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 3hbx_1_A DATA FIRST_RESID 12 DATA SEQUENCE VSVHSTFASR YVRTSLPRFK MPENSIPKEA AYQIINDELM LDGNPRLNLA DATA SEQUENCE SFVTTWMEPE CDKLIMSSIN KNYVDMDEYP VTTELQNRCV NMIAHLFNAP DATA SEQUENCE LEEAETAVGV GTVGSSEAIM LAGLAFKRKW QNKRKAEGKP VDKPNIVTGA DATA SEQUENCE NVQVCWEKFA RYFEVELKEV KLSEGYYVMD PQQAVDMVDE NTICVAAILG DATA SEQUENCE STLNGEFEDV KLLNDLLVEK NKETGWDTPI HVDAASGGFI APFLYPELEW DATA SEQUENCE DFRLPLVKSI NVSGHXYGLV YAGIGWVIWR NKEDLPEELI FHINYLGADQ DATA SEQUENCE PTFTLNFSKG SSQVIAQYYQ LIRLGHEGYR NVMENCRENM IVLREGLEKT DATA SEQUENCE ERFNIVSKDE GVPLVAFSLK DSSCHTEFEI SDMLRRYGWI VPAYTMPPNA DATA SEQUENCE QHITVLRVVI REDFSRTLAE RLVIDIEKVM RELDELP 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 12 V HA 0.000 nan 4.120 nan 0.000 0.244 12 V C 0.000 176.112 176.094 0.029 0.000 1.182 12 V CA 0.000 62.300 62.300 0.001 0.000 1.235 12 V CB 0.000 31.814 31.823 -0.015 0.000 1.184 13 S N 0.708 116.404 115.700 -0.006 0.000 2.843 13 S HA 0.242 4.712 4.470 -0.001 0.000 0.249 13 S C 0.794 175.380 174.600 -0.023 0.000 1.047 13 S CA 0.546 58.766 58.200 0.033 0.000 1.042 13 S CB 0.704 63.926 63.200 0.037 0.000 0.936 13 S HN 1.348 nan 8.310 nan 0.000 0.531 14 V N -1.334 118.493 119.914 -0.145 0.000 3.541 14 V HA 0.322 4.442 4.120 -0.001 0.000 0.267 14 V C 0.453 176.462 176.094 -0.142 0.000 1.213 14 V CA 0.121 62.328 62.300 -0.154 0.000 1.149 14 V CB -1.559 30.148 31.823 -0.192 0.000 0.822 14 V HN 0.558 nan 8.190 nan 0.000 0.462 15 H N 2.388 121.480 119.070 0.037 0.000 2.764 15 H HA 0.477 5.033 4.556 -0.001 0.000 0.341 15 H C 1.066 176.422 175.328 0.047 0.000 1.072 15 H CA 0.621 56.695 56.048 0.043 0.000 1.444 15 H CB 0.795 30.585 29.762 0.048 0.000 1.458 15 H HN 0.581 nan 8.280 nan 0.000 0.572 16 S N 1.259 117.064 115.700 0.175 0.000 2.584 16 S HA -0.065 4.404 4.470 -0.001 0.000 0.270 16 S C 1.769 176.430 174.600 0.103 0.000 1.346 16 S CA -0.206 58.068 58.200 0.123 0.000 1.018 16 S CB 1.108 64.390 63.200 0.136 0.000 0.899 16 S HN 0.887 nan 8.310 nan 0.000 0.542 17 T N -0.606 113.950 114.554 0.003 0.000 2.759 17 T HA -0.149 4.201 4.350 -0.001 0.000 0.269 17 T C 1.029 175.613 174.700 -0.192 0.000 1.042 17 T CA 1.232 63.250 62.100 -0.137 0.000 1.140 17 T CB -0.842 67.820 68.868 -0.343 0.000 0.864 17 T HN 0.573 nan 8.240 nan 0.000 0.455 18 F N 1.261 121.255 119.950 0.073 0.000 2.797 18 F HA 0.611 5.138 4.527 -0.000 0.000 0.302 18 F C 2.364 178.184 175.800 0.033 0.000 1.130 18 F CA -0.264 57.765 58.000 0.048 0.000 1.387 18 F CB -0.207 38.815 39.000 0.036 0.000 1.107 18 F HN 0.331 nan 8.300 nan 0.000 0.577 19 A N -0.874 122.045 122.820 0.166 0.000 2.303 19 A HA 0.195 4.514 4.320 -0.001 0.000 0.217 19 A C 1.358 178.922 177.584 -0.033 0.000 1.205 19 A CA 0.340 52.430 52.037 0.088 0.000 0.875 19 A CB -0.493 18.586 19.000 0.132 0.000 0.910 19 A HN 0.212 nan 8.150 nan 0.000 0.501 20 S N -0.211 115.485 115.700 -0.007 0.000 2.686 20 S HA 0.389 4.859 4.470 -0.001 0.000 0.270 20 S C 0.668 175.177 174.600 -0.152 0.000 1.194 20 S CA -0.191 57.951 58.200 -0.097 0.000 0.990 20 S CB 0.651 63.917 63.200 0.110 0.000 1.029 20 S HN 0.361 nan 8.310 nan 0.000 0.560 21 R N -0.827 119.473 120.500 -0.333 0.000 2.334 21 R HA 0.306 4.645 4.340 -0.001 0.000 0.220 21 R C 0.500 176.606 176.300 -0.322 0.000 0.917 21 R CA 0.406 56.311 56.100 -0.325 0.000 1.073 21 R CB -1.446 28.636 30.300 -0.365 0.000 1.056 21 R HN 0.683 nan 8.270 nan 0.000 0.506 22 Y N 0.219 120.492 120.300 -0.045 0.000 2.475 22 Y HA 0.033 4.583 4.550 -0.000 0.000 0.289 22 Y C 1.915 177.789 175.900 -0.042 0.000 1.121 22 Y CA 0.504 58.578 58.100 -0.043 0.000 1.257 22 Y CB 0.124 38.551 38.460 -0.055 0.000 1.026 22 Y HN 0.067 nan 8.280 nan 0.000 0.555 23 V N -2.247 117.715 119.914 0.081 0.000 3.623 23 V HA 0.132 4.252 4.120 -0.001 0.000 0.271 23 V C 1.561 177.690 176.094 0.059 0.000 1.248 23 V CA 0.620 62.961 62.300 0.068 0.000 1.156 23 V CB -0.270 31.615 31.823 0.104 0.000 0.870 23 V HN 0.218 nan 8.190 nan 0.000 0.453 24 R N 0.285 120.799 120.500 0.023 0.000 2.290 24 R HA 0.219 4.558 4.340 -0.001 0.000 0.197 24 R C 0.212 176.519 176.300 0.012 0.000 0.913 24 R CA 0.505 56.610 56.100 0.008 0.000 1.040 24 R CB 0.335 30.620 30.300 -0.025 0.000 0.992 24 R HN 0.535 nan 8.270 nan 0.000 0.500 25 T N 1.030 115.598 114.554 0.022 0.000 2.824 25 T HA 0.213 4.562 4.350 -0.001 0.000 0.280 25 T C 0.008 174.729 174.700 0.034 0.000 0.995 25 T CA -0.659 61.458 62.100 0.028 0.000 1.009 25 T CB 1.924 70.813 68.868 0.036 0.000 0.955 25 T HN 0.070 nan 8.240 nan 0.000 0.452 26 S N 2.843 118.560 115.700 0.028 0.000 2.592 26 S HA 0.473 4.942 4.470 -0.001 0.000 0.271 26 S C 0.261 174.870 174.600 0.016 0.000 1.326 26 S CA -1.019 57.193 58.200 0.021 0.000 1.024 26 S CB 0.076 63.287 63.200 0.018 0.000 0.921 26 S HN 0.558 nan 8.310 nan 0.000 0.527 27 L N 2.153 123.376 121.223 0.000 0.000 2.490 27 L HA 0.226 4.566 4.340 -0.001 0.000 0.274 27 L C -1.936 174.920 176.870 -0.023 0.000 1.201 27 L CA -1.469 53.364 54.840 -0.013 0.000 0.869 27 L CB -0.631 41.409 42.059 -0.031 0.000 1.123 27 L HN 0.492 nan 8.230 nan 0.000 0.484 28 P HA 0.071 nan 4.420 nan 0.000 0.264 28 P C -0.049 177.196 177.300 -0.091 0.000 1.183 28 P CA 0.124 63.214 63.100 -0.017 0.000 0.763 28 P CB 0.600 32.301 31.700 0.002 0.000 0.807 29 R N 1.126 121.526 120.500 -0.167 0.000 2.287 29 R HA 0.211 4.551 4.340 -0.001 0.000 0.197 29 R C 0.811 176.725 176.300 -0.644 0.000 0.900 29 R CA 0.680 56.488 56.100 -0.486 0.000 1.052 29 R CB 0.107 29.937 30.300 -0.783 0.000 1.117 29 R HN 0.424 nan 8.270 nan 0.000 0.568 30 F N 0.078 120.028 119.950 0.000 0.000 2.495 30 F HA 0.320 4.846 4.527 -0.001 0.000 0.272 30 F C 0.497 176.297 175.800 0.000 0.000 0.919 30 F CA -0.043 57.957 58.000 0.000 0.000 1.178 30 F CB 0.308 39.308 39.000 0.001 0.000 1.030 30 F HN -0.390 nan 8.300 nan 0.000 0.777 31 K N 1.297 121.816 120.400 0.197 0.000 2.138 31 K HA 0.409 4.729 4.320 -0.001 0.000 0.263 31 K C -0.539 176.097 176.600 0.061 0.000 0.965 31 K CA -0.717 55.634 56.287 0.107 0.000 0.868 31 K CB 2.155 34.710 32.500 0.092 0.000 1.083 31 K HN 0.025 nan 8.250 nan 0.000 0.443 32 M N 3.798 123.422 119.600 0.041 0.000 2.219 32 M HA 0.143 4.623 4.480 -0.001 0.000 0.353 32 M C -2.097 174.219 176.300 0.027 0.000 1.304 32 M CA -1.288 54.027 55.300 0.025 0.000 1.115 32 M CB 0.522 33.133 32.600 0.018 0.000 1.664 32 M HN 0.288 nan 8.290 nan 0.000 0.459 33 P HA 0.044 nan 4.420 nan 0.000 0.269 33 P C -0.092 177.222 177.300 0.023 0.000 1.209 33 P CA -0.144 62.972 63.100 0.026 0.000 0.776 33 P CB 0.529 32.244 31.700 0.024 0.000 0.876 34 E N 0.684 120.899 120.200 0.025 0.000 2.112 34 E HA -0.041 4.308 4.350 -0.001 0.000 0.190 34 E C 0.025 176.638 176.600 0.021 0.000 0.979 34 E CA 1.104 57.517 56.400 0.022 0.000 0.814 34 E CB -0.050 29.663 29.700 0.022 0.000 0.762 34 E HN 0.557 nan 8.360 nan 0.000 0.460 35 N N -0.260 118.456 118.700 0.028 0.000 2.404 35 N HA 0.210 4.949 4.740 -0.001 0.000 0.297 35 N C -0.916 174.609 175.510 0.024 0.000 1.163 35 N CA -0.377 52.691 53.050 0.030 0.000 0.864 35 N CB 1.805 40.319 38.487 0.044 0.000 1.247 35 N HN -0.202 nan 8.380 nan 0.000 0.510 36 S N 0.737 116.446 115.700 0.014 0.000 2.593 36 S HA 0.400 4.869 4.470 -0.001 0.000 0.269 36 S C 0.091 174.676 174.600 -0.025 0.000 1.334 36 S CA -0.534 57.660 58.200 -0.010 0.000 1.015 36 S CB 0.096 63.286 63.200 -0.017 0.000 0.912 36 S HN 0.467 nan 8.310 nan 0.000 0.541 37 I N -1.368 119.143 120.570 -0.097 0.000 2.785 37 I HA 0.648 4.818 4.170 -0.001 0.000 0.302 37 I C -2.946 172.997 176.117 -0.289 0.000 1.069 37 I CA -3.063 58.079 61.300 -0.264 0.000 1.045 37 I CB 1.310 39.096 38.000 -0.357 0.000 1.236 37 I HN 0.302 nan 8.210 nan 0.000 0.429 38 P HA 0.084 nan 4.420 nan 0.000 0.265 38 P C 0.158 177.343 177.300 -0.192 0.000 1.187 38 P CA -0.258 62.692 63.100 -0.250 0.000 0.766 38 P CB 0.590 32.131 31.700 -0.265 0.000 0.820 39 K N 3.248 123.579 120.400 -0.114 0.000 2.063 39 K HA -0.201 4.118 4.320 -0.001 0.000 0.208 39 K C 1.281 177.851 176.600 -0.050 0.000 1.048 39 K CA 1.376 57.619 56.287 -0.074 0.000 0.928 39 K CB -0.387 32.077 32.500 -0.060 0.000 0.713 39 K HN 0.443 nan 8.250 nan 0.000 0.442 40 E N 1.731 121.890 120.200 -0.068 0.000 2.118 40 E HA -0.193 4.156 4.350 -0.001 0.000 0.195 40 E C 2.178 178.760 176.600 -0.030 0.000 0.992 40 E CA 1.440 57.816 56.400 -0.039 0.000 0.804 40 E CB -0.406 29.262 29.700 -0.055 0.000 0.741 40 E HN 0.455 nan 8.360 nan 0.000 0.458 41 A N 2.102 124.848 122.820 -0.123 0.000 1.873 41 A HA 0.100 4.419 4.320 -0.001 0.000 0.215 41 A C 2.558 180.067 177.584 -0.125 0.000 1.186 41 A CA 2.077 54.011 52.037 -0.172 0.000 0.616 41 A CB -0.738 18.060 19.000 -0.337 0.000 0.823 41 A HN 0.359 nan 8.150 nan 0.000 0.442 42 A N -1.378 121.374 122.820 -0.112 0.000 1.902 42 A HA -0.133 4.187 4.320 -0.001 0.000 0.217 42 A C 2.147 179.717 177.584 -0.025 0.000 1.181 42 A CA 1.726 53.721 52.037 -0.070 0.000 0.623 42 A CB -0.875 18.088 19.000 -0.062 0.000 0.818 42 A HN 0.769 nan 8.150 nan 0.000 0.443 43 Y N 0.261 120.504 120.300 -0.095 0.000 2.128 43 Y HA -0.270 4.280 4.550 -0.001 0.000 0.284 43 Y C 2.573 178.435 175.900 -0.065 0.000 1.154 43 Y CA 2.544 60.601 58.100 -0.071 0.000 1.149 43 Y CB -0.415 38.006 38.460 -0.066 0.000 0.976 43 Y HN 0.390 nan 8.280 nan 0.000 0.505 44 Q N 0.640 120.414 119.800 -0.043 0.000 2.050 44 Q HA -0.147 4.193 4.340 -0.001 0.000 0.202 44 Q C 2.094 178.001 176.000 -0.155 0.000 0.980 44 Q CA 2.538 58.269 55.803 -0.121 0.000 0.840 44 Q CB -0.511 28.145 28.738 -0.137 0.000 0.898 44 Q HN 0.688 nan 8.270 nan 0.000 0.424 45 I N -0.313 120.180 120.570 -0.128 0.000 2.252 45 I HA -0.237 3.933 4.170 -0.001 0.000 0.245 45 I C 2.108 178.168 176.117 -0.094 0.000 1.102 45 I CA 0.975 62.227 61.300 -0.080 0.000 1.385 45 I CB -0.343 37.623 38.000 -0.057 0.000 1.064 45 I HN 0.214 nan 8.210 nan 0.000 0.414 46 I N 0.959 121.449 120.570 -0.133 0.000 2.252 46 I HA -0.288 3.882 4.170 -0.001 0.000 0.245 46 I C 2.357 178.366 176.117 -0.181 0.000 1.102 46 I CA 1.603 62.820 61.300 -0.138 0.000 1.385 46 I CB -0.488 37.433 38.000 -0.132 0.000 1.064 46 I HN 0.306 nan 8.210 nan 0.000 0.414 47 N N 1.034 119.551 118.700 -0.305 0.000 2.166 47 N HA -0.222 4.518 4.740 -0.001 0.000 0.186 47 N C 1.428 176.839 175.510 -0.165 0.000 1.019 47 N CA 1.677 54.531 53.050 -0.327 0.000 0.856 47 N CB 0.015 38.137 38.487 -0.609 0.000 0.993 47 N HN 0.183 nan 8.380 nan 0.000 0.426 48 D N 0.021 120.356 120.400 -0.109 0.000 2.097 48 D HA -0.142 4.498 4.640 -0.001 0.000 0.197 48 D C 1.594 177.875 176.300 -0.032 0.000 0.984 48 D CA 0.839 54.821 54.000 -0.030 0.000 0.826 48 D CB -0.369 40.456 40.800 0.043 0.000 0.973 48 D HN 0.481 nan 8.370 nan 0.000 0.460 49 E N -0.183 119.992 120.200 -0.043 0.000 2.150 49 E HA -0.133 4.217 4.350 -0.001 0.000 0.193 49 E C 1.657 178.230 176.600 -0.045 0.000 0.985 49 E CA 0.296 56.673 56.400 -0.037 0.000 0.814 49 E CB 0.072 29.747 29.700 -0.040 0.000 0.752 49 E HN 0.022 nan 8.360 nan 0.000 0.466 50 L N 0.582 121.768 121.223 -0.062 0.000 2.353 50 L HA -0.091 4.248 4.340 -0.001 0.000 0.220 50 L C 1.982 178.824 176.870 -0.047 0.000 1.133 50 L CA 1.349 56.153 54.840 -0.059 0.000 0.798 50 L CB -0.486 41.526 42.059 -0.079 0.000 0.922 50 L HN 0.326 nan 8.230 nan 0.000 0.445 51 M N -1.858 117.717 119.600 -0.042 0.000 2.460 51 M HA -0.150 4.330 4.480 -0.001 0.000 0.263 51 M C 1.649 177.933 176.300 -0.027 0.000 1.071 51 M CA 1.104 56.384 55.300 -0.032 0.000 1.096 51 M CB -0.149 32.435 32.600 -0.027 0.000 1.408 51 M HN 0.180 nan 8.290 nan 0.000 0.463 52 L N -0.654 120.554 121.223 -0.026 0.000 2.599 52 L HA 0.012 4.352 4.340 -0.001 0.000 0.230 52 L C 0.191 177.050 176.870 -0.018 0.000 1.141 52 L CA -0.183 54.645 54.840 -0.021 0.000 0.877 52 L CB -0.373 41.675 42.059 -0.018 0.000 1.009 52 L HN 0.092 nan 8.230 nan 0.000 0.447 53 D N 0.400 120.788 120.400 -0.021 0.000 2.357 53 D HA 0.210 4.850 4.640 -0.001 0.000 0.242 53 D C 0.541 176.834 176.300 -0.012 0.000 1.153 53 D CA 0.251 54.241 54.000 -0.016 0.000 0.918 53 D CB 1.128 41.915 40.800 -0.022 0.000 1.181 53 D HN 0.057 nan 8.370 nan 0.000 0.435 54 G N 0.572 109.370 108.800 -0.004 0.000 2.606 54 G HA2 0.046 4.006 3.960 -0.001 0.000 0.252 54 G HA3 0.046 4.006 3.960 -0.001 0.000 0.252 54 G C 0.270 175.169 174.900 -0.002 0.000 1.206 54 G CA -0.391 44.709 45.100 -0.000 0.000 0.861 54 G HN 0.379 nan 8.290 nan 0.000 0.561 55 N N 1.267 119.964 118.700 -0.006 0.000 2.401 55 N HA 0.206 4.946 4.740 -0.001 0.000 0.255 55 N C -1.363 174.162 175.510 0.024 0.000 1.110 55 N CA -2.081 50.968 53.050 -0.001 0.000 0.949 55 N CB 1.657 40.130 38.487 -0.024 0.000 1.110 55 N HN -0.028 nan 8.380 nan 0.000 0.490 56 P HA -0.151 nan 4.420 nan 0.000 0.216 56 P C 1.024 178.374 177.300 0.083 0.000 1.154 56 P CA 1.290 64.423 63.100 0.055 0.000 0.865 56 P CB 0.315 32.051 31.700 0.060 0.000 0.789 57 R N -0.823 119.733 120.500 0.093 0.000 2.193 57 R HA -0.001 4.338 4.340 -0.001 0.000 0.229 57 R C 1.915 178.302 176.300 0.145 0.000 1.110 57 R CA 0.953 57.126 56.100 0.122 0.000 0.988 57 R CB -1.063 29.299 30.300 0.104 0.000 0.871 57 R HN 0.356 nan 8.270 nan 0.000 0.458 58 L N 0.627 121.911 121.223 0.100 0.000 2.640 58 L HA 0.135 4.475 4.340 -0.001 0.000 0.230 58 L C 0.555 177.536 176.870 0.186 0.000 1.123 58 L CA -0.297 54.625 54.840 0.138 0.000 0.900 58 L CB -0.138 41.886 42.059 -0.057 0.000 1.146 58 L HN -0.049 nan 8.230 nan 0.000 0.484 59 N N 1.574 120.344 118.700 0.117 0.000 2.466 59 N HA 0.070 4.810 4.740 -0.001 0.000 0.263 59 N C 0.568 176.107 175.510 0.048 0.000 1.178 59 N CA 0.209 53.308 53.050 0.083 0.000 0.983 59 N CB 0.458 38.975 38.487 0.051 0.000 1.331 59 N HN 0.224 nan 8.380 nan 0.000 0.500 60 L N 1.717 122.968 121.223 0.047 0.000 2.612 60 L HA 0.175 4.515 4.340 -0.001 0.000 0.230 60 L C 1.727 178.520 176.870 -0.127 0.000 1.140 60 L CA 0.059 54.856 54.840 -0.072 0.000 0.896 60 L CB -0.170 41.835 42.059 -0.091 0.000 1.065 60 L HN 0.485 nan 8.230 nan 0.000 0.447 61 A N -0.807 121.973 122.820 -0.067 0.000 2.021 61 A HA 0.006 4.326 4.320 -0.001 0.000 0.216 61 A C 1.412 178.932 177.584 -0.107 0.000 1.163 61 A CA 0.404 52.401 52.037 -0.066 0.000 0.676 61 A CB 0.066 19.068 19.000 0.004 0.000 0.818 61 A HN 0.290 nan 8.150 nan 0.000 0.453 62 S N -1.912 113.731 115.700 -0.095 0.000 2.585 62 S HA 0.534 5.003 4.470 -0.001 0.000 0.277 62 S C 0.094 174.608 174.600 -0.144 0.000 1.241 62 S CA -0.566 57.616 58.200 -0.029 0.000 1.041 62 S CB 0.310 63.521 63.200 0.020 0.000 0.987 62 S HN 0.244 nan 8.310 nan 0.000 0.512 63 F N 2.317 122.270 119.950 0.005 0.000 2.749 63 F HA 0.299 4.826 4.527 -0.001 0.000 0.300 63 F C 0.661 176.422 175.800 -0.065 0.000 1.103 63 F CA -0.130 57.862 58.000 -0.013 0.000 1.342 63 F CB 0.231 39.280 39.000 0.081 0.000 1.098 63 F HN 0.235 nan 8.300 nan 0.000 0.586 64 V N 0.880 120.876 119.914 0.136 0.000 2.530 64 V HA 0.078 4.197 4.120 -0.001 0.000 0.282 64 V C 0.687 176.809 176.094 0.045 0.000 1.048 64 V CA -0.608 61.747 62.300 0.092 0.000 0.997 64 V CB 0.873 32.708 31.823 0.019 0.000 0.987 64 V HN 0.054 nan 8.190 nan 0.000 0.477 65 T N 4.048 118.631 114.554 0.048 0.000 2.934 65 T HA 0.103 4.453 4.350 -0.001 0.000 0.306 65 T C 1.057 175.835 174.700 0.130 0.000 1.042 65 T CA 0.750 62.874 62.100 0.039 0.000 1.145 65 T CB 0.458 69.319 68.868 -0.012 0.000 0.982 65 T HN 1.040 nan 8.240 nan 0.000 0.544 66 T N -0.584 114.074 114.554 0.173 0.000 3.091 66 T HA 0.306 4.656 4.350 -0.001 0.000 0.277 66 T C -0.452 174.497 174.700 0.414 0.000 0.996 66 T CA -0.757 61.505 62.100 0.269 0.000 0.897 66 T CB -0.070 68.911 68.868 0.188 0.000 1.109 66 T HN 0.681 nan 8.240 nan 0.000 0.534 67 W N 1.189 122.544 121.300 0.092 0.000 3.425 67 W HA 0.680 5.339 4.660 -0.000 0.000 0.318 67 W C -2.135 174.276 176.519 -0.180 0.000 1.201 67 W CA -0.927 56.456 57.345 0.063 0.000 1.212 67 W CB 1.453 30.938 29.460 0.042 0.000 1.355 67 W HN -0.036 nan 8.180 nan 0.000 0.515 68 M N 3.269 122.209 119.600 -1.100 0.000 2.658 68 M HA 0.318 4.798 4.480 -0.001 0.000 0.295 68 M C -0.306 174.956 176.300 -1.730 0.000 1.248 68 M CA -1.087 53.472 55.300 -1.235 0.000 0.843 68 M CB 2.428 34.456 32.600 -0.953 0.000 1.749 68 M HN 0.389 nan 8.290 nan 0.000 0.464 69 E N 1.517 121.057 120.200 -1.100 0.000 2.413 69 E HA 0.005 4.355 4.350 -0.001 0.000 0.263 69 E C -1.756 174.598 176.600 -0.411 0.000 1.015 69 E CA -1.305 54.731 56.400 -0.607 0.000 0.916 69 E CB 0.440 30.061 29.700 -0.131 0.000 0.947 69 E HN 0.277 nan 8.360 nan 0.000 0.440 70 P HA -0.195 nan 4.420 nan 0.000 0.216 70 P C 0.594 177.803 177.300 -0.152 0.000 1.150 70 P CA 1.249 64.261 63.100 -0.147 0.000 0.843 70 P CB 0.274 31.944 31.700 -0.049 0.000 0.787 71 E N -1.485 118.629 120.200 -0.142 0.000 2.160 71 E HA -0.168 4.182 4.350 -0.001 0.000 0.195 71 E C 2.052 178.442 176.600 -0.351 0.000 0.991 71 E CA 0.934 57.236 56.400 -0.164 0.000 0.810 71 E CB -1.284 28.383 29.700 -0.055 0.000 0.742 71 E HN 0.221 nan 8.360 nan 0.000 0.466 72 C N 0.628 119.623 119.300 -0.508 0.000 2.467 72 C HA -0.058 4.401 4.460 -0.001 0.000 0.279 72 C C 1.784 176.596 174.990 -0.296 0.000 1.347 72 C CA 0.408 59.046 59.018 -0.632 0.000 1.748 72 C CB -0.752 26.579 27.740 -0.682 0.000 1.977 72 C HN 0.372 nan 8.230 nan 0.000 0.501 73 D N 0.725 121.004 120.400 -0.203 0.000 2.149 73 D HA -0.124 4.516 4.640 -0.001 0.000 0.198 73 D C 2.267 178.506 176.300 -0.102 0.000 0.990 73 D CA 1.165 55.106 54.000 -0.098 0.000 0.839 73 D CB -0.272 40.472 40.800 -0.093 0.000 0.948 73 D HN 0.549 nan 8.370 nan 0.000 0.460 74 K N 0.071 120.399 120.400 -0.121 0.000 2.026 74 K HA -0.051 4.269 4.320 -0.001 0.000 0.208 74 K C 2.314 178.860 176.600 -0.089 0.000 1.048 74 K CA 0.550 56.782 56.287 -0.093 0.000 0.929 74 K CB -0.232 32.218 32.500 -0.083 0.000 0.713 74 K HN 0.141 nan 8.250 nan 0.000 0.439 75 L N 0.996 122.146 121.223 -0.121 0.000 2.013 75 L HA -0.249 4.090 4.340 -0.001 0.000 0.212 75 L C 2.411 179.243 176.870 -0.064 0.000 1.073 75 L CA 1.307 56.093 54.840 -0.090 0.000 0.753 75 L CB -0.507 41.478 42.059 -0.123 0.000 0.890 75 L HN 0.226 nan 8.230 nan 0.000 0.432 76 I N -0.684 119.847 120.570 -0.066 0.000 2.127 76 I HA -0.387 3.783 4.170 -0.001 0.000 0.241 76 I C 2.665 178.755 176.117 -0.045 0.000 1.075 76 I CA 1.754 63.032 61.300 -0.035 0.000 1.334 76 I CB -0.223 37.772 38.000 -0.009 0.000 1.040 76 I HN 0.343 nan 8.210 nan 0.000 0.405 77 M N 0.228 119.796 119.600 -0.055 0.000 2.213 77 M HA -0.181 4.299 4.480 -0.001 0.000 0.263 77 M C 2.203 178.473 176.300 -0.051 0.000 1.062 77 M CA 1.679 56.947 55.300 -0.054 0.000 1.105 77 M CB 0.006 32.573 32.600 -0.055 0.000 1.385 77 M HN 0.063 nan 8.290 nan 0.000 0.417 78 S N -0.009 115.660 115.700 -0.051 0.000 2.507 78 S HA -0.036 4.434 4.470 -0.001 0.000 0.235 78 S C 1.287 175.850 174.600 -0.062 0.000 0.988 78 S CA 1.141 59.312 58.200 -0.050 0.000 0.944 78 S CB -0.237 62.937 63.200 -0.043 0.000 0.762 78 S HN 0.733 nan 8.310 nan 0.000 0.526 79 S N 0.041 115.703 115.700 -0.064 0.000 3.031 79 S HA 0.173 4.642 4.470 -0.001 0.000 0.253 79 S C 0.982 175.536 174.600 -0.076 0.000 0.996 79 S CA -0.494 57.654 58.200 -0.087 0.000 1.098 79 S CB -0.627 62.523 63.200 -0.083 0.000 1.042 79 S HN 0.334 nan 8.310 nan 0.000 0.593 80 I N 1.173 121.708 120.570 -0.058 0.000 2.756 80 I HA 0.063 4.233 4.170 -0.001 0.000 0.262 80 I C 1.596 177.687 176.117 -0.044 0.000 1.225 80 I CA 0.804 62.077 61.300 -0.045 0.000 1.472 80 I CB -1.056 36.920 38.000 -0.040 0.000 1.094 80 I HN 0.442 nan 8.210 nan 0.000 0.454 81 N N 1.117 119.781 118.700 -0.059 0.000 2.236 81 N HA -0.004 4.736 4.740 -0.001 0.000 0.196 81 N C 0.198 175.660 175.510 -0.081 0.000 1.114 81 N CA 0.077 53.099 53.050 -0.048 0.000 0.859 81 N CB -0.208 38.258 38.487 -0.034 0.000 0.982 81 N HN 0.353 nan 8.380 nan 0.000 0.493 82 K N 1.534 121.835 120.400 -0.164 0.000 2.250 82 K HA 0.091 4.411 4.320 -0.001 0.000 0.285 82 K C -0.457 176.078 176.600 -0.108 0.000 1.097 82 K CA -0.517 55.567 56.287 -0.340 0.000 0.913 82 K CB 0.299 32.474 32.500 -0.542 0.000 1.179 82 K HN 0.066 nan 8.250 nan 0.000 0.462 83 N N 2.909 121.647 118.700 0.063 0.000 2.431 83 N HA -0.108 4.631 4.740 -0.001 0.000 0.265 83 N C 0.639 176.241 175.510 0.154 0.000 1.184 83 N CA 0.263 53.381 53.050 0.112 0.000 0.943 83 N CB 0.322 38.872 38.487 0.105 0.000 1.080 83 N HN 0.476 nan 8.380 nan 0.000 0.477 84 Y N 4.032 124.333 120.300 0.001 0.000 2.207 84 Y HA -0.171 4.379 4.550 0.000 0.000 0.287 84 Y C 1.920 177.801 175.900 -0.031 0.000 1.156 84 Y CA 1.585 59.687 58.100 0.003 0.000 1.182 84 Y CB -0.152 38.286 38.460 -0.036 0.000 0.979 84 Y HN 0.436 nan 8.280 nan 0.000 0.521 85 V N 0.853 120.672 119.914 -0.158 0.000 3.078 85 V HA -0.173 3.946 4.120 -0.001 0.000 0.265 85 V C 0.015 175.874 176.094 -0.392 0.000 1.122 85 V CA 1.573 63.641 62.300 -0.387 0.000 1.141 85 V CB -0.737 30.627 31.823 -0.765 0.000 0.735 85 V HN 0.311 nan 8.190 nan 0.000 0.498 86 D N 0.393 120.628 120.400 -0.275 0.000 2.608 86 D HA 0.067 4.707 4.640 -0.001 0.000 0.224 86 D C 1.142 177.236 176.300 -0.343 0.000 1.123 86 D CA 0.191 54.002 54.000 -0.314 0.000 1.030 86 D CB 0.583 41.159 40.800 -0.374 0.000 1.093 86 D HN 0.430 nan 8.370 nan 0.000 0.497 87 M N 0.478 119.896 119.600 -0.304 0.000 2.080 87 M HA -0.243 4.237 4.480 -0.001 0.000 0.260 87 M C 1.468 177.647 176.300 -0.201 0.000 1.068 87 M CA 1.749 56.901 55.300 -0.247 0.000 1.109 87 M CB 0.166 32.655 32.600 -0.186 0.000 1.342 87 M HN 0.022 nan 8.290 nan 0.000 0.405 88 D N -0.272 120.005 120.400 -0.206 0.000 2.117 88 D HA -0.194 4.446 4.640 -0.001 0.000 0.197 88 D C 1.623 177.787 176.300 -0.226 0.000 0.987 88 D CA 1.784 55.680 54.000 -0.174 0.000 0.829 88 D CB 0.057 40.765 40.800 -0.153 0.000 0.961 88 D HN 0.470 nan 8.370 nan 0.000 0.460 89 E N -1.142 118.822 120.200 -0.394 0.000 2.107 89 E HA -0.072 4.278 4.350 -0.001 0.000 0.191 89 E C -0.009 176.280 176.600 -0.518 0.000 0.982 89 E CA 0.824 56.880 56.400 -0.574 0.000 0.809 89 E CB -0.059 29.060 29.700 -0.968 0.000 0.756 89 E HN 0.457 nan 8.360 nan 0.000 0.459 90 Y N -0.865 119.376 120.300 -0.098 0.000 2.837 90 Y HA 0.319 4.869 4.550 0.001 0.000 0.356 90 Y C -2.032 173.811 175.900 -0.096 0.000 1.035 90 Y CA -3.239 54.809 58.100 -0.088 0.000 1.165 90 Y CB 0.782 39.185 38.460 -0.095 0.000 1.147 90 Y HN 0.012 nan 8.280 nan 0.000 0.628 91 P HA -0.163 nan 4.420 nan 0.000 0.216 91 P C 1.636 178.944 177.300 0.013 0.000 1.153 91 P CA 1.233 64.333 63.100 -0.000 0.000 0.848 91 P CB 0.502 32.200 31.700 -0.003 0.000 0.787 92 V N -0.600 119.332 119.914 0.029 0.000 2.358 92 V HA -0.210 3.909 4.120 -0.001 0.000 0.246 92 V C 2.339 178.437 176.094 0.008 0.000 1.047 92 V CA 2.412 64.718 62.300 0.009 0.000 1.035 92 V CB -1.975 29.854 31.823 0.010 0.000 0.658 92 V HN 0.164 nan 8.190 nan 0.000 0.452 93 T N -0.092 114.487 114.554 0.042 0.000 2.720 93 T HA -0.218 4.132 4.350 -0.001 0.000 0.268 93 T C 1.980 176.752 174.700 0.120 0.000 1.037 93 T CA 2.250 64.394 62.100 0.074 0.000 1.144 93 T CB -0.387 68.529 68.868 0.080 0.000 0.864 93 T HN 0.557 nan 8.240 nan 0.000 0.444 94 T N 1.824 116.399 114.554 0.036 0.000 2.777 94 T HA -0.060 4.290 4.350 -0.001 0.000 0.266 94 T C 1.946 176.705 174.700 0.098 0.000 1.040 94 T CA 1.021 63.148 62.100 0.045 0.000 1.141 94 T CB -0.201 68.629 68.868 -0.064 0.000 0.868 94 T HN 0.530 nan 8.240 nan 0.000 0.444 95 E N 0.865 121.086 120.200 0.036 0.000 2.077 95 E HA -0.058 4.292 4.350 -0.001 0.000 0.193 95 E C 2.252 178.833 176.600 -0.031 0.000 0.989 95 E CA 0.840 57.245 56.400 0.009 0.000 0.800 95 E CB -0.294 29.392 29.700 -0.022 0.000 0.746 95 E HN 0.428 nan 8.360 nan 0.000 0.452 96 L N 1.063 122.227 121.223 -0.099 0.000 2.079 96 L HA -0.230 4.110 4.340 -0.001 0.000 0.210 96 L C 2.823 179.704 176.870 0.018 0.000 1.081 96 L CA 1.084 55.767 54.840 -0.262 0.000 0.752 96 L CB -0.549 41.336 42.059 -0.289 0.000 0.896 96 L HN 0.230 nan 8.230 nan 0.000 0.433 97 Q N 0.547 120.462 119.800 0.191 0.000 2.084 97 Q HA -0.191 4.148 4.340 -0.001 0.000 0.202 97 Q C 1.913 178.089 176.000 0.293 0.000 0.978 97 Q CA 1.510 57.526 55.803 0.355 0.000 0.844 97 Q CB -0.021 28.971 28.738 0.425 0.000 0.898 97 Q HN 0.561 nan 8.270 nan 0.000 0.426 98 N N 0.715 119.532 118.700 0.196 0.000 2.120 98 N HA -0.143 4.596 4.740 -0.001 0.000 0.188 98 N C 1.841 177.411 175.510 0.101 0.000 1.024 98 N CA 1.146 54.286 53.050 0.150 0.000 0.852 98 N CB -0.361 38.193 38.487 0.112 0.000 1.003 98 N HN 0.265 nan 8.380 nan 0.000 0.424 99 R N 0.186 120.731 120.500 0.074 0.000 2.081 99 R HA 0.021 4.361 4.340 -0.001 0.000 0.235 99 R C 2.373 178.721 176.300 0.079 0.000 1.131 99 R CA 1.094 57.251 56.100 0.095 0.000 0.960 99 R CB -0.538 29.836 30.300 0.124 0.000 0.856 99 R HN 0.247 nan 8.270 nan 0.000 0.436 100 C N 0.076 119.401 119.300 0.041 0.000 2.429 100 C HA -0.068 4.392 4.460 -0.001 0.000 0.277 100 C C 2.727 177.464 174.990 -0.422 0.000 1.262 100 C CA 0.462 59.342 59.018 -0.231 0.000 1.733 100 C CB -0.630 26.855 27.740 -0.425 0.000 2.010 100 C HN 0.297 nan 8.230 nan 0.000 0.483 101 V N 1.974 121.756 119.914 -0.220 0.000 2.287 101 V HA -0.225 3.895 4.120 -0.001 0.000 0.248 101 V C 2.205 178.259 176.094 -0.067 0.000 1.053 101 V CA 2.194 64.439 62.300 -0.092 0.000 1.027 101 V CB -0.719 31.185 31.823 0.136 0.000 0.646 101 V HN 0.528 nan 8.190 nan 0.000 0.447 102 N N -0.006 118.694 118.700 0.001 0.000 2.069 102 N HA -0.154 4.585 4.740 -0.001 0.000 0.191 102 N C 1.809 177.370 175.510 0.085 0.000 1.031 102 N CA 1.776 54.867 53.050 0.067 0.000 0.852 102 N CB -0.415 38.141 38.487 0.116 0.000 1.018 102 N HN 0.421 nan 8.380 nan 0.000 0.423 103 M N 0.099 119.692 119.600 -0.011 0.000 2.175 103 M HA -0.033 4.447 4.480 -0.001 0.000 0.264 103 M C 1.951 178.139 176.300 -0.186 0.000 1.063 103 M CA 1.157 56.423 55.300 -0.056 0.000 1.119 103 M CB -0.264 32.283 32.600 -0.088 0.000 1.377 103 M HN 0.068 nan 8.290 nan 0.000 0.415 104 I N 0.042 120.408 120.570 -0.340 0.000 2.315 104 I HA -0.202 3.968 4.170 -0.001 0.000 0.248 104 I C 2.732 178.491 176.117 -0.596 0.000 1.117 104 I CA 0.914 61.846 61.300 -0.615 0.000 1.404 104 I CB -0.554 37.028 38.000 -0.697 0.000 1.071 104 I HN 0.227 nan 8.210 nan 0.000 0.419 105 A N 0.501 123.164 122.820 -0.261 0.000 1.883 105 A HA -0.278 4.041 4.320 -0.001 0.000 0.217 105 A C 2.077 179.591 177.584 -0.117 0.000 1.186 105 A CA 1.938 53.908 52.037 -0.112 0.000 0.624 105 A CB -1.107 17.830 19.000 -0.105 0.000 0.822 105 A HN 0.420 nan 8.150 nan 0.000 0.444 106 H N -1.418 117.592 119.070 -0.099 0.000 2.387 106 H HA -0.069 4.486 4.556 -0.001 0.000 0.299 106 H C 1.868 177.146 175.328 -0.084 0.000 1.090 106 H CA 1.481 57.493 56.048 -0.061 0.000 1.332 106 H CB -0.112 29.622 29.762 -0.047 0.000 1.386 106 H HN 0.387 nan 8.280 nan 0.000 0.516 107 L N -0.282 120.881 121.223 -0.100 0.000 2.127 107 L HA -0.153 4.187 4.340 -0.001 0.000 0.211 107 L C 0.723 177.538 176.870 -0.092 0.000 1.089 107 L CA 1.499 56.218 54.840 -0.202 0.000 0.757 107 L CB -0.325 41.439 42.059 -0.491 0.000 0.899 107 L HN 0.175 nan 8.230 nan 0.000 0.434 108 F N 0.287 120.159 119.950 -0.130 0.000 2.660 108 F HA 0.257 4.784 4.527 -0.001 0.000 0.302 108 F C 1.050 176.754 175.800 -0.161 0.000 1.103 108 F CA -0.849 56.987 58.000 -0.274 0.000 1.340 108 F CB -1.171 37.635 39.000 -0.324 0.000 1.048 108 F HN 0.152 nan 8.300 nan 0.000 0.551 109 N N 0.080 118.832 118.700 0.088 0.000 2.754 109 N HA -0.185 4.555 4.740 -0.001 0.000 0.248 109 N C 0.345 175.920 175.510 0.108 0.000 1.093 109 N CA 0.712 53.794 53.050 0.054 0.000 0.699 109 N CB -1.155 37.315 38.487 -0.028 0.000 1.016 109 N HN 0.289 nan 8.380 nan 0.000 0.552 110 A N 0.544 123.435 122.820 0.118 0.000 2.483 110 A HA 0.332 4.652 4.320 -0.001 0.000 0.238 110 A C -1.690 175.777 177.584 -0.195 0.000 1.070 110 A CA -0.537 51.413 52.037 -0.145 0.000 0.770 110 A CB 0.057 18.867 19.000 -0.317 0.000 1.008 110 A HN -0.013 nan 8.150 nan 0.000 0.497 111 P HA 0.310 nan 4.420 nan 0.000 0.264 111 P C -1.102 176.107 177.300 -0.151 0.000 1.537 111 P CA 0.605 63.618 63.100 -0.145 0.000 1.189 111 P CB -0.156 31.465 31.700 -0.132 0.000 1.687 112 L N 2.094 123.230 121.223 -0.145 0.000 2.386 112 L HA 0.357 4.696 4.340 -0.001 0.000 0.271 112 L C 1.014 177.876 176.870 -0.013 0.000 0.993 112 L CA -0.823 53.940 54.840 -0.128 0.000 0.819 112 L CB 2.370 44.239 42.059 -0.317 0.000 1.294 112 L HN 0.189 nan 8.230 nan 0.000 0.414 113 E N 1.703 121.907 120.200 0.007 0.000 4.068 113 E HA 0.250 4.600 4.350 -0.001 0.000 0.355 113 E C -0.673 175.977 176.600 0.082 0.000 1.511 113 E CA -0.494 55.928 56.400 0.035 0.000 1.957 113 E CB 0.535 30.246 29.700 0.018 0.000 1.345 113 E HN 0.358 nan 8.360 nan 0.000 0.796 114 E N -0.594 119.641 120.200 0.059 0.000 2.278 114 E HA 0.385 4.734 4.350 -0.001 0.000 0.272 114 E C -1.630 174.991 176.600 0.036 0.000 0.890 114 E CA -0.525 55.911 56.400 0.059 0.000 0.770 114 E CB 2.025 31.750 29.700 0.042 0.000 1.212 114 E HN 0.448 nan 8.360 nan 0.000 0.415 115 A N 3.562 126.404 122.820 0.037 0.000 2.838 115 A HA 0.252 4.572 4.320 -0.001 0.000 0.337 115 A C 0.260 177.881 177.584 0.062 0.000 1.383 115 A CA -0.450 51.619 52.037 0.054 0.000 0.985 115 A CB 0.077 19.099 19.000 0.037 0.000 1.157 115 A HN 0.509 nan 8.150 nan 0.000 0.497 116 E N 1.368 121.610 120.200 0.071 0.000 2.366 116 E HA 0.253 4.603 4.350 -0.001 0.000 0.266 116 E C -0.480 176.154 176.600 0.056 0.000 1.051 116 E CA -0.153 56.275 56.400 0.047 0.000 0.884 116 E CB 0.669 30.381 29.700 0.021 0.000 1.006 116 E HN 0.452 nan 8.360 nan 0.000 0.417 117 T N 2.586 117.164 114.554 0.040 0.000 2.794 117 T HA 0.360 4.710 4.350 -0.001 0.000 0.296 117 T C -0.100 174.618 174.700 0.029 0.000 0.949 117 T CA -0.419 61.709 62.100 0.047 0.000 1.101 117 T CB 1.124 70.022 68.868 0.048 0.000 0.905 117 T HN 0.549 nan 8.240 nan 0.000 0.516 118 A N 3.319 126.158 122.820 0.032 0.000 2.346 118 A HA 0.534 4.853 4.320 -0.001 0.000 0.252 118 A C 0.062 177.687 177.584 0.069 0.000 1.089 118 A CA -0.540 51.503 52.037 0.010 0.000 0.797 118 A CB 0.355 19.350 19.000 -0.009 0.000 1.047 118 A HN 0.664 nan 8.150 nan 0.000 0.494 119 V N 1.432 121.401 119.914 0.091 0.000 2.333 119 V HA 0.678 4.798 4.120 -0.001 0.000 0.274 119 V C 0.674 176.997 176.094 0.382 0.000 1.028 119 V CA 0.754 63.169 62.300 0.191 0.000 0.851 119 V CB 0.208 32.119 31.823 0.146 0.000 1.000 119 V HN 1.472 nan 8.190 nan 0.000 0.456 120 G N 3.396 112.458 108.800 0.437 0.000 2.356 120 G HA2 0.626 4.586 3.960 -0.001 0.000 0.294 120 G HA3 0.626 4.586 3.960 -0.001 0.000 0.294 120 G C -1.491 173.699 174.900 0.483 0.000 1.423 120 G CA 0.103 45.524 45.100 0.534 0.000 0.806 120 G HN 1.215 nan 8.290 nan 0.000 0.527 121 V N -2.164 118.034 119.914 0.473 0.000 3.049 121 V HA 0.981 5.100 4.120 -0.001 0.000 0.309 121 V C 0.434 176.699 176.094 0.286 0.000 1.148 121 V CA -0.253 62.275 62.300 0.380 0.000 0.990 121 V CB 1.569 33.598 31.823 0.344 0.000 1.039 121 V HN 1.892 nan 8.190 nan 0.000 0.430 122 G N 1.547 110.401 108.800 0.090 0.000 2.415 122 G HA2 0.630 4.590 3.960 -0.001 0.000 0.269 122 G HA3 0.630 4.590 3.960 -0.001 0.000 0.269 122 G C -0.012 174.620 174.900 -0.446 0.000 1.209 122 G CA 0.369 45.125 45.100 -0.573 0.000 0.835 122 G HN 1.521 nan 8.290 nan 0.000 0.534 123 T N -1.608 112.623 114.554 -0.537 0.000 2.831 123 T HA 0.387 4.737 4.350 -0.001 0.000 0.287 123 T C 1.116 175.623 174.700 -0.322 0.000 1.070 123 T CA -0.471 61.434 62.100 -0.326 0.000 1.010 123 T CB 1.393 70.132 68.868 -0.215 0.000 1.264 123 T HN 0.152 nan 8.240 nan 0.000 0.532 124 V N 0.372 120.177 119.914 -0.182 0.000 2.515 124 V HA 0.348 4.467 4.120 -0.001 0.000 0.250 124 V C 1.478 177.555 176.094 -0.028 0.000 1.058 124 V CA 2.087 64.328 62.300 -0.099 0.000 1.064 124 V CB -0.751 31.048 31.823 -0.040 0.000 0.675 124 V HN 1.263 nan 8.190 nan 0.000 0.461 125 G N -2.563 106.201 108.800 -0.059 0.000 2.489 125 G HA2 0.319 4.279 3.960 -0.001 0.000 0.305 125 G HA3 0.319 4.279 3.960 -0.001 0.000 0.305 125 G C 0.234 175.087 174.900 -0.078 0.000 1.311 125 G CA 0.452 45.539 45.100 -0.021 0.000 0.813 125 G HN -0.191 nan 8.290 nan 0.000 0.480 126 S N -0.505 115.166 115.700 -0.048 0.000 2.423 126 S HA -0.092 4.377 4.470 -0.001 0.000 0.231 126 S C 2.570 177.109 174.600 -0.101 0.000 1.014 126 S CA 1.811 59.979 58.200 -0.054 0.000 0.965 126 S CB -0.216 62.977 63.200 -0.012 0.000 0.785 126 S HN 0.694 nan 8.310 nan 0.000 0.495 127 S N 1.411 117.070 115.700 -0.068 0.000 2.359 127 S HA -0.218 4.252 4.470 -0.001 0.000 0.223 127 S C 1.950 176.481 174.600 -0.115 0.000 1.039 127 S CA 1.820 59.963 58.200 -0.095 0.000 1.042 127 S CB -0.409 62.778 63.200 -0.022 0.000 0.915 127 S HN 0.685 nan 8.310 nan 0.000 0.439 128 E N 0.111 120.264 120.200 -0.078 0.000 2.150 128 E HA -0.066 4.284 4.350 -0.001 0.000 0.193 128 E C 2.080 178.595 176.600 -0.142 0.000 0.985 128 E CA 0.898 57.248 56.400 -0.083 0.000 0.814 128 E CB -0.394 29.263 29.700 -0.072 0.000 0.752 128 E HN 0.595 nan 8.360 nan 0.000 0.466 129 A N 1.162 123.893 122.820 -0.148 0.000 1.902 129 A HA -0.145 4.175 4.320 -0.001 0.000 0.217 129 A C 2.143 179.589 177.584 -0.231 0.000 1.181 129 A CA 1.179 53.124 52.037 -0.153 0.000 0.623 129 A CB -0.546 18.395 19.000 -0.099 0.000 0.818 129 A HN 0.337 nan 8.150 nan 0.000 0.443 130 I N -0.868 119.503 120.570 -0.333 0.000 2.252 130 I HA -0.280 3.890 4.170 -0.001 0.000 0.245 130 I C 2.633 178.318 176.117 -0.720 0.000 1.102 130 I CA 1.463 62.371 61.300 -0.653 0.000 1.385 130 I CB -0.241 37.165 38.000 -0.990 0.000 1.064 130 I HN 0.344 nan 8.210 nan 0.000 0.414 131 M N -0.201 119.128 119.600 -0.451 0.000 2.319 131 M HA -0.133 4.346 4.480 -0.001 0.000 0.265 131 M C 2.203 178.329 176.300 -0.290 0.000 1.068 131 M CA 1.478 56.582 55.300 -0.326 0.000 1.118 131 M CB -0.131 32.486 32.600 0.029 0.000 1.395 131 M HN 0.233 nan 8.290 nan 0.000 0.435 132 L N -0.410 120.688 121.223 -0.208 0.000 2.072 132 L HA -0.090 4.249 4.340 -0.001 0.000 0.205 132 L C 2.860 179.851 176.870 0.202 0.000 1.079 132 L CA 0.990 55.786 54.840 -0.073 0.000 0.752 132 L CB -0.883 41.059 42.059 -0.194 0.000 0.906 132 L HN 0.265 nan 8.230 nan 0.000 0.436 133 A N 0.533 123.348 122.820 -0.008 0.000 1.902 133 A HA -0.138 4.182 4.320 -0.001 0.000 0.217 133 A C 2.399 179.924 177.584 -0.099 0.000 1.181 133 A CA 1.821 53.825 52.037 -0.056 0.000 0.623 133 A CB -1.282 17.488 19.000 -0.384 0.000 0.818 133 A HN 0.437 nan 8.150 nan 0.000 0.443 134 G N -0.324 108.260 108.800 -0.359 0.000 2.421 134 G HA2 -0.175 3.785 3.960 -0.001 0.000 0.216 134 G HA3 -0.175 3.785 3.960 -0.001 0.000 0.216 134 G C 1.585 176.525 174.900 0.068 0.000 1.171 134 G CA 0.994 45.799 45.100 -0.492 0.000 0.775 134 G HN 0.416 nan 8.290 nan 0.000 0.543 135 L N 0.637 121.897 121.223 0.062 0.000 2.042 135 L HA -0.135 4.204 4.340 -0.001 0.000 0.210 135 L C 3.433 180.428 176.870 0.208 0.000 1.076 135 L CA 1.210 56.154 54.840 0.173 0.000 0.749 135 L CB -0.330 41.824 42.059 0.158 0.000 0.893 135 L HN 0.329 nan 8.230 nan 0.000 0.432 136 A N -0.452 122.479 122.820 0.185 0.000 1.902 136 A HA -0.229 4.090 4.320 -0.001 0.000 0.217 136 A C 1.990 179.618 177.584 0.074 0.000 1.181 136 A CA 1.578 53.639 52.037 0.039 0.000 0.623 136 A CB -0.775 18.226 19.000 0.001 0.000 0.818 136 A HN 0.299 nan 8.150 nan 0.000 0.443 137 F N 0.122 120.198 119.950 0.210 0.000 2.102 137 F HA -0.108 4.419 4.527 -0.000 0.000 0.298 137 F C 2.290 178.229 175.800 0.232 0.000 1.105 137 F CA 1.715 59.834 58.000 0.199 0.000 1.239 137 F CB -0.520 38.567 39.000 0.146 0.000 0.991 137 F HN 0.208 nan 8.300 nan 0.000 0.474 138 K N -0.029 120.632 120.400 0.435 0.000 2.009 138 K HA -0.251 4.069 4.320 -0.001 0.000 0.210 138 K C 2.413 179.259 176.600 0.410 0.000 1.049 138 K CA 1.518 58.042 56.287 0.396 0.000 0.929 138 K CB -0.093 32.620 32.500 0.354 0.000 0.714 138 K HN -0.081 nan 8.250 nan 0.000 0.440 139 R N 1.543 122.214 120.500 0.285 0.000 2.073 139 R HA -0.090 4.249 4.340 -0.001 0.000 0.234 139 R C 2.066 178.472 176.300 0.176 0.000 1.134 139 R CA 1.870 58.087 56.100 0.196 0.000 0.952 139 R CB -0.385 29.979 30.300 0.108 0.000 0.850 139 R HN 0.169 nan 8.270 nan 0.000 0.433 140 K N -1.324 119.187 120.400 0.185 0.000 2.103 140 K HA -0.199 4.121 4.320 -0.001 0.000 0.207 140 K C 1.925 178.660 176.600 0.225 0.000 1.048 140 K CA 1.660 58.045 56.287 0.163 0.000 0.930 140 K CB -0.357 32.247 32.500 0.174 0.000 0.716 140 K HN 0.322 nan 8.250 nan 0.000 0.444 141 W N 1.686 123.058 121.300 0.121 0.000 2.409 141 W HA -0.118 4.541 4.660 -0.001 0.000 0.299 141 W C 1.881 178.439 176.519 0.066 0.000 1.203 141 W CA 1.266 58.671 57.345 0.100 0.000 1.298 141 W CB -0.074 29.453 29.460 0.112 0.000 1.127 141 W HN 0.095 nan 8.180 nan 0.000 0.528 142 Q N 0.249 120.127 119.800 0.130 0.000 2.061 142 Q HA -0.258 4.082 4.340 -0.001 0.000 0.204 142 Q C 1.989 177.890 176.000 -0.165 0.000 0.984 142 Q CA 1.903 57.636 55.803 -0.116 0.000 0.846 142 Q CB -0.599 28.204 28.738 0.107 0.000 0.902 142 Q HN 0.291 nan 8.270 nan 0.000 0.421 143 N N 0.791 119.458 118.700 -0.055 0.000 2.069 143 N HA -0.180 4.559 4.740 -0.001 0.000 0.191 143 N C 1.504 176.957 175.510 -0.095 0.000 1.031 143 N CA 1.192 54.207 53.050 -0.058 0.000 0.852 143 N CB -0.257 38.218 38.487 -0.020 0.000 1.018 143 N HN 0.192 nan 8.380 nan 0.000 0.423 144 K N 0.811 121.150 120.400 -0.102 0.000 2.057 144 K HA -0.057 4.263 4.320 -0.001 0.000 0.207 144 K C 1.897 178.392 176.600 -0.175 0.000 1.049 144 K CA 0.960 57.187 56.287 -0.101 0.000 0.931 144 K CB 0.186 32.653 32.500 -0.054 0.000 0.714 144 K HN 0.063 nan 8.250 nan 0.000 0.440 145 R N 0.732 121.028 120.500 -0.340 0.000 2.062 145 R HA -0.058 4.282 4.340 -0.001 0.000 0.229 145 R C 2.204 178.365 176.300 -0.232 0.000 1.128 145 R CA 1.220 57.096 56.100 -0.374 0.000 0.960 145 R CB -0.334 29.535 30.300 -0.717 0.000 0.855 145 R HN 0.220 nan 8.270 nan 0.000 0.432 146 K N 0.645 120.921 120.400 -0.207 0.000 2.152 146 K HA -0.074 4.246 4.320 -0.001 0.000 0.206 146 K C 2.006 178.554 176.600 -0.086 0.000 1.048 146 K CA 1.402 57.614 56.287 -0.125 0.000 0.933 146 K CB -0.108 32.335 32.500 -0.096 0.000 0.721 146 K HN 0.134 nan 8.250 nan 0.000 0.447 147 A N 1.182 123.952 122.820 -0.084 0.000 2.066 147 A HA -0.126 4.193 4.320 -0.001 0.000 0.218 147 A C 1.379 178.935 177.584 -0.046 0.000 1.157 147 A CA 1.125 53.130 52.037 -0.055 0.000 0.670 147 A CB -0.087 18.886 19.000 -0.046 0.000 0.804 147 A HN 0.281 nan 8.150 nan 0.000 0.453 148 E N -1.403 118.761 120.200 -0.060 0.000 2.474 148 E HA 0.300 4.650 4.350 -0.001 0.000 0.195 148 E C 1.023 177.599 176.600 -0.040 0.000 1.039 148 E CA 0.189 56.565 56.400 -0.040 0.000 0.881 148 E CB 0.096 29.775 29.700 -0.036 0.000 0.970 148 E HN 0.637 nan 8.360 nan 0.000 0.486 149 G N 2.239 111.008 108.800 -0.052 0.000 2.155 149 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.257 149 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.257 149 G C 0.140 175.011 174.900 -0.048 0.000 0.983 149 G CA 0.525 45.599 45.100 -0.043 0.000 0.676 149 G HN 0.183 nan 8.290 nan 0.000 0.528 150 K N 0.602 120.958 120.400 -0.074 0.000 2.098 150 K HA 0.498 4.818 4.320 -0.001 0.000 0.257 150 K C -2.298 174.239 176.600 -0.106 0.000 0.999 150 K CA -1.775 54.465 56.287 -0.078 0.000 0.924 150 K CB 0.782 33.228 32.500 -0.090 0.000 1.028 150 K HN 0.035 nan 8.250 nan 0.000 0.466 151 P HA 0.015 nan 4.420 nan 0.000 0.274 151 P C -0.329 176.925 177.300 -0.075 0.000 1.231 151 P CA -0.418 62.656 63.100 -0.043 0.000 0.790 151 P CB 0.642 32.348 31.700 0.010 0.000 0.951 152 V N -1.924 117.978 119.914 -0.021 0.000 2.925 152 V HA 0.233 4.353 4.120 -0.001 0.000 0.361 152 V C 0.388 176.645 176.094 0.272 0.000 1.361 152 V CA -0.118 62.202 62.300 0.034 0.000 1.184 152 V CB 0.017 31.758 31.823 -0.136 0.000 1.245 152 V HN 0.492 nan 8.190 nan 0.000 0.575 153 D N 0.556 121.082 120.400 0.210 0.000 2.360 153 D HA 0.069 4.708 4.640 -0.001 0.000 0.210 153 D C 0.600 176.986 176.300 0.144 0.000 1.047 153 D CA -0.009 54.085 54.000 0.156 0.000 0.854 153 D CB 0.472 41.327 40.800 0.091 0.000 0.936 153 D HN 0.579 nan 8.370 nan 0.000 0.514 154 K N 1.220 121.730 120.400 0.182 0.000 3.084 154 K HA 0.321 4.641 4.320 -0.001 0.000 0.172 154 K C -2.781 173.801 176.600 -0.030 0.000 1.078 154 K CA -1.422 54.909 56.287 0.074 0.000 0.875 154 K CB 1.854 34.386 32.500 0.053 0.000 1.064 154 K HN 0.031 nan 8.250 nan 0.000 0.597 155 P HA 0.069 nan 4.420 nan 0.000 0.274 155 P C -0.969 176.134 177.300 -0.327 0.000 1.231 155 P CA -0.371 62.395 63.100 -0.558 0.000 0.790 155 P CB 0.623 32.011 31.700 -0.520 0.000 0.951 156 N N 0.495 118.967 118.700 -0.380 0.000 2.610 156 N HA 0.620 5.359 4.740 -0.001 0.000 0.264 156 N C -1.616 173.781 175.510 -0.189 0.000 1.348 156 N CA -0.818 52.109 53.050 -0.206 0.000 0.819 156 N CB 1.083 39.474 38.487 -0.159 0.000 1.521 156 N HN 0.159 nan 8.380 nan 0.000 0.497 157 I N 0.480 120.991 120.570 -0.100 0.000 2.608 157 I HA 0.457 4.627 4.170 -0.001 0.000 0.295 157 I C -0.975 175.061 176.117 -0.135 0.000 1.049 157 I CA -1.319 59.912 61.300 -0.115 0.000 1.063 157 I CB 2.328 40.318 38.000 -0.017 0.000 1.248 157 I HN 0.319 nan 8.210 nan 0.000 0.424 158 V N 4.566 124.373 119.914 -0.179 0.000 2.384 158 V HA 0.574 4.694 4.120 -0.001 0.000 0.287 158 V C 0.078 176.046 176.094 -0.209 0.000 1.020 158 V CA -0.221 61.986 62.300 -0.156 0.000 0.850 158 V CB 1.446 33.197 31.823 -0.119 0.000 0.987 158 V HN 0.947 nan 8.190 nan 0.000 0.436 159 T N 1.569 116.010 114.554 -0.188 0.000 2.778 159 T HA 0.762 5.112 4.350 -0.001 0.000 0.293 159 T C 0.129 174.755 174.700 -0.123 0.000 1.144 159 T CA -0.320 61.649 62.100 -0.219 0.000 1.010 159 T CB 1.605 70.267 68.868 -0.343 0.000 1.325 159 T HN 0.796 nan 8.240 nan 0.000 0.515 160 G N -0.835 107.903 108.800 -0.103 0.000 2.528 160 G HA2 0.526 4.486 3.960 -0.001 0.000 0.289 160 G HA3 0.526 4.486 3.960 -0.001 0.000 0.289 160 G C 1.028 175.915 174.900 -0.021 0.000 1.192 160 G CA -0.428 44.649 45.100 -0.038 0.000 0.921 160 G HN 1.135 nan 8.290 nan 0.000 0.512 161 A N 0.479 123.307 122.820 0.013 0.000 2.172 161 A HA -0.051 4.269 4.320 -0.001 0.000 0.216 161 A C 1.938 179.547 177.584 0.042 0.000 1.154 161 A CA 1.352 53.407 52.037 0.029 0.000 0.701 161 A CB -0.342 18.685 19.000 0.044 0.000 0.789 161 A HN 0.684 nan 8.150 nan 0.000 0.465 162 N N 0.269 118.995 118.700 0.043 0.000 2.515 162 N HA -0.010 4.729 4.740 -0.001 0.000 0.191 162 N C 0.354 175.882 175.510 0.029 0.000 1.182 162 N CA 0.309 53.388 53.050 0.049 0.000 0.879 162 N CB -0.726 37.798 38.487 0.063 0.000 0.984 162 N HN 0.198 nan 8.380 nan 0.000 0.453 163 V N 1.310 121.234 119.914 0.017 0.000 2.788 163 V HA -0.067 4.053 4.120 -0.001 0.000 0.307 163 V C 0.486 176.641 176.094 0.103 0.000 1.069 163 V CA -0.035 62.283 62.300 0.030 0.000 1.173 163 V CB 0.797 32.614 31.823 -0.011 0.000 0.925 163 V HN 0.367 nan 8.190 nan 0.000 0.492 164 Q N 3.686 123.597 119.800 0.185 0.000 2.340 164 Q HA 0.173 4.512 4.340 -0.001 0.000 0.249 164 Q C 1.046 177.150 176.000 0.174 0.000 0.957 164 Q CA 0.006 55.899 55.803 0.150 0.000 0.882 164 Q CB 1.737 30.552 28.738 0.129 0.000 1.235 164 Q HN 0.755 nan 8.270 nan 0.000 0.439 165 V N 2.235 122.202 119.914 0.088 0.000 2.527 165 V HA -0.367 3.752 4.120 -0.001 0.000 0.255 165 V C 2.151 178.281 176.094 0.061 0.000 1.081 165 V CA 1.805 64.146 62.300 0.068 0.000 1.092 165 V CB -0.866 30.978 31.823 0.035 0.000 0.673 165 V HN 0.816 nan 8.190 nan 0.000 0.470 166 C N -1.159 118.158 119.300 0.028 0.000 2.419 166 C HA -0.159 4.301 4.460 -0.001 0.000 0.281 166 C C 2.395 177.321 174.990 -0.107 0.000 1.336 166 C CA 0.286 59.258 59.018 -0.078 0.000 1.770 166 C CB -1.442 26.185 27.740 -0.188 0.000 1.929 166 C HN 0.768 nan 8.230 nan 0.000 0.509 167 W N 1.095 122.423 121.300 0.047 0.000 2.518 167 W HA 0.006 4.666 4.660 -0.000 0.000 0.273 167 W C 2.391 178.971 176.519 0.102 0.000 1.247 167 W CA 0.474 57.869 57.345 0.084 0.000 1.288 167 W CB -0.406 29.076 29.460 0.037 0.000 1.107 167 W HN 0.410 nan 8.180 nan 0.000 0.586 168 E N 0.545 120.877 120.200 0.220 0.000 2.107 168 E HA -0.147 4.202 4.350 -0.001 0.000 0.191 168 E C 1.949 178.513 176.600 -0.059 0.000 0.982 168 E CA 0.888 57.338 56.400 0.084 0.000 0.809 168 E CB -0.201 29.525 29.700 0.043 0.000 0.756 168 E HN 0.290 nan 8.360 nan 0.000 0.459 169 K N 0.622 120.955 120.400 -0.113 0.000 2.002 169 K HA -0.167 4.152 4.320 -0.001 0.000 0.209 169 K C 2.122 178.533 176.600 -0.315 0.000 1.048 169 K CA 1.267 57.306 56.287 -0.412 0.000 0.930 169 K CB -0.397 31.992 32.500 -0.185 0.000 0.714 169 K HN 0.081 nan 8.250 nan 0.000 0.438 170 F N 2.019 121.934 119.950 -0.059 0.000 2.069 170 F HA -0.267 4.260 4.527 -0.001 0.000 0.298 170 F C 2.281 178.212 175.800 0.219 0.000 1.113 170 F CA 1.617 59.733 58.000 0.193 0.000 1.214 170 F CB -0.533 38.504 39.000 0.061 0.000 0.978 170 F HN 0.016 nan 8.300 nan 0.000 0.474 171 A N 0.559 123.414 122.820 0.058 0.000 1.883 171 A HA -0.259 4.060 4.320 -0.001 0.000 0.217 171 A C 2.421 179.924 177.584 -0.136 0.000 1.186 171 A CA 2.073 54.074 52.037 -0.059 0.000 0.624 171 A CB -0.965 18.083 19.000 0.080 0.000 0.822 171 A HN 0.532 nan 8.150 nan 0.000 0.444 172 R N -2.097 118.301 120.500 -0.170 0.000 2.062 172 R HA -0.122 4.218 4.340 -0.001 0.000 0.229 172 R C 1.927 178.187 176.300 -0.065 0.000 1.128 172 R CA 1.645 57.653 56.100 -0.154 0.000 0.960 172 R CB -0.337 29.822 30.300 -0.236 0.000 0.855 172 R HN 0.560 nan 8.270 nan 0.000 0.432 173 Y N -0.898 119.307 120.300 -0.157 0.000 2.337 173 Y HA -0.014 4.535 4.550 -0.001 0.000 0.293 173 Y C 1.217 176.792 175.900 -0.543 0.000 1.123 173 Y CA 0.508 58.399 58.100 -0.348 0.000 1.201 173 Y CB -0.181 38.018 38.460 -0.435 0.000 1.011 173 Y HN 0.010 nan 8.280 nan 0.000 0.545 174 F N 0.008 119.868 119.950 -0.150 0.000 2.639 174 F HA 0.227 4.753 4.527 -0.001 0.000 0.300 174 F C 0.280 175.941 175.800 -0.231 0.000 1.109 174 F CA -0.642 57.211 58.000 -0.246 0.000 1.335 174 F CB -0.564 38.119 39.000 -0.529 0.000 1.014 174 F HN -0.091 nan 8.300 nan 0.000 0.537 175 E N 0.401 120.564 120.200 -0.061 0.000 2.210 175 E HA -0.165 4.184 4.350 -0.001 0.000 0.201 175 E C -0.953 175.618 176.600 -0.047 0.000 1.339 175 E CA -0.058 56.321 56.400 -0.036 0.000 0.699 175 E CB -1.292 28.410 29.700 0.003 0.000 1.126 175 E HN 0.106 nan 8.360 nan 0.000 0.355 176 V N 0.745 120.599 119.914 -0.099 0.000 2.680 176 V HA 0.256 4.376 4.120 -0.001 0.000 0.309 176 V C 0.335 176.405 176.094 -0.040 0.000 1.052 176 V CA -0.712 61.543 62.300 -0.075 0.000 0.908 176 V CB 1.924 33.705 31.823 -0.071 0.000 1.001 176 V HN 0.302 nan 8.190 nan 0.000 0.431 177 E N 2.641 122.815 120.200 -0.043 0.000 2.289 177 E HA 0.337 4.687 4.350 -0.001 0.000 0.278 177 E C -1.318 175.274 176.600 -0.013 0.000 1.032 177 E CA -0.684 55.699 56.400 -0.030 0.000 0.854 177 E CB 1.286 30.960 29.700 -0.044 0.000 1.046 177 E HN 0.476 nan 8.360 nan 0.000 0.409 178 L N 5.389 126.614 121.223 0.004 0.000 2.264 178 L HA 0.285 4.624 4.340 -0.001 0.000 0.287 178 L C -0.778 176.084 176.870 -0.013 0.000 1.039 178 L CA -0.094 54.754 54.840 0.013 0.000 0.829 178 L CB 0.632 42.719 42.059 0.047 0.000 1.211 178 L HN 0.433 nan 8.230 nan 0.000 0.427 179 K N 4.700 125.078 120.400 -0.037 0.000 2.267 179 K HA 0.331 4.651 4.320 -0.001 0.000 0.282 179 K C -0.615 175.958 176.600 -0.045 0.000 1.078 179 K CA -0.195 56.068 56.287 -0.040 0.000 0.903 179 K CB 0.830 33.299 32.500 -0.052 0.000 1.111 179 K HN 0.551 nan 8.250 nan 0.000 0.475 180 E N 2.025 122.208 120.200 -0.029 0.000 2.175 180 E HA 0.181 4.530 4.350 -0.001 0.000 0.278 180 E C -0.681 175.906 176.600 -0.021 0.000 0.969 180 E CA -0.802 55.581 56.400 -0.028 0.000 0.796 180 E CB 2.019 31.713 29.700 -0.010 0.000 1.104 180 E HN 0.172 nan 8.360 nan 0.000 0.395 181 V N 4.298 124.197 119.914 -0.025 0.000 2.427 181 V HA 0.070 4.190 4.120 -0.001 0.000 0.268 181 V C 0.394 176.489 176.094 0.001 0.000 1.046 181 V CA -0.270 62.021 62.300 -0.015 0.000 0.970 181 V CB 0.283 32.096 31.823 -0.017 0.000 1.001 181 V HN 0.565 nan 8.190 nan 0.000 0.476 182 K N 3.662 124.063 120.400 0.001 0.000 2.276 182 K HA 0.329 4.649 4.320 -0.001 0.000 0.259 182 K C -0.559 176.055 176.600 0.023 0.000 1.001 182 K CA -0.585 55.711 56.287 0.016 0.000 0.927 182 K CB 0.453 32.961 32.500 0.013 0.000 0.969 182 K HN 0.299 nan 8.250 nan 0.000 0.490 183 L N 1.115 122.366 121.223 0.046 0.000 2.357 183 L HA 0.242 4.582 4.340 -0.001 0.000 0.273 183 L C 0.019 176.897 176.870 0.014 0.000 1.080 183 L CA 0.380 55.254 54.840 0.056 0.000 0.803 183 L CB 1.607 43.724 42.059 0.098 0.000 1.174 183 L HN 0.567 nan 8.230 nan 0.000 0.443 184 S N 0.263 115.946 115.700 -0.027 0.000 2.621 184 S HA 0.360 4.830 4.470 -0.001 0.000 0.302 184 S C -0.498 174.017 174.600 -0.141 0.000 1.093 184 S CA -0.808 57.360 58.200 -0.053 0.000 1.017 184 S CB 1.478 64.623 63.200 -0.091 0.000 1.077 184 S HN 0.539 nan 8.310 nan 0.000 0.517 185 E N 0.366 120.536 120.200 -0.050 0.000 2.493 185 E HA 0.298 4.648 4.350 -0.001 0.000 0.255 185 E C 1.086 177.583 176.600 -0.173 0.000 0.999 185 E CA 0.841 57.205 56.400 -0.059 0.000 0.934 185 E CB -0.173 29.618 29.700 0.152 0.000 0.940 185 E HN 0.952 nan 8.360 nan 0.000 0.473 186 G N 3.910 112.467 108.800 -0.405 0.000 2.179 186 G HA2 -0.331 3.629 3.960 -0.001 0.000 0.260 186 G HA3 -0.331 3.629 3.960 -0.001 0.000 0.260 186 G C -0.350 174.317 174.900 -0.388 0.000 0.977 186 G CA 0.469 45.420 45.100 -0.248 0.000 0.641 186 G HN 0.615 nan 8.290 nan 0.000 0.533 187 Y N 0.211 120.024 120.300 -0.812 0.000 2.594 187 Y HA 0.573 5.123 4.550 -0.001 0.000 0.338 187 Y C 0.457 176.052 175.900 -0.510 0.000 1.019 187 Y CA -1.149 56.672 58.100 -0.464 0.000 1.306 187 Y CB 0.683 38.998 38.460 -0.241 0.000 1.094 187 Y HN 0.108 nan 8.280 nan 0.000 0.534 188 Y N 3.422 123.695 120.300 -0.045 0.000 2.507 188 Y HA 0.261 4.811 4.550 -0.001 0.000 0.254 188 Y C 0.588 176.479 175.900 -0.016 0.000 1.171 188 Y CA -0.343 57.760 58.100 0.004 0.000 1.238 188 Y CB 0.202 38.657 38.460 -0.009 0.000 1.148 188 Y HN 0.296 nan 8.280 nan 0.000 0.525 189 V N -2.635 117.280 119.914 0.001 0.000 3.234 189 V HA 0.457 4.576 4.120 -0.001 0.000 0.317 189 V C 0.093 176.257 176.094 0.116 0.000 1.147 189 V CA -1.631 60.677 62.300 0.013 0.000 1.037 189 V CB 1.957 33.734 31.823 -0.076 0.000 1.148 189 V HN 0.098 nan 8.190 nan 0.000 0.455 190 M N 2.432 122.081 119.600 0.082 0.000 2.188 190 M HA 0.297 4.776 4.480 -0.001 0.000 0.354 190 M C -0.377 176.022 176.300 0.163 0.000 1.342 190 M CA -0.122 55.236 55.300 0.097 0.000 1.117 190 M CB 0.390 32.996 32.600 0.011 0.000 1.670 190 M HN 1.004 nan 8.290 nan 0.000 0.466 191 D N 7.260 127.770 120.400 0.184 0.000 2.338 191 D HA 0.210 4.849 4.640 -0.001 0.000 0.255 191 D C -2.005 174.327 176.300 0.053 0.000 1.237 191 D CA -1.921 52.164 54.000 0.143 0.000 0.883 191 D CB 1.226 42.000 40.800 -0.044 0.000 1.087 191 D HN 0.337 nan 8.370 nan 0.000 0.485 192 P HA -0.217 nan 4.420 nan 0.000 0.215 192 P C 1.185 178.489 177.300 0.007 0.000 1.157 192 P CA 1.243 64.356 63.100 0.021 0.000 0.874 192 P CB 0.229 31.944 31.700 0.026 0.000 0.790 193 Q N 0.221 120.023 119.800 0.004 0.000 2.002 193 Q HA -0.221 4.119 4.340 -0.001 0.000 0.204 193 Q C 2.297 178.289 176.000 -0.013 0.000 0.988 193 Q CA 1.959 57.757 55.803 -0.007 0.000 0.843 193 Q CB -1.097 27.632 28.738 -0.016 0.000 0.908 193 Q HN 0.275 nan 8.270 nan 0.000 0.420 194 Q N -0.661 119.124 119.800 -0.026 0.000 2.181 194 Q HA -0.174 4.166 4.340 -0.001 0.000 0.205 194 Q C 1.986 177.975 176.000 -0.018 0.000 0.980 194 Q CA 1.310 57.096 55.803 -0.029 0.000 0.862 194 Q CB -0.289 28.421 28.738 -0.047 0.000 0.905 194 Q HN 0.510 nan 8.270 nan 0.000 0.429 195 A N 0.391 123.201 122.820 -0.017 0.000 1.858 195 A HA -0.139 4.181 4.320 -0.001 0.000 0.216 195 A C 2.326 179.904 177.584 -0.011 0.000 1.190 195 A CA 1.407 53.431 52.037 -0.022 0.000 0.617 195 A CB -0.743 18.239 19.000 -0.030 0.000 0.827 195 A HN 0.215 nan 8.150 nan 0.000 0.443 196 V N 0.883 120.797 119.914 -0.000 0.000 2.490 196 V HA -0.234 3.885 4.120 -0.001 0.000 0.250 196 V C 1.899 178.015 176.094 0.037 0.000 1.061 196 V CA 2.231 64.542 62.300 0.019 0.000 1.064 196 V CB -0.861 30.971 31.823 0.016 0.000 0.670 196 V HN 0.488 nan 8.190 nan 0.000 0.461 197 D N -0.548 119.866 120.400 0.023 0.000 2.224 197 D HA -0.071 4.568 4.640 -0.001 0.000 0.205 197 D C 2.080 178.405 176.300 0.041 0.000 0.965 197 D CA 1.040 55.059 54.000 0.031 0.000 0.852 197 D CB -0.119 40.688 40.800 0.012 0.000 0.947 197 D HN 0.374 nan 8.370 nan 0.000 0.494 198 M N 0.232 119.846 119.600 0.023 0.000 2.447 198 M HA -0.001 4.478 4.480 -0.001 0.000 0.264 198 M C 0.357 176.669 176.300 0.021 0.000 1.095 198 M CA 0.191 55.498 55.300 0.013 0.000 1.125 198 M CB 0.588 33.180 32.600 -0.014 0.000 1.389 198 M HN -0.262 nan 8.290 nan 0.000 0.459 199 V N 3.232 123.175 119.914 0.049 0.000 2.617 199 V HA -0.094 4.026 4.120 -0.001 0.000 0.304 199 V C -0.053 176.118 176.094 0.128 0.000 1.040 199 V CA 0.371 62.715 62.300 0.072 0.000 1.149 199 V CB -0.216 31.691 31.823 0.139 0.000 0.914 199 V HN 0.413 nan 8.190 nan 0.000 0.487 200 D N 3.258 123.606 120.400 -0.087 0.000 2.758 200 D HA 0.250 4.889 4.640 -0.001 0.000 0.279 200 D C 0.927 176.603 176.300 -1.040 0.000 1.111 200 D CA -0.512 53.250 54.000 -0.397 0.000 1.109 200 D CB 0.474 41.151 40.800 -0.205 0.000 1.428 200 D HN 0.383 nan 8.370 nan 0.000 0.586 201 E N -0.082 119.274 120.200 -1.407 0.000 2.265 201 E HA -0.170 4.180 4.350 -0.001 0.000 0.196 201 E C 0.172 176.554 176.600 -0.364 0.000 0.996 201 E CA 0.870 56.462 56.400 -1.345 0.000 0.832 201 E CB -0.516 28.680 29.700 -0.840 0.000 0.756 201 E HN 0.383 nan 8.360 nan 0.000 0.491 202 N N 0.826 119.384 118.700 -0.237 0.000 2.280 202 N HA 0.021 4.761 4.740 -0.001 0.000 0.192 202 N C -0.358 174.864 175.510 -0.481 0.000 1.109 202 N CA 0.240 53.228 53.050 -0.103 0.000 0.855 202 N CB 0.585 39.026 38.487 -0.076 0.000 0.974 202 N HN 0.025 nan 8.380 nan 0.000 0.482 203 T N 2.243 116.578 114.554 -0.364 0.000 2.738 203 T HA 0.151 4.501 4.350 -0.001 0.000 0.293 203 T C 1.906 176.366 174.700 -0.399 0.000 0.913 203 T CA -0.305 61.588 62.100 -0.345 0.000 1.103 203 T CB 0.402 69.152 68.868 -0.196 0.000 0.880 203 T HN 0.236 nan 8.240 nan 0.000 0.526 204 I N 0.992 121.248 120.570 -0.523 0.000 2.761 204 I HA 0.197 4.367 4.170 -0.001 0.000 0.261 204 I C 0.825 176.765 176.117 -0.294 0.000 1.198 204 I CA -0.099 60.972 61.300 -0.382 0.000 1.482 204 I CB -0.103 37.725 38.000 -0.285 0.000 1.100 204 I HN 0.646 nan 8.210 nan 0.000 0.445 205 C N -1.113 117.959 119.300 -0.380 0.000 3.197 205 C HA 0.625 5.085 4.460 -0.001 0.000 0.343 205 C C -0.762 174.013 174.990 -0.359 0.000 1.291 205 C CA -0.994 57.711 59.018 -0.521 0.000 1.191 205 C CB 0.987 27.966 27.740 -1.268 0.000 1.444 205 C HN 0.018 nan 8.230 nan 0.000 0.468 206 V N 2.186 121.923 119.914 -0.296 0.000 2.347 206 V HA 0.713 4.833 4.120 -0.001 0.000 0.280 206 V C 0.773 176.710 176.094 -0.262 0.000 1.021 206 V CA 0.427 62.586 62.300 -0.235 0.000 0.847 206 V CB 1.235 32.974 31.823 -0.140 0.000 0.990 206 V HN 1.439 nan 8.190 nan 0.000 0.444 207 A N 4.567 127.167 122.820 -0.367 0.000 2.260 207 A HA 0.836 5.156 4.320 -0.001 0.000 0.312 207 A C 0.329 177.719 177.584 -0.324 0.000 1.321 207 A CA -0.200 51.581 52.037 -0.427 0.000 0.928 207 A CB 0.531 18.899 19.000 -1.053 0.000 1.158 207 A HN 1.164 nan 8.150 nan 0.000 0.542 208 A N 3.009 125.713 122.820 -0.192 0.000 2.303 208 A HA 0.739 5.058 4.320 -0.001 0.000 0.317 208 A C -0.288 177.214 177.584 -0.137 0.000 1.149 208 A CA -0.482 51.465 52.037 -0.149 0.000 0.822 208 A CB 0.363 19.298 19.000 -0.107 0.000 1.131 208 A HN 0.762 nan 8.150 nan 0.000 0.493 209 I N 2.187 122.687 120.570 -0.117 0.000 2.330 209 I HA 0.190 4.359 4.170 -0.001 0.000 0.289 209 I C -0.573 175.463 176.117 -0.135 0.000 1.001 209 I CA -0.428 60.813 61.300 -0.099 0.000 1.193 209 I CB 1.567 39.534 38.000 -0.055 0.000 1.345 209 I HN 0.523 nan 8.210 nan 0.000 0.461 210 L N 7.368 128.438 121.223 -0.256 0.000 2.422 210 L HA 0.547 4.887 4.340 -0.001 0.000 0.256 210 L C 0.433 177.112 176.870 -0.319 0.000 1.202 210 L CA 0.273 54.819 54.840 -0.489 0.000 1.119 210 L CB -0.126 41.370 42.059 -0.940 0.000 1.383 210 L HN 0.820 nan 8.230 nan 0.000 0.411 211 G N 1.587 110.445 108.800 0.097 0.000 2.499 211 G HA2 -0.141 3.819 3.960 -0.001 0.000 0.474 211 G HA3 -0.141 3.819 3.960 -0.001 0.000 0.474 211 G C -0.272 174.666 174.900 0.063 0.000 1.044 211 G CA -0.173 45.065 45.100 0.231 0.000 1.316 211 G HN 0.636 nan 8.290 nan 0.000 0.617 212 S N 0.663 116.401 115.700 0.064 0.000 2.549 212 S HA 0.460 4.930 4.470 -0.001 0.000 0.283 212 S C 2.066 176.681 174.600 0.025 0.000 1.320 212 S CA 1.063 59.278 58.200 0.026 0.000 1.058 212 S CB 0.756 63.981 63.200 0.042 0.000 0.882 212 S HN 1.788 nan 8.310 nan 0.000 0.498 213 T N 3.779 118.310 114.554 -0.038 0.000 3.098 213 T HA 0.042 4.392 4.350 -0.001 0.000 0.266 213 T C 1.452 176.221 174.700 0.115 0.000 1.145 213 T CA 0.753 62.837 62.100 -0.027 0.000 1.092 213 T CB -0.380 68.405 68.868 -0.139 0.000 0.908 213 T HN 0.608 nan 8.240 nan 0.000 0.526 214 L N 0.946 122.221 121.223 0.087 0.000 2.253 214 L HA 0.286 4.626 4.340 -0.001 0.000 0.205 214 L C 2.009 178.954 176.870 0.126 0.000 1.078 214 L CA 0.859 55.778 54.840 0.131 0.000 0.805 214 L CB -0.215 41.907 42.059 0.105 0.000 0.963 214 L HN 0.457 nan 8.230 nan 0.000 0.459 215 N N -1.232 117.511 118.700 0.072 0.000 2.110 215 N HA 0.038 4.778 4.740 -0.001 0.000 0.230 215 N C 0.924 176.451 175.510 0.028 0.000 1.353 215 N CA 0.548 53.608 53.050 0.017 0.000 0.807 215 N CB 0.420 38.867 38.487 -0.066 0.000 1.244 215 N HN 0.138 nan 8.380 nan 0.000 0.504 216 G N 0.908 109.758 108.800 0.084 0.000 2.187 216 G HA2 -0.362 3.598 3.960 -0.001 0.000 0.261 216 G HA3 -0.362 3.598 3.960 -0.001 0.000 0.261 216 G C -0.254 174.618 174.900 -0.046 0.000 1.000 216 G CA 0.769 45.913 45.100 0.074 0.000 0.718 216 G HN 0.707 nan 8.290 nan 0.000 0.519 217 E N -0.217 119.963 120.200 -0.034 0.000 2.331 217 E HA 0.487 4.837 4.350 -0.001 0.000 0.272 217 E C -0.093 176.542 176.600 0.059 0.000 1.036 217 E CA -0.957 55.387 56.400 -0.094 0.000 0.864 217 E CB 0.204 29.863 29.700 -0.068 0.000 1.035 217 E HN 0.018 nan 8.360 nan 0.000 0.408 218 F N 2.827 122.688 119.950 -0.148 0.000 2.427 218 F HA 0.182 4.709 4.527 -0.000 0.000 0.352 218 F C 0.851 176.563 175.800 -0.145 0.000 1.100 218 F CA -0.712 57.181 58.000 -0.178 0.000 1.191 218 F CB 0.533 39.392 39.000 -0.235 0.000 1.128 218 F HN 0.431 nan 8.300 nan 0.000 0.533 219 E N 1.076 121.307 120.200 0.052 0.000 2.373 219 E HA -0.019 4.330 4.350 -0.001 0.000 0.263 219 E C -0.464 176.136 176.600 -0.000 0.000 1.073 219 E CA -0.394 56.005 56.400 -0.002 0.000 0.894 219 E CB 0.675 30.358 29.700 -0.028 0.000 1.008 219 E HN 0.326 nan 8.360 nan 0.000 0.420 220 D N 2.503 122.904 120.400 0.002 0.000 2.545 220 D HA 0.010 4.650 4.640 -0.001 0.000 0.227 220 D C 0.667 176.972 176.300 0.008 0.000 1.150 220 D CA 0.018 54.025 54.000 0.011 0.000 1.046 220 D CB 0.135 40.945 40.800 0.017 0.000 1.098 220 D HN 0.154 nan 8.370 nan 0.000 0.502 221 V N 3.111 123.028 119.914 0.006 0.000 2.407 221 V HA -0.236 3.884 4.120 -0.001 0.000 0.248 221 V C 2.530 178.627 176.094 0.006 0.000 1.055 221 V CA 1.544 63.844 62.300 0.001 0.000 1.049 221 V CB -0.418 31.415 31.823 0.016 0.000 0.662 221 V HN 0.451 nan 8.190 nan 0.000 0.455 222 K N -0.113 120.299 120.400 0.019 0.000 2.057 222 K HA -0.214 4.106 4.320 -0.001 0.000 0.207 222 K C 2.159 178.764 176.600 0.008 0.000 1.049 222 K CA 1.632 57.926 56.287 0.012 0.000 0.931 222 K CB -0.231 32.281 32.500 0.019 0.000 0.714 222 K HN 0.344 nan 8.250 nan 0.000 0.440 223 L N 1.362 122.592 121.223 0.012 0.000 2.017 223 L HA -0.125 4.215 4.340 -0.001 0.000 0.208 223 L C 2.111 178.986 176.870 0.007 0.000 1.073 223 L CA 1.355 56.202 54.840 0.011 0.000 0.745 223 L CB -0.720 41.350 42.059 0.017 0.000 0.894 223 L HN 0.275 nan 8.230 nan 0.000 0.432 224 L N 0.128 121.353 121.223 0.004 0.000 2.042 224 L HA -0.274 4.065 4.340 -0.001 0.000 0.210 224 L C 2.276 179.146 176.870 -0.001 0.000 1.076 224 L CA 2.360 57.199 54.840 -0.002 0.000 0.749 224 L CB -1.001 41.049 42.059 -0.014 0.000 0.893 224 L HN 0.614 nan 8.230 nan 0.000 0.432 225 N N -1.110 117.590 118.700 -0.001 0.000 2.120 225 N HA -0.217 4.523 4.740 -0.001 0.000 0.188 225 N C 1.543 177.057 175.510 0.007 0.000 1.024 225 N CA 1.636 54.688 53.050 0.004 0.000 0.852 225 N CB -0.120 38.367 38.487 0.000 0.000 1.003 225 N HN 0.377 nan 8.380 nan 0.000 0.424 226 D N 0.209 120.613 120.400 0.005 0.000 2.097 226 D HA -0.122 4.518 4.640 -0.001 0.000 0.195 226 D C 1.972 178.274 176.300 0.004 0.000 0.989 226 D CA 0.887 54.890 54.000 0.005 0.000 0.827 226 D CB -0.343 40.459 40.800 0.004 0.000 0.966 226 D HN 0.344 nan 8.370 nan 0.000 0.456 227 L N 0.215 121.441 121.223 0.004 0.000 2.093 227 L HA -0.084 4.255 4.340 -0.001 0.000 0.208 227 L C 2.532 179.406 176.870 0.005 0.000 1.085 227 L CA 0.520 55.362 54.840 0.003 0.000 0.755 227 L CB -0.216 41.846 42.059 0.004 0.000 0.904 227 L HN 0.085 nan 8.230 nan 0.000 0.435 228 L N -0.657 120.573 121.223 0.011 0.000 2.156 228 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 228 L C 2.424 179.307 176.870 0.021 0.000 1.095 228 L CA 0.677 55.530 54.840 0.022 0.000 0.770 228 L CB 0.080 42.154 42.059 0.025 0.000 0.914 228 L HN 0.068 nan 8.230 nan 0.000 0.439 229 V N -0.270 119.653 119.914 0.015 0.000 2.427 229 V HA -0.226 3.894 4.120 -0.001 0.000 0.248 229 V C 2.490 178.583 176.094 -0.002 0.000 1.051 229 V CA 1.447 63.754 62.300 0.012 0.000 1.048 229 V CB -0.403 31.426 31.823 0.011 0.000 0.666 229 V HN 0.426 nan 8.190 nan 0.000 0.456 230 E N 0.373 120.569 120.200 -0.007 0.000 2.031 230 E HA -0.249 4.101 4.350 -0.001 0.000 0.193 230 E C 2.197 178.775 176.600 -0.037 0.000 0.994 230 E CA 1.480 57.868 56.400 -0.020 0.000 0.800 230 E CB -0.328 29.362 29.700 -0.017 0.000 0.752 230 E HN 0.592 nan 8.360 nan 0.000 0.447 231 K N 0.733 121.114 120.400 -0.033 0.000 2.147 231 K HA -0.128 4.192 4.320 -0.001 0.000 0.205 231 K C 1.714 178.253 176.600 -0.102 0.000 1.049 231 K CA 1.174 57.424 56.287 -0.062 0.000 0.936 231 K CB 0.073 32.560 32.500 -0.022 0.000 0.722 231 K HN -0.063 nan 8.250 nan 0.000 0.446 232 N N 1.040 119.712 118.700 -0.047 0.000 2.244 232 N HA -0.109 4.631 4.740 -0.001 0.000 0.183 232 N C 1.174 176.637 175.510 -0.079 0.000 1.016 232 N CA 1.106 54.131 53.050 -0.042 0.000 0.866 232 N CB 0.032 38.532 38.487 0.022 0.000 0.980 232 N HN 0.261 nan 8.380 nan 0.000 0.430 233 K N 0.377 120.737 120.400 -0.066 0.000 2.147 233 K HA -0.100 4.220 4.320 -0.001 0.000 0.205 233 K C 1.569 178.107 176.600 -0.104 0.000 1.049 233 K CA 0.990 57.238 56.287 -0.066 0.000 0.936 233 K CB 0.092 32.564 32.500 -0.046 0.000 0.722 233 K HN 0.078 nan 8.250 nan 0.000 0.446 234 E N -0.220 119.893 120.200 -0.144 0.000 2.014 234 E HA -0.099 4.251 4.350 -0.001 0.000 0.190 234 E C 2.152 178.572 176.600 -0.302 0.000 0.980 234 E CA 1.828 58.116 56.400 -0.185 0.000 0.807 234 E CB -0.472 29.121 29.700 -0.178 0.000 0.770 234 E HN 0.371 nan 8.360 nan 0.000 0.451 235 T N -2.852 111.402 114.554 -0.501 0.000 2.867 235 T HA 0.002 4.352 4.350 -0.001 0.000 0.268 235 T C 1.780 176.020 174.700 -0.767 0.000 1.057 235 T CA 1.449 62.956 62.100 -0.989 0.000 1.136 235 T CB -0.346 67.338 68.868 -1.974 0.000 0.874 235 T HN 0.351 nan 8.240 nan 0.000 0.466 236 G N 0.230 108.801 108.800 -0.382 0.000 2.234 236 G HA2 -0.208 3.752 3.960 -0.001 0.000 0.260 236 G HA3 -0.208 3.752 3.960 -0.001 0.000 0.260 236 G C 0.086 175.010 174.900 0.041 0.000 0.987 236 G CA 0.082 45.100 45.100 -0.136 0.000 0.625 236 G HN 0.564 nan 8.290 nan 0.000 0.532 237 W N 0.889 122.220 121.300 0.051 0.000 2.158 237 W HA 0.569 5.228 4.660 -0.001 0.000 0.339 237 W C 0.251 176.813 176.519 0.073 0.000 1.294 237 W CA -0.382 57.008 57.345 0.075 0.000 1.231 237 W CB 0.114 29.628 29.460 0.090 0.000 1.143 237 W HN 0.067 nan 8.180 nan 0.000 0.571 238 D N 1.246 121.837 120.400 0.319 0.000 3.133 238 D HA 0.087 4.726 4.640 -0.001 0.000 0.288 238 D C -0.299 176.132 176.300 0.218 0.000 1.346 238 D CA -0.038 54.091 54.000 0.217 0.000 0.934 238 D CB -0.080 40.825 40.800 0.175 0.000 1.042 238 D HN 0.007 nan 8.370 nan 0.000 0.506 239 T N 2.661 117.351 114.554 0.226 0.000 2.829 239 T HA 0.213 4.562 4.350 -0.001 0.000 0.293 239 T C -2.262 172.499 174.700 0.103 0.000 0.970 239 T CA -0.799 61.396 62.100 0.159 0.000 1.168 239 T CB 1.074 70.038 68.868 0.160 0.000 0.911 239 T HN 0.249 nan 8.240 nan 0.000 0.535 240 P HA 0.565 nan 4.420 nan 0.000 0.283 240 P C -0.557 176.722 177.300 -0.036 0.000 1.271 240 P CA -0.846 62.306 63.100 0.086 0.000 0.841 240 P CB 0.990 32.832 31.700 0.237 0.000 1.122 241 I N 0.706 121.303 120.570 0.045 0.000 2.441 241 I HA 0.351 4.521 4.170 -0.001 0.000 0.295 241 I C -0.038 176.151 176.117 0.121 0.000 0.994 241 I CA -0.657 60.643 61.300 -0.000 0.000 1.144 241 I CB 1.361 39.361 38.000 0.000 0.000 1.314 241 I HN 0.445 nan 8.210 nan 0.000 0.445 242 H N 5.126 124.175 119.070 -0.034 0.000 2.466 242 H HA 0.562 5.117 4.556 -0.001 0.000 0.338 242 H C -1.411 173.925 175.328 0.015 0.000 1.091 242 H CA -0.504 55.621 56.048 0.130 0.000 1.207 242 H CB 1.606 31.566 29.762 0.330 0.000 1.466 242 H HN 0.238 nan 8.280 nan 0.000 0.493 243 V N 5.251 124.853 119.914 -0.520 0.000 2.333 243 V HA 0.077 4.197 4.120 -0.001 0.000 0.274 243 V C -0.016 175.847 176.094 -0.385 0.000 1.028 243 V CA -0.781 61.306 62.300 -0.354 0.000 0.851 243 V CB 0.995 32.670 31.823 -0.247 0.000 1.000 243 V HN 0.820 nan 8.190 nan 0.000 0.456 244 D N 5.063 125.418 120.400 -0.075 0.000 2.435 244 D HA 0.285 4.925 4.640 -0.001 0.000 0.230 244 D C 0.604 176.847 176.300 -0.094 0.000 1.215 244 D CA -0.139 53.913 54.000 0.086 0.000 0.947 244 D CB 1.227 42.231 40.800 0.339 0.000 1.048 244 D HN 0.632 nan 8.370 nan 0.000 0.512 245 A N 3.473 126.186 122.820 -0.179 0.000 2.833 245 A HA 0.511 4.831 4.320 -0.001 0.000 0.293 245 A C 1.787 179.299 177.584 -0.119 0.000 1.338 245 A CA 0.271 52.129 52.037 -0.299 0.000 0.959 245 A CB -0.134 18.545 19.000 -0.535 0.000 1.094 245 A HN 0.555 nan 8.150 nan 0.000 0.569 246 A N 0.715 123.517 122.820 -0.030 0.000 1.896 246 A HA -0.244 4.075 4.320 -0.001 0.000 0.220 246 A C 2.456 180.112 177.584 0.121 0.000 1.206 246 A CA 2.881 54.944 52.037 0.043 0.000 0.647 246 A CB -0.641 18.368 19.000 0.014 0.000 0.828 246 A HN 1.125 nan 8.150 nan 0.000 0.455 247 S N -2.178 113.577 115.700 0.091 0.000 2.620 247 S HA 0.264 4.734 4.470 -0.001 0.000 0.234 247 S C 2.096 176.808 174.600 0.188 0.000 1.064 247 S CA 0.862 59.228 58.200 0.277 0.000 0.920 247 S CB -1.080 62.305 63.200 0.307 0.000 0.826 247 S HN 0.794 nan 8.310 nan 0.000 0.557 248 G N 1.500 110.281 108.800 -0.031 0.000 2.501 248 G HA2 0.087 4.046 3.960 -0.001 0.000 0.220 248 G HA3 0.087 4.046 3.960 -0.001 0.000 0.220 248 G C 1.320 175.978 174.900 -0.403 0.000 1.114 248 G CA 0.683 45.634 45.100 -0.248 0.000 0.757 248 G HN 0.654 nan 8.290 nan 0.000 0.559 249 G N 0.137 108.757 108.800 -0.299 0.000 2.432 249 G HA2 -0.113 3.847 3.960 -0.001 0.000 0.219 249 G HA3 -0.113 3.847 3.960 -0.001 0.000 0.219 249 G C 1.035 175.910 174.900 -0.042 0.000 1.135 249 G CA 0.280 45.232 45.100 -0.246 0.000 0.767 249 G HN 0.370 nan 8.290 nan 0.000 0.550 250 F N -0.146 119.935 119.950 0.218 0.000 2.647 250 F HA 0.494 5.020 4.527 -0.001 0.000 0.300 250 F C 1.574 177.626 175.800 0.420 0.000 1.106 250 F CA -0.416 57.796 58.000 0.354 0.000 1.313 250 F CB 0.418 39.677 39.000 0.431 0.000 1.007 250 F HN 0.056 nan 8.300 nan 0.000 0.536 251 I N -1.810 118.952 120.570 0.320 0.000 3.739 251 I HA 0.100 4.270 4.170 -0.001 0.000 0.272 251 I C 2.385 178.624 176.117 0.204 0.000 1.167 251 I CA 0.640 62.105 61.300 0.273 0.000 1.386 251 I CB -0.563 37.526 38.000 0.147 0.000 1.490 251 I HN -0.043 nan 8.210 nan 0.000 0.452 252 A N 2.225 125.107 122.820 0.103 0.000 1.883 252 A HA -0.113 4.207 4.320 -0.001 0.000 0.217 252 A C -0.306 177.352 177.584 0.123 0.000 1.186 252 A CA 2.025 54.162 52.037 0.166 0.000 0.624 252 A CB -2.035 16.819 19.000 -0.243 0.000 0.822 252 A HN 0.246 nan 8.150 nan 0.000 0.444 253 P HA -0.097 nan 4.420 nan 0.000 0.221 253 P C 0.548 177.629 177.300 -0.365 0.000 1.145 253 P CA 1.058 63.998 63.100 -0.268 0.000 0.795 253 P CB -0.085 31.219 31.700 -0.660 0.000 0.775 254 F N -2.774 117.264 119.950 0.148 0.000 2.553 254 F HA 0.213 4.740 4.527 -0.001 0.000 0.282 254 F C 2.069 177.857 175.800 -0.019 0.000 1.089 254 F CA 0.337 58.404 58.000 0.111 0.000 1.411 254 F CB -0.868 38.222 39.000 0.149 0.000 1.125 254 F HN -0.260 nan 8.300 nan 0.000 0.610 255 L N -1.413 119.789 121.223 -0.036 0.000 2.253 255 L HA 0.026 4.366 4.340 -0.001 0.000 0.205 255 L C -0.092 176.432 176.870 -0.577 0.000 1.078 255 L CA 0.903 55.454 54.840 -0.481 0.000 0.805 255 L CB -0.078 41.371 42.059 -1.017 0.000 0.963 255 L HN 0.084 nan 8.230 nan 0.000 0.459 256 Y N -1.657 118.732 120.300 0.149 0.000 2.470 256 Y HA 0.323 4.873 4.550 -0.001 0.000 0.352 256 Y C -1.985 174.000 175.900 0.141 0.000 0.967 256 Y CA -2.485 55.697 58.100 0.136 0.000 1.121 256 Y CB -0.212 38.343 38.460 0.158 0.000 1.149 256 Y HN -0.047 nan 8.280 nan 0.000 0.641 257 P HA -0.102 nan 4.420 nan 0.000 0.225 257 P C 0.627 178.009 177.300 0.136 0.000 1.148 257 P CA 1.334 64.519 63.100 0.142 0.000 0.779 257 P CB 0.431 32.183 31.700 0.086 0.000 0.780 258 E N -0.635 119.659 120.200 0.156 0.000 2.208 258 E HA -0.054 4.296 4.350 -0.001 0.000 0.193 258 E C 0.678 177.356 176.600 0.130 0.000 0.988 258 E CA 0.172 56.644 56.400 0.121 0.000 0.828 258 E CB -0.739 29.032 29.700 0.117 0.000 0.763 258 E HN 0.151 nan 8.360 nan 0.000 0.478 259 L N 2.501 123.844 121.223 0.200 0.000 2.477 259 L HA 0.027 4.367 4.340 -0.001 0.000 0.272 259 L C -0.335 176.663 176.870 0.214 0.000 1.157 259 L CA 0.431 55.400 54.840 0.216 0.000 0.889 259 L CB 0.349 42.578 42.059 0.283 0.000 1.158 259 L HN -0.038 nan 8.230 nan 0.000 0.473 260 E N 6.946 127.212 120.200 0.110 0.000 2.052 260 E HA 0.089 4.438 4.350 -0.001 0.000 0.283 260 E C -0.234 176.393 176.600 0.044 0.000 1.071 260 E CA 0.146 56.549 56.400 0.004 0.000 0.851 260 E CB 0.376 30.064 29.700 -0.019 0.000 1.066 260 E HN 0.821 nan 8.360 nan 0.000 0.396 261 W N 3.407 124.618 121.300 -0.147 0.000 2.120 261 W HA 0.077 4.737 4.660 -0.001 0.000 0.227 261 W C -0.173 176.163 176.519 -0.305 0.000 0.910 261 W CA -0.174 57.038 57.345 -0.221 0.000 1.111 261 W CB -0.060 29.229 29.460 -0.285 0.000 0.887 261 W HN 0.336 nan 8.180 nan 0.000 0.598 262 D N 0.988 120.661 120.400 -1.211 0.000 2.440 262 D HA 0.179 4.819 4.640 -0.001 0.000 0.282 262 D C 0.843 176.711 176.300 -0.720 0.000 1.189 262 D CA -0.383 52.760 54.000 -1.428 0.000 1.105 262 D CB -0.552 39.132 40.800 -1.861 0.000 1.173 262 D HN -0.237 nan 8.370 nan 0.000 0.577 263 F N -0.392 119.303 119.950 -0.426 0.000 2.641 263 F HA 0.164 4.690 4.527 -0.000 0.000 0.298 263 F C 2.312 178.006 175.800 -0.178 0.000 1.146 263 F CA 0.274 58.139 58.000 -0.224 0.000 1.464 263 F CB -0.532 38.376 39.000 -0.153 0.000 1.101 263 F HN 0.051 nan 8.300 nan 0.000 0.585 264 R N -0.036 120.408 120.500 -0.092 0.000 2.152 264 R HA -0.043 4.297 4.340 -0.001 0.000 0.232 264 R C 0.434 176.705 176.300 -0.048 0.000 1.117 264 R CA 0.565 56.622 56.100 -0.072 0.000 0.981 264 R CB -0.274 29.954 30.300 -0.121 0.000 0.870 264 R HN 0.214 nan 8.270 nan 0.000 0.451 265 L N 1.777 122.958 121.223 -0.072 0.000 2.313 265 L HA 0.161 4.501 4.340 -0.001 0.000 0.282 265 L C -1.657 175.224 176.870 0.018 0.000 1.092 265 L CA -1.871 52.950 54.840 -0.033 0.000 0.831 265 L CB 1.004 43.030 42.059 -0.055 0.000 1.159 265 L HN -0.169 nan 8.230 nan 0.000 0.442 266 P HA -0.153 nan 4.420 nan 0.000 0.216 266 P C 1.554 178.901 177.300 0.078 0.000 1.150 266 P CA 1.223 64.353 63.100 0.050 0.000 0.837 266 P CB 0.293 32.014 31.700 0.035 0.000 0.786 267 L N -1.765 119.499 121.223 0.068 0.000 2.492 267 L HA 0.022 4.362 4.340 -0.001 0.000 0.223 267 L C 0.418 177.361 176.870 0.122 0.000 1.132 267 L CA 0.092 54.985 54.840 0.089 0.000 0.850 267 L CB -0.226 41.870 42.059 0.061 0.000 0.966 267 L HN -0.213 nan 8.230 nan 0.000 0.454 268 V N 1.703 121.682 119.914 0.108 0.000 2.421 268 V HA -0.011 4.109 4.120 -0.001 0.000 0.271 268 V C 1.063 177.348 176.094 0.318 0.000 1.031 268 V CA 0.271 62.644 62.300 0.122 0.000 1.032 268 V CB 0.728 32.516 31.823 -0.059 0.000 1.009 268 V HN 0.244 nan 8.190 nan 0.000 0.477 269 K N 2.581 123.215 120.400 0.389 0.000 2.348 269 K HA 0.200 4.519 4.320 -0.001 0.000 0.194 269 K C 0.635 177.543 176.600 0.513 0.000 1.052 269 K CA 0.468 57.032 56.287 0.461 0.000 1.004 269 K CB 0.734 33.540 32.500 0.510 0.000 0.873 269 K HN 0.779 nan 8.250 nan 0.000 0.523 270 S N -0.167 115.809 115.700 0.460 0.000 2.547 270 S HA 0.665 5.135 4.470 -0.001 0.000 0.270 270 S C -0.685 173.867 174.600 -0.080 0.000 1.150 270 S CA -0.997 57.342 58.200 0.232 0.000 0.850 270 S CB 1.641 64.816 63.200 -0.042 0.000 1.118 270 S HN 0.020 nan 8.310 nan 0.000 0.461 271 I N 2.481 122.934 120.570 -0.195 0.000 2.619 271 I HA 0.466 4.636 4.170 -0.001 0.000 0.292 271 I C -0.794 175.237 176.117 -0.143 0.000 1.100 271 I CA -0.783 60.274 61.300 -0.406 0.000 1.043 271 I CB 2.236 39.906 38.000 -0.551 0.000 1.239 271 I HN 0.885 nan 8.210 nan 0.000 0.420 272 N N 5.560 124.198 118.700 -0.104 0.000 2.319 272 N HA 0.714 5.454 4.740 -0.001 0.000 0.305 272 N C -1.711 173.837 175.510 0.062 0.000 1.103 272 N CA -0.559 52.526 53.050 0.058 0.000 0.815 272 N CB 3.307 41.871 38.487 0.128 0.000 1.288 272 N HN 0.419 nan 8.380 nan 0.000 0.493 273 V N 0.298 120.309 119.914 0.161 0.000 2.969 273 V HA 0.397 4.517 4.120 -0.001 0.000 0.304 273 V C -1.102 175.149 176.094 0.262 0.000 1.192 273 V CA -0.526 61.896 62.300 0.203 0.000 0.962 273 V CB 2.332 34.301 31.823 0.244 0.000 1.045 273 V HN 0.852 nan 8.190 nan 0.000 0.428 274 S N 4.154 119.994 115.700 0.232 0.000 2.422 274 S HA 0.412 4.882 4.470 -0.001 0.000 0.298 274 S C 1.108 175.848 174.600 0.233 0.000 1.118 274 S CA 0.208 58.443 58.200 0.058 0.000 1.083 274 S CB 1.388 64.562 63.200 -0.044 0.000 0.971 274 S HN 1.183 nan 8.310 nan 0.000 0.478 275 G N 2.379 111.302 108.800 0.204 0.000 2.422 275 G HA2 -0.115 3.844 3.960 -0.001 0.000 0.218 275 G HA3 -0.115 3.844 3.960 -0.001 0.000 0.218 275 G C 0.608 175.563 174.900 0.092 0.000 1.140 275 G CA 0.468 45.736 45.100 0.280 0.000 0.775 275 G HN 0.855 nan 8.290 nan 0.000 0.545 279 G N 0.308 109.064 108.800 -0.072 0.000 2.744 279 G HA2 0.114 4.073 3.960 -0.001 0.000 0.211 279 G HA3 0.114 4.073 3.960 -0.001 0.000 0.211 279 G C 0.841 175.614 174.900 -0.212 0.000 1.143 279 G CA 0.666 45.303 45.100 -0.772 0.000 0.788 279 G HN 0.366 nan 8.290 nan 0.000 0.534 280 L N -1.232 119.947 121.223 -0.074 0.000 3.730 280 L HA -0.153 4.187 4.340 -0.001 0.000 0.410 280 L C -0.561 176.243 176.870 -0.110 0.000 1.234 280 L CA -0.407 54.380 54.840 -0.089 0.000 0.911 280 L CB -2.325 39.630 42.059 -0.174 0.000 1.942 280 L HN 0.035 nan 8.230 nan 0.000 0.860 281 V N -1.434 118.444 119.914 -0.061 0.000 2.864 281 V HA 0.503 4.623 4.120 -0.001 0.000 0.314 281 V C 0.299 176.377 176.094 -0.026 0.000 1.073 281 V CA -0.877 61.379 62.300 -0.074 0.000 0.956 281 V CB 1.907 33.763 31.823 0.055 0.000 1.023 281 V HN 0.033 nan 8.190 nan 0.000 0.435 282 Y N 1.240 121.565 120.300 0.041 0.000 2.511 282 Y HA 0.354 4.903 4.550 -0.001 0.000 0.347 282 Y C 1.129 177.067 175.900 0.063 0.000 1.257 282 Y CA 0.414 58.530 58.100 0.026 0.000 1.469 282 Y CB 0.158 38.607 38.460 -0.019 0.000 1.353 282 Y HN 0.788 nan 8.280 nan 0.000 0.617 283 A N 1.102 124.029 122.820 0.178 0.000 2.565 283 A HA 0.393 4.713 4.320 -0.001 0.000 0.237 283 A C 1.170 178.805 177.584 0.084 0.000 1.053 283 A CA 0.827 52.849 52.037 -0.026 0.000 0.755 283 A CB -1.002 17.898 19.000 -0.167 0.000 0.980 283 A HN 1.518 nan 8.150 nan 0.000 0.506 284 G N 0.323 109.266 108.800 0.238 0.000 2.161 284 G HA2 0.199 4.159 3.960 -0.001 0.000 0.140 284 G HA3 0.199 4.159 3.960 -0.001 0.000 0.140 284 G C -0.445 174.517 174.900 0.105 0.000 1.040 284 G CA 0.114 45.305 45.100 0.152 0.000 0.735 284 G HN 1.665 nan 8.290 nan 0.000 0.496 285 I N 0.605 121.276 120.570 0.168 0.000 2.610 285 I HA 0.781 4.950 4.170 -0.001 0.000 0.289 285 I C -0.046 175.818 176.117 -0.422 0.000 1.163 285 I CA 0.014 61.201 61.300 -0.188 0.000 1.044 285 I CB 1.719 39.649 38.000 -0.116 0.000 1.251 285 I HN 0.558 nan 8.210 nan 0.000 0.424 286 G N 4.695 113.147 108.800 -0.580 0.000 2.733 286 G HA2 0.739 4.699 3.960 -0.001 0.000 0.288 286 G HA3 0.739 4.699 3.960 -0.001 0.000 0.288 286 G C -2.374 172.092 174.900 -0.724 0.000 1.373 286 G CA -0.625 44.187 45.100 -0.481 0.000 0.895 286 G HN 0.517 nan 8.290 nan 0.000 0.479 287 W N -1.076 120.229 121.300 0.007 0.000 3.127 287 W HA 0.595 5.255 4.660 -0.001 0.000 0.330 287 W C -0.954 175.559 176.519 -0.010 0.000 1.187 287 W CA -0.892 56.467 57.345 0.024 0.000 1.198 287 W CB 2.454 31.956 29.460 0.070 0.000 1.408 287 W HN 0.424 nan 8.180 nan 0.000 0.529 288 V N 5.283 125.312 119.914 0.192 0.000 2.623 288 V HA 0.626 4.746 4.120 -0.001 0.000 0.304 288 V C -1.284 174.725 176.094 -0.141 0.000 1.054 288 V CA -0.831 61.427 62.300 -0.070 0.000 0.882 288 V CB 1.069 32.704 31.823 -0.313 0.000 1.002 288 V HN 0.427 nan 8.190 nan 0.000 0.424 289 I N 6.124 126.628 120.570 -0.110 0.000 2.493 289 I HA 0.525 4.694 4.170 -0.001 0.000 0.298 289 I C -0.489 175.610 176.117 -0.030 0.000 0.998 289 I CA -0.623 60.719 61.300 0.071 0.000 1.137 289 I CB 1.885 40.098 38.000 0.354 0.000 1.310 289 I HN 0.595 nan 8.210 nan 0.000 0.445 290 W N 4.597 126.005 121.300 0.179 0.000 2.606 290 W HA 0.405 5.065 4.660 0.000 0.000 0.332 290 W C 1.361 177.747 176.519 -0.221 0.000 1.052 290 W CA -0.621 56.766 57.345 0.070 0.000 1.223 290 W CB 2.032 31.499 29.460 0.011 0.000 1.383 290 W HN 0.675 nan 8.180 nan 0.000 0.524 291 R N 1.333 121.751 120.500 -0.137 0.000 2.080 291 R HA -0.140 4.199 4.340 -0.001 0.000 0.236 291 R C 0.241 176.360 176.300 -0.302 0.000 1.137 291 R CA 1.494 57.226 56.100 -0.612 0.000 0.943 291 R CB 0.066 30.218 30.300 -0.246 0.000 0.846 291 R HN 0.420 nan 8.270 nan 0.000 0.431 292 N N -1.460 117.188 118.700 -0.086 0.000 2.647 292 N HA 0.059 4.799 4.740 -0.001 0.000 0.266 292 N C -0.612 174.875 175.510 -0.038 0.000 1.373 292 N CA -0.525 52.484 53.050 -0.067 0.000 0.807 292 N CB 1.612 40.064 38.487 -0.057 0.000 1.513 292 N HN -0.085 nan 8.380 nan 0.000 0.505 293 K N 0.929 121.294 120.400 -0.058 0.000 2.152 293 K HA -0.157 4.162 4.320 -0.001 0.000 0.206 293 K C 1.370 177.897 176.600 -0.122 0.000 1.048 293 K CA 1.605 57.838 56.287 -0.090 0.000 0.933 293 K CB 0.130 32.587 32.500 -0.073 0.000 0.721 293 K HN 0.601 nan 8.250 nan 0.000 0.447 294 E N -0.104 120.048 120.200 -0.080 0.000 2.268 294 E HA -0.185 4.165 4.350 -0.001 0.000 0.195 294 E C 0.749 177.298 176.600 -0.085 0.000 0.995 294 E CA 1.193 57.550 56.400 -0.072 0.000 0.836 294 E CB -0.001 29.681 29.700 -0.031 0.000 0.763 294 E HN 0.300 nan 8.360 nan 0.000 0.491 295 D N 0.600 120.949 120.400 -0.085 0.000 2.355 295 D HA 0.047 4.687 4.640 -0.001 0.000 0.218 295 D C 0.267 176.362 176.300 -0.342 0.000 1.004 295 D CA 0.416 54.374 54.000 -0.070 0.000 0.880 295 D CB 0.471 41.348 40.800 0.129 0.000 0.911 295 D HN 0.223 nan 8.370 nan 0.000 0.528 296 L N 2.289 123.203 121.223 -0.516 0.000 2.337 296 L HA 0.297 4.636 4.340 -0.001 0.000 0.269 296 L C -2.564 173.999 176.870 -0.512 0.000 1.018 296 L CA -1.764 52.593 54.840 -0.804 0.000 0.876 296 L CB 1.772 43.140 42.059 -1.152 0.000 1.236 296 L HN -0.370 nan 8.230 nan 0.000 0.436 297 P HA -0.071 nan 4.420 nan 0.000 0.260 297 P C 0.390 177.503 177.300 -0.311 0.000 1.172 297 P CA 0.305 63.246 63.100 -0.265 0.000 0.760 297 P CB 0.764 32.353 31.700 -0.186 0.000 0.773 298 E N 4.190 124.255 120.200 -0.226 0.000 2.204 298 E HA -0.232 4.117 4.350 -0.001 0.000 0.195 298 E C 1.400 177.879 176.600 -0.202 0.000 0.990 298 E CA 1.342 57.621 56.400 -0.201 0.000 0.821 298 E CB -0.277 29.348 29.700 -0.126 0.000 0.750 298 E HN 0.498 nan 8.360 nan 0.000 0.477 299 E N 0.354 120.441 120.200 -0.187 0.000 2.482 299 E HA -0.130 4.220 4.350 -0.001 0.000 0.196 299 E C 1.678 178.133 176.600 -0.241 0.000 1.047 299 E CA 0.429 56.717 56.400 -0.188 0.000 0.869 299 E CB -0.229 29.396 29.700 -0.125 0.000 0.836 299 E HN 0.404 nan 8.360 nan 0.000 0.520 300 L N 0.673 121.732 121.223 -0.272 0.000 2.418 300 L HA 0.221 4.561 4.340 -0.001 0.000 0.218 300 L C 1.263 178.010 176.870 -0.205 0.000 1.125 300 L CA 0.152 54.851 54.840 -0.236 0.000 0.835 300 L CB 0.007 41.790 42.059 -0.460 0.000 0.953 300 L HN 0.022 nan 8.230 nan 0.000 0.454 301 I N -0.401 119.982 120.570 -0.312 0.000 2.396 301 I HA 0.157 4.326 4.170 -0.001 0.000 0.292 301 I C -0.460 175.479 176.117 -0.296 0.000 0.999 301 I CA -0.249 60.930 61.300 -0.203 0.000 1.310 301 I CB 0.966 38.819 38.000 -0.244 0.000 1.404 301 I HN -0.170 nan 8.210 nan 0.000 0.496 302 F N 3.897 123.759 119.950 -0.146 0.000 2.483 302 F HA 0.463 4.989 4.527 -0.001 0.000 0.329 302 F C 0.348 175.935 175.800 -0.356 0.000 1.064 302 F CA -0.459 57.478 58.000 -0.106 0.000 0.986 302 F CB 1.174 40.198 39.000 0.041 0.000 1.218 302 F HN 0.344 nan 8.300 nan 0.000 0.484 303 H N 3.688 122.910 119.070 0.254 0.000 2.991 303 H HA 0.431 4.987 4.556 0.000 0.000 0.304 303 H C -0.730 174.706 175.328 0.180 0.000 1.040 303 H CA -0.394 55.756 56.048 0.170 0.000 1.410 303 H CB 1.138 30.954 29.762 0.089 0.000 1.529 303 H HN 0.397 nan 8.280 nan 0.000 0.509 304 I N 2.071 122.797 120.570 0.259 0.000 2.918 304 I HA 0.182 4.351 4.170 -0.001 0.000 0.316 304 I C 0.945 177.162 176.117 0.166 0.000 1.001 304 I CA -0.671 60.768 61.300 0.231 0.000 1.142 304 I CB 0.930 39.082 38.000 0.253 0.000 1.356 304 I HN 0.522 nan 8.210 nan 0.000 0.524 305 N N 1.513 120.311 118.700 0.163 0.000 2.261 305 N HA -0.077 4.663 4.740 -0.001 0.000 0.241 305 N C 0.023 175.597 175.510 0.107 0.000 1.374 305 N CA -0.483 52.626 53.050 0.098 0.000 0.802 305 N CB -0.604 37.938 38.487 0.091 0.000 1.339 305 N HN 0.766 nan 8.380 nan 0.000 0.498 306 Y N -0.513 119.823 120.300 0.059 0.000 2.466 306 Y HA 0.533 5.082 4.550 -0.001 0.000 0.272 306 Y C 0.598 176.522 175.900 0.040 0.000 1.169 306 Y CA -0.253 57.874 58.100 0.044 0.000 1.285 306 Y CB 0.216 38.700 38.460 0.040 0.000 1.078 306 Y HN 0.034 nan 8.280 nan 0.000 0.523 307 L N -0.375 120.624 121.223 -0.372 0.000 2.701 307 L HA 0.521 4.861 4.340 -0.001 0.000 0.238 307 L C 1.582 178.349 176.870 -0.170 0.000 1.106 307 L CA 0.710 55.346 54.840 -0.339 0.000 0.898 307 L CB 0.859 42.652 42.059 -0.444 0.000 1.188 307 L HN 0.527 nan 8.230 nan 0.000 0.508 308 G N -0.488 108.248 108.800 -0.107 0.000 4.205 308 G HA2 0.251 4.211 3.960 -0.001 0.000 0.200 308 G HA3 0.251 4.211 3.960 -0.001 0.000 0.200 308 G C -0.122 174.754 174.900 -0.040 0.000 1.190 308 G CA 0.274 45.332 45.100 -0.071 0.000 0.861 308 G HN 0.309 nan 8.290 nan 0.000 0.326 309 A N -0.362 122.435 122.820 -0.038 0.000 2.529 309 A HA 0.694 5.013 4.320 -0.001 0.000 0.296 309 A C -2.070 175.526 177.584 0.019 0.000 1.205 309 A CA -0.233 51.800 52.037 -0.006 0.000 0.671 309 A CB 0.563 19.556 19.000 -0.012 0.000 1.301 309 A HN 0.119 nan 8.150 nan 0.000 0.450 310 D N 1.433 121.861 120.400 0.046 0.000 2.304 310 D HA 0.489 5.128 4.640 -0.001 0.000 0.250 310 D C -0.300 176.065 176.300 0.108 0.000 1.107 310 D CA 0.555 54.614 54.000 0.097 0.000 0.885 310 D CB 0.796 41.659 40.800 0.105 0.000 1.192 310 D HN 0.497 nan 8.370 nan 0.000 0.436 311 Q N 1.006 120.888 119.800 0.137 0.000 2.305 311 Q HA 0.506 4.845 4.340 -0.001 0.000 0.271 311 Q C -2.870 173.180 176.000 0.083 0.000 1.046 311 Q CA -2.268 53.597 55.803 0.102 0.000 0.798 311 Q CB 2.335 31.099 28.738 0.043 0.000 1.286 311 Q HN 0.063 nan 8.270 nan 0.000 0.435 312 P HA 0.051 nan 4.420 nan 0.000 0.256 312 P C -0.645 176.665 177.300 0.016 0.000 1.689 312 P CA 0.136 63.183 63.100 -0.088 0.000 1.124 312 P CB 0.137 31.855 31.700 0.029 0.000 1.766 313 T N -0.071 114.516 114.554 0.055 0.000 2.829 313 T HA 0.585 4.935 4.350 -0.001 0.000 0.282 313 T C -0.844 174.043 174.700 0.312 0.000 0.990 313 T CA -0.723 61.490 62.100 0.188 0.000 1.028 313 T CB 0.517 69.509 68.868 0.207 0.000 0.951 313 T HN 0.025 nan 8.240 nan 0.000 0.460 314 F N 4.079 124.106 119.950 0.128 0.000 2.809 314 F HA 0.497 5.023 4.527 -0.001 0.000 0.369 314 F C -0.531 175.363 175.800 0.156 0.000 1.225 314 F CA -0.567 57.518 58.000 0.141 0.000 1.201 314 F CB 0.547 39.595 39.000 0.081 0.000 1.527 314 F HN 1.019 nan 8.300 nan 0.000 0.565 315 T N 1.043 115.578 114.554 -0.031 0.000 2.868 315 T HA 0.433 4.782 4.350 -0.001 0.000 0.306 315 T C 0.525 175.195 174.700 -0.049 0.000 1.224 315 T CA -0.807 61.221 62.100 -0.119 0.000 1.012 315 T CB 1.736 70.600 68.868 -0.007 0.000 1.221 315 T HN 0.265 nan 8.240 nan 0.000 0.499 316 L N 0.191 121.383 121.223 -0.051 0.000 2.446 316 L HA 0.233 4.573 4.340 -0.001 0.000 0.219 316 L C 0.874 177.768 176.870 0.040 0.000 1.116 316 L CA 0.235 55.085 54.840 0.016 0.000 0.844 316 L CB -0.288 41.797 42.059 0.044 0.000 0.970 316 L HN 0.579 nan 8.230 nan 0.000 0.457 317 N N -1.113 117.615 118.700 0.047 0.000 2.485 317 N HA 0.261 5.001 4.740 -0.001 0.000 0.280 317 N C -0.142 175.485 175.510 0.195 0.000 1.205 317 N CA -0.375 52.729 53.050 0.089 0.000 0.959 317 N CB 2.139 40.651 38.487 0.043 0.000 1.206 317 N HN -0.166 nan 8.380 nan 0.000 0.545 318 F N 0.235 120.198 119.950 0.023 0.000 2.007 318 F HA 0.310 4.837 4.527 -0.001 0.000 0.214 318 F C 0.554 176.398 175.800 0.074 0.000 1.245 318 F CA -0.056 57.972 58.000 0.047 0.000 1.293 318 F CB -0.397 38.626 39.000 0.039 0.000 1.849 318 F HN 0.204 nan 8.300 nan 0.000 0.222 319 S N 1.932 117.681 115.700 0.081 0.000 2.549 319 S HA 0.429 4.898 4.470 -0.001 0.000 0.283 319 S C -0.853 173.769 174.600 0.037 0.000 1.320 319 S CA -0.189 58.005 58.200 -0.010 0.000 1.058 319 S CB -0.165 63.097 63.200 0.103 0.000 0.882 319 S HN 0.436 nan 8.310 nan 0.000 0.498 320 K N 0.283 120.700 120.400 0.029 0.000 2.685 320 K HA 0.546 4.866 4.320 -0.001 0.000 0.290 320 K C -0.248 176.377 176.600 0.041 0.000 1.018 320 K CA -1.168 55.135 56.287 0.027 0.000 0.860 320 K CB 0.235 32.735 32.500 -0.001 0.000 1.498 320 K HN 0.546 nan 8.250 nan 0.000 0.390 321 G N 0.030 108.840 108.800 0.016 0.000 2.491 321 G HA2 0.256 4.216 3.960 -0.001 0.000 0.238 321 G HA3 0.256 4.216 3.960 -0.001 0.000 0.238 321 G C 0.479 175.395 174.900 0.025 0.000 1.277 321 G CA -0.099 45.010 45.100 0.015 0.000 0.851 321 G HN 0.757 nan 8.290 nan 0.000 0.573 322 S N -0.922 114.808 115.700 0.050 0.000 2.539 322 S HA 0.038 4.507 4.470 -0.001 0.000 0.221 322 S C 2.027 176.655 174.600 0.047 0.000 0.987 322 S CA 0.563 58.818 58.200 0.092 0.000 0.929 322 S CB 0.272 63.594 63.200 0.204 0.000 0.832 322 S HN 0.739 nan 8.310 nan 0.000 0.492 323 S N 2.165 117.876 115.700 0.019 0.000 2.368 323 S HA -0.179 4.291 4.470 -0.001 0.000 0.224 323 S C 1.823 176.452 174.600 0.050 0.000 1.029 323 S CA 0.989 59.203 58.200 0.023 0.000 0.988 323 S CB -0.606 62.598 63.200 0.007 0.000 0.838 323 S HN 0.491 nan 8.310 nan 0.000 0.462 324 Q N 1.059 120.884 119.800 0.042 0.000 2.119 324 Q HA 0.097 4.437 4.340 -0.001 0.000 0.201 324 Q C 2.339 178.395 176.000 0.094 0.000 0.972 324 Q CA 1.201 57.043 55.803 0.065 0.000 0.847 324 Q CB -0.678 28.083 28.738 0.039 0.000 0.903 324 Q HN 0.455 nan 8.270 nan 0.000 0.433 325 V N 0.525 120.472 119.914 0.055 0.000 2.261 325 V HA -0.272 3.848 4.120 -0.001 0.000 0.246 325 V C 2.015 178.252 176.094 0.238 0.000 1.047 325 V CA 1.763 64.149 62.300 0.143 0.000 1.015 325 V CB -0.467 31.385 31.823 0.048 0.000 0.642 325 V HN 0.365 nan 8.190 nan 0.000 0.446 326 I N 0.364 121.040 120.570 0.176 0.000 2.208 326 I HA -0.261 3.908 4.170 -0.001 0.000 0.245 326 I C 2.648 178.906 176.117 0.235 0.000 1.097 326 I CA 1.539 62.956 61.300 0.194 0.000 1.363 326 I CB -0.617 37.453 38.000 0.115 0.000 1.051 326 I HN 0.294 nan 8.210 nan 0.000 0.413 327 A N 0.114 123.033 122.820 0.166 0.000 1.908 327 A HA -0.307 4.013 4.320 -0.001 0.000 0.218 327 A C 2.242 179.960 177.584 0.223 0.000 1.181 327 A CA 2.091 54.214 52.037 0.143 0.000 0.627 327 A CB -0.644 18.401 19.000 0.074 0.000 0.818 327 A HN 0.438 nan 8.150 nan 0.000 0.445 328 Q N -1.436 118.517 119.800 0.256 0.000 2.050 328 Q HA -0.211 4.128 4.340 -0.001 0.000 0.202 328 Q C 1.868 178.029 176.000 0.269 0.000 0.980 328 Q CA 2.284 58.259 55.803 0.287 0.000 0.840 328 Q CB -0.632 28.387 28.738 0.468 0.000 0.898 328 Q HN 0.702 nan 8.270 nan 0.000 0.424 329 Y N -0.358 120.053 120.300 0.185 0.000 2.181 329 Y HA -0.283 4.267 4.550 0.000 0.000 0.288 329 Y C 2.037 178.011 175.900 0.122 0.000 1.146 329 Y CA 1.942 60.119 58.100 0.128 0.000 1.164 329 Y CB -0.621 37.918 38.460 0.132 0.000 0.982 329 Y HN 0.366 nan 8.280 nan 0.000 0.515 330 Y N 0.760 121.114 120.300 0.091 0.000 2.070 330 Y HA -0.343 4.206 4.550 -0.001 0.000 0.280 330 Y C 2.473 178.332 175.900 -0.069 0.000 1.148 330 Y CA 2.381 60.475 58.100 -0.009 0.000 1.125 330 Y CB -0.620 37.856 38.460 0.027 0.000 0.975 330 Y HN 0.118 nan 8.280 nan 0.000 0.492 331 Q N 0.442 120.289 119.800 0.079 0.000 2.112 331 Q HA -0.212 4.128 4.340 -0.001 0.000 0.206 331 Q C 2.471 178.448 176.000 -0.037 0.000 0.987 331 Q CA 2.052 57.840 55.803 -0.026 0.000 0.858 331 Q CB -0.688 28.099 28.738 0.081 0.000 0.905 331 Q HN 0.600 nan 8.270 nan 0.000 0.420 332 L N 0.176 121.380 121.223 -0.031 0.000 1.994 332 L HA -0.208 4.132 4.340 -0.001 0.000 0.208 332 L C 2.392 179.150 176.870 -0.186 0.000 1.071 332 L CA 1.296 56.095 54.840 -0.068 0.000 0.745 332 L CB -0.678 41.296 42.059 -0.143 0.000 0.892 332 L HN 0.277 nan 8.230 nan 0.000 0.431 333 I N -3.303 117.046 120.570 -0.368 0.000 2.876 333 I HA -0.080 4.090 4.170 -0.001 0.000 0.264 333 I C 2.537 178.481 176.117 -0.288 0.000 1.204 333 I CA 1.108 62.201 61.300 -0.346 0.000 1.485 333 I CB -0.524 37.190 38.000 -0.476 0.000 1.103 333 I HN 0.086 nan 8.210 nan 0.000 0.446 334 R N 1.542 121.807 120.500 -0.392 0.000 2.080 334 R HA 0.130 4.470 4.340 -0.001 0.000 0.222 334 R C 1.962 178.112 176.300 -0.251 0.000 1.107 334 R CA 1.477 57.328 56.100 -0.415 0.000 0.980 334 R CB -0.330 29.464 30.300 -0.844 0.000 0.879 334 R HN 0.477 nan 8.270 nan 0.000 0.439 335 L N -0.269 120.831 121.223 -0.205 0.000 2.145 335 L HA 0.171 4.511 4.340 -0.001 0.000 0.201 335 L C 1.332 178.178 176.870 -0.039 0.000 1.075 335 L CA 0.679 55.437 54.840 -0.136 0.000 0.773 335 L CB -0.702 41.214 42.059 -0.239 0.000 0.936 335 L HN 0.444 nan 8.230 nan 0.000 0.451 336 G N -0.670 108.136 108.800 0.009 0.000 2.752 336 G HA2 -0.302 3.658 3.960 -0.001 0.000 0.234 336 G HA3 -0.302 3.658 3.960 -0.001 0.000 0.234 336 G C 0.433 175.370 174.900 0.061 0.000 1.367 336 G CA 0.217 45.332 45.100 0.025 0.000 0.879 336 G HN 0.303 nan 8.290 nan 0.000 0.563 337 H N 0.319 119.448 119.070 0.098 0.000 2.319 337 H HA -0.123 4.432 4.556 -0.001 0.000 0.297 337 H C 2.466 177.826 175.328 0.053 0.000 1.097 337 H CA 2.146 58.289 56.048 0.158 0.000 1.285 337 H CB -0.069 29.816 29.762 0.204 0.000 1.368 337 H HN 0.717 nan 8.280 nan 0.000 0.495 338 E N 0.350 120.647 120.200 0.160 0.000 2.049 338 E HA -0.154 4.196 4.350 -0.001 0.000 0.198 338 E C 2.537 179.137 176.600 -0.000 0.000 1.007 338 E CA 1.195 57.639 56.400 0.072 0.000 0.809 338 E CB -0.282 29.445 29.700 0.045 0.000 0.749 338 E HN 0.458 nan 8.360 nan 0.000 0.450 339 G N -0.484 108.293 108.800 -0.038 0.000 2.421 339 G HA2 -0.277 3.682 3.960 -0.001 0.000 0.216 339 G HA3 -0.277 3.682 3.960 -0.001 0.000 0.216 339 G C 1.244 176.017 174.900 -0.212 0.000 1.171 339 G CA 1.060 46.088 45.100 -0.121 0.000 0.775 339 G HN 0.328 nan 8.290 nan 0.000 0.543 340 Y N 0.355 120.435 120.300 -0.366 0.000 2.224 340 Y HA -0.056 4.494 4.550 -0.001 0.000 0.289 340 Y C 3.007 178.646 175.900 -0.435 0.000 1.146 340 Y CA 1.655 59.401 58.100 -0.590 0.000 1.182 340 Y CB -0.116 37.501 38.460 -1.405 0.000 0.983 340 Y HN 0.051 nan 8.280 nan 0.000 0.524 341 R N 0.384 120.793 120.500 -0.153 0.000 2.073 341 R HA -0.184 4.156 4.340 -0.001 0.000 0.234 341 R C 1.828 178.131 176.300 0.006 0.000 1.134 341 R CA 1.667 57.785 56.100 0.031 0.000 0.952 341 R CB -0.220 30.148 30.300 0.114 0.000 0.850 341 R HN 0.344 nan 8.270 nan 0.000 0.433 342 N N 0.156 118.840 118.700 -0.026 0.000 2.104 342 N HA -0.144 4.596 4.740 -0.001 0.000 0.190 342 N C 1.826 177.317 175.510 -0.031 0.000 1.024 342 N CA 1.320 54.354 53.050 -0.027 0.000 0.853 342 N CB -0.383 38.081 38.487 -0.039 0.000 1.008 342 N HN 0.055 nan 8.380 nan 0.000 0.424 343 V N 1.481 121.358 119.914 -0.062 0.000 2.343 343 V HA -0.185 3.935 4.120 -0.001 0.000 0.247 343 V C 2.326 178.440 176.094 0.033 0.000 1.051 343 V CA 1.222 63.498 62.300 -0.039 0.000 1.036 343 V CB -0.354 31.407 31.823 -0.103 0.000 0.654 343 V HN 0.238 nan 8.190 nan 0.000 0.451 344 M N -0.496 119.136 119.600 0.053 0.000 2.175 344 M HA -0.124 4.356 4.480 -0.001 0.000 0.264 344 M C 2.116 178.445 176.300 0.048 0.000 1.063 344 M CA 1.447 56.800 55.300 0.089 0.000 1.119 344 M CB -1.288 31.387 32.600 0.125 0.000 1.377 344 M HN 0.433 nan 8.290 nan 0.000 0.415 345 E N 0.282 120.498 120.200 0.026 0.000 2.077 345 E HA -0.188 4.162 4.350 -0.001 0.000 0.193 345 E C 1.841 178.453 176.600 0.020 0.000 0.989 345 E CA 0.997 57.405 56.400 0.013 0.000 0.800 345 E CB -0.152 29.553 29.700 0.007 0.000 0.746 345 E HN 0.479 nan 8.360 nan 0.000 0.452 346 N N 0.442 119.154 118.700 0.021 0.000 2.120 346 N HA -0.134 4.605 4.740 -0.001 0.000 0.188 346 N C 1.803 177.345 175.510 0.053 0.000 1.024 346 N CA 0.935 53.999 53.050 0.022 0.000 0.852 346 N CB -0.582 37.908 38.487 0.005 0.000 1.003 346 N HN 0.199 nan 8.380 nan 0.000 0.424 347 C N 0.501 119.849 119.300 0.080 0.000 2.446 347 C HA -0.001 4.459 4.460 -0.001 0.000 0.277 347 C C 2.738 177.780 174.990 0.086 0.000 1.275 347 C CA 0.212 59.301 59.018 0.119 0.000 1.727 347 C CB -0.823 27.026 27.740 0.182 0.000 2.010 347 C HN 0.480 nan 8.230 nan 0.000 0.486 348 R N 1.020 121.554 120.500 0.057 0.000 2.081 348 R HA -0.165 4.175 4.340 -0.001 0.000 0.235 348 R C 2.106 178.426 176.300 0.033 0.000 1.131 348 R CA 1.879 58.003 56.100 0.040 0.000 0.960 348 R CB -0.330 29.988 30.300 0.030 0.000 0.856 348 R HN 0.446 nan 8.270 nan 0.000 0.436 349 E N 0.821 121.039 120.200 0.031 0.000 2.058 349 E HA -0.179 4.170 4.350 -0.001 0.000 0.194 349 E C 1.593 178.209 176.600 0.027 0.000 0.997 349 E CA 1.712 58.125 56.400 0.022 0.000 0.801 349 E CB -0.196 29.512 29.700 0.014 0.000 0.746 349 E HN 0.326 nan 8.360 nan 0.000 0.450 350 N N -0.172 118.560 118.700 0.054 0.000 2.223 350 N HA -0.152 4.588 4.740 -0.001 0.000 0.185 350 N C 1.760 177.313 175.510 0.073 0.000 1.016 350 N CA 1.191 54.294 53.050 0.088 0.000 0.863 350 N CB -0.309 38.290 38.487 0.187 0.000 0.983 350 N HN 0.350 nan 8.380 nan 0.000 0.429 351 M N 0.471 120.097 119.600 0.043 0.000 2.086 351 M HA -0.103 4.376 4.480 -0.001 0.000 0.261 351 M C 1.770 178.058 176.300 -0.019 0.000 1.067 351 M CA 1.366 56.666 55.300 0.001 0.000 1.116 351 M CB -0.051 32.548 32.600 -0.002 0.000 1.348 351 M HN -0.007 nan 8.290 nan 0.000 0.407 352 I N -0.237 120.327 120.570 -0.009 0.000 2.179 352 I HA -0.280 3.890 4.170 -0.001 0.000 0.242 352 I C 2.301 178.399 176.117 -0.031 0.000 1.088 352 I CA 1.128 62.416 61.300 -0.020 0.000 1.357 352 I CB -0.571 37.423 38.000 -0.009 0.000 1.051 352 I HN 0.163 nan 8.210 nan 0.000 0.409 353 V N 0.854 120.756 119.914 -0.020 0.000 2.332 353 V HA -0.281 3.838 4.120 -0.001 0.000 0.248 353 V C 2.385 178.447 176.094 -0.053 0.000 1.055 353 V CA 1.873 64.155 62.300 -0.030 0.000 1.038 353 V CB -0.570 31.243 31.823 -0.017 0.000 0.651 353 V HN 0.388 nan 8.190 nan 0.000 0.450 354 L N 0.178 121.368 121.223 -0.054 0.000 2.109 354 L HA -0.068 4.272 4.340 -0.001 0.000 0.207 354 L C 2.510 179.277 176.870 -0.171 0.000 1.086 354 L CA 1.881 56.654 54.840 -0.111 0.000 0.760 354 L CB -0.856 41.143 42.059 -0.100 0.000 0.910 354 L HN 0.193 nan 8.230 nan 0.000 0.437 355 R N -0.133 120.287 120.500 -0.134 0.000 2.080 355 R HA -0.195 4.145 4.340 -0.001 0.000 0.236 355 R C 2.107 178.331 176.300 -0.127 0.000 1.137 355 R CA 2.086 58.099 56.100 -0.144 0.000 0.943 355 R CB -0.301 29.946 30.300 -0.088 0.000 0.846 355 R HN 0.544 nan 8.270 nan 0.000 0.431 356 E N -0.820 119.327 120.200 -0.088 0.000 2.038 356 E HA -0.162 4.188 4.350 -0.001 0.000 0.195 356 E C 1.952 178.506 176.600 -0.077 0.000 1.000 356 E CA 1.222 57.581 56.400 -0.068 0.000 0.803 356 E CB -0.379 29.292 29.700 -0.049 0.000 0.750 356 E HN 0.606 nan 8.360 nan 0.000 0.448 357 G N 1.218 109.962 108.800 -0.094 0.000 2.475 357 G HA2 -0.253 3.707 3.960 -0.001 0.000 0.220 357 G HA3 -0.253 3.707 3.960 -0.001 0.000 0.220 357 G C 1.541 176.379 174.900 -0.103 0.000 1.125 357 G CA 0.703 45.745 45.100 -0.096 0.000 0.755 357 G HN 0.097 nan 8.290 nan 0.000 0.565 358 L N -0.407 120.717 121.223 -0.165 0.000 2.209 358 L HA 0.097 4.437 4.340 -0.001 0.000 0.207 358 L C 2.755 179.624 176.870 -0.002 0.000 1.094 358 L CA 0.657 55.401 54.840 -0.160 0.000 0.790 358 L CB -0.286 41.455 42.059 -0.529 0.000 0.932 358 L HN 0.251 nan 8.230 nan 0.000 0.447 359 E N 0.462 120.636 120.200 -0.044 0.000 2.106 359 E HA -0.242 4.108 4.350 -0.001 0.000 0.192 359 E C 2.023 178.618 176.600 -0.009 0.000 0.984 359 E CA 0.829 57.222 56.400 -0.011 0.000 0.806 359 E CB 0.049 29.733 29.700 -0.026 0.000 0.750 359 E HN 0.288 nan 8.360 nan 0.000 0.458 360 K N 0.807 121.194 120.400 -0.021 0.000 2.209 360 K HA -0.128 4.192 4.320 -0.001 0.000 0.204 360 K C 2.067 178.655 176.600 -0.020 0.000 1.048 360 K CA 1.644 57.918 56.287 -0.022 0.000 0.940 360 K CB 0.007 32.490 32.500 -0.028 0.000 0.729 360 K HN 0.164 nan 8.250 nan 0.000 0.451 361 T N -2.298 112.251 114.554 -0.009 0.000 3.067 361 T HA 0.026 4.375 4.350 -0.001 0.000 0.261 361 T C 0.252 174.909 174.700 -0.071 0.000 1.110 361 T CA 0.597 62.680 62.100 -0.029 0.000 1.113 361 T CB -0.213 68.657 68.868 0.002 0.000 0.917 361 T HN 0.393 nan 8.240 nan 0.000 0.499 362 E N 0.263 120.433 120.200 -0.049 0.000 2.660 362 E HA -0.255 4.095 4.350 -0.001 0.000 0.260 362 E C 1.023 177.539 176.600 -0.140 0.000 1.122 362 E CA 0.580 56.942 56.400 -0.063 0.000 0.755 362 E CB -1.042 28.628 29.700 -0.050 0.000 1.345 362 E HN 0.617 nan 8.360 nan 0.000 0.421 363 R N -0.758 119.569 120.500 -0.289 0.000 2.282 363 R HA 0.213 4.552 4.340 -0.001 0.000 0.195 363 R C 0.312 176.209 176.300 -0.673 0.000 0.909 363 R CA 0.422 56.173 56.100 -0.582 0.000 1.039 363 R CB 0.487 30.214 30.300 -0.956 0.000 1.015 363 R HN -0.003 nan 8.270 nan 0.000 0.513 364 F N -0.191 119.760 119.950 0.000 0.000 2.598 364 F HA 0.389 4.916 4.527 -0.000 0.000 0.327 364 F C -0.008 175.810 175.800 0.031 0.000 1.057 364 F CA -1.364 56.661 58.000 0.042 0.000 0.957 364 F CB 1.112 40.144 39.000 0.054 0.000 1.278 364 F HN -0.277 nan 8.300 nan 0.000 0.484 365 N N 2.079 120.942 118.700 0.271 0.000 2.469 365 N HA 0.301 5.041 4.740 -0.001 0.000 0.253 365 N C -0.850 174.755 175.510 0.158 0.000 0.970 365 N CA -0.429 52.717 53.050 0.160 0.000 0.940 365 N CB 1.245 39.800 38.487 0.114 0.000 1.128 365 N HN 0.338 nan 8.380 nan 0.000 0.503 366 I N 2.389 123.025 120.570 0.109 0.000 2.578 366 I HA -0.031 4.139 4.170 -0.001 0.000 0.286 366 I C 1.466 177.612 176.117 0.049 0.000 1.126 366 I CA 0.225 61.571 61.300 0.077 0.000 1.380 366 I CB 0.209 38.223 38.000 0.024 0.000 1.408 366 I HN 0.241 nan 8.210 nan 0.000 0.532 367 V N 6.281 126.206 119.914 0.017 0.000 3.647 367 V HA 0.053 4.173 4.120 -0.001 0.000 0.279 367 V C 1.134 177.194 176.094 -0.057 0.000 1.314 367 V CA 0.379 62.656 62.300 -0.039 0.000 1.125 367 V CB 0.209 31.917 31.823 -0.191 0.000 0.907 367 V HN 0.868 nan 8.190 nan 0.000 0.434 368 S N 0.213 115.893 115.700 -0.034 0.000 2.681 368 S HA 0.624 5.094 4.470 -0.001 0.000 0.299 368 S C -0.333 174.243 174.600 -0.040 0.000 1.113 368 S CA -0.840 57.336 58.200 -0.040 0.000 1.013 368 S CB 1.871 65.050 63.200 -0.035 0.000 1.076 368 S HN 0.126 nan 8.310 nan 0.000 0.534 369 K N 0.762 121.120 120.400 -0.070 0.000 2.127 369 K HA 0.342 4.662 4.320 -0.001 0.000 0.240 369 K C 0.384 176.927 176.600 -0.096 0.000 1.024 369 K CA -0.699 55.534 56.287 -0.089 0.000 0.918 369 K CB 0.338 32.757 32.500 -0.135 0.000 1.108 369 K HN 0.610 nan 8.250 nan 0.000 0.485 370 D N 0.745 121.089 120.400 -0.093 0.000 2.123 370 D HA -0.069 4.571 4.640 -0.001 0.000 0.200 370 D C -0.049 176.196 176.300 -0.092 0.000 0.976 370 D CA 1.401 55.358 54.000 -0.073 0.000 0.831 370 D CB 0.371 41.140 40.800 -0.052 0.000 0.974 370 D HN 0.334 nan 8.370 nan 0.000 0.469 371 E N -0.349 119.745 120.200 -0.176 0.000 2.221 371 E HA 0.624 4.974 4.350 -0.001 0.000 0.268 371 E C 0.764 177.048 176.600 -0.527 0.000 0.933 371 E CA -0.664 55.570 56.400 -0.276 0.000 0.809 371 E CB 2.216 31.669 29.700 -0.411 0.000 1.190 371 E HN 0.130 nan 8.360 nan 0.000 0.406 372 G N -0.086 108.307 108.800 -0.679 0.000 2.236 372 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.231 372 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.231 372 G C -1.015 173.558 174.900 -0.546 0.000 1.334 372 G CA -0.526 43.820 45.100 -1.256 0.000 1.137 372 G HN 0.340 nan 8.290 nan 0.000 0.482 373 V N 2.734 122.452 119.914 -0.327 0.000 2.585 373 V HA 0.335 4.454 4.120 -0.001 0.000 0.296 373 V C -1.629 174.448 176.094 -0.028 0.000 1.035 373 V CA -0.164 62.114 62.300 -0.038 0.000 1.084 373 V CB 1.163 33.085 31.823 0.166 0.000 0.953 373 V HN 0.492 nan 8.190 nan 0.000 0.483 374 P HA 0.225 nan 4.420 nan 0.000 0.262 374 P C -0.853 176.479 177.300 0.053 0.000 1.455 374 P CA 0.212 63.328 63.100 0.026 0.000 1.217 374 P CB -0.156 31.582 31.700 0.064 0.000 1.625 375 L N 0.696 121.925 121.223 0.010 0.000 2.765 375 L HA 0.762 5.102 4.340 -0.001 0.000 0.263 375 L C -1.400 175.453 176.870 -0.028 0.000 1.068 375 L CA -1.174 53.651 54.840 -0.025 0.000 0.903 375 L CB 1.267 43.324 42.059 -0.003 0.000 1.512 375 L HN -0.207 nan 8.230 nan 0.000 0.404 376 V N 0.787 120.684 119.914 -0.028 0.000 2.482 376 V HA 0.896 5.015 4.120 -0.001 0.000 0.295 376 V C -0.110 176.042 176.094 0.097 0.000 1.026 376 V CA -0.077 62.237 62.300 0.024 0.000 0.856 376 V CB 1.274 33.091 31.823 -0.010 0.000 1.001 376 V HN 1.165 nan 8.190 nan 0.000 0.424 377 A N 5.930 128.783 122.820 0.055 0.000 2.303 377 A HA 1.017 5.337 4.320 -0.001 0.000 0.320 377 A C -0.901 176.689 177.584 0.009 0.000 1.192 377 A CA -0.385 51.612 52.037 -0.067 0.000 0.821 377 A CB 0.746 19.672 19.000 -0.124 0.000 1.188 377 A HN 1.088 nan 8.150 nan 0.000 0.492 378 F N -0.159 119.647 119.950 -0.240 0.000 2.631 378 F HA 0.836 5.363 4.527 -0.001 0.000 0.308 378 F C -0.257 175.443 175.800 -0.166 0.000 1.097 378 F CA -0.920 56.965 58.000 -0.193 0.000 0.952 378 F CB 1.183 40.040 39.000 -0.238 0.000 1.307 378 F HN 0.312 nan 8.300 nan 0.000 0.450 379 S N 1.341 117.090 115.700 0.082 0.000 2.648 379 S HA 0.684 5.153 4.470 -0.001 0.000 0.305 379 S C -0.828 173.940 174.600 0.281 0.000 1.094 379 S CA -0.870 57.360 58.200 0.050 0.000 0.983 379 S CB 1.800 64.995 63.200 -0.010 0.000 1.101 379 S HN 0.677 nan 8.310 nan 0.000 0.514 380 L N 2.184 123.533 121.223 0.210 0.000 2.319 380 L HA 0.289 4.629 4.340 -0.001 0.000 0.280 380 L C 0.213 177.129 176.870 0.077 0.000 1.099 380 L CA -0.220 54.726 54.840 0.177 0.000 0.828 380 L CB 0.417 42.553 42.059 0.127 0.000 1.150 380 L HN 0.489 nan 8.230 nan 0.000 0.442 381 K N 3.250 123.660 120.400 0.017 0.000 2.436 381 K HA 0.014 4.334 4.320 -0.001 0.000 0.282 381 K C -0.226 176.372 176.600 -0.004 0.000 1.044 381 K CA 0.218 56.507 56.287 0.003 0.000 1.028 381 K CB 0.084 32.565 32.500 -0.031 0.000 0.919 381 K HN 0.555 nan 8.250 nan 0.000 0.474 382 D N 2.409 122.821 120.400 0.019 0.000 3.830 382 D HA -0.135 4.504 4.640 -0.001 0.000 0.247 382 D C -0.926 175.391 176.300 0.029 0.000 1.073 382 D CA 0.414 54.425 54.000 0.019 0.000 1.116 382 D CB -0.975 39.827 40.800 0.003 0.000 0.909 382 D HN 0.424 nan 8.370 nan 0.000 0.418 383 S N 1.141 116.868 115.700 0.045 0.000 2.930 383 S HA 0.171 4.641 4.470 -0.001 0.000 0.257 383 S C 1.709 176.336 174.600 0.046 0.000 1.208 383 S CA 0.165 58.402 58.200 0.061 0.000 1.233 383 S CB 0.046 63.291 63.200 0.076 0.000 0.900 383 S HN 0.596 nan 8.310 nan 0.000 0.472 384 S N 1.283 116.995 115.700 0.020 0.000 2.309 384 S HA -0.109 4.361 4.470 -0.001 0.000 0.206 384 S C 2.254 176.821 174.600 -0.056 0.000 1.028 384 S CA 0.923 59.117 58.200 -0.009 0.000 0.972 384 S CB -1.153 62.038 63.200 -0.016 0.000 0.961 384 S HN 0.801 nan 8.310 nan 0.000 0.449 385 C N 1.295 120.522 119.300 -0.121 0.000 2.448 385 C HA 0.324 4.784 4.460 -0.001 0.000 0.280 385 C C 0.883 175.522 174.990 -0.584 0.000 1.398 385 C CA -0.549 58.266 59.018 -0.339 0.000 1.774 385 C CB -1.682 25.822 27.740 -0.393 0.000 1.888 385 C HN 0.568 nan 8.230 nan 0.000 0.519 386 H N 0.534 119.630 119.070 0.042 0.000 2.894 386 H HA 0.468 5.024 4.556 -0.001 0.000 0.367 386 H C -0.423 174.952 175.328 0.079 0.000 1.144 386 H CA 0.319 56.403 56.048 0.060 0.000 1.180 386 H CB 1.834 31.629 29.762 0.056 0.000 1.758 386 H HN 0.369 nan 8.280 nan 0.000 0.541 387 T N -1.109 113.585 114.554 0.234 0.000 2.944 387 T HA 0.217 4.566 4.350 -0.001 0.000 0.284 387 T C 0.991 175.799 174.700 0.180 0.000 1.010 387 T CA -0.773 61.458 62.100 0.218 0.000 1.025 387 T CB 1.798 70.849 68.868 0.305 0.000 1.079 387 T HN 0.390 nan 8.240 nan 0.000 0.516 388 E N 0.125 120.365 120.200 0.066 0.000 2.204 388 E HA 0.055 4.405 4.350 -0.001 0.000 0.195 388 E C 1.210 177.721 176.600 -0.147 0.000 0.990 388 E CA 1.100 57.435 56.400 -0.109 0.000 0.821 388 E CB -0.579 28.918 29.700 -0.337 0.000 0.750 388 E HN 0.725 nan 8.360 nan 0.000 0.477 389 F N 1.150 121.107 119.950 0.013 0.000 2.186 389 F HA -0.105 4.421 4.527 -0.001 0.000 0.299 389 F C 2.045 177.872 175.800 0.045 0.000 1.090 389 F CA 1.089 59.103 58.000 0.023 0.000 1.307 389 F CB -0.247 38.770 39.000 0.029 0.000 1.019 389 F HN 0.033 nan 8.300 nan 0.000 0.489 390 E N 0.528 120.873 120.200 0.242 0.000 2.077 390 E HA -0.183 4.166 4.350 -0.001 0.000 0.193 390 E C 2.283 178.956 176.600 0.123 0.000 0.989 390 E CA 1.386 57.889 56.400 0.172 0.000 0.800 390 E CB -0.297 29.511 29.700 0.180 0.000 0.746 390 E HN 0.437 nan 8.360 nan 0.000 0.452 391 I N 0.807 121.438 120.570 0.100 0.000 2.286 391 I HA -0.252 3.918 4.170 -0.001 0.000 0.248 391 I C 2.682 178.844 176.117 0.075 0.000 1.115 391 I CA 0.737 62.087 61.300 0.084 0.000 1.392 391 I CB -0.318 37.735 38.000 0.089 0.000 1.065 391 I HN 0.073 nan 8.210 nan 0.000 0.418 392 S N 0.784 116.511 115.700 0.046 0.000 2.356 392 S HA -0.216 4.253 4.470 -0.001 0.000 0.223 392 S C 1.745 176.406 174.600 0.103 0.000 1.032 392 S CA 1.796 60.025 58.200 0.049 0.000 1.005 392 S CB -0.247 62.960 63.200 0.011 0.000 0.867 392 S HN 0.363 nan 8.310 nan 0.000 0.449 393 D N 0.669 121.139 120.400 0.117 0.000 2.117 393 D HA -0.073 4.566 4.640 -0.001 0.000 0.197 393 D C 1.892 178.267 176.300 0.126 0.000 0.987 393 D CA 1.098 55.169 54.000 0.117 0.000 0.829 393 D CB -0.404 40.465 40.800 0.114 0.000 0.961 393 D HN 0.361 nan 8.370 nan 0.000 0.460 394 M N 0.220 119.902 119.600 0.137 0.000 2.108 394 M HA -0.091 4.388 4.480 -0.001 0.000 0.261 394 M C 2.014 178.477 176.300 0.273 0.000 1.066 394 M CA 1.098 56.501 55.300 0.171 0.000 1.107 394 M CB -0.245 32.450 32.600 0.158 0.000 1.356 394 M HN -0.045 nan 8.290 nan 0.000 0.406 395 L N -1.162 120.221 121.223 0.267 0.000 2.191 395 L HA -0.198 4.142 4.340 -0.001 0.000 0.212 395 L C 2.447 179.549 176.870 0.386 0.000 1.103 395 L CA 0.621 55.688 54.840 0.379 0.000 0.769 395 L CB -0.660 41.554 42.059 0.259 0.000 0.908 395 L HN 0.197 nan 8.230 nan 0.000 0.438 396 R N 0.622 121.262 120.500 0.234 0.000 2.117 396 R HA -0.167 4.173 4.340 -0.001 0.000 0.243 396 R C 2.262 178.625 176.300 0.105 0.000 1.143 396 R CA 1.377 57.570 56.100 0.155 0.000 0.968 396 R CB -0.555 29.807 30.300 0.103 0.000 0.863 396 R HN 0.439 nan 8.270 nan 0.000 0.444 397 R N -0.915 119.633 120.500 0.081 0.000 2.120 397 R HA -0.137 4.203 4.340 -0.001 0.000 0.234 397 R C 1.836 178.029 176.300 -0.178 0.000 1.123 397 R CA 1.446 57.491 56.100 -0.091 0.000 0.975 397 R CB -0.278 29.897 30.300 -0.208 0.000 0.866 397 R HN 0.327 nan 8.270 nan 0.000 0.446 398 Y N -0.944 119.377 120.300 0.036 0.000 2.544 398 Y HA 0.154 4.704 4.550 -0.001 0.000 0.286 398 Y C 1.790 177.560 175.900 -0.218 0.000 1.141 398 Y CA 0.737 58.820 58.100 -0.029 0.000 1.299 398 Y CB 0.543 39.075 38.460 0.120 0.000 1.030 398 Y HN 0.298 nan 8.280 nan 0.000 0.543 399 G N -1.828 106.952 108.800 -0.032 0.000 2.201 399 G HA2 -0.235 3.724 3.960 -0.001 0.000 0.212 399 G HA3 -0.235 3.724 3.960 -0.001 0.000 0.212 399 G C -0.192 174.623 174.900 -0.140 0.000 0.994 399 G CA -0.557 44.452 45.100 -0.152 0.000 0.644 399 G HN 0.271 nan 8.290 nan 0.000 0.508 400 W N 0.761 122.131 121.300 0.117 0.000 2.238 400 W HA 0.667 5.326 4.660 -0.001 0.000 0.321 400 W C 0.789 177.346 176.519 0.063 0.000 1.293 400 W CA -0.735 56.662 57.345 0.086 0.000 1.204 400 W CB 0.592 30.099 29.460 0.079 0.000 1.167 400 W HN 0.006 nan 8.180 nan 0.000 0.553 401 I N 4.575 125.327 120.570 0.302 0.000 2.371 401 I HA 0.235 4.404 4.170 -0.001 0.000 0.282 401 I C -0.705 175.486 176.117 0.123 0.000 1.031 401 I CA -0.783 60.619 61.300 0.170 0.000 1.180 401 I CB 0.404 38.471 38.000 0.110 0.000 1.336 401 I HN 0.003 nan 8.210 nan 0.000 0.467 402 V N 8.072 128.041 119.914 0.091 0.000 2.407 402 V HA 0.391 4.511 4.120 -0.001 0.000 0.291 402 V C -2.289 173.793 176.094 -0.021 0.000 1.018 402 V CA -1.669 60.635 62.300 0.008 0.000 0.842 402 V CB 1.695 33.504 31.823 -0.024 0.000 0.996 402 V HN 0.495 nan 8.190 nan 0.000 0.426 403 P HA 0.607 nan 4.420 nan 0.000 0.281 403 P C -0.883 176.355 177.300 -0.103 0.000 1.249 403 P CA -0.361 62.748 63.100 0.014 0.000 0.810 403 P CB 1.306 33.073 31.700 0.111 0.000 1.008 404 A N 2.351 125.081 122.820 -0.150 0.000 2.365 404 A HA 0.845 5.165 4.320 -0.001 0.000 0.318 404 A C -1.502 175.904 177.584 -0.297 0.000 1.091 404 A CA -0.506 51.228 52.037 -0.503 0.000 0.763 404 A CB 0.789 19.250 19.000 -0.898 0.000 1.248 404 A HN 0.640 nan 8.150 nan 0.000 0.442 405 Y N -1.311 118.779 120.300 -0.349 0.000 2.624 405 Y HA 0.709 5.258 4.550 -0.000 0.000 0.334 405 Y C -0.167 175.695 175.900 -0.062 0.000 1.155 405 Y CA -0.743 57.302 58.100 -0.093 0.000 1.046 405 Y CB 0.708 39.149 38.460 -0.032 0.000 1.316 405 Y HN 0.698 nan 8.280 nan 0.000 0.457 406 T N 0.806 115.505 114.554 0.241 0.000 2.837 406 T HA 0.495 4.845 4.350 -0.001 0.000 0.285 406 T C 0.202 175.010 174.700 0.180 0.000 0.984 406 T CA -0.923 61.267 62.100 0.150 0.000 1.049 406 T CB 0.820 69.796 68.868 0.180 0.000 0.947 406 T HN 0.640 nan 8.240 nan 0.000 0.472 407 M N 2.625 122.285 119.600 0.100 0.000 2.240 407 M HA 0.267 4.747 4.480 -0.001 0.000 0.317 407 M C -2.175 174.198 176.300 0.121 0.000 1.087 407 M CA -2.387 52.989 55.300 0.127 0.000 1.176 407 M CB -0.819 31.850 32.600 0.116 0.000 1.439 407 M HN 0.465 nan 8.290 nan 0.000 0.452 408 P HA 0.247 nan 4.420 nan 0.000 0.274 408 P C -2.458 174.900 177.300 0.097 0.000 1.246 408 P CA -0.958 62.202 63.100 0.100 0.000 0.795 408 P CB -0.471 31.283 31.700 0.091 0.000 1.006 409 P HA -0.014 nan 4.420 nan 0.000 0.268 409 P C -0.439 176.905 177.300 0.074 0.000 1.208 409 P CA 0.295 63.445 63.100 0.083 0.000 0.777 409 P CB 0.307 32.048 31.700 0.067 0.000 0.875 410 N N 1.138 119.881 118.700 0.073 0.000 3.209 410 N HA 0.278 5.017 4.740 -0.001 0.000 0.309 410 N C 0.245 175.851 175.510 0.160 0.000 1.384 410 N CA -0.053 53.059 53.050 0.102 0.000 1.173 410 N CB -0.143 38.391 38.487 0.079 0.000 1.460 410 N HN 0.424 nan 8.380 nan 0.000 0.534 411 A N 0.340 123.227 122.820 0.112 0.000 2.585 411 A HA 0.128 4.448 4.320 -0.001 0.000 0.281 411 A C 0.759 178.279 177.584 -0.106 0.000 0.945 411 A CA -0.350 51.656 52.037 -0.051 0.000 1.031 411 A CB 0.286 19.289 19.000 0.005 0.000 1.221 411 A HN 0.078 nan 8.150 nan 0.000 0.496 412 Q N 0.409 120.261 119.800 0.086 0.000 2.541 412 Q HA -0.093 4.247 4.340 -0.001 0.000 0.215 412 Q C 1.385 177.455 176.000 0.117 0.000 0.977 412 Q CA 1.518 57.381 55.803 0.100 0.000 0.934 412 Q CB -0.681 28.133 28.738 0.126 0.000 0.988 412 Q HN 0.903 nan 8.270 nan 0.000 0.521 413 H N -1.267 117.857 119.070 0.090 0.000 2.595 413 H HA 0.165 4.721 4.556 -0.001 0.000 0.265 413 H C 0.204 175.582 175.328 0.085 0.000 0.953 413 H CA -0.184 55.913 56.048 0.081 0.000 1.197 413 H CB 0.394 30.195 29.762 0.066 0.000 1.438 413 H HN 0.106 nan 8.280 nan 0.000 0.531 414 I N 3.605 123.997 120.570 -0.296 0.000 2.416 414 I HA 0.140 4.310 4.170 -0.001 0.000 0.288 414 I C -0.047 176.012 176.117 -0.095 0.000 1.051 414 I CA 0.115 61.324 61.300 -0.152 0.000 1.375 414 I CB 1.027 38.945 38.000 -0.135 0.000 1.407 414 I HN 0.039 nan 8.210 nan 0.000 0.516 415 T N 6.448 120.942 114.554 -0.099 0.000 2.824 415 T HA 0.609 4.958 4.350 -0.001 0.000 0.282 415 T C -0.079 174.415 174.700 -0.344 0.000 0.993 415 T CA -0.572 61.416 62.100 -0.187 0.000 0.967 415 T CB 2.154 70.972 68.868 -0.084 0.000 0.960 415 T HN 0.483 nan 8.240 nan 0.000 0.441 416 V N 1.570 121.129 119.914 -0.592 0.000 3.001 416 V HA 0.793 4.913 4.120 -0.001 0.000 0.314 416 V C -1.072 174.461 176.094 -0.935 0.000 1.099 416 V CA -1.247 60.627 62.300 -0.711 0.000 0.989 416 V CB 1.667 33.076 31.823 -0.689 0.000 1.040 416 V HN 0.789 nan 8.190 nan 0.000 0.434 417 L N 2.836 123.458 121.223 -1.002 0.000 2.325 417 L HA 0.715 5.055 4.340 -0.001 0.000 0.278 417 L C 0.084 176.411 176.870 -0.905 0.000 1.023 417 L CA -0.576 53.649 54.840 -1.026 0.000 0.811 417 L CB 1.736 43.012 42.059 -1.306 0.000 1.249 417 L HN 0.795 nan 8.230 nan 0.000 0.431 418 R N 2.002 122.226 120.500 -0.460 0.000 2.561 418 R HA 0.683 5.023 4.340 -0.001 0.000 0.297 418 R C -1.844 174.369 176.300 -0.145 0.000 0.969 418 R CA -0.548 55.431 56.100 -0.202 0.000 0.879 418 R CB 2.092 32.424 30.300 0.053 0.000 1.178 418 R HN 0.409 nan 8.270 nan 0.000 0.445 419 V N 5.291 125.139 119.914 -0.109 0.000 2.376 419 V HA 0.273 4.393 4.120 -0.001 0.000 0.287 419 V C -0.256 175.693 176.094 -0.242 0.000 1.015 419 V CA -0.808 61.387 62.300 -0.175 0.000 0.834 419 V CB 1.717 33.441 31.823 -0.165 0.000 1.001 419 V HN 0.511 nan 8.190 nan 0.000 0.428 420 V N 6.099 125.816 119.914 -0.330 0.000 2.461 420 V HA 0.355 4.475 4.120 -0.001 0.000 0.275 420 V C 0.180 176.059 176.094 -0.358 0.000 1.047 420 V CA -0.386 61.691 62.300 -0.371 0.000 0.955 420 V CB 1.362 32.808 31.823 -0.628 0.000 0.988 420 V HN 0.560 nan 8.190 nan 0.000 0.471 421 I N 6.135 126.574 120.570 -0.218 0.000 2.297 421 I HA 0.456 4.626 4.170 -0.001 0.000 0.291 421 I C 0.600 176.736 176.117 0.033 0.000 1.033 421 I CA 0.050 61.230 61.300 -0.200 0.000 1.253 421 I CB 0.510 38.471 38.000 -0.064 0.000 1.396 421 I HN 0.641 nan 8.210 nan 0.000 0.476 422 R N 3.509 124.006 120.500 -0.006 0.000 2.705 422 R HA 0.279 4.619 4.340 -0.001 0.000 0.246 422 R C 1.227 177.594 176.300 0.112 0.000 1.142 422 R CA -0.795 55.317 56.100 0.021 0.000 1.114 422 R CB 1.360 31.621 30.300 -0.065 0.000 1.256 422 R HN 0.543 nan 8.270 nan 0.000 0.536 423 E N 1.081 121.322 120.200 0.070 0.000 2.085 423 E HA -0.217 4.133 4.350 -0.001 0.000 0.194 423 E C 0.209 176.815 176.600 0.009 0.000 0.994 423 E CA 1.838 58.274 56.400 0.060 0.000 0.801 423 E CB 0.032 29.761 29.700 0.048 0.000 0.743 423 E HN 0.563 nan 8.360 nan 0.000 0.453 424 D N -0.458 119.955 120.400 0.023 0.000 2.434 424 D HA -0.047 4.593 4.640 -0.001 0.000 0.232 424 D C -0.559 175.759 176.300 0.029 0.000 1.166 424 D CA -0.352 53.594 54.000 -0.089 0.000 0.830 424 D CB -0.744 40.014 40.800 -0.070 0.000 0.960 424 D HN 0.068 nan 8.370 nan 0.000 0.497 425 F N 2.366 122.278 119.950 -0.063 0.000 2.307 425 F HA 0.314 4.840 4.527 -0.001 0.000 0.369 425 F C 0.302 176.079 175.800 -0.038 0.000 1.076 425 F CA -1.031 56.955 58.000 -0.024 0.000 1.149 425 F CB 0.551 39.554 39.000 0.004 0.000 1.410 425 F HN -0.095 nan 8.300 nan 0.000 0.481 426 S N 3.710 119.195 115.700 -0.357 0.000 2.634 426 S HA 0.268 4.738 4.470 -0.001 0.000 0.261 426 S C 1.342 175.717 174.600 -0.375 0.000 1.271 426 S CA -0.673 57.354 58.200 -0.288 0.000 0.985 426 S CB 1.342 64.403 63.200 -0.231 0.000 0.968 426 S HN 0.746 nan 8.310 nan 0.000 0.568 427 R N 0.483 120.857 120.500 -0.211 0.000 2.120 427 R HA -0.048 4.291 4.340 -0.001 0.000 0.234 427 R C 2.071 178.257 176.300 -0.189 0.000 1.123 427 R CA 2.253 58.253 56.100 -0.168 0.000 0.975 427 R CB -1.579 28.663 30.300 -0.096 0.000 0.866 427 R HN 0.850 nan 8.270 nan 0.000 0.446 428 T N 0.880 115.324 114.554 -0.183 0.000 2.684 428 T HA -0.126 4.224 4.350 -0.001 0.000 0.267 428 T C 1.416 176.027 174.700 -0.149 0.000 1.036 428 T CA 1.346 63.364 62.100 -0.137 0.000 1.148 428 T CB -0.193 68.608 68.868 -0.111 0.000 0.863 428 T HN 0.049 nan 8.240 nan 0.000 0.436 429 L N 1.099 122.154 121.223 -0.280 0.000 2.056 429 L HA 0.168 4.508 4.340 -0.001 0.000 0.207 429 L C 2.834 179.512 176.870 -0.321 0.000 1.078 429 L CA 1.319 56.011 54.840 -0.247 0.000 0.749 429 L CB -1.457 40.313 42.059 -0.482 0.000 0.901 429 L HN 0.245 nan 8.230 nan 0.000 0.433 430 A N -0.682 121.812 122.820 -0.542 0.000 1.883 430 A HA -0.244 4.075 4.320 -0.001 0.000 0.217 430 A C 2.251 179.779 177.584 -0.093 0.000 1.186 430 A CA 1.898 53.856 52.037 -0.132 0.000 0.624 430 A CB -0.512 18.477 19.000 -0.017 0.000 0.822 430 A HN 0.509 nan 8.150 nan 0.000 0.444 431 E N -0.818 119.321 120.200 -0.102 0.000 2.152 431 E HA -0.129 4.221 4.350 -0.001 0.000 0.192 431 E C 2.300 178.866 176.600 -0.058 0.000 0.983 431 E CA 0.725 57.081 56.400 -0.074 0.000 0.818 431 E CB -0.136 29.528 29.700 -0.060 0.000 0.758 431 E HN 0.521 nan 8.360 nan 0.000 0.467 432 R N 0.507 120.997 120.500 -0.016 0.000 2.148 432 R HA -0.030 4.310 4.340 -0.001 0.000 0.227 432 R C 2.451 178.754 176.300 0.005 0.000 1.103 432 R CA 0.495 56.638 56.100 0.071 0.000 0.983 432 R CB -0.178 30.256 30.300 0.223 0.000 0.874 432 R HN 0.218 nan 8.270 nan 0.000 0.451 433 L N 0.723 121.818 121.223 -0.214 0.000 2.027 433 L HA -0.155 4.185 4.340 -0.001 0.000 0.206 433 L C 2.145 178.790 176.870 -0.375 0.000 1.074 433 L CA 1.299 55.770 54.840 -0.614 0.000 0.745 433 L CB -0.177 41.449 42.059 -0.723 0.000 0.898 433 L HN 0.027 nan 8.230 nan 0.000 0.433 434 V N 0.516 120.287 119.914 -0.238 0.000 2.287 434 V HA -0.350 3.770 4.120 -0.001 0.000 0.248 434 V C 2.412 178.421 176.094 -0.142 0.000 1.053 434 V CA 2.086 64.274 62.300 -0.186 0.000 1.027 434 V CB -0.411 31.331 31.823 -0.136 0.000 0.646 434 V HN 0.367 nan 8.190 nan 0.000 0.447 435 I N 0.262 120.767 120.570 -0.109 0.000 2.163 435 I HA -0.252 3.917 4.170 -0.001 0.000 0.243 435 I C 2.212 178.262 176.117 -0.111 0.000 1.085 435 I CA 1.758 63.011 61.300 -0.077 0.000 1.347 435 I CB -0.502 37.475 38.000 -0.039 0.000 1.044 435 I HN 0.316 nan 8.210 nan 0.000 0.408 436 D N 0.615 120.918 120.400 -0.161 0.000 2.224 436 D HA -0.062 4.578 4.640 -0.001 0.000 0.205 436 D C 2.224 178.354 176.300 -0.284 0.000 0.965 436 D CA 1.057 54.875 54.000 -0.304 0.000 0.852 436 D CB -0.052 40.571 40.800 -0.295 0.000 0.947 436 D HN 0.357 nan 8.370 nan 0.000 0.494 437 I N 0.821 121.266 120.570 -0.209 0.000 2.353 437 I HA -0.190 3.980 4.170 -0.001 0.000 0.248 437 I C 2.085 178.182 176.117 -0.034 0.000 1.119 437 I CA 0.951 62.179 61.300 -0.120 0.000 1.417 437 I CB -0.081 37.831 38.000 -0.147 0.000 1.078 437 I HN -0.033 nan 8.210 nan 0.000 0.421 438 E N 0.980 121.152 120.200 -0.046 0.000 2.072 438 E HA -0.219 4.131 4.350 -0.001 0.000 0.191 438 E C 2.126 178.716 176.600 -0.017 0.000 0.985 438 E CA 1.059 57.451 56.400 -0.014 0.000 0.801 438 E CB -0.001 29.684 29.700 -0.025 0.000 0.750 438 E HN 0.405 nan 8.360 nan 0.000 0.452 439 K N 0.488 120.863 120.400 -0.042 0.000 2.063 439 K HA -0.135 4.185 4.320 -0.001 0.000 0.208 439 K C 2.174 178.787 176.600 0.021 0.000 1.048 439 K CA 1.149 57.430 56.287 -0.011 0.000 0.928 439 K CB -0.134 32.349 32.500 -0.028 0.000 0.713 439 K HN -0.006 nan 8.250 nan 0.000 0.442 440 V N 1.403 121.318 119.914 0.002 0.000 2.407 440 V HA -0.240 3.880 4.120 -0.001 0.000 0.248 440 V C 2.240 178.346 176.094 0.019 0.000 1.055 440 V CA 1.383 63.714 62.300 0.050 0.000 1.049 440 V CB -0.319 31.540 31.823 0.059 0.000 0.662 440 V HN 0.345 nan 8.190 nan 0.000 0.455 441 M N -0.689 118.920 119.600 0.015 0.000 2.175 441 M HA -0.096 4.384 4.480 -0.001 0.000 0.264 441 M C 2.235 178.511 176.300 -0.039 0.000 1.063 441 M CA 1.548 56.840 55.300 -0.014 0.000 1.119 441 M CB -1.262 31.340 32.600 0.003 0.000 1.377 441 M HN 0.287 nan 8.290 nan 0.000 0.415 442 R N 0.278 120.770 120.500 -0.014 0.000 2.066 442 R HA -0.110 4.229 4.340 -0.001 0.000 0.232 442 R C 2.062 178.358 176.300 -0.006 0.000 1.131 442 R CA 1.264 57.360 56.100 -0.007 0.000 0.955 442 R CB -0.330 29.974 30.300 0.007 0.000 0.851 442 R HN 0.501 nan 8.270 nan 0.000 0.432 443 E N 0.622 120.826 120.200 0.008 0.000 2.219 443 E HA -0.203 4.146 4.350 -0.001 0.000 0.198 443 E C 1.877 178.460 176.600 -0.029 0.000 0.998 443 E CA 0.967 57.375 56.400 0.014 0.000 0.818 443 E CB -0.060 29.671 29.700 0.050 0.000 0.741 443 E HN 0.341 nan 8.360 nan 0.000 0.477 444 L N 0.599 121.757 121.223 -0.108 0.000 2.209 444 L HA -0.082 4.258 4.340 -0.001 0.000 0.207 444 L C 1.500 178.272 176.870 -0.164 0.000 1.094 444 L CA 0.428 55.084 54.840 -0.307 0.000 0.790 444 L CB -0.027 41.659 42.059 -0.622 0.000 0.932 444 L HN -0.018 nan 8.230 nan 0.000 0.447 445 D N 0.388 120.756 120.400 -0.053 0.000 2.351 445 D HA -0.130 4.510 4.640 -0.001 0.000 0.216 445 D C 0.790 177.130 176.300 0.066 0.000 0.968 445 D CA 0.967 54.993 54.000 0.042 0.000 0.899 445 D CB 0.074 40.884 40.800 0.017 0.000 0.907 445 D HN 0.253 nan 8.370 nan 0.000 0.514 446 E N -0.255 119.976 120.200 0.051 0.000 2.815 446 E HA 0.328 4.678 4.350 -0.001 0.000 0.211 446 E C -0.408 176.234 176.600 0.071 0.000 1.004 446 E CA -0.078 56.355 56.400 0.054 0.000 1.173 446 E CB 0.545 30.266 29.700 0.035 0.000 1.163 446 E HN 0.110 nan 8.360 nan 0.000 0.449 447 L N 0.082 121.376 121.223 0.119 0.000 2.376 447 L HA 0.589 4.928 4.340 -0.001 0.000 0.258 447 L C -1.868 175.089 176.870 0.145 0.000 1.013 447 L CA -2.332 52.591 54.840 0.138 0.000 0.822 447 L CB 1.244 43.404 42.059 0.169 0.000 1.388 447 L HN 0.027 nan 8.230 nan 0.000 0.413 448 P HA 0.000 nan 4.420 nan 0.000 0.216 448 P CA 0.000 63.124 63.100 0.040 0.000 0.800 448 P CB 0.000 31.720 31.700 0.033 0.000 0.726