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 3oqb_1_H DATA FIRST_RESID 3 DATA SEQUENCE TTQRLGLIXN GVTGRXGLNQ HLIRSIVAIR DQGGVRLKNG DRIXPDPILV DATA SEQUENCE GRSAEKVEAL AKRFNIARWT TDLDAALADK NDTXFFDAAT TQARPGLLTQ DATA SEQUENCE AINAGKHVYC EKPIATNFEE ALEVVKLANS KGVKHGTVQD KLFLPGLKKI DATA SEQUENCE AFLRDSGFFG RILSVRGEFG YWVFEGGWQE AQRPSWNYRD EDGGGIILDX DATA SEQUENCE VCHWRYVLDN LFGNVQSVVC IGNTDIPERF DEQGKKYKAT ADDSAYATFQ DATA SEQUENCE LEGGVIAHIN XSWVTRVYRD DLVTFQVDGT HGSAVAGLSD CXIQARQATP DATA SEQUENCE RPVWNPXXXX XHDFYGDWQK LPDNVSYDNG FKEQWEXFIR HVYEDAPYKF DATA SEQUENCE TLLEGAKGVQ LAECALKSWK ERRWIDVAPI 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 3 T HA 0.000 nan 4.350 nan 0.000 0.228 3 T C 0.000 174.680 174.700 -0.033 0.000 1.109 3 T CA 0.000 62.086 62.100 -0.024 0.000 1.349 3 T CB 0.000 68.857 68.868 -0.018 0.000 0.612 4 T N 1.426 115.957 114.554 -0.038 0.000 3.578 4 T HA 0.595 4.945 4.350 0.000 0.000 0.343 4 T C -1.942 172.723 174.700 -0.057 0.000 1.126 4 T CA -0.409 61.662 62.100 -0.049 0.000 1.092 4 T CB 1.794 70.639 68.868 -0.039 0.000 1.160 4 T HN 0.383 nan 8.240 nan 0.000 0.469 5 Q N 2.061 121.808 119.800 -0.088 0.000 2.495 5 Q HA 0.647 4.987 4.340 0.000 0.000 0.283 5 Q C -0.760 175.174 176.000 -0.110 0.000 1.097 5 Q CA -1.190 54.553 55.803 -0.100 0.000 0.836 5 Q CB 2.465 31.116 28.738 -0.144 0.000 1.426 5 Q HN 0.524 nan 8.270 nan 0.000 0.459 6 R N 1.054 121.501 120.500 -0.088 0.000 2.599 6 R HA 0.556 4.896 4.340 0.000 0.000 0.295 6 R C -1.845 174.426 176.300 -0.049 0.000 0.963 6 R CA -0.712 55.351 56.100 -0.060 0.000 0.883 6 R CB 1.107 31.397 30.300 -0.016 0.000 1.171 6 R HN 0.494 nan 8.270 nan 0.000 0.450 7 L N 3.053 124.257 121.223 -0.031 0.000 2.372 7 L HA 0.596 4.936 4.340 0.000 0.000 0.274 7 L C -0.631 176.299 176.870 0.099 0.000 0.988 7 L CA -0.090 54.788 54.840 0.064 0.000 0.833 7 L CB 1.931 43.999 42.059 0.015 0.000 1.236 7 L HN 0.686 nan 8.230 nan 0.000 0.410 8 G N 4.318 113.203 108.800 0.142 0.000 2.415 8 G HA2 0.513 4.473 3.960 0.000 0.000 0.269 8 G HA3 0.513 4.473 3.960 0.000 0.000 0.269 8 G C -1.387 173.621 174.900 0.180 0.000 1.209 8 G CA -0.305 44.877 45.100 0.135 0.000 0.835 8 G HN 0.843 nan 8.290 nan 0.000 0.534 9 L N 3.570 124.894 121.223 0.169 0.000 2.611 9 L HA 0.546 4.886 4.340 0.000 0.000 0.263 9 L C -0.407 176.596 176.870 0.221 0.000 0.969 9 L CA -1.011 53.960 54.840 0.217 0.000 0.894 9 L CB 1.308 43.475 42.059 0.180 0.000 1.229 9 L HN 0.681 nan 8.230 nan 0.000 0.416 13 G N 0.061 108.832 108.800 -0.047 0.000 2.205 13 G HA2 -0.249 3.711 3.960 0.000 0.000 0.261 13 G HA3 -0.249 3.711 3.960 0.000 0.000 0.261 13 G C -0.021 174.865 174.900 -0.024 0.000 0.980 13 G CA 0.318 45.381 45.100 -0.062 0.000 0.632 13 G HN 0.817 nan 8.290 nan 0.000 0.533 14 V N 0.857 120.778 119.914 0.012 0.000 2.694 14 V HA 0.428 4.548 4.120 0.000 0.000 0.306 14 V C 1.502 177.617 176.094 0.035 0.000 1.054 14 V CA 2.070 64.408 62.300 0.064 0.000 1.161 14 V CB 0.974 32.858 31.823 0.100 0.000 0.916 14 V HN 1.240 nan 8.190 nan 0.000 0.490 15 T N 3.368 117.945 114.554 0.038 0.000 4.517 15 T HA -0.115 4.235 4.350 0.000 0.000 0.332 15 T C 1.089 175.805 174.700 0.027 0.000 0.770 15 T CA 0.729 62.844 62.100 0.024 0.000 2.014 15 T CB -1.366 67.503 68.868 0.003 0.000 1.907 15 T HN 1.298 nan 8.240 nan 0.000 0.987 16 G N 1.223 110.047 108.800 0.041 0.000 2.942 16 G HA2 0.142 4.102 3.960 0.000 0.000 0.199 16 G HA3 0.142 4.102 3.960 0.000 0.000 0.199 16 G C 0.476 175.407 174.900 0.052 0.000 1.440 16 G CA 1.196 46.327 45.100 0.051 0.000 0.815 16 G HN 1.025 nan 8.290 nan 0.000 0.675 20 L N 2.120 123.382 121.223 0.066 0.000 1.963 20 L HA -0.054 4.287 4.340 0.000 0.000 0.220 20 L C 2.217 179.058 176.870 -0.049 0.000 1.076 20 L CA 3.303 58.149 54.840 0.010 0.000 0.772 20 L CB -0.848 41.224 42.059 0.022 0.000 0.892 20 L HN 0.384 nan 8.230 nan 0.000 0.435 21 N N -1.025 117.640 118.700 -0.059 0.000 2.022 21 N HA -0.196 4.544 4.740 0.000 0.000 0.195 21 N C 1.777 177.162 175.510 -0.210 0.000 1.063 21 N CA 1.856 54.841 53.050 -0.109 0.000 0.851 21 N CB -0.349 38.079 38.487 -0.097 0.000 1.050 21 N HN 0.400 nan 8.380 nan 0.000 0.425 22 Q N -0.094 119.481 119.800 -0.375 0.000 2.046 22 Q HA -0.058 4.282 4.340 0.000 0.000 0.200 22 Q C 1.831 177.491 176.000 -0.567 0.000 0.975 22 Q CA 1.484 56.838 55.803 -0.748 0.000 0.836 22 Q CB -0.469 27.206 28.738 -1.771 0.000 0.896 22 Q HN 0.665 nan 8.270 nan 0.000 0.428 23 H N -0.627 118.352 119.070 -0.152 0.000 2.361 23 H HA 0.060 4.616 4.556 -0.000 0.000 0.308 23 H C 2.164 177.339 175.328 -0.255 0.000 1.053 23 H CA 0.473 56.491 56.048 -0.050 0.000 1.377 23 H CB -0.189 29.697 29.762 0.206 0.000 1.434 23 H HN 0.083 nan 8.280 nan 0.000 0.548 24 L N 1.297 122.481 121.223 -0.065 0.000 1.948 24 L HA -0.095 4.245 4.340 0.000 0.000 0.212 24 L C 2.352 179.002 176.870 -0.367 0.000 1.074 24 L CA 1.446 56.152 54.840 -0.223 0.000 0.753 24 L CB -0.821 41.131 42.059 -0.178 0.000 0.888 24 L HN 0.072 nan 8.230 nan 0.000 0.432 25 I N -0.573 119.790 120.570 -0.346 0.000 2.133 25 I HA -0.235 3.935 4.170 0.000 0.000 0.238 25 I C 2.365 178.345 176.117 -0.228 0.000 1.074 25 I CA 1.240 62.331 61.300 -0.348 0.000 1.342 25 I CB -0.379 37.503 38.000 -0.198 0.000 1.053 25 I HN 0.240 nan 8.210 nan 0.000 0.404 26 R N 0.234 120.627 120.500 -0.178 0.000 2.299 26 R HA 0.100 4.440 4.340 0.000 0.000 0.197 26 R C 1.676 177.910 176.300 -0.111 0.000 0.971 26 R CA 0.683 56.716 56.100 -0.111 0.000 1.030 26 R CB 0.035 30.291 30.300 -0.075 0.000 0.932 26 R HN 0.382 nan 8.270 nan 0.000 0.477 27 S N 0.035 115.610 115.700 -0.208 0.000 3.249 27 S HA 0.109 4.579 4.470 0.000 0.000 0.237 27 S C 1.716 176.058 174.600 -0.431 0.000 1.007 27 S CA -0.253 57.773 58.200 -0.291 0.000 0.811 27 S CB -0.038 62.917 63.200 -0.408 0.000 0.832 27 S HN -0.058 nan 8.310 nan 0.000 0.573 28 I N 2.455 122.687 120.570 -0.563 0.000 2.162 28 I HA -0.072 4.098 4.170 0.000 0.000 0.238 28 I C 2.268 178.197 176.117 -0.312 0.000 1.076 28 I CA 1.053 62.040 61.300 -0.522 0.000 1.353 28 I CB -0.595 37.074 38.000 -0.552 0.000 1.063 28 I HN 0.089 nan 8.210 nan 0.000 0.408 29 V N 0.815 120.553 119.914 -0.293 0.000 2.407 29 V HA -0.295 3.825 4.120 0.000 0.000 0.248 29 V C 2.635 178.648 176.094 -0.135 0.000 1.055 29 V CA 1.781 63.957 62.300 -0.207 0.000 1.049 29 V CB -1.489 30.156 31.823 -0.296 0.000 0.662 29 V HN 0.492 nan 8.190 nan 0.000 0.455 30 A N 0.126 122.857 122.820 -0.149 0.000 1.877 30 A HA -0.171 4.149 4.320 0.000 0.000 0.216 30 A C 2.201 179.737 177.584 -0.081 0.000 1.186 30 A CA 1.999 53.981 52.037 -0.092 0.000 0.620 30 A CB -0.535 18.416 19.000 -0.081 0.000 0.822 30 A HN 0.495 nan 8.150 nan 0.000 0.443 31 I N -1.009 119.491 120.570 -0.117 0.000 2.252 31 I HA -0.241 3.929 4.170 0.000 0.000 0.245 31 I C 2.629 178.697 176.117 -0.082 0.000 1.102 31 I CA 1.541 62.784 61.300 -0.094 0.000 1.385 31 I CB -0.310 37.617 38.000 -0.122 0.000 1.064 31 I HN 0.423 nan 8.210 nan 0.000 0.414 32 R N 1.341 121.782 120.500 -0.098 0.000 2.122 32 R HA -0.253 4.087 4.340 0.000 0.000 0.236 32 R C 1.955 178.231 176.300 -0.041 0.000 1.129 32 R CA 2.581 58.640 56.100 -0.068 0.000 0.925 32 R CB -0.356 29.904 30.300 -0.067 0.000 0.850 32 R HN 0.241 nan 8.270 nan 0.000 0.431 33 D N 0.315 120.696 120.400 -0.031 0.000 2.104 33 D HA -0.187 4.453 4.640 0.000 0.000 0.194 33 D C 2.013 178.304 176.300 -0.015 0.000 0.994 33 D CA 1.380 55.373 54.000 -0.013 0.000 0.830 33 D CB -0.406 40.393 40.800 -0.002 0.000 0.959 33 D HN 0.461 nan 8.370 nan 0.000 0.452 34 Q N -0.676 119.112 119.800 -0.020 0.000 2.368 34 Q HA -0.022 4.319 4.340 0.000 0.000 0.210 34 Q C 1.121 177.110 176.000 -0.018 0.000 0.982 34 Q CA 1.094 56.887 55.803 -0.016 0.000 0.884 34 Q CB 0.150 28.879 28.738 -0.015 0.000 0.933 34 Q HN 0.454 nan 8.270 nan 0.000 0.460 35 G N -0.977 107.808 108.800 -0.025 0.000 2.184 35 G HA2 -0.089 3.871 3.960 0.000 0.000 0.206 35 G HA3 -0.089 3.871 3.960 0.000 0.000 0.206 35 G C 0.345 175.223 174.900 -0.037 0.000 0.995 35 G CA -0.303 44.781 45.100 -0.027 0.000 0.651 35 G HN 0.799 nan 8.290 nan 0.000 0.511 36 G N -2.121 106.653 108.800 -0.043 0.000 2.525 36 G HA2 0.313 4.273 3.960 0.000 0.000 0.685 36 G HA3 0.313 4.273 3.960 0.000 0.000 0.685 36 G C -0.276 174.596 174.900 -0.047 0.000 1.290 36 G CA 0.013 45.080 45.100 -0.056 0.000 0.915 36 G HN 1.467 nan 8.290 nan 0.000 0.548 37 V N 2.561 122.442 119.914 -0.055 0.000 2.614 37 V HA 0.502 4.622 4.120 0.000 0.000 0.291 37 V C 1.412 177.484 176.094 -0.037 0.000 1.049 37 V CA -0.074 62.205 62.300 -0.035 0.000 1.038 37 V CB 1.253 33.057 31.823 -0.032 0.000 0.980 37 V HN 1.110 nan 8.190 nan 0.000 0.481 38 R N 5.181 125.672 120.500 -0.015 0.000 2.863 38 R HA 0.358 4.698 4.340 0.000 0.000 0.273 38 R C -0.694 175.598 176.300 -0.013 0.000 1.057 38 R CA 0.195 56.288 56.100 -0.012 0.000 1.191 38 R CB 0.410 30.711 30.300 0.003 0.000 1.104 38 R HN 0.622 nan 8.270 nan 0.000 0.519 39 L N -0.638 120.579 121.223 -0.010 0.000 2.961 39 L HA 0.367 4.707 4.340 0.000 0.000 0.229 39 L C 1.757 178.631 176.870 0.006 0.000 2.040 39 L CA -0.572 54.265 54.840 -0.004 0.000 2.399 39 L CB 0.463 42.513 42.059 -0.014 0.000 2.432 39 L HN 0.724 nan 8.230 nan 0.000 0.587 40 K N -0.154 120.250 120.400 0.007 0.000 2.240 40 K HA 0.080 4.401 4.320 0.000 0.000 0.202 40 K C 0.582 177.185 176.600 0.006 0.000 1.053 40 K CA 0.492 56.785 56.287 0.010 0.000 0.973 40 K CB 0.234 32.742 32.500 0.012 0.000 0.924 40 K HN 0.615 nan 8.250 nan 0.000 0.477 41 N N 0.021 118.722 118.700 0.003 0.000 2.455 41 N HA 0.076 4.816 4.740 0.000 0.000 0.258 41 N C 0.746 176.254 175.510 -0.003 0.000 1.158 41 N CA 0.752 53.802 53.050 0.001 0.000 0.893 41 N CB 0.927 39.414 38.487 0.001 0.000 1.173 41 N HN 0.474 nan 8.380 nan 0.000 0.503 42 G N 0.998 109.796 108.800 -0.004 0.000 2.383 42 G HA2 -0.328 3.632 3.960 0.000 0.000 0.229 42 G HA3 -0.328 3.632 3.960 0.000 0.000 0.229 42 G C -0.123 174.768 174.900 -0.014 0.000 1.089 42 G CA 0.331 45.427 45.100 -0.007 0.000 0.640 42 G HN 0.686 nan 8.290 nan 0.000 0.510 43 D N 1.137 121.526 120.400 -0.017 0.000 2.362 43 D HA 0.446 5.086 4.640 0.000 0.000 0.238 43 D C 0.535 176.811 176.300 -0.040 0.000 1.212 43 D CA 0.170 54.154 54.000 -0.027 0.000 0.902 43 D CB 0.568 41.351 40.800 -0.028 0.000 1.180 43 D HN 0.655 nan 8.370 nan 0.000 0.445 44 R N 0.220 120.689 120.500 -0.053 0.000 2.740 44 R HA 0.555 4.895 4.340 0.000 0.000 0.282 44 R C -0.244 175.991 176.300 -0.108 0.000 0.969 44 R CA -1.000 55.060 56.100 -0.068 0.000 0.918 44 R CB 1.770 32.038 30.300 -0.052 0.000 1.175 44 R HN 0.372 nan 8.270 nan 0.000 0.464 48 D N 3.207 123.607 120.400 -0.001 0.000 2.477 48 D HA 0.329 4.970 4.640 0.000 0.000 0.239 48 D C -2.399 173.924 176.300 0.038 0.000 1.102 48 D CA -1.688 52.321 54.000 0.015 0.000 0.901 48 D CB 1.388 42.202 40.800 0.023 0.000 1.026 48 D HN 0.006 nan 8.370 nan 0.000 0.515 49 P HA 0.352 nan 4.420 nan 0.000 0.274 49 P C -0.428 176.923 177.300 0.085 0.000 1.237 49 P CA -0.513 62.617 63.100 0.049 0.000 0.793 49 P CB 1.261 32.967 31.700 0.010 0.000 0.977 50 I N 1.031 121.671 120.570 0.116 0.000 2.548 50 I HA 0.270 4.440 4.170 0.000 0.000 0.287 50 I C -1.521 174.699 176.117 0.172 0.000 1.103 50 I CA -0.854 60.529 61.300 0.138 0.000 1.049 50 I CB 0.856 38.927 38.000 0.119 0.000 1.232 50 I HN 0.001 nan 8.210 nan 0.000 0.429 51 L N 7.546 128.895 121.223 0.209 0.000 2.379 51 L HA 0.638 4.978 4.340 0.000 0.000 0.269 51 L C -0.474 176.531 176.870 0.225 0.000 1.084 51 L CA -0.684 54.281 54.840 0.208 0.000 0.802 51 L CB 1.611 43.791 42.059 0.200 0.000 1.175 51 L HN 0.391 nan 8.230 nan 0.000 0.448 52 V N 1.406 121.422 119.914 0.170 0.000 2.777 52 V HA 0.706 4.826 4.120 0.000 0.000 0.306 52 V C 0.307 176.457 176.094 0.094 0.000 1.112 52 V CA -0.317 62.074 62.300 0.152 0.000 0.917 52 V CB 1.807 33.723 31.823 0.155 0.000 1.018 52 V HN 1.014 nan 8.190 nan 0.000 0.426 53 G N 3.244 112.088 108.800 0.073 0.000 3.244 53 G HA2 0.469 4.430 3.960 0.000 0.000 0.197 53 G HA3 0.469 4.430 3.960 0.000 0.000 0.197 53 G C 0.434 175.348 174.900 0.024 0.000 1.531 53 G CA 0.059 45.176 45.100 0.029 0.000 0.747 53 G HN 0.517 nan 8.290 nan 0.000 0.763 54 R N -1.216 119.291 120.500 0.011 0.000 3.372 54 R HA 0.268 4.608 4.340 0.000 0.000 0.150 54 R C -0.013 176.297 176.300 0.017 0.000 0.739 54 R CA 0.695 56.802 56.100 0.011 0.000 1.041 54 R CB 0.666 30.964 30.300 -0.003 0.000 1.530 54 R HN 0.488 nan 8.270 nan 0.000 0.534 55 S N -0.381 115.321 115.700 0.003 0.000 2.605 55 S HA 0.525 4.995 4.470 0.000 0.000 0.308 55 S C 0.308 174.898 174.600 -0.015 0.000 1.113 55 S CA -0.531 57.674 58.200 0.008 0.000 1.049 55 S CB 2.086 65.287 63.200 0.002 0.000 1.001 55 S HN 0.298 nan 8.310 nan 0.000 0.480 56 A N 2.209 125.047 122.820 0.031 0.000 2.172 56 A HA -0.011 4.309 4.320 0.000 0.000 0.216 56 A C 1.722 179.251 177.584 -0.091 0.000 1.154 56 A CA 1.344 53.385 52.037 0.006 0.000 0.701 56 A CB -0.693 18.504 19.000 0.329 0.000 0.789 56 A HN 0.972 nan 8.150 nan 0.000 0.465 57 E N 0.023 120.202 120.200 -0.034 0.000 2.371 57 E HA -0.016 4.334 4.350 0.000 0.000 0.194 57 E C 1.432 177.983 176.600 -0.081 0.000 1.012 57 E CA 1.234 57.613 56.400 -0.035 0.000 0.860 57 E CB -0.126 29.576 29.700 0.003 0.000 0.811 57 E HN 0.563 nan 8.360 nan 0.000 0.502 58 K N -0.262 120.073 120.400 -0.108 0.000 2.391 58 K HA 0.233 4.553 4.320 0.000 0.000 0.197 58 K C 0.847 177.341 176.600 -0.177 0.000 1.087 58 K CA 0.268 56.489 56.287 -0.110 0.000 1.012 58 K CB 0.971 33.432 32.500 -0.064 0.000 0.925 58 K HN 0.021 nan 8.250 nan 0.000 0.547 59 V N 1.707 121.454 119.914 -0.279 0.000 3.342 59 V HA 0.028 4.148 4.120 0.000 0.000 0.322 59 V C 1.366 176.940 176.094 -0.866 0.000 1.370 59 V CA 0.379 62.436 62.300 -0.405 0.000 1.170 59 V CB -0.019 31.630 31.823 -0.289 0.000 1.101 59 V HN 0.221 nan 8.190 nan 0.000 0.442 60 E N 1.110 120.855 120.200 -0.758 0.000 1.999 60 E HA -0.121 4.229 4.350 0.000 0.000 0.194 60 E C 2.134 178.424 176.600 -0.517 0.000 0.995 60 E CA 1.536 57.407 56.400 -0.882 0.000 0.825 60 E CB -0.100 29.438 29.700 -0.271 0.000 0.777 60 E HN 0.584 nan 8.360 nan 0.000 0.459 61 A N 0.943 123.637 122.820 -0.209 0.000 1.969 61 A HA -0.145 4.175 4.320 0.000 0.000 0.218 61 A C 2.200 179.757 177.584 -0.046 0.000 1.169 61 A CA 0.852 52.853 52.037 -0.061 0.000 0.635 61 A CB -0.559 18.405 19.000 -0.059 0.000 0.810 61 A HN 0.240 nan 8.150 nan 0.000 0.445 62 L N -0.199 120.971 121.223 -0.088 0.000 2.113 62 L HA -0.345 3.995 4.340 0.000 0.000 0.221 62 L C 2.936 179.914 176.870 0.180 0.000 1.084 62 L CA 2.132 57.010 54.840 0.064 0.000 0.787 62 L CB -1.179 40.912 42.059 0.053 0.000 0.893 62 L HN 0.449 nan 8.230 nan 0.000 0.440 63 A N 0.365 123.284 122.820 0.164 0.000 1.852 63 A HA -0.318 4.003 4.320 0.000 0.000 0.217 63 A C 2.136 179.841 177.584 0.201 0.000 1.215 63 A CA 2.777 54.979 52.037 0.276 0.000 0.641 63 A CB -0.667 18.628 19.000 0.492 0.000 0.838 63 A HN 0.540 nan 8.150 nan 0.000 0.450 64 K N -0.956 119.534 120.400 0.149 0.000 2.459 64 K HA 0.122 4.442 4.320 0.000 0.000 0.193 64 K C 1.678 178.267 176.600 -0.018 0.000 1.030 64 K CA 0.768 57.100 56.287 0.075 0.000 1.026 64 K CB -0.079 32.462 32.500 0.069 0.000 0.809 64 K HN 0.267 nan 8.250 nan 0.000 0.504 65 R N 0.228 120.677 120.500 -0.085 0.000 2.152 65 R HA -0.020 4.320 4.340 0.000 0.000 0.232 65 R C 0.207 176.110 176.300 -0.662 0.000 1.117 65 R CA 1.226 57.105 56.100 -0.369 0.000 0.981 65 R CB -0.108 29.927 30.300 -0.441 0.000 0.870 65 R HN 0.435 nan 8.270 nan 0.000 0.451 66 F N -0.411 119.545 119.950 0.009 0.000 2.798 66 F HA 0.316 4.844 4.527 0.002 0.000 0.328 66 F C 0.025 175.830 175.800 0.008 0.000 1.098 66 F CA -0.625 57.377 58.000 0.002 0.000 1.172 66 F CB 0.293 39.288 39.000 -0.008 0.000 1.072 66 F HN -0.097 nan 8.300 nan 0.000 0.555 67 N N 1.480 120.263 118.700 0.139 0.000 2.663 67 N HA -0.178 4.562 4.740 0.000 0.000 0.263 67 N C 0.101 175.673 175.510 0.104 0.000 1.109 67 N CA 0.446 53.554 53.050 0.097 0.000 0.701 67 N CB -1.283 37.240 38.487 0.060 0.000 0.879 67 N HN 0.257 nan 8.380 nan 0.000 0.550 68 I N -0.054 120.590 120.570 0.124 0.000 4.518 68 I HA 0.416 4.587 4.170 0.000 0.000 0.231 68 I C 1.616 177.783 176.117 0.084 0.000 1.003 68 I CA 1.660 63.021 61.300 0.101 0.000 1.610 68 I CB -0.024 38.044 38.000 0.113 0.000 1.481 68 I HN 0.490 nan 8.210 nan 0.000 0.462 69 A N -1.019 121.865 122.820 0.106 0.000 2.597 69 A HA 0.453 4.773 4.320 0.000 0.000 0.117 69 A C 0.125 177.751 177.584 0.070 0.000 1.465 69 A CA -0.313 51.768 52.037 0.073 0.000 2.326 69 A CB 0.290 19.322 19.000 0.053 0.000 2.358 69 A HN 0.117 nan 8.150 nan 0.000 1.040 70 R N -0.219 120.333 120.500 0.087 0.000 2.750 70 R HA 0.576 4.916 4.340 0.000 0.000 0.281 70 R C -1.664 174.734 176.300 0.165 0.000 0.972 70 R CA -0.408 55.708 56.100 0.026 0.000 0.912 70 R CB 1.947 32.248 30.300 0.001 0.000 1.187 70 R HN 0.779 nan 8.270 nan 0.000 0.464 71 W N 0.326 121.652 121.300 0.044 0.000 3.256 71 W HA 0.523 5.182 4.660 -0.001 0.000 0.324 71 W C -1.288 175.255 176.519 0.040 0.000 1.196 71 W CA -0.968 56.406 57.345 0.048 0.000 1.206 71 W CB 1.227 30.717 29.460 0.051 0.000 1.385 71 W HN 0.629 nan 8.180 nan 0.000 0.522 72 T N -1.556 113.178 114.554 0.299 0.000 2.896 72 T HA 0.441 4.791 4.350 0.000 0.000 0.297 72 T C 0.291 175.144 174.700 0.255 0.000 1.108 72 T CA -0.274 61.949 62.100 0.205 0.000 1.004 72 T CB 2.309 71.219 68.868 0.071 0.000 1.159 72 T HN 0.346 nan 8.240 nan 0.000 0.499 73 T N 0.419 115.097 114.554 0.205 0.000 2.976 73 T HA 0.129 4.479 4.350 0.000 0.000 0.257 73 T C 0.433 175.191 174.700 0.097 0.000 1.051 73 T CA 0.647 62.840 62.100 0.155 0.000 1.141 73 T CB -0.382 68.569 68.868 0.138 0.000 0.881 73 T HN 0.768 nan 8.240 nan 0.000 0.461 74 D N 0.547 120.993 120.400 0.077 0.000 2.343 74 D HA 0.254 4.895 4.640 0.000 0.000 0.255 74 D C 0.964 177.295 176.300 0.051 0.000 1.187 74 D CA -0.197 53.832 54.000 0.049 0.000 0.875 74 D CB 0.728 41.547 40.800 0.032 0.000 1.136 74 D HN -0.007 nan 8.370 nan 0.000 0.469 75 L N 2.944 124.191 121.223 0.040 0.000 2.017 75 L HA -0.109 4.231 4.340 0.000 0.000 0.208 75 L C 1.631 178.512 176.870 0.018 0.000 1.073 75 L CA 1.266 56.129 54.840 0.039 0.000 0.745 75 L CB -0.408 41.663 42.059 0.021 0.000 0.894 75 L HN 0.433 nan 8.230 nan 0.000 0.432 76 D N 0.286 120.686 120.400 -0.000 0.000 2.271 76 D HA -0.209 4.431 4.640 0.000 0.000 0.207 76 D C 2.170 178.468 176.300 -0.002 0.000 0.983 76 D CA 1.248 55.240 54.000 -0.014 0.000 0.878 76 D CB -0.202 40.588 40.800 -0.016 0.000 0.920 76 D HN 0.398 nan 8.370 nan 0.000 0.479 77 A N 0.779 123.607 122.820 0.013 0.000 1.877 77 A HA 0.014 4.334 4.320 0.000 0.000 0.216 77 A C 2.274 179.873 177.584 0.025 0.000 1.186 77 A CA 1.983 54.029 52.037 0.016 0.000 0.620 77 A CB -0.799 18.213 19.000 0.021 0.000 0.822 77 A HN 0.270 nan 8.150 nan 0.000 0.443 78 A N -1.251 121.596 122.820 0.045 0.000 1.975 78 A HA 0.216 4.536 4.320 0.000 0.000 0.215 78 A C 1.964 179.579 177.584 0.052 0.000 1.170 78 A CA 1.141 53.217 52.037 0.065 0.000 0.656 78 A CB -0.439 18.625 19.000 0.108 0.000 0.821 78 A HN 0.358 nan 8.150 nan 0.000 0.449 79 L N -0.031 121.203 121.223 0.019 0.000 2.013 79 L HA -0.213 4.127 4.340 0.000 0.000 0.212 79 L C 2.976 179.835 176.870 -0.018 0.000 1.073 79 L CA 2.013 56.836 54.840 -0.028 0.000 0.753 79 L CB -0.827 41.189 42.059 -0.073 0.000 0.890 79 L HN 0.405 nan 8.230 nan 0.000 0.432 80 A N -1.271 121.543 122.820 -0.009 0.000 1.865 80 A HA -0.183 4.137 4.320 0.000 0.000 0.217 80 A C 0.959 178.544 177.584 0.002 0.000 1.191 80 A CA 1.174 53.206 52.037 -0.008 0.000 0.623 80 A CB -0.844 18.152 19.000 -0.006 0.000 0.826 80 A HN 0.372 nan 8.150 nan 0.000 0.444 81 D N -0.049 120.360 120.400 0.015 0.000 2.571 81 D HA 0.060 4.700 4.640 0.000 0.000 0.231 81 D C 0.927 177.243 176.300 0.027 0.000 1.133 81 D CA 0.551 54.565 54.000 0.023 0.000 0.862 81 D CB 0.587 41.408 40.800 0.036 0.000 1.179 81 D HN 0.428 nan 8.370 nan 0.000 0.474 82 K N 1.605 122.019 120.400 0.023 0.000 2.352 82 K HA -0.001 4.319 4.320 0.000 0.000 0.194 82 K C 1.366 177.990 176.600 0.040 0.000 1.038 82 K CA -0.043 56.259 56.287 0.025 0.000 1.023 82 K CB 0.212 32.721 32.500 0.014 0.000 0.840 82 K HN 0.392 nan 8.250 nan 0.000 0.519 83 N N 1.195 119.920 118.700 0.043 0.000 2.396 83 N HA -0.103 4.637 4.740 0.000 0.000 0.180 83 N C -0.426 175.129 175.510 0.076 0.000 1.028 83 N CA 0.783 53.864 53.050 0.053 0.000 0.893 83 N CB -0.105 38.407 38.487 0.041 0.000 0.967 83 N HN 0.004 nan 8.380 nan 0.000 0.440 84 D N 1.333 121.783 120.400 0.083 0.000 2.380 84 D HA 0.131 4.771 4.640 0.000 0.000 0.230 84 D C -0.033 176.344 176.300 0.127 0.000 1.154 84 D CA 0.061 54.130 54.000 0.116 0.000 0.859 84 D CB 1.565 42.439 40.800 0.123 0.000 1.045 84 D HN 0.050 nan 8.370 nan 0.000 0.495 88 F N 5.139 124.743 119.950 -0.577 0.000 2.563 88 F HA 0.720 5.247 4.527 -0.000 0.000 0.316 88 F C -1.601 173.692 175.800 -0.844 0.000 1.076 88 F CA -0.553 57.120 58.000 -0.544 0.000 0.921 88 F CB 1.678 40.767 39.000 0.148 0.000 1.209 88 F HN 0.594 nan 8.300 nan 0.000 0.462 89 D N 3.022 122.433 120.400 -1.647 0.000 2.947 89 D HA 0.627 5.267 4.640 0.000 0.000 0.224 89 D C -1.263 174.317 176.300 -1.200 0.000 1.230 89 D CA -0.209 53.096 54.000 -1.159 0.000 0.871 89 D CB 2.081 42.521 40.800 -0.601 0.000 1.671 89 D HN 0.744 nan 8.370 nan 0.000 0.507 90 A N 2.254 124.613 122.820 -0.768 0.000 2.568 90 A HA 0.715 5.035 4.320 0.000 0.000 0.287 90 A C 0.566 178.028 177.584 -0.204 0.000 0.967 90 A CA 0.436 52.205 52.037 -0.447 0.000 1.004 90 A CB -0.029 18.787 19.000 -0.307 0.000 1.233 90 A HN 0.600 nan 8.150 nan 0.000 0.513 91 A N 0.125 122.827 122.820 -0.196 0.000 3.176 91 A HA 0.658 4.978 4.320 0.000 0.000 0.182 91 A C 0.879 178.380 177.584 -0.137 0.000 2.036 91 A CA 0.437 52.398 52.037 -0.126 0.000 0.938 91 A CB -0.847 18.092 19.000 -0.102 0.000 1.909 91 A HN 0.440 nan 8.150 nan 0.000 0.760 92 T N -0.337 114.125 114.554 -0.153 0.000 2.900 92 T HA 0.287 4.637 4.350 0.000 0.000 0.307 92 T C 1.272 175.855 174.700 -0.195 0.000 1.065 92 T CA 0.440 62.409 62.100 -0.219 0.000 1.105 92 T CB 0.975 69.708 68.868 -0.225 0.000 0.979 92 T HN 0.687 nan 8.240 nan 0.000 0.544 93 T N 1.168 115.577 114.554 -0.243 0.000 2.674 93 T HA -0.172 4.178 4.350 0.000 0.000 0.265 93 T C 2.076 176.697 174.700 -0.131 0.000 1.039 93 T CA 1.587 63.584 62.100 -0.172 0.000 1.150 93 T CB -0.360 68.403 68.868 -0.174 0.000 0.864 93 T HN 0.704 nan 8.240 nan 0.000 0.427 94 Q N 0.747 120.462 119.800 -0.142 0.000 2.119 94 Q HA 0.071 4.411 4.340 0.000 0.000 0.201 94 Q C 2.419 178.369 176.000 -0.083 0.000 0.972 94 Q CA 1.566 57.308 55.803 -0.101 0.000 0.847 94 Q CB -0.840 27.838 28.738 -0.100 0.000 0.903 94 Q HN 0.634 nan 8.270 nan 0.000 0.433 95 A N 1.478 124.243 122.820 -0.092 0.000 2.066 95 A HA -0.090 4.231 4.320 0.000 0.000 0.218 95 A C 2.231 179.784 177.584 -0.051 0.000 1.157 95 A CA 0.879 52.875 52.037 -0.069 0.000 0.670 95 A CB -0.511 18.447 19.000 -0.071 0.000 0.804 95 A HN 0.296 nan 8.150 nan 0.000 0.453 96 R N 0.021 120.485 120.500 -0.059 0.000 2.070 96 R HA -0.109 4.231 4.340 0.000 0.000 0.233 96 R C -0.862 175.430 176.300 -0.014 0.000 1.137 96 R CA 1.943 58.020 56.100 -0.038 0.000 0.945 96 R CB -1.079 29.178 30.300 -0.072 0.000 0.845 96 R HN 0.370 nan 8.270 nan 0.000 0.430 97 P HA -0.069 nan 4.420 nan 0.000 0.216 97 P C 1.131 178.414 177.300 -0.029 0.000 1.153 97 P CA 1.711 64.795 63.100 -0.026 0.000 0.848 97 P CB -0.384 31.295 31.700 -0.035 0.000 0.787 98 G N 0.079 108.857 108.800 -0.036 0.000 2.469 98 G HA2 -0.247 3.713 3.960 0.000 0.000 0.219 98 G HA3 -0.247 3.713 3.960 0.000 0.000 0.219 98 G C 1.492 176.360 174.900 -0.054 0.000 1.150 98 G CA 0.785 45.858 45.100 -0.044 0.000 0.763 98 G HN 0.239 nan 8.290 nan 0.000 0.561 99 L N -0.317 120.882 121.223 -0.040 0.000 2.131 99 L HA 0.120 4.460 4.340 0.000 0.000 0.206 99 L C 2.880 179.676 176.870 -0.124 0.000 1.087 99 L CA 0.161 54.956 54.840 -0.074 0.000 0.767 99 L CB -0.386 41.681 42.059 0.014 0.000 0.917 99 L HN 0.162 nan 8.230 nan 0.000 0.441 100 L N -0.445 120.791 121.223 0.021 0.000 2.012 100 L HA -0.242 4.099 4.340 0.000 0.000 0.210 100 L C 2.701 179.546 176.870 -0.041 0.000 1.073 100 L CA 1.813 56.693 54.840 0.066 0.000 0.748 100 L CB -1.024 41.088 42.059 0.088 0.000 0.891 100 L HN 0.308 nan 8.230 nan 0.000 0.431 101 T N -0.959 113.563 114.554 -0.053 0.000 2.624 101 T HA -0.321 4.029 4.350 0.000 0.000 0.268 101 T C 1.842 176.484 174.700 -0.097 0.000 1.041 101 T CA 1.688 63.748 62.100 -0.067 0.000 1.159 101 T CB -0.349 68.483 68.868 -0.060 0.000 0.863 101 T HN 0.400 nan 8.240 nan 0.000 0.434 102 Q N 0.434 120.154 119.800 -0.133 0.000 2.124 102 Q HA -0.010 4.330 4.340 0.000 0.000 0.202 102 Q C 2.739 178.615 176.000 -0.207 0.000 0.977 102 Q CA 1.376 57.084 55.803 -0.158 0.000 0.850 102 Q CB -0.313 28.322 28.738 -0.171 0.000 0.901 102 Q HN 0.609 nan 8.270 nan 0.000 0.429 103 A N 0.595 123.221 122.820 -0.322 0.000 1.929 103 A HA -0.120 4.201 4.320 0.000 0.000 0.216 103 A C 1.995 179.505 177.584 -0.124 0.000 1.176 103 A CA 0.831 52.670 52.037 -0.331 0.000 0.628 103 A CB -0.452 18.149 19.000 -0.665 0.000 0.816 103 A HN 0.268 nan 8.150 nan 0.000 0.444 104 I N 0.155 120.679 120.570 -0.077 0.000 2.142 104 I HA -0.284 3.886 4.170 0.000 0.000 0.240 104 I C 2.230 178.316 176.117 -0.051 0.000 1.078 104 I CA 1.337 62.618 61.300 -0.033 0.000 1.343 104 I CB -0.499 37.487 38.000 -0.025 0.000 1.046 104 I HN 0.277 nan 8.210 nan 0.000 0.405 105 N N 1.358 120.020 118.700 -0.064 0.000 2.036 105 N HA -0.204 4.536 4.740 0.000 0.000 0.195 105 N C 1.795 177.269 175.510 -0.061 0.000 1.037 105 N CA 1.876 54.891 53.050 -0.059 0.000 0.855 105 N CB -0.625 37.824 38.487 -0.064 0.000 1.033 105 N HN 0.379 nan 8.380 nan 0.000 0.423 106 A N -0.401 122.374 122.820 -0.076 0.000 2.234 106 A HA 0.181 4.501 4.320 0.000 0.000 0.216 106 A C 1.605 179.153 177.584 -0.059 0.000 1.167 106 A CA 1.528 53.524 52.037 -0.068 0.000 0.698 106 A CB -0.767 18.182 19.000 -0.085 0.000 0.779 106 A HN 0.499 nan 8.150 nan 0.000 0.475 107 G N -1.403 107.359 108.800 -0.063 0.000 2.157 107 G HA2 -0.225 3.735 3.960 0.000 0.000 0.248 107 G HA3 -0.225 3.735 3.960 0.000 0.000 0.248 107 G C 0.073 174.902 174.900 -0.119 0.000 0.979 107 G CA 0.288 45.340 45.100 -0.080 0.000 0.650 107 G HN 0.487 nan 8.290 nan 0.000 0.529 108 K N 1.332 121.694 120.400 -0.062 0.000 2.270 108 K HA 0.278 4.599 4.320 0.000 0.000 0.276 108 K C 0.494 177.114 176.600 0.033 0.000 1.023 108 K CA -0.587 55.694 56.287 -0.010 0.000 0.955 108 K CB 0.491 33.063 32.500 0.120 0.000 0.975 108 K HN 0.451 nan 8.250 nan 0.000 0.471 109 H N 0.795 119.973 119.070 0.181 0.000 2.897 109 H HA 0.039 4.595 4.556 0.000 0.000 0.347 109 H C 0.030 175.600 175.328 0.404 0.000 1.068 109 H CA 0.099 56.308 56.048 0.268 0.000 1.426 109 H CB 0.578 30.454 29.762 0.190 0.000 1.410 109 H HN 0.105 nan 8.280 nan 0.000 0.597 110 V N 3.916 124.164 119.914 0.557 0.000 2.667 110 V HA 0.256 4.376 4.120 0.000 0.000 0.308 110 V C -0.965 175.258 176.094 0.216 0.000 1.048 110 V CA -0.522 62.031 62.300 0.421 0.000 0.928 110 V CB 1.751 33.778 31.823 0.341 0.000 1.004 110 V HN 0.668 nan 8.190 nan 0.000 0.444 111 Y N 4.370 124.615 120.300 -0.092 0.000 2.442 111 Y HA 0.660 5.210 4.550 -0.000 0.000 0.330 111 Y C -0.368 175.431 175.900 -0.169 0.000 1.100 111 Y CA -0.932 56.979 58.100 -0.315 0.000 1.034 111 Y CB 1.722 39.863 38.460 -0.533 0.000 1.285 111 Y HN 0.976 nan 8.280 nan 0.000 0.440 112 C N 3.284 122.209 119.300 -0.625 0.000 3.321 112 C HA 0.659 5.120 4.460 0.000 0.000 0.329 112 C C -0.889 173.815 174.990 -0.476 0.000 1.394 112 C CA -0.895 57.807 59.018 -0.525 0.000 1.291 112 C CB 1.763 29.282 27.740 -0.369 0.000 1.606 112 C HN 0.835 nan 8.230 nan 0.000 0.463 113 E N 0.986 120.973 120.200 -0.356 0.000 2.376 113 E HA 0.523 4.873 4.350 0.000 0.000 0.254 113 E C 0.299 176.809 176.600 -0.149 0.000 1.213 113 E CA 0.042 56.337 56.400 -0.175 0.000 0.945 113 E CB 0.838 30.487 29.700 -0.086 0.000 1.057 113 E HN 0.963 nan 8.360 nan 0.000 0.479 114 K N 1.282 121.633 120.400 -0.081 0.000 2.098 114 K HA 0.456 4.776 4.320 0.000 0.000 0.261 114 K C -2.377 174.187 176.600 -0.059 0.000 0.987 114 K CA -1.425 54.799 56.287 -0.104 0.000 0.916 114 K CB -0.354 32.040 32.500 -0.176 0.000 1.039 114 K HN 0.223 nan 8.250 nan 0.000 0.455 115 P HA 0.298 nan 4.420 nan 0.000 0.274 115 P C 0.801 178.061 177.300 -0.068 0.000 1.256 115 P CA -0.596 62.463 63.100 -0.067 0.000 0.795 115 P CB 0.463 32.140 31.700 -0.038 0.000 1.038 116 I N -2.418 118.120 120.570 -0.054 0.000 3.059 116 I HA 0.378 4.548 4.170 0.000 0.000 0.270 116 I C 0.600 176.694 176.117 -0.038 0.000 1.238 116 I CA 0.496 61.764 61.300 -0.053 0.000 1.478 116 I CB -0.181 37.796 38.000 -0.038 0.000 1.097 116 I HN 0.170 nan 8.210 nan 0.000 0.455 117 A N 0.514 123.320 122.820 -0.022 0.000 2.536 117 A HA 0.547 4.867 4.320 0.000 0.000 0.293 117 A C 0.423 178.005 177.584 -0.004 0.000 1.119 117 A CA 0.032 52.059 52.037 -0.016 0.000 0.654 117 A CB 0.497 19.494 19.000 -0.004 0.000 1.291 117 A HN 0.062 nan 8.150 nan 0.000 0.439 118 T N 0.569 115.122 114.554 -0.001 0.000 3.044 118 T HA 0.176 4.526 4.350 0.000 0.000 0.255 118 T C 0.670 175.392 174.700 0.038 0.000 1.073 118 T CA 0.999 63.104 62.100 0.009 0.000 1.125 118 T CB -0.207 68.657 68.868 -0.006 0.000 0.908 118 T HN 0.700 nan 8.240 nan 0.000 0.480 119 N N -0.741 117.990 118.700 0.051 0.000 2.357 119 N HA 0.174 4.914 4.740 0.000 0.000 0.284 119 N C -0.097 175.503 175.510 0.149 0.000 1.236 119 N CA -0.518 52.587 53.050 0.092 0.000 0.774 119 N CB 1.517 40.041 38.487 0.063 0.000 1.534 119 N HN -0.145 nan 8.380 nan 0.000 0.478 120 F N 2.401 122.355 119.950 0.006 0.000 2.095 120 F HA -0.078 4.449 4.527 0.000 0.000 0.298 120 F C 1.878 177.680 175.800 0.004 0.000 1.104 120 F CA 1.747 59.752 58.000 0.009 0.000 1.232 120 F CB -0.322 38.688 39.000 0.018 0.000 0.987 120 F HN 0.660 nan 8.300 nan 0.000 0.475 121 E N 0.432 120.577 120.200 -0.092 0.000 2.049 121 E HA -0.263 4.088 4.350 0.000 0.000 0.198 121 E C 2.232 178.739 176.600 -0.156 0.000 1.007 121 E CA 1.897 58.184 56.400 -0.188 0.000 0.809 121 E CB -0.525 29.129 29.700 -0.076 0.000 0.749 121 E HN 0.564 nan 8.360 nan 0.000 0.450 122 E N -0.403 119.752 120.200 -0.074 0.000 2.051 122 E HA -0.189 4.161 4.350 0.000 0.000 0.192 122 E C 1.957 178.517 176.600 -0.067 0.000 0.991 122 E CA 1.168 57.533 56.400 -0.059 0.000 0.799 122 E CB -0.166 29.517 29.700 -0.029 0.000 0.748 122 E HN 0.274 nan 8.360 nan 0.000 0.449 123 A N 0.677 123.471 122.820 -0.042 0.000 1.883 123 A HA -0.192 4.128 4.320 0.000 0.000 0.217 123 A C 2.127 179.665 177.584 -0.077 0.000 1.186 123 A CA 1.345 53.371 52.037 -0.019 0.000 0.624 123 A CB -0.734 18.316 19.000 0.083 0.000 0.822 123 A HN 0.348 nan 8.150 nan 0.000 0.444 124 L N 0.067 121.165 121.223 -0.208 0.000 2.042 124 L HA -0.152 4.188 4.340 0.000 0.000 0.210 124 L C 2.237 179.009 176.870 -0.165 0.000 1.076 124 L CA 2.549 57.230 54.840 -0.265 0.000 0.749 124 L CB -0.685 41.030 42.059 -0.572 0.000 0.893 124 L HN 0.604 nan 8.230 nan 0.000 0.432 125 E N -1.138 118.972 120.200 -0.149 0.000 2.150 125 E HA -0.152 4.198 4.350 0.000 0.000 0.193 125 E C 2.050 178.596 176.600 -0.088 0.000 0.985 125 E CA 1.237 57.573 56.400 -0.107 0.000 0.814 125 E CB 0.115 29.759 29.700 -0.093 0.000 0.752 125 E HN 0.437 nan 8.360 nan 0.000 0.466 126 V N 0.479 120.342 119.914 -0.084 0.000 2.407 126 V HA -0.230 3.891 4.120 0.000 0.000 0.248 126 V C 2.397 178.422 176.094 -0.115 0.000 1.055 126 V CA 1.207 63.459 62.300 -0.079 0.000 1.049 126 V CB -0.431 31.357 31.823 -0.058 0.000 0.662 126 V HN 0.161 nan 8.190 nan 0.000 0.455 127 V N 0.081 119.927 119.914 -0.112 0.000 2.295 127 V HA -0.285 3.835 4.120 0.000 0.000 0.246 127 V C 2.470 178.480 176.094 -0.139 0.000 1.049 127 V CA 2.197 64.409 62.300 -0.146 0.000 1.024 127 V CB -0.742 31.052 31.823 -0.048 0.000 0.648 127 V HN 0.538 nan 8.190 nan 0.000 0.447 128 K N -0.256 120.091 120.400 -0.088 0.000 2.097 128 K HA -0.131 4.189 4.320 0.000 0.000 0.206 128 K C 2.096 178.659 176.600 -0.061 0.000 1.049 128 K CA 1.257 57.508 56.287 -0.060 0.000 0.933 128 K CB -0.352 32.114 32.500 -0.056 0.000 0.717 128 K HN 0.278 nan 8.250 nan 0.000 0.442 129 L N 0.616 121.794 121.223 -0.075 0.000 2.012 129 L HA -0.241 4.099 4.340 0.000 0.000 0.210 129 L C 2.475 179.306 176.870 -0.065 0.000 1.073 129 L CA 1.583 56.385 54.840 -0.063 0.000 0.748 129 L CB -0.418 41.602 42.059 -0.064 0.000 0.891 129 L HN 0.224 nan 8.230 nan 0.000 0.431 130 A N -0.507 122.238 122.820 -0.125 0.000 1.898 130 A HA -0.193 4.127 4.320 0.000 0.000 0.216 130 A C 2.070 179.635 177.584 -0.031 0.000 1.181 130 A CA 1.809 53.761 52.037 -0.142 0.000 0.620 130 A CB -0.564 18.149 19.000 -0.478 0.000 0.819 130 A HN 0.449 nan 8.150 nan 0.000 0.442 131 N N -0.034 118.644 118.700 -0.036 0.000 2.106 131 N HA -0.118 4.622 4.740 0.000 0.000 0.188 131 N C 2.096 177.640 175.510 0.058 0.000 1.029 131 N CA 1.541 54.644 53.050 0.089 0.000 0.848 131 N CB -0.618 37.922 38.487 0.088 0.000 1.007 131 N HN 0.452 nan 8.380 nan 0.000 0.423 132 S N 0.866 116.577 115.700 0.018 0.000 2.351 132 S HA -0.103 4.367 4.470 0.000 0.000 0.220 132 S C 1.757 176.365 174.600 0.013 0.000 1.035 132 S CA 1.133 59.339 58.200 0.011 0.000 1.031 132 S CB -0.056 63.141 63.200 -0.006 0.000 0.928 132 S HN 0.156 nan 8.310 nan 0.000 0.433 133 K N 0.124 120.529 120.400 0.007 0.000 2.152 133 K HA -0.062 4.258 4.320 0.000 0.000 0.206 133 K C 1.572 178.182 176.600 0.017 0.000 1.048 133 K CA 0.996 57.285 56.287 0.003 0.000 0.933 133 K CB -0.836 31.660 32.500 -0.008 0.000 0.721 133 K HN 0.662 nan 8.250 nan 0.000 0.447 134 G N 1.163 109.993 108.800 0.050 0.000 2.132 134 G HA2 -0.246 3.715 3.960 0.000 0.000 0.234 134 G HA3 -0.246 3.715 3.960 0.000 0.000 0.234 134 G C 0.288 175.240 174.900 0.086 0.000 0.989 134 G CA 0.354 45.493 45.100 0.066 0.000 0.676 134 G HN 0.255 nan 8.290 nan 0.000 0.522 135 V N -2.692 117.286 119.914 0.107 0.000 3.133 135 V HA 0.740 4.860 4.120 0.000 0.000 0.305 135 V C 0.581 176.892 176.094 0.361 0.000 1.084 135 V CA -1.165 61.229 62.300 0.156 0.000 1.089 135 V CB 1.262 33.138 31.823 0.088 0.000 1.073 135 V HN 0.157 nan 8.190 nan 0.000 0.477 136 K N 2.267 122.986 120.400 0.531 0.000 2.174 136 K HA 0.459 4.779 4.320 0.000 0.000 0.275 136 K C -0.453 176.522 176.600 0.625 0.000 1.015 136 K CA 0.001 56.505 56.287 0.361 0.000 0.933 136 K CB 1.080 33.516 32.500 -0.106 0.000 1.025 136 K HN 1.206 nan 8.250 nan 0.000 0.463 137 H N -2.184 117.208 119.070 0.537 0.000 2.895 137 H HA 0.794 5.350 4.556 0.000 0.000 0.373 137 H C -0.200 175.340 175.328 0.353 0.000 1.174 137 H CA -1.288 54.995 56.048 0.392 0.000 1.144 137 H CB 1.994 31.900 29.762 0.240 0.000 1.793 137 H HN 0.659 nan 8.280 nan 0.000 0.551 138 G N -0.284 108.564 108.800 0.080 0.000 2.698 138 G HA2 0.482 4.442 3.960 0.000 0.000 0.293 138 G HA3 0.482 4.442 3.960 0.000 0.000 0.293 138 G C -1.536 173.259 174.900 -0.175 0.000 1.437 138 G CA -0.627 44.544 45.100 0.118 0.000 0.852 138 G HN 0.737 nan 8.290 nan 0.000 0.499 139 T N -0.627 113.817 114.554 -0.184 0.000 2.903 139 T HA 0.545 4.895 4.350 0.000 0.000 0.299 139 T C -0.427 174.013 174.700 -0.434 0.000 1.093 139 T CA -0.322 61.527 62.100 -0.418 0.000 1.002 139 T CB 1.672 70.412 68.868 -0.214 0.000 1.127 139 T HN 0.606 nan 8.240 nan 0.000 0.488 140 V N 4.867 124.487 119.914 -0.489 0.000 2.637 140 V HA 0.324 4.444 4.120 0.000 0.000 0.296 140 V C 0.241 176.080 176.094 -0.425 0.000 1.046 140 V CA 0.141 62.225 62.300 -0.361 0.000 1.066 140 V CB 1.159 32.916 31.823 -0.111 0.000 0.968 140 V HN 0.815 nan 8.190 nan 0.000 0.483 141 Q N 3.167 122.614 119.800 -0.588 0.000 3.075 141 Q HA 0.159 4.499 4.340 0.000 0.000 0.318 141 Q C 0.359 176.086 176.000 -0.456 0.000 0.907 141 Q CA -0.322 54.911 55.803 -0.951 0.000 0.882 141 Q CB 0.898 28.750 28.738 -1.478 0.000 1.386 141 Q HN 0.994 nan 8.270 nan 0.000 0.408 142 D N 0.707 120.981 120.400 -0.209 0.000 2.117 142 D HA -0.187 4.453 4.640 0.000 0.000 0.198 142 D C 1.071 177.371 176.300 -0.001 0.000 0.982 142 D CA 0.826 54.644 54.000 -0.303 0.000 0.828 142 D CB 0.278 40.720 40.800 -0.598 0.000 0.967 142 D HN 0.162 nan 8.370 nan 0.000 0.464 143 K N -0.344 120.169 120.400 0.189 0.000 2.286 143 K HA -0.100 4.221 4.320 0.000 0.000 0.203 143 K C 2.016 178.717 176.600 0.170 0.000 1.045 143 K CA 0.258 56.656 56.287 0.185 0.000 0.935 143 K CB -0.067 32.538 32.500 0.176 0.000 0.737 143 K HN 0.049 nan 8.250 nan 0.000 0.460 144 L N -0.492 120.866 121.223 0.224 0.000 2.201 144 L HA -0.078 4.262 4.340 0.000 0.000 0.212 144 L C 1.106 177.874 176.870 -0.169 0.000 1.105 144 L CA 1.619 56.459 54.840 -0.000 0.000 0.775 144 L CB -0.243 41.740 42.059 -0.127 0.000 0.913 144 L HN 0.083 nan 8.230 nan 0.000 0.440 145 F N -1.532 118.359 119.950 -0.098 0.000 2.664 145 F HA 0.194 4.722 4.527 0.000 0.000 0.303 145 F C 0.906 176.659 175.800 -0.079 0.000 1.092 145 F CA -0.564 57.386 58.000 -0.083 0.000 1.305 145 F CB -0.288 38.633 39.000 -0.133 0.000 1.054 145 F HN -0.220 nan 8.300 nan 0.000 0.565 146 L N 2.228 123.485 121.223 0.057 0.000 2.410 146 L HA 0.069 4.410 4.340 0.000 0.000 0.273 146 L C -1.113 175.684 176.870 -0.121 0.000 1.152 146 L CA -1.446 53.392 54.840 -0.003 0.000 0.855 146 L CB 0.615 42.695 42.059 0.036 0.000 1.129 146 L HN -0.113 nan 8.230 nan 0.000 0.463 147 P HA -0.171 nan 4.420 nan 0.000 0.216 147 P C 1.431 178.515 177.300 -0.360 0.000 1.150 147 P CA 1.347 64.024 63.100 -0.705 0.000 0.843 147 P CB 0.200 31.334 31.700 -0.943 0.000 0.787 148 G N -0.427 108.279 108.800 -0.157 0.000 2.446 148 G HA2 -0.224 3.737 3.960 0.000 0.000 0.217 148 G HA3 -0.224 3.737 3.960 0.000 0.000 0.217 148 G C 1.465 176.373 174.900 0.013 0.000 1.168 148 G CA 0.596 45.680 45.100 -0.028 0.000 0.771 148 G HN 0.241 nan 8.290 nan 0.000 0.551 149 L N -0.613 120.606 121.223 -0.007 0.000 2.162 149 L HA 0.112 4.452 4.340 0.000 0.000 0.205 149 L C 2.842 179.692 176.870 -0.035 0.000 1.086 149 L CA 0.663 55.491 54.840 -0.019 0.000 0.778 149 L CB -0.278 41.747 42.059 -0.057 0.000 0.928 149 L HN 0.151 nan 8.230 nan 0.000 0.446 150 K N 0.604 120.969 120.400 -0.057 0.000 2.127 150 K HA -0.234 4.086 4.320 0.000 0.000 0.208 150 K C 2.066 178.715 176.600 0.081 0.000 1.047 150 K CA 1.644 57.923 56.287 -0.014 0.000 0.927 150 K CB 0.034 32.534 32.500 0.001 0.000 0.716 150 K HN 0.204 nan 8.250 nan 0.000 0.450 151 K N 0.014 120.458 120.400 0.075 0.000 2.062 151 K HA -0.061 4.260 4.320 0.000 0.000 0.205 151 K C 1.904 178.645 176.600 0.236 0.000 1.051 151 K CA 0.897 57.291 56.287 0.178 0.000 0.941 151 K CB -0.025 32.547 32.500 0.119 0.000 0.719 151 K HN 0.012 nan 8.250 nan 0.000 0.440 152 I N 1.626 122.309 120.570 0.188 0.000 2.151 152 I HA -0.281 3.889 4.170 0.000 0.000 0.243 152 I C 2.451 178.707 176.117 0.232 0.000 1.080 152 I CA 1.484 62.941 61.300 0.262 0.000 1.339 152 I CB -1.445 36.673 38.000 0.198 0.000 1.039 152 I HN 0.129 nan 8.210 nan 0.000 0.409 153 A N 0.390 123.279 122.820 0.115 0.000 1.908 153 A HA -0.279 4.041 4.320 0.000 0.000 0.218 153 A C 2.315 179.992 177.584 0.155 0.000 1.181 153 A CA 1.759 53.844 52.037 0.079 0.000 0.627 153 A CB -1.156 17.856 19.000 0.020 0.000 0.818 153 A HN 0.431 nan 8.150 nan 0.000 0.445 154 F N 0.503 120.484 119.950 0.052 0.000 2.186 154 F HA -0.072 4.455 4.527 0.000 0.000 0.299 154 F C 1.747 177.575 175.800 0.048 0.000 1.090 154 F CA 1.432 59.459 58.000 0.045 0.000 1.307 154 F CB -0.252 38.770 39.000 0.037 0.000 1.019 154 F HN 0.134 nan 8.300 nan 0.000 0.489 155 L N 0.121 121.257 121.223 -0.145 0.000 2.056 155 L HA -0.147 4.193 4.340 0.000 0.000 0.207 155 L C 2.770 179.603 176.870 -0.062 0.000 1.078 155 L CA 1.528 56.171 54.840 -0.328 0.000 0.749 155 L CB -0.743 41.103 42.059 -0.355 0.000 0.901 155 L HN 0.123 nan 8.230 nan 0.000 0.433 156 R N 0.523 121.176 120.500 0.255 0.000 2.082 156 R HA -0.200 4.140 4.340 0.000 0.000 0.234 156 R C 1.924 178.290 176.300 0.109 0.000 1.136 156 R CA 2.226 58.512 56.100 0.311 0.000 0.935 156 R CB -0.286 30.150 30.300 0.226 0.000 0.842 156 R HN 0.290 nan 8.270 nan 0.000 0.430 157 D N 0.295 120.717 120.400 0.036 0.000 2.123 157 D HA -0.137 4.503 4.640 0.000 0.000 0.196 157 D C 1.765 178.045 176.300 -0.034 0.000 0.992 157 D CA 1.945 55.952 54.000 0.013 0.000 0.833 157 D CB -0.250 40.572 40.800 0.038 0.000 0.954 157 D HN 0.416 nan 8.370 nan 0.000 0.455 158 S N -0.893 114.715 115.700 -0.154 0.000 2.650 158 S HA 0.291 4.761 4.470 0.000 0.000 0.219 158 S C 1.597 176.141 174.600 -0.094 0.000 0.960 158 S CA 0.571 58.663 58.200 -0.180 0.000 0.925 158 S CB 0.245 63.170 63.200 -0.458 0.000 0.775 158 S HN 0.347 nan 8.310 nan 0.000 0.525 159 G N 0.847 109.630 108.800 -0.028 0.000 2.143 159 G HA2 -0.348 3.612 3.960 0.000 0.000 0.249 159 G HA3 -0.348 3.612 3.960 0.000 0.000 0.249 159 G C 0.236 175.155 174.900 0.031 0.000 0.981 159 G CA 0.237 45.351 45.100 0.024 0.000 0.665 159 G HN 0.601 nan 8.290 nan 0.000 0.528 160 F N 0.696 120.529 119.950 -0.196 0.000 2.126 160 F HA 0.118 4.645 4.527 0.000 0.000 0.299 160 F C 2.176 177.860 175.800 -0.193 0.000 1.096 160 F CA 2.216 60.048 58.000 -0.279 0.000 1.255 160 F CB -0.260 38.421 39.000 -0.533 0.000 0.997 160 F HN 0.141 nan 8.300 nan 0.000 0.479 161 F N 0.679 120.622 119.950 -0.012 0.000 2.502 161 F HA 0.176 4.703 4.527 0.000 0.000 0.298 161 F C 2.160 177.873 175.800 -0.146 0.000 1.111 161 F CA 0.847 58.793 58.000 -0.090 0.000 1.445 161 F CB -1.078 37.969 39.000 0.077 0.000 1.081 161 F HN 0.275 nan 8.300 nan 0.000 0.558 162 G N 0.288 109.083 108.800 -0.009 0.000 2.675 162 G HA2 -0.387 3.573 3.960 0.000 0.000 0.312 162 G HA3 -0.387 3.573 3.960 0.000 0.000 0.312 162 G C 0.516 175.341 174.900 -0.125 0.000 1.186 162 G CA 0.288 45.220 45.100 -0.279 0.000 0.965 162 G HN 0.363 nan 8.290 nan 0.000 0.548 163 R N 0.675 121.083 120.500 -0.153 0.000 2.246 163 R HA 0.582 4.922 4.340 0.000 0.000 0.332 163 R C 0.470 176.754 176.300 -0.026 0.000 0.974 163 R CA -0.721 55.338 56.100 -0.069 0.000 0.837 163 R CB 0.211 30.453 30.300 -0.096 0.000 1.145 163 R HN 0.447 nan 8.270 nan 0.000 0.467 164 I N 5.635 126.195 120.570 -0.017 0.000 2.710 164 I HA -0.150 4.020 4.170 0.000 0.000 0.286 164 I C 1.036 177.101 176.117 -0.086 0.000 1.181 164 I CA 0.465 61.707 61.300 -0.096 0.000 1.430 164 I CB 0.740 38.646 38.000 -0.156 0.000 1.367 164 I HN 0.690 nan 8.210 nan 0.000 0.577 165 L N 4.192 125.353 121.223 -0.104 0.000 2.614 165 L HA 0.206 4.546 4.340 0.000 0.000 0.185 165 L C 0.354 177.167 176.870 -0.094 0.000 1.098 165 L CA 0.282 55.078 54.840 -0.074 0.000 0.852 165 L CB 0.166 42.199 42.059 -0.042 0.000 1.213 165 L HN 0.729 nan 8.230 nan 0.000 0.491 166 S N -0.888 114.736 115.700 -0.127 0.000 2.556 166 S HA 0.718 5.188 4.470 0.000 0.000 0.271 166 S C -0.943 173.532 174.600 -0.210 0.000 1.135 166 S CA -0.722 57.402 58.200 -0.127 0.000 0.858 166 S CB 2.526 65.691 63.200 -0.058 0.000 1.114 166 S HN -0.158 nan 8.310 nan 0.000 0.468 167 V N 1.554 121.333 119.914 -0.225 0.000 2.540 167 V HA 0.627 4.747 4.120 0.000 0.000 0.302 167 V C -0.389 175.658 176.094 -0.077 0.000 1.035 167 V CA -0.697 61.446 62.300 -0.262 0.000 0.873 167 V CB 1.758 33.239 31.823 -0.570 0.000 0.992 167 V HN 0.910 nan 8.190 nan 0.000 0.428 168 R N 2.161 122.640 120.500 -0.036 0.000 2.439 168 R HA 0.689 5.029 4.340 0.000 0.000 0.310 168 R C -0.021 176.204 176.300 -0.125 0.000 0.955 168 R CA -0.337 55.747 56.100 -0.026 0.000 0.853 168 R CB 2.113 32.404 30.300 -0.015 0.000 1.171 168 R HN 0.941 nan 8.270 nan 0.000 0.449 169 G N 1.807 110.450 108.800 -0.262 0.000 2.461 169 G HA2 0.394 4.354 3.960 0.000 0.000 0.323 169 G HA3 0.394 4.354 3.960 0.000 0.000 0.323 169 G C -0.846 173.763 174.900 -0.485 0.000 1.229 169 G CA -0.286 44.370 45.100 -0.740 0.000 0.941 169 G HN 0.349 nan 8.290 nan 0.000 0.477 170 E N 1.363 121.284 120.200 -0.464 0.000 2.255 170 E HA 0.308 4.658 4.350 0.000 0.000 0.256 170 E C -1.777 174.725 176.600 -0.163 0.000 0.887 170 E CA -0.558 55.705 56.400 -0.228 0.000 0.782 170 E CB 2.409 32.028 29.700 -0.135 0.000 1.214 170 E HN 0.366 nan 8.360 nan 0.000 0.417 171 F N 1.858 121.658 119.950 -0.249 0.000 2.495 171 F HA 0.690 5.217 4.527 0.000 0.000 0.327 171 F C 0.407 176.130 175.800 -0.129 0.000 1.103 171 F CA 0.332 58.249 58.000 -0.139 0.000 0.949 171 F CB 1.525 40.522 39.000 -0.005 0.000 1.142 171 F HN 0.576 nan 8.300 nan 0.000 0.457 172 G N 3.537 111.615 108.800 -1.203 0.000 2.384 172 G HA2 0.198 4.158 3.960 0.000 0.000 0.668 172 G HA3 0.198 4.158 3.960 0.000 0.000 0.668 172 G C -2.054 172.717 174.900 -0.214 0.000 1.280 172 G CA -0.392 44.109 45.100 -0.998 0.000 0.992 172 G HN 1.545 nan 8.290 nan 0.000 0.512 173 Y N -4.212 115.993 120.300 -0.157 0.000 2.725 173 Y HA 0.730 5.280 4.550 0.000 0.000 0.333 173 Y C -0.739 175.211 175.900 0.083 0.000 1.242 173 Y CA -1.978 56.117 58.100 -0.007 0.000 1.059 173 Y CB 0.997 39.456 38.460 -0.002 0.000 1.306 173 Y HN 0.950 nan 8.280 nan 0.000 0.454 174 W N 3.685 124.996 121.300 0.018 0.000 2.481 174 W HA 0.548 5.208 4.660 -0.000 0.000 0.320 174 W C -1.386 174.942 176.519 -0.318 0.000 1.209 174 W CA -0.649 56.593 57.345 -0.171 0.000 1.400 174 W CB 1.180 30.499 29.460 -0.236 0.000 1.361 174 W HN 0.441 nan 8.180 nan 0.000 0.456 175 V N 8.583 128.236 119.914 -0.434 0.000 2.455 175 V HA 0.015 4.136 4.120 0.000 0.000 0.273 175 V C 0.360 176.254 176.094 -0.333 0.000 1.045 175 V CA -0.348 61.750 62.300 -0.336 0.000 0.976 175 V CB -0.018 31.575 31.823 -0.383 0.000 0.993 175 V HN 0.192 nan 8.190 nan 0.000 0.475 176 F N 3.303 123.334 119.950 0.135 0.000 2.518 176 F HA 0.146 4.673 4.527 0.000 0.000 0.359 176 F C 1.437 177.254 175.800 0.029 0.000 1.118 176 F CA -0.202 57.926 58.000 0.213 0.000 1.287 176 F CB 0.473 39.598 39.000 0.208 0.000 1.132 176 F HN 0.552 nan 8.300 nan 0.000 0.587 177 E N 1.072 121.452 120.200 0.300 0.000 2.347 177 E HA 0.115 4.465 4.350 0.000 0.000 0.196 177 E C 1.856 178.546 176.600 0.150 0.000 1.008 177 E CA 0.953 57.420 56.400 0.112 0.000 0.852 177 E CB -0.122 29.667 29.700 0.148 0.000 0.783 177 E HN 0.929 nan 8.360 nan 0.000 0.505 178 G N -0.669 108.178 108.800 0.079 0.000 2.213 178 G HA2 -0.263 3.697 3.960 0.000 0.000 0.226 178 G HA3 -0.263 3.697 3.960 0.000 0.000 0.226 178 G C 1.131 175.715 174.900 -0.527 0.000 0.992 178 G CA 0.128 45.215 45.100 -0.021 0.000 0.632 178 G HN 0.478 nan 8.290 nan 0.000 0.511 179 G N -0.013 108.230 108.800 -0.928 0.000 2.434 179 G HA2 0.060 4.020 3.960 0.000 0.000 0.214 179 G HA3 0.060 4.020 3.960 0.000 0.000 0.214 179 G C 1.392 175.658 174.900 -1.057 0.000 1.202 179 G CA 1.547 45.661 45.100 -1.642 0.000 0.788 179 G HN 0.672 nan 8.290 nan 0.000 0.539 180 W N -0.122 121.021 121.300 -0.262 0.000 2.842 180 W HA 0.439 5.099 4.660 -0.000 0.000 0.267 180 W C 0.940 177.325 176.519 -0.224 0.000 1.219 180 W CA -0.438 56.779 57.345 -0.213 0.000 1.458 180 W CB 0.679 30.035 29.460 -0.173 0.000 1.006 180 W HN 0.031 nan 8.180 nan 0.000 0.603 181 Q N 0.764 120.515 119.800 -0.083 0.000 2.359 181 Q HA 0.254 4.594 4.340 0.000 0.000 0.274 181 Q C -1.001 174.941 176.000 -0.095 0.000 1.074 181 Q CA -0.835 54.856 55.803 -0.186 0.000 0.810 181 Q CB 2.783 31.193 28.738 -0.546 0.000 1.342 181 Q HN -0.046 nan 8.270 nan 0.000 0.427 182 E N 1.037 121.216 120.200 -0.035 0.000 2.360 182 E HA 0.274 4.624 4.350 0.000 0.000 0.269 182 E C -0.536 176.141 176.600 0.129 0.000 1.022 182 E CA -0.257 56.163 56.400 0.033 0.000 0.887 182 E CB 0.853 30.572 29.700 0.031 0.000 0.990 182 E HN 0.620 nan 8.360 nan 0.000 0.426 183 A N 3.585 126.487 122.820 0.136 0.000 2.540 183 A HA -0.084 4.236 4.320 0.000 0.000 0.239 183 A C 0.549 178.212 177.584 0.132 0.000 1.061 183 A CA 0.042 52.168 52.037 0.147 0.000 0.758 183 A CB 0.270 19.306 19.000 0.060 0.000 0.991 183 A HN 0.696 nan 8.150 nan 0.000 0.502 184 Q N 0.786 120.680 119.800 0.157 0.000 2.435 184 Q HA 0.038 4.378 4.340 0.000 0.000 0.207 184 Q C 0.292 176.327 176.000 0.058 0.000 0.956 184 Q CA 1.087 56.973 55.803 0.138 0.000 0.917 184 Q CB 0.107 28.973 28.738 0.213 0.000 0.997 184 Q HN 0.694 nan 8.270 nan 0.000 0.497 185 R N 0.401 120.896 120.500 -0.009 0.000 2.686 185 R HA 0.440 4.780 4.340 0.000 0.000 0.286 185 R C -2.666 173.591 176.300 -0.071 0.000 0.969 185 R CA -2.294 53.749 56.100 -0.096 0.000 0.898 185 R CB 1.070 31.196 30.300 -0.290 0.000 1.183 185 R HN -0.107 nan 8.270 nan 0.000 0.456 186 P HA -0.089 nan 4.420 nan 0.000 0.266 186 P C 0.611 177.800 177.300 -0.186 0.000 1.193 186 P CA 0.268 63.298 63.100 -0.117 0.000 0.770 186 P CB 0.719 32.362 31.700 -0.095 0.000 0.836 187 S N 2.945 118.619 115.700 -0.043 0.000 2.428 187 S HA -0.114 4.356 4.470 0.000 0.000 0.230 187 S C 1.772 176.339 174.600 -0.055 0.000 1.014 187 S CA 0.196 58.407 58.200 0.019 0.000 0.957 187 S CB -1.122 62.012 63.200 -0.110 0.000 0.784 187 S HN 0.708 nan 8.310 nan 0.000 0.499 188 W N 2.792 124.053 121.300 -0.065 0.000 2.325 188 W HA -0.156 4.503 4.660 -0.000 0.000 0.299 188 W C 1.046 177.505 176.519 -0.101 0.000 1.215 188 W CA 0.947 58.241 57.345 -0.084 0.000 1.244 188 W CB -1.437 27.978 29.460 -0.075 0.000 1.140 188 W HN 0.269 nan 8.180 nan 0.000 0.523 189 N N 0.666 118.755 118.700 -1.017 0.000 2.503 189 N HA -0.198 4.542 4.740 0.000 0.000 0.189 189 N C 0.214 175.121 175.510 -1.004 0.000 1.048 189 N CA 1.479 53.789 53.050 -1.233 0.000 0.905 189 N CB -0.529 37.013 38.487 -1.575 0.000 0.951 189 N HN 0.389 nan 8.380 nan 0.000 0.446 190 Y N -0.375 119.876 120.300 -0.082 0.000 2.641 190 Y HA 0.335 4.885 4.550 -0.000 0.000 0.248 190 Y C 0.231 176.233 175.900 0.169 0.000 1.170 190 Y CA -0.379 57.763 58.100 0.070 0.000 1.201 190 Y CB 0.631 39.161 38.460 0.117 0.000 1.232 190 Y HN -0.249 nan 8.280 nan 0.000 0.537 191 R N 0.436 121.052 120.500 0.192 0.000 2.393 191 R HA 0.152 4.492 4.340 0.000 0.000 0.315 191 R C 0.042 176.429 176.300 0.145 0.000 0.952 191 R CA -0.375 55.833 56.100 0.180 0.000 0.842 191 R CB 1.504 31.881 30.300 0.129 0.000 1.163 191 R HN 0.022 nan 8.270 nan 0.000 0.450 192 D N 2.356 122.832 120.400 0.126 0.000 2.117 192 D HA -0.184 4.457 4.640 0.000 0.000 0.197 192 D C 1.470 177.822 176.300 0.086 0.000 0.987 192 D CA 1.472 55.534 54.000 0.103 0.000 0.829 192 D CB 0.589 41.437 40.800 0.081 0.000 0.961 192 D HN 0.609 nan 8.370 nan 0.000 0.460 193 E N -0.169 120.075 120.200 0.073 0.000 2.418 193 E HA -0.113 4.238 4.350 0.000 0.000 0.197 193 E C 0.366 176.993 176.600 0.045 0.000 1.026 193 E CA 0.682 57.110 56.400 0.048 0.000 0.862 193 E CB -0.179 29.542 29.700 0.036 0.000 0.799 193 E HN 0.341 nan 8.360 nan 0.000 0.518 194 D N 0.450 120.899 120.400 0.081 0.000 2.368 194 D HA 0.186 4.826 4.640 0.000 0.000 0.218 194 D C 0.902 177.264 176.300 0.103 0.000 1.112 194 D CA 0.569 54.614 54.000 0.076 0.000 0.834 194 D CB 0.726 41.601 40.800 0.125 0.000 0.953 194 D HN 0.381 nan 8.370 nan 0.000 0.505 195 G N 0.628 109.502 108.800 0.122 0.000 2.176 195 G HA2 -0.211 3.749 3.960 0.000 0.000 0.253 195 G HA3 -0.211 3.749 3.960 0.000 0.000 0.253 195 G C 0.817 175.914 174.900 0.327 0.000 0.979 195 G CA -0.095 45.093 45.100 0.147 0.000 0.641 195 G HN 0.575 nan 8.290 nan 0.000 0.530 196 G N -0.435 108.578 108.800 0.354 0.000 2.614 196 G HA2 0.691 4.651 3.960 0.000 0.000 0.239 196 G HA3 0.691 4.651 3.960 0.000 0.000 0.239 196 G C 0.601 175.563 174.900 0.102 0.000 1.240 196 G CA 0.711 45.918 45.100 0.179 0.000 0.842 196 G HN 1.897 nan 8.290 nan 0.000 0.584 197 G N -0.028 108.786 108.800 0.023 0.000 2.380 197 G HA2 0.081 4.041 3.960 0.000 0.000 0.250 197 G HA3 0.081 4.041 3.960 0.000 0.000 0.250 197 G C 0.427 175.373 174.900 0.077 0.000 1.578 197 G CA -0.127 45.020 45.100 0.080 0.000 0.974 197 G HN 0.831 nan 8.290 nan 0.000 0.680 198 I N 2.019 122.634 120.570 0.077 0.000 2.394 198 I HA -0.018 4.153 4.170 0.000 0.000 0.251 198 I C 2.421 178.515 176.117 -0.039 0.000 1.136 198 I CA 0.827 62.142 61.300 0.026 0.000 1.425 198 I CB -0.058 37.839 38.000 -0.171 0.000 1.079 198 I HN 0.668 nan 8.210 nan 0.000 0.425 199 I N 0.601 121.162 120.570 -0.014 0.000 2.113 199 I HA -0.307 3.864 4.170 0.000 0.000 0.238 199 I C 2.283 178.404 176.117 0.007 0.000 1.070 199 I CA 1.629 62.926 61.300 -0.004 0.000 1.332 199 I CB -0.401 37.621 38.000 0.036 0.000 1.044 199 I HN 0.268 nan 8.210 nan 0.000 0.402 200 L N -1.147 120.102 121.223 0.044 0.000 2.456 200 L HA 0.053 4.393 4.340 0.000 0.000 0.224 200 L C 0.993 177.867 176.870 0.006 0.000 1.148 200 L CA 1.061 55.921 54.840 0.033 0.000 0.825 200 L CB -0.892 41.204 42.059 0.061 0.000 0.937 200 L HN 0.126 nan 8.230 nan 0.000 0.450 204 C N 0.771 119.927 119.300 -0.241 0.000 2.413 204 C HA -0.184 4.276 4.460 0.000 0.000 0.276 204 C C 2.580 177.392 174.990 -0.296 0.000 1.248 204 C CA 2.059 60.944 59.018 -0.221 0.000 1.742 204 C CB -0.928 26.669 27.740 -0.239 0.000 2.017 204 C HN 0.678 nan 8.230 nan 0.000 0.481 205 H N -1.794 116.985 119.070 -0.483 0.000 2.333 205 H HA -0.114 4.442 4.556 0.000 0.000 0.302 205 H C 2.254 177.032 175.328 -0.916 0.000 1.075 205 H CA 2.004 57.594 56.048 -0.764 0.000 1.348 205 H CB -0.740 28.480 29.762 -0.904 0.000 1.393 205 H HN 0.734 nan 8.280 nan 0.000 0.509 206 W N 1.317 122.408 121.300 -0.348 0.000 2.392 206 W HA -0.137 4.523 4.660 0.000 0.000 0.279 206 W C 2.710 178.965 176.519 -0.439 0.000 1.225 206 W CA 0.036 57.145 57.345 -0.395 0.000 1.233 206 W CB -0.070 29.190 29.460 -0.334 0.000 1.122 206 W HN 0.064 nan 8.180 nan 0.000 0.561 207 R N 1.682 122.101 120.500 -0.133 0.000 2.097 207 R HA -0.270 4.070 4.340 0.000 0.000 0.236 207 R C 2.138 178.408 176.300 -0.051 0.000 1.135 207 R CA 2.623 58.676 56.100 -0.080 0.000 0.934 207 R CB -1.521 28.778 30.300 -0.001 0.000 0.846 207 R HN 0.482 nan 8.270 nan 0.000 0.431 208 Y N -1.597 118.697 120.300 -0.010 0.000 2.337 208 Y HA 0.123 4.673 4.550 0.000 0.000 0.293 208 Y C 1.905 177.784 175.900 -0.035 0.000 1.123 208 Y CA 0.560 58.657 58.100 -0.006 0.000 1.201 208 Y CB -0.940 37.523 38.460 0.005 0.000 1.011 208 Y HN -0.132 nan 8.280 nan 0.000 0.545 209 V N 1.699 121.390 119.914 -0.373 0.000 2.255 209 V HA -0.313 3.807 4.120 0.000 0.000 0.247 209 V C 2.588 178.542 176.094 -0.233 0.000 1.051 209 V CA 2.244 64.380 62.300 -0.273 0.000 1.018 209 V CB -0.826 30.816 31.823 -0.302 0.000 0.641 209 V HN 0.505 nan 8.190 nan 0.000 0.445 210 L N -0.366 120.769 121.223 -0.146 0.000 2.017 210 L HA -0.192 4.148 4.340 0.000 0.000 0.208 210 L C 2.433 179.284 176.870 -0.031 0.000 1.073 210 L CA 1.761 56.589 54.840 -0.020 0.000 0.745 210 L CB -0.921 41.066 42.059 -0.120 0.000 0.894 210 L HN 0.314 nan 8.230 nan 0.000 0.432 211 D N 0.124 120.503 120.400 -0.034 0.000 2.116 211 D HA -0.183 4.457 4.640 0.000 0.000 0.193 211 D C 2.053 178.333 176.300 -0.034 0.000 0.998 211 D CA 1.221 55.218 54.000 -0.003 0.000 0.836 211 D CB -0.227 40.594 40.800 0.035 0.000 0.951 211 D HN 0.268 nan 8.370 nan 0.000 0.449 212 N N -0.253 118.416 118.700 -0.052 0.000 2.250 212 N HA 0.009 4.749 4.740 0.000 0.000 0.181 212 N C 1.978 177.359 175.510 -0.215 0.000 1.017 212 N CA 0.363 53.368 53.050 -0.076 0.000 0.866 212 N CB 0.219 38.713 38.487 0.012 0.000 0.985 212 N HN 0.224 nan 8.380 nan 0.000 0.429 213 L N -1.060 119.895 121.223 -0.446 0.000 2.202 213 L HA 0.092 4.432 4.340 0.000 0.000 0.205 213 L C 1.041 177.433 176.870 -0.795 0.000 1.083 213 L CA 0.845 55.188 54.840 -0.829 0.000 0.790 213 L CB -0.018 41.143 42.059 -1.496 0.000 0.942 213 L HN 0.029 nan 8.230 nan 0.000 0.452 214 F N -1.221 118.676 119.950 -0.087 0.000 2.784 214 F HA 0.526 5.053 4.527 0.000 0.000 0.316 214 F C 0.879 176.644 175.800 -0.059 0.000 1.026 214 F CA -0.076 57.870 58.000 -0.089 0.000 1.188 214 F CB 0.391 39.320 39.000 -0.118 0.000 0.999 214 F HN -0.084 nan 8.300 nan 0.000 0.605 215 G N 0.504 109.363 108.800 0.100 0.000 2.329 215 G HA2 0.039 3.999 3.960 0.000 0.000 0.308 215 G HA3 0.039 3.999 3.960 0.000 0.000 0.308 215 G C -1.502 173.428 174.900 0.050 0.000 1.587 215 G CA -1.275 43.861 45.100 0.060 0.000 0.978 215 G HN 0.062 nan 8.290 nan 0.000 0.685 216 N N -0.355 118.367 118.700 0.037 0.000 2.359 216 N HA 0.235 4.975 4.740 0.000 0.000 0.261 216 N C 0.718 176.262 175.510 0.056 0.000 1.267 216 N CA -0.105 52.968 53.050 0.039 0.000 0.864 216 N CB 1.031 39.538 38.487 0.034 0.000 1.063 216 N HN 0.392 nan 8.380 nan 0.000 0.474 217 V N 2.945 122.894 119.914 0.060 0.000 2.572 217 V HA -0.056 4.064 4.120 0.000 0.000 0.291 217 V C 1.021 177.181 176.094 0.111 0.000 1.039 217 V CA 0.589 62.950 62.300 0.101 0.000 1.055 217 V CB 1.168 33.050 31.823 0.098 0.000 0.969 217 V HN 0.807 nan 8.190 nan 0.000 0.482 218 Q N 2.417 122.299 119.800 0.137 0.000 2.391 218 Q HA 0.230 4.570 4.340 0.000 0.000 0.243 218 Q C 0.332 176.417 176.000 0.143 0.000 0.874 218 Q CA 0.493 56.362 55.803 0.110 0.000 0.950 218 Q CB 1.227 30.011 28.738 0.076 0.000 1.103 218 Q HN 0.916 nan 8.270 nan 0.000 0.544 219 S N -1.283 114.552 115.700 0.225 0.000 2.565 219 S HA 0.554 5.024 4.470 0.000 0.000 0.274 219 S C -1.547 173.303 174.600 0.417 0.000 1.144 219 S CA -0.886 57.492 58.200 0.297 0.000 0.849 219 S CB 1.887 65.266 63.200 0.299 0.000 1.103 219 S HN -0.012 nan 8.310 nan 0.000 0.455 220 V N 1.214 121.294 119.914 0.277 0.000 2.925 220 V HA 0.904 5.024 4.120 0.000 0.000 0.311 220 V C -1.341 174.453 176.094 -0.501 0.000 1.104 220 V CA -0.480 61.744 62.300 -0.127 0.000 0.954 220 V CB 1.861 33.584 31.823 -0.167 0.000 1.022 220 V HN 1.266 nan 8.190 nan 0.000 0.427 221 V N 6.249 125.479 119.914 -1.141 0.000 2.604 221 V HA 0.827 4.947 4.120 0.000 0.000 0.305 221 V C -0.761 174.907 176.094 -0.710 0.000 1.043 221 V CA -0.116 61.534 62.300 -1.083 0.000 0.888 221 V CB 1.508 32.249 31.823 -1.803 0.000 0.995 221 V HN 1.221 nan 8.190 nan 0.000 0.429 222 C N 7.330 126.362 119.300 -0.447 0.000 2.891 222 C HA 0.663 5.123 4.460 0.000 0.000 0.342 222 C C -1.144 173.675 174.990 -0.286 0.000 1.126 222 C CA -0.680 58.129 59.018 -0.347 0.000 1.322 222 C CB 0.740 28.310 27.740 -0.284 0.000 1.763 222 C HN 0.974 nan 8.230 nan 0.000 0.491 223 I N 4.708 125.062 120.570 -0.359 0.000 2.498 223 I HA 0.704 4.874 4.170 0.000 0.000 0.290 223 I C 0.369 175.982 176.117 -0.840 0.000 1.032 223 I CA 0.122 61.037 61.300 -0.641 0.000 1.073 223 I CB 1.823 39.630 38.000 -0.322 0.000 1.251 223 I HN 0.867 nan 8.210 nan 0.000 0.426 224 G N 4.286 111.961 108.800 -1.875 0.000 2.552 224 G HA2 0.487 4.447 3.960 0.000 0.000 0.318 224 G HA3 0.487 4.447 3.960 0.000 0.000 0.318 224 G C -1.480 172.924 174.900 -0.828 0.000 1.240 224 G CA -0.517 43.742 45.100 -1.400 0.000 1.002 224 G HN 0.631 nan 8.290 nan 0.000 0.493 225 N N -2.276 116.266 118.700 -0.263 0.000 2.710 225 N HA 0.392 5.132 4.740 0.000 0.000 0.257 225 N C -1.308 174.275 175.510 0.121 0.000 1.327 225 N CA -0.520 52.575 53.050 0.076 0.000 0.861 225 N CB 1.880 40.421 38.487 0.090 0.000 1.532 225 N HN 0.296 nan 8.380 nan 0.000 0.499 226 T N 1.624 116.276 114.554 0.163 0.000 2.910 226 T HA 0.204 4.554 4.350 0.000 0.000 0.323 226 T C -0.017 174.729 174.700 0.076 0.000 1.091 226 T CA -0.288 61.885 62.100 0.122 0.000 0.960 226 T CB 0.423 69.370 68.868 0.132 0.000 1.024 226 T HN 0.391 nan 8.240 nan 0.000 0.509 227 D N 1.865 122.291 120.400 0.044 0.000 2.183 227 D HA 0.019 4.659 4.640 0.000 0.000 0.203 227 D C 0.607 176.914 176.300 0.012 0.000 0.969 227 D CA 0.966 54.981 54.000 0.026 0.000 0.842 227 D CB 0.337 41.130 40.800 -0.011 0.000 0.957 227 D HN 0.422 nan 8.370 nan 0.000 0.484 228 I N 1.488 122.047 120.570 -0.019 0.000 2.389 228 I HA 0.142 4.312 4.170 0.000 0.000 0.288 228 I C -1.762 174.326 176.117 -0.047 0.000 0.999 228 I CA -1.816 59.462 61.300 -0.038 0.000 1.129 228 I CB 1.970 39.905 38.000 -0.108 0.000 1.288 228 I HN -0.249 nan 8.210 nan 0.000 0.444 229 P HA 0.080 nan 4.420 nan 0.000 0.230 229 P C 0.212 177.425 177.300 -0.146 0.000 1.168 229 P CA 0.779 63.844 63.100 -0.058 0.000 0.793 229 P CB 1.029 32.711 31.700 -0.030 0.000 0.851 230 E N -0.093 119.988 120.200 -0.197 0.000 2.246 230 E HA 0.428 4.778 4.350 0.000 0.000 0.266 230 E C -0.555 175.779 176.600 -0.445 0.000 0.880 230 E CA -0.630 55.558 56.400 -0.352 0.000 0.762 230 E CB 1.773 31.303 29.700 -0.282 0.000 1.180 230 E HN -0.107 nan 8.360 nan 0.000 0.416 231 R N 2.084 122.108 120.500 -0.793 0.000 2.950 231 R HA 0.573 4.913 4.340 0.000 0.000 0.253 231 R C -1.097 174.799 176.300 -0.674 0.000 1.168 231 R CA -0.781 54.944 56.100 -0.625 0.000 1.014 231 R CB 1.229 31.199 30.300 -0.550 0.000 1.228 231 R HN 0.273 nan 8.270 nan 0.000 0.487 232 F N 0.616 120.502 119.950 -0.108 0.000 2.477 232 F HA 0.241 4.768 4.527 0.000 0.000 0.335 232 F C 0.093 176.043 175.800 0.250 0.000 1.130 232 F CA -0.990 57.058 58.000 0.080 0.000 0.948 232 F CB 1.281 40.257 39.000 -0.040 0.000 1.154 232 F HN 0.319 nan 8.300 nan 0.000 0.439 233 D N 1.811 122.462 120.400 0.419 0.000 2.560 233 D HA -0.116 4.524 4.640 0.000 0.000 0.226 233 D C 1.162 177.552 176.300 0.150 0.000 1.222 233 D CA 0.783 54.895 54.000 0.187 0.000 0.880 233 D CB 0.649 41.517 40.800 0.114 0.000 1.234 233 D HN 0.592 nan 8.370 nan 0.000 0.515 234 E N 0.254 120.505 120.200 0.085 0.000 2.333 234 E HA -0.208 4.142 4.350 0.000 0.000 0.200 234 E C 0.990 177.628 176.600 0.064 0.000 1.010 234 E CA 1.171 57.612 56.400 0.068 0.000 0.841 234 E CB 0.013 29.744 29.700 0.051 0.000 0.757 234 E HN 0.317 nan 8.360 nan 0.000 0.508 235 Q N -1.279 118.563 119.800 0.070 0.000 2.188 235 Q HA 0.304 4.644 4.340 0.000 0.000 0.212 235 Q C 0.665 176.718 176.000 0.089 0.000 0.846 235 Q CA 0.461 56.302 55.803 0.064 0.000 0.989 235 Q CB 1.085 29.853 28.738 0.049 0.000 1.114 235 Q HN 0.260 nan 8.270 nan 0.000 0.488 236 G N 0.560 109.436 108.800 0.128 0.000 2.153 236 G HA2 -0.316 3.644 3.960 0.000 0.000 0.252 236 G HA3 -0.316 3.644 3.960 0.000 0.000 0.252 236 G C -0.079 174.995 174.900 0.289 0.000 0.994 236 G CA 0.051 45.258 45.100 0.179 0.000 0.698 236 G HN 0.206 nan 8.290 nan 0.000 0.521 237 K N 0.879 121.413 120.400 0.223 0.000 2.183 237 K HA 0.324 4.645 4.320 0.000 0.000 0.274 237 K C 0.860 177.502 176.600 0.070 0.000 1.009 237 K CA -0.665 55.712 56.287 0.149 0.000 0.888 237 K CB 1.164 33.718 32.500 0.090 0.000 1.078 237 K HN 0.498 nan 8.250 nan 0.000 0.459 238 K N 2.862 123.147 120.400 -0.191 0.000 2.202 238 K HA 0.164 4.484 4.320 0.000 0.000 0.264 238 K C -0.709 175.797 176.600 -0.156 0.000 1.010 238 K CA -0.203 55.742 56.287 -0.569 0.000 0.940 238 K CB 0.478 32.443 32.500 -0.892 0.000 0.983 238 K HN 0.576 nan 8.250 nan 0.000 0.475 239 Y N -1.849 118.273 120.300 -0.297 0.000 2.609 239 Y HA 0.399 4.949 4.550 0.000 0.000 0.336 239 Y C -1.337 174.487 175.900 -0.127 0.000 1.129 239 Y CA -1.611 56.399 58.100 -0.151 0.000 1.040 239 Y CB 1.138 39.548 38.460 -0.083 0.000 1.310 239 Y HN 0.573 nan 8.280 nan 0.000 0.460 240 K N 2.284 122.693 120.400 0.014 0.000 2.349 240 K HA 0.651 4.971 4.320 0.000 0.000 0.289 240 K C -0.515 176.114 176.600 0.048 0.000 1.064 240 K CA 0.114 56.380 56.287 -0.035 0.000 0.947 240 K CB 0.408 32.919 32.500 0.019 0.000 1.007 240 K HN 0.874 nan 8.250 nan 0.000 0.478 241 A N 3.999 126.767 122.820 -0.085 0.000 2.347 241 A HA 0.198 4.518 4.320 0.000 0.000 0.287 241 A C 0.848 178.494 177.584 0.103 0.000 1.199 241 A CA -0.018 52.052 52.037 0.054 0.000 0.851 241 A CB -0.106 18.861 19.000 -0.056 0.000 1.118 241 A HN 0.938 nan 8.150 nan 0.000 0.525 242 T N -0.215 114.433 114.554 0.158 0.000 2.990 242 T HA 0.467 4.817 4.350 0.000 0.000 0.250 242 T C 0.844 175.631 174.700 0.144 0.000 1.041 242 T CA 0.596 62.771 62.100 0.125 0.000 1.010 242 T CB -0.127 68.803 68.868 0.104 0.000 1.003 242 T HN 1.041 nan 8.240 nan 0.000 0.499 243 A N 3.277 126.201 122.820 0.174 0.000 2.386 243 A HA 0.439 4.759 4.320 0.000 0.000 0.248 243 A C 0.337 178.043 177.584 0.203 0.000 1.082 243 A CA -0.552 51.589 52.037 0.172 0.000 0.789 243 A CB 0.023 19.096 19.000 0.121 0.000 1.025 243 A HN 0.620 nan 8.150 nan 0.000 0.490 244 D N 1.379 121.916 120.400 0.229 0.000 2.401 244 D HA 0.046 4.686 4.640 0.000 0.000 0.254 244 D C -0.570 175.806 176.300 0.127 0.000 1.192 244 D CA 0.084 54.197 54.000 0.190 0.000 0.885 244 D CB 1.070 41.968 40.800 0.163 0.000 1.147 244 D HN 0.529 nan 8.370 nan 0.000 0.478 245 D N 0.297 120.770 120.400 0.122 0.000 2.398 245 D HA 0.050 4.691 4.640 0.000 0.000 0.210 245 D C -0.362 175.906 176.300 -0.053 0.000 1.094 245 D CA -0.362 53.752 54.000 0.190 0.000 0.839 245 D CB 0.397 41.378 40.800 0.302 0.000 0.963 245 D HN 0.159 nan 8.370 nan 0.000 0.506 246 S N -0.802 114.809 115.700 -0.148 0.000 2.546 246 S HA 0.839 5.309 4.470 0.000 0.000 0.274 246 S C -1.163 173.167 174.600 -0.451 0.000 1.121 246 S CA -0.583 57.417 58.200 -0.334 0.000 0.887 246 S CB 2.127 65.187 63.200 -0.233 0.000 1.094 246 S HN 0.452 nan 8.310 nan 0.000 0.474 247 A N 1.531 123.913 122.820 -0.729 0.000 2.606 247 A HA 0.832 5.152 4.320 0.000 0.000 0.293 247 A C -2.371 174.629 177.584 -0.974 0.000 1.082 247 A CA -0.727 50.889 52.037 -0.701 0.000 0.685 247 A CB 1.130 19.872 19.000 -0.430 0.000 1.284 247 A HN 0.764 nan 8.150 nan 0.000 0.408 248 Y N 0.074 120.224 120.300 -0.250 0.000 2.373 248 Y HA 0.621 5.172 4.550 0.000 0.000 0.327 248 Y C 0.343 176.055 175.900 -0.313 0.000 1.036 248 Y CA -0.314 57.671 58.100 -0.192 0.000 1.265 248 Y CB 1.818 40.234 38.460 -0.073 0.000 1.108 248 Y HN 0.958 nan 8.280 nan 0.000 0.471 249 A N 1.774 124.331 122.820 -0.438 0.000 2.350 249 A HA 0.915 5.235 4.320 0.000 0.000 0.324 249 A C -0.465 176.618 177.584 -0.834 0.000 1.118 249 A CA -0.706 50.943 52.037 -0.647 0.000 0.783 249 A CB 1.126 19.690 19.000 -0.727 0.000 1.236 249 A HN 0.513 nan 8.150 nan 0.000 0.457 250 T N 1.645 115.761 114.554 -0.730 0.000 2.829 250 T HA 0.680 5.030 4.350 0.000 0.000 0.280 250 T C -1.111 173.279 174.700 -0.517 0.000 0.999 250 T CA 0.097 61.996 62.100 -0.336 0.000 0.983 250 T CB 0.465 69.330 68.868 -0.005 0.000 0.968 250 T HN 0.355 nan 8.240 nan 0.000 0.446 251 F N 1.235 121.260 119.950 0.125 0.000 2.551 251 F HA 0.475 5.003 4.527 0.000 0.000 0.316 251 F C 0.432 176.385 175.800 0.254 0.000 1.089 251 F CA -1.131 56.989 58.000 0.200 0.000 0.915 251 F CB 1.764 40.816 39.000 0.087 0.000 1.186 251 F HN 0.312 nan 8.300 nan 0.000 0.456 252 Q N 3.441 123.504 119.800 0.438 0.000 2.271 252 Q HA 0.670 5.010 4.340 0.000 0.000 0.258 252 Q C -1.129 174.975 176.000 0.174 0.000 0.936 252 Q CA -0.646 55.282 55.803 0.208 0.000 0.909 252 Q CB 2.387 31.155 28.738 0.050 0.000 1.253 252 Q HN 0.563 nan 8.270 nan 0.000 0.440 253 L N 1.068 122.360 121.223 0.114 0.000 2.330 253 L HA 0.429 4.769 4.340 0.000 0.000 0.271 253 L C 0.233 177.136 176.870 0.055 0.000 1.013 253 L CA -0.933 53.962 54.840 0.091 0.000 0.816 253 L CB 1.625 43.736 42.059 0.087 0.000 1.287 253 L HN 0.632 nan 8.230 nan 0.000 0.435 254 E N 0.925 121.155 120.200 0.049 0.000 2.415 254 E HA 0.220 4.570 4.350 0.000 0.000 0.263 254 E C 0.837 177.453 176.600 0.026 0.000 0.995 254 E CA 0.987 57.406 56.400 0.032 0.000 0.915 254 E CB 0.441 30.159 29.700 0.030 0.000 0.951 254 E HN 0.799 nan 8.360 nan 0.000 0.449 255 G N 2.761 111.570 108.800 0.014 0.000 2.195 255 G HA2 -0.232 3.728 3.960 0.000 0.000 0.224 255 G HA3 -0.232 3.728 3.960 0.000 0.000 0.224 255 G C 0.809 175.709 174.900 0.000 0.000 0.990 255 G CA 0.081 45.185 45.100 0.008 0.000 0.639 255 G HN 1.486 nan 8.290 nan 0.000 0.514 256 G N -1.958 106.842 108.800 0.000 0.000 2.201 256 G HA2 0.029 3.989 3.960 0.000 0.000 0.212 256 G HA3 0.029 3.989 3.960 0.000 0.000 0.212 256 G C 0.452 175.346 174.900 -0.010 0.000 0.994 256 G CA 0.450 45.544 45.100 -0.011 0.000 0.644 256 G HN 1.567 nan 8.290 nan 0.000 0.508 257 V N 2.218 122.131 119.914 -0.001 0.000 2.614 257 V HA 0.480 4.600 4.120 0.000 0.000 0.291 257 V C 0.951 177.052 176.094 0.010 0.000 1.049 257 V CA 0.090 62.381 62.300 -0.015 0.000 1.038 257 V CB 1.379 33.184 31.823 -0.030 0.000 0.980 257 V HN 0.314 nan 8.190 nan 0.000 0.481 258 I N 3.705 124.277 120.570 0.004 0.000 2.460 258 I HA 0.752 4.922 4.170 0.000 0.000 0.298 258 I C 0.163 176.305 176.117 0.042 0.000 0.989 258 I CA -0.471 60.866 61.300 0.060 0.000 1.173 258 I CB 1.844 39.885 38.000 0.067 0.000 1.338 258 I HN 0.684 nan 8.210 nan 0.000 0.456 259 A N 4.182 127.082 122.820 0.134 0.000 2.422 259 A HA 0.645 4.965 4.320 0.000 0.000 0.302 259 A C -1.552 176.177 177.584 0.242 0.000 1.041 259 A CA -0.421 51.683 52.037 0.111 0.000 0.708 259 A CB 1.196 20.227 19.000 0.052 0.000 1.257 259 A HN 0.826 nan 8.150 nan 0.000 0.414 260 H N 1.261 120.374 119.070 0.070 0.000 2.529 260 H HA 0.734 5.290 4.556 0.000 0.000 0.348 260 H C -1.309 174.003 175.328 -0.026 0.000 1.079 260 H CA -0.488 55.588 56.048 0.047 0.000 1.198 260 H CB 0.978 30.738 29.762 -0.004 0.000 1.521 260 H HN 0.533 nan 8.280 nan 0.000 0.514 261 I N 4.949 125.180 120.570 -0.564 0.000 2.418 261 I HA 0.250 4.420 4.170 0.000 0.000 0.287 261 I C -0.297 175.523 176.117 -0.495 0.000 1.008 261 I CA -0.892 60.120 61.300 -0.480 0.000 1.104 261 I CB 1.404 39.035 38.000 -0.615 0.000 1.264 261 I HN 0.615 nan 8.210 nan 0.000 0.438 265 W N 2.571 123.726 121.300 -0.241 0.000 3.290 265 W HA 0.327 4.987 4.660 0.001 0.000 0.287 265 W C 0.748 176.937 176.519 -0.550 0.000 1.288 265 W CA -0.346 56.771 57.345 -0.380 0.000 1.725 265 W CB 0.714 30.054 29.460 -0.200 0.000 1.103 265 W HN 0.434 nan 8.180 nan 0.000 0.670 266 V N 0.499 120.218 119.914 -0.325 0.000 2.778 266 V HA 0.232 4.352 4.120 0.000 0.000 0.356 266 V C 0.014 176.010 176.094 -0.163 0.000 1.283 266 V CA -0.141 61.764 62.300 -0.658 0.000 1.247 266 V CB 0.282 31.785 31.823 -0.534 0.000 1.408 266 V HN -0.104 nan 8.190 nan 0.000 0.620 267 T N 1.018 115.618 114.554 0.076 0.000 2.909 267 T HA 0.613 4.964 4.350 0.000 0.000 0.299 267 T C -0.665 174.221 174.700 0.310 0.000 1.073 267 T CA -0.504 61.734 62.100 0.231 0.000 0.999 267 T CB 2.000 70.907 68.868 0.066 0.000 1.098 267 T HN 0.441 nan 8.240 nan 0.000 0.477 268 R N 1.832 122.489 120.500 0.261 0.000 2.668 268 R HA 0.684 5.024 4.340 0.000 0.000 0.279 268 R C -0.914 175.472 176.300 0.144 0.000 0.976 268 R CA -0.922 55.291 56.100 0.188 0.000 0.978 268 R CB 1.803 32.157 30.300 0.091 0.000 1.133 268 R HN 0.387 nan 8.270 nan 0.000 0.484 269 V N 3.063 123.057 119.914 0.134 0.000 2.348 269 V HA 0.128 4.248 4.120 0.000 0.000 0.270 269 V C -0.928 175.261 176.094 0.159 0.000 1.037 269 V CA -0.376 61.993 62.300 0.115 0.000 0.872 269 V CB 0.497 32.365 31.823 0.075 0.000 1.002 269 V HN 0.644 nan 8.190 nan 0.000 0.464 270 Y N 7.490 127.794 120.300 0.006 0.000 2.562 270 Y HA 0.590 5.140 4.550 0.000 0.000 0.363 270 Y C 0.333 176.231 175.900 -0.003 0.000 0.991 270 Y CA -0.840 57.260 58.100 -0.001 0.000 1.121 270 Y CB 0.047 38.515 38.460 0.013 0.000 1.159 270 Y HN 0.790 nan 8.280 nan 0.000 0.651 271 R N -0.996 119.423 120.500 -0.135 0.000 2.835 271 R HA 0.357 4.697 4.340 0.000 0.000 0.271 271 R C -0.634 175.579 176.300 -0.146 0.000 1.013 271 R CA -0.792 55.224 56.100 -0.140 0.000 0.876 271 R CB 0.402 30.671 30.300 -0.052 0.000 1.348 271 R HN 0.007 nan 8.270 nan 0.000 0.453 272 D N -0.462 119.868 120.400 -0.117 0.000 2.224 272 D HA 0.095 4.735 4.640 0.000 0.000 0.205 272 D C -0.463 175.799 176.300 -0.063 0.000 0.965 272 D CA 1.607 55.545 54.000 -0.103 0.000 0.852 272 D CB 0.148 40.901 40.800 -0.079 0.000 0.947 272 D HN 0.306 nan 8.370 nan 0.000 0.494 273 D N -2.378 117.996 120.400 -0.043 0.000 2.713 273 D HA 0.147 4.787 4.640 0.000 0.000 0.306 273 D C 0.715 177.005 176.300 -0.017 0.000 1.299 273 D CA -0.579 53.408 54.000 -0.020 0.000 0.823 273 D CB 0.587 41.393 40.800 0.010 0.000 1.353 273 D HN -0.221 nan 8.370 nan 0.000 0.447 274 L N 0.056 121.273 121.223 -0.010 0.000 2.265 274 L HA 0.047 4.387 4.340 0.000 0.000 0.215 274 L C 1.137 177.990 176.870 -0.028 0.000 1.117 274 L CA 0.893 55.719 54.840 -0.022 0.000 0.782 274 L CB 0.003 42.044 42.059 -0.029 0.000 0.914 274 L HN 0.042 nan 8.230 nan 0.000 0.441 275 V N -1.424 118.541 119.914 0.084 0.000 2.925 275 V HA 0.512 4.632 4.120 0.000 0.000 0.311 275 V C -0.871 175.249 176.094 0.042 0.000 1.104 275 V CA -0.253 62.126 62.300 0.131 0.000 0.954 275 V CB 2.521 34.602 31.823 0.430 0.000 1.022 275 V HN -0.060 nan 8.190 nan 0.000 0.427 276 T N 5.920 120.404 114.554 -0.116 0.000 2.921 276 T HA 0.650 5.000 4.350 0.000 0.000 0.297 276 T C -1.594 172.907 174.700 -0.332 0.000 1.013 276 T CA -0.039 61.995 62.100 -0.110 0.000 0.990 276 T CB 0.964 69.776 68.868 -0.094 0.000 1.023 276 T HN 0.420 nan 8.240 nan 0.000 0.447 277 F N 2.737 122.705 119.950 0.030 0.000 2.499 277 F HA 0.458 4.985 4.527 -0.000 0.000 0.333 277 F C 0.254 176.082 175.800 0.046 0.000 1.138 277 F CA -0.805 57.208 58.000 0.021 0.000 0.945 277 F CB 2.001 41.047 39.000 0.076 0.000 1.181 277 F HN 0.373 nan 8.300 nan 0.000 0.435 278 Q N 3.486 123.374 119.800 0.146 0.000 2.290 278 Q HA 0.688 5.028 4.340 0.000 0.000 0.259 278 Q C -1.732 174.329 176.000 0.102 0.000 0.941 278 Q CA -0.613 55.275 55.803 0.141 0.000 0.912 278 Q CB 1.624 30.411 28.738 0.082 0.000 1.244 278 Q HN 0.516 nan 8.270 nan 0.000 0.441 279 V N 4.248 124.259 119.914 0.162 0.000 2.378 279 V HA 0.322 4.442 4.120 0.000 0.000 0.288 279 V C -0.744 175.415 176.094 0.109 0.000 1.016 279 V CA -0.841 61.442 62.300 -0.028 0.000 0.840 279 V CB 1.617 33.328 31.823 -0.187 0.000 0.994 279 V HN 0.819 nan 8.190 nan 0.000 0.431 280 D N 3.918 124.326 120.400 0.014 0.000 2.280 280 D HA 0.582 5.222 4.640 0.000 0.000 0.236 280 D C 0.248 176.574 176.300 0.045 0.000 1.082 280 D CA 0.231 54.291 54.000 0.099 0.000 0.834 280 D CB 2.482 43.325 40.800 0.071 0.000 1.100 280 D HN 0.730 nan 8.370 nan 0.000 0.486 281 G N 0.198 109.100 108.800 0.170 0.000 2.511 281 G HA2 0.234 4.194 3.960 0.000 0.000 0.318 281 G HA3 0.234 4.194 3.960 0.000 0.000 0.318 281 G C 0.875 175.822 174.900 0.078 0.000 1.210 281 G CA -0.326 44.856 45.100 0.137 0.000 0.969 281 G HN 0.307 nan 8.290 nan 0.000 0.484 282 T N -0.974 113.590 114.554 0.018 0.000 2.849 282 T HA -0.130 4.220 4.350 0.000 0.000 0.270 282 T C 1.275 176.044 174.700 0.115 0.000 1.066 282 T CA 1.593 63.699 62.100 0.009 0.000 1.130 282 T CB -0.319 68.496 68.868 -0.088 0.000 0.864 282 T HN 0.585 nan 8.240 nan 0.000 0.481 283 H N -1.302 117.704 119.070 -0.106 0.000 2.784 283 H HA 0.467 5.023 4.556 0.000 0.000 0.273 283 H C 0.679 175.752 175.328 -0.425 0.000 1.112 283 H CA -0.402 55.513 56.048 -0.223 0.000 1.162 283 H CB 0.908 30.530 29.762 -0.233 0.000 1.586 283 H HN 0.423 nan 8.280 nan 0.000 0.548 284 G N -0.209 108.458 108.800 -0.222 0.000 2.321 284 G HA2 0.226 4.186 3.960 0.000 0.000 0.298 284 G HA3 0.226 4.186 3.960 0.000 0.000 0.298 284 G C -1.495 173.459 174.900 0.090 0.000 1.385 284 G CA -0.707 44.181 45.100 -0.354 0.000 0.856 284 G HN 0.058 nan 8.290 nan 0.000 0.584 285 S N -1.290 114.577 115.700 0.278 0.000 2.595 285 S HA 0.957 5.427 4.470 0.000 0.000 0.281 285 S C -0.096 174.932 174.600 0.715 0.000 1.117 285 S CA 0.038 58.555 58.200 0.529 0.000 0.873 285 S CB 1.829 65.252 63.200 0.372 0.000 1.108 285 S HN 1.937 nan 8.310 nan 0.000 0.477 286 A N 1.019 124.324 122.820 0.809 0.000 2.454 286 A HA 0.880 5.200 4.320 0.000 0.000 0.302 286 A C -1.521 176.380 177.584 0.529 0.000 1.079 286 A CA -0.695 51.744 52.037 0.669 0.000 0.731 286 A CB 1.384 20.739 19.000 0.592 0.000 1.299 286 A HN 0.638 nan 8.150 nan 0.000 0.413 287 V N 1.062 121.192 119.914 0.359 0.000 2.447 287 V HA 0.661 4.781 4.120 0.000 0.000 0.292 287 V C 0.257 176.446 176.094 0.158 0.000 1.021 287 V CA -0.220 62.177 62.300 0.163 0.000 0.850 287 V CB 1.088 32.858 31.823 -0.088 0.000 1.005 287 V HN 1.353 nan 8.190 nan 0.000 0.426 288 A N 3.498 126.436 122.820 0.197 0.000 2.320 288 A HA 1.002 5.323 4.320 0.000 0.000 0.334 288 A C 0.419 178.096 177.584 0.154 0.000 1.147 288 A CA 0.167 52.311 52.037 0.179 0.000 0.820 288 A CB 1.647 20.779 19.000 0.221 0.000 1.218 288 A HN 1.025 nan 8.150 nan 0.000 0.482 289 G N -0.792 108.075 108.800 0.111 0.000 3.217 289 G HA2 0.469 4.429 3.960 0.000 0.000 0.213 289 G HA3 0.469 4.429 3.960 0.000 0.000 0.213 289 G C 0.319 175.283 174.900 0.107 0.000 1.294 289 G CA -0.497 44.661 45.100 0.097 0.000 0.987 289 G HN 0.475 nan 8.290 nan 0.000 0.584 290 L N -0.140 121.135 121.223 0.087 0.000 2.046 290 L HA 0.025 4.365 4.340 0.000 0.000 0.208 290 L C 2.808 179.690 176.870 0.020 0.000 1.077 290 L CA 2.301 57.188 54.840 0.079 0.000 0.747 290 L CB -0.211 41.896 42.059 0.080 0.000 0.896 290 L HN 0.444 nan 8.230 nan 0.000 0.432 291 S N -2.663 113.038 115.700 0.003 0.000 2.691 291 S HA 0.172 4.642 4.470 0.000 0.000 0.241 291 S C 0.331 174.904 174.600 -0.046 0.000 1.077 291 S CA -0.328 57.847 58.200 -0.041 0.000 0.900 291 S CB 0.471 63.666 63.200 -0.008 0.000 0.805 291 S HN 0.256 nan 8.310 nan 0.000 0.529 292 D N -0.036 120.363 120.400 -0.001 0.000 2.384 292 D HA 0.605 5.245 4.640 0.000 0.000 0.250 292 D C -0.618 175.707 176.300 0.041 0.000 1.029 292 D CA -0.267 53.744 54.000 0.017 0.000 0.990 292 D CB 2.074 42.889 40.800 0.025 0.000 1.175 292 D HN 0.239 nan 8.370 nan 0.000 0.532 296 Q N 4.055 123.824 119.800 -0.053 0.000 2.490 296 Q HA 0.771 5.111 4.340 0.000 0.000 0.255 296 Q C -0.619 175.348 176.000 -0.056 0.000 0.997 296 Q CA -0.566 55.026 55.803 -0.353 0.000 0.709 296 Q CB 1.832 29.802 28.738 -1.279 0.000 1.255 296 Q HN 1.089 nan 8.270 nan 0.000 0.486 297 A N 2.873 125.742 122.820 0.082 0.000 2.507 297 A HA 0.040 4.360 4.320 0.000 0.000 0.235 297 A C 1.085 178.582 177.584 -0.144 0.000 1.070 297 A CA 0.279 52.283 52.037 -0.055 0.000 0.768 297 A CB 0.310 19.316 19.000 0.009 0.000 1.011 297 A HN 1.056 nan 8.150 nan 0.000 0.502 298 R N 0.204 120.593 120.500 -0.186 0.000 2.152 298 R HA -0.189 4.151 4.340 0.000 0.000 0.232 298 R C 1.083 177.318 176.300 -0.108 0.000 1.117 298 R CA 1.938 57.955 56.100 -0.137 0.000 0.981 298 R CB -0.340 29.884 30.300 -0.127 0.000 0.870 298 R HN 0.711 nan 8.270 nan 0.000 0.451 299 Q N 0.492 120.228 119.800 -0.108 0.000 2.488 299 Q HA 0.113 4.453 4.340 0.000 0.000 0.211 299 Q C 1.607 177.572 176.000 -0.059 0.000 0.967 299 Q CA 1.389 57.145 55.803 -0.077 0.000 0.926 299 Q CB 0.362 29.057 28.738 -0.072 0.000 0.992 299 Q HN 0.577 nan 8.270 nan 0.000 0.506 300 A N -0.517 122.260 122.820 -0.072 0.000 2.252 300 A HA 0.120 4.440 4.320 0.000 0.000 0.213 300 A C 0.641 178.180 177.584 -0.074 0.000 1.188 300 A CA -0.148 51.850 52.037 -0.064 0.000 0.863 300 A CB 0.184 19.140 19.000 -0.073 0.000 0.893 300 A HN 0.154 nan 8.150 nan 0.000 0.495 301 T N 4.231 118.733 114.554 -0.087 0.000 2.831 301 T HA 0.299 4.649 4.350 0.000 0.000 0.291 301 T C -1.775 172.922 174.700 -0.005 0.000 0.981 301 T CA -0.439 61.625 62.100 -0.059 0.000 1.174 301 T CB 0.561 69.396 68.868 -0.056 0.000 0.929 301 T HN 0.390 nan 8.240 nan 0.000 0.532 302 P HA 0.260 nan 4.420 nan 0.000 0.286 302 P C -0.395 176.928 177.300 0.037 0.000 1.293 302 P CA -0.711 62.413 63.100 0.039 0.000 0.770 302 P CB 0.902 32.648 31.700 0.076 0.000 1.206 303 R N 0.697 121.201 120.500 0.006 0.000 2.547 303 R HA 0.330 4.670 4.340 0.000 0.000 0.280 303 R C -2.096 174.213 176.300 0.015 0.000 1.630 303 R CA -1.344 54.767 56.100 0.018 0.000 1.470 303 R CB 0.211 30.512 30.300 0.003 0.000 1.178 303 R HN 0.449 nan 8.270 nan 0.000 0.591 304 P HA 0.305 nan 4.420 nan 0.000 0.278 304 P C -1.030 176.331 177.300 0.102 0.000 1.266 304 P CA -0.555 62.601 63.100 0.095 0.000 0.807 304 P CB 1.630 33.499 31.700 0.283 0.000 1.094 305 V N 0.266 120.243 119.914 0.104 0.000 3.049 305 V HA 0.310 4.431 4.120 0.000 0.000 0.309 305 V C -1.400 174.797 176.094 0.172 0.000 1.148 305 V CA -1.072 61.311 62.300 0.138 0.000 0.990 305 V CB 2.315 34.196 31.823 0.096 0.000 1.039 305 V HN 0.680 nan 8.190 nan 0.000 0.430 306 W N 5.411 126.728 121.300 0.028 0.000 2.692 306 W HA 0.185 4.845 4.660 0.000 0.000 0.339 306 W C -0.165 176.370 176.519 0.026 0.000 1.415 306 W CA 0.453 57.814 57.345 0.027 0.000 1.389 306 W CB 0.365 29.833 29.460 0.014 0.000 1.492 306 W HN 0.794 nan 8.180 nan 0.000 0.545 307 N N 6.290 124.831 118.700 -0.264 0.000 2.576 307 N HA 0.262 5.003 4.740 0.000 0.000 0.269 307 N C -2.056 173.260 175.510 -0.323 0.000 1.058 307 N CA -1.053 51.881 53.050 -0.193 0.000 0.860 307 N CB 1.096 39.533 38.487 -0.082 0.000 1.249 307 N HN 0.138 nan 8.380 nan 0.000 0.525 315 D N 4.721 124.685 120.400 -0.726 0.000 2.411 315 D HA 0.090 4.730 4.640 0.000 0.000 0.225 315 D C 0.359 176.313 176.300 -0.577 0.000 1.156 315 D CA -0.244 53.517 54.000 -0.399 0.000 0.874 315 D CB 0.066 40.772 40.800 -0.157 0.000 1.034 315 D HN 0.466 nan 8.370 nan 0.000 0.502 316 F N 2.123 121.944 119.950 -0.215 0.000 2.407 316 F HA -0.099 4.428 4.527 0.000 0.000 0.299 316 F C 1.404 177.225 175.800 0.035 0.000 1.097 316 F CA 0.493 58.458 58.000 -0.059 0.000 1.422 316 F CB -0.219 38.752 39.000 -0.049 0.000 1.067 316 F HN 0.462 nan 8.300 nan 0.000 0.539 317 Y N -0.247 120.169 120.300 0.192 0.000 2.242 317 Y HA -0.088 4.462 4.550 0.000 0.000 0.291 317 Y C 2.599 178.615 175.900 0.193 0.000 1.137 317 Y CA 1.000 59.145 58.100 0.075 0.000 1.181 317 Y CB -1.268 37.167 38.460 -0.041 0.000 0.989 317 Y HN 0.018 nan 8.280 nan 0.000 0.527 318 G N -0.285 108.673 108.800 0.264 0.000 2.470 318 G HA2 -0.195 3.766 3.960 0.000 0.000 0.220 318 G HA3 -0.195 3.766 3.960 0.000 0.000 0.220 318 G C 1.002 176.038 174.900 0.226 0.000 1.121 318 G CA 0.984 46.192 45.100 0.179 0.000 0.766 318 G HN 0.291 nan 8.290 nan 0.000 0.553 319 D N -0.401 120.187 120.400 0.312 0.000 2.390 319 D HA 0.031 4.671 4.640 0.000 0.000 0.235 319 D C -0.099 176.295 176.300 0.156 0.000 1.040 319 D CA 0.382 54.526 54.000 0.239 0.000 0.923 319 D CB 0.109 41.052 40.800 0.239 0.000 0.886 319 D HN 0.389 nan 8.370 nan 0.000 0.532 320 W N 0.288 121.652 121.300 0.108 0.000 2.882 320 W HA 0.431 5.092 4.660 0.000 0.000 0.345 320 W C 0.041 176.612 176.519 0.087 0.000 1.125 320 W CA -0.956 56.455 57.345 0.110 0.000 1.167 320 W CB 0.977 30.513 29.460 0.127 0.000 1.431 320 W HN -0.391 nan 8.180 nan 0.000 0.543 321 Q N 1.968 121.952 119.800 0.307 0.000 2.356 321 Q HA 0.413 4.753 4.340 0.000 0.000 0.270 321 Q C -0.992 175.108 176.000 0.165 0.000 1.058 321 Q CA -0.961 54.953 55.803 0.186 0.000 0.802 321 Q CB 2.055 30.862 28.738 0.114 0.000 1.303 321 Q HN 0.393 nan 8.270 nan 0.000 0.444 322 K N 4.033 124.507 120.400 0.123 0.000 2.276 322 K HA 0.282 4.602 4.320 0.000 0.000 0.283 322 K C -0.690 175.952 176.600 0.071 0.000 1.044 322 K CA -0.417 55.928 56.287 0.096 0.000 0.944 322 K CB 0.546 33.090 32.500 0.074 0.000 1.012 322 K HN 0.686 nan 8.250 nan 0.000 0.472 323 L N 6.748 128.009 121.223 0.064 0.000 2.453 323 L HA 0.166 4.506 4.340 0.000 0.000 0.272 323 L C -1.600 175.301 176.870 0.052 0.000 1.182 323 L CA -1.694 53.178 54.840 0.054 0.000 0.858 323 L CB 0.310 42.405 42.059 0.061 0.000 1.120 323 L HN 0.683 nan 8.230 nan 0.000 0.474 324 P HA 0.054 nan 4.420 nan 0.000 0.271 324 P C -1.063 176.256 177.300 0.031 0.000 1.218 324 P CA -0.399 62.719 63.100 0.030 0.000 0.780 324 P CB 0.732 32.440 31.700 0.014 0.000 0.901 325 D N 2.846 123.275 120.400 0.047 0.000 2.352 325 D HA 0.057 4.697 4.640 0.000 0.000 0.245 325 D C 0.654 176.933 176.300 -0.035 0.000 1.224 325 D CA 0.059 54.097 54.000 0.064 0.000 0.879 325 D CB 0.249 41.110 40.800 0.102 0.000 1.057 325 D HN 0.226 nan 8.370 nan 0.000 0.491 326 N N 0.654 119.291 118.700 -0.105 0.000 2.282 326 N HA 0.014 4.754 4.740 0.000 0.000 0.185 326 N C 0.283 175.673 175.510 -0.199 0.000 1.099 326 N CA 0.206 53.169 53.050 -0.144 0.000 0.878 326 N CB 0.828 39.215 38.487 -0.167 0.000 0.993 326 N HN 0.312 nan 8.380 nan 0.000 0.481 327 V N -2.961 116.757 119.914 -0.327 0.000 3.046 327 V HA 0.609 4.729 4.120 0.000 0.000 0.316 327 V C 0.372 176.179 176.094 -0.479 0.000 1.104 327 V CA -1.063 61.002 62.300 -0.390 0.000 1.006 327 V CB 1.690 33.247 31.823 -0.444 0.000 1.058 327 V HN -0.196 nan 8.190 nan 0.000 0.440 328 S N 1.009 116.520 115.700 -0.315 0.000 2.564 328 S HA 0.526 4.996 4.470 0.000 0.000 0.278 328 S C -0.965 173.441 174.600 -0.322 0.000 1.333 328 S CA 0.068 58.132 58.200 -0.226 0.000 1.048 328 S CB -0.036 63.111 63.200 -0.089 0.000 0.900 328 S HN 0.607 nan 8.310 nan 0.000 0.505 329 Y N 1.875 122.191 120.300 0.025 0.000 2.417 329 Y HA 0.262 4.812 4.550 -0.000 0.000 0.336 329 Y C 0.646 176.581 175.900 0.058 0.000 0.961 329 Y CA -0.972 57.154 58.100 0.043 0.000 1.215 329 Y CB 0.518 39.004 38.460 0.044 0.000 1.120 329 Y HN 0.532 nan 8.280 nan 0.000 0.499 330 D N 2.133 122.655 120.400 0.203 0.000 2.357 330 D HA -0.083 4.557 4.640 0.000 0.000 0.242 330 D C 0.182 176.589 176.300 0.178 0.000 1.153 330 D CA -0.052 54.041 54.000 0.155 0.000 0.918 330 D CB 0.688 41.564 40.800 0.128 0.000 1.181 330 D HN 0.550 nan 8.370 nan 0.000 0.435 331 N N 0.686 119.474 118.700 0.146 0.000 2.411 331 N HA -0.066 4.674 4.740 0.000 0.000 0.261 331 N C 1.086 176.682 175.510 0.144 0.000 1.248 331 N CA 0.292 53.440 53.050 0.164 0.000 0.885 331 N CB 0.952 39.533 38.487 0.158 0.000 1.062 331 N HN 0.472 nan 8.380 nan 0.000 0.471 332 G N 3.718 112.572 108.800 0.089 0.000 2.450 332 G HA2 -0.239 3.721 3.960 0.000 0.000 0.220 332 G HA3 -0.239 3.721 3.960 0.000 0.000 0.220 332 G C 1.100 175.770 174.900 -0.385 0.000 1.130 332 G CA 0.514 45.554 45.100 -0.099 0.000 0.760 332 G HN 0.645 nan 8.290 nan 0.000 0.557 333 F N 0.954 120.836 119.950 -0.114 0.000 2.102 333 F HA 0.033 4.561 4.527 0.001 0.000 0.298 333 F C 2.582 178.441 175.800 0.098 0.000 1.105 333 F CA 1.598 59.552 58.000 -0.077 0.000 1.239 333 F CB -0.281 38.641 39.000 -0.130 0.000 0.991 333 F HN 0.075 nan 8.300 nan 0.000 0.474 334 K N 0.747 121.313 120.400 0.276 0.000 2.032 334 K HA -0.268 4.053 4.320 0.000 0.000 0.209 334 K C 2.130 178.828 176.600 0.164 0.000 1.048 334 K CA 1.895 58.311 56.287 0.214 0.000 0.927 334 K CB -0.310 32.254 32.500 0.106 0.000 0.712 334 K HN 0.320 nan 8.250 nan 0.000 0.441 335 E N 0.251 120.491 120.200 0.066 0.000 2.118 335 E HA -0.257 4.093 4.350 0.000 0.000 0.195 335 E C 2.127 178.742 176.600 0.025 0.000 0.992 335 E CA 1.289 57.735 56.400 0.078 0.000 0.804 335 E CB 0.090 29.896 29.700 0.178 0.000 0.741 335 E HN 0.396 nan 8.360 nan 0.000 0.458 336 Q N -0.917 118.737 119.800 -0.243 0.000 2.137 336 Q HA -0.124 4.216 4.340 0.000 0.000 0.198 336 Q C 1.667 177.669 176.000 0.004 0.000 0.960 336 Q CA 0.902 56.580 55.803 -0.209 0.000 0.847 336 Q CB -0.103 28.285 28.738 -0.584 0.000 0.915 336 Q HN 0.408 nan 8.270 nan 0.000 0.448 337 W N 1.837 123.102 121.300 -0.059 0.000 2.342 337 W HA -0.149 4.511 4.660 0.001 0.000 0.297 337 W C 0.973 177.447 176.519 -0.075 0.000 1.213 337 W CA 0.681 57.942 57.345 -0.141 0.000 1.251 337 W CB 0.130 29.523 29.460 -0.113 0.000 1.136 337 W HN 0.175 nan 8.180 nan 0.000 0.526 341 I N 1.748 122.200 120.570 -0.196 0.000 2.226 341 I HA -0.256 3.915 4.170 0.000 0.000 0.245 341 I C 2.265 178.330 176.117 -0.087 0.000 1.100 341 I CA 1.563 62.784 61.300 -0.131 0.000 1.374 341 I CB -0.392 37.640 38.000 0.053 0.000 1.057 341 I HN 0.142 nan 8.210 nan 0.000 0.413 342 R N -0.561 119.912 120.500 -0.045 0.000 2.127 342 R HA -0.235 4.105 4.340 0.000 0.000 0.238 342 R C 2.334 178.607 176.300 -0.045 0.000 1.134 342 R CA 1.518 57.614 56.100 -0.006 0.000 0.975 342 R CB -0.615 29.711 30.300 0.043 0.000 0.865 342 R HN 0.424 nan 8.270 nan 0.000 0.447 343 H N 0.691 119.592 119.070 -0.282 0.000 2.326 343 H HA -0.047 4.509 4.556 0.000 0.000 0.301 343 H C 1.895 176.963 175.328 -0.435 0.000 1.081 343 H CA 1.593 57.436 56.048 -0.342 0.000 1.334 343 H CB -0.174 29.271 29.762 -0.527 0.000 1.385 343 H HN -0.112 nan 8.280 nan 0.000 0.504 344 V N -0.365 119.116 119.914 -0.722 0.000 2.270 344 V HA -0.250 3.870 4.120 0.000 0.000 0.245 344 V C 1.671 177.336 176.094 -0.716 0.000 1.043 344 V CA 2.062 63.782 62.300 -0.966 0.000 1.014 344 V CB -0.684 30.373 31.823 -1.276 0.000 0.645 344 V HN 0.466 nan 8.190 nan 0.000 0.447 345 Y N -0.971 119.138 120.300 -0.317 0.000 2.458 345 Y HA 0.235 4.785 4.550 0.000 0.000 0.256 345 Y C 2.104 177.926 175.900 -0.130 0.000 1.159 345 Y CA 0.517 58.504 58.100 -0.190 0.000 1.261 345 Y CB 0.558 38.929 38.460 -0.147 0.000 1.119 345 Y HN 0.292 nan 8.280 nan 0.000 0.524 346 E N -0.547 119.643 120.200 -0.018 0.000 2.665 346 E HA 0.016 4.366 4.350 0.000 0.000 0.225 346 E C -0.421 176.168 176.600 -0.019 0.000 0.922 346 E CA 0.269 56.668 56.400 -0.001 0.000 1.242 346 E CB 0.660 30.372 29.700 0.020 0.000 1.197 346 E HN 0.169 nan 8.360 nan 0.000 0.581 347 D N 0.871 121.233 120.400 -0.063 0.000 2.772 347 D HA -0.188 4.452 4.640 0.000 0.000 0.233 347 D C -0.339 175.996 176.300 0.058 0.000 1.143 347 D CA 0.926 54.909 54.000 -0.029 0.000 0.700 347 D CB -1.163 39.620 40.800 -0.028 0.000 1.076 347 D HN 0.320 nan 8.370 nan 0.000 0.430 348 A N 1.095 123.965 122.820 0.082 0.000 2.450 348 A HA 0.449 4.769 4.320 0.000 0.000 0.255 348 A C -1.692 175.994 177.584 0.169 0.000 1.096 348 A CA -0.859 51.240 52.037 0.103 0.000 0.778 348 A CB 0.475 19.526 19.000 0.084 0.000 1.031 348 A HN -0.026 nan 8.150 nan 0.000 0.494 349 P HA 0.061 nan 4.420 nan 0.000 0.267 349 P C -1.188 176.110 177.300 -0.003 0.000 1.200 349 P CA 0.578 63.708 63.100 0.051 0.000 0.772 349 P CB 0.278 31.984 31.700 0.010 0.000 0.855 350 Y N 1.283 121.356 120.300 -0.379 0.000 2.396 350 Y HA 0.256 4.806 4.550 0.000 0.000 0.332 350 Y C 1.042 176.679 175.900 -0.439 0.000 1.034 350 Y CA -0.647 57.155 58.100 -0.497 0.000 1.057 350 Y CB 1.990 39.823 38.460 -1.045 0.000 1.220 350 Y HN 0.265 nan 8.280 nan 0.000 0.440 351 K N 3.493 123.323 120.400 -0.950 0.000 2.211 351 K HA 0.090 4.410 4.320 0.000 0.000 0.201 351 K C -0.255 175.771 176.600 -0.956 0.000 1.052 351 K CA 0.688 56.386 56.287 -0.983 0.000 0.973 351 K CB 0.142 31.857 32.500 -1.309 0.000 0.766 351 K HN 0.524 nan 8.250 nan 0.000 0.466 352 F N 2.122 121.488 119.950 -0.974 0.000 2.759 352 F HA 0.097 4.624 4.527 0.000 0.000 0.322 352 F C 0.879 176.502 175.800 -0.295 0.000 1.199 352 F CA -0.554 57.072 58.000 -0.623 0.000 1.272 352 F CB -0.656 38.020 39.000 -0.540 0.000 1.467 352 F HN -0.111 nan 8.300 nan 0.000 0.561 353 T N -2.991 111.561 114.554 -0.003 0.000 2.689 353 T HA 0.197 4.548 4.350 0.000 0.000 0.308 353 T C 1.449 176.296 174.700 0.245 0.000 1.021 353 T CA -0.512 61.701 62.100 0.187 0.000 0.973 353 T CB 0.698 69.608 68.868 0.070 0.000 1.113 353 T HN 0.348 nan 8.240 nan 0.000 0.522 354 L N 0.231 121.725 121.223 0.452 0.000 2.275 354 L HA 0.031 4.371 4.340 0.000 0.000 0.215 354 L C 2.527 179.495 176.870 0.165 0.000 1.119 354 L CA 0.407 55.388 54.840 0.234 0.000 0.790 354 L CB -0.779 41.375 42.059 0.159 0.000 0.919 354 L HN 0.567 nan 8.230 nan 0.000 0.443 355 L N 0.054 121.403 121.223 0.210 0.000 2.051 355 L HA -0.261 4.080 4.340 0.000 0.000 0.214 355 L C 2.571 179.519 176.870 0.129 0.000 1.076 355 L CA 1.908 56.841 54.840 0.155 0.000 0.758 355 L CB -0.554 41.596 42.059 0.151 0.000 0.890 355 L HN 0.237 nan 8.230 nan 0.000 0.433 356 E N -0.305 119.960 120.200 0.109 0.000 2.072 356 E HA -0.119 4.232 4.350 0.000 0.000 0.191 356 E C 2.154 178.802 176.600 0.080 0.000 0.985 356 E CA 1.126 57.582 56.400 0.094 0.000 0.801 356 E CB -0.806 28.951 29.700 0.096 0.000 0.750 356 E HN 0.637 nan 8.360 nan 0.000 0.452 357 G N 1.607 110.437 108.800 0.049 0.000 2.476 357 G HA2 -0.298 3.662 3.960 0.000 0.000 0.218 357 G HA3 -0.298 3.662 3.960 0.000 0.000 0.218 357 G C 1.766 176.707 174.900 0.069 0.000 1.164 357 G CA 1.681 46.795 45.100 0.023 0.000 0.768 357 G HN 0.403 nan 8.290 nan 0.000 0.560 358 A N 0.569 123.458 122.820 0.116 0.000 1.978 358 A HA -0.030 4.290 4.320 0.000 0.000 0.220 358 A C 2.307 180.023 177.584 0.221 0.000 1.170 358 A CA 2.027 54.193 52.037 0.215 0.000 0.636 358 A CB -0.329 18.817 19.000 0.244 0.000 0.810 358 A HN 0.430 nan 8.150 nan 0.000 0.448 359 K N -0.809 119.672 120.400 0.136 0.000 2.148 359 K HA -0.044 4.276 4.320 0.000 0.000 0.204 359 K C 2.110 178.716 176.600 0.011 0.000 1.050 359 K CA 0.871 57.193 56.287 0.058 0.000 0.942 359 K CB -0.331 32.213 32.500 0.074 0.000 0.724 359 K HN 0.462 nan 8.250 nan 0.000 0.446 360 G N 0.861 109.685 108.800 0.041 0.000 2.404 360 G HA2 -0.195 3.765 3.960 0.000 0.000 0.215 360 G HA3 -0.195 3.765 3.960 0.000 0.000 0.215 360 G C 1.534 176.426 174.900 -0.013 0.000 1.174 360 G CA 0.621 45.728 45.100 0.012 0.000 0.780 360 G HN 0.087 nan 8.290 nan 0.000 0.537 361 V N 0.695 120.618 119.914 0.015 0.000 2.515 361 V HA -0.196 3.924 4.120 0.000 0.000 0.250 361 V C 2.703 178.774 176.094 -0.040 0.000 1.058 361 V CA 2.075 64.393 62.300 0.029 0.000 1.064 361 V CB -0.369 31.518 31.823 0.106 0.000 0.675 361 V HN 0.514 nan 8.190 nan 0.000 0.461 362 Q N -0.234 119.448 119.800 -0.198 0.000 2.084 362 Q HA -0.239 4.102 4.340 0.000 0.000 0.202 362 Q C 2.262 178.107 176.000 -0.260 0.000 0.978 362 Q CA 1.903 57.368 55.803 -0.563 0.000 0.844 362 Q CB -0.143 27.980 28.738 -1.025 0.000 0.898 362 Q HN 0.555 nan 8.270 nan 0.000 0.426 363 L N 0.655 121.804 121.223 -0.124 0.000 2.056 363 L HA -0.032 4.308 4.340 0.000 0.000 0.207 363 L C 2.260 179.149 176.870 0.031 0.000 1.078 363 L CA 2.075 56.908 54.840 -0.011 0.000 0.749 363 L CB -0.805 41.280 42.059 0.045 0.000 0.901 363 L HN 0.253 nan 8.230 nan 0.000 0.433 364 A N -0.950 121.880 122.820 0.016 0.000 1.908 364 A HA -0.247 4.073 4.320 0.000 0.000 0.218 364 A C 2.251 179.858 177.584 0.039 0.000 1.181 364 A CA 1.925 53.984 52.037 0.035 0.000 0.627 364 A CB -0.637 18.374 19.000 0.018 0.000 0.818 364 A HN 0.589 nan 8.150 nan 0.000 0.445 365 E N -0.992 119.214 120.200 0.011 0.000 2.106 365 E HA -0.161 4.189 4.350 0.000 0.000 0.192 365 E C 2.032 178.643 176.600 0.019 0.000 0.984 365 E CA 1.124 57.536 56.400 0.020 0.000 0.806 365 E CB -0.281 29.426 29.700 0.012 0.000 0.750 365 E HN 0.682 nan 8.360 nan 0.000 0.458 366 C N 0.460 119.757 119.300 -0.005 0.000 2.413 366 C HA -0.151 4.309 4.460 0.000 0.000 0.277 366 C C 2.798 177.804 174.990 0.027 0.000 1.265 366 C CA 0.948 59.974 59.018 0.012 0.000 1.752 366 C CB -0.934 26.813 27.740 0.013 0.000 1.998 366 C HN 0.516 nan 8.230 nan 0.000 0.489 367 A N 0.326 123.167 122.820 0.036 0.000 1.854 367 A HA -0.048 4.272 4.320 0.000 0.000 0.214 367 A C 2.077 179.714 177.584 0.089 0.000 1.192 367 A CA 1.310 53.359 52.037 0.019 0.000 0.611 367 A CB -0.631 18.384 19.000 0.026 0.000 0.832 367 A HN 0.569 nan 8.150 nan 0.000 0.442 368 L N -0.445 120.859 121.223 0.134 0.000 2.079 368 L HA -0.214 4.126 4.340 0.000 0.000 0.210 368 L C 2.612 179.574 176.870 0.153 0.000 1.081 368 L CA 1.964 56.935 54.840 0.217 0.000 0.752 368 L CB -0.392 41.760 42.059 0.156 0.000 0.896 368 L HN 0.458 nan 8.230 nan 0.000 0.433 369 K N -0.093 120.358 120.400 0.086 0.000 2.148 369 K HA -0.175 4.145 4.320 0.000 0.000 0.204 369 K C 2.384 179.025 176.600 0.067 0.000 1.050 369 K CA 1.412 57.732 56.287 0.056 0.000 0.942 369 K CB -0.000 32.524 32.500 0.040 0.000 0.724 369 K HN 0.281 nan 8.250 nan 0.000 0.446 370 S N -0.157 115.583 115.700 0.067 0.000 2.406 370 S HA -0.143 4.327 4.470 0.000 0.000 0.228 370 S C 1.731 176.394 174.600 0.104 0.000 1.020 370 S CA 0.413 58.631 58.200 0.030 0.000 0.965 370 S CB -0.438 62.714 63.200 -0.079 0.000 0.798 370 S HN 0.547 nan 8.310 nan 0.000 0.488 371 W N 2.822 124.077 121.300 -0.075 0.000 2.338 371 W HA -0.004 4.656 4.660 0.000 0.000 0.325 371 W C 2.383 178.882 176.519 -0.034 0.000 1.206 371 W CA 1.585 58.897 57.345 -0.055 0.000 1.257 371 W CB -1.257 28.180 29.460 -0.037 0.000 1.184 371 W HN 0.380 nan 8.180 nan 0.000 0.456 372 K N 0.207 120.625 120.400 0.029 0.000 2.107 372 K HA -0.262 4.058 4.320 0.000 0.000 0.211 372 K C 1.576 178.161 176.600 -0.025 0.000 1.049 372 K CA 2.467 58.680 56.287 -0.122 0.000 0.927 372 K CB -0.401 32.020 32.500 -0.132 0.000 0.714 372 K HN 0.293 nan 8.250 nan 0.000 0.452 373 E N -0.410 119.806 120.200 0.026 0.000 2.498 373 E HA 0.096 4.446 4.350 0.000 0.000 0.203 373 E C -0.567 176.060 176.600 0.044 0.000 1.013 373 E CA -0.211 56.206 56.400 0.028 0.000 0.927 373 E CB 0.545 30.263 29.700 0.030 0.000 1.012 373 E HN 0.228 nan 8.360 nan 0.000 0.482 374 R N 0.833 121.371 120.500 0.063 0.000 3.525 374 R HA -0.205 4.135 4.340 0.000 0.000 0.276 374 R C -0.077 176.246 176.300 0.039 0.000 1.116 374 R CA 0.944 57.077 56.100 0.056 0.000 0.745 374 R CB -2.314 28.018 30.300 0.054 0.000 1.185 374 R HN 0.362 nan 8.270 nan 0.000 0.454 375 R N -1.744 118.774 120.500 0.030 0.000 2.752 375 R HA 0.418 4.758 4.340 0.000 0.000 0.271 375 R C -1.028 175.296 176.300 0.041 0.000 1.026 375 R CA -1.065 55.077 56.100 0.071 0.000 0.901 375 R CB 0.568 30.935 30.300 0.111 0.000 1.243 375 R HN -0.040 nan 8.270 nan 0.000 0.463 376 W N 0.747 122.049 121.300 0.003 0.000 2.137 376 W HA 0.371 5.031 4.660 0.000 0.000 0.344 376 W C 0.119 176.641 176.519 0.005 0.000 1.286 376 W CA 0.086 57.428 57.345 -0.005 0.000 1.240 376 W CB 0.507 29.963 29.460 -0.007 0.000 1.141 376 W HN 0.239 nan 8.180 nan 0.000 0.579 377 I N 2.561 123.277 120.570 0.244 0.000 2.571 377 I HA 0.105 4.275 4.170 0.000 0.000 0.289 377 I C -0.857 175.353 176.117 0.154 0.000 1.115 377 I CA -1.055 60.334 61.300 0.148 0.000 1.045 377 I CB 1.380 39.426 38.000 0.077 0.000 1.238 377 I HN 0.235 nan 8.210 nan 0.000 0.424 378 D N 4.669 125.141 120.400 0.119 0.000 2.255 378 D HA 0.291 4.931 4.640 0.000 0.000 0.249 378 D C -0.004 176.339 176.300 0.072 0.000 1.078 378 D CA -0.181 53.880 54.000 0.102 0.000 0.896 378 D CB 2.289 43.135 40.800 0.077 0.000 1.194 378 D HN 0.083 nan 8.370 nan 0.000 0.429 379 V N 2.156 122.112 119.914 0.070 0.000 2.299 379 V HA 0.324 4.444 4.120 0.000 0.000 0.255 379 V C 0.710 176.824 176.094 0.033 0.000 1.100 379 V CA -0.944 61.378 62.300 0.036 0.000 0.938 379 V CB 0.111 31.960 31.823 0.044 0.000 1.139 379 V HN 0.668 nan 8.190 nan 0.000 0.490 380 A N 8.813 131.651 122.820 0.031 0.000 2.580 380 A HA 0.315 4.635 4.320 0.000 0.000 0.244 380 A C -1.524 176.095 177.584 0.058 0.000 1.045 380 A CA -0.534 51.533 52.037 0.051 0.000 0.761 380 A CB -0.427 18.616 19.000 0.072 0.000 0.962 380 A HN 0.640 nan 8.150 nan 0.000 0.512 381 P HA 0.206 nan 4.420 nan 0.000 0.268 381 P C -0.138 177.222 177.300 0.099 0.000 1.208 381 P CA 0.231 63.372 63.100 0.069 0.000 0.777 381 P CB 0.456 32.190 31.700 0.056 0.000 0.875 382 I N 0.000 120.639 120.570 0.115 0.000 2.984 382 I HA 0.000 4.170 4.170 0.000 0.000 0.288 382 I CA 0.000 61.387 61.300 0.144 0.000 1.566 382 I CB 0.000 38.118 38.000 0.197 0.000 1.214 382 I HN 0.000 nan 8.210 nan 0.000 0.494