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 1dm8_1_B DATA FIRST_RESID 69 DATA SEQUENCE KFPRVKNWEL GSITYDTLCA QSQQDGPCTP RRCLGSLVLP RKLQTRPSPG DATA SEQUENCE PPPAEQLLSQ ARDFINQYYS SIKRSGSQAH EERLQEVEAE VASTGTYHLR DATA SEQUENCE ESELVFGAKQ AWRNAPRCVG RIQWGKLQVF DARDCSSAQE MFTYICNHIK DATA SEQUENCE YATNRGNLRS AITVFPQRAP GRGDFRIWNS QLVRYAGYRQ QDGSVRGDPA DATA SEQUENCE NVEITELCIQ HGWTPGNGRF DVLPLLLQAP DEAPELFVLP PELVLEVPLE DATA SEQUENCE HPTLEWFAAL GLRWYALPAV SNMLLEIGGL EFSAAPFSGW YMSTEIGTRN DATA SEQUENCE LCDPHRYNIL EDVAVCMDLD TRTTSSLWKD KAAVEINLAV LHSFQLAKVT DATA SEQUENCE IVDHHAATVS FMKHLDNEQK ARGGCPADWA WIVPPISGSL TPVFHQEMVN DATA SEQUENCE YILSPAFRYQ PDPW 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 69 K HA 0.000 nan 4.320 nan 0.000 0.191 69 K C 0.000 176.321 176.600 -0.465 0.000 0.988 69 K CA 0.000 56.016 56.287 -0.452 0.000 0.838 69 K CB 0.000 32.105 32.500 -0.658 0.000 1.064 70 F N 5.142 125.109 119.950 0.029 0.000 2.405 70 F HA 0.417 4.945 4.527 0.002 0.000 0.355 70 F C -1.865 174.031 175.800 0.159 0.000 1.121 70 F CA -2.225 55.818 58.000 0.072 0.000 1.112 70 F CB 0.799 39.842 39.000 0.073 0.000 1.126 70 F HN -0.197 nan 8.300 nan 0.000 0.481 71 P HA 0.086 nan 4.420 nan 0.000 0.276 71 P C -0.794 176.569 177.300 0.105 0.000 1.230 71 P CA -0.525 62.674 63.100 0.166 0.000 0.776 71 P CB 1.193 32.956 31.700 0.105 0.000 0.888 72 R N 2.413 122.892 120.500 -0.035 0.000 2.340 72 R HA 0.391 4.733 4.340 0.002 0.000 0.300 72 R C -1.038 175.117 176.300 -0.241 0.000 1.069 72 R CA -0.478 55.356 56.100 -0.442 0.000 0.984 72 R CB 0.484 30.575 30.300 -0.349 0.000 1.003 72 R HN 0.275 nan 8.270 nan 0.000 0.459 73 V N 5.296 125.042 119.914 -0.280 0.000 2.409 73 V HA 0.337 4.459 4.120 0.002 0.000 0.291 73 V C -0.281 175.726 176.094 -0.145 0.000 1.020 73 V CA -0.717 61.513 62.300 -0.117 0.000 0.848 73 V CB 1.416 33.215 31.823 -0.040 0.000 0.990 73 V HN 0.751 nan 8.190 nan 0.000 0.430 74 K N 3.901 124.236 120.400 -0.109 0.000 2.203 74 K HA 0.447 4.768 4.320 0.002 0.000 0.251 74 K C -0.650 175.864 176.600 -0.143 0.000 0.944 74 K CA -0.715 55.432 56.287 -0.233 0.000 0.829 74 K CB 1.528 33.729 32.500 -0.498 0.000 1.125 74 K HN 0.710 nan 8.250 nan 0.000 0.430 75 N N 3.910 122.512 118.700 -0.164 0.000 2.444 75 N HA 0.106 4.847 4.740 0.002 0.000 0.262 75 N C -0.337 175.130 175.510 -0.072 0.000 0.974 75 N CA -0.387 52.677 53.050 0.024 0.000 0.933 75 N CB 0.516 39.035 38.487 0.054 0.000 1.137 75 N HN 0.664 nan 8.380 nan 0.000 0.498 76 W N 2.083 123.462 121.300 0.131 0.000 2.800 76 W HA 0.127 4.788 4.660 0.002 0.000 0.249 76 W C 2.030 178.600 176.519 0.085 0.000 1.294 76 W CA -0.090 57.325 57.345 0.116 0.000 1.402 76 W CB 0.242 29.795 29.460 0.155 0.000 1.126 76 W HN 0.669 nan 8.180 nan 0.000 0.652 77 E N 0.393 120.727 120.200 0.223 0.000 2.122 77 E HA -0.095 4.256 4.350 0.002 0.000 0.190 77 E C 1.698 178.316 176.600 0.030 0.000 0.977 77 E CA 0.975 57.403 56.400 0.046 0.000 0.820 77 E CB -0.132 29.538 29.700 -0.049 0.000 0.770 77 E HN 0.274 nan 8.360 nan 0.000 0.462 78 L N -1.218 120.023 121.223 0.030 0.000 2.515 78 L HA 0.342 4.683 4.340 0.002 0.000 0.223 78 L C 1.627 178.477 176.870 -0.035 0.000 1.079 78 L CA 0.478 55.318 54.840 0.000 0.000 0.857 78 L CB 0.574 42.636 42.059 0.006 0.000 1.050 78 L HN 0.416 nan 8.230 nan 0.000 0.476 79 G N 0.482 109.234 108.800 -0.080 0.000 2.176 79 G HA2 -0.294 3.667 3.960 0.002 0.000 0.253 79 G HA3 -0.294 3.667 3.960 0.002 0.000 0.253 79 G C 0.420 175.226 174.900 -0.157 0.000 0.979 79 G CA 0.339 45.349 45.100 -0.150 0.000 0.641 79 G HN 0.434 nan 8.290 nan 0.000 0.530 80 S N -0.337 115.295 115.700 -0.113 0.000 2.585 80 S HA 0.725 5.197 4.470 0.002 0.000 0.273 80 S C 0.115 174.632 174.600 -0.138 0.000 1.339 80 S CA -0.148 57.994 58.200 -0.097 0.000 1.028 80 S CB 1.965 65.132 63.200 -0.054 0.000 0.906 80 S HN 0.668 nan 8.310 nan 0.000 0.528 81 I N 1.306 121.802 120.570 -0.123 0.000 2.730 81 I HA 0.568 4.739 4.170 0.002 0.000 0.298 81 I C -0.109 175.927 176.117 -0.135 0.000 1.089 81 I CA -0.425 60.775 61.300 -0.168 0.000 1.041 81 I CB 2.738 40.623 38.000 -0.192 0.000 1.235 81 I HN 1.023 nan 8.210 nan 0.000 0.423 82 T N 0.523 114.959 114.554 -0.196 0.000 2.841 82 T HA 0.614 4.965 4.350 0.002 0.000 0.296 82 T C -1.413 173.133 174.700 -0.256 0.000 1.166 82 T CA -0.822 61.210 62.100 -0.114 0.000 1.007 82 T CB 1.573 70.412 68.868 -0.047 0.000 1.253 82 T HN 0.278 nan 8.240 nan 0.000 0.511 83 Y N 0.321 120.612 120.300 -0.015 0.000 2.350 83 Y HA 0.461 5.012 4.550 0.002 0.000 0.338 83 Y C -0.063 175.829 175.900 -0.013 0.000 0.961 83 Y CA -0.864 57.238 58.100 0.003 0.000 1.100 83 Y CB 1.766 40.219 38.460 -0.011 0.000 1.179 83 Y HN 0.733 nan 8.280 nan 0.000 0.454 84 D N 2.213 122.705 120.400 0.154 0.000 2.339 84 D HA 0.070 4.712 4.640 0.002 0.000 0.241 84 D C 0.668 177.027 176.300 0.098 0.000 1.183 84 D CA 0.180 54.245 54.000 0.108 0.000 0.859 84 D CB 1.220 42.101 40.800 0.135 0.000 1.067 84 D HN 0.795 nan 8.370 nan 0.000 0.484 85 T N 1.063 115.586 114.554 -0.053 0.000 3.001 85 T HA -0.030 4.321 4.350 0.002 0.000 0.251 85 T C 1.779 176.440 174.700 -0.065 0.000 1.040 85 T CA -0.275 61.697 62.100 -0.214 0.000 0.985 85 T CB 0.153 68.685 68.868 -0.561 0.000 1.011 85 T HN 0.255 nan 8.240 nan 0.000 0.509 86 L N 2.426 123.622 121.223 -0.046 0.000 2.093 86 L HA 0.082 4.424 4.340 0.002 0.000 0.208 86 L C 2.669 179.432 176.870 -0.179 0.000 1.085 86 L CA 1.337 56.160 54.840 -0.028 0.000 0.755 86 L CB -0.935 41.177 42.059 0.088 0.000 0.904 86 L HN 0.641 nan 8.230 nan 0.000 0.435 87 C N -1.072 117.914 119.300 -0.523 0.000 2.401 87 C HA -0.047 4.414 4.460 0.002 0.000 0.286 87 C C 2.777 177.546 174.990 -0.369 0.000 1.332 87 C CA 0.280 58.670 59.018 -1.047 0.000 1.795 87 C CB -2.263 24.844 27.740 -1.054 0.000 1.922 87 C HN 0.584 nan 8.230 nan 0.000 0.520 88 A N 0.005 122.763 122.820 -0.102 0.000 2.070 88 A HA -0.091 4.231 4.320 0.002 0.000 0.220 88 A C 2.228 179.809 177.584 -0.006 0.000 1.159 88 A CA 1.446 53.488 52.037 0.008 0.000 0.656 88 A CB -0.440 18.677 19.000 0.194 0.000 0.800 88 A HN 0.703 nan 8.150 nan 0.000 0.453 89 Q N 0.122 119.912 119.800 -0.016 0.000 2.444 89 Q HA 0.073 4.414 4.340 0.002 0.000 0.206 89 Q C 0.700 176.721 176.000 0.035 0.000 0.948 89 Q CA 0.318 56.134 55.803 0.021 0.000 0.946 89 Q CB -0.361 28.401 28.738 0.039 0.000 1.027 89 Q HN 0.508 nan 8.270 nan 0.000 0.513 90 S N 1.043 116.752 115.700 0.013 0.000 2.510 90 S HA 0.053 4.524 4.470 0.002 0.000 0.279 90 S C 0.764 175.388 174.600 0.041 0.000 1.284 90 S CA -0.084 58.152 58.200 0.060 0.000 1.059 90 S CB 0.503 63.749 63.200 0.076 0.000 0.901 90 S HN 0.079 nan 8.310 nan 0.000 0.491 91 Q N 2.249 122.079 119.800 0.050 0.000 2.189 91 Q HA 0.254 4.595 4.340 0.002 0.000 0.223 91 Q C -0.315 175.706 176.000 0.034 0.000 0.828 91 Q CA 0.038 55.863 55.803 0.037 0.000 0.967 91 Q CB 0.715 29.477 28.738 0.040 0.000 1.139 91 Q HN 0.763 nan 8.270 nan 0.000 0.497 92 Q N 1.029 120.853 119.800 0.041 0.000 2.353 92 Q HA 0.281 4.623 4.340 0.002 0.000 0.268 92 Q C -1.364 174.659 176.000 0.039 0.000 1.045 92 Q CA -0.337 55.486 55.803 0.034 0.000 0.811 92 Q CB 1.308 30.063 28.738 0.028 0.000 1.305 92 Q HN -0.168 nan 8.270 nan 0.000 0.447 93 D N 2.149 122.567 120.400 0.030 0.000 2.345 93 D HA 0.413 5.054 4.640 0.002 0.000 0.247 93 D C 0.092 176.412 176.300 0.033 0.000 1.108 93 D CA 0.268 54.286 54.000 0.031 0.000 0.894 93 D CB 1.307 42.120 40.800 0.021 0.000 1.203 93 D HN 0.678 nan 8.370 nan 0.000 0.430 94 G N 1.138 109.962 108.800 0.040 0.000 2.532 94 G HA2 0.329 4.291 3.960 0.002 0.000 0.291 94 G HA3 0.329 4.291 3.960 0.002 0.000 0.291 94 G C -1.454 173.466 174.900 0.033 0.000 1.349 94 G CA -0.697 44.426 45.100 0.040 0.000 1.038 94 G HN 0.341 nan 8.290 nan 0.000 0.518 95 P HA 0.119 nan 4.420 nan 0.000 0.240 95 P C 0.357 177.672 177.300 0.026 0.000 1.190 95 P CA 0.021 63.139 63.100 0.029 0.000 0.781 95 P CB 0.116 31.835 31.700 0.033 0.000 0.931 96 C N 0.813 120.131 119.300 0.029 0.000 2.520 96 C HA 0.604 5.065 4.460 0.002 0.000 0.376 96 C C 1.061 176.063 174.990 0.019 0.000 1.268 96 C CA 0.112 59.145 59.018 0.025 0.000 2.414 96 C CB 0.790 28.547 27.740 0.029 0.000 2.521 96 C HN 0.380 nan 8.230 nan 0.000 0.618 97 T N -1.955 112.608 114.554 0.014 0.000 2.816 97 T HA 0.411 4.762 4.350 0.002 0.000 0.299 97 T C -2.530 172.173 174.700 0.006 0.000 1.230 97 T CA -1.012 61.094 62.100 0.009 0.000 1.007 97 T CB 1.209 70.081 68.868 0.007 0.000 1.289 97 T HN 0.255 nan 8.240 nan 0.000 0.508 98 P HA 0.058 nan 4.420 nan 0.000 0.218 98 P C 1.494 178.794 177.300 0.000 0.000 1.148 98 P CA 0.804 63.905 63.100 0.001 0.000 0.822 98 P CB 0.131 31.830 31.700 -0.002 0.000 0.784 99 R N -0.794 119.706 120.500 0.001 0.000 2.090 99 R HA 0.012 4.353 4.340 0.002 0.000 0.228 99 R C 0.871 177.172 176.300 0.001 0.000 1.110 99 R CA 0.856 56.957 56.100 0.001 0.000 0.973 99 R CB -0.013 30.288 30.300 0.001 0.000 0.869 99 R HN 0.221 nan 8.270 nan 0.000 0.440 100 R N -0.310 120.192 120.500 0.003 0.000 2.643 100 R HA 0.179 4.520 4.340 0.002 0.000 0.269 100 R C -1.615 174.689 176.300 0.007 0.000 1.037 100 R CA -0.738 55.364 56.100 0.004 0.000 0.894 100 R CB 0.423 30.726 30.300 0.005 0.000 1.238 100 R HN 0.018 nan 8.270 nan 0.000 0.459 101 C N 3.814 123.118 119.300 0.007 0.000 2.330 101 C HA 0.576 5.037 4.460 0.002 0.000 0.344 101 C C 0.779 175.780 174.990 0.018 0.000 1.273 101 C CA -0.658 58.367 59.018 0.012 0.000 1.879 101 C CB -0.660 27.083 27.740 0.005 0.000 2.376 101 C HN 0.788 nan 8.230 nan 0.000 0.534 102 L N 5.634 126.873 121.223 0.026 0.000 3.066 102 L HA 0.277 4.618 4.340 0.002 0.000 0.265 102 L C 2.054 178.953 176.870 0.048 0.000 1.232 102 L CA 0.248 55.108 54.840 0.034 0.000 1.031 102 L CB -0.078 42.000 42.059 0.031 0.000 1.379 102 L HN 1.036 nan 8.230 nan 0.000 0.563 103 G N 0.447 109.277 108.800 0.050 0.000 2.479 103 G HA2 -0.274 3.687 3.960 0.002 0.000 0.220 103 G HA3 -0.274 3.687 3.960 0.002 0.000 0.220 103 G C 1.544 176.505 174.900 0.101 0.000 1.115 103 G CA 1.200 46.341 45.100 0.068 0.000 0.757 103 G HN 0.510 nan 8.290 nan 0.000 0.560 104 S N -0.662 115.097 115.700 0.099 0.000 2.593 104 S HA 0.342 4.813 4.470 0.002 0.000 0.217 104 S C 0.590 175.273 174.600 0.139 0.000 0.966 104 S CA -0.468 57.813 58.200 0.135 0.000 0.914 104 S CB 0.004 63.268 63.200 0.106 0.000 0.776 104 S HN -0.009 nan 8.310 nan 0.000 0.523 105 L N 2.016 123.304 121.223 0.109 0.000 2.380 105 L HA 0.287 4.628 4.340 0.002 0.000 0.273 105 L C 1.375 178.326 176.870 0.135 0.000 1.138 105 L CA 0.127 55.028 54.840 0.100 0.000 0.832 105 L CB 0.979 43.077 42.059 0.064 0.000 1.124 105 L HN -0.013 nan 8.230 nan 0.000 0.454 106 V N 3.326 123.329 119.914 0.149 0.000 2.283 106 V HA -0.069 4.052 4.120 0.002 0.000 0.243 106 V C 0.799 176.938 176.094 0.075 0.000 1.039 106 V CA 1.114 63.527 62.300 0.189 0.000 1.016 106 V CB -0.307 31.632 31.823 0.193 0.000 0.650 106 V HN 0.464 nan 8.190 nan 0.000 0.449 107 L N -0.173 121.053 121.223 0.006 0.000 2.330 107 L HA 0.481 4.822 4.340 0.002 0.000 0.271 107 L C -2.415 174.470 176.870 0.026 0.000 1.013 107 L CA -1.812 53.004 54.840 -0.041 0.000 0.816 107 L CB 1.158 43.135 42.059 -0.137 0.000 1.287 107 L HN 0.075 nan 8.230 nan 0.000 0.435 108 P HA 0.221 nan 4.420 nan 0.000 0.274 108 P C -0.183 177.130 177.300 0.022 0.000 1.231 108 P CA -0.543 62.587 63.100 0.050 0.000 0.790 108 P CB 0.958 32.700 31.700 0.070 0.000 0.951 109 R N 1.677 122.188 120.500 0.017 0.000 2.189 109 R HA 0.076 4.417 4.340 0.002 0.000 0.203 109 R C 1.373 177.676 176.300 0.005 0.000 1.012 109 R CA 1.438 57.542 56.100 0.007 0.000 1.015 109 R CB 0.051 30.355 30.300 0.008 0.000 0.938 109 R HN 0.216 nan 8.270 nan 0.000 0.472 110 K N -1.734 118.672 120.400 0.011 0.000 2.603 110 K HA 0.212 4.533 4.320 0.002 0.000 0.205 110 K C 0.230 176.837 176.600 0.013 0.000 1.500 110 K CA 0.192 56.484 56.287 0.008 0.000 1.059 110 K CB 0.193 32.697 32.500 0.007 0.000 1.416 110 K HN 0.043 nan 8.250 nan 0.000 0.562 111 L N 2.745 123.981 121.223 0.022 0.000 2.962 111 L HA 0.098 4.439 4.340 0.002 0.000 0.263 111 L C 0.866 177.755 176.870 0.031 0.000 1.152 111 L CA 0.783 55.638 54.840 0.025 0.000 0.954 111 L CB -1.593 40.484 42.059 0.031 0.000 1.213 111 L HN 0.287 nan 8.230 nan 0.000 0.422 112 Q N -0.187 119.628 119.800 0.025 0.000 2.492 112 Q HA 0.141 4.482 4.340 0.002 0.000 0.184 112 Q C 0.166 176.174 176.000 0.014 0.000 1.126 112 Q CA 0.551 56.370 55.803 0.026 0.000 1.196 112 Q CB 0.512 29.254 28.738 0.005 0.000 1.240 112 Q HN 0.203 nan 8.270 nan 0.000 0.651 113 T N 1.901 116.460 114.554 0.007 0.000 3.401 113 T HA 0.352 4.703 4.350 0.002 0.000 0.341 113 T C -0.666 174.025 174.700 -0.016 0.000 1.674 113 T CA -0.562 61.535 62.100 -0.004 0.000 1.600 113 T CB 0.160 69.030 68.868 0.002 0.000 0.974 113 T HN 0.315 nan 8.240 nan 0.000 0.672 114 R N 2.291 122.781 120.500 -0.017 0.000 2.767 114 R HA 0.039 4.380 4.340 0.002 0.000 0.264 114 R C -2.089 174.196 176.300 -0.025 0.000 0.987 114 R CA -0.827 55.259 56.100 -0.023 0.000 1.114 114 R CB -0.318 29.972 30.300 -0.018 0.000 0.976 114 R HN 0.296 nan 8.270 nan 0.000 0.437 115 P HA -0.107 nan 4.420 nan 0.000 0.271 115 P C -0.084 177.204 177.300 -0.021 0.000 1.212 115 P CA 0.529 63.614 63.100 -0.024 0.000 0.788 115 P CB 0.424 32.111 31.700 -0.022 0.000 0.865 116 S N 0.804 116.492 115.700 -0.019 0.000 2.558 116 S HA 0.273 4.744 4.470 0.002 0.000 0.238 116 S C -1.568 173.024 174.600 -0.013 0.000 1.183 116 S CA -1.094 57.094 58.200 -0.020 0.000 1.185 116 S CB -0.331 62.853 63.200 -0.028 0.000 1.003 116 S HN 0.303 nan 8.310 nan 0.000 0.478 117 P HA 0.230 nan 4.420 nan 0.000 0.231 117 P C 0.795 178.094 177.300 -0.002 0.000 1.168 117 P CA 0.448 63.545 63.100 -0.004 0.000 0.779 117 P CB 0.056 31.754 31.700 -0.003 0.000 0.844 118 G N 1.082 109.879 108.800 -0.005 0.000 2.537 118 G HA2 0.546 4.507 3.960 0.002 0.000 0.308 118 G HA3 0.546 4.507 3.960 0.002 0.000 0.308 118 G C -2.960 171.937 174.900 -0.005 0.000 1.237 118 G CA -1.683 43.415 45.100 -0.002 0.000 0.968 118 G HN -0.137 nan 8.290 nan 0.000 0.481 119 P HA 0.237 nan 4.420 nan 0.000 0.276 119 P C -2.417 174.882 177.300 -0.002 0.000 1.235 119 P CA -0.949 62.150 63.100 -0.001 0.000 0.772 119 P CB 0.931 32.635 31.700 0.007 0.000 0.871 120 P HA 0.201 nan 4.420 nan 0.000 0.267 120 P C -2.443 174.861 177.300 0.007 0.000 1.205 120 P CA -1.442 61.657 63.100 -0.003 0.000 0.765 120 P CB -0.900 30.794 31.700 -0.009 0.000 0.828 121 P HA -0.135 nan 4.420 nan 0.000 0.252 121 P C 1.122 178.430 177.300 0.014 0.000 1.147 121 P CA 0.626 63.731 63.100 0.009 0.000 0.779 121 P CB -0.103 31.601 31.700 0.007 0.000 0.733 122 A N 5.132 127.961 122.820 0.015 0.000 1.958 122 A HA -0.279 4.042 4.320 0.002 0.000 0.221 122 A C 2.038 179.630 177.584 0.013 0.000 1.178 122 A CA 1.605 53.652 52.037 0.017 0.000 0.642 122 A CB -0.555 18.453 19.000 0.015 0.000 0.816 122 A HN 0.500 nan 8.150 nan 0.000 0.453 123 E N -0.812 119.394 120.200 0.010 0.000 2.047 123 E HA -0.243 4.109 4.350 0.002 0.000 0.191 123 E C 2.209 178.816 176.600 0.012 0.000 0.987 123 E CA 1.576 57.981 56.400 0.008 0.000 0.799 123 E CB -0.424 29.279 29.700 0.006 0.000 0.752 123 E HN 0.872 nan 8.360 nan 0.000 0.449 124 Q N 0.801 120.610 119.800 0.015 0.000 2.030 124 Q HA -0.183 4.158 4.340 0.002 0.000 0.204 124 Q C 2.295 178.312 176.000 0.029 0.000 0.986 124 Q CA 1.433 57.247 55.803 0.019 0.000 0.843 124 Q CB -0.291 28.457 28.738 0.016 0.000 0.904 124 Q HN 0.184 nan 8.270 nan 0.000 0.420 125 L N 0.096 121.338 121.223 0.033 0.000 2.012 125 L HA -0.148 4.193 4.340 0.002 0.000 0.210 125 L C 2.139 179.040 176.870 0.052 0.000 1.073 125 L CA 1.699 56.573 54.840 0.057 0.000 0.748 125 L CB -0.865 41.236 42.059 0.069 0.000 0.891 125 L HN 0.476 nan 8.230 nan 0.000 0.431 126 L N -0.645 120.588 121.223 0.017 0.000 2.046 126 L HA -0.176 4.165 4.340 0.002 0.000 0.208 126 L C 2.772 179.639 176.870 -0.005 0.000 1.077 126 L CA 2.062 56.889 54.840 -0.022 0.000 0.747 126 L CB -0.799 41.245 42.059 -0.026 0.000 0.896 126 L HN 0.617 nan 8.230 nan 0.000 0.432 127 S N -1.615 114.096 115.700 0.017 0.000 2.368 127 S HA -0.253 4.218 4.470 0.002 0.000 0.225 127 S C 1.893 176.528 174.600 0.059 0.000 1.030 127 S CA 1.226 59.444 58.200 0.030 0.000 0.999 127 S CB -0.660 62.557 63.200 0.028 0.000 0.844 127 S HN 0.640 nan 8.310 nan 0.000 0.459 128 Q N 1.118 120.961 119.800 0.072 0.000 2.119 128 Q HA 0.099 4.440 4.340 0.002 0.000 0.201 128 Q C 2.619 178.720 176.000 0.168 0.000 0.972 128 Q CA 1.310 57.179 55.803 0.109 0.000 0.847 128 Q CB -0.510 28.284 28.738 0.093 0.000 0.903 128 Q HN 0.775 nan 8.270 nan 0.000 0.433 129 A N 1.257 124.156 122.820 0.132 0.000 1.898 129 A HA -0.183 4.138 4.320 0.002 0.000 0.216 129 A C 1.988 179.649 177.584 0.127 0.000 1.181 129 A CA 1.225 53.336 52.037 0.122 0.000 0.620 129 A CB -0.312 18.538 19.000 -0.251 0.000 0.819 129 A HN 0.197 nan 8.150 nan 0.000 0.442 130 R N -0.568 119.971 120.500 0.064 0.000 2.075 130 R HA -0.120 4.221 4.340 0.002 0.000 0.232 130 R C 2.020 178.400 176.300 0.133 0.000 1.126 130 R CA 1.468 57.614 56.100 0.075 0.000 0.963 130 R CB -0.455 29.864 30.300 0.032 0.000 0.858 130 R HN 0.710 nan 8.270 nan 0.000 0.435 131 D N 0.315 120.800 120.400 0.142 0.000 2.092 131 D HA -0.234 4.407 4.640 0.002 0.000 0.193 131 D C 1.642 178.061 176.300 0.199 0.000 0.994 131 D CA 1.207 55.298 54.000 0.152 0.000 0.828 131 D CB -0.092 40.796 40.800 0.148 0.000 0.963 131 D HN 0.133 nan 8.370 nan 0.000 0.450 132 F N 0.860 120.900 119.950 0.149 0.000 2.102 132 F HA -0.113 4.415 4.527 0.002 0.000 0.298 132 F C 2.006 177.949 175.800 0.237 0.000 1.105 132 F CA 1.160 59.283 58.000 0.206 0.000 1.239 132 F CB -0.287 38.842 39.000 0.214 0.000 0.991 132 F HN 0.017 nan 8.300 nan 0.000 0.474 133 I N 0.864 121.480 120.570 0.076 0.000 2.208 133 I HA -0.319 3.852 4.170 0.002 0.000 0.245 133 I C 2.061 178.226 176.117 0.079 0.000 1.097 133 I CA 1.255 62.599 61.300 0.073 0.000 1.363 133 I CB -1.644 36.504 38.000 0.248 0.000 1.051 133 I HN 0.256 nan 8.210 nan 0.000 0.413 134 N N 0.928 119.695 118.700 0.112 0.000 2.084 134 N HA -0.191 4.550 4.740 0.002 0.000 0.190 134 N C 1.852 177.302 175.510 -0.101 0.000 1.030 134 N CA 1.147 54.240 53.050 0.073 0.000 0.849 134 N CB -0.339 38.228 38.487 0.134 0.000 1.012 134 N HN 0.497 nan 8.380 nan 0.000 0.423 135 Q N -0.292 119.454 119.800 -0.090 0.000 2.045 135 Q HA -0.216 4.125 4.340 0.002 0.000 0.206 135 Q C 1.917 177.659 176.000 -0.430 0.000 0.991 135 Q CA 1.586 57.326 55.803 -0.105 0.000 0.851 135 Q CB -0.362 28.440 28.738 0.106 0.000 0.911 135 Q HN 0.445 nan 8.270 nan 0.000 0.418 136 Y N 0.142 119.947 120.300 -0.824 0.000 2.081 136 Y HA -0.326 4.225 4.550 0.002 0.000 0.280 136 Y C 1.844 177.185 175.900 -0.932 0.000 1.163 136 Y CA 1.830 59.169 58.100 -1.267 0.000 1.135 136 Y CB -0.622 37.198 38.460 -1.066 0.000 0.970 136 Y HN 0.127 nan 8.280 nan 0.000 0.498 137 Y N -0.303 119.555 120.300 -0.736 0.000 2.333 137 Y HA -0.207 4.344 4.550 0.002 0.000 0.290 137 Y C 2.750 178.292 175.900 -0.596 0.000 1.144 137 Y CA 1.632 59.288 58.100 -0.740 0.000 1.228 137 Y CB -0.456 37.498 38.460 -0.842 0.000 0.985 137 Y HN 0.107 nan 8.280 nan 0.000 0.542 138 S N -0.696 114.771 115.700 -0.388 0.000 2.368 138 S HA -0.226 4.245 4.470 0.002 0.000 0.224 138 S C 2.285 176.705 174.600 -0.299 0.000 1.029 138 S CA 1.317 59.364 58.200 -0.255 0.000 0.988 138 S CB -0.644 62.459 63.200 -0.161 0.000 0.838 138 S HN 0.636 nan 8.310 nan 0.000 0.462 139 S N 2.595 118.017 115.700 -0.465 0.000 2.400 139 S HA -0.102 4.369 4.470 0.002 0.000 0.232 139 S C 1.534 175.896 174.600 -0.397 0.000 1.025 139 S CA 1.257 59.209 58.200 -0.413 0.000 0.993 139 S CB -0.811 61.980 63.200 -0.680 0.000 0.808 139 S HN 0.712 nan 8.310 nan 0.000 0.478 140 I N -2.659 117.577 120.570 -0.556 0.000 3.884 140 I HA 0.487 4.659 4.170 0.002 0.000 0.330 140 I C -0.008 175.960 176.117 -0.247 0.000 1.451 140 I CA -0.688 60.367 61.300 -0.409 0.000 1.165 140 I CB -0.501 37.169 38.000 -0.550 0.000 1.097 140 I HN -0.028 nan 8.210 nan 0.000 0.404 141 K N 1.137 121.415 120.400 -0.205 0.000 3.020 141 K HA -0.164 4.157 4.320 0.002 0.000 0.266 141 K C 0.121 176.671 176.600 -0.084 0.000 1.067 141 K CA 0.695 56.910 56.287 -0.121 0.000 0.780 141 K CB -1.180 31.268 32.500 -0.086 0.000 1.220 141 K HN 0.429 nan 8.250 nan 0.000 0.483 142 R N -0.337 120.114 120.500 -0.082 0.000 2.748 142 R HA 0.175 4.516 4.340 0.002 0.000 0.395 142 R C -0.056 176.268 176.300 0.040 0.000 1.128 142 R CA -0.308 55.799 56.100 0.012 0.000 1.042 142 R CB 0.719 31.070 30.300 0.086 0.000 1.392 142 R HN 0.177 nan 8.270 nan 0.000 0.582 143 S N -0.224 115.464 115.700 -0.020 0.000 2.568 143 S HA 0.256 4.727 4.470 0.002 0.000 0.282 143 S C 1.313 175.985 174.600 0.119 0.000 1.338 143 S CA 1.198 59.401 58.200 0.006 0.000 1.045 143 S CB 0.390 63.585 63.200 -0.009 0.000 0.873 143 S HN 0.760 nan 8.310 nan 0.000 0.516 144 G N 2.732 111.729 108.800 0.328 0.000 2.212 144 G HA2 -0.288 3.673 3.960 0.002 0.000 0.267 144 G HA3 -0.288 3.673 3.960 0.002 0.000 0.267 144 G C 0.271 175.185 174.900 0.023 0.000 1.002 144 G CA 0.730 45.891 45.100 0.101 0.000 0.729 144 G HN 1.456 nan 8.290 nan 0.000 0.517 145 S N -1.620 114.101 115.700 0.034 0.000 2.661 145 S HA 0.531 5.002 4.470 0.002 0.000 0.265 145 S C 1.310 175.880 174.600 -0.049 0.000 1.225 145 S CA 0.607 58.805 58.200 -0.004 0.000 0.986 145 S CB 1.384 64.600 63.200 0.025 0.000 1.008 145 S HN 0.447 nan 8.310 nan 0.000 0.565 146 Q N 0.817 120.597 119.800 -0.034 0.000 2.046 146 Q HA 0.036 4.377 4.340 0.002 0.000 0.200 146 Q C 2.229 178.189 176.000 -0.066 0.000 0.975 146 Q CA 2.189 57.965 55.803 -0.045 0.000 0.836 146 Q CB -1.208 27.519 28.738 -0.018 0.000 0.896 146 Q HN 0.904 nan 8.270 nan 0.000 0.428 147 A N -0.012 122.787 122.820 -0.035 0.000 1.917 147 A HA -0.293 4.028 4.320 0.002 0.000 0.219 147 A C 2.118 179.545 177.584 -0.262 0.000 1.182 147 A CA 1.940 53.964 52.037 -0.021 0.000 0.633 147 A CB -1.255 17.841 19.000 0.160 0.000 0.819 147 A HN 0.760 nan 8.150 nan 0.000 0.448 148 H N -0.498 118.118 119.070 -0.756 0.000 2.290 148 H HA -0.143 4.414 4.556 0.002 0.000 0.298 148 H C 2.087 177.113 175.328 -0.504 0.000 1.087 148 H CA 1.577 56.910 56.048 -1.193 0.000 1.291 148 H CB 0.014 29.241 29.762 -0.892 0.000 1.369 148 H HN 0.632 nan 8.280 nan 0.000 0.492 149 E N 0.203 120.193 120.200 -0.349 0.000 2.110 149 E HA -0.165 4.186 4.350 0.002 0.000 0.193 149 E C 2.153 178.648 176.600 -0.175 0.000 0.988 149 E CA 1.069 57.291 56.400 -0.298 0.000 0.804 149 E CB 0.014 29.590 29.700 -0.207 0.000 0.745 149 E HN 0.688 nan 8.360 nan 0.000 0.458 150 E N 0.595 120.722 120.200 -0.121 0.000 2.107 150 E HA -0.155 4.196 4.350 0.002 0.000 0.191 150 E C 2.155 178.742 176.600 -0.022 0.000 0.982 150 E CA 0.549 56.916 56.400 -0.055 0.000 0.809 150 E CB -0.063 29.623 29.700 -0.024 0.000 0.756 150 E HN -0.027 nan 8.360 nan 0.000 0.459 151 R N 1.580 122.074 120.500 -0.010 0.000 2.092 151 R HA -0.066 4.275 4.340 0.002 0.000 0.231 151 R C 2.188 178.514 176.300 0.044 0.000 1.119 151 R CA 1.008 57.155 56.100 0.077 0.000 0.970 151 R CB -0.652 29.779 30.300 0.219 0.000 0.864 151 R HN 0.142 nan 8.270 nan 0.000 0.440 152 L N 0.159 121.373 121.223 -0.015 0.000 2.046 152 L HA -0.199 4.142 4.340 0.002 0.000 0.208 152 L C 2.499 179.338 176.870 -0.052 0.000 1.077 152 L CA 1.715 56.529 54.840 -0.042 0.000 0.747 152 L CB -0.408 41.581 42.059 -0.116 0.000 0.896 152 L HN 0.317 nan 8.230 nan 0.000 0.432 153 Q N -0.426 119.343 119.800 -0.051 0.000 2.167 153 Q HA -0.203 4.138 4.340 0.002 0.000 0.202 153 Q C 2.070 178.061 176.000 -0.016 0.000 0.970 153 Q CA 1.306 57.086 55.803 -0.038 0.000 0.855 153 Q CB -0.038 28.677 28.738 -0.037 0.000 0.911 153 Q HN 0.549 nan 8.270 nan 0.000 0.438 154 E N 0.076 120.278 120.200 0.004 0.000 2.031 154 E HA -0.166 4.185 4.350 0.002 0.000 0.193 154 E C 2.162 178.775 176.600 0.022 0.000 0.994 154 E CA 1.428 57.846 56.400 0.030 0.000 0.800 154 E CB -0.061 29.676 29.700 0.062 0.000 0.752 154 E HN 0.115 nan 8.360 nan 0.000 0.447 155 V N 2.166 122.072 119.914 -0.013 0.000 2.282 155 V HA -0.291 3.830 4.120 0.002 0.000 0.249 155 V C 2.229 178.252 176.094 -0.118 0.000 1.057 155 V CA 1.978 64.204 62.300 -0.124 0.000 1.032 155 V CB -0.564 31.097 31.823 -0.270 0.000 0.645 155 V HN 0.261 nan 8.190 nan 0.000 0.447 156 E N 0.211 120.360 120.200 -0.084 0.000 2.077 156 E HA -0.218 4.133 4.350 0.002 0.000 0.193 156 E C 2.366 178.953 176.600 -0.021 0.000 0.989 156 E CA 1.453 57.819 56.400 -0.058 0.000 0.800 156 E CB -0.353 29.318 29.700 -0.047 0.000 0.746 156 E HN 0.612 nan 8.360 nan 0.000 0.452 157 A N 1.518 124.335 122.820 -0.005 0.000 1.902 157 A HA -0.244 4.077 4.320 0.002 0.000 0.217 157 A C 2.079 179.684 177.584 0.035 0.000 1.181 157 A CA 1.739 53.784 52.037 0.014 0.000 0.623 157 A CB -0.467 18.544 19.000 0.019 0.000 0.818 157 A HN 0.247 nan 8.150 nan 0.000 0.443 158 E N -0.437 119.796 120.200 0.055 0.000 2.072 158 E HA -0.112 4.240 4.350 0.002 0.000 0.191 158 E C 1.896 178.555 176.600 0.098 0.000 0.985 158 E CA 1.285 57.745 56.400 0.100 0.000 0.801 158 E CB -0.086 29.717 29.700 0.171 0.000 0.750 158 E HN 0.314 nan 8.360 nan 0.000 0.452 159 V N 1.122 121.079 119.914 0.071 0.000 2.307 159 V HA -0.256 3.865 4.120 0.002 0.000 0.245 159 V C 2.415 178.535 176.094 0.044 0.000 1.045 159 V CA 1.755 64.094 62.300 0.066 0.000 1.024 159 V CB -0.767 31.070 31.823 0.024 0.000 0.651 159 V HN 0.433 nan 8.190 nan 0.000 0.449 160 A N -0.445 122.391 122.820 0.026 0.000 1.940 160 A HA -0.221 4.100 4.320 0.002 0.000 0.219 160 A C 2.413 180.013 177.584 0.027 0.000 1.176 160 A CA 2.535 54.584 52.037 0.021 0.000 0.631 160 A CB -0.494 18.513 19.000 0.012 0.000 0.814 160 A HN 0.540 nan 8.150 nan 0.000 0.446 161 S N -1.764 113.958 115.700 0.037 0.000 2.483 161 S HA -0.005 4.466 4.470 0.002 0.000 0.221 161 S C 1.850 176.477 174.600 0.046 0.000 1.030 161 S CA 1.237 59.459 58.200 0.038 0.000 0.925 161 S CB 0.097 63.321 63.200 0.039 0.000 0.795 161 S HN 0.889 nan 8.310 nan 0.000 0.511 162 T N -2.507 112.083 114.554 0.060 0.000 2.959 162 T HA 0.452 4.804 4.350 0.002 0.000 0.254 162 T C 1.438 176.174 174.700 0.060 0.000 1.003 162 T CA 0.841 62.981 62.100 0.067 0.000 0.950 162 T CB 0.468 69.394 68.868 0.097 0.000 1.090 162 T HN 0.500 nan 8.240 nan 0.000 0.503 163 G N 0.304 109.139 108.800 0.058 0.000 2.157 163 G HA2 -0.148 3.813 3.960 0.002 0.000 0.248 163 G HA3 -0.148 3.813 3.960 0.002 0.000 0.248 163 G C 0.162 175.095 174.900 0.055 0.000 0.979 163 G CA 0.567 45.696 45.100 0.047 0.000 0.650 163 G HN 1.073 nan 8.290 nan 0.000 0.529 164 T N -1.589 113.014 114.554 0.082 0.000 2.661 164 T HA 0.691 5.042 4.350 0.002 0.000 0.305 164 T C -1.177 173.633 174.700 0.183 0.000 1.441 164 T CA 0.446 62.597 62.100 0.084 0.000 0.999 164 T CB 1.289 70.129 68.868 -0.047 0.000 1.650 164 T HN 1.611 nan 8.240 nan 0.000 0.489 165 Y N -0.813 119.406 120.300 -0.135 0.000 2.853 165 Y HA 0.846 5.397 4.550 0.002 0.000 0.326 165 Y C -1.625 174.087 175.900 -0.313 0.000 1.384 165 Y CA -1.197 56.867 58.100 -0.060 0.000 1.077 165 Y CB 0.892 39.366 38.460 0.023 0.000 1.395 165 Y HN 0.791 nan 8.280 nan 0.000 0.451 166 H N 0.399 119.479 119.070 0.016 0.000 2.821 166 H HA 0.649 5.206 4.556 0.002 0.000 0.373 166 H C -1.118 174.232 175.328 0.037 0.000 1.165 166 H CA -0.822 55.173 56.048 -0.088 0.000 1.154 166 H CB 2.041 31.805 29.762 0.004 0.000 1.765 166 H HN 0.710 nan 8.280 nan 0.000 0.549 167 L N 1.834 123.113 121.223 0.093 0.000 2.379 167 L HA 0.497 4.838 4.340 0.002 0.000 0.269 167 L C 0.505 177.440 176.870 0.108 0.000 1.084 167 L CA -0.860 54.058 54.840 0.131 0.000 0.802 167 L CB 0.700 42.803 42.059 0.074 0.000 1.175 167 L HN 0.390 nan 8.230 nan 0.000 0.448 168 R N 0.958 121.502 120.500 0.073 0.000 2.459 168 R HA 0.079 4.420 4.340 0.002 0.000 0.281 168 R C 0.856 177.148 176.300 -0.013 0.000 1.050 168 R CA -0.411 55.705 56.100 0.026 0.000 1.055 168 R CB 1.374 31.674 30.300 -0.001 0.000 1.045 168 R HN 0.692 nan 8.270 nan 0.000 0.495 169 E N 1.479 121.671 120.200 -0.012 0.000 2.086 169 E HA -0.281 4.070 4.350 0.002 0.000 0.200 169 E C 1.487 178.069 176.600 -0.030 0.000 1.012 169 E CA 2.478 58.860 56.400 -0.029 0.000 0.812 169 E CB 0.098 29.786 29.700 -0.020 0.000 0.743 169 E HN 0.677 nan 8.360 nan 0.000 0.453 170 S N -0.134 115.548 115.700 -0.029 0.000 2.399 170 S HA -0.196 4.275 4.470 0.002 0.000 0.231 170 S C 1.740 176.322 174.600 -0.031 0.000 1.022 170 S CA 1.361 59.562 58.200 0.002 0.000 0.983 170 S CB -0.297 62.923 63.200 0.033 0.000 0.803 170 S HN 0.386 nan 8.310 nan 0.000 0.480 171 E N 0.810 120.884 120.200 -0.209 0.000 2.107 171 E HA 0.013 4.364 4.350 0.002 0.000 0.191 171 E C 2.030 178.751 176.600 0.202 0.000 0.982 171 E CA 0.920 57.214 56.400 -0.178 0.000 0.809 171 E CB -0.315 29.283 29.700 -0.169 0.000 0.756 171 E HN 0.441 nan 8.360 nan 0.000 0.459 172 L N 0.962 122.211 121.223 0.044 0.000 2.046 172 L HA -0.165 4.177 4.340 0.002 0.000 0.208 172 L C 2.205 179.062 176.870 -0.023 0.000 1.077 172 L CA 1.386 56.192 54.840 -0.057 0.000 0.747 172 L CB -0.300 41.662 42.059 -0.162 0.000 0.896 172 L HN -0.058 nan 8.230 nan 0.000 0.432 173 V N -0.446 119.483 119.914 0.024 0.000 2.332 173 V HA -0.316 3.805 4.120 0.002 0.000 0.248 173 V C 2.326 178.507 176.094 0.144 0.000 1.055 173 V CA 2.173 64.500 62.300 0.045 0.000 1.038 173 V CB -0.932 30.922 31.823 0.051 0.000 0.651 173 V HN 0.594 nan 8.190 nan 0.000 0.450 174 F N 1.903 121.938 119.950 0.141 0.000 2.186 174 F HA 0.047 4.576 4.527 0.002 0.000 0.299 174 F C 2.121 178.075 175.800 0.257 0.000 1.090 174 F CA 1.521 59.661 58.000 0.232 0.000 1.307 174 F CB -0.767 38.444 39.000 0.351 0.000 1.019 174 F HN 0.112 nan 8.300 nan 0.000 0.489 175 G N -0.052 108.828 108.800 0.133 0.000 2.402 175 G HA2 -0.174 3.787 3.960 0.002 0.000 0.216 175 G HA3 -0.174 3.787 3.960 0.002 0.000 0.216 175 G C 1.846 176.624 174.900 -0.202 0.000 1.162 175 G CA 0.777 45.854 45.100 -0.038 0.000 0.777 175 G HN 0.608 nan 8.290 nan 0.000 0.539 176 A N 1.202 123.931 122.820 -0.151 0.000 1.865 176 A HA -0.076 4.245 4.320 0.002 0.000 0.217 176 A C 2.300 179.882 177.584 -0.003 0.000 1.191 176 A CA 2.122 54.083 52.037 -0.127 0.000 0.623 176 A CB -0.478 18.482 19.000 -0.067 0.000 0.826 176 A HN 0.373 nan 8.150 nan 0.000 0.444 177 K N -0.802 119.633 120.400 0.058 0.000 2.103 177 K HA -0.169 4.153 4.320 0.002 0.000 0.207 177 K C 2.278 178.931 176.600 0.089 0.000 1.048 177 K CA 1.454 57.874 56.287 0.222 0.000 0.930 177 K CB -0.154 32.517 32.500 0.284 0.000 0.716 177 K HN 0.413 nan 8.250 nan 0.000 0.444 178 Q N 0.058 119.728 119.800 -0.216 0.000 2.167 178 Q HA -0.051 4.290 4.340 0.002 0.000 0.202 178 Q C 2.184 178.045 176.000 -0.233 0.000 0.970 178 Q CA 1.376 56.966 55.803 -0.354 0.000 0.855 178 Q CB -0.214 28.224 28.738 -0.499 0.000 0.911 178 Q HN 0.340 nan 8.270 nan 0.000 0.438 179 A N 0.317 123.012 122.820 -0.209 0.000 1.877 179 A HA -0.185 4.136 4.320 0.002 0.000 0.216 179 A C 1.826 179.449 177.584 0.066 0.000 1.186 179 A CA 1.384 53.259 52.037 -0.271 0.000 0.620 179 A CB -0.976 17.545 19.000 -0.799 0.000 0.822 179 A HN 0.524 nan 8.150 nan 0.000 0.443 180 W N 1.024 122.343 121.300 0.032 0.000 2.354 180 W HA -0.153 4.508 4.660 0.002 0.000 0.315 180 W C 2.362 178.838 176.519 -0.072 0.000 1.206 180 W CA 1.649 59.033 57.345 0.065 0.000 1.290 180 W CB -0.795 28.694 29.460 0.049 0.000 1.152 180 W HN 0.379 nan 8.180 nan 0.000 0.489 181 R N 0.325 120.747 120.500 -0.131 0.000 2.117 181 R HA -0.206 4.135 4.340 0.002 0.000 0.243 181 R C 1.573 177.704 176.300 -0.282 0.000 1.143 181 R CA 1.950 57.746 56.100 -0.507 0.000 0.968 181 R CB -0.600 29.082 30.300 -1.031 0.000 0.863 181 R HN 0.152 nan 8.270 nan 0.000 0.444 182 N N 0.246 118.841 118.700 -0.175 0.000 2.412 182 N HA 0.017 4.758 4.740 0.002 0.000 0.184 182 N C -0.271 175.194 175.510 -0.074 0.000 1.101 182 N CA 0.622 53.594 53.050 -0.130 0.000 0.881 182 N CB 0.409 38.823 38.487 -0.120 0.000 0.969 182 N HN 0.163 nan 8.380 nan 0.000 0.459 183 A N 2.375 125.200 122.820 0.008 0.000 2.500 183 A HA 0.195 4.516 4.320 0.002 0.000 0.285 183 A C -1.210 176.357 177.584 -0.029 0.000 1.183 183 A CA -0.865 51.178 52.037 0.009 0.000 0.851 183 A CB 0.226 19.275 19.000 0.082 0.000 1.091 183 A HN 0.013 nan 8.150 nan 0.000 0.521 184 P HA -0.124 nan 4.420 nan 0.000 0.219 184 P C 1.059 178.313 177.300 -0.076 0.000 1.146 184 P CA 1.145 64.191 63.100 -0.091 0.000 0.808 184 P CB 0.151 31.762 31.700 -0.149 0.000 0.779 185 R N -2.139 118.280 120.500 -0.135 0.000 2.317 185 R HA 0.151 4.492 4.340 0.002 0.000 0.208 185 R C 0.146 176.466 176.300 0.033 0.000 0.914 185 R CA -0.148 55.894 56.100 -0.096 0.000 1.060 185 R CB -0.437 29.606 30.300 -0.429 0.000 1.015 185 R HN 0.172 nan 8.270 nan 0.000 0.498 186 C N 0.498 119.804 119.300 0.010 0.000 2.265 186 C HA 0.221 4.683 4.460 0.002 0.000 0.332 186 C C 1.845 176.819 174.990 -0.026 0.000 1.248 186 C CA -0.670 58.379 59.018 0.051 0.000 1.727 186 C CB 0.611 28.441 27.740 0.151 0.000 2.348 186 C HN 0.286 nan 8.230 nan 0.000 0.519 187 V N 5.837 125.688 119.914 -0.105 0.000 3.306 187 V HA 0.206 4.327 4.120 0.002 0.000 0.264 187 V C 1.746 177.867 176.094 0.045 0.000 1.149 187 V CA 2.059 64.191 62.300 -0.279 0.000 1.143 187 V CB -0.064 31.596 31.823 -0.272 0.000 0.767 187 V HN 1.054 nan 8.190 nan 0.000 0.476 188 G N -0.579 108.278 108.800 0.096 0.000 3.518 188 G HA2 0.077 4.038 3.960 0.002 0.000 0.273 188 G HA3 0.077 4.038 3.960 0.002 0.000 0.273 188 G C 1.122 176.077 174.900 0.091 0.000 1.199 188 G CA -0.387 44.785 45.100 0.119 0.000 0.899 188 G HN 0.425 nan 8.290 nan 0.000 0.533 189 R N -0.200 120.274 120.500 -0.043 0.000 2.357 189 R HA 0.139 4.480 4.340 0.002 0.000 0.202 189 R C 1.889 177.795 176.300 -0.657 0.000 1.047 189 R CA 0.089 55.882 56.100 -0.512 0.000 1.034 189 R CB -0.098 29.856 30.300 -0.577 0.000 0.875 189 R HN 0.459 nan 8.270 nan 0.000 0.473 190 I N 0.778 121.129 120.570 -0.365 0.000 3.001 190 I HA -0.197 3.975 4.170 0.002 0.000 0.268 190 I C 1.098 177.130 176.117 -0.141 0.000 1.267 190 I CA 1.084 62.305 61.300 -0.132 0.000 1.472 190 I CB 0.196 38.222 38.000 0.044 0.000 1.089 190 I HN 0.188 nan 8.210 nan 0.000 0.468 191 Q N 0.368 120.021 119.800 -0.245 0.000 2.280 191 Q HA -0.056 4.285 4.340 0.002 0.000 0.201 191 Q C 1.515 177.102 176.000 -0.688 0.000 0.890 191 Q CA 0.075 55.736 55.803 -0.238 0.000 0.947 191 Q CB -0.094 28.669 28.738 0.041 0.000 1.081 191 Q HN 0.775 nan 8.270 nan 0.000 0.502 192 W N 0.114 120.689 121.300 -1.209 0.000 2.341 192 W HA -0.120 4.542 4.660 0.002 0.000 0.283 192 W C 0.968 177.168 176.519 -0.532 0.000 1.215 192 W CA 1.228 57.702 57.345 -1.451 0.000 1.211 192 W CB -0.978 27.842 29.460 -1.066 0.000 1.131 192 W HN 0.063 nan 8.180 nan 0.000 0.552 193 G N 1.041 109.231 108.800 -1.017 0.000 2.777 193 G HA2 -0.115 3.846 3.960 0.002 0.000 0.211 193 G HA3 -0.115 3.846 3.960 0.002 0.000 0.211 193 G C 0.628 175.338 174.900 -0.316 0.000 1.149 193 G CA -0.139 44.443 45.100 -0.863 0.000 0.785 193 G HN 0.208 nan 8.290 nan 0.000 0.536 194 K N 0.317 120.626 120.400 -0.152 0.000 2.419 194 K HA 0.564 4.885 4.320 0.002 0.000 0.244 194 K C -1.548 175.174 176.600 0.203 0.000 1.045 194 K CA -0.670 55.635 56.287 0.029 0.000 1.004 194 K CB 0.425 32.962 32.500 0.062 0.000 1.376 194 K HN 0.044 nan 8.250 nan 0.000 0.460 195 L N 3.024 124.341 121.223 0.158 0.000 2.476 195 L HA 0.372 4.713 4.340 0.002 0.000 0.269 195 L C -1.467 175.399 176.870 -0.007 0.000 0.965 195 L CA -0.403 54.535 54.840 0.162 0.000 0.845 195 L CB 1.963 44.193 42.059 0.284 0.000 1.259 195 L HN 0.528 nan 8.230 nan 0.000 0.403 196 Q N 3.359 123.098 119.800 -0.101 0.000 2.295 196 Q HA 0.513 4.854 4.340 0.002 0.000 0.259 196 Q C -1.549 174.105 176.000 -0.576 0.000 0.976 196 Q CA -0.058 55.513 55.803 -0.386 0.000 0.923 196 Q CB 1.185 29.589 28.738 -0.556 0.000 1.185 196 Q HN 0.536 nan 8.270 nan 0.000 0.410 197 V N 6.392 125.986 119.914 -0.533 0.000 2.350 197 V HA 0.382 4.503 4.120 0.002 0.000 0.276 197 V C -0.701 175.071 176.094 -0.538 0.000 1.028 197 V CA -0.541 61.498 62.300 -0.435 0.000 0.860 197 V CB 0.204 31.894 31.823 -0.221 0.000 0.990 197 V HN 0.637 nan 8.190 nan 0.000 0.453 198 F N 2.715 122.546 119.950 -0.198 0.000 2.391 198 F HA 0.375 4.903 4.527 0.002 0.000 0.359 198 F C 0.527 176.184 175.800 -0.238 0.000 1.122 198 F CA -0.990 56.896 58.000 -0.190 0.000 1.120 198 F CB 0.933 39.835 39.000 -0.163 0.000 1.142 198 F HN 0.420 nan 8.300 nan 0.000 0.483 199 D N 3.069 123.449 120.400 -0.033 0.000 2.336 199 D HA 0.397 5.038 4.640 0.002 0.000 0.249 199 D C 0.091 176.255 176.300 -0.227 0.000 1.213 199 D CA 0.071 53.984 54.000 -0.143 0.000 0.870 199 D CB 1.213 41.964 40.800 -0.082 0.000 1.076 199 D HN 0.622 nan 8.370 nan 0.000 0.483 200 A N 4.572 127.092 122.820 -0.500 0.000 2.637 200 A HA 0.165 4.486 4.320 0.002 0.000 0.293 200 A C 1.491 178.789 177.584 -0.476 0.000 1.216 200 A CA -0.401 51.093 52.037 -0.905 0.000 0.956 200 A CB 0.062 18.027 19.000 -1.725 0.000 1.174 200 A HN 0.561 nan 8.150 nan 0.000 0.525 201 R N 1.000 121.352 120.500 -0.247 0.000 2.339 201 R HA -0.047 4.294 4.340 0.002 0.000 0.199 201 R C 0.227 176.489 176.300 -0.064 0.000 1.018 201 R CA 1.133 57.162 56.100 -0.119 0.000 1.036 201 R CB 0.025 30.309 30.300 -0.026 0.000 0.899 201 R HN 0.687 nan 8.270 nan 0.000 0.473 202 D N -0.530 119.851 120.400 -0.032 0.000 2.460 202 D HA -0.021 4.620 4.640 0.002 0.000 0.229 202 D C -0.349 176.020 176.300 0.115 0.000 1.170 202 D CA -0.225 53.808 54.000 0.056 0.000 0.827 202 D CB -0.177 40.682 40.800 0.097 0.000 0.973 202 D HN -0.004 nan 8.370 nan 0.000 0.496 203 C N 1.447 120.781 119.300 0.056 0.000 2.330 203 C HA 0.443 4.904 4.460 0.002 0.000 0.344 203 C C 1.436 176.537 174.990 0.185 0.000 1.273 203 C CA -0.146 58.957 59.018 0.143 0.000 1.879 203 C CB 0.464 28.270 27.740 0.109 0.000 2.376 203 C HN 0.456 nan 8.230 nan 0.000 0.534 204 S N 2.138 118.003 115.700 0.275 0.000 2.780 204 S HA 0.313 4.784 4.470 0.002 0.000 0.248 204 S C -0.059 174.706 174.600 0.274 0.000 1.036 204 S CA 0.102 58.498 58.200 0.326 0.000 1.061 204 S CB -0.205 63.117 63.200 0.203 0.000 1.037 204 S HN 1.161 nan 8.310 nan 0.000 0.584 205 S N -0.407 115.454 115.700 0.269 0.000 2.570 205 S HA 0.806 5.278 4.470 0.002 0.000 0.270 205 S C 0.808 175.495 174.600 0.145 0.000 1.149 205 S CA -0.318 57.983 58.200 0.168 0.000 0.837 205 S CB 0.991 64.268 63.200 0.128 0.000 1.124 205 S HN 0.516 nan 8.310 nan 0.000 0.465 206 A N 1.042 123.923 122.820 0.101 0.000 1.902 206 A HA -0.102 4.219 4.320 0.002 0.000 0.217 206 A C 2.114 179.670 177.584 -0.045 0.000 1.181 206 A CA 2.269 54.349 52.037 0.071 0.000 0.623 206 A CB -1.268 17.846 19.000 0.190 0.000 0.818 206 A HN 0.939 nan 8.150 nan 0.000 0.443 207 Q N 0.212 120.063 119.800 0.085 0.000 2.135 207 Q HA -0.195 4.146 4.340 0.002 0.000 0.204 207 Q C 1.770 177.763 176.000 -0.012 0.000 0.981 207 Q CA 2.341 58.150 55.803 0.011 0.000 0.856 207 Q CB -0.386 28.459 28.738 0.178 0.000 0.902 207 Q HN 0.764 nan 8.270 nan 0.000 0.425 208 E N -0.742 119.498 120.200 0.067 0.000 2.106 208 E HA -0.138 4.213 4.350 0.002 0.000 0.192 208 E C 2.015 178.737 176.600 0.203 0.000 0.984 208 E CA 1.229 57.704 56.400 0.126 0.000 0.806 208 E CB -0.120 29.702 29.700 0.204 0.000 0.750 208 E HN 0.453 nan 8.360 nan 0.000 0.458 209 M N -0.048 119.614 119.600 0.104 0.000 2.108 209 M HA -0.168 4.314 4.480 0.002 0.000 0.261 209 M C 2.155 178.483 176.300 0.047 0.000 1.066 209 M CA 1.415 56.716 55.300 0.002 0.000 1.107 209 M CB -0.288 32.083 32.600 -0.381 0.000 1.356 209 M HN 0.141 nan 8.290 nan 0.000 0.406 210 F N 0.722 120.468 119.950 -0.340 0.000 2.171 210 F HA -0.229 4.299 4.527 0.002 0.000 0.300 210 F C 2.219 177.906 175.800 -0.187 0.000 1.090 210 F CA 1.612 59.354 58.000 -0.429 0.000 1.293 210 F CB -0.093 38.304 39.000 -1.004 0.000 1.013 210 F HN 0.029 nan 8.300 nan 0.000 0.486 211 T N -0.494 113.920 114.554 -0.233 0.000 2.777 211 T HA -0.196 4.156 4.350 0.002 0.000 0.266 211 T C 1.523 176.066 174.700 -0.261 0.000 1.040 211 T CA 1.687 63.602 62.100 -0.309 0.000 1.141 211 T CB -0.659 68.081 68.868 -0.214 0.000 0.868 211 T HN 0.331 nan 8.240 nan 0.000 0.444 212 Y N 1.057 121.306 120.300 -0.084 0.000 2.097 212 Y HA -0.093 4.458 4.550 0.002 0.000 0.282 212 Y C 2.312 178.157 175.900 -0.093 0.000 1.152 212 Y CA 1.078 59.145 58.100 -0.056 0.000 1.136 212 Y CB -0.381 38.163 38.460 0.141 0.000 0.975 212 Y HN 0.130 nan 8.280 nan 0.000 0.498 213 I N -1.389 119.270 120.570 0.148 0.000 2.264 213 I HA -0.395 3.776 4.170 0.002 0.000 0.248 213 I C 2.338 178.378 176.117 -0.128 0.000 1.111 213 I CA 1.033 62.344 61.300 0.018 0.000 1.382 213 I CB -0.460 37.549 38.000 0.014 0.000 1.060 213 I HN 0.367 nan 8.210 nan 0.000 0.418 214 C N 0.621 119.731 119.300 -0.317 0.000 2.446 214 C HA -0.118 4.343 4.460 0.002 0.000 0.277 214 C C 2.621 177.498 174.990 -0.188 0.000 1.275 214 C CA 0.802 59.619 59.018 -0.336 0.000 1.727 214 C CB -1.330 26.077 27.740 -0.554 0.000 2.010 214 C HN 0.553 nan 8.230 nan 0.000 0.486 215 N N -0.033 118.543 118.700 -0.207 0.000 2.188 215 N HA -0.137 4.604 4.740 0.002 0.000 0.184 215 N C 1.441 176.842 175.510 -0.182 0.000 1.018 215 N CA 1.397 54.320 53.050 -0.212 0.000 0.858 215 N CB -0.852 37.442 38.487 -0.321 0.000 0.989 215 N HN 0.753 nan 8.380 nan 0.000 0.426 216 H N 0.726 119.620 119.070 -0.294 0.000 2.319 216 H HA 0.032 4.589 4.556 0.002 0.000 0.299 216 H C 2.113 177.462 175.328 0.035 0.000 1.092 216 H CA 1.520 57.467 56.048 -0.168 0.000 1.302 216 H CB -0.043 29.678 29.762 -0.069 0.000 1.373 216 H HN 0.093 nan 8.280 nan 0.000 0.497 217 I N 0.663 121.368 120.570 0.226 0.000 2.226 217 I HA -0.260 3.911 4.170 0.002 0.000 0.245 217 I C 2.368 178.557 176.117 0.121 0.000 1.100 217 I CA 1.399 62.800 61.300 0.169 0.000 1.374 217 I CB -0.242 37.783 38.000 0.041 0.000 1.057 217 I HN 0.320 nan 8.210 nan 0.000 0.413 218 K N -0.097 120.341 120.400 0.063 0.000 2.057 218 K HA -0.229 4.092 4.320 0.002 0.000 0.207 218 K C 2.204 178.851 176.600 0.078 0.000 1.049 218 K CA 1.637 57.952 56.287 0.046 0.000 0.931 218 K CB -0.358 32.147 32.500 0.010 0.000 0.714 218 K HN 0.290 nan 8.250 nan 0.000 0.440 219 Y N 1.460 121.769 120.300 0.015 0.000 2.133 219 Y HA -0.199 4.352 4.550 0.002 0.000 0.287 219 Y C 2.277 178.231 175.900 0.091 0.000 1.134 219 Y CA 1.478 59.619 58.100 0.067 0.000 1.133 219 Y CB -0.356 38.189 38.460 0.142 0.000 0.987 219 Y HN 0.022 nan 8.280 nan 0.000 0.502 220 A N -0.517 122.452 122.820 0.248 0.000 1.902 220 A HA -0.175 4.147 4.320 0.002 0.000 0.217 220 A C 2.194 179.835 177.584 0.095 0.000 1.181 220 A CA 2.337 54.487 52.037 0.189 0.000 0.623 220 A CB -1.352 17.817 19.000 0.282 0.000 0.818 220 A HN 0.532 nan 8.150 nan 0.000 0.443 221 T N -0.382 114.229 114.554 0.094 0.000 2.737 221 T HA -0.123 4.228 4.350 0.002 0.000 0.265 221 T C 1.023 175.731 174.700 0.013 0.000 1.038 221 T CA 1.012 63.157 62.100 0.075 0.000 1.144 221 T CB -0.560 68.351 68.868 0.072 0.000 0.866 221 T HN 0.737 nan 8.240 nan 0.000 0.434 222 N N 0.815 119.491 118.700 -0.039 0.000 2.714 222 N HA -0.288 4.453 4.740 0.002 0.000 0.252 222 N C -0.745 174.738 175.510 -0.044 0.000 1.014 222 N CA -0.093 52.909 53.050 -0.080 0.000 0.735 222 N CB -0.287 38.110 38.487 -0.150 0.000 0.924 222 N HN 0.118 nan 8.380 nan 0.000 0.540 223 R N -2.108 118.379 120.500 -0.022 0.000 3.758 223 R HA -0.223 4.119 4.340 0.002 0.000 0.299 223 R C 1.321 177.609 176.300 -0.020 0.000 1.182 223 R CA 1.733 57.821 56.100 -0.019 0.000 0.809 223 R CB -2.458 27.826 30.300 -0.026 0.000 1.249 223 R HN 1.048 nan 8.270 nan 0.000 0.497 224 G N -0.738 108.059 108.800 -0.006 0.000 2.238 224 G HA2 -0.318 3.643 3.960 0.002 0.000 0.217 224 G HA3 -0.318 3.643 3.960 0.002 0.000 0.217 224 G C 0.110 175.004 174.900 -0.010 0.000 0.996 224 G CA 0.136 45.235 45.100 -0.002 0.000 0.632 224 G HN 0.475 nan 8.290 nan 0.000 0.503 225 N N 1.118 119.799 118.700 -0.032 0.000 3.322 225 N HA 0.434 5.175 4.740 0.002 0.000 0.290 225 N C 0.307 175.791 175.510 -0.044 0.000 1.297 225 N CA -0.716 52.297 53.050 -0.061 0.000 1.167 225 N CB -0.123 38.322 38.487 -0.071 0.000 1.434 225 N HN 0.157 nan 8.380 nan 0.000 0.526 226 L N 1.984 123.213 121.223 0.010 0.000 2.605 226 L HA -0.056 4.285 4.340 0.002 0.000 0.296 226 L C 0.593 177.570 176.870 0.178 0.000 1.255 226 L CA 1.257 56.171 54.840 0.123 0.000 0.879 226 L CB 0.086 42.303 42.059 0.265 0.000 1.124 226 L HN 0.360 nan 8.230 nan 0.000 0.507 227 R N 1.484 122.108 120.500 0.206 0.000 2.575 227 R HA 0.436 4.778 4.340 0.002 0.000 0.293 227 R C -0.712 175.766 176.300 0.298 0.000 0.983 227 R CA -0.699 55.549 56.100 0.247 0.000 0.887 227 R CB 1.719 32.032 30.300 0.022 0.000 1.184 227 R HN 0.571 nan 8.270 nan 0.000 0.445 228 S N 1.495 117.374 115.700 0.298 0.000 2.549 228 S HA 0.484 4.955 4.470 0.002 0.000 0.283 228 S C -0.217 174.442 174.600 0.099 0.000 1.320 228 S CA -0.254 58.015 58.200 0.114 0.000 1.058 228 S CB 1.225 64.424 63.200 -0.003 0.000 0.882 228 S HN 0.700 nan 8.310 nan 0.000 0.498 229 A N 2.627 125.462 122.820 0.026 0.000 2.609 229 A HA 0.860 5.181 4.320 0.002 0.000 0.291 229 A C -1.273 176.329 177.584 0.030 0.000 1.096 229 A CA -0.694 51.295 52.037 -0.081 0.000 0.684 229 A CB 1.232 20.126 19.000 -0.176 0.000 1.282 229 A HN 0.807 nan 8.150 nan 0.000 0.412 230 I N 0.124 120.712 120.570 0.031 0.000 2.752 230 I HA 0.626 4.797 4.170 0.002 0.000 0.295 230 I C -1.259 174.978 176.117 0.199 0.000 1.219 230 I CA -0.083 61.364 61.300 0.245 0.000 1.030 230 I CB 2.432 40.525 38.000 0.155 0.000 1.259 230 I HN 0.626 nan 8.210 nan 0.000 0.423 231 T N 6.053 120.745 114.554 0.230 0.000 2.807 231 T HA 0.508 4.859 4.350 0.002 0.000 0.279 231 T C -0.895 173.617 174.700 -0.313 0.000 0.993 231 T CA -0.409 61.675 62.100 -0.027 0.000 0.970 231 T CB 1.766 70.591 68.868 -0.071 0.000 0.950 231 T HN 0.265 nan 8.240 nan 0.000 0.441 232 V N 4.655 124.299 119.914 -0.451 0.000 2.334 232 V HA 0.480 4.601 4.120 0.002 0.000 0.281 232 V C -0.513 175.269 176.094 -0.520 0.000 1.016 232 V CA -0.847 61.191 62.300 -0.438 0.000 0.832 232 V CB 0.056 31.581 31.823 -0.497 0.000 0.999 232 V HN 0.720 nan 8.190 nan 0.000 0.439 233 F N 4.974 124.839 119.950 -0.141 0.000 2.362 233 F HA 0.498 5.027 4.527 0.002 0.000 0.311 233 F C -1.787 173.918 175.800 -0.158 0.000 1.161 233 F CA -2.454 55.396 58.000 -0.251 0.000 1.085 233 F CB 0.154 39.011 39.000 -0.239 0.000 1.311 233 F HN 0.288 nan 8.300 nan 0.000 0.524 234 P HA -0.053 nan 4.420 nan 0.000 0.261 234 P C -0.892 176.431 177.300 0.037 0.000 1.173 234 P CA 0.048 63.058 63.100 -0.149 0.000 0.760 234 P CB 0.146 31.547 31.700 -0.500 0.000 0.783 235 Q N 3.813 123.606 119.800 -0.012 0.000 2.524 235 Q HA 0.118 4.459 4.340 0.002 0.000 0.246 235 Q C -0.196 175.710 176.000 -0.156 0.000 1.063 235 Q CA -0.204 55.363 55.803 -0.395 0.000 0.945 235 Q CB 0.551 28.810 28.738 -0.798 0.000 1.292 235 Q HN 0.354 nan 8.270 nan 0.000 0.518 236 R N -0.034 120.346 120.500 -0.199 0.000 2.738 236 R HA 0.481 4.822 4.340 0.002 0.000 0.268 236 R C -0.660 175.592 176.300 -0.081 0.000 1.062 236 R CA 0.278 56.336 56.100 -0.069 0.000 1.158 236 R CB 0.631 30.882 30.300 -0.082 0.000 1.046 236 R HN 0.737 nan 8.270 nan 0.000 0.493 237 A N 2.954 125.764 122.820 -0.017 0.000 2.422 237 A HA 0.502 4.823 4.320 0.002 0.000 0.302 237 A C -2.558 175.022 177.584 -0.006 0.000 1.041 237 A CA -1.989 50.040 52.037 -0.013 0.000 0.708 237 A CB 1.530 20.551 19.000 0.035 0.000 1.257 237 A HN 0.396 nan 8.150 nan 0.000 0.414 238 P HA 0.237 nan 4.420 nan 0.000 0.262 238 P C 1.163 178.466 177.300 0.006 0.000 1.182 238 P CA 2.233 65.331 63.100 -0.004 0.000 0.761 238 P CB 0.614 32.313 31.700 -0.001 0.000 0.795 239 G N 2.023 110.825 108.800 0.003 0.000 2.196 239 G HA2 -0.302 3.659 3.960 0.002 0.000 0.268 239 G HA3 -0.302 3.659 3.960 0.002 0.000 0.268 239 G C 0.349 175.254 174.900 0.008 0.000 0.975 239 G CA 0.045 45.149 45.100 0.006 0.000 0.648 239 G HN 0.717 nan 8.290 nan 0.000 0.538 240 R N 0.538 121.043 120.500 0.009 0.000 2.711 240 R HA 0.574 4.915 4.340 0.002 0.000 0.284 240 R C 0.908 177.210 176.300 0.003 0.000 0.968 240 R CA -0.008 56.097 56.100 0.008 0.000 0.924 240 R CB 0.937 31.250 30.300 0.021 0.000 1.162 240 R HN 0.330 nan 8.270 nan 0.000 0.465 241 G N 1.821 110.613 108.800 -0.012 0.000 2.614 241 G HA2 0.003 3.964 3.960 0.002 0.000 0.239 241 G HA3 0.003 3.964 3.960 0.002 0.000 0.239 241 G C -0.525 174.365 174.900 -0.017 0.000 1.240 241 G CA -0.333 44.758 45.100 -0.015 0.000 0.842 241 G HN 0.606 nan 8.290 nan 0.000 0.584 242 D N -0.503 119.905 120.400 0.014 0.000 2.283 242 D HA 0.318 4.959 4.640 0.002 0.000 0.248 242 D C -0.186 176.147 176.300 0.054 0.000 1.072 242 D CA 0.048 54.091 54.000 0.071 0.000 0.929 242 D CB 1.035 41.886 40.800 0.086 0.000 1.182 242 D HN 0.100 nan 8.370 nan 0.000 0.433 243 F N 1.390 121.374 119.950 0.057 0.000 2.427 243 F HA 0.313 4.841 4.527 0.002 0.000 0.352 243 F C 1.077 176.917 175.800 0.068 0.000 1.100 243 F CA 0.108 58.131 58.000 0.039 0.000 1.191 243 F CB 0.670 39.685 39.000 0.025 0.000 1.128 243 F HN -0.169 nan 8.300 nan 0.000 0.533 244 R N 3.446 124.082 120.500 0.226 0.000 2.707 244 R HA 0.532 4.873 4.340 0.002 0.000 0.272 244 R C -1.405 175.050 176.300 0.258 0.000 1.011 244 R CA -0.886 55.364 56.100 0.250 0.000 0.893 244 R CB 2.214 32.694 30.300 0.300 0.000 1.233 244 R HN 0.612 nan 8.270 nan 0.000 0.464 245 I N 1.711 122.431 120.570 0.250 0.000 2.382 245 I HA 0.167 4.338 4.170 0.002 0.000 0.285 245 I C 0.428 176.757 176.117 0.353 0.000 1.007 245 I CA -0.456 60.977 61.300 0.222 0.000 1.142 245 I CB 1.274 39.349 38.000 0.125 0.000 1.289 245 I HN 0.523 nan 8.210 nan 0.000 0.453 246 W N 3.486 124.820 121.300 0.057 0.000 2.358 246 W HA -0.107 4.554 4.660 0.002 0.000 0.303 246 W C 1.007 177.599 176.519 0.122 0.000 1.208 246 W CA 0.249 57.671 57.345 0.128 0.000 1.274 246 W CB -0.838 28.673 29.460 0.086 0.000 1.138 246 W HN 0.401 nan 8.180 nan 0.000 0.515 247 N N 0.221 119.073 118.700 0.252 0.000 2.454 247 N HA -0.006 4.735 4.740 0.002 0.000 0.254 247 N C 1.331 176.897 175.510 0.094 0.000 1.228 247 N CA 0.901 54.023 53.050 0.120 0.000 0.900 247 N CB 0.673 39.175 38.487 0.025 0.000 1.089 247 N HN -0.062 nan 8.380 nan 0.000 0.449 248 S N 1.045 116.793 115.700 0.079 0.000 2.428 248 S HA -0.064 4.407 4.470 0.002 0.000 0.230 248 S C 0.357 174.956 174.600 -0.001 0.000 1.014 248 S CA 0.739 58.977 58.200 0.062 0.000 0.957 248 S CB 0.069 63.324 63.200 0.092 0.000 0.784 248 S HN 0.662 nan 8.310 nan 0.000 0.499 249 Q N -0.752 119.032 119.800 -0.027 0.000 2.421 249 Q HA 0.500 4.841 4.340 0.002 0.000 0.280 249 Q C 0.211 176.129 176.000 -0.135 0.000 1.085 249 Q CA -0.544 55.206 55.803 -0.089 0.000 0.807 249 Q CB 2.009 30.724 28.738 -0.038 0.000 1.405 249 Q HN 0.135 nan 8.270 nan 0.000 0.419 250 L N 0.200 121.320 121.223 -0.173 0.000 2.141 250 L HA 0.008 4.349 4.340 0.002 0.000 0.209 250 L C 0.425 177.148 176.870 -0.244 0.000 1.094 250 L CA 0.877 55.615 54.840 -0.170 0.000 0.763 250 L CB 0.093 42.050 42.059 -0.169 0.000 0.908 250 L HN 0.269 nan 8.230 nan 0.000 0.437 251 V N 0.933 120.603 119.914 -0.407 0.000 2.409 251 V HA 0.473 4.594 4.120 0.002 0.000 0.291 251 V C -0.217 175.360 176.094 -0.862 0.000 1.020 251 V CA -0.666 61.214 62.300 -0.700 0.000 0.848 251 V CB 1.666 32.867 31.823 -1.037 0.000 0.990 251 V HN 0.179 nan 8.190 nan 0.000 0.430 252 R N 2.942 123.076 120.500 -0.610 0.000 2.626 252 R HA 0.471 4.812 4.340 0.002 0.000 0.274 252 R C -1.884 174.239 176.300 -0.295 0.000 1.031 252 R CA -0.784 55.089 56.100 -0.378 0.000 0.898 252 R CB 2.451 32.658 30.300 -0.156 0.000 1.222 252 R HN 0.571 nan 8.270 nan 0.000 0.455 253 Y N 0.567 120.863 120.300 -0.007 0.000 2.313 253 Y HA 0.404 4.955 4.550 0.002 0.000 0.332 253 Y C 0.976 176.835 175.900 -0.068 0.000 1.071 253 Y CA -0.669 57.431 58.100 -0.000 0.000 1.169 253 Y CB 1.232 39.753 38.460 0.101 0.000 1.192 253 Y HN 0.688 nan 8.280 nan 0.000 0.487 254 A N 2.055 124.893 122.820 0.031 0.000 2.507 254 A HA 0.484 4.805 4.320 0.002 0.000 0.235 254 A C 0.694 178.030 177.584 -0.414 0.000 1.070 254 A CA 0.425 52.314 52.037 -0.248 0.000 0.768 254 A CB -0.264 18.521 19.000 -0.359 0.000 1.011 254 A HN 0.967 nan 8.150 nan 0.000 0.502 255 G N 0.752 109.293 108.800 -0.433 0.000 2.728 255 G HA2 0.542 4.503 3.960 0.002 0.000 0.296 255 G HA3 0.542 4.503 3.960 0.002 0.000 0.296 255 G C -0.983 173.756 174.900 -0.269 0.000 1.401 255 G CA -0.297 44.609 45.100 -0.323 0.000 1.007 255 G HN 0.569 nan 8.290 nan 0.000 0.527 256 Y N 2.081 122.393 120.300 0.019 0.000 2.335 256 Y HA 0.407 4.958 4.550 0.002 0.000 0.339 256 Y C 1.068 176.968 175.900 -0.001 0.000 0.987 256 Y CA -1.146 56.968 58.100 0.022 0.000 1.140 256 Y CB 1.419 39.891 38.460 0.021 0.000 1.173 256 Y HN 0.192 nan 8.280 nan 0.000 0.486 257 R N 4.314 124.906 120.500 0.155 0.000 2.288 257 R HA 0.148 4.489 4.340 0.002 0.000 0.330 257 R C -0.358 175.985 176.300 0.072 0.000 1.069 257 R CA -0.038 56.112 56.100 0.082 0.000 0.941 257 R CB 0.549 30.884 30.300 0.059 0.000 0.998 257 R HN 0.827 nan 8.270 nan 0.000 0.452 258 Q N 1.678 121.509 119.800 0.052 0.000 2.823 258 Q HA 0.147 4.488 4.340 0.002 0.000 0.230 258 Q C 0.743 176.753 176.000 0.017 0.000 1.026 258 Q CA -0.920 54.901 55.803 0.030 0.000 0.940 258 Q CB 0.753 29.507 28.738 0.027 0.000 1.382 258 Q HN 0.395 nan 8.270 nan 0.000 0.502 259 Q N 1.140 120.944 119.800 0.007 0.000 2.655 259 Q HA -0.293 4.048 4.340 0.002 0.000 0.509 259 Q C 0.383 176.387 176.000 0.006 0.000 0.546 259 Q CA 2.225 58.030 55.803 0.004 0.000 1.001 259 Q CB -0.638 28.101 28.738 0.002 0.000 1.609 259 Q HN 0.753 nan 8.270 nan 0.000 1.075 260 D N -0.123 120.280 120.400 0.006 0.000 2.870 260 D HA 0.184 4.825 4.640 0.002 0.000 0.241 260 D C 0.823 177.129 176.300 0.010 0.000 1.234 260 D CA 0.626 54.630 54.000 0.007 0.000 0.844 260 D CB -0.185 40.618 40.800 0.006 0.000 1.051 260 D HN 0.758 nan 8.370 nan 0.000 0.469 261 G N 0.331 109.139 108.800 0.013 0.000 2.205 261 G HA2 -0.340 3.622 3.960 0.002 0.000 0.261 261 G HA3 -0.340 3.622 3.960 0.002 0.000 0.261 261 G C 0.542 175.450 174.900 0.014 0.000 0.980 261 G CA 0.457 45.566 45.100 0.015 0.000 0.632 261 G HN 0.845 nan 8.290 nan 0.000 0.533 262 S N -0.955 114.752 115.700 0.012 0.000 2.596 262 S HA 0.616 5.088 4.470 0.002 0.000 0.260 262 S C 0.132 174.737 174.600 0.007 0.000 1.336 262 S CA 0.235 58.439 58.200 0.007 0.000 0.993 262 S CB 2.137 65.341 63.200 0.006 0.000 0.923 262 S HN 1.196 nan 8.310 nan 0.000 0.567 263 V N 1.425 121.333 119.914 -0.010 0.000 2.638 263 V HA 0.528 4.649 4.120 0.002 0.000 0.306 263 V C 0.015 176.085 176.094 -0.040 0.000 1.052 263 V CA -0.847 61.442 62.300 -0.019 0.000 0.885 263 V CB 1.723 33.516 31.823 -0.049 0.000 0.999 263 V HN 0.966 nan 8.190 nan 0.000 0.424 264 R N 2.624 123.129 120.500 0.009 0.000 2.265 264 R HA 0.677 5.018 4.340 0.002 0.000 0.319 264 R C 0.574 176.825 176.300 -0.082 0.000 1.006 264 R CA 0.951 57.057 56.100 0.009 0.000 0.880 264 R CB 1.086 31.465 30.300 0.132 0.000 1.077 264 R HN 1.220 nan 8.270 nan 0.000 0.454 265 G N 2.899 111.565 108.800 -0.223 0.000 2.466 265 G HA2 -0.244 3.717 3.960 0.002 0.000 0.218 265 G HA3 -0.244 3.717 3.960 0.002 0.000 0.218 265 G C -1.301 173.225 174.900 -0.623 0.000 1.237 265 G CA -0.143 44.747 45.100 -0.349 0.000 0.954 265 G HN 0.634 nan 8.290 nan 0.000 0.580 266 D N 1.554 121.726 120.400 -0.380 0.000 2.347 266 D HA 0.545 5.187 4.640 0.002 0.000 0.235 266 D C -1.060 175.139 176.300 -0.169 0.000 1.149 266 D CA -1.917 51.895 54.000 -0.312 0.000 0.850 266 D CB 1.443 42.351 40.800 0.179 0.000 1.061 266 D HN -0.013 nan 8.370 nan 0.000 0.487 267 P HA -0.095 nan 4.420 nan 0.000 0.221 267 P C 0.808 178.109 177.300 0.000 0.000 1.145 267 P CA 0.849 63.904 63.100 -0.074 0.000 0.795 267 P CB 0.319 31.984 31.700 -0.059 0.000 0.775 268 A N -0.553 122.285 122.820 0.030 0.000 2.066 268 A HA -0.076 4.245 4.320 0.002 0.000 0.218 268 A C 1.479 179.106 177.584 0.072 0.000 1.157 268 A CA 1.126 53.211 52.037 0.080 0.000 0.670 268 A CB -0.715 18.356 19.000 0.118 0.000 0.804 268 A HN 0.149 nan 8.150 nan 0.000 0.453 269 N N -0.060 118.665 118.700 0.042 0.000 2.321 269 N HA 0.167 4.909 4.740 0.002 0.000 0.242 269 N C 0.961 176.458 175.510 -0.021 0.000 1.141 269 N CA 0.080 53.141 53.050 0.017 0.000 0.864 269 N CB 0.776 39.270 38.487 0.011 0.000 1.100 269 N HN 0.185 nan 8.380 nan 0.000 0.510 270 V N 0.896 120.805 119.914 -0.010 0.000 2.261 270 V HA -0.232 3.889 4.120 0.002 0.000 0.246 270 V C 2.457 178.545 176.094 -0.011 0.000 1.047 270 V CA 1.774 64.068 62.300 -0.010 0.000 1.015 270 V CB -0.268 31.560 31.823 0.008 0.000 0.642 270 V HN 0.381 nan 8.190 nan 0.000 0.446 271 E N -0.302 119.889 120.200 -0.015 0.000 2.038 271 E HA -0.286 4.065 4.350 0.002 0.000 0.195 271 E C 2.152 178.661 176.600 -0.152 0.000 1.000 271 E CA 1.993 58.348 56.400 -0.075 0.000 0.803 271 E CB -0.220 29.449 29.700 -0.051 0.000 0.750 271 E HN 0.461 nan 8.360 nan 0.000 0.448 272 I N 0.786 121.278 120.570 -0.130 0.000 2.286 272 I HA -0.224 3.947 4.170 0.002 0.000 0.248 272 I C 2.114 178.178 176.117 -0.087 0.000 1.115 272 I CA 1.587 62.804 61.300 -0.138 0.000 1.392 272 I CB -0.407 37.555 38.000 -0.064 0.000 1.065 272 I HN 0.111 nan 8.210 nan 0.000 0.418 273 T N 0.376 114.899 114.554 -0.051 0.000 2.746 273 T HA -0.175 4.176 4.350 0.002 0.000 0.267 273 T C 1.738 176.506 174.700 0.113 0.000 1.039 273 T CA 1.747 63.856 62.100 0.016 0.000 1.142 273 T CB -0.257 68.620 68.868 0.015 0.000 0.866 273 T HN 0.488 nan 8.240 nan 0.000 0.444 274 E N 0.628 120.864 120.200 0.059 0.000 2.106 274 E HA -0.026 4.326 4.350 0.002 0.000 0.192 274 E C 2.216 178.855 176.600 0.066 0.000 0.984 274 E CA 0.721 57.165 56.400 0.072 0.000 0.806 274 E CB -0.235 29.479 29.700 0.024 0.000 0.750 274 E HN 0.425 nan 8.360 nan 0.000 0.458 275 L N 0.344 121.571 121.223 0.006 0.000 2.056 275 L HA -0.200 4.141 4.340 0.002 0.000 0.207 275 L C 2.621 179.582 176.870 0.152 0.000 1.078 275 L CA 0.753 55.631 54.840 0.063 0.000 0.749 275 L CB -0.372 41.659 42.059 -0.046 0.000 0.901 275 L HN 0.287 nan 8.230 nan 0.000 0.433 276 C N 0.008 119.351 119.300 0.072 0.000 2.413 276 C HA -0.171 4.290 4.460 0.002 0.000 0.276 276 C C 2.719 177.877 174.990 0.281 0.000 1.248 276 C CA 0.553 59.623 59.018 0.086 0.000 1.742 276 C CB -0.713 26.972 27.740 -0.091 0.000 2.017 276 C HN 0.427 nan 8.230 nan 0.000 0.481 277 I N 0.929 121.695 120.570 0.326 0.000 2.179 277 I HA -0.275 3.896 4.170 0.002 0.000 0.242 277 I C 2.829 179.032 176.117 0.144 0.000 1.088 277 I CA 1.938 63.400 61.300 0.271 0.000 1.357 277 I CB -0.773 37.352 38.000 0.209 0.000 1.051 277 I HN 0.497 nan 8.210 nan 0.000 0.409 278 Q N 0.884 120.754 119.800 0.118 0.000 2.234 278 Q HA -0.246 4.096 4.340 0.002 0.000 0.206 278 Q C 1.107 177.062 176.000 -0.076 0.000 0.980 278 Q CA 1.764 57.577 55.803 0.017 0.000 0.869 278 Q CB -0.195 28.549 28.738 0.009 0.000 0.912 278 Q HN 0.572 nan 8.270 nan 0.000 0.436 279 H N -1.084 117.982 119.070 -0.007 0.000 2.568 279 H HA 0.313 4.871 4.556 0.002 0.000 0.302 279 H C 0.585 175.893 175.328 -0.033 0.000 1.065 279 H CA 0.642 56.660 56.048 -0.050 0.000 1.140 279 H CB 0.775 30.467 29.762 -0.116 0.000 1.474 279 H HN 0.546 nan 8.280 nan 0.000 0.545 280 G N -0.414 108.429 108.800 0.072 0.000 2.176 280 G HA2 -0.269 3.692 3.960 0.002 0.000 0.232 280 G HA3 -0.269 3.692 3.960 0.002 0.000 0.232 280 G C 0.066 175.030 174.900 0.107 0.000 0.986 280 G CA -0.139 44.991 45.100 0.049 0.000 0.643 280 G HN 0.405 nan 8.290 nan 0.000 0.522 281 W N 2.705 123.988 121.300 -0.028 0.000 2.253 281 W HA 0.615 5.276 4.660 0.002 0.000 0.322 281 W C 0.272 176.786 176.519 -0.010 0.000 1.342 281 W CA 0.433 57.765 57.345 -0.023 0.000 1.218 281 W CB 0.728 30.185 29.460 -0.006 0.000 1.205 281 W HN 0.026 nan 8.180 nan 0.000 0.551 282 T N 9.926 124.141 114.554 -0.564 0.000 2.782 282 T HA 0.161 4.512 4.350 0.002 0.000 0.298 282 T C -1.967 172.003 174.700 -1.217 0.000 0.944 282 T CA -0.877 60.856 62.100 -0.612 0.000 1.001 282 T CB 0.178 68.829 68.868 -0.360 0.000 0.932 282 T HN 0.258 nan 8.240 nan 0.000 0.524 283 P HA 0.218 nan 4.420 nan 0.000 0.270 283 P C 0.411 177.275 177.300 -0.727 0.000 1.223 283 P CA -0.190 62.147 63.100 -1.271 0.000 0.785 283 P CB 0.803 32.177 31.700 -0.543 0.000 0.923 284 G N 0.914 109.465 108.800 -0.416 0.000 2.702 284 G HA2 0.384 4.345 3.960 0.002 0.000 0.254 284 G HA3 0.384 4.345 3.960 0.002 0.000 0.254 284 G C 0.043 174.706 174.900 -0.395 0.000 1.380 284 G CA -0.607 44.383 45.100 -0.183 0.000 1.042 284 G HN 0.671 nan 8.290 nan 0.000 0.557 285 N N -1.219 117.376 118.700 -0.175 0.000 2.390 285 N HA 0.260 5.001 4.740 0.002 0.000 0.259 285 N C 0.304 175.851 175.510 0.063 0.000 1.395 285 N CA 0.032 52.945 53.050 -0.229 0.000 0.852 285 N CB 0.568 38.930 38.487 -0.210 0.000 1.371 285 N HN 0.682 nan 8.380 nan 0.000 0.491 286 G N -0.026 108.916 108.800 0.236 0.000 2.613 286 G HA2 0.355 4.317 3.960 0.002 0.000 0.303 286 G HA3 0.355 4.317 3.960 0.002 0.000 0.303 286 G C 0.200 175.192 174.900 0.153 0.000 1.312 286 G CA -0.811 44.398 45.100 0.183 0.000 1.036 286 G HN 0.217 nan 8.290 nan 0.000 0.513 287 R N -1.638 118.860 120.500 -0.004 0.000 2.265 287 R HA 0.238 4.579 4.340 0.002 0.000 0.194 287 R C -0.092 175.782 176.300 -0.710 0.000 0.931 287 R CA 0.348 56.265 56.100 -0.305 0.000 1.032 287 R CB 0.062 30.151 30.300 -0.352 0.000 0.980 287 R HN 0.356 nan 8.270 nan 0.000 0.497 288 F N 1.095 120.982 119.950 -0.105 0.000 2.623 288 F HA 0.320 4.848 4.527 0.002 0.000 0.361 288 F C -0.992 174.721 175.800 -0.145 0.000 1.469 288 F CA -1.084 56.598 58.000 -0.530 0.000 1.126 288 F CB 0.846 39.344 39.000 -0.836 0.000 1.221 288 F HN -0.230 nan 8.300 nan 0.000 0.536 289 D N 1.741 122.269 120.400 0.213 0.000 2.316 289 D HA 0.169 4.810 4.640 0.002 0.000 0.245 289 D C 0.211 176.741 176.300 0.383 0.000 1.171 289 D CA 0.156 54.359 54.000 0.338 0.000 0.856 289 D CB 2.172 43.235 40.800 0.438 0.000 1.090 289 D HN -0.048 nan 8.370 nan 0.000 0.476 290 V N 4.071 124.192 119.914 0.345 0.000 2.485 290 V HA -0.019 4.103 4.120 0.002 0.000 0.287 290 V C 1.036 177.141 176.094 0.018 0.000 1.022 290 V CA -0.124 62.274 62.300 0.164 0.000 1.067 290 V CB 0.165 32.046 31.823 0.096 0.000 0.967 290 V HN 0.337 nan 8.190 nan 0.000 0.479 291 L N 8.258 129.384 121.223 -0.162 0.000 2.453 291 L HA 0.394 4.735 4.340 0.002 0.000 0.261 291 L C -1.700 174.914 176.870 -0.427 0.000 1.179 291 L CA -1.350 53.219 54.840 -0.452 0.000 0.813 291 L CB 0.951 42.764 42.059 -0.410 0.000 1.110 291 L HN 0.491 nan 8.230 nan 0.000 0.466 292 P HA 0.305 nan 4.420 nan 0.000 0.281 292 P C -1.269 175.868 177.300 -0.272 0.000 1.264 292 P CA -0.591 62.267 63.100 -0.403 0.000 0.824 292 P CB 1.258 32.623 31.700 -0.559 0.000 1.092 293 L N 0.987 122.142 121.223 -0.113 0.000 2.325 293 L HA 0.422 4.763 4.340 0.002 0.000 0.279 293 L C 0.475 177.313 176.870 -0.054 0.000 1.054 293 L CA -0.835 53.981 54.840 -0.041 0.000 0.804 293 L CB 0.676 42.782 42.059 0.078 0.000 1.200 293 L HN 0.214 nan 8.230 nan 0.000 0.436 294 L N 4.724 125.897 121.223 -0.084 0.000 2.313 294 L HA 0.440 4.781 4.340 0.002 0.000 0.273 294 L C -0.641 176.117 176.870 -0.187 0.000 1.028 294 L CA -0.254 54.446 54.840 -0.232 0.000 0.871 294 L CB 0.875 42.707 42.059 -0.378 0.000 1.242 294 L HN 0.441 nan 8.230 nan 0.000 0.434 295 L N 3.650 124.832 121.223 -0.068 0.000 2.307 295 L HA 0.485 4.826 4.340 0.002 0.000 0.282 295 L C -0.099 176.701 176.870 -0.117 0.000 1.051 295 L CA -0.291 54.528 54.840 -0.035 0.000 0.804 295 L CB 1.536 43.610 42.059 0.025 0.000 1.197 295 L HN 0.556 nan 8.230 nan 0.000 0.431 296 Q N 2.550 122.298 119.800 -0.086 0.000 2.330 296 Q HA 0.670 5.011 4.340 0.002 0.000 0.269 296 Q C -1.217 174.723 176.000 -0.101 0.000 1.022 296 Q CA -0.627 55.120 55.803 -0.093 0.000 0.796 296 Q CB 2.265 31.006 28.738 0.005 0.000 1.271 296 Q HN 0.792 nan 8.270 nan 0.000 0.450 297 A N 4.876 127.588 122.820 -0.181 0.000 2.279 297 A HA 0.659 4.981 4.320 0.002 0.000 0.303 297 A C -2.429 174.900 177.584 -0.425 0.000 1.108 297 A CA -1.640 50.137 52.037 -0.433 0.000 0.830 297 A CB 0.188 19.034 19.000 -0.257 0.000 1.106 297 A HN 0.621 nan 8.150 nan 0.000 0.493 298 P HA -0.000 nan 4.420 nan 0.000 0.261 298 P C -0.647 176.557 177.300 -0.161 0.000 1.173 298 P CA 0.836 63.731 63.100 -0.342 0.000 0.760 298 P CB 0.099 31.592 31.700 -0.345 0.000 0.783 299 D N 0.070 120.424 120.400 -0.077 0.000 2.792 299 D HA -0.188 4.453 4.640 0.002 0.000 0.231 299 D C -0.030 176.256 176.300 -0.023 0.000 1.160 299 D CA 1.283 55.267 54.000 -0.028 0.000 0.697 299 D CB -0.497 40.289 40.800 -0.024 0.000 1.070 299 D HN 0.450 nan 8.370 nan 0.000 0.426 300 E N -0.739 119.441 120.200 -0.033 0.000 2.343 300 E HA 0.659 5.010 4.350 0.002 0.000 0.270 300 E C -0.091 176.496 176.600 -0.021 0.000 0.895 300 E CA -0.762 55.619 56.400 -0.031 0.000 0.767 300 E CB 1.788 31.453 29.700 -0.059 0.000 1.248 300 E HN 0.136 nan 8.360 nan 0.000 0.440 301 A N 3.224 126.033 122.820 -0.019 0.000 2.445 301 A HA 0.376 4.698 4.320 0.002 0.000 0.242 301 A C -1.963 175.525 177.584 -0.160 0.000 1.075 301 A CA -0.792 51.227 52.037 -0.031 0.000 0.777 301 A CB -0.511 18.497 19.000 0.015 0.000 1.013 301 A HN 0.294 nan 8.150 nan 0.000 0.493 302 P HA 0.179 nan 4.420 nan 0.000 0.272 302 P C -0.607 176.449 177.300 -0.406 0.000 1.223 302 P CA 0.115 62.862 63.100 -0.589 0.000 0.784 302 P CB 0.722 31.595 31.700 -1.379 0.000 0.923 303 E N 0.436 120.460 120.200 -0.294 0.000 2.221 303 E HA 0.449 4.801 4.350 0.002 0.000 0.268 303 E C -0.867 175.464 176.600 -0.449 0.000 0.933 303 E CA -1.049 55.161 56.400 -0.317 0.000 0.809 303 E CB 1.372 30.947 29.700 -0.208 0.000 1.190 303 E HN 0.249 nan 8.360 nan 0.000 0.406 304 L N 3.001 123.849 121.223 -0.624 0.000 2.264 304 L HA 0.430 4.772 4.340 0.002 0.000 0.289 304 L C -1.625 174.710 176.870 -0.892 0.000 1.044 304 L CA 0.039 54.552 54.840 -0.545 0.000 0.807 304 L CB 0.128 42.002 42.059 -0.307 0.000 1.192 304 L HN 0.400 nan 8.230 nan 0.000 0.425 305 F N 4.205 123.938 119.950 -0.362 0.000 2.518 305 F HA 0.496 5.024 4.527 0.002 0.000 0.323 305 F C -0.171 175.389 175.800 -0.400 0.000 1.129 305 F CA -0.947 56.692 58.000 -0.601 0.000 0.920 305 F CB 1.830 40.080 39.000 -1.251 0.000 1.160 305 F HN 0.005 nan 8.300 nan 0.000 0.440 306 V N 4.807 124.646 119.914 -0.124 0.000 2.432 306 V HA 0.273 4.394 4.120 0.002 0.000 0.275 306 V C 0.185 176.386 176.094 0.179 0.000 1.043 306 V CA -0.717 61.600 62.300 0.028 0.000 0.925 306 V CB 1.300 33.171 31.823 0.080 0.000 0.985 306 V HN 0.541 nan 8.190 nan 0.000 0.466 307 L N 7.537 128.884 121.223 0.208 0.000 2.410 307 L HA 0.280 4.621 4.340 0.002 0.000 0.273 307 L C -2.088 174.890 176.870 0.180 0.000 1.152 307 L CA -1.500 53.497 54.840 0.262 0.000 0.855 307 L CB 0.488 42.632 42.059 0.142 0.000 1.129 307 L HN 0.438 nan 8.230 nan 0.000 0.463 308 P HA 0.061 nan 4.420 nan 0.000 0.262 308 P C -2.044 175.305 177.300 0.081 0.000 1.199 308 P CA -0.944 62.226 63.100 0.116 0.000 0.763 308 P CB 0.349 32.101 31.700 0.088 0.000 0.790 309 P HA -0.236 nan 4.420 nan 0.000 0.218 309 P C 1.355 178.685 177.300 0.051 0.000 1.146 309 P CA 1.330 64.471 63.100 0.069 0.000 0.820 309 P CB -0.140 31.604 31.700 0.073 0.000 0.778 310 E N -0.705 119.522 120.200 0.044 0.000 2.274 310 E HA -0.125 4.226 4.350 0.002 0.000 0.194 310 E C 1.528 178.143 176.600 0.025 0.000 0.996 310 E CA 1.001 57.419 56.400 0.031 0.000 0.840 310 E CB -0.964 28.751 29.700 0.026 0.000 0.772 310 E HN 0.222 nan 8.360 nan 0.000 0.491 311 L N 1.036 122.275 121.223 0.027 0.000 2.341 311 L HA 0.046 4.387 4.340 0.002 0.000 0.214 311 L C 0.875 177.759 176.870 0.023 0.000 1.115 311 L CA 0.595 55.446 54.840 0.017 0.000 0.820 311 L CB 0.276 42.337 42.059 0.004 0.000 0.944 311 L HN -0.098 nan 8.230 nan 0.000 0.452 312 V N 1.721 121.652 119.914 0.028 0.000 2.284 312 V HA 0.162 4.283 4.120 0.002 0.000 0.260 312 V C 0.061 176.183 176.094 0.047 0.000 1.084 312 V CA -0.826 61.490 62.300 0.028 0.000 0.894 312 V CB 0.661 32.491 31.823 0.013 0.000 1.119 312 V HN 0.005 nan 8.190 nan 0.000 0.484 313 L N 5.378 126.635 121.223 0.056 0.000 2.410 313 L HA 0.374 4.715 4.340 0.002 0.000 0.273 313 L C 0.230 177.139 176.870 0.065 0.000 1.152 313 L CA 0.821 55.689 54.840 0.046 0.000 0.855 313 L CB 0.236 42.319 42.059 0.041 0.000 1.129 313 L HN 0.646 nan 8.230 nan 0.000 0.463 314 E N 3.215 123.429 120.200 0.023 0.000 2.336 314 E HA 0.593 4.945 4.350 0.002 0.000 0.267 314 E C -1.471 175.068 176.600 -0.102 0.000 0.906 314 E CA -1.035 55.375 56.400 0.017 0.000 0.781 314 E CB 2.437 32.174 29.700 0.061 0.000 1.261 314 E HN 0.359 nan 8.360 nan 0.000 0.436 315 V N 3.169 122.983 119.914 -0.165 0.000 2.376 315 V HA 0.306 4.427 4.120 0.002 0.000 0.287 315 V C -2.273 173.728 176.094 -0.156 0.000 1.015 315 V CA -1.807 60.322 62.300 -0.284 0.000 0.834 315 V CB 1.319 32.696 31.823 -0.743 0.000 1.001 315 V HN 0.540 nan 8.190 nan 0.000 0.428 316 P HA 0.256 nan 4.420 nan 0.000 0.276 316 P C -0.788 176.496 177.300 -0.026 0.000 1.230 316 P CA -0.134 62.918 63.100 -0.080 0.000 0.776 316 P CB 1.180 32.845 31.700 -0.059 0.000 0.888 317 L N 3.567 124.812 121.223 0.036 0.000 2.276 317 L HA 0.417 4.758 4.340 0.002 0.000 0.286 317 L C 1.136 178.151 176.870 0.240 0.000 1.061 317 L CA -0.202 54.723 54.840 0.143 0.000 0.807 317 L CB 0.524 42.731 42.059 0.246 0.000 1.177 317 L HN 0.517 nan 8.230 nan 0.000 0.429 318 E N 1.996 122.299 120.200 0.172 0.000 2.416 318 E HA 0.419 4.770 4.350 0.002 0.000 0.273 318 E C -1.369 175.233 176.600 0.004 0.000 0.935 318 E CA -0.948 55.565 56.400 0.189 0.000 0.784 318 E CB 2.301 32.093 29.700 0.153 0.000 1.301 318 E HN 0.475 nan 8.360 nan 0.000 0.454 319 H N 1.399 120.328 119.070 -0.236 0.000 2.472 319 H HA 0.249 4.806 4.556 0.002 0.000 0.338 319 H C -1.777 173.242 175.328 -0.514 0.000 1.133 319 H CA -2.311 53.452 56.048 -0.475 0.000 1.216 319 H CB 2.073 31.477 29.762 -0.597 0.000 1.497 319 H HN 0.433 nan 8.280 nan 0.000 0.500 320 P HA -0.114 nan 4.420 nan 0.000 0.220 320 P C 0.839 177.992 177.300 -0.246 0.000 1.148 320 P CA 1.680 64.299 63.100 -0.803 0.000 0.803 320 P CB 0.478 31.695 31.700 -0.805 0.000 0.782 321 T N -4.902 109.693 114.554 0.069 0.000 3.010 321 T HA 0.198 4.549 4.350 0.002 0.000 0.253 321 T C 0.809 175.467 174.700 -0.069 0.000 0.939 321 T CA -0.245 61.867 62.100 0.021 0.000 0.910 321 T CB -0.558 68.330 68.868 0.034 0.000 1.226 321 T HN -0.063 nan 8.240 nan 0.000 0.508 322 L N 3.652 124.746 121.223 -0.216 0.000 2.401 322 L HA 0.332 4.673 4.340 0.002 0.000 0.283 322 L C 1.595 178.104 176.870 -0.602 0.000 1.151 322 L CA -0.560 53.890 54.840 -0.649 0.000 0.942 322 L CB 0.610 41.893 42.059 -1.293 0.000 1.283 322 L HN 0.349 nan 8.230 nan 0.000 0.442 323 E N 3.267 123.271 120.200 -0.326 0.000 2.086 323 E HA -0.291 4.060 4.350 0.002 0.000 0.205 323 E C 1.709 178.240 176.600 -0.115 0.000 1.027 323 E CA 2.064 58.380 56.400 -0.139 0.000 0.830 323 E CB -0.418 29.287 29.700 0.008 0.000 0.751 323 E HN 0.761 nan 8.360 nan 0.000 0.456 324 W N 0.035 121.373 121.300 0.064 0.000 2.525 324 W HA 0.032 4.694 4.660 0.002 0.000 0.259 324 W C 1.497 178.058 176.519 0.070 0.000 1.253 324 W CA 0.102 57.476 57.345 0.050 0.000 1.262 324 W CB -1.027 28.441 29.460 0.012 0.000 1.122 324 W HN 0.000 nan 8.180 nan 0.000 0.607 325 F N 2.990 122.626 119.950 -0.522 0.000 2.120 325 F HA -0.207 4.321 4.527 0.002 0.000 0.300 325 F C 2.738 178.543 175.800 0.009 0.000 1.095 325 F CA 3.214 61.052 58.000 -0.270 0.000 1.249 325 F CB -0.619 38.136 39.000 -0.408 0.000 0.995 325 F HN -0.066 nan 8.300 nan 0.000 0.480 326 A N 0.018 122.957 122.820 0.199 0.000 1.978 326 A HA -0.145 4.176 4.320 0.002 0.000 0.220 326 A C 2.282 179.919 177.584 0.089 0.000 1.170 326 A CA 1.636 53.766 52.037 0.155 0.000 0.636 326 A CB -1.470 17.599 19.000 0.113 0.000 0.810 326 A HN 0.467 nan 8.150 nan 0.000 0.448 327 A N -0.525 122.354 122.820 0.099 0.000 2.172 327 A HA 0.101 4.423 4.320 0.002 0.000 0.216 327 A C 1.875 179.492 177.584 0.056 0.000 1.154 327 A CA 1.043 53.132 52.037 0.088 0.000 0.701 327 A CB -0.541 18.534 19.000 0.126 0.000 0.789 327 A HN 0.496 nan 8.150 nan 0.000 0.465 328 L N -0.964 120.261 121.223 0.004 0.000 2.551 328 L HA 0.044 4.385 4.340 0.002 0.000 0.228 328 L C 1.724 178.608 176.870 0.023 0.000 1.153 328 L CA 0.517 55.336 54.840 -0.035 0.000 0.851 328 L CB -0.555 41.371 42.059 -0.221 0.000 0.959 328 L HN 0.557 nan 8.230 nan 0.000 0.451 329 G N 0.976 109.793 108.800 0.028 0.000 2.283 329 G HA2 -0.288 3.673 3.960 0.002 0.000 0.280 329 G HA3 -0.288 3.673 3.960 0.002 0.000 0.280 329 G C 0.118 175.012 174.900 -0.010 0.000 1.029 329 G CA 0.065 45.188 45.100 0.039 0.000 0.840 329 G HN 0.268 nan 8.290 nan 0.000 0.505 330 L N -0.504 120.685 121.223 -0.055 0.000 2.379 330 L HA 0.863 5.205 4.340 0.002 0.000 0.269 330 L C 1.017 177.675 176.870 -0.352 0.000 1.084 330 L CA -0.832 53.891 54.840 -0.196 0.000 0.802 330 L CB 1.191 43.265 42.059 0.026 0.000 1.175 330 L HN 0.588 nan 8.230 nan 0.000 0.448 331 R N 1.079 121.182 120.500 -0.662 0.000 2.741 331 R HA 0.452 4.794 4.340 0.002 0.000 0.276 331 R C -2.319 173.883 176.300 -0.163 0.000 1.028 331 R CA -0.996 54.869 56.100 -0.391 0.000 0.865 331 R CB 1.603 31.621 30.300 -0.470 0.000 1.268 331 R HN 0.680 nan 8.270 nan 0.000 0.475 332 W N 1.861 123.107 121.300 -0.091 0.000 3.248 332 W HA 0.331 4.992 4.660 0.002 0.000 0.311 332 W C -1.254 175.338 176.519 0.122 0.000 1.258 332 W CA -0.953 56.434 57.345 0.071 0.000 1.191 332 W CB 1.817 31.230 29.460 -0.078 0.000 1.389 332 W HN 0.692 nan 8.180 nan 0.000 0.561 333 Y N 1.419 121.591 120.300 -0.213 0.000 2.326 333 Y HA 0.514 5.066 4.550 0.002 0.000 0.333 333 Y C 0.844 176.984 175.900 0.400 0.000 1.240 333 Y CA 0.275 58.384 58.100 0.014 0.000 1.365 333 Y CB 0.210 38.553 38.460 -0.195 0.000 1.289 333 Y HN 0.352 nan 8.280 nan 0.000 0.548 334 A N 2.473 125.577 122.820 0.475 0.000 1.970 334 A HA 0.033 4.354 4.320 0.002 0.000 0.216 334 A C 0.625 178.581 177.584 0.621 0.000 1.170 334 A CA 0.433 52.803 52.037 0.556 0.000 0.645 334 A CB -0.344 18.822 19.000 0.278 0.000 0.816 334 A HN 0.677 nan 8.150 nan 0.000 0.447 335 L N 2.051 123.594 121.223 0.532 0.000 2.259 335 L HA 0.384 4.725 4.340 0.002 0.000 0.288 335 L C -2.495 174.577 176.870 0.337 0.000 1.051 335 L CA -2.190 52.871 54.840 0.368 0.000 0.824 335 L CB 1.372 43.563 42.059 0.220 0.000 1.206 335 L HN 0.000 nan 8.230 nan 0.000 0.429 336 P HA 0.304 nan 4.420 nan 0.000 0.284 336 P C -1.365 175.853 177.300 -0.138 0.000 1.432 336 P CA -0.325 62.649 63.100 -0.210 0.000 0.929 336 P CB 1.176 32.266 31.700 -1.017 0.000 1.158 337 A N 4.664 127.418 122.820 -0.110 0.000 2.431 337 A HA 0.410 4.732 4.320 0.002 0.000 0.318 337 A C -0.038 177.333 177.584 -0.355 0.000 1.330 337 A CA -0.670 51.231 52.037 -0.227 0.000 0.804 337 A CB 0.689 19.584 19.000 -0.176 0.000 1.135 337 A HN 0.294 nan 8.150 nan 0.000 0.483 338 V N 2.777 122.308 119.914 -0.640 0.000 2.585 338 V HA 0.214 4.335 4.120 0.002 0.000 0.296 338 V C 1.215 176.926 176.094 -0.637 0.000 1.035 338 V CA 1.268 63.158 62.300 -0.684 0.000 1.084 338 V CB 1.136 32.348 31.823 -1.019 0.000 0.953 338 V HN 1.082 nan 8.190 nan 0.000 0.483 339 S N 1.458 116.981 115.700 -0.296 0.000 2.780 339 S HA 0.067 4.538 4.470 0.002 0.000 0.248 339 S C 0.743 175.334 174.600 -0.015 0.000 1.036 339 S CA 0.051 58.162 58.200 -0.149 0.000 1.061 339 S CB -0.409 62.739 63.200 -0.087 0.000 1.037 339 S HN 0.922 nan 8.310 nan 0.000 0.584 340 N N 0.319 119.019 118.700 -0.000 0.000 2.184 340 N HA 0.301 5.042 4.740 0.002 0.000 0.206 340 N C 0.195 175.776 175.510 0.118 0.000 1.151 340 N CA -0.496 52.598 53.050 0.072 0.000 0.878 340 N CB 0.114 38.646 38.487 0.075 0.000 1.014 340 N HN 0.252 nan 8.380 nan 0.000 0.512 341 M N 1.482 121.168 119.600 0.143 0.000 2.288 341 M HA 0.302 4.784 4.480 0.002 0.000 0.334 341 M C -0.529 175.928 176.300 0.262 0.000 1.150 341 M CA -0.773 54.661 55.300 0.223 0.000 1.118 341 M CB 2.288 35.055 32.600 0.279 0.000 1.501 341 M HN 0.143 nan 8.290 nan 0.000 0.462 342 L N 2.956 124.315 121.223 0.226 0.000 2.309 342 L HA 0.526 4.867 4.340 0.002 0.000 0.282 342 L C -1.375 175.609 176.870 0.191 0.000 1.036 342 L CA -0.914 54.043 54.840 0.194 0.000 0.806 342 L CB 1.105 43.227 42.059 0.105 0.000 1.220 342 L HN 0.586 nan 8.230 nan 0.000 0.429 343 L N 5.286 126.614 121.223 0.175 0.000 2.265 343 L HA 0.442 4.783 4.340 0.002 0.000 0.289 343 L C -0.490 176.392 176.870 0.021 0.000 1.033 343 L CA 0.232 55.054 54.840 -0.031 0.000 0.814 343 L CB 1.076 43.107 42.059 -0.046 0.000 1.203 343 L HN 0.636 nan 8.230 nan 0.000 0.423 344 E N 6.747 126.877 120.200 -0.116 0.000 2.129 344 E HA 0.380 4.731 4.350 0.002 0.000 0.268 344 E C -1.556 174.955 176.600 -0.148 0.000 0.900 344 E CA -0.397 55.946 56.400 -0.095 0.000 0.755 344 E CB 0.993 30.637 29.700 -0.093 0.000 1.117 344 E HN 0.707 nan 8.360 nan 0.000 0.410 345 I N 2.333 122.819 120.570 -0.139 0.000 2.466 345 I HA 0.285 4.456 4.170 0.002 0.000 0.289 345 I C 0.907 176.814 176.117 -0.350 0.000 1.026 345 I CA -0.823 60.279 61.300 -0.331 0.000 1.078 345 I CB 2.069 39.812 38.000 -0.427 0.000 1.249 345 I HN 0.762 nan 8.210 nan 0.000 0.429 346 G N 4.269 112.882 108.800 -0.313 0.000 2.422 346 G HA2 -0.119 3.842 3.960 0.002 0.000 0.301 346 G HA3 -0.119 3.842 3.960 0.002 0.000 0.301 346 G C 1.057 176.014 174.900 0.095 0.000 0.981 346 G CA 0.956 46.060 45.100 0.007 0.000 0.994 346 G HN 1.544 nan 8.290 nan 0.000 0.514 347 G N -1.920 106.885 108.800 0.009 0.000 2.284 347 G HA2 -0.263 3.699 3.960 0.002 0.000 0.247 347 G HA3 -0.263 3.699 3.960 0.002 0.000 0.247 347 G C 0.581 175.425 174.900 -0.093 0.000 1.012 347 G CA 0.490 45.594 45.100 0.008 0.000 0.618 347 G HN 1.260 nan 8.290 nan 0.000 0.521 348 L N 0.854 121.958 121.223 -0.197 0.000 2.395 348 L HA 0.595 4.936 4.340 0.002 0.000 0.269 348 L C 0.352 176.972 176.870 -0.417 0.000 1.133 348 L CA -0.308 54.294 54.840 -0.398 0.000 0.812 348 L CB 0.984 42.695 42.059 -0.579 0.000 1.125 348 L HN 0.211 nan 8.230 nan 0.000 0.452 349 E N 2.163 122.044 120.200 -0.532 0.000 2.199 349 E HA 0.380 4.732 4.350 0.002 0.000 0.265 349 E C -1.531 174.724 176.600 -0.576 0.000 0.882 349 E CA -0.426 55.737 56.400 -0.395 0.000 0.759 349 E CB 1.766 31.346 29.700 -0.199 0.000 1.148 349 E HN 0.255 nan 8.360 nan 0.000 0.412 350 F N 2.018 121.935 119.950 -0.055 0.000 2.293 350 F HA 0.105 4.633 4.527 0.002 0.000 0.370 350 F C 1.546 177.380 175.800 0.058 0.000 1.090 350 F CA -0.518 57.477 58.000 -0.009 0.000 1.133 350 F CB 1.165 40.142 39.000 -0.038 0.000 1.360 350 F HN 0.447 nan 8.300 nan 0.000 0.489 351 S N 1.533 117.333 115.700 0.168 0.000 2.447 351 S HA 0.109 4.580 4.470 0.002 0.000 0.233 351 S C 0.864 175.599 174.600 0.226 0.000 1.006 351 S CA 0.474 58.776 58.200 0.169 0.000 0.957 351 S CB -0.011 63.270 63.200 0.135 0.000 0.773 351 S HN 0.507 nan 8.310 nan 0.000 0.507 352 A N 0.439 123.437 122.820 0.297 0.000 2.409 352 A HA 0.827 5.149 4.320 0.002 0.000 0.300 352 A C -0.163 177.669 177.584 0.414 0.000 1.273 352 A CA -0.183 52.061 52.037 0.345 0.000 0.774 352 A CB 0.904 20.108 19.000 0.342 0.000 1.144 352 A HN 0.968 nan 8.150 nan 0.000 0.472 353 A N 4.192 127.200 122.820 0.315 0.000 3.409 353 A HA 0.631 4.952 4.320 0.002 0.000 0.282 353 A C -2.912 174.811 177.584 0.233 0.000 1.064 353 A CA -1.030 51.147 52.037 0.234 0.000 0.889 353 A CB 0.342 19.489 19.000 0.245 0.000 1.251 353 A HN 0.520 nan 8.150 nan 0.000 0.538 354 P HA 0.332 nan 4.420 nan 0.000 0.265 354 P C -0.757 176.560 177.300 0.029 0.000 1.193 354 P CA 0.551 63.615 63.100 -0.062 0.000 0.765 354 P CB 0.182 31.797 31.700 -0.140 0.000 0.823 355 F N 0.161 120.068 119.950 -0.072 0.000 2.576 355 F HA 0.777 5.305 4.527 0.002 0.000 0.313 355 F C -0.609 175.126 175.800 -0.108 0.000 1.078 355 F CA -1.207 56.753 58.000 -0.067 0.000 0.921 355 F CB 1.708 40.545 39.000 -0.271 0.000 1.232 355 F HN 0.410 nan 8.300 nan 0.000 0.459 356 S N 0.545 116.363 115.700 0.197 0.000 2.556 356 S HA 0.948 5.419 4.470 0.002 0.000 0.271 356 S C -0.710 173.876 174.600 -0.024 0.000 1.135 356 S CA -0.170 58.076 58.200 0.075 0.000 0.858 356 S CB 1.508 64.820 63.200 0.186 0.000 1.114 356 S HN 1.472 nan 8.310 nan 0.000 0.468 357 G N 0.028 108.775 108.800 -0.089 0.000 3.341 357 G HA2 0.700 4.661 3.960 0.002 0.000 0.186 357 G HA3 0.700 4.661 3.960 0.002 0.000 0.186 357 G C -1.478 173.484 174.900 0.103 0.000 1.430 357 G CA -0.132 44.864 45.100 -0.173 0.000 0.961 357 G HN 1.188 nan 8.290 nan 0.000 0.767 358 W N -1.459 119.847 121.300 0.009 0.000 3.075 358 W HA 0.814 5.475 4.660 0.002 0.000 0.334 358 W C -1.826 174.693 176.519 -0.000 0.000 1.243 358 W CA -2.072 55.295 57.345 0.038 0.000 1.170 358 W CB 0.491 30.011 29.460 0.099 0.000 1.452 358 W HN 0.367 nan 8.180 nan 0.000 0.572 359 Y N 2.566 123.045 120.300 0.299 0.000 2.304 359 Y HA 0.358 4.909 4.550 0.002 0.000 0.327 359 Y C 0.754 176.698 175.900 0.074 0.000 1.209 359 Y CA -0.733 57.421 58.100 0.089 0.000 1.299 359 Y CB 1.383 39.797 38.460 -0.077 0.000 1.249 359 Y HN 0.437 nan 8.280 nan 0.000 0.519 360 M N 2.466 122.210 119.600 0.240 0.000 2.180 360 M HA 0.192 4.673 4.480 0.002 0.000 0.350 360 M C 1.061 177.357 176.300 -0.005 0.000 1.125 360 M CA -0.272 55.100 55.300 0.119 0.000 1.031 360 M CB 1.074 33.723 32.600 0.083 0.000 1.623 360 M HN 0.870 nan 8.290 nan 0.000 0.451 361 S N 1.569 117.219 115.700 -0.083 0.000 2.400 361 S HA -0.240 4.231 4.470 0.002 0.000 0.234 361 S C 1.492 175.955 174.600 -0.228 0.000 1.049 361 S CA 2.393 60.470 58.200 -0.205 0.000 1.039 361 S CB -1.516 61.607 63.200 -0.129 0.000 0.856 361 S HN 0.928 nan 8.310 nan 0.000 0.465 362 T N 0.323 114.771 114.554 -0.177 0.000 2.881 362 T HA -0.077 4.274 4.350 0.002 0.000 0.270 362 T C 1.579 176.123 174.700 -0.260 0.000 1.068 362 T CA 1.327 63.274 62.100 -0.255 0.000 1.131 362 T CB -0.655 68.022 68.868 -0.319 0.000 0.871 362 T HN 0.639 nan 8.240 nan 0.000 0.479 363 E N 0.887 120.956 120.200 -0.218 0.000 2.118 363 E HA -0.051 4.301 4.350 0.002 0.000 0.195 363 E C 2.070 178.415 176.600 -0.425 0.000 0.992 363 E CA 1.355 57.626 56.400 -0.214 0.000 0.804 363 E CB -0.295 29.411 29.700 0.010 0.000 0.741 363 E HN 0.595 nan 8.360 nan 0.000 0.458 364 I N 0.100 120.298 120.570 -0.619 0.000 2.364 364 I HA -0.044 4.127 4.170 0.002 0.000 0.241 364 I C 2.578 178.365 176.117 -0.550 0.000 1.082 364 I CA 0.864 61.635 61.300 -0.881 0.000 1.401 364 I CB -0.459 36.925 38.000 -1.027 0.000 1.126 364 I HN 0.100 nan 8.210 nan 0.000 0.429 365 G N 0.045 108.619 108.800 -0.376 0.000 2.448 365 G HA2 -0.154 3.807 3.960 0.002 0.000 0.219 365 G HA3 -0.154 3.807 3.960 0.002 0.000 0.219 365 G C 1.572 176.362 174.900 -0.183 0.000 1.127 365 G CA 1.481 46.448 45.100 -0.223 0.000 0.766 365 G HN 0.302 nan 8.290 nan 0.000 0.552 366 T N -0.368 114.051 114.554 -0.225 0.000 3.111 366 T HA 0.121 4.472 4.350 0.002 0.000 0.236 366 T C 2.497 177.089 174.700 -0.180 0.000 0.984 366 T CA 0.081 62.070 62.100 -0.186 0.000 1.195 366 T CB 0.126 68.865 68.868 -0.214 0.000 0.929 366 T HN -0.003 nan 8.240 nan 0.000 0.431 367 R N 2.006 122.377 120.500 -0.216 0.000 2.057 367 R HA 0.169 4.510 4.340 0.002 0.000 0.229 367 R C 2.122 178.303 176.300 -0.199 0.000 1.136 367 R CA 1.039 57.020 56.100 -0.198 0.000 0.952 367 R CB -1.078 29.102 30.300 -0.200 0.000 0.848 367 R HN 0.307 nan 8.270 nan 0.000 0.430 368 N N 0.889 119.419 118.700 -0.282 0.000 2.142 368 N HA -0.066 4.676 4.740 0.002 0.000 0.186 368 N C 1.947 177.386 175.510 -0.118 0.000 1.023 368 N CA 1.068 53.944 53.050 -0.290 0.000 0.852 368 N CB -0.181 37.811 38.487 -0.825 0.000 0.998 368 N HN 0.180 nan 8.380 nan 0.000 0.424 369 L N -0.873 120.246 121.223 -0.173 0.000 2.354 369 L HA 0.098 4.439 4.340 0.002 0.000 0.212 369 L C 1.384 178.292 176.870 0.063 0.000 1.091 369 L CA 0.378 55.220 54.840 0.003 0.000 0.828 369 L CB 0.166 42.205 42.059 -0.034 0.000 0.973 369 L HN 0.138 nan 8.230 nan 0.000 0.461 370 C N -1.320 117.973 119.300 -0.011 0.000 2.926 370 C HA 0.165 4.626 4.460 0.002 0.000 0.272 370 C C 0.701 175.679 174.990 -0.019 0.000 1.249 370 C CA -0.885 58.135 59.018 0.003 0.000 1.691 370 C CB -0.506 27.222 27.740 -0.020 0.000 1.983 370 C HN 0.289 nan 8.230 nan 0.000 0.615 371 D N 2.864 123.221 120.400 -0.072 0.000 2.455 371 D HA 0.058 4.700 4.640 0.002 0.000 0.241 371 D C -1.018 175.253 176.300 -0.047 0.000 1.138 371 D CA -1.436 52.495 54.000 -0.114 0.000 0.877 371 D CB 0.787 41.366 40.800 -0.369 0.000 1.187 371 D HN 0.186 nan 8.370 nan 0.000 0.451 372 P HA -0.164 nan 4.420 nan 0.000 0.218 372 P C 0.656 178.040 177.300 0.141 0.000 1.148 372 P CA 1.334 64.508 63.100 0.124 0.000 0.822 372 P CB 0.013 31.803 31.700 0.150 0.000 0.784 373 H N -2.312 116.767 119.070 0.015 0.000 2.519 373 H HA 0.371 4.928 4.556 0.002 0.000 0.289 373 H C 0.969 176.302 175.328 0.009 0.000 1.040 373 H CA -0.341 55.712 56.048 0.009 0.000 1.165 373 H CB -0.097 29.670 29.762 0.009 0.000 1.462 373 H HN -0.025 nan 8.280 nan 0.000 0.555 374 R N -0.203 120.188 120.500 -0.181 0.000 2.845 374 R HA 0.189 4.531 4.340 0.002 0.000 0.112 374 R C 1.031 177.293 176.300 -0.064 0.000 1.012 374 R CA -0.668 55.363 56.100 -0.115 0.000 0.744 374 R CB -0.853 29.396 30.300 -0.084 0.000 0.926 374 R HN 0.100 nan 8.270 nan 0.000 0.376 375 Y N 1.687 121.999 120.300 0.020 0.000 2.509 375 Y HA -0.078 4.473 4.550 0.002 0.000 0.293 375 Y C 0.685 176.611 175.900 0.044 0.000 1.133 375 Y CA 0.998 59.130 58.100 0.053 0.000 1.283 375 Y CB -0.272 38.262 38.460 0.124 0.000 1.001 375 Y HN 0.469 nan 8.280 nan 0.000 0.555 376 N N 0.869 119.657 118.700 0.145 0.000 2.686 376 N HA -0.237 4.505 4.740 0.002 0.000 0.261 376 N C 0.375 175.969 175.510 0.140 0.000 1.001 376 N CA 0.836 53.952 53.050 0.111 0.000 0.764 376 N CB -1.328 37.206 38.487 0.078 0.000 0.898 376 N HN 0.677 nan 8.380 nan 0.000 0.544 377 I N -3.385 117.283 120.570 0.164 0.000 3.793 377 I HA 0.059 4.231 4.170 0.002 0.000 0.315 377 I C 1.488 177.705 176.117 0.165 0.000 1.275 377 I CA -0.404 60.992 61.300 0.160 0.000 1.214 377 I CB -0.072 38.029 38.000 0.168 0.000 1.018 377 I HN 0.071 nan 8.210 nan 0.000 0.439 378 L N 1.813 123.143 121.223 0.178 0.000 1.971 378 L HA -0.248 4.093 4.340 0.002 0.000 0.215 378 L C 2.605 179.693 176.870 0.363 0.000 1.072 378 L CA 2.199 57.182 54.840 0.239 0.000 0.758 378 L CB -1.136 41.032 42.059 0.182 0.000 0.889 378 L HN 0.494 nan 8.230 nan 0.000 0.433 379 E N -1.015 119.397 120.200 0.353 0.000 2.058 379 E HA -0.244 4.108 4.350 0.002 0.000 0.194 379 E C 1.792 178.429 176.600 0.061 0.000 0.997 379 E CA 1.396 57.916 56.400 0.200 0.000 0.801 379 E CB 0.039 29.787 29.700 0.080 0.000 0.746 379 E HN 0.487 nan 8.360 nan 0.000 0.450 380 D N -0.070 120.371 120.400 0.067 0.000 2.116 380 D HA -0.169 4.473 4.640 0.002 0.000 0.193 380 D C 2.046 178.348 176.300 0.004 0.000 0.998 380 D CA 1.260 55.268 54.000 0.013 0.000 0.836 380 D CB -0.283 40.535 40.800 0.030 0.000 0.951 380 D HN 0.128 nan 8.370 nan 0.000 0.449 381 V N 1.356 121.330 119.914 0.100 0.000 2.427 381 V HA -0.202 3.919 4.120 0.002 0.000 0.248 381 V C 2.520 178.701 176.094 0.145 0.000 1.051 381 V CA 1.641 64.051 62.300 0.183 0.000 1.048 381 V CB -0.761 31.250 31.823 0.312 0.000 0.666 381 V HN 0.177 nan 8.190 nan 0.000 0.456 382 A N -0.027 122.888 122.820 0.160 0.000 1.877 382 A HA -0.159 4.162 4.320 0.002 0.000 0.216 382 A C 2.387 179.941 177.584 -0.049 0.000 1.186 382 A CA 2.089 54.210 52.037 0.139 0.000 0.620 382 A CB -0.717 18.428 19.000 0.242 0.000 0.822 382 A HN 0.333 nan 8.150 nan 0.000 0.443 383 V N -0.851 118.984 119.914 -0.131 0.000 2.407 383 V HA -0.309 3.813 4.120 0.002 0.000 0.248 383 V C 2.590 178.518 176.094 -0.277 0.000 1.055 383 V CA 1.964 64.145 62.300 -0.199 0.000 1.049 383 V CB -1.062 30.649 31.823 -0.188 0.000 0.662 383 V HN 0.713 nan 8.190 nan 0.000 0.455 384 C N -0.507 118.557 119.300 -0.394 0.000 2.435 384 C HA -0.089 4.372 4.460 0.002 0.000 0.279 384 C C 2.656 177.149 174.990 -0.829 0.000 1.321 384 C CA 0.886 59.404 59.018 -0.833 0.000 1.752 384 C CB -0.936 25.972 27.740 -1.387 0.000 1.959 384 C HN 0.528 nan 8.230 nan 0.000 0.500 385 M N -0.016 119.373 119.600 -0.352 0.000 2.595 385 M HA 0.015 4.496 4.480 0.002 0.000 0.248 385 M C 0.618 176.884 176.300 -0.057 0.000 1.119 385 M CA 0.965 56.245 55.300 -0.034 0.000 1.079 385 M CB -0.271 32.431 32.600 0.170 0.000 1.472 385 M HN 0.256 nan 8.290 nan 0.000 0.501 386 D N 1.307 121.627 120.400 -0.134 0.000 2.775 386 D HA -0.145 4.496 4.640 0.002 0.000 0.235 386 D C -0.898 175.368 176.300 -0.056 0.000 1.120 386 D CA 0.440 54.377 54.000 -0.105 0.000 0.708 386 D CB -1.116 39.633 40.800 -0.085 0.000 1.084 386 D HN 0.288 nan 8.370 nan 0.000 0.434 387 L N -0.111 121.085 121.223 -0.045 0.000 2.439 387 L HA 0.370 4.711 4.340 0.002 0.000 0.259 387 L C 0.945 177.764 176.870 -0.085 0.000 1.129 387 L CA -0.743 54.096 54.840 -0.002 0.000 0.803 387 L CB 0.626 42.747 42.059 0.104 0.000 1.161 387 L HN 0.010 nan 8.230 nan 0.000 0.462 388 D N 0.234 120.608 120.400 -0.044 0.000 2.435 388 D HA 0.018 4.659 4.640 0.002 0.000 0.230 388 D C 0.991 177.146 176.300 -0.242 0.000 1.215 388 D CA -0.245 53.695 54.000 -0.099 0.000 0.947 388 D CB 0.670 41.461 40.800 -0.014 0.000 1.048 388 D HN 0.564 nan 8.370 nan 0.000 0.512 389 T N 0.760 115.000 114.554 -0.523 0.000 3.252 389 T HA 0.062 4.413 4.350 0.002 0.000 0.250 389 T C 1.494 175.920 174.700 -0.456 0.000 1.123 389 T CA -0.025 61.441 62.100 -1.058 0.000 1.006 389 T CB -0.058 68.073 68.868 -1.228 0.000 0.992 389 T HN 0.253 nan 8.240 nan 0.000 0.547 390 R N 0.420 120.798 120.500 -0.203 0.000 2.115 390 R HA 0.107 4.448 4.340 0.002 0.000 0.226 390 R C 0.988 177.306 176.300 0.030 0.000 1.100 390 R CA 0.861 56.918 56.100 -0.072 0.000 0.980 390 R CB -0.114 30.157 30.300 -0.047 0.000 0.875 390 R HN 0.402 nan 8.270 nan 0.000 0.445 391 T N -1.297 113.319 114.554 0.103 0.000 2.900 391 T HA 0.127 4.478 4.350 0.002 0.000 0.303 391 T C 1.056 175.936 174.700 0.300 0.000 1.142 391 T CA -0.446 61.754 62.100 0.167 0.000 1.007 391 T CB 1.946 70.875 68.868 0.102 0.000 1.156 391 T HN 0.227 nan 8.240 nan 0.000 0.490 392 T N 0.425 115.110 114.554 0.217 0.000 2.821 392 T HA -0.101 4.250 4.350 0.002 0.000 0.267 392 T C 2.157 176.908 174.700 0.084 0.000 1.046 392 T CA 1.779 63.961 62.100 0.136 0.000 1.139 392 T CB -0.817 68.084 68.868 0.055 0.000 0.871 392 T HN 0.697 nan 8.240 nan 0.000 0.454 393 S N 2.312 118.064 115.700 0.086 0.000 2.493 393 S HA -0.115 4.356 4.470 0.002 0.000 0.243 393 S C 2.129 176.776 174.600 0.078 0.000 0.991 393 S CA 1.079 59.316 58.200 0.062 0.000 0.957 393 S CB -1.010 62.221 63.200 0.052 0.000 0.756 393 S HN 0.795 nan 8.310 nan 0.000 0.521 394 S N 1.547 117.329 115.700 0.138 0.000 2.562 394 S HA 0.251 4.722 4.470 0.002 0.000 0.221 394 S C 0.939 175.621 174.600 0.138 0.000 0.975 394 S CA 0.221 58.509 58.200 0.148 0.000 0.918 394 S CB -0.960 62.357 63.200 0.196 0.000 0.772 394 S HN 0.645 nan 8.310 nan 0.000 0.531 395 L N 0.845 122.117 121.223 0.083 0.000 3.717 395 L HA -0.179 4.163 4.340 0.002 0.000 0.414 395 L C 1.646 178.529 176.870 0.022 0.000 1.228 395 L CA 0.674 55.505 54.840 -0.014 0.000 0.918 395 L CB -2.522 39.538 42.059 0.003 0.000 1.865 395 L HN 0.730 nan 8.230 nan 0.000 0.922 396 W N 0.058 121.372 121.300 0.022 0.000 2.363 396 W HA -0.147 4.514 4.660 0.001 0.000 0.296 396 W C 1.766 178.305 176.519 0.034 0.000 1.212 396 W CA 1.372 58.733 57.345 0.027 0.000 1.260 396 W CB -0.729 28.744 29.460 0.020 0.000 1.131 396 W HN 0.271 nan 8.180 nan 0.000 0.530 397 K N 1.161 121.125 120.400 -0.726 0.000 2.002 397 K HA -0.183 4.138 4.320 0.002 0.000 0.209 397 K C 1.562 178.021 176.600 -0.235 0.000 1.048 397 K CA 2.488 58.374 56.287 -0.668 0.000 0.930 397 K CB -0.487 31.457 32.500 -0.927 0.000 0.714 397 K HN 0.039 nan 8.250 nan 0.000 0.438 398 D N 0.706 120.987 120.400 -0.199 0.000 2.123 398 D HA -0.155 4.486 4.640 0.002 0.000 0.196 398 D C 1.715 178.007 176.300 -0.014 0.000 0.992 398 D CA 1.339 55.285 54.000 -0.091 0.000 0.833 398 D CB -0.013 40.743 40.800 -0.072 0.000 0.954 398 D HN 0.147 nan 8.370 nan 0.000 0.455 399 K N 0.309 120.727 120.400 0.031 0.000 2.026 399 K HA -0.020 4.302 4.320 0.002 0.000 0.208 399 K C 2.218 178.891 176.600 0.121 0.000 1.048 399 K CA 1.139 57.478 56.287 0.086 0.000 0.929 399 K CB -0.149 32.423 32.500 0.121 0.000 0.713 399 K HN 0.107 nan 8.250 nan 0.000 0.439 400 A N 1.452 124.364 122.820 0.154 0.000 1.898 400 A HA -0.082 4.239 4.320 0.002 0.000 0.216 400 A C 2.364 180.039 177.584 0.152 0.000 1.181 400 A CA 1.707 53.865 52.037 0.202 0.000 0.620 400 A CB -0.660 18.498 19.000 0.263 0.000 0.819 400 A HN 0.328 nan 8.150 nan 0.000 0.442 401 A N -0.469 122.396 122.820 0.075 0.000 1.908 401 A HA -0.058 4.263 4.320 0.002 0.000 0.218 401 A C 2.216 179.817 177.584 0.028 0.000 1.181 401 A CA 1.919 53.974 52.037 0.030 0.000 0.627 401 A CB -0.938 18.042 19.000 -0.034 0.000 0.818 401 A HN 0.405 nan 8.150 nan 0.000 0.445 402 V N 0.224 120.163 119.914 0.040 0.000 2.427 402 V HA -0.185 3.936 4.120 0.002 0.000 0.248 402 V C 2.501 178.630 176.094 0.060 0.000 1.051 402 V CA 2.047 64.374 62.300 0.045 0.000 1.048 402 V CB -0.654 31.203 31.823 0.057 0.000 0.666 402 V HN 0.520 nan 8.190 nan 0.000 0.456 403 E N -0.036 120.229 120.200 0.108 0.000 2.152 403 E HA -0.085 4.266 4.350 0.002 0.000 0.192 403 E C 2.127 178.766 176.600 0.064 0.000 0.983 403 E CA 1.064 57.556 56.400 0.153 0.000 0.818 403 E CB -0.208 29.621 29.700 0.216 0.000 0.758 403 E HN 0.583 nan 8.360 nan 0.000 0.467 404 I N 1.273 121.904 120.570 0.101 0.000 2.252 404 I HA -0.259 3.912 4.170 0.002 0.000 0.245 404 I C 1.687 177.778 176.117 -0.042 0.000 1.102 404 I CA 0.988 62.339 61.300 0.084 0.000 1.385 404 I CB -0.299 37.817 38.000 0.193 0.000 1.064 404 I HN 0.020 nan 8.210 nan 0.000 0.414 405 N N 0.672 119.347 118.700 -0.042 0.000 2.188 405 N HA -0.157 4.584 4.740 0.002 0.000 0.184 405 N C 1.676 177.136 175.510 -0.083 0.000 1.018 405 N CA 0.811 53.817 53.050 -0.074 0.000 0.858 405 N CB -0.193 38.259 38.487 -0.057 0.000 0.989 405 N HN 0.148 nan 8.380 nan 0.000 0.426 406 L N 0.838 122.003 121.223 -0.096 0.000 2.017 406 L HA -0.038 4.303 4.340 0.002 0.000 0.208 406 L C 2.029 178.752 176.870 -0.246 0.000 1.073 406 L CA 1.523 56.266 54.840 -0.162 0.000 0.745 406 L CB -0.949 40.978 42.059 -0.221 0.000 0.894 406 L HN 0.166 nan 8.230 nan 0.000 0.432 407 A N -1.176 121.428 122.820 -0.361 0.000 1.908 407 A HA -0.192 4.129 4.320 0.002 0.000 0.218 407 A C 2.271 179.762 177.584 -0.155 0.000 1.181 407 A CA 2.200 53.979 52.037 -0.431 0.000 0.627 407 A CB -1.182 17.268 19.000 -0.916 0.000 0.818 407 A HN 0.326 nan 8.150 nan 0.000 0.445 408 V N -0.058 119.793 119.914 -0.104 0.000 2.295 408 V HA -0.273 3.848 4.120 0.002 0.000 0.246 408 V C 2.581 178.705 176.094 0.049 0.000 1.049 408 V CA 2.043 64.342 62.300 -0.001 0.000 1.024 408 V CB -0.805 30.948 31.823 -0.116 0.000 0.648 408 V HN 0.575 nan 8.190 nan 0.000 0.447 409 L N -0.531 120.677 121.223 -0.026 0.000 2.017 409 L HA -0.234 4.108 4.340 0.002 0.000 0.208 409 L C 2.628 179.526 176.870 0.046 0.000 1.073 409 L CA 2.232 57.072 54.840 -0.001 0.000 0.745 409 L CB -0.824 41.224 42.059 -0.019 0.000 0.894 409 L HN 0.496 nan 8.230 nan 0.000 0.432 410 H N -0.275 118.748 119.070 -0.079 0.000 2.290 410 H HA -0.157 4.400 4.556 0.002 0.000 0.298 410 H C 2.359 177.667 175.328 -0.034 0.000 1.087 410 H CA 2.076 58.069 56.048 -0.092 0.000 1.291 410 H CB -0.114 29.531 29.762 -0.195 0.000 1.369 410 H HN 0.143 nan 8.280 nan 0.000 0.492 411 S N -0.318 115.304 115.700 -0.130 0.000 2.359 411 S HA -0.169 4.302 4.470 0.002 0.000 0.224 411 S C 2.054 176.591 174.600 -0.105 0.000 1.035 411 S CA 1.497 59.606 58.200 -0.151 0.000 1.018 411 S CB -0.624 62.583 63.200 0.012 0.000 0.876 411 S HN 0.400 nan 8.310 nan 0.000 0.448 412 F N 1.699 121.575 119.950 -0.123 0.000 2.186 412 F HA -0.119 4.409 4.527 0.002 0.000 0.299 412 F C 2.749 178.485 175.800 -0.105 0.000 1.090 412 F CA 1.052 59.004 58.000 -0.080 0.000 1.307 412 F CB -0.248 38.730 39.000 -0.038 0.000 1.019 412 F HN 0.209 nan 8.300 nan 0.000 0.489 413 Q N -0.381 119.439 119.800 0.033 0.000 2.119 413 Q HA -0.191 4.150 4.340 0.002 0.000 0.201 413 Q C 2.145 178.076 176.000 -0.115 0.000 0.972 413 Q CA 1.214 56.993 55.803 -0.040 0.000 0.847 413 Q CB -0.291 28.419 28.738 -0.046 0.000 0.903 413 Q HN 0.365 nan 8.270 nan 0.000 0.433 414 L N 0.274 121.363 121.223 -0.222 0.000 2.056 414 L HA -0.069 4.272 4.340 0.002 0.000 0.207 414 L C 1.898 178.674 176.870 -0.157 0.000 1.078 414 L CA 1.823 56.524 54.840 -0.231 0.000 0.749 414 L CB -0.438 41.400 42.059 -0.368 0.000 0.901 414 L HN 0.113 nan 8.230 nan 0.000 0.433 415 A N -1.442 121.278 122.820 -0.168 0.000 2.235 415 A HA 0.011 4.332 4.320 0.002 0.000 0.208 415 A C 0.678 178.193 177.584 -0.115 0.000 1.172 415 A CA 0.057 52.002 52.037 -0.153 0.000 0.786 415 A CB -0.384 18.483 19.000 -0.222 0.000 0.804 415 A HN 0.387 nan 8.150 nan 0.000 0.479 416 K N -0.939 119.408 120.400 -0.089 0.000 3.244 416 K HA -0.129 4.193 4.320 0.002 0.000 0.270 416 K C -0.752 175.821 176.600 -0.045 0.000 1.016 416 K CA 0.757 57.008 56.287 -0.060 0.000 0.754 416 K CB -2.473 29.992 32.500 -0.058 0.000 1.326 416 K HN 0.291 nan 8.250 nan 0.000 0.465 417 V N 0.841 120.746 119.914 -0.016 0.000 2.540 417 V HA 0.220 4.341 4.120 0.002 0.000 0.302 417 V C 0.720 176.912 176.094 0.163 0.000 1.035 417 V CA -0.801 61.530 62.300 0.051 0.000 0.873 417 V CB 2.187 33.999 31.823 -0.018 0.000 0.992 417 V HN 0.324 nan 8.190 nan 0.000 0.428 418 T N 5.802 120.407 114.554 0.084 0.000 2.934 418 T HA 0.453 4.804 4.350 0.002 0.000 0.306 418 T C -0.275 174.478 174.700 0.087 0.000 1.042 418 T CA 0.884 62.955 62.100 -0.049 0.000 1.145 418 T CB 0.114 68.805 68.868 -0.296 0.000 0.982 418 T HN 0.576 nan 8.240 nan 0.000 0.544 419 I N 2.224 122.770 120.570 -0.039 0.000 2.842 419 I HA 0.544 4.715 4.170 0.002 0.000 0.296 419 I C -1.714 174.407 176.117 0.008 0.000 1.538 419 I CA -0.802 60.503 61.300 0.009 0.000 0.994 419 I CB 1.757 39.672 38.000 -0.141 0.000 1.372 419 I HN 0.450 nan 8.210 nan 0.000 0.478 420 V N 5.511 125.492 119.914 0.112 0.000 2.577 420 V HA 0.524 4.645 4.120 0.002 0.000 0.303 420 V C -1.114 175.030 176.094 0.085 0.000 1.042 420 V CA -0.246 62.129 62.300 0.125 0.000 0.872 420 V CB 2.042 34.034 31.823 0.282 0.000 0.998 420 V HN 0.870 nan 8.190 nan 0.000 0.423 421 D N 4.334 124.764 120.400 0.050 0.000 2.360 421 D HA 0.130 4.771 4.640 0.002 0.000 0.242 421 D C 1.299 177.614 176.300 0.025 0.000 1.184 421 D CA 0.317 54.340 54.000 0.039 0.000 0.930 421 D CB 0.440 41.239 40.800 -0.001 0.000 1.161 421 D HN 0.737 nan 8.370 nan 0.000 0.447 422 H N -0.172 118.832 119.070 -0.109 0.000 2.491 422 H HA -0.126 4.431 4.556 0.002 0.000 0.290 422 H C 0.919 176.146 175.328 -0.168 0.000 1.050 422 H CA 1.267 57.216 56.048 -0.166 0.000 1.309 422 H CB -0.498 29.110 29.762 -0.257 0.000 1.392 422 H HN 0.515 nan 8.280 nan 0.000 0.554 423 H N 1.163 120.041 119.070 -0.321 0.000 2.317 423 H HA 0.169 4.727 4.556 0.002 0.000 0.304 423 H C 2.556 177.859 175.328 -0.040 0.000 1.067 423 H CA 1.316 57.259 56.048 -0.176 0.000 1.352 423 H CB -0.367 29.261 29.762 -0.224 0.000 1.398 423 H HN 0.482 nan 8.280 nan 0.000 0.510 424 A N 1.533 124.411 122.820 0.095 0.000 1.908 424 A HA -0.152 4.169 4.320 0.002 0.000 0.218 424 A C 2.690 180.344 177.584 0.116 0.000 1.181 424 A CA 2.018 54.111 52.037 0.093 0.000 0.627 424 A CB -0.915 18.131 19.000 0.077 0.000 0.818 424 A HN 0.447 nan 8.150 nan 0.000 0.445 425 A N -0.292 122.595 122.820 0.112 0.000 1.883 425 A HA -0.137 4.184 4.320 0.002 0.000 0.217 425 A C 2.461 180.139 177.584 0.156 0.000 1.186 425 A CA 2.726 54.846 52.037 0.139 0.000 0.624 425 A CB -1.471 17.599 19.000 0.117 0.000 0.822 425 A HN 0.817 nan 8.150 nan 0.000 0.444 426 T N -2.798 111.833 114.554 0.128 0.000 2.951 426 T HA -0.045 4.306 4.350 0.002 0.000 0.268 426 T C 1.661 176.493 174.700 0.219 0.000 1.073 426 T CA 1.296 63.497 62.100 0.168 0.000 1.134 426 T CB -0.600 68.334 68.868 0.111 0.000 0.884 426 T HN 0.058 nan 8.240 nan 0.000 0.479 427 V N 2.805 122.821 119.914 0.171 0.000 2.358 427 V HA -0.159 3.962 4.120 0.002 0.000 0.246 427 V C 3.214 179.401 176.094 0.155 0.000 1.047 427 V CA 2.022 64.413 62.300 0.151 0.000 1.035 427 V CB -0.943 30.949 31.823 0.115 0.000 0.658 427 V HN 0.788 nan 8.190 nan 0.000 0.452 428 S N -0.122 115.678 115.700 0.167 0.000 2.402 428 S HA -0.220 4.251 4.470 0.002 0.000 0.229 428 S C 1.973 176.694 174.600 0.201 0.000 1.021 428 S CA 1.500 59.798 58.200 0.163 0.000 0.974 428 S CB -0.733 62.567 63.200 0.167 0.000 0.800 428 S HN 0.503 nan 8.310 nan 0.000 0.484 429 F N 2.178 122.192 119.950 0.106 0.000 2.186 429 F HA 0.060 4.588 4.527 0.002 0.000 0.299 429 F C 2.279 178.171 175.800 0.153 0.000 1.090 429 F CA 1.244 59.321 58.000 0.128 0.000 1.307 429 F CB -0.358 38.697 39.000 0.092 0.000 1.019 429 F HN 0.099 nan 8.300 nan 0.000 0.489 430 M N 0.247 119.931 119.600 0.141 0.000 2.080 430 M HA -0.214 4.267 4.480 0.002 0.000 0.260 430 M C 2.241 178.522 176.300 -0.032 0.000 1.068 430 M CA 1.629 56.956 55.300 0.045 0.000 1.109 430 M CB -1.349 31.320 32.600 0.116 0.000 1.342 430 M HN 0.053 nan 8.290 nan 0.000 0.405 431 K N -0.411 120.001 120.400 0.020 0.000 2.103 431 K HA -0.211 4.110 4.320 0.002 0.000 0.207 431 K C 1.951 178.536 176.600 -0.025 0.000 1.048 431 K CA 1.754 58.046 56.287 0.009 0.000 0.930 431 K CB -0.664 31.863 32.500 0.046 0.000 0.716 431 K HN 0.435 nan 8.250 nan 0.000 0.444 432 H N -0.052 118.929 119.070 -0.149 0.000 2.357 432 H HA 0.029 4.586 4.556 0.002 0.000 0.301 432 H C 1.741 176.910 175.328 -0.266 0.000 1.082 432 H CA 2.096 58.027 56.048 -0.195 0.000 1.342 432 H CB -0.188 29.415 29.762 -0.266 0.000 1.389 432 H HN 0.150 nan 8.280 nan 0.000 0.511 433 L N -0.161 120.776 121.223 -0.476 0.000 2.013 433 L HA -0.210 4.131 4.340 0.002 0.000 0.212 433 L C 2.311 179.021 176.870 -0.267 0.000 1.073 433 L CA 1.972 56.560 54.840 -0.420 0.000 0.753 433 L CB -0.510 41.370 42.059 -0.298 0.000 0.890 433 L HN 0.396 nan 8.230 nan 0.000 0.432 434 D N -0.209 120.084 120.400 -0.178 0.000 2.097 434 D HA -0.184 4.458 4.640 0.002 0.000 0.195 434 D C 1.935 178.162 176.300 -0.122 0.000 0.989 434 D CA 1.137 55.070 54.000 -0.113 0.000 0.827 434 D CB 0.076 40.837 40.800 -0.064 0.000 0.966 434 D HN 0.160 nan 8.370 nan 0.000 0.456 435 N N 0.504 119.121 118.700 -0.139 0.000 2.104 435 N HA -0.142 4.599 4.740 0.002 0.000 0.190 435 N C 1.574 177.002 175.510 -0.137 0.000 1.024 435 N CA 0.882 53.870 53.050 -0.103 0.000 0.853 435 N CB -0.241 38.212 38.487 -0.056 0.000 1.008 435 N HN 0.355 nan 8.380 nan 0.000 0.424 436 E N 0.516 120.554 120.200 -0.271 0.000 2.152 436 E HA -0.121 4.230 4.350 0.002 0.000 0.192 436 E C 1.881 178.391 176.600 -0.150 0.000 0.983 436 E CA 0.438 56.686 56.400 -0.254 0.000 0.818 436 E CB -0.119 29.325 29.700 -0.427 0.000 0.758 436 E HN 0.316 nan 8.360 nan 0.000 0.467 437 Q N 1.617 121.336 119.800 -0.135 0.000 2.096 437 Q HA -0.127 4.215 4.340 0.002 0.000 0.204 437 Q C 1.802 177.765 176.000 -0.062 0.000 0.982 437 Q CA 1.709 57.464 55.803 -0.080 0.000 0.850 437 Q CB 0.016 28.714 28.738 -0.067 0.000 0.901 437 Q HN 0.126 nan 8.270 nan 0.000 0.422 438 K N -0.858 119.506 120.400 -0.061 0.000 2.103 438 K HA 0.011 4.332 4.320 0.002 0.000 0.204 438 K C 1.978 178.556 176.600 -0.038 0.000 1.052 438 K CA 1.011 57.272 56.287 -0.044 0.000 0.945 438 K CB -0.111 32.367 32.500 -0.037 0.000 0.722 438 K HN 0.238 nan 8.250 nan 0.000 0.443 439 A N 1.227 124.024 122.820 -0.039 0.000 1.898 439 A HA -0.027 4.294 4.320 0.002 0.000 0.214 439 A C 1.776 179.345 177.584 -0.026 0.000 1.183 439 A CA 0.956 52.981 52.037 -0.019 0.000 0.622 439 A CB 0.051 19.055 19.000 0.007 0.000 0.824 439 A HN 0.146 nan 8.150 nan 0.000 0.444 440 R N -2.426 118.048 120.500 -0.044 0.000 2.531 440 R HA 0.265 4.607 4.340 0.002 0.000 0.316 440 R C 0.846 177.124 176.300 -0.037 0.000 0.955 440 R CA 0.518 56.595 56.100 -0.037 0.000 1.120 440 R CB 0.733 31.008 30.300 -0.041 0.000 1.361 440 R HN 0.662 nan 8.270 nan 0.000 0.534 441 G N 0.809 109.581 108.800 -0.046 0.000 2.136 441 G HA2 -0.194 3.767 3.960 0.002 0.000 0.242 441 G HA3 -0.194 3.767 3.960 0.002 0.000 0.242 441 G C 0.220 175.110 174.900 -0.017 0.000 0.989 441 G CA 0.038 45.109 45.100 -0.049 0.000 0.682 441 G HN 0.723 nan 8.290 nan 0.000 0.522 442 G N -2.415 106.383 108.800 -0.004 0.000 2.341 442 G HA2 0.547 4.508 3.960 0.002 0.000 0.293 442 G HA3 0.547 4.508 3.960 0.002 0.000 0.293 442 G C -0.931 173.992 174.900 0.039 0.000 1.298 442 G CA 0.393 45.524 45.100 0.052 0.000 0.868 442 G HN 1.896 nan 8.290 nan 0.000 0.540 443 C N 1.967 121.320 119.300 0.088 0.000 2.833 443 C HA 0.685 5.146 4.460 0.002 0.000 0.383 443 C C -2.570 172.388 174.990 -0.053 0.000 1.058 443 C CA -1.052 57.962 59.018 -0.008 0.000 1.259 443 C CB 1.230 28.910 27.740 -0.100 0.000 1.726 443 C HN 0.712 nan 8.230 nan 0.000 0.484 444 P HA 0.423 nan 4.420 nan 0.000 0.271 444 P C -0.698 176.491 177.300 -0.185 0.000 1.220 444 P CA 0.514 63.222 63.100 -0.653 0.000 0.768 444 P CB 1.174 32.257 31.700 -1.028 0.000 0.848 445 A N 2.530 125.307 122.820 -0.071 0.000 2.488 445 A HA 0.408 4.729 4.320 0.002 0.000 0.298 445 A C -1.150 176.484 177.584 0.082 0.000 1.044 445 A CA -0.567 51.521 52.037 0.084 0.000 0.693 445 A CB 1.306 20.474 19.000 0.281 0.000 1.272 445 A HN 0.450 nan 8.150 nan 0.000 0.402 446 D N 1.922 122.359 120.400 0.063 0.000 2.443 446 D HA 0.160 4.801 4.640 0.002 0.000 0.221 446 D C 0.793 177.213 176.300 0.199 0.000 1.097 446 D CA -0.462 53.603 54.000 0.108 0.000 0.865 446 D CB 0.425 41.228 40.800 0.005 0.000 1.034 446 D HN 0.584 nan 8.370 nan 0.000 0.511 447 W N 4.369 125.704 121.300 0.059 0.000 2.318 447 W HA -0.279 4.382 4.660 0.002 0.000 0.313 447 W C 1.973 178.528 176.519 0.060 0.000 1.221 447 W CA 2.419 59.789 57.345 0.042 0.000 1.266 447 W CB -0.058 29.405 29.460 0.005 0.000 1.150 447 W HN 0.566 nan 8.180 nan 0.000 0.496 448 A N -1.184 121.907 122.820 0.452 0.000 1.978 448 A HA -0.218 4.103 4.320 0.002 0.000 0.220 448 A C 1.549 179.226 177.584 0.156 0.000 1.170 448 A CA 1.720 53.953 52.037 0.327 0.000 0.636 448 A CB -1.324 17.905 19.000 0.382 0.000 0.810 448 A HN 0.537 nan 8.150 nan 0.000 0.448 449 W N -0.745 120.526 121.300 -0.048 0.000 2.704 449 W HA 0.167 4.828 4.660 0.002 0.000 0.266 449 W C 1.902 178.309 176.519 -0.186 0.000 1.266 449 W CA 0.016 57.309 57.345 -0.087 0.000 1.377 449 W CB -0.064 29.372 29.460 -0.040 0.000 1.082 449 W HN 0.152 nan 8.180 nan 0.000 0.608 450 I N -0.197 120.339 120.570 -0.056 0.000 2.286 450 I HA -0.088 4.083 4.170 0.002 0.000 0.245 450 I C 0.666 176.585 176.117 -0.330 0.000 1.104 450 I CA 0.801 61.937 61.300 -0.273 0.000 1.397 450 I CB -1.541 36.221 38.000 -0.398 0.000 1.072 450 I HN -0.420 nan 8.210 nan 0.000 0.417 451 V N 3.983 123.618 119.914 -0.465 0.000 2.485 451 V HA 0.060 4.181 4.120 0.002 0.000 0.287 451 V C -1.849 174.070 176.094 -0.292 0.000 1.022 451 V CA -1.014 61.003 62.300 -0.472 0.000 1.067 451 V CB -0.006 31.309 31.823 -0.847 0.000 0.967 451 V HN 0.132 nan 8.190 nan 0.000 0.479 452 P HA 0.068 nan 4.420 nan 0.000 0.267 452 P C -1.798 175.373 177.300 -0.216 0.000 1.201 452 P CA -0.900 62.076 63.100 -0.207 0.000 0.775 452 P CB 0.017 31.607 31.700 -0.184 0.000 0.854 453 P HA 0.014 nan 4.420 nan 0.000 0.237 453 P C 0.165 177.353 177.300 -0.188 0.000 1.178 453 P CA 1.104 64.082 63.100 -0.204 0.000 0.766 453 P CB 0.013 31.583 31.700 -0.216 0.000 0.876 454 I N -6.885 113.543 120.570 -0.238 0.000 2.969 454 I HA 0.451 4.622 4.170 0.002 0.000 0.307 454 I C -0.154 175.864 176.117 -0.166 0.000 1.149 454 I CA -1.283 59.898 61.300 -0.199 0.000 1.008 454 I CB 1.965 39.824 38.000 -0.235 0.000 1.232 454 I HN -0.411 nan 8.210 nan 0.000 0.435 455 S N 2.030 117.682 115.700 -0.081 0.000 3.581 455 S HA -0.197 4.274 4.470 0.002 0.000 0.354 455 S C 1.350 175.926 174.600 -0.040 0.000 1.059 455 S CA 0.810 59.000 58.200 -0.016 0.000 1.060 455 S CB -1.731 61.536 63.200 0.110 0.000 0.908 455 S HN 1.272 nan 8.310 nan 0.000 0.475 456 G N 2.468 111.217 108.800 -0.085 0.000 2.672 456 G HA2 -0.330 3.631 3.960 0.002 0.000 0.218 456 G HA3 -0.330 3.631 3.960 0.002 0.000 0.218 456 G C 1.484 176.274 174.900 -0.183 0.000 1.238 456 G CA 1.593 46.654 45.100 -0.065 0.000 0.791 456 G HN 1.312 nan 8.290 nan 0.000 0.606 457 S N 0.345 115.653 115.700 -0.653 0.000 2.547 457 S HA 0.139 4.611 4.470 0.002 0.000 0.235 457 S C 2.108 176.625 174.600 -0.139 0.000 0.980 457 S CA 0.726 58.372 58.200 -0.923 0.000 0.941 457 S CB -0.227 62.247 63.200 -1.211 0.000 0.763 457 S HN 0.323 nan 8.310 nan 0.000 0.532 458 L N 1.894 123.098 121.223 -0.033 0.000 2.554 458 L HA 0.133 4.474 4.340 0.002 0.000 0.226 458 L C 1.242 178.237 176.870 0.209 0.000 1.137 458 L CA 0.524 55.434 54.840 0.117 0.000 0.863 458 L CB -0.915 41.240 42.059 0.160 0.000 0.985 458 L HN 0.498 nan 8.230 nan 0.000 0.451 459 T N -4.393 110.270 114.554 0.182 0.000 2.925 459 T HA 0.312 4.663 4.350 0.002 0.000 0.285 459 T C -1.628 173.241 174.700 0.283 0.000 1.021 459 T CA -2.001 60.227 62.100 0.214 0.000 1.042 459 T CB 1.975 70.917 68.868 0.123 0.000 1.037 459 T HN -0.202 nan 8.240 nan 0.000 0.481 460 P HA -0.111 nan 4.420 nan 0.000 0.218 460 P C 1.811 179.316 177.300 0.343 0.000 1.149 460 P CA 1.254 64.548 63.100 0.324 0.000 0.817 460 P CB -0.343 31.494 31.700 0.229 0.000 0.785 461 V N -3.637 116.426 119.914 0.249 0.000 2.720 461 V HA -0.192 3.929 4.120 0.002 0.000 0.256 461 V C 2.402 178.595 176.094 0.165 0.000 1.082 461 V CA 1.244 63.663 62.300 0.200 0.000 1.101 461 V CB -2.281 29.588 31.823 0.076 0.000 0.693 461 V HN -0.105 nan 8.190 nan 0.000 0.479 462 F N 1.655 121.593 119.950 -0.021 0.000 2.171 462 F HA -0.147 4.381 4.527 0.002 0.000 0.300 462 F C 2.420 178.335 175.800 0.190 0.000 1.090 462 F CA 2.123 60.105 58.000 -0.030 0.000 1.293 462 F CB -0.220 38.639 39.000 -0.234 0.000 1.013 462 F HN 0.272 nan 8.300 nan 0.000 0.486 463 H N -0.911 118.496 119.070 0.562 0.000 2.539 463 H HA 0.107 4.664 4.556 0.002 0.000 0.267 463 H C 0.231 175.811 175.328 0.419 0.000 0.982 463 H CA 0.199 56.533 56.048 0.477 0.000 1.146 463 H CB -0.139 29.879 29.762 0.427 0.000 1.382 463 H HN 0.252 nan 8.280 nan 0.000 0.577 464 Q N 1.953 122.037 119.800 0.474 0.000 2.314 464 Q HA 0.163 4.504 4.340 0.002 0.000 0.259 464 Q C -0.485 175.755 176.000 0.400 0.000 0.951 464 Q CA -0.409 55.626 55.803 0.387 0.000 0.909 464 Q CB 0.854 29.788 28.738 0.327 0.000 1.236 464 Q HN 0.245 nan 8.270 nan 0.000 0.444 465 E N 3.201 123.582 120.200 0.302 0.000 2.392 465 E HA 0.325 4.677 4.350 0.002 0.000 0.259 465 E C -0.450 176.288 176.600 0.230 0.000 1.108 465 E CA 0.173 56.701 56.400 0.214 0.000 0.916 465 E CB 0.846 30.653 29.700 0.178 0.000 0.989 465 E HN 0.595 nan 8.360 nan 0.000 0.432 466 M N 0.979 120.705 119.600 0.210 0.000 2.531 466 M HA 0.353 4.834 4.480 0.002 0.000 0.286 466 M C -1.320 175.086 176.300 0.177 0.000 1.232 466 M CA -0.941 54.493 55.300 0.225 0.000 0.877 466 M CB 2.432 35.220 32.600 0.314 0.000 1.726 466 M HN 0.145 nan 8.290 nan 0.000 0.463 467 V N 1.779 121.809 119.914 0.193 0.000 2.459 467 V HA 0.513 4.634 4.120 0.002 0.000 0.295 467 V C -0.709 175.512 176.094 0.211 0.000 1.029 467 V CA -0.708 61.736 62.300 0.239 0.000 0.874 467 V CB 1.720 33.745 31.823 0.337 0.000 0.985 467 V HN 0.811 nan 8.190 nan 0.000 0.438 468 N N 3.687 122.502 118.700 0.192 0.000 2.342 468 N HA 0.665 5.406 4.740 0.002 0.000 0.293 468 N C -1.221 174.386 175.510 0.161 0.000 1.026 468 N CA -0.437 52.638 53.050 0.042 0.000 0.857 468 N CB 1.496 40.010 38.487 0.044 0.000 1.256 468 N HN 0.674 nan 8.380 nan 0.000 0.484 469 Y N 0.175 120.492 120.300 0.029 0.000 2.689 469 Y HA 0.570 5.122 4.550 0.002 0.000 0.333 469 Y C -0.979 174.923 175.900 0.003 0.000 1.208 469 Y CA -1.259 56.852 58.100 0.018 0.000 1.055 469 Y CB 0.876 39.352 38.460 0.027 0.000 1.304 469 Y HN 0.191 nan 8.280 nan 0.000 0.455 470 I N 3.343 124.014 120.570 0.168 0.000 2.304 470 I HA 0.396 4.567 4.170 0.002 0.000 0.291 470 I C -0.734 175.450 176.117 0.112 0.000 1.018 470 I CA -0.398 60.944 61.300 0.069 0.000 1.260 470 I CB 0.931 38.955 38.000 0.041 0.000 1.390 470 I HN 0.399 nan 8.210 nan 0.000 0.475 471 L N 4.932 126.188 121.223 0.055 0.000 2.333 471 L HA 0.567 4.908 4.340 0.002 0.000 0.269 471 L C -0.059 176.815 176.870 0.007 0.000 1.010 471 L CA -0.544 54.334 54.840 0.065 0.000 0.818 471 L CB 2.144 44.242 42.059 0.065 0.000 1.306 471 L HN 0.509 nan 8.230 nan 0.000 0.430 472 S N 1.456 117.169 115.700 0.022 0.000 2.513 472 S HA 0.629 5.100 4.470 0.002 0.000 0.299 472 S C -2.550 172.072 174.600 0.038 0.000 1.087 472 S CA -1.417 56.784 58.200 0.002 0.000 1.012 472 S CB 1.847 65.060 63.200 0.022 0.000 1.044 472 S HN 0.246 nan 8.310 nan 0.000 0.485 473 P HA 0.327 nan 4.420 nan 0.000 0.269 473 P C -1.332 175.860 177.300 -0.180 0.000 1.205 473 P CA 0.119 63.143 63.100 -0.126 0.000 0.780 473 P CB 0.384 31.976 31.700 -0.180 0.000 0.858 474 A N 1.322 123.987 122.820 -0.258 0.000 2.604 474 A HA 0.646 4.967 4.320 0.002 0.000 0.295 474 A C -1.613 175.763 177.584 -0.345 0.000 1.067 474 A CA -0.500 51.389 52.037 -0.247 0.000 0.683 474 A CB 0.733 19.658 19.000 -0.125 0.000 1.281 474 A HN 0.329 nan 8.150 nan 0.000 0.407 475 F N 1.326 121.194 119.950 -0.137 0.000 2.420 475 F HA 0.683 5.212 4.527 0.002 0.000 0.342 475 F C 1.064 176.751 175.800 -0.189 0.000 1.113 475 F CA 0.109 58.027 58.000 -0.137 0.000 1.059 475 F CB 1.712 40.598 39.000 -0.189 0.000 1.128 475 F HN 0.560 nan 8.300 nan 0.000 0.475 476 R N 1.611 122.124 120.500 0.022 0.000 2.888 476 R HA 0.453 4.794 4.340 0.002 0.000 0.264 476 R C -1.641 174.608 176.300 -0.084 0.000 1.045 476 R CA -1.271 54.759 56.100 -0.116 0.000 0.962 476 R CB 1.817 32.092 30.300 -0.043 0.000 1.210 476 R HN 0.412 nan 8.270 nan 0.000 0.479 477 Y N 1.171 121.493 120.300 0.037 0.000 2.307 477 Y HA 0.213 4.764 4.550 0.002 0.000 0.324 477 Y C 0.563 176.465 175.900 0.003 0.000 1.238 477 Y CA -0.309 57.804 58.100 0.023 0.000 1.280 477 Y CB 1.058 39.519 38.460 0.001 0.000 1.248 477 Y HN 0.420 nan 8.280 nan 0.000 0.508 478 Q N 1.369 121.268 119.800 0.164 0.000 2.456 478 Q HA 0.641 4.982 4.340 0.002 0.000 0.284 478 Q C -3.137 172.840 176.000 -0.038 0.000 1.061 478 Q CA -2.516 53.315 55.803 0.047 0.000 0.799 478 Q CB 2.106 30.866 28.738 0.037 0.000 1.445 478 Q HN 0.275 nan 8.270 nan 0.000 0.411 479 P HA 0.048 nan 4.420 nan 0.000 0.266 479 P C -0.964 176.136 177.300 -0.333 0.000 1.195 479 P CA 0.108 63.083 63.100 -0.208 0.000 0.768 479 P CB 0.369 31.955 31.700 -0.189 0.000 0.838 480 D N 3.830 123.894 120.400 -0.560 0.000 2.424 480 D HA 0.010 4.651 4.640 0.002 0.000 0.244 480 D C -1.091 174.638 176.300 -0.952 0.000 1.134 480 D CA -1.060 52.373 54.000 -0.945 0.000 0.881 480 D CB 0.290 40.035 40.800 -1.759 0.000 1.191 480 D HN 0.313 nan 8.370 nan 0.000 0.445 481 P HA -0.041 nan 4.420 nan 0.000 0.242 481 P C -0.255 176.720 177.300 -0.541 0.000 1.198 481 P CA 0.476 63.210 63.100 -0.609 0.000 0.756 481 P CB -0.123 31.225 31.700 -0.586 0.000 0.911 482 W N 0.000 120.952 121.300 -0.580 0.000 2.388 482 W HA 0.000 4.661 4.660 0.002 0.000 0.303 482 W CA 0.000 57.132 57.345 -0.355 0.000 1.226 482 W CB 0.000 29.216 29.460 -0.407 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535