331 R CB -0.180 30.230 30.300 0.183 0.000 0.893 331 R HN 0.334 nan 8.270 nan 0.000 0.443 332 I N -3.623 116.893 120.570 -0.090 0.000 4.009 332 I HA 0.468 4.638 4.170 -0.000 0.000 0.331 332 I C 0.432 176.457 176.117 -0.153 0.000 1.462 332 I CA 0.070 61.264 61.300 -0.178 0.000 1.117 332 I CB 0.752 38.515 38.000 -0.396 0.000 1.091 332 I HN -0.014 nan 8.210 nan 0.000 0.410 333 A N 0.318 123.083 122.820 -0.092 0.000 2.829 333 A HA -0.229 4.091 4.320 -0.000 0.000 0.267 333 A C 0.635 178.171 177.584 -0.079 0.000 1.370 333 A CA 1.752 53.747 52.037 -0.070 0.000 0.900 333 A CB -2.283 16.678 19.000 -0.063 0.000 1.044 333 A HN 0.807 nan 8.150 nan 0.000 0.691 334 T N -1.937 112.550 114.554 -0.111 0.000 2.654 334 T HA 0.492 4.842 4.350 -0.000 0.000 0.303 334 T C -2.113 172.506 174.700 -0.134 0.000 1.656 334 T CA 0.102 62.139 62.100 -0.105 0.000 0.971 334 T CB 0.925 69.723 68.868 -0.117 0.000 1.811 334 T HN 0.269 nan 8.240 nan 0.000 0.483 335 D N 0.584 120.925 120.400 -0.098 0.000 2.217 335 D HA 0.536 5.176 4.640 -0.000 0.000 0.248 335 D C -0.327 175.886 176.300 -0.145 0.000 1.008 335 D CA -0.107 53.858 54.000 -0.058 0.000 0.914 335 D CB 0.742 41.558 40.800 0.027 0.000 1.182 335 D HN 0.286 nan 8.370 nan 0.000 0.451 336 F N 0.654 120.543 119.950 -0.102 0.000 2.403 336 F HA 0.246 4.773 4.527 -0.000 0.000 0.320 336 F C -1.349 174.352 175.800 -0.165 0.000 1.176 336 F CA -1.432 56.431 58.000 -0.229 0.000 1.206 336 F CB -0.120 38.643 39.000 -0.396 0.000 1.235 336 F HN 0.071 nan 8.300 nan 0.000 0.565 337 P HA -0.021 nan 4.420 nan 0.000 0.270 337 P C -1.092 176.239 177.300 0.052 0.000 1.221 337 P CA -0.202 62.965 63.100 0.112 0.000 0.788 337 P CB 0.312 32.185 31.700 0.289 0.000 0.904 338 K N 1.079 121.514 120.400 0.059 0.000 2.511 338 K HA 0.161 4.481 4.320 -0.000 0.000 0.280 338 K C 1.279 177.932 176.600 0.089 0.000 1.008 338 K CA 1.159 57.479 56.287 0.056 0.000 1.050 338 K CB -0.687 31.864 32.500 0.085 0.000 0.889 338 K HN 0.852 nan 8.250 nan 0.000 0.484 339 G N 1.190 109.998 108.800 0.013 0.000 2.184 339 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.264 339 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.264 339 G C -0.001 174.850 174.900 -0.082 0.000 0.975 339 G CA 0.026 45.195 45.100 0.116 0.000 0.642 339 G HN 0.427 nan 8.290 nan 0.000 0.536 340 V N 1.081 120.780 119.914 -0.359 0.000 2.347 340 V HA 0.634 4.754 4.120 -0.000 0.000 0.280 340 V C -0.344 175.388 176.094 -0.604 0.000 1.021 340 V CA -0.822 61.277 62.300 -0.335 0.000 0.847 340 V CB 0.820 32.443 31.823 -0.332 0.000 0.990 340 V HN 0.249 nan 8.190 nan 0.000 0.444 341 Y N 4.337 124.685 120.300 0.081 0.000 2.393 341 Y HA 0.602 5.152 4.550 -0.000 0.000 0.341 341 Y C -0.441 175.640 175.900 0.302 0.000 0.988 341 Y CA -0.839 57.399 58.100 0.231 0.000 1.078 341 Y CB 1.646 40.164 38.460 0.098 0.000 1.203 341 Y HN 0.634 nan 8.280 nan 0.000 0.453 342 Y N 2.368 122.960 120.300 0.488 0.000 2.468 342 Y HA 0.668 5.218 4.550 -0.000 0.000 0.342 342 Y C -1.107 175.098 175.900 0.509 0.000 1.021 342 Y CA -1.787 56.496 58.100 0.305 0.000 1.079 342 Y CB 1.687 40.215 38.460 0.113 0.000 1.226 342 Y HN 0.798 nan 8.280 nan 0.000 0.460 343 C N 6.850 125.884 119.300 -0.444 0.000 2.505 343 C HA 0.361 4.821 4.460 -0.000 0.000 0.342 343 C C -1.318 173.263 174.990 -0.681 0.000 1.121 343 C CA -0.710 58.101 59.018 -0.345 0.000 1.306 343 C CB -0.132 27.792 27.740 0.307 0.000 1.897 343 C HN 0.898 nan 8.230 nan 0.000 0.446 344 D N 3.970 124.053 120.400 -0.528 0.000 2.249 344 D HA 0.312 4.952 4.640 -0.000 0.000 0.246 344 D C -0.005 176.257 176.300 -0.064 0.000 1.114 344 D CA 0.267 54.137 54.000 -0.217 0.000 0.854 344 D CB 0.835 41.656 40.800 0.035 0.000 1.132 344 D HN 0.730 nan 8.370 nan 0.000 0.461 345 N N 3.365 122.072 118.700 0.011 0.000 2.466 345 N HA 0.093 4.833 4.740 -0.000 0.000 0.272 345 N C 1.006 176.547 175.510 0.052 0.000 1.455 345 N CA -0.153 52.916 53.050 0.031 0.000 0.875 345 N CB 0.725 39.240 38.487 0.046 0.000 1.372 345 N HN 0.363 nan 8.380 nan 0.000 0.492 346 R N 0.413 120.954 120.500 0.068 0.000 2.075 346 R HA -0.029 4.311 4.340 -0.000 0.000 0.232 346 R C 0.789 177.111 176.300 0.037 0.000 1.126 346 R CA 1.116 57.255 56.100 0.065 0.000 0.963 346 R CB 0.105 30.481 30.300 0.126 0.000 0.858 346 R HN 0.065 nan 8.270 nan 0.000 0.435 347 D N 0.508 120.932 120.400 0.040 0.000 2.183 347 D HA -0.047 4.593 4.640 -0.000 0.000 0.203 347 D C 0.149 176.461 176.300 0.021 0.000 0.969 347 D CA 1.335 55.352 54.000 0.028 0.000 0.842 347 D CB 0.213 41.029 40.800 0.027 0.000 0.957 347 D HN 0.097 nan 8.370 nan 0.000 0.484 348 K N 0.666 121.080 120.400 0.023 0.000 2.752 348 K HA 0.298 4.618 4.320 -0.000 0.000 0.199 348 K C -2.731 173.890 176.600 0.036 0.000 1.069 348 K CA -1.464 54.838 56.287 0.025 0.000 1.033 348 K CB 2.484 34.996 32.500 0.019 0.000 1.229 348 K HN -0.114 nan 8.250 nan 0.000 0.572 349 P HA -0.026 nan 4.420 nan 0.000 0.266 349 P C -0.154 177.211 177.300 0.109 0.000 1.195 349 P CA -0.214 62.934 63.100 0.080 0.000 0.768 349 P CB 0.467 32.212 31.700 0.074 0.000 0.838 350 I N 3.851 124.482 120.570 0.102 0.000 2.581 350 I HA -0.007 4.163 4.170 -0.000 0.000 0.285 350 I C -0.089 176.176 176.117 0.248 0.000 1.129 350 I CA 0.313 61.626 61.300 0.022 0.000 1.397 350 I CB -1.325 36.463 38.000 -0.352 0.000 1.399 350 I HN 0.409 nan 8.210 nan 0.000 0.537 351 Y N 6.899 127.222 120.300 0.038 0.000 2.344 351 Y HA 0.245 4.795 4.550 -0.000 0.000 0.328 351 Y C 0.735 176.657 175.900 0.038 0.000 1.067 351 Y CA -0.834 57.312 58.100 0.076 0.000 1.247 351 Y CB 1.200 39.703 38.460 0.072 0.000 1.113 351 Y HN 0.759 nan 8.280 nan 0.000 0.465 352 T N 1.589 116.004 114.554 -0.232 0.000 3.309 352 T HA 0.355 4.705 4.350 -0.000 0.000 0.182 352 T C 0.875 175.320 174.700 -0.425 0.000 0.697 352 T CA 1.236 63.187 62.100 -0.249 0.000 2.501 352 T CB 0.241 69.020 68.868 -0.148 0.000 2.296 352 T HN 0.647 nan 8.240 nan 0.000 0.349 353 L N -1.653 119.390 121.223 -0.300 0.000 3.148 353 L HA 0.187 4.527 4.340 -0.000 0.000 0.392 353 L C 0.372 177.170 176.870 -0.120 0.000 1.028 353 L CA 0.313 55.004 54.840 -0.248 0.000 1.794 353 L CB -0.719 41.220 42.059 -0.201 0.000 2.507 353 L HN 0.713 nan 8.230 nan 0.000 0.517 354 Q N 0.495 120.239 119.800 -0.093 0.000 2.341 354 Q HA 0.414 4.753 4.340 -0.000 0.000 0.268 354 Q C -0.807 175.183 176.000 -0.016 0.000 1.013 354 Q CA -0.693 55.088 55.803 -0.035 0.000 0.798 354 Q CB 0.824 29.540 28.738 -0.038 0.000 1.253 354 Q HN 0.204 nan 8.270 nan 0.000 0.457 355 Y N 1.890 122.139 120.300 -0.086 0.000 2.805 355 Y HA 0.182 4.732 4.550 -0.000 0.000 0.390 355 Y C 1.458 177.321 175.900 -0.062 0.000 1.359 355 Y CA 2.156 60.206 58.100 -0.083 0.000 1.748 355 Y CB -0.363 38.044 38.460 -0.089 0.000 1.211 355 Y HN 1.414 nan 8.280 nan 0.000 0.500 356 G N 2.316 110.781 108.800 -0.558 0.000 2.131 356 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.201 356 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.201 356 G C 0.636 175.404 174.900 -0.219 0.000 1.000 356 G CA 0.419 45.222 45.100 -0.494 0.000 0.680 356 G HN 1.153 nan 8.290 nan 0.000 0.514 357 N N -1.140 117.471 118.700 -0.149 0.000 2.520 357 N HA 0.416 5.156 4.740 -0.000 0.000 0.185 357 N C 0.818 176.282 175.510 -0.077 0.000 1.068 357 N CA 1.778 54.770 53.050 -0.096 0.000 0.911 357 N CB 0.337 38.773 38.487 -0.085 0.000 0.961 357 N HN 1.019 nan 8.380 nan 0.000 0.446 358 V N -1.029 118.843 119.914 -0.071 0.000 2.760 358 V HA 0.836 4.956 4.120 -0.000 0.000 0.309 358 V C 0.272 176.439 176.094 0.122 0.000 1.077 358 V CA -0.738 61.555 62.300 -0.012 0.000 0.910 358 V CB 1.552 33.321 31.823 -0.090 0.000 1.008 358 V HN 0.467 nan 8.190 nan 0.000 0.424 359 G N 1.568 110.457 108.800 0.149 0.000 2.619 359 G HA2 0.684 4.644 3.960 -0.000 0.000 0.296 359 G HA3 0.684 4.644 3.960 -0.000 0.000 0.296 359 G C -1.972 173.081 174.900 0.255 0.000 1.334 359 G CA -0.651 44.543 45.100 0.157 0.000 0.934 359 G HN 0.488 nan 8.290 nan 0.000 0.476 360 F N 1.806 121.776 119.950 0.032 0.000 2.410 360 F HA 0.637 5.164 4.527 -0.000 0.000 0.349 360 F C -0.210 175.571 175.800 -0.032 0.000 1.117 360 F CA -0.499 57.541 58.000 0.066 0.000 1.104 360 F CB 1.658 40.645 39.000 -0.022 0.000 1.122 360 F HN 0.269 nan 8.300 nan 0.000 0.483 361 V N 6.493 126.108 119.914 -0.497 0.000 2.555 361 V HA 0.598 4.718 4.120 -0.000 0.000 0.302 361 V C -0.842 175.008 176.094 -0.407 0.000 1.038 361 V CA -0.873 61.245 62.300 -0.304 0.000 0.887 361 V CB 1.650 33.382 31.823 -0.151 0.000 0.991 361 V HN 0.553 nan 8.190 nan 0.000 0.434 362 V N 3.915 123.692 119.914 -0.228 0.000 2.524 362 V HA 0.428 4.548 4.120 -0.000 0.000 0.297 362 V C -0.391 175.491 176.094 -0.354 0.000 1.035 362 V CA -0.635 61.462 62.300 -0.339 0.000 0.867 362 V CB 1.920 33.565 31.823 -0.297 0.000 1.004 362 V HN 0.895 nan 8.190 nan 0.000 0.426 363 N N 7.108 125.457 118.700 -0.585 0.000 2.546 363 N HA 0.362 5.102 4.740 -0.000 0.000 0.238 363 N C -2.703 172.508 175.510 -0.498 0.000 0.984 363 N CA -1.598 51.096 53.050 -0.593 0.000 0.935 363 N CB 2.455 40.297 38.487 -1.076 0.000 1.122 363 N HN 0.334 nan 8.380 nan 0.000 0.510 364 P HA 0.136 nan 4.420 nan 0.000 0.275 364 P C 0.196 177.421 177.300 -0.126 0.000 1.227 364 P CA -0.179 62.775 63.100 -0.243 0.000 0.781 364 P CB 2.059 33.619 31.700 -0.234 0.000 0.906 365 K N 1.765 122.136 120.400 -0.048 0.000 2.128 365 K HA 0.043 4.362 4.320 -0.000 0.000 0.202 365 K C 0.533 177.132 176.600 -0.001 0.000 1.050 365 K CA 1.011 57.281 56.287 -0.027 0.000 0.966 365 K CB 0.125 32.620 32.500 -0.009 0.000 0.759 365 K HN 0.645 nan 8.250 nan 0.000 0.454 366 T N -1.520 113.055 114.554 0.035 0.000 2.893 366 T HA 0.541 4.891 4.350 -0.000 0.000 0.293 366 T C -0.888 173.844 174.700 0.054 0.000 1.027 366 T CA -0.946 61.165 62.100 0.018 0.000 0.988 366 T CB 2.074 70.936 68.868 -0.011 0.000 1.043 366 T HN -0.172 nan 8.240 nan 0.000 0.461 367 V N 3.846 123.771 119.914 0.018 0.000 2.443 367 V HA 0.463 4.583 4.120 -0.000 0.000 0.293 367 V C -0.368 175.702 176.094 -0.041 0.000 1.021 367 V CA -1.037 61.278 62.300 0.024 0.000 0.848 367 V CB 1.373 33.206 31.823 0.015 0.000 0.998 367 V HN 0.906 nan 8.190 nan 0.000 0.424 368 N N 2.321 120.965 118.700 -0.093 0.000 2.413 368 N HA 0.242 4.982 4.740 -0.000 0.000 0.266 368 N C -0.021 175.440 175.510 -0.081 0.000 1.238 368 N CA -0.515 52.475 53.050 -0.100 0.000 0.972 368 N CB 0.721 39.118 38.487 -0.149 0.000 1.210 368 N HN 0.765 nan 8.380 nan 0.000 0.547 369 Q N 0.601 120.359 119.800 -0.070 0.000 2.337 369 Q HA 0.013 4.353 4.340 -0.000 0.000 0.270 369 Q C -0.553 175.410 176.000 -0.062 0.000 1.002 369 Q CA 0.089 55.861 55.803 -0.053 0.000 0.888 369 Q CB 0.165 28.879 28.738 -0.041 0.000 1.222 369 Q HN 0.432 nan 8.270 nan 0.000 0.400 370 N N 0.431 119.103 118.700 -0.047 0.000 2.815 370 N HA -0.178 4.562 4.740 -0.000 0.000 0.249 370 N C -1.246 174.228 175.510 -0.060 0.000 1.114 370 N CA 0.923 53.947 53.050 -0.042 0.000 0.717 370 N CB -1.646 36.819 38.487 -0.037 0.000 1.074 370 N HN 0.628 nan 8.380 nan 0.000 0.555 371 A N 0.813 123.595 122.820 -0.064 0.000 2.371 371 A HA 0.683 5.003 4.320 -0.000 0.000 0.257 371 A C 0.869 178.438 177.584 -0.026 0.000 1.089 371 A CA 0.240 52.247 52.037 -0.049 0.000 0.794 371 A CB 0.619 19.627 19.000 0.014 0.000 1.029 371 A HN 0.472 nan 8.150 nan 0.000 0.488 372 R N 0.576 121.093 120.500 0.028 0.000 2.709 372 R HA 0.586 4.926 4.340 -0.000 0.000 0.270 372 R C -2.144 174.216 176.300 0.100 0.000 1.038 372 R CA -0.932 55.176 56.100 0.013 0.000 0.872 372 R CB 0.812 31.138 30.300 0.044 0.000 1.259 372 R HN 0.441 nan 8.270 nan 0.000 0.473 373 L N 2.899 124.173 121.223 0.085 0.000 2.305 373 L HA 0.492 4.832 4.340 -0.000 0.000 0.284 373 L C -0.337 176.637 176.870 0.172 0.000 1.013 373 L CA -0.909 54.018 54.840 0.145 0.000 0.819 373 L CB 1.444 43.592 42.059 0.148 0.000 1.227 373 L HN 0.453 nan 8.230 nan 0.000 0.417 377 Y N 0.227 120.520 120.300 -0.011 0.000 2.536 377 Y HA 0.734 5.284 4.550 -0.000 0.000 0.347 377 Y C 0.216 176.347 175.900 0.385 0.000 1.000 377 Y CA -1.014 57.293 58.100 0.345 0.000 1.051 377 Y CB 2.773 41.568 38.460 0.560 0.000 1.259 377 Y HN 0.569 nan 8.280 nan 0.000 0.468 378 E N 2.442 122.957 120.200 0.526 0.000 2.199 378 E HA 0.498 4.848 4.350 -0.000 0.000 0.265 378 E C -1.907 174.829 176.600 0.225 0.000 0.882 378 E CA -0.677 55.861 56.400 0.229 0.000 0.759 378 E CB 1.396 31.261 29.700 0.275 0.000 1.148 378 E HN 0.579 nan 8.360 nan 0.000 0.412 379 Y N 1.684 121.957 120.300 -0.045 0.000 2.689 379 Y HA 0.628 5.178 4.550 -0.000 0.000 0.333 379 Y C -2.009 173.816 175.900 -0.123 0.000 1.208 379 Y CA -1.478 56.510 58.100 -0.186 0.000 1.055 379 Y CB 0.710 38.927 38.460 -0.406 0.000 1.304 379 Y HN 0.225 nan 8.280 nan 0.000 0.455 380 F N 0.697 120.769 119.950 0.203 0.000 2.492 380 F HA 0.816 5.343 4.527 -0.000 0.000 0.327 380 F C 0.254 176.112 175.800 0.098 0.000 1.079 380 F CA -0.827 57.236 58.000 0.105 0.000 0.967 380 F CB 2.159 41.165 39.000 0.010 0.000 1.169 380 F HN 0.767 nan 8.300 nan 0.000 0.472 381 T N 0.644 115.347 114.554 0.248 0.000 2.886 381 T HA 0.422 4.771 4.350 -0.000 0.000 0.330 381 T C -1.252 173.494 174.700 0.078 0.000 1.488 381 T CA -0.546 61.635 62.100 0.136 0.000 1.054 381 T CB 1.043 69.928 68.868 0.029 0.000 1.348 381 T HN 0.467 nan 8.240 nan 0.000 0.489 382 S N 2.365 118.111 115.700 0.077 0.000 2.545 382 S HA 0.293 4.763 4.470 -0.000 0.000 0.275 382 S C 1.463 176.087 174.600 0.040 0.000 1.299 382 S CA -0.721 57.505 58.200 0.042 0.000 1.048 382 S CB 1.224 64.451 63.200 0.046 0.000 0.938 382 S HN 0.676 nan 8.310 nan 0.000 0.496 383 R N 1.550 122.061 120.500 0.018 0.000 2.105 383 R HA -0.069 4.271 4.340 -0.000 0.000 0.239 383 R C 1.230 177.550 176.300 0.032 0.000 1.135 383 R CA 1.720 57.830 56.100 0.016 0.000 0.967 383 R CB -0.398 29.913 30.300 0.019 0.000 0.861 383 R HN 0.843 nan 8.270 nan 0.000 0.442 384 T N 0.000 114.574 114.554 0.034 0.000 3.816 384 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 384 T CA 0.000 62.121 62.100 0.036 0.000 1.349 384 T CB 0.000 68.885 68.868 0.029 0.000 0.612 384 T HN 0.000 nan 8.240 nan 0.000 0.658