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 5bca_1_B DATA FIRST_RESID 1 DATA SEQUENCE AVNGKGMNPD YKAYLMAPLK KIPEVTNWET FENDLRWAKQ NGFYAITVDF DATA SEQUENCE WWGDMEKNGD QQFDFSYAQR FAQSVKNAGM KMIPIISTHQ cGGNVGDDcN DATA SEQUENCE VPIPSWVWNQ KSDDSLYFKS ETGTVNKETL NPLASDVIRK EYGELYTAFA DATA SEQUENCE AAMKPYKDVI AKIYLSGGPA GELRYPSYTT SDGTGYPSRG KFQAYTEFAK DATA SEQUENCE SKFRLWVLNK YGSLNEVNKA WGTKLISELA ILPPSDGEQF LMNGYLSMYG DATA SEQUENCE KDYLEWYQGI LENHTKLIGE LAHNAFDTTF QVPIGAKIAG VHWQYNNPTI DATA SEQUENCE PHGAEKPAGY NDYSHLLDAF KSAKLDVTFT CLEMTDKGSY PEYSMPKTLV DATA SEQUENCE QNIATLANEK GIVLNGENAL SIGNEEEYKR VAEMAFNYNF AGFTLLRYQD DATA SEQUENCE VMYNNSLMGK FKDLLGVTPV MQTIVVKNVP TTIGDTVYIT GNRAELGSWD DATA SEQUENCE TKQYPIQLYY DSHSNDWRGN VVLPAERNIE FKAFIKSKDG TVKSWQTIQQ DATA SEQUENCE SWNPVPLKTT SHTSSW 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.621 177.584 0.061 0.000 1.274 1 A CA 0.000 52.033 52.037 -0.007 0.000 0.836 1 A CB 0.000 18.977 19.000 -0.039 0.000 0.831 2 V N 2.225 122.118 119.914 -0.034 0.000 2.788 2 V HA 0.156 4.272 4.120 -0.008 0.000 0.307 2 V C 0.794 176.895 176.094 0.012 0.000 1.069 2 V CA 0.994 63.285 62.300 -0.015 0.000 1.173 2 V CB 0.120 31.811 31.823 -0.221 0.000 0.925 2 V HN 1.043 nan 8.190 nan 0.000 0.492 3 N N 2.924 121.653 118.700 0.049 0.000 2.747 3 N HA -0.203 4.533 4.740 -0.008 0.000 0.249 3 N C 1.069 176.644 175.510 0.109 0.000 1.107 3 N CA 1.575 54.669 53.050 0.073 0.000 0.707 3 N CB -1.377 37.140 38.487 0.051 0.000 1.054 3 N HN 1.523 nan 8.380 nan 0.000 0.555 4 G N -1.467 107.417 108.800 0.141 0.000 2.189 4 G HA2 -0.414 3.541 3.960 -0.008 0.000 0.267 4 G HA3 -0.414 3.541 3.960 -0.008 0.000 0.267 4 G C 0.339 175.311 174.900 0.119 0.000 0.975 4 G CA 1.386 46.591 45.100 0.176 0.000 0.644 4 G HN 0.745 nan 8.290 nan 0.000 0.537 5 K N 0.076 120.528 120.400 0.087 0.000 2.362 5 K HA 0.699 5.014 4.320 -0.008 0.000 0.245 5 K C 1.064 177.686 176.600 0.037 0.000 1.040 5 K CA -0.411 55.914 56.287 0.063 0.000 0.961 5 K CB 0.560 33.088 32.500 0.047 0.000 1.252 5 K HN 0.395 nan 8.250 nan 0.000 0.503 6 G N -0.180 108.629 108.800 0.015 0.000 2.795 6 G HA2 0.435 4.390 3.960 -0.008 0.000 0.267 6 G HA3 0.435 4.390 3.960 -0.008 0.000 0.267 6 G C -0.443 174.444 174.900 -0.021 0.000 1.362 6 G CA -1.263 43.825 45.100 -0.020 0.000 1.048 6 G HN 0.725 nan 8.290 nan 0.000 0.547 7 M N 0.219 119.786 119.600 -0.055 0.000 2.245 7 M HA 0.265 4.740 4.480 -0.008 0.000 0.344 7 M C 0.170 176.476 176.300 0.010 0.000 1.170 7 M CA -0.541 54.743 55.300 -0.027 0.000 1.135 7 M CB 0.444 32.936 32.600 -0.180 0.000 1.574 7 M HN 0.361 nan 8.290 nan 0.000 0.452 8 N N 4.738 123.490 118.700 0.087 0.000 2.414 8 N HA 0.044 4.779 4.740 -0.008 0.000 0.268 8 N C -1.643 173.926 175.510 0.097 0.000 1.286 8 N CA -0.979 52.133 53.050 0.105 0.000 0.896 8 N CB 0.714 39.303 38.487 0.171 0.000 1.093 8 N HN 0.557 nan 8.380 nan 0.000 0.480 9 P HA -0.071 nan 4.420 nan 0.000 0.225 9 P C -0.093 177.227 177.300 0.033 0.000 1.148 9 P CA 0.989 64.103 63.100 0.023 0.000 0.779 9 P CB 0.467 32.169 31.700 0.004 0.000 0.780 10 D N -1.724 118.705 120.400 0.049 0.000 2.339 10 D HA -0.012 4.623 4.640 -0.008 0.000 0.217 10 D C 0.564 176.874 176.300 0.017 0.000 1.050 10 D CA -0.385 53.624 54.000 0.015 0.000 0.856 10 D CB -0.872 39.935 40.800 0.013 0.000 0.922 10 D HN 0.206 nan 8.370 nan 0.000 0.518 11 Y N 2.581 122.875 120.300 -0.011 0.000 2.881 11 Y HA -0.115 4.427 4.550 -0.013 0.000 0.335 11 Y C -0.002 175.856 175.900 -0.070 0.000 1.263 11 Y CA 0.388 58.496 58.100 0.014 0.000 1.572 11 Y CB 0.104 38.627 38.460 0.104 0.000 1.237 11 Y HN -0.265 nan 8.280 nan 0.000 0.568 12 K N 4.824 124.638 120.400 -0.976 0.000 2.469 12 K HA 0.789 5.104 4.320 -0.008 0.000 0.254 12 K C -1.301 174.527 176.600 -1.286 0.000 0.939 12 K CA -0.993 54.709 56.287 -0.975 0.000 0.812 12 K CB 1.924 34.016 32.500 -0.680 0.000 1.301 12 K HN 0.615 nan 8.250 nan 0.000 0.433 13 A N 2.038 124.384 122.820 -0.790 0.000 2.301 13 A HA 0.630 4.945 4.320 -0.008 0.000 0.312 13 A C -1.296 176.142 177.584 -0.242 0.000 1.182 13 A CA -0.300 51.520 52.037 -0.361 0.000 0.826 13 A CB 0.103 19.122 19.000 0.030 0.000 1.134 13 A HN 0.553 nan 8.150 nan 0.000 0.501 14 Y N 0.452 120.924 120.300 0.287 0.000 2.621 14 Y HA 0.701 5.246 4.550 -0.009 0.000 0.334 14 Y C -0.265 175.738 175.900 0.171 0.000 1.074 14 Y CA -1.441 56.808 58.100 0.249 0.000 1.149 14 Y CB 1.615 40.140 38.460 0.109 0.000 1.302 14 Y HN 0.592 nan 8.280 nan 0.000 0.501 15 L N 2.209 123.457 121.223 0.041 0.000 2.385 15 L HA 0.627 4.962 4.340 -0.008 0.000 0.273 15 L C -0.943 175.864 176.870 -0.105 0.000 0.990 15 L CA -0.909 53.732 54.840 -0.332 0.000 0.821 15 L CB 1.524 43.001 42.059 -0.970 0.000 1.279 15 L HN 0.687 nan 8.230 nan 0.000 0.412 16 M N 4.612 124.168 119.600 -0.074 0.000 2.211 16 M HA 0.663 5.138 4.480 -0.008 0.000 0.356 16 M C 0.029 176.347 176.300 0.030 0.000 1.216 16 M CA 0.207 55.488 55.300 -0.033 0.000 1.134 16 M CB 1.007 33.578 32.600 -0.047 0.000 1.564 16 M HN 0.766 nan 8.290 nan 0.000 0.463 17 A N 6.119 128.952 122.820 0.022 0.000 2.259 17 A HA 0.723 5.038 4.320 -0.008 0.000 0.278 17 A C -2.451 175.113 177.584 -0.033 0.000 1.107 17 A CA -1.286 50.770 52.037 0.032 0.000 0.828 17 A CB -0.813 18.236 19.000 0.082 0.000 1.111 17 A HN 0.699 nan 8.150 nan 0.000 0.498 18 P HA 0.084 nan 4.420 nan 0.000 0.271 18 P C 0.544 177.843 177.300 -0.002 0.000 1.238 18 P CA -0.330 62.727 63.100 -0.072 0.000 0.794 18 P CB 0.345 31.945 31.700 -0.167 0.000 0.959 19 L N -0.143 121.100 121.223 0.033 0.000 2.341 19 L HA 0.115 4.450 4.340 -0.008 0.000 0.214 19 L C 0.937 177.848 176.870 0.069 0.000 1.115 19 L CA 1.448 56.343 54.840 0.091 0.000 0.820 19 L CB -0.820 41.284 42.059 0.075 0.000 0.944 19 L HN 0.235 nan 8.230 nan 0.000 0.452 20 K N 0.081 120.484 120.400 0.006 0.000 2.126 20 K HA 0.167 4.483 4.320 -0.008 0.000 0.257 20 K C 0.159 176.736 176.600 -0.037 0.000 1.007 20 K CA -0.379 55.889 56.287 -0.030 0.000 0.928 20 K CB 0.704 33.177 32.500 -0.045 0.000 1.013 20 K HN -0.064 nan 8.250 nan 0.000 0.473 21 K N 2.111 122.464 120.400 -0.078 0.000 2.319 21 K HA 0.027 4.343 4.320 -0.008 0.000 0.265 21 K C 1.273 177.804 176.600 -0.116 0.000 1.000 21 K CA -0.437 55.796 56.287 -0.091 0.000 0.943 21 K CB 0.409 32.722 32.500 -0.312 0.000 0.950 21 K HN 0.422 nan 8.250 nan 0.000 0.485 22 I N 3.081 123.564 120.570 -0.146 0.000 2.208 22 I HA -0.173 3.992 4.170 -0.008 0.000 0.245 22 I C -0.835 174.976 176.117 -0.510 0.000 1.097 22 I CA 1.385 62.373 61.300 -0.521 0.000 1.363 22 I CB -1.947 35.381 38.000 -1.121 0.000 1.051 22 I HN 0.523 nan 8.210 nan 0.000 0.413 23 P HA -0.086 nan 4.420 nan 0.000 0.230 23 P C 1.230 178.421 177.300 -0.182 0.000 1.158 23 P CA 1.054 63.946 63.100 -0.347 0.000 0.769 23 P CB -0.101 31.462 31.700 -0.228 0.000 0.807 24 E N -0.935 119.173 120.200 -0.153 0.000 2.318 24 E HA -0.004 4.341 4.350 -0.008 0.000 0.193 24 E C 1.534 178.082 176.600 -0.088 0.000 0.998 24 E CA 0.429 56.769 56.400 -0.100 0.000 0.859 24 E CB 0.007 29.656 29.700 -0.086 0.000 0.812 24 E HN 0.102 nan 8.360 nan 0.000 0.492 25 V N 0.371 120.215 119.914 -0.116 0.000 2.581 25 V HA 0.010 4.125 4.120 -0.008 0.000 0.240 25 V C 0.982 177.049 176.094 -0.044 0.000 1.054 25 V CA 1.445 63.708 62.300 -0.061 0.000 1.076 25 V CB 0.538 32.317 31.823 -0.073 0.000 0.748 25 V HN 0.248 nan 8.190 nan 0.000 0.474 26 T N -0.656 113.834 114.554 -0.107 0.000 2.606 26 T HA 0.379 4.725 4.350 -0.008 0.000 0.289 26 T C -1.215 173.387 174.700 -0.163 0.000 1.113 26 T CA -0.618 61.440 62.100 -0.070 0.000 1.106 26 T CB 1.078 69.958 68.868 0.019 0.000 1.611 26 T HN 0.361 nan 8.240 nan 0.000 0.471 27 N N -0.987 117.649 118.700 -0.106 0.000 2.404 27 N HA 0.355 5.090 4.740 -0.008 0.000 0.297 27 N C -0.001 175.468 175.510 -0.069 0.000 1.163 27 N CA -1.259 51.722 53.050 -0.114 0.000 0.864 27 N CB 0.619 39.113 38.487 0.011 0.000 1.247 27 N HN 0.820 nan 8.380 nan 0.000 0.510 28 W N -0.091 121.255 121.300 0.077 0.000 2.342 28 W HA -0.105 4.550 4.660 -0.009 0.000 0.297 28 W C 1.394 178.001 176.519 0.145 0.000 1.213 28 W CA 0.879 58.289 57.345 0.108 0.000 1.251 28 W CB -0.049 29.447 29.460 0.061 0.000 1.136 28 W HN 0.574 nan 8.180 nan 0.000 0.526 29 E N -0.811 119.564 120.200 0.292 0.000 2.208 29 E HA -0.111 4.234 4.350 -0.008 0.000 0.193 29 E C 1.989 178.683 176.600 0.157 0.000 0.988 29 E CA 1.695 58.211 56.400 0.195 0.000 0.828 29 E CB -1.114 28.668 29.700 0.137 0.000 0.763 29 E HN 0.122 nan 8.360 nan 0.000 0.478 30 T N 0.621 115.271 114.554 0.160 0.000 2.851 30 T HA -0.034 4.312 4.350 -0.008 0.000 0.262 30 T C 1.428 176.245 174.700 0.195 0.000 1.043 30 T CA 0.672 62.858 62.100 0.143 0.000 1.140 30 T CB -0.379 68.563 68.868 0.124 0.000 0.872 30 T HN 0.168 nan 8.240 nan 0.000 0.446 31 F N 2.313 122.310 119.950 0.078 0.000 2.161 31 F HA -0.081 4.442 4.527 -0.007 0.000 0.300 31 F C 2.113 177.972 175.800 0.100 0.000 1.089 31 F CA 1.273 59.325 58.000 0.087 0.000 1.282 31 F CB -0.310 38.687 39.000 -0.005 0.000 1.010 31 F HN 0.184 nan 8.300 nan 0.000 0.485 32 E N -0.106 120.131 120.200 0.061 0.000 2.077 32 E HA -0.218 4.127 4.350 -0.008 0.000 0.193 32 E C 1.955 178.505 176.600 -0.083 0.000 0.989 32 E CA 1.219 57.574 56.400 -0.075 0.000 0.800 32 E CB -0.261 29.471 29.700 0.054 0.000 0.746 32 E HN 0.407 nan 8.360 nan 0.000 0.452 33 N N 1.003 119.705 118.700 0.004 0.000 2.244 33 N HA -0.127 4.608 4.740 -0.008 0.000 0.183 33 N C 1.159 176.700 175.510 0.052 0.000 1.016 33 N CA 0.918 53.987 53.050 0.031 0.000 0.866 33 N CB -0.108 38.408 38.487 0.049 0.000 0.980 33 N HN 0.150 nan 8.380 nan 0.000 0.430 34 D N 0.768 121.190 120.400 0.036 0.000 2.178 34 D HA -0.025 4.611 4.640 -0.008 0.000 0.202 34 D C 2.108 178.396 176.300 -0.022 0.000 0.974 34 D CA 0.327 54.362 54.000 0.059 0.000 0.841 34 D CB -0.043 40.806 40.800 0.082 0.000 0.953 34 D HN 0.257 nan 8.370 nan 0.000 0.478 35 L N 0.220 121.347 121.223 -0.160 0.000 2.109 35 L HA -0.053 4.282 4.340 -0.008 0.000 0.207 35 L C 2.502 179.334 176.870 -0.063 0.000 1.086 35 L CA 0.828 55.548 54.840 -0.200 0.000 0.760 35 L CB -0.169 41.679 42.059 -0.352 0.000 0.910 35 L HN -0.071 nan 8.230 nan 0.000 0.437 36 R N -0.745 119.751 120.500 -0.007 0.000 2.096 36 R HA -0.219 4.117 4.340 -0.008 0.000 0.235 36 R C 2.174 178.567 176.300 0.154 0.000 1.127 36 R CA 1.802 57.938 56.100 0.060 0.000 0.968 36 R CB -0.441 29.900 30.300 0.069 0.000 0.861 36 R HN 0.544 nan 8.270 nan 0.000 0.440 37 W N 1.316 122.596 121.300 -0.033 0.000 2.381 37 W HA -0.141 4.516 4.660 -0.005 0.000 0.301 37 W C 1.955 178.484 176.519 0.018 0.000 1.205 37 W CA 1.126 58.466 57.345 -0.009 0.000 1.285 37 W CB -0.083 29.363 29.460 -0.024 0.000 1.133 37 W HN 0.143 nan 8.180 nan 0.000 0.521 38 A N 1.227 124.003 122.820 -0.073 0.000 1.865 38 A HA -0.306 4.009 4.320 -0.008 0.000 0.217 38 A C 1.918 179.536 177.584 0.056 0.000 1.191 38 A CA 2.437 54.424 52.037 -0.083 0.000 0.623 38 A CB -1.174 17.718 19.000 -0.180 0.000 0.826 38 A HN 0.352 nan 8.150 nan 0.000 0.444 39 K N -0.584 119.836 120.400 0.032 0.000 2.074 39 K HA -0.272 4.043 4.320 -0.008 0.000 0.209 39 K C 2.207 178.810 176.600 0.006 0.000 1.048 39 K CA 2.041 58.360 56.287 0.052 0.000 0.926 39 K CB -0.219 32.298 32.500 0.028 0.000 0.713 39 K HN 0.535 nan 8.250 nan 0.000 0.444 40 Q N 0.233 120.005 119.800 -0.047 0.000 2.291 40 Q HA -0.039 4.296 4.340 -0.008 0.000 0.205 40 Q C 0.751 176.636 176.000 -0.191 0.000 0.970 40 Q CA 1.224 56.975 55.803 -0.087 0.000 0.876 40 Q CB 0.178 28.875 28.738 -0.070 0.000 0.935 40 Q HN 0.341 nan 8.270 nan 0.000 0.455 41 N N -1.095 117.443 118.700 -0.270 0.000 2.313 41 N HA 0.088 4.823 4.740 -0.008 0.000 0.207 41 N C 0.273 175.658 175.510 -0.208 0.000 1.141 41 N CA 0.836 53.716 53.050 -0.284 0.000 0.830 41 N CB 1.149 39.408 38.487 -0.380 0.000 1.008 41 N HN 0.420 nan 8.380 nan 0.000 0.481 42 G N 0.415 109.136 108.800 -0.131 0.000 2.176 42 G HA2 -0.254 3.702 3.960 -0.008 0.000 0.232 42 G HA3 -0.254 3.702 3.960 -0.008 0.000 0.232 42 G C -0.038 174.812 174.900 -0.083 0.000 0.986 42 G CA -0.471 44.562 45.100 -0.112 0.000 0.643 42 G HN 0.221 nan 8.290 nan 0.000 0.522 43 F N -0.210 119.762 119.950 0.036 0.000 2.429 43 F HA 0.563 5.085 4.527 -0.007 0.000 0.348 43 F C 1.317 177.183 175.800 0.110 0.000 1.109 43 F CA -0.022 58.010 58.000 0.052 0.000 1.232 43 F CB 0.713 39.688 39.000 -0.041 0.000 1.157 43 F HN 0.070 nan 8.300 nan 0.000 0.564 44 Y N 1.844 122.274 120.300 0.216 0.000 2.522 44 Y HA 0.586 5.133 4.550 -0.005 0.000 0.277 44 Y C 0.437 176.483 175.900 0.242 0.000 1.104 44 Y CA 0.542 58.749 58.100 0.179 0.000 1.260 44 Y CB 0.224 38.773 38.460 0.149 0.000 1.151 44 Y HN 0.485 nan 8.280 nan 0.000 0.539 45 A N 0.183 123.255 122.820 0.420 0.000 2.594 45 A HA 0.550 4.865 4.320 -0.008 0.000 0.291 45 A C -1.919 175.768 177.584 0.171 0.000 1.105 45 A CA -0.696 51.446 52.037 0.175 0.000 0.694 45 A CB 0.779 19.847 19.000 0.114 0.000 1.291 45 A HN 0.193 nan 8.150 nan 0.000 0.410 46 I N 1.136 121.757 120.570 0.084 0.000 2.404 46 I HA 0.523 4.689 4.170 -0.008 0.000 0.293 46 I C -0.570 175.587 176.117 0.065 0.000 0.992 46 I CA -0.124 61.234 61.300 0.096 0.000 1.149 46 I CB 1.758 39.861 38.000 0.172 0.000 1.315 46 I HN 0.658 nan 8.210 nan 0.000 0.446 47 T N 6.788 121.346 114.554 0.007 0.000 2.837 47 T HA 0.476 4.822 4.350 -0.008 0.000 0.285 47 T C -0.645 173.959 174.700 -0.161 0.000 0.984 47 T CA -0.393 61.653 62.100 -0.091 0.000 1.049 47 T CB 1.765 70.577 68.868 -0.094 0.000 0.947 47 T HN 0.416 nan 8.240 nan 0.000 0.472 48 V N 2.502 122.202 119.914 -0.357 0.000 2.888 48 V HA 0.397 4.512 4.120 -0.008 0.000 0.309 48 V C -1.457 174.133 176.094 -0.840 0.000 1.114 48 V CA -0.937 61.017 62.300 -0.577 0.000 0.940 48 V CB 2.323 33.622 31.823 -0.873 0.000 1.021 48 V HN 0.901 nan 8.190 nan 0.000 0.426 49 D N 4.547 124.484 120.400 -0.771 0.000 2.255 49 D HA 0.391 5.027 4.640 -0.008 0.000 0.249 49 D C -1.352 174.289 176.300 -1.097 0.000 1.078 49 D CA 0.269 53.674 54.000 -0.992 0.000 0.896 49 D CB 1.552 41.523 40.800 -1.381 0.000 1.194 49 D HN 0.352 nan 8.370 nan 0.000 0.429 50 F N 1.251 120.810 119.950 -0.651 0.000 2.500 50 F HA 0.267 4.789 4.527 -0.009 0.000 0.349 50 F C -0.320 175.258 175.800 -0.371 0.000 1.127 50 F CA -1.141 56.656 58.000 -0.339 0.000 0.998 50 F CB 0.568 39.510 39.000 -0.097 0.000 1.237 50 F HN 0.222 nan 8.300 nan 0.000 0.439 51 W N 3.158 124.557 121.300 0.165 0.000 2.238 51 W HA 0.096 4.752 4.660 -0.006 0.000 0.321 51 W C 1.049 177.688 176.519 0.200 0.000 1.293 51 W CA -0.487 56.907 57.345 0.082 0.000 1.204 51 W CB 0.530 29.994 29.460 0.007 0.000 1.167 51 W HN 0.687 nan 8.180 nan 0.000 0.553 52 W N 2.584 123.993 121.300 0.183 0.000 2.338 52 W HA -0.157 4.498 4.660 -0.007 0.000 0.304 52 W C 1.919 178.522 176.519 0.140 0.000 1.212 52 W CA 2.227 59.651 57.345 0.132 0.000 1.264 52 W CB -0.995 28.493 29.460 0.048 0.000 1.142 52 W HN 0.456 nan 8.180 nan 0.000 0.512 53 G N -0.511 108.411 108.800 0.204 0.000 2.559 53 G HA2 -0.214 3.741 3.960 -0.008 0.000 0.216 53 G HA3 -0.214 3.741 3.960 -0.008 0.000 0.216 53 G C 1.148 176.099 174.900 0.086 0.000 1.126 53 G CA 1.127 46.230 45.100 0.006 0.000 0.778 53 G HN 0.228 nan 8.290 nan 0.000 0.543 54 D N -0.068 120.448 120.400 0.193 0.000 2.277 54 D HA 0.091 4.727 4.640 -0.008 0.000 0.209 54 D C 2.514 178.912 176.300 0.163 0.000 0.970 54 D CA 0.376 54.474 54.000 0.163 0.000 0.874 54 D CB 0.037 40.965 40.800 0.214 0.000 0.982 54 D HN 0.297 nan 8.370 nan 0.000 0.504 55 M N -0.192 119.548 119.600 0.234 0.000 2.334 55 M HA 0.025 4.500 4.480 -0.008 0.000 0.266 55 M C 0.982 177.412 176.300 0.216 0.000 1.082 55 M CA 0.884 56.289 55.300 0.175 0.000 1.141 55 M CB 0.529 33.303 32.600 0.290 0.000 1.380 55 M HN -0.200 nan 8.290 nan 0.000 0.440 56 E N 0.277 120.679 120.200 0.337 0.000 4.017 56 E HA 0.061 4.406 4.350 -0.008 0.000 0.205 56 E C 0.732 177.521 176.600 0.315 0.000 1.054 56 E CA -0.081 56.514 56.400 0.324 0.000 1.398 56 E CB 0.568 30.657 29.700 0.649 0.000 1.164 56 E HN 0.168 nan 8.360 nan 0.000 0.445 57 K N 0.379 120.887 120.400 0.180 0.000 2.002 57 K HA -0.110 4.205 4.320 -0.008 0.000 0.209 57 K C 1.235 177.966 176.600 0.218 0.000 1.048 57 K CA 1.951 58.334 56.287 0.162 0.000 0.930 57 K CB 0.095 32.638 32.500 0.070 0.000 0.714 57 K HN 0.217 nan 8.250 nan 0.000 0.438 58 N N -0.866 117.868 118.700 0.056 0.000 2.457 58 N HA 0.036 4.771 4.740 -0.008 0.000 0.180 58 N C 0.199 175.594 175.510 -0.192 0.000 1.050 58 N CA 0.349 53.385 53.050 -0.023 0.000 0.906 58 N CB 0.641 39.093 38.487 -0.058 0.000 0.968 58 N HN 0.294 nan 8.380 nan 0.000 0.445 59 G N -0.094 108.388 108.800 -0.531 0.000 2.316 59 G HA2 -0.036 3.920 3.960 -0.008 0.000 0.296 59 G HA3 -0.036 3.920 3.960 -0.008 0.000 0.296 59 G C -2.041 171.934 174.900 -1.542 0.000 1.399 59 G CA -0.912 43.440 45.100 -1.247 0.000 0.833 59 G HN -0.066 nan 8.290 nan 0.000 0.565 60 D N 0.881 120.214 120.400 -1.779 0.000 2.520 60 D HA 0.301 4.936 4.640 -0.008 0.000 0.243 60 D C 0.963 176.855 176.300 -0.681 0.000 1.160 60 D CA 1.129 54.400 54.000 -1.215 0.000 0.877 60 D CB 0.415 40.795 40.800 -0.700 0.000 1.150 60 D HN 0.473 nan 8.370 nan 0.000 0.494 61 Q N 1.418 120.813 119.800 -0.675 0.000 2.493 61 Q HA -0.244 4.091 4.340 -0.008 0.000 0.260 61 Q C -0.673 174.831 176.000 -0.827 0.000 0.905 61 Q CA 0.790 56.102 55.803 -0.818 0.000 1.140 61 Q CB -1.951 26.606 28.738 -0.301 0.000 1.435 61 Q HN 0.754 nan 8.270 nan 0.000 0.581 62 Q N 0.289 119.647 119.800 -0.736 0.000 2.563 62 Q HA 0.460 4.795 4.340 -0.008 0.000 0.232 62 Q C -0.499 175.268 176.000 -0.389 0.000 1.106 62 Q CA -0.226 55.320 55.803 -0.429 0.000 0.913 62 Q CB 0.368 28.927 28.738 -0.297 0.000 1.175 62 Q HN 0.014 nan 8.270 nan 0.000 0.540 63 F N 1.241 121.138 119.950 -0.087 0.000 2.379 63 F HA 0.282 4.804 4.527 -0.007 0.000 0.332 63 F C 0.480 176.103 175.800 -0.295 0.000 1.096 63 F CA -0.975 56.873 58.000 -0.253 0.000 1.105 63 F CB 1.054 39.895 39.000 -0.266 0.000 1.189 63 F HN 0.307 nan 8.300 nan 0.000 0.515 64 D N 1.943 122.204 120.400 -0.232 0.000 2.575 64 D HA 0.291 4.927 4.640 -0.008 0.000 0.250 64 D C -0.808 175.348 176.300 -0.240 0.000 1.279 64 D CA -0.317 53.599 54.000 -0.139 0.000 0.925 64 D CB 0.340 41.131 40.800 -0.016 0.000 1.261 64 D HN 0.229 nan 8.370 nan 0.000 0.567 65 F N 1.582 121.604 119.950 0.120 0.000 2.661 65 F HA 0.108 4.631 4.527 -0.007 0.000 0.306 65 F C 2.405 178.196 175.800 -0.015 0.000 1.094 65 F CA -0.043 57.977 58.000 0.032 0.000 1.254 65 F CB 0.166 39.143 39.000 -0.039 0.000 1.040 65 F HN 0.377 nan 8.300 nan 0.000 0.562 66 S N -0.306 115.489 115.700 0.159 0.000 2.383 66 S HA -0.328 4.137 4.470 -0.008 0.000 0.229 66 S C 2.058 176.713 174.600 0.092 0.000 1.030 66 S CA 1.454 59.718 58.200 0.107 0.000 1.002 66 S CB -1.028 62.235 63.200 0.104 0.000 0.829 66 S HN 0.512 nan 8.310 nan 0.000 0.467 67 Y N 2.410 122.743 120.300 0.055 0.000 2.220 67 Y HA 0.224 4.769 4.550 -0.007 0.000 0.291 67 Y C 2.612 178.524 175.900 0.020 0.000 1.129 67 Y CA 0.747 58.910 58.100 0.106 0.000 1.161 67 Y CB -0.927 37.641 38.460 0.180 0.000 0.997 67 Y HN 0.334 nan 8.280 nan 0.000 0.522 68 A N 0.259 122.902 122.820 -0.295 0.000 1.933 68 A HA -0.217 4.099 4.320 -0.008 0.000 0.218 68 A C 2.067 179.338 177.584 -0.521 0.000 1.175 68 A CA 1.858 53.433 52.037 -0.770 0.000 0.628 68 A CB -0.628 17.733 19.000 -1.065 0.000 0.814 68 A HN 0.678 nan 8.150 nan 0.000 0.444 69 Q N -1.248 118.322 119.800 -0.384 0.000 2.079 69 Q HA -0.163 4.173 4.340 -0.008 0.000 0.200 69 Q C 2.333 178.006 176.000 -0.546 0.000 0.974 69 Q CA 1.427 56.938 55.803 -0.486 0.000 0.840 69 Q CB -0.187 28.445 28.738 -0.176 0.000 0.898 69 Q HN 0.503 nan 8.270 nan 0.000 0.430 70 R N 0.671 120.921 120.500 -0.416 0.000 2.096 70 R HA -0.138 4.197 4.340 -0.008 0.000 0.235 70 R C 1.739 177.581 176.300 -0.764 0.000 1.127 70 R CA 1.261 57.015 56.100 -0.576 0.000 0.968 70 R CB -0.689 29.293 30.300 -0.530 0.000 0.861 70 R HN 0.255 nan 8.270 nan 0.000 0.440 71 F N 0.421 119.946 119.950 -0.709 0.000 2.113 71 F HA -0.016 4.505 4.527 -0.009 0.000 0.297 71 F C 2.012 177.670 175.800 -0.236 0.000 1.103 71 F CA 1.591 59.367 58.000 -0.374 0.000 1.248 71 F CB -0.704 38.194 39.000 -0.170 0.000 0.999 71 F HN 0.121 nan 8.300 nan 0.000 0.475 72 A N -0.258 122.510 122.820 -0.087 0.000 1.902 72 A HA -0.272 4.043 4.320 -0.008 0.000 0.217 72 A C 2.085 179.516 177.584 -0.256 0.000 1.181 72 A CA 1.817 53.734 52.037 -0.200 0.000 0.623 72 A CB -1.020 17.631 19.000 -0.582 0.000 0.818 72 A HN 0.519 nan 8.150 nan 0.000 0.443 73 Q N 0.105 119.657 119.800 -0.414 0.000 2.096 73 Q HA -0.131 4.204 4.340 -0.008 0.000 0.204 73 Q C 2.220 178.146 176.000 -0.123 0.000 0.982 73 Q CA 2.381 58.079 55.803 -0.176 0.000 0.850 73 Q CB -0.604 28.030 28.738 -0.173 0.000 0.901 73 Q HN 0.505 nan 8.270 nan 0.000 0.422 74 S N -1.234 114.354 115.700 -0.186 0.000 2.383 74 S HA -0.066 4.399 4.470 -0.008 0.000 0.227 74 S C 1.792 176.383 174.600 -0.016 0.000 1.026 74 S CA 0.962 59.138 58.200 -0.041 0.000 0.981 74 S CB -0.214 63.052 63.200 0.109 0.000 0.818 74 S HN 0.294 nan 8.310 nan 0.000 0.472 75 V N 1.703 121.595 119.914 -0.037 0.000 2.343 75 V HA -0.198 3.917 4.120 -0.008 0.000 0.247 75 V C 2.331 178.412 176.094 -0.022 0.000 1.051 75 V CA 1.978 64.253 62.300 -0.042 0.000 1.036 75 V CB -0.504 31.340 31.823 0.036 0.000 0.654 75 V HN 0.420 nan 8.190 nan 0.000 0.451 76 K N 0.570 120.973 120.400 0.006 0.000 2.026 76 K HA -0.194 4.122 4.320 -0.008 0.000 0.208 76 K C 1.911 178.515 176.600 0.007 0.000 1.048 76 K CA 1.877 58.179 56.287 0.025 0.000 0.929 76 K CB -0.229 32.317 32.500 0.077 0.000 0.713 76 K HN 0.451 nan 8.250 nan 0.000 0.439 77 N N 0.482 119.183 118.700 0.001 0.000 2.272 77 N HA -0.146 4.589 4.740 -0.008 0.000 0.185 77 N C 1.254 176.760 175.510 -0.006 0.000 1.014 77 N CA 1.309 54.361 53.050 0.003 0.000 0.870 77 N CB -0.270 38.224 38.487 0.010 0.000 0.975 77 N HN 0.334 nan 8.380 nan 0.000 0.433 78 A N -0.274 122.529 122.820 -0.029 0.000 2.218 78 A HA 0.431 4.746 4.320 -0.008 0.000 0.209 78 A C 1.444 179.008 177.584 -0.033 0.000 1.168 78 A CA 0.656 52.667 52.037 -0.044 0.000 0.804 78 A CB -0.300 18.637 19.000 -0.106 0.000 0.834 78 A HN 0.286 nan 8.150 nan 0.000 0.482 79 G N -1.510 107.275 108.800 -0.026 0.000 2.160 79 G HA2 -0.203 3.752 3.960 -0.008 0.000 0.244 79 G HA3 -0.203 3.752 3.960 -0.008 0.000 0.244 79 G C 0.068 174.942 174.900 -0.044 0.000 1.022 79 G CA 0.645 45.731 45.100 -0.022 0.000 0.741 79 G HN 0.259 nan 8.290 nan 0.000 0.508 80 M N -1.161 118.402 119.600 -0.062 0.000 2.872 80 M HA 0.639 5.114 4.480 -0.008 0.000 0.290 80 M C 0.440 176.669 176.300 -0.118 0.000 1.180 80 M CA -0.510 54.732 55.300 -0.095 0.000 0.839 80 M CB 1.420 33.967 32.600 -0.088 0.000 1.667 80 M HN 0.011 nan 8.290 nan 0.000 0.512 81 K N 1.103 121.394 120.400 -0.181 0.000 2.306 81 K HA 0.785 5.100 4.320 -0.008 0.000 0.236 81 K C -0.769 175.796 176.600 -0.058 0.000 1.013 81 K CA -0.563 55.626 56.287 -0.164 0.000 0.857 81 K CB 2.358 34.635 32.500 -0.372 0.000 1.214 81 K HN 0.797 nan 8.250 nan 0.000 0.449 82 M N -0.897 118.696 119.600 -0.011 0.000 2.631 82 M HA 0.622 5.097 4.480 -0.008 0.000 0.288 82 M C -1.102 175.170 176.300 -0.046 0.000 1.260 82 M CA -0.907 54.419 55.300 0.044 0.000 0.842 82 M CB 1.894 34.610 32.600 0.193 0.000 1.743 82 M HN 0.384 nan 8.290 nan 0.000 0.461 83 I N 2.555 123.071 120.570 -0.091 0.000 2.517 83 I HA 0.410 4.575 4.170 -0.008 0.000 0.280 83 I C -2.455 173.557 176.117 -0.174 0.000 1.061 83 I CA -1.737 59.466 61.300 -0.161 0.000 1.091 83 I CB 1.975 39.836 38.000 -0.231 0.000 1.205 83 I HN 0.468 nan 8.210 nan 0.000 0.459 84 P HA 0.299 nan 4.420 nan 0.000 0.274 84 P C -0.621 176.492 177.300 -0.312 0.000 1.231 84 P CA -0.003 62.950 63.100 -0.246 0.000 0.790 84 P CB 1.299 33.087 31.700 0.148 0.000 0.951 85 I N 2.482 122.788 120.570 -0.440 0.000 2.404 85 I HA 0.345 4.511 4.170 -0.008 0.000 0.293 85 I C 0.639 176.502 176.117 -0.423 0.000 0.992 85 I CA -0.916 60.166 61.300 -0.364 0.000 1.149 85 I CB 1.409 39.181 38.000 -0.379 0.000 1.315 85 I HN 0.118 nan 8.210 nan 0.000 0.446 86 I N 5.150 125.488 120.570 -0.387 0.000 2.241 86 I HA 0.103 4.268 4.170 -0.008 0.000 0.294 86 I C 0.142 176.111 176.117 -0.247 0.000 1.145 86 I CA 0.128 61.198 61.300 -0.384 0.000 1.261 86 I CB 0.148 37.873 38.000 -0.459 0.000 1.475 86 I HN 0.517 nan 8.210 nan 0.000 0.533 87 S N 3.153 118.682 115.700 -0.285 0.000 2.701 87 S HA 0.051 4.516 4.470 -0.008 0.000 0.317 87 S C 1.304 175.907 174.600 0.004 0.000 1.149 87 S CA -0.463 57.600 58.200 -0.228 0.000 1.052 87 S CB -0.094 62.595 63.200 -0.852 0.000 1.257 87 S HN 0.707 nan 8.310 nan 0.000 0.532 88 T N 0.021 114.626 114.554 0.086 0.000 3.324 88 T HA 0.078 4.424 4.350 -0.008 0.000 0.250 88 T C 0.460 175.445 174.700 0.476 0.000 1.059 88 T CA -0.338 61.880 62.100 0.198 0.000 0.951 88 T CB -0.515 68.090 68.868 -0.438 0.000 1.030 88 T HN 0.740 nan 8.240 nan 0.000 0.576 89 H N -1.107 118.183 119.070 0.367 0.000 2.812 89 H HA 0.517 5.068 4.556 -0.008 0.000 0.355 89 H C -0.688 174.883 175.328 0.406 0.000 1.207 89 H CA -1.192 55.075 56.048 0.365 0.000 1.217 89 H CB 1.036 30.978 29.762 0.300 0.000 1.874 89 H HN 0.181 nan 8.280 nan 0.000 0.581 90 Q N 0.470 120.452 119.800 0.304 0.000 2.332 90 Q HA 0.232 4.567 4.340 -0.008 0.000 0.263 90 Q C -0.839 175.099 176.000 -0.104 0.000 0.979 90 Q CA -0.367 55.474 55.803 0.064 0.000 0.885 90 Q CB 0.569 29.358 28.738 0.084 0.000 1.218 90 Q HN 0.561 nan 8.270 nan 0.000 0.405 91 c N 5.128 123.354 118.600 -0.624 0.000 2.325 91 c HA 0.639 5.204 4.570 -0.008 0.000 0.347 91 c C 1.375 175.208 174.090 -0.429 0.000 1.263 91 c CA 0.672 56.438 56.329 -0.938 0.000 1.806 91 c CB -1.019 40.315 42.510 -1.959 0.000 2.405 91 c HN 1.114 nan 8.230 nan 0.000 0.537 92 G N 4.614 113.279 108.800 -0.224 0.000 2.699 92 G HA2 0.032 3.987 3.960 -0.008 0.000 0.347 92 G HA3 0.032 3.987 3.960 -0.008 0.000 0.347 92 G C 1.320 176.157 174.900 -0.105 0.000 1.225 92 G CA 1.699 46.722 45.100 -0.128 0.000 0.973 92 G HN 2.476 nan 8.290 nan 0.000 0.551 93 G N -1.377 107.356 108.800 -0.112 0.000 2.490 93 G HA2 -0.297 3.658 3.960 -0.008 0.000 0.214 93 G HA3 -0.297 3.658 3.960 -0.008 0.000 0.214 93 G C 0.520 175.383 174.900 -0.061 0.000 1.151 93 G CA 0.991 46.040 45.100 -0.085 0.000 0.684 93 G HN 1.373 nan 8.290 nan 0.000 0.518 94 N N 1.199 119.871 118.700 -0.047 0.000 2.297 94 N HA 0.357 5.092 4.740 -0.008 0.000 0.232 94 N C 0.882 176.370 175.510 -0.036 0.000 1.311 94 N CA 0.630 53.660 53.050 -0.035 0.000 0.897 94 N CB 0.777 39.250 38.487 -0.023 0.000 1.137 94 N HN 0.937 nan 8.380 nan 0.000 0.449 95 V N -1.770 118.126 119.914 -0.030 0.000 2.521 95 V HA 0.460 4.576 4.120 -0.008 0.000 0.286 95 V C 1.509 177.588 176.094 -0.025 0.000 1.034 95 V CA 0.143 62.426 62.300 -0.028 0.000 1.045 95 V CB 0.039 31.848 31.823 -0.024 0.000 0.974 95 V HN 0.973 nan 8.190 nan 0.000 0.480 96 G N 2.966 111.750 108.800 -0.027 0.000 2.308 96 G HA2 -0.221 3.734 3.960 -0.008 0.000 0.221 96 G HA3 -0.221 3.734 3.960 -0.008 0.000 0.221 96 G C -0.007 174.877 174.900 -0.026 0.000 1.032 96 G CA 0.092 45.178 45.100 -0.023 0.000 0.623 96 G HN 0.794 nan 8.290 nan 0.000 0.506 97 D N 1.137 121.517 120.400 -0.033 0.000 2.548 97 D HA 0.314 4.949 4.640 -0.008 0.000 0.231 97 D C 0.990 177.260 176.300 -0.050 0.000 1.142 97 D CA 0.476 54.452 54.000 -0.041 0.000 0.866 97 D CB 0.494 41.261 40.800 -0.054 0.000 1.190 97 D HN 0.404 nan 8.370 nan 0.000 0.469 98 D N -0.441 119.931 120.400 -0.047 0.000 2.349 98 D HA 0.053 4.688 4.640 -0.008 0.000 0.224 98 D C 0.100 176.352 176.300 -0.081 0.000 1.029 98 D CA 0.387 54.358 54.000 -0.048 0.000 0.879 98 D CB 0.150 40.935 40.800 -0.024 0.000 0.906 98 D HN 0.474 nan 8.370 nan 0.000 0.528 99 c N -1.351 117.176 118.600 -0.122 0.000 3.241 99 c HA 0.738 5.303 4.570 -0.008 0.000 0.312 99 c C -1.188 172.776 174.090 -0.209 0.000 1.350 99 c CA -1.288 54.925 56.329 -0.195 0.000 1.415 99 c CB 1.349 43.678 42.510 -0.301 0.000 1.770 99 c HN 0.039 nan 8.230 nan 0.000 0.466 100 N N 0.256 118.813 118.700 -0.238 0.000 2.621 100 N HA 0.568 5.303 4.740 -0.008 0.000 0.271 100 N C -1.676 173.678 175.510 -0.259 0.000 1.181 100 N CA -0.241 52.680 53.050 -0.214 0.000 0.805 100 N CB 1.394 39.797 38.487 -0.140 0.000 1.351 100 N HN 0.792 nan 8.380 nan 0.000 0.539 101 V N 4.769 124.468 119.914 -0.359 0.000 2.443 101 V HA 0.470 4.586 4.120 -0.008 0.000 0.272 101 V C -2.139 173.805 176.094 -0.250 0.000 1.002 101 V CA -1.151 60.951 62.300 -0.330 0.000 0.840 101 V CB 1.239 32.767 31.823 -0.491 0.000 1.042 101 V HN 0.481 nan 8.190 nan 0.000 0.446 102 P HA 0.322 nan 4.420 nan 0.000 0.275 102 P C -0.158 177.084 177.300 -0.096 0.000 1.266 102 P CA -0.440 62.615 63.100 -0.075 0.000 0.793 102 P CB 1.018 32.694 31.700 -0.040 0.000 1.074 103 I N 1.240 121.752 120.570 -0.097 0.000 2.752 103 I HA 0.080 4.245 4.170 -0.008 0.000 0.287 103 I C -1.810 173.978 176.117 -0.547 0.000 1.188 103 I CA -2.651 58.436 61.300 -0.355 0.000 1.427 103 I CB -1.523 36.309 38.000 -0.280 0.000 1.365 103 I HN 0.231 nan 8.210 nan 0.000 0.585 104 P HA -0.017 nan 4.420 nan 0.000 0.260 104 P C 0.763 177.544 177.300 -0.865 0.000 1.172 104 P CA 0.229 62.797 63.100 -0.887 0.000 0.760 104 P CB 0.237 31.130 31.700 -1.345 0.000 0.773 105 S N 3.871 119.347 115.700 -0.373 0.000 2.442 105 S HA -0.132 4.333 4.470 -0.008 0.000 0.236 105 S C 1.578 176.111 174.600 -0.111 0.000 1.007 105 S CA 0.317 58.465 58.200 -0.087 0.000 0.965 105 S CB -0.996 62.233 63.200 0.050 0.000 0.773 105 S HN 0.672 nan 8.310 nan 0.000 0.504 106 W N 1.429 122.660 121.300 -0.114 0.000 2.519 106 W HA 0.094 4.749 4.660 -0.008 0.000 0.266 106 W C 1.294 177.720 176.519 -0.156 0.000 1.253 106 W CA 0.472 57.760 57.345 -0.094 0.000 1.274 106 W CB -1.041 28.360 29.460 -0.100 0.000 1.114 106 W HN 0.145 nan 8.180 nan 0.000 0.596 107 V N 1.128 120.474 119.914 -0.947 0.000 2.392 107 V HA -0.320 3.795 4.120 -0.008 0.000 0.249 107 V C 2.045 177.854 176.094 -0.474 0.000 1.059 107 V CA 2.440 64.254 62.300 -0.809 0.000 1.051 107 V CB -1.201 29.874 31.823 -1.247 0.000 0.658 107 V HN 0.221 nan 8.190 nan 0.000 0.455 108 W N 0.241 121.467 121.300 -0.124 0.000 2.465 108 W HA -0.031 4.625 4.660 -0.008 0.000 0.268 108 W C 2.118 178.647 176.519 0.016 0.000 1.242 108 W CA 0.435 57.759 57.345 -0.035 0.000 1.248 108 W CB -0.680 28.759 29.460 -0.036 0.000 1.118 108 W HN 0.257 nan 8.180 nan 0.000 0.587 109 N N 0.576 119.400 118.700 0.207 0.000 2.550 109 N HA -0.110 4.625 4.740 -0.008 0.000 0.186 109 N C 1.263 176.849 175.510 0.127 0.000 1.110 109 N CA 0.809 53.958 53.050 0.164 0.000 0.912 109 N CB -0.428 38.150 38.487 0.151 0.000 0.968 109 N HN 0.457 nan 8.380 nan 0.000 0.448 110 Q N -0.198 119.668 119.800 0.110 0.000 2.369 110 Q HA 0.074 4.409 4.340 -0.008 0.000 0.206 110 Q C -0.080 175.954 176.000 0.057 0.000 0.963 110 Q CA 0.902 56.755 55.803 0.083 0.000 0.894 110 Q CB 0.395 29.176 28.738 0.072 0.000 0.965 110 Q HN 0.107 nan 8.270 nan 0.000 0.475 111 K N -0.713 119.727 120.400 0.068 0.000 2.426 111 K HA 0.223 4.538 4.320 -0.008 0.000 0.251 111 K C 0.003 176.637 176.600 0.058 0.000 0.941 111 K CA -0.164 56.142 56.287 0.032 0.000 0.808 111 K CB 2.027 34.514 32.500 -0.020 0.000 1.265 111 K HN -0.085 nan 8.250 nan 0.000 0.432 112 S N -1.167 114.554 115.700 0.035 0.000 2.539 112 S HA 0.023 4.488 4.470 -0.008 0.000 0.221 112 S C 0.330 174.956 174.600 0.043 0.000 0.987 112 S CA -0.176 58.055 58.200 0.052 0.000 0.929 112 S CB -0.144 63.085 63.200 0.047 0.000 0.832 112 S HN 0.633 nan 8.310 nan 0.000 0.492 113 D N 2.003 122.404 120.400 0.003 0.000 2.530 113 D HA 0.257 4.892 4.640 -0.008 0.000 0.282 113 D C -0.107 176.161 176.300 -0.053 0.000 1.204 113 D CA -0.436 53.558 54.000 -0.010 0.000 1.093 113 D CB -0.041 40.746 40.800 -0.021 0.000 1.154 113 D HN 0.131 nan 8.370 nan 0.000 0.593 114 D N -1.911 118.414 120.400 -0.125 0.000 2.427 114 D HA 0.029 4.665 4.640 -0.008 0.000 0.224 114 D C 1.042 176.983 176.300 -0.598 0.000 1.157 114 D CA -0.119 53.642 54.000 -0.398 0.000 0.828 114 D CB -0.356 40.281 40.800 -0.271 0.000 0.974 114 D HN 0.238 nan 8.370 nan 0.000 0.498 115 S N -0.005 115.406 115.700 -0.482 0.000 2.423 115 S HA -0.094 4.371 4.470 -0.008 0.000 0.231 115 S C 1.733 176.086 174.600 -0.411 0.000 1.014 115 S CA 0.341 58.163 58.200 -0.630 0.000 0.965 115 S CB -0.568 61.867 63.200 -1.274 0.000 0.785 115 S HN 0.356 nan 8.310 nan 0.000 0.495 116 L N -0.023 121.033 121.223 -0.279 0.000 2.509 116 L HA 0.277 4.612 4.340 -0.008 0.000 0.222 116 L C 0.890 177.785 176.870 0.041 0.000 1.123 116 L CA -0.115 54.698 54.840 -0.045 0.000 0.856 116 L CB -0.351 41.831 42.059 0.206 0.000 0.985 116 L HN 0.506 nan 8.230 nan 0.000 0.456 117 Y N -2.803 117.488 120.300 -0.014 0.000 2.805 117 Y HA 0.709 5.255 4.550 -0.008 0.000 0.321 117 Y C -0.580 175.202 175.900 -0.196 0.000 1.203 117 Y CA -2.223 55.810 58.100 -0.112 0.000 1.165 117 Y CB 0.263 38.692 38.460 -0.052 0.000 1.371 117 Y HN -0.296 nan 8.280 nan 0.000 0.564 118 F N 0.405 120.605 119.950 0.416 0.000 2.492 118 F HA 0.626 5.148 4.527 -0.008 0.000 0.327 118 F C -0.197 175.814 175.800 0.351 0.000 1.079 118 F CA -0.950 57.245 58.000 0.324 0.000 0.967 118 F CB 2.066 41.231 39.000 0.275 0.000 1.169 118 F HN 0.405 nan 8.300 nan 0.000 0.472 119 K N 1.331 122.042 120.400 0.518 0.000 2.426 119 K HA 0.544 4.859 4.320 -0.008 0.000 0.254 119 K C -0.428 176.417 176.600 0.409 0.000 0.936 119 K CA -0.493 56.034 56.287 0.399 0.000 0.801 119 K CB 1.526 34.243 32.500 0.362 0.000 1.139 119 K HN 0.752 nan 8.250 nan 0.000 0.424 120 S N 2.426 118.285 115.700 0.264 0.000 2.681 120 S HA 0.143 4.608 4.470 -0.008 0.000 0.270 120 S C 0.797 175.346 174.600 -0.084 0.000 1.209 120 S CA -0.222 58.095 58.200 0.194 0.000 0.988 120 S CB 1.006 64.266 63.200 0.101 0.000 1.006 120 S HN 0.761 nan 8.310 nan 0.000 0.558 121 E N 0.326 120.319 120.200 -0.346 0.000 2.130 121 E HA -0.146 4.200 4.350 -0.008 0.000 0.196 121 E C 1.594 177.903 176.600 -0.485 0.000 0.998 121 E CA 1.756 57.615 56.400 -0.902 0.000 0.806 121 E CB -0.505 28.965 29.700 -0.382 0.000 0.738 121 E HN 0.915 nan 8.360 nan 0.000 0.459 122 T N -3.541 110.883 114.554 -0.217 0.000 3.122 122 T HA 0.374 4.719 4.350 -0.008 0.000 0.250 122 T C 1.327 175.987 174.700 -0.068 0.000 1.067 122 T CA 0.278 62.306 62.100 -0.120 0.000 0.966 122 T CB 0.893 69.723 68.868 -0.063 0.000 1.002 122 T HN 0.295 nan 8.240 nan 0.000 0.542 123 G N 1.095 109.866 108.800 -0.049 0.000 2.195 123 G HA2 -0.231 3.724 3.960 -0.008 0.000 0.224 123 G HA3 -0.231 3.724 3.960 -0.008 0.000 0.224 123 G C 0.193 175.121 174.900 0.047 0.000 0.990 123 G CA -0.117 44.993 45.100 0.017 0.000 0.639 123 G HN 0.714 nan 8.290 nan 0.000 0.514 124 T N 1.237 115.815 114.554 0.041 0.000 2.916 124 T HA 0.445 4.791 4.350 -0.008 0.000 0.303 124 T C 0.523 175.283 174.700 0.100 0.000 1.025 124 T CA 0.100 62.229 62.100 0.048 0.000 1.142 124 T CB 2.439 71.332 68.868 0.042 0.000 0.947 124 T HN 0.462 nan 8.240 nan 0.000 0.544 125 V N 4.301 124.256 119.914 0.068 0.000 2.481 125 V HA 0.372 4.487 4.120 -0.008 0.000 0.286 125 V C 0.386 176.534 176.094 0.089 0.000 1.042 125 V CA -0.824 61.530 62.300 0.090 0.000 0.928 125 V CB 1.484 33.251 31.823 -0.093 0.000 0.986 125 V HN 0.840 nan 8.190 nan 0.000 0.462 126 N N 3.739 122.571 118.700 0.219 0.000 2.314 126 N HA 0.433 5.168 4.740 -0.008 0.000 0.294 126 N C -0.548 175.130 175.510 0.281 0.000 1.029 126 N CA -0.556 52.626 53.050 0.220 0.000 0.845 126 N CB 1.973 40.616 38.487 0.261 0.000 1.321 126 N HN 0.617 nan 8.380 nan 0.000 0.481 127 K N 1.980 122.469 120.400 0.148 0.000 2.792 127 K HA 0.082 4.397 4.320 -0.008 0.000 0.207 127 K C 0.554 177.345 176.600 0.319 0.000 1.103 127 K CA -0.076 56.301 56.287 0.150 0.000 1.048 127 K CB 0.620 32.931 32.500 -0.314 0.000 0.777 127 K HN 0.629 nan 8.250 nan 0.000 0.468 128 E N 0.300 120.693 120.200 0.322 0.000 2.489 128 E HA -0.003 4.342 4.350 -0.008 0.000 0.193 128 E C 0.135 176.957 176.600 0.370 0.000 1.057 128 E CA 0.500 57.073 56.400 0.289 0.000 0.866 128 E CB 0.553 30.369 29.700 0.194 0.000 0.916 128 E HN -0.045 nan 8.360 nan 0.000 0.500 129 T N -0.319 114.504 114.554 0.448 0.000 2.827 129 T HA 0.333 4.678 4.350 -0.008 0.000 0.328 129 T C -1.300 173.626 174.700 0.377 0.000 1.598 129 T CA -0.765 61.594 62.100 0.431 0.000 1.043 129 T CB 0.923 70.039 68.868 0.413 0.000 1.447 129 T HN 0.137 nan 8.240 nan 0.000 0.491 130 L N 3.066 124.449 121.223 0.267 0.000 2.436 130 L HA 0.404 4.739 4.340 -0.008 0.000 0.265 130 L C 1.056 177.838 176.870 -0.147 0.000 1.168 130 L CA -0.778 54.104 54.840 0.070 0.000 0.815 130 L CB 0.421 42.508 42.059 0.046 0.000 1.109 130 L HN 0.614 nan 8.230 nan 0.000 0.462 131 N N 3.758 122.207 118.700 -0.418 0.000 2.452 131 N HA 0.060 4.795 4.740 -0.008 0.000 0.266 131 N C -1.765 173.581 175.510 -0.274 0.000 1.175 131 N CA -1.381 51.298 53.050 -0.619 0.000 0.945 131 N CB 1.357 39.471 38.487 -0.622 0.000 1.063 131 N HN 0.292 nan 8.380 nan 0.000 0.472 132 P HA -0.079 nan 4.420 nan 0.000 0.236 132 P C 1.405 178.641 177.300 -0.107 0.000 1.172 132 P CA 0.683 63.577 63.100 -0.344 0.000 0.759 132 P CB 0.338 31.634 31.700 -0.673 0.000 0.843 133 L N -0.638 120.563 121.223 -0.037 0.000 2.217 133 L HA -0.004 4.331 4.340 -0.008 0.000 0.211 133 L C 1.790 178.763 176.870 0.171 0.000 1.107 133 L CA 0.673 55.585 54.840 0.119 0.000 0.783 133 L CB -0.666 41.563 42.059 0.283 0.000 0.919 133 L HN -0.093 nan 8.230 nan 0.000 0.442 134 A N -0.274 122.564 122.820 0.030 0.000 3.033 134 A HA 0.116 4.431 4.320 -0.008 0.000 0.250 134 A C 1.771 179.333 177.584 -0.036 0.000 1.633 134 A CA 0.421 52.432 52.037 -0.043 0.000 1.290 134 A CB -0.529 18.388 19.000 -0.138 0.000 1.048 134 A HN 0.428 nan 8.150 nan 0.000 0.648 135 S N 0.519 116.230 115.700 0.019 0.000 2.423 135 S HA -0.187 4.278 4.470 -0.008 0.000 0.231 135 S C 1.418 175.997 174.600 -0.034 0.000 1.014 135 S CA 1.125 59.316 58.200 -0.015 0.000 0.965 135 S CB -0.308 62.904 63.200 0.021 0.000 0.785 135 S HN 0.729 nan 8.310 nan 0.000 0.495 136 D N 2.110 122.505 120.400 -0.008 0.000 2.117 136 D HA -0.086 4.549 4.640 -0.008 0.000 0.197 136 D C 1.906 178.190 176.300 -0.027 0.000 0.987 136 D CA 1.015 55.011 54.000 -0.007 0.000 0.829 136 D CB -0.870 39.938 40.800 0.014 0.000 0.961 136 D HN 0.425 nan 8.370 nan 0.000 0.460 137 V N 1.151 121.039 119.914 -0.043 0.000 2.379 137 V HA -0.141 3.975 4.120 -0.008 0.000 0.245 137 V C 2.708 178.752 176.094 -0.084 0.000 1.044 137 V CA 0.893 63.169 62.300 -0.040 0.000 1.036 137 V CB -0.304 31.491 31.823 -0.046 0.000 0.664 137 V HN 0.192 nan 8.190 nan 0.000 0.453 138 I N 0.191 120.648 120.570 -0.188 0.000 2.179 138 I HA -0.260 3.905 4.170 -0.008 0.000 0.242 138 I C 2.680 178.585 176.117 -0.354 0.000 1.088 138 I CA 1.867 62.904 61.300 -0.439 0.000 1.357 138 I CB -0.888 36.817 38.000 -0.491 0.000 1.051 138 I HN 0.327 nan 8.210 nan 0.000 0.409 139 R N 1.685 122.061 120.500 -0.208 0.000 2.112 139 R HA -0.259 4.076 4.340 -0.008 0.000 0.242 139 R C 2.396 178.643 176.300 -0.088 0.000 1.137 139 R CA 2.201 58.219 56.100 -0.137 0.000 0.944 139 R CB -0.232 30.023 30.300 -0.076 0.000 0.857 139 R HN 0.267 nan 8.270 nan 0.000 0.435 140 K N -0.059 120.315 120.400 -0.043 0.000 1.973 140 K HA -0.172 4.143 4.320 -0.008 0.000 0.212 140 K C 1.930 178.559 176.600 0.049 0.000 1.047 140 K CA 1.855 58.151 56.287 0.015 0.000 0.937 140 K CB -0.051 32.480 32.500 0.052 0.000 0.721 140 K HN 0.174 nan 8.250 nan 0.000 0.440 141 E N -0.204 120.047 120.200 0.086 0.000 2.107 141 E HA -0.157 4.189 4.350 -0.008 0.000 0.191 141 E C 2.127 178.747 176.600 0.032 0.000 0.982 141 E CA 1.098 57.606 56.400 0.179 0.000 0.809 141 E CB -0.244 29.663 29.700 0.345 0.000 0.756 141 E HN 0.431 nan 8.360 nan 0.000 0.459 142 Y N 0.718 120.786 120.300 -0.387 0.000 2.286 142 Y HA 0.059 4.604 4.550 -0.008 0.000 0.293 142 Y C 2.529 177.985 175.900 -0.740 0.000 1.124 142 Y CA 0.598 58.248 58.100 -0.751 0.000 1.178 142 Y CB -1.170 36.791 38.460 -0.832 0.000 1.010 142 Y HN 0.055 nan 8.280 nan 0.000 0.536 143 G N 0.060 108.714 108.800 -0.243 0.000 2.491 143 G HA2 -0.280 3.676 3.960 -0.008 0.000 0.218 143 G HA3 -0.280 3.676 3.960 -0.008 0.000 0.218 143 G C 1.567 176.423 174.900 -0.073 0.000 1.180 143 G CA 1.173 46.181 45.100 -0.153 0.000 0.774 143 G HN 0.406 nan 8.290 nan 0.000 0.562 144 E N -0.353 119.858 120.200 0.018 0.000 2.058 144 E HA -0.142 4.204 4.350 -0.008 0.000 0.194 144 E C 2.405 179.095 176.600 0.149 0.000 0.997 144 E CA 1.036 57.523 56.400 0.145 0.000 0.801 144 E CB -0.203 29.666 29.700 0.282 0.000 0.746 144 E HN 0.345 nan 8.360 nan 0.000 0.450 145 L N 0.127 121.409 121.223 0.098 0.000 2.072 145 L HA -0.153 4.182 4.340 -0.008 0.000 0.205 145 L C 1.986 178.946 176.870 0.150 0.000 1.079 145 L CA 1.595 56.497 54.840 0.104 0.000 0.752 145 L CB -0.436 41.576 42.059 -0.079 0.000 0.906 145 L HN 0.101 nan 8.230 nan 0.000 0.436 146 Y N -0.156 120.114 120.300 -0.050 0.000 2.181 146 Y HA -0.144 4.402 4.550 -0.007 0.000 0.288 146 Y C 2.697 178.517 175.900 -0.134 0.000 1.146 146 Y CA 1.370 59.433 58.100 -0.062 0.000 1.164 146 Y CB -1.792 36.531 38.460 -0.228 0.000 0.982 146 Y HN 0.206 nan 8.280 nan 0.000 0.515 147 T N 0.028 114.589 114.554 0.012 0.000 2.821 147 T HA -0.098 4.247 4.350 -0.008 0.000 0.267 147 T C 2.197 176.863 174.700 -0.057 0.000 1.046 147 T CA 1.230 63.300 62.100 -0.050 0.000 1.139 147 T CB -0.420 68.431 68.868 -0.028 0.000 0.871 147 T HN 0.389 nan 8.240 nan 0.000 0.454 148 A N 0.825 123.575 122.820 -0.116 0.000 1.897 148 A HA 0.084 4.399 4.320 -0.008 0.000 0.215 148 A C 1.973 179.245 177.584 -0.520 0.000 1.181 148 A CA 0.913 52.786 52.037 -0.273 0.000 0.620 148 A CB -0.914 17.703 19.000 -0.639 0.000 0.821 148 A HN 0.452 nan 8.150 nan 0.000 0.443 149 F N 1.194 120.776 119.950 -0.612 0.000 2.069 149 F HA -0.154 4.368 4.527 -0.009 0.000 0.298 149 F C 2.564 178.202 175.800 -0.270 0.000 1.113 149 F CA 1.437 59.005 58.000 -0.721 0.000 1.214 149 F CB -0.446 38.428 39.000 -0.210 0.000 0.978 149 F HN 0.252 nan 8.300 nan 0.000 0.474 150 A N 0.303 123.237 122.820 0.190 0.000 1.908 150 A HA -0.156 4.159 4.320 -0.008 0.000 0.218 150 A C 2.386 180.012 177.584 0.069 0.000 1.181 150 A CA 2.074 54.317 52.037 0.344 0.000 0.627 150 A CB -1.618 17.579 19.000 0.328 0.000 0.818 150 A HN 0.537 nan 8.150 nan 0.000 0.445 151 A N -0.483 122.283 122.820 -0.090 0.000 1.930 151 A HA 0.227 4.543 4.320 -0.008 0.000 0.217 151 A C 2.429 179.905 177.584 -0.180 0.000 1.175 151 A CA 1.890 53.857 52.037 -0.116 0.000 0.627 151 A CB -0.820 18.124 19.000 -0.093 0.000 0.815 151 A HN 1.066 nan 8.150 nan 0.000 0.443 152 A N -1.630 120.973 122.820 -0.362 0.000 2.016 152 A HA 0.083 4.398 4.320 -0.008 0.000 0.217 152 A C 1.910 179.339 177.584 -0.258 0.000 1.162 152 A CA 1.580 53.417 52.037 -0.332 0.000 0.662 152 A CB -0.279 18.353 19.000 -0.613 0.000 0.812 152 A HN 0.387 nan 8.150 nan 0.000 0.450 153 M N -0.830 118.566 119.600 -0.341 0.000 2.510 153 M HA 0.154 4.629 4.480 -0.008 0.000 0.256 153 M C 1.602 178.009 176.300 0.177 0.000 1.132 153 M CA 0.459 55.707 55.300 -0.087 0.000 1.105 153 M CB -0.960 31.401 32.600 -0.399 0.000 1.375 153 M HN 0.512 nan 8.290 nan 0.000 0.477 154 K N 1.100 121.534 120.400 0.056 0.000 2.117 154 K HA -0.219 4.096 4.320 -0.008 0.000 0.215 154 K C -1.111 175.375 176.600 -0.190 0.000 1.053 154 K CA 2.056 58.247 56.287 -0.160 0.000 0.935 154 K CB -0.867 31.518 32.500 -0.191 0.000 0.719 154 K HN 0.184 nan 8.250 nan 0.000 0.460 155 P HA -0.094 nan 4.420 nan 0.000 0.226 155 P C -0.114 176.825 177.300 -0.601 0.000 1.153 155 P CA 1.132 63.942 63.100 -0.484 0.000 0.777 155 P CB 0.119 31.353 31.700 -0.778 0.000 0.794 156 Y N -0.670 119.625 120.300 -0.009 0.000 2.636 156 Y HA 0.191 4.735 4.550 -0.009 0.000 0.260 156 Y C 1.908 177.861 175.900 0.089 0.000 1.177 156 Y CA -0.544 57.565 58.100 0.015 0.000 1.209 156 Y CB -0.422 38.032 38.460 -0.010 0.000 1.166 156 Y HN -0.047 nan 8.280 nan 0.000 0.531 157 K N 0.462 120.966 120.400 0.173 0.000 2.281 157 K HA -0.208 4.107 4.320 -0.008 0.000 0.203 157 K C 1.036 177.743 176.600 0.177 0.000 1.046 157 K CA 2.144 58.592 56.287 0.268 0.000 0.938 157 K CB -0.259 32.185 32.500 -0.093 0.000 0.737 157 K HN 0.354 nan 8.250 nan 0.000 0.458 158 D N 1.452 121.906 120.400 0.091 0.000 2.269 158 D HA -0.125 4.511 4.640 -0.008 0.000 0.208 158 D C 1.861 178.205 176.300 0.074 0.000 0.963 158 D CA 1.367 55.407 54.000 0.066 0.000 0.864 158 D CB -0.043 40.774 40.800 0.028 0.000 0.936 158 D HN 0.363 nan 8.370 nan 0.000 0.505 159 V N -1.625 118.349 119.914 0.101 0.000 3.608 159 V HA 0.245 4.360 4.120 -0.008 0.000 0.269 159 V C 1.099 177.222 176.094 0.047 0.000 1.245 159 V CA -0.362 61.977 62.300 0.065 0.000 1.138 159 V CB -0.582 31.294 31.823 0.089 0.000 0.841 159 V HN -0.030 nan 8.190 nan 0.000 0.451 160 I N 1.615 122.229 120.570 0.074 0.000 2.312 160 I HA 0.505 4.670 4.170 -0.008 0.000 0.291 160 I C 1.285 177.406 176.117 0.007 0.000 1.031 160 I CA 0.276 61.580 61.300 0.007 0.000 1.293 160 I CB 1.449 39.406 38.000 -0.071 0.000 1.403 160 I HN 0.200 nan 8.210 nan 0.000 0.484 161 A N 6.367 129.172 122.820 -0.025 0.000 2.140 161 A HA 0.182 4.497 4.320 -0.008 0.000 0.209 161 A C 0.698 178.258 177.584 -0.040 0.000 1.181 161 A CA 0.543 52.605 52.037 0.042 0.000 0.824 161 A CB 0.342 19.437 19.000 0.158 0.000 0.879 161 A HN 0.746 nan 8.150 nan 0.000 0.480 162 K N -1.106 119.200 120.400 -0.156 0.000 2.625 162 K HA 0.573 4.889 4.320 -0.008 0.000 0.284 162 K C -2.275 174.114 176.600 -0.352 0.000 0.984 162 K CA -0.650 55.486 56.287 -0.251 0.000 0.865 162 K CB 0.841 33.166 32.500 -0.291 0.000 1.468 162 K HN 0.063 nan 8.250 nan 0.000 0.407 163 I N 2.988 123.299 120.570 -0.433 0.000 2.465 163 I HA 0.356 4.521 4.170 -0.008 0.000 0.291 163 I C -1.228 174.633 176.117 -0.427 0.000 1.014 163 I CA -0.928 60.070 61.300 -0.503 0.000 1.093 163 I CB 1.479 39.005 38.000 -0.791 0.000 1.267 163 I HN 0.541 nan 8.210 nan 0.000 0.431 164 Y N 5.769 125.859 120.300 -0.351 0.000 2.387 164 Y HA 0.592 5.138 4.550 -0.007 0.000 0.330 164 Y C -0.123 175.606 175.900 -0.284 0.000 1.133 164 Y CA -0.403 57.542 58.100 -0.258 0.000 1.152 164 Y CB 1.599 39.931 38.460 -0.212 0.000 1.215 164 Y HN 0.288 nan 8.280 nan 0.000 0.466 165 L N 1.526 122.745 121.223 -0.006 0.000 2.334 165 L HA 0.537 4.873 4.340 -0.008 0.000 0.270 165 L C 0.028 176.924 176.870 0.043 0.000 1.018 165 L CA -1.050 53.756 54.840 -0.057 0.000 0.811 165 L CB 1.636 43.669 42.059 -0.043 0.000 1.271 165 L HN 0.447 nan 8.230 nan 0.000 0.443 166 S N -0.007 115.729 115.700 0.059 0.000 2.452 166 S HA 0.421 4.886 4.470 -0.008 0.000 0.284 166 S C 0.719 175.434 174.600 0.191 0.000 1.171 166 S CA -0.362 57.908 58.200 0.116 0.000 1.064 166 S CB 0.867 64.199 63.200 0.219 0.000 0.967 166 S HN 0.798 nan 8.310 nan 0.000 0.484 167 G N 2.743 111.649 108.800 0.177 0.000 3.233 167 G HA2 0.568 4.523 3.960 -0.008 0.000 0.234 167 G HA3 0.568 4.523 3.960 -0.008 0.000 0.234 167 G C 0.561 175.592 174.900 0.218 0.000 1.137 167 G CA 0.145 45.410 45.100 0.274 0.000 0.763 167 G HN 1.143 nan 8.290 nan 0.000 0.549 168 G N -0.259 108.625 108.800 0.140 0.000 2.399 168 G HA2 0.402 4.357 3.960 -0.008 0.000 0.256 168 G HA3 0.402 4.357 3.960 -0.008 0.000 0.256 168 G C -3.238 171.661 174.900 -0.003 0.000 1.236 168 G CA -0.687 44.468 45.100 0.091 0.000 0.914 168 G HN -0.054 nan 8.290 nan 0.000 0.482 169 P HA 0.364 nan 4.420 nan 0.000 0.264 169 P C 0.688 177.878 177.300 -0.184 0.000 1.193 169 P CA 1.800 64.878 63.100 -0.036 0.000 0.763 169 P CB 1.083 32.742 31.700 -0.068 0.000 0.810 170 A N 3.278 125.957 122.820 -0.236 0.000 2.829 170 A HA -0.111 4.205 4.320 -0.008 0.000 0.267 170 A C 1.435 178.752 177.584 -0.445 0.000 1.370 170 A CA 1.689 53.596 52.037 -0.217 0.000 0.900 170 A CB -2.501 16.489 19.000 -0.018 0.000 1.044 170 A HN 1.164 nan 8.150 nan 0.000 0.691 171 G N -2.303 105.937 108.800 -0.933 0.000 2.143 171 G HA2 -0.178 3.777 3.960 -0.008 0.000 0.249 171 G HA3 -0.178 3.777 3.960 -0.008 0.000 0.249 171 G C -0.247 174.570 174.900 -0.138 0.000 0.981 171 G CA 0.948 45.757 45.100 -0.485 0.000 0.665 171 G HN 1.241 nan 8.290 nan 0.000 0.528 172 E N -0.828 119.324 120.200 -0.081 0.000 2.207 172 E HA 0.597 4.942 4.350 -0.008 0.000 0.270 172 E C -0.177 176.500 176.600 0.127 0.000 0.927 172 E CA -1.115 55.332 56.400 0.078 0.000 0.799 172 E CB 2.042 31.809 29.700 0.111 0.000 1.172 172 E HN 0.231 nan 8.360 nan 0.000 0.404 173 L N 4.682 126.053 121.223 0.247 0.000 2.363 173 L HA 0.283 4.619 4.340 -0.008 0.000 0.286 173 L C -0.386 176.625 176.870 0.236 0.000 1.106 173 L CA 0.674 55.661 54.840 0.244 0.000 0.859 173 L CB -0.633 41.648 42.059 0.370 0.000 1.223 173 L HN 0.614 nan 8.230 nan 0.000 0.446 174 R N 2.382 122.876 120.500 -0.010 0.000 2.789 174 R HA 0.349 4.684 4.340 -0.008 0.000 0.279 174 R C -1.666 174.432 176.300 -0.336 0.000 1.010 174 R CA -1.036 54.954 56.100 -0.185 0.000 0.855 174 R CB 0.364 30.550 30.300 -0.189 0.000 1.312 174 R HN 0.233 nan 8.270 nan 0.000 0.479 175 Y N 0.468 120.566 120.300 -0.337 0.000 2.457 175 Y HA 0.428 4.974 4.550 -0.008 0.000 0.333 175 Y C -1.723 173.902 175.900 -0.460 0.000 1.119 175 Y CA -2.275 55.556 58.100 -0.448 0.000 1.143 175 Y CB 1.816 40.055 38.460 -0.368 0.000 1.230 175 Y HN 0.398 nan 8.280 nan 0.000 0.469 176 P HA 0.019 nan 4.420 nan 0.000 0.226 176 P C -0.009 177.158 177.300 -0.223 0.000 1.783 176 P CA 0.185 63.063 63.100 -0.369 0.000 0.980 176 P CB -0.153 31.313 31.700 -0.391 0.000 1.967 177 S N -0.255 115.370 115.700 -0.124 0.000 2.527 177 S HA -0.049 4.416 4.470 -0.008 0.000 0.222 177 S C 0.589 175.288 174.600 0.165 0.000 0.985 177 S CA -0.059 58.153 58.200 0.020 0.000 0.921 177 S CB -0.953 62.263 63.200 0.027 0.000 0.772 177 S HN 0.373 nan 8.310 nan 0.000 0.529 178 Y N 1.849 122.193 120.300 0.074 0.000 2.447 178 Y HA 0.760 5.305 4.550 -0.008 0.000 0.325 178 Y C -0.287 175.670 175.900 0.094 0.000 0.976 178 Y CA -1.289 56.897 58.100 0.144 0.000 1.280 178 Y CB 0.237 38.899 38.460 0.336 0.000 1.104 178 Y HN 0.135 nan 8.280 nan 0.000 0.486 179 T N -1.565 113.077 114.554 0.147 0.000 2.894 179 T HA 0.318 4.663 4.350 -0.008 0.000 0.309 179 T C 0.463 175.201 174.700 0.064 0.000 1.208 179 T CA -0.596 61.547 62.100 0.071 0.000 1.016 179 T CB 1.576 70.456 68.868 0.020 0.000 1.192 179 T HN 0.416 nan 8.240 nan 0.000 0.491 180 T N 1.290 115.870 114.554 0.042 0.000 2.746 180 T HA -0.080 4.265 4.350 -0.008 0.000 0.267 180 T C 2.167 176.878 174.700 0.019 0.000 1.039 180 T CA 1.785 63.900 62.100 0.026 0.000 1.142 180 T CB -0.540 68.336 68.868 0.014 0.000 0.866 180 T HN 0.663 nan 8.240 nan 0.000 0.444 181 S N 1.195 116.904 115.700 0.015 0.000 2.399 181 S HA -0.105 4.360 4.470 -0.008 0.000 0.231 181 S C 1.729 176.338 174.600 0.015 0.000 1.022 181 S CA 0.978 59.184 58.200 0.009 0.000 0.983 181 S CB -0.303 62.899 63.200 0.004 0.000 0.803 181 S HN 0.402 nan 8.310 nan 0.000 0.480 182 D N 0.181 120.597 120.400 0.026 0.000 2.340 182 D HA 0.172 4.807 4.640 -0.008 0.000 0.220 182 D C 1.155 177.473 176.300 0.030 0.000 1.039 182 D CA 0.570 54.588 54.000 0.030 0.000 0.866 182 D CB -0.132 40.694 40.800 0.042 0.000 0.913 182 D HN 0.395 nan 8.370 nan 0.000 0.523 183 G N 0.650 109.468 108.800 0.030 0.000 2.198 183 G HA2 -0.257 3.698 3.960 -0.008 0.000 0.257 183 G HA3 -0.257 3.698 3.960 -0.008 0.000 0.257 183 G C 0.693 175.618 174.900 0.042 0.000 1.042 183 G CA 0.815 45.931 45.100 0.027 0.000 0.791 183 G HN 0.419 nan 8.290 nan 0.000 0.502 184 T N -2.397 112.200 114.554 0.072 0.000 3.296 184 T HA 0.596 4.941 4.350 -0.008 0.000 0.285 184 T C 1.204 176.001 174.700 0.162 0.000 1.014 184 T CA 0.679 62.849 62.100 0.117 0.000 0.920 184 T CB 1.027 69.981 68.868 0.144 0.000 1.143 184 T HN 1.335 nan 8.240 nan 0.000 0.522 185 G N 0.874 109.727 108.800 0.088 0.000 2.636 185 G HA2 0.376 4.331 3.960 -0.008 0.000 0.246 185 G HA3 0.376 4.331 3.960 -0.008 0.000 0.246 185 G C -0.419 174.414 174.900 -0.113 0.000 1.216 185 G CA -0.798 44.337 45.100 0.059 0.000 0.854 185 G HN 0.500 nan 8.290 nan 0.000 0.572 186 Y N 1.777 121.747 120.300 -0.551 0.000 2.805 186 Y HA 0.209 4.754 4.550 -0.008 0.000 0.337 186 Y C -1.131 174.458 175.900 -0.519 0.000 1.252 186 Y CA -0.942 56.536 58.100 -1.036 0.000 1.515 186 Y CB 0.914 38.589 38.460 -1.307 0.000 1.305 186 Y HN 0.327 nan 8.280 nan 0.000 0.600 187 P HA 0.211 nan 4.420 nan 0.000 0.250 187 P C -0.930 176.140 177.300 -0.384 0.000 1.808 187 P CA -0.199 62.087 63.100 -1.357 0.000 1.117 187 P CB 0.104 30.890 31.700 -1.523 0.000 1.602 188 S N 0.915 116.515 115.700 -0.166 0.000 2.641 188 S HA 0.343 4.808 4.470 -0.008 0.000 0.261 188 S C 0.678 175.398 174.600 0.200 0.000 1.257 188 S CA -0.715 57.503 58.200 0.031 0.000 0.983 188 S CB 0.468 63.678 63.200 0.017 0.000 0.990 188 S HN 0.361 nan 8.310 nan 0.000 0.572 189 R N -0.284 120.288 120.500 0.121 0.000 2.679 189 R HA 0.573 4.909 4.340 -0.008 0.000 0.269 189 R C 0.449 176.811 176.300 0.102 0.000 1.076 189 R CA -0.418 55.739 56.100 0.095 0.000 1.160 189 R CB -0.188 30.143 30.300 0.051 0.000 1.054 189 R HN 0.632 nan 8.270 nan 0.000 0.507 190 G N 1.011 109.839 108.800 0.047 0.000 2.522 190 G HA2 0.344 4.299 3.960 -0.008 0.000 0.304 190 G HA3 0.344 4.299 3.960 -0.008 0.000 0.304 190 G C -0.975 173.907 174.900 -0.031 0.000 1.210 190 G CA -1.058 44.074 45.100 0.053 0.000 0.960 190 G HN 0.506 nan 8.290 nan 0.000 0.497 191 K N -0.438 119.956 120.400 -0.010 0.000 2.164 191 K HA 0.400 4.716 4.320 -0.008 0.000 0.258 191 K C -0.870 175.726 176.600 -0.005 0.000 0.951 191 K CA -0.448 55.854 56.287 0.025 0.000 0.844 191 K CB 1.704 34.243 32.500 0.065 0.000 1.099 191 K HN 0.323 nan 8.250 nan 0.000 0.435 192 F N 1.419 121.406 119.950 0.062 0.000 2.496 192 F HA 0.010 4.533 4.527 -0.008 0.000 0.344 192 F C 1.366 177.309 175.800 0.238 0.000 1.155 192 F CA 0.365 58.383 58.000 0.030 0.000 1.302 192 F CB 0.589 39.507 39.000 -0.136 0.000 1.159 192 F HN 0.292 nan 8.300 nan 0.000 0.595 193 Q N 1.966 121.980 119.800 0.358 0.000 2.215 193 Q HA 0.348 4.683 4.340 -0.008 0.000 0.337 193 Q C -0.370 175.879 176.000 0.415 0.000 0.887 193 Q CA -0.057 55.956 55.803 0.351 0.000 1.134 193 Q CB 1.313 30.149 28.738 0.163 0.000 1.303 193 Q HN 0.648 nan 8.270 nan 0.000 0.421 194 A N 0.109 123.099 122.820 0.285 0.000 2.985 194 A HA 0.402 4.717 4.320 -0.008 0.000 0.303 194 A C -0.349 177.173 177.584 -0.103 0.000 1.048 194 A CA -0.229 51.920 52.037 0.186 0.000 1.016 194 A CB -0.102 19.050 19.000 0.254 0.000 1.118 194 A HN 0.237 nan 8.150 nan 0.000 0.529 195 Y N 0.369 120.811 120.300 0.237 0.000 2.584 195 Y HA 0.132 4.678 4.550 -0.008 0.000 0.254 195 Y C 1.389 177.390 175.900 0.168 0.000 1.177 195 Y CA 0.112 58.312 58.100 0.166 0.000 1.216 195 Y CB 0.149 38.681 38.460 0.120 0.000 1.172 195 Y HN 0.411 nan 8.280 nan 0.000 0.529 196 T N -2.227 112.493 114.554 0.277 0.000 2.860 196 T HA 0.037 4.382 4.350 -0.008 0.000 0.299 196 T C 1.151 175.962 174.700 0.185 0.000 1.045 196 T CA -0.531 61.690 62.100 0.201 0.000 1.071 196 T CB 1.175 70.107 68.868 0.105 0.000 0.985 196 T HN 0.135 nan 8.240 nan 0.000 0.537 197 E N 0.011 120.309 120.200 0.163 0.000 2.268 197 E HA -0.042 4.303 4.350 -0.008 0.000 0.195 197 E C 1.357 178.072 176.600 0.192 0.000 0.995 197 E CA 0.569 57.060 56.400 0.152 0.000 0.836 197 E CB -0.336 29.444 29.700 0.133 0.000 0.763 197 E HN 0.748 nan 8.360 nan 0.000 0.491 198 F N 1.616 121.592 119.950 0.042 0.000 2.098 198 F HA -0.063 4.460 4.527 -0.008 0.000 0.294 198 F C 2.333 178.205 175.800 0.120 0.000 1.107 198 F CA 1.215 59.249 58.000 0.057 0.000 1.234 198 F CB -0.477 38.532 39.000 0.015 0.000 1.002 198 F HN -0.011 nan 8.300 nan 0.000 0.472 199 A N 0.296 123.274 122.820 0.263 0.000 1.917 199 A HA -0.243 4.072 4.320 -0.008 0.000 0.219 199 A C 2.279 179.935 177.584 0.121 0.000 1.182 199 A CA 2.011 54.218 52.037 0.284 0.000 0.633 199 A CB -0.722 18.489 19.000 0.352 0.000 0.819 199 A HN 0.440 nan 8.150 nan 0.000 0.448 200 K N -0.481 119.960 120.400 0.070 0.000 2.002 200 K HA -0.099 4.216 4.320 -0.008 0.000 0.209 200 K C 2.434 179.019 176.600 -0.025 0.000 1.048 200 K CA 1.515 57.814 56.287 0.020 0.000 0.930 200 K CB -0.330 32.203 32.500 0.055 0.000 0.714 200 K HN 0.403 nan 8.250 nan 0.000 0.438 201 S N 1.027 116.702 115.700 -0.040 0.000 2.370 201 S HA -0.145 4.320 4.470 -0.008 0.000 0.226 201 S C 1.851 176.370 174.600 -0.135 0.000 1.033 201 S CA 1.479 59.626 58.200 -0.088 0.000 1.011 201 S CB -0.084 63.046 63.200 -0.117 0.000 0.852 201 S HN 0.154 nan 8.310 nan 0.000 0.457 202 K N 0.394 120.697 120.400 -0.163 0.000 2.148 202 K HA 0.069 4.384 4.320 -0.008 0.000 0.204 202 K C 1.596 178.149 176.600 -0.078 0.000 1.050 202 K CA 0.737 57.002 56.287 -0.037 0.000 0.942 202 K CB -0.372 32.198 32.500 0.116 0.000 0.724 202 K HN 0.353 nan 8.250 nan 0.000 0.446 203 F N 1.348 120.896 119.950 -0.670 0.000 2.163 203 F HA -0.029 4.493 4.527 -0.008 0.000 0.297 203 F C 2.134 177.697 175.800 -0.395 0.000 1.094 203 F CA 1.251 58.522 58.000 -1.215 0.000 1.290 203 F CB -0.297 37.905 39.000 -1.329 0.000 1.017 203 F HN -0.082 nan 8.300 nan 0.000 0.483 204 R N 0.361 120.674 120.500 -0.312 0.000 2.105 204 R HA -0.167 4.168 4.340 -0.008 0.000 0.239 204 R C 2.151 178.341 176.300 -0.183 0.000 1.135 204 R CA 1.865 57.796 56.100 -0.282 0.000 0.967 204 R CB -0.593 29.623 30.300 -0.139 0.000 0.861 204 R HN 0.448 nan 8.270 nan 0.000 0.442 205 L N -0.662 120.505 121.223 -0.093 0.000 2.109 205 L HA -0.110 4.226 4.340 -0.008 0.000 0.207 205 L C 2.244 179.146 176.870 0.053 0.000 1.086 205 L CA 1.314 56.142 54.840 -0.019 0.000 0.760 205 L CB -0.384 41.681 42.059 0.010 0.000 0.910 205 L HN 0.336 nan 8.230 nan 0.000 0.437 206 W N -0.422 120.813 121.300 -0.108 0.000 2.381 206 W HA -0.184 4.471 4.660 -0.008 0.000 0.301 206 W C 2.219 178.670 176.519 -0.114 0.000 1.205 206 W CA 1.466 58.800 57.345 -0.019 0.000 1.285 206 W CB -0.154 29.404 29.460 0.164 0.000 1.133 206 W HN -0.190 nan 8.180 nan 0.000 0.521 207 V N 1.490 121.499 119.914 0.158 0.000 2.287 207 V HA -0.350 3.766 4.120 -0.008 0.000 0.248 207 V C 2.293 178.290 176.094 -0.162 0.000 1.053 207 V CA 2.150 64.439 62.300 -0.019 0.000 1.027 207 V CB -1.021 30.663 31.823 -0.231 0.000 0.646 207 V HN 0.263 nan 8.190 nan 0.000 0.447 208 L N 1.133 122.268 121.223 -0.146 0.000 2.201 208 L HA -0.106 4.230 4.340 -0.008 0.000 0.212 208 L C 2.278 179.060 176.870 -0.147 0.000 1.105 208 L CA 1.523 56.284 54.840 -0.132 0.000 0.775 208 L CB -0.627 41.368 42.059 -0.106 0.000 0.913 208 L HN 0.562 nan 8.230 nan 0.000 0.440 209 N N 0.803 119.395 118.700 -0.181 0.000 2.412 209 N HA -0.156 4.579 4.740 -0.008 0.000 0.184 209 N C 1.543 176.859 175.510 -0.324 0.000 1.101 209 N CA 0.602 53.534 53.050 -0.196 0.000 0.881 209 N CB 0.221 38.627 38.487 -0.136 0.000 0.969 209 N HN 0.379 nan 8.380 nan 0.000 0.459 210 K N -0.662 119.441 120.400 -0.496 0.000 2.211 210 K HA -0.013 4.302 4.320 -0.008 0.000 0.201 210 K C 0.639 176.848 176.600 -0.651 0.000 1.052 210 K CA 0.637 56.494 56.287 -0.716 0.000 0.973 210 K CB -0.014 31.817 32.500 -1.115 0.000 0.766 210 K HN 0.027 nan 8.250 nan 0.000 0.466 211 Y N -0.895 119.248 120.300 -0.261 0.000 2.498 211 Y HA 0.302 4.848 4.550 -0.008 0.000 0.259 211 Y C 1.675 177.469 175.900 -0.177 0.000 1.086 211 Y CA 0.324 58.290 58.100 -0.223 0.000 1.287 211 Y CB 1.182 39.465 38.460 -0.294 0.000 1.146 211 Y HN 0.339 nan 8.280 nan 0.000 0.523 212 G N 0.031 108.802 108.800 -0.048 0.000 2.420 212 G HA2 -0.274 3.681 3.960 -0.008 0.000 0.221 212 G HA3 -0.274 3.681 3.960 -0.008 0.000 0.221 212 G C 0.426 175.293 174.900 -0.055 0.000 1.117 212 G CA 0.355 45.421 45.100 -0.056 0.000 0.657 212 G HN 0.713 nan 8.290 nan 0.000 0.512 213 S N -1.033 114.634 115.700 -0.055 0.000 2.638 213 S HA 0.705 5.170 4.470 -0.008 0.000 0.274 213 S C 0.736 175.271 174.600 -0.109 0.000 1.157 213 S CA 0.327 58.483 58.200 -0.073 0.000 0.826 213 S CB 1.638 64.802 63.200 -0.060 0.000 1.139 213 S HN 1.294 nan 8.310 nan 0.000 0.474 214 L N 2.351 123.510 121.223 -0.107 0.000 1.990 214 L HA -0.074 4.261 4.340 -0.008 0.000 0.213 214 L C 2.130 178.919 176.870 -0.135 0.000 1.072 214 L CA 2.333 57.096 54.840 -0.127 0.000 0.755 214 L CB -1.329 40.679 42.059 -0.085 0.000 0.889 214 L HN 0.908 nan 8.230 nan 0.000 0.432 215 N N -0.942 117.699 118.700 -0.097 0.000 2.069 215 N HA -0.242 4.493 4.740 -0.008 0.000 0.196 215 N C 1.458 176.893 175.510 -0.126 0.000 1.024 215 N CA 1.599 54.595 53.050 -0.090 0.000 0.869 215 N CB -0.088 38.361 38.487 -0.063 0.000 1.035 215 N HN 0.441 nan 8.380 nan 0.000 0.434 216 E N 0.258 120.371 120.200 -0.144 0.000 2.358 216 E HA -0.031 4.314 4.350 -0.008 0.000 0.195 216 E C 1.996 178.330 176.600 -0.444 0.000 1.010 216 E CA 0.275 56.558 56.400 -0.195 0.000 0.856 216 E CB 0.084 29.732 29.700 -0.087 0.000 0.795 216 E HN 0.245 nan 8.360 nan 0.000 0.504 217 V N 1.931 121.552 119.914 -0.488 0.000 2.346 217 V HA -0.162 3.953 4.120 -0.008 0.000 0.244 217 V C 1.956 177.681 176.094 -0.616 0.000 1.037 217 V CA 1.201 62.954 62.300 -0.911 0.000 1.029 217 V CB -0.380 30.957 31.823 -0.809 0.000 0.663 217 V HN 0.181 nan 8.190 nan 0.000 0.454 218 N N 0.598 119.126 118.700 -0.286 0.000 2.272 218 N HA -0.200 4.536 4.740 -0.008 0.000 0.185 218 N C 1.794 177.263 175.510 -0.068 0.000 1.014 218 N CA 1.736 54.732 53.050 -0.091 0.000 0.870 218 N CB -0.175 38.273 38.487 -0.065 0.000 0.975 218 N HN 0.644 nan 8.380 nan 0.000 0.433 219 K N 0.389 120.700 120.400 -0.148 0.000 2.099 219 K HA 0.212 4.527 4.320 -0.008 0.000 0.203 219 K C 1.820 178.361 176.600 -0.098 0.000 1.047 219 K CA 1.186 57.413 56.287 -0.099 0.000 0.963 219 K CB -0.487 31.955 32.500 -0.097 0.000 0.759 219 K HN -0.061 nan 8.250 nan 0.000 0.451 220 A N -0.022 122.644 122.820 -0.257 0.000 2.019 220 A HA -0.068 4.247 4.320 -0.008 0.000 0.219 220 A C 1.385 179.038 177.584 0.115 0.000 1.164 220 A CA 1.165 53.098 52.037 -0.174 0.000 0.644 220 A CB -0.809 17.863 19.000 -0.547 0.000 0.805 220 A HN 0.593 nan 8.150 nan 0.000 0.449 221 W N -1.077 120.132 121.300 -0.152 0.000 3.114 221 W HA 0.361 5.016 4.660 -0.008 0.000 0.279 221 W C 1.448 177.948 176.519 -0.030 0.000 1.277 221 W CA -0.046 57.274 57.345 -0.041 0.000 1.630 221 W CB -0.802 28.641 29.460 -0.027 0.000 1.087 221 W HN 0.538 nan 8.180 nan 0.000 0.637 222 G N 2.356 111.249 108.800 0.156 0.000 2.371 222 G HA2 -0.222 3.733 3.960 -0.008 0.000 0.299 222 G HA3 -0.222 3.733 3.960 -0.008 0.000 0.299 222 G C 0.253 175.198 174.900 0.075 0.000 1.014 222 G CA 0.835 45.982 45.100 0.078 0.000 1.097 222 G HN 0.199 nan 8.290 nan 0.000 0.512 223 T N -2.674 111.936 114.554 0.093 0.000 2.883 223 T HA 0.808 5.153 4.350 -0.008 0.000 0.284 223 T C -0.059 174.663 174.700 0.038 0.000 1.041 223 T CA -0.896 61.246 62.100 0.070 0.000 1.007 223 T CB 2.153 71.099 68.868 0.130 0.000 1.220 223 T HN 0.268 nan 8.240 nan 0.000 0.552 224 K N 1.451 121.864 120.400 0.021 0.000 3.146 224 K HA 0.345 4.661 4.320 -0.008 0.000 0.168 224 K C -1.026 175.577 176.600 0.005 0.000 1.075 224 K CA -0.424 55.867 56.287 0.007 0.000 0.843 224 K CB 0.087 32.586 32.500 -0.002 0.000 1.002 224 K HN 0.410 nan 8.250 nan 0.000 0.597 225 L N 0.730 121.963 121.223 0.016 0.000 2.331 225 L HA 0.343 4.678 4.340 -0.008 0.000 0.278 225 L C 1.765 178.634 176.870 -0.001 0.000 1.106 225 L CA -0.416 54.432 54.840 0.014 0.000 0.824 225 L CB 0.401 42.482 42.059 0.037 0.000 1.142 225 L HN 0.316 nan 8.230 nan 0.000 0.443 226 I N 1.412 121.980 120.570 -0.003 0.000 2.163 226 I HA -0.182 3.983 4.170 -0.008 0.000 0.243 226 I C 1.093 177.204 176.117 -0.010 0.000 1.085 226 I CA 1.611 62.907 61.300 -0.007 0.000 1.347 226 I CB 0.241 38.238 38.000 -0.005 0.000 1.044 226 I HN 0.867 nan 8.210 nan 0.000 0.408 227 S N -0.456 115.240 115.700 -0.007 0.000 2.595 227 S HA 0.285 4.750 4.470 -0.008 0.000 0.281 227 S C 0.486 175.080 174.600 -0.010 0.000 1.117 227 S CA -0.438 57.755 58.200 -0.010 0.000 0.873 227 S CB 1.457 64.654 63.200 -0.005 0.000 1.108 227 S HN 0.401 nan 8.310 nan 0.000 0.477 228 E N 0.935 121.123 120.200 -0.021 0.000 2.472 228 E HA -0.082 4.263 4.350 -0.008 0.000 0.200 228 E C 1.290 177.883 176.600 -0.013 0.000 1.046 228 E CA 0.366 56.748 56.400 -0.030 0.000 0.871 228 E CB -0.420 29.251 29.700 -0.047 0.000 0.806 228 E HN 0.517 nan 8.360 nan 0.000 0.533 229 L N 1.122 122.344 121.223 -0.003 0.000 2.291 229 L HA 0.025 4.360 4.340 -0.008 0.000 0.214 229 L C 2.248 179.130 176.870 0.020 0.000 1.120 229 L CA 1.259 56.104 54.840 0.008 0.000 0.799 229 L CB -0.293 41.772 42.059 0.009 0.000 0.925 229 L HN 0.156 nan 8.230 nan 0.000 0.446 230 A N -1.141 121.691 122.820 0.021 0.000 2.238 230 A HA 0.174 4.490 4.320 -0.008 0.000 0.208 230 A C 1.062 178.684 177.584 0.063 0.000 1.177 230 A CA -0.124 51.931 52.037 0.031 0.000 0.804 230 A CB -0.681 18.331 19.000 0.020 0.000 0.823 230 A HN 0.264 nan 8.150 nan 0.000 0.482 231 I N 1.544 122.160 120.570 0.076 0.000 2.406 231 I HA 0.236 4.401 4.170 -0.008 0.000 0.293 231 I C -0.516 175.691 176.117 0.151 0.000 1.101 231 I CA 0.429 61.817 61.300 0.146 0.000 1.334 231 I CB 0.094 38.120 38.000 0.045 0.000 1.421 231 I HN 0.177 nan 8.210 nan 0.000 0.513 232 L N 7.797 129.157 121.223 0.227 0.000 2.341 232 L HA 0.607 4.942 4.340 -0.008 0.000 0.254 232 L C -2.366 174.637 176.870 0.221 0.000 1.040 232 L CA -1.959 53.004 54.840 0.203 0.000 0.837 232 L CB 2.176 44.282 42.059 0.079 0.000 1.425 232 L HN 0.284 nan 8.230 nan 0.000 0.414 233 P HA 0.201 nan 4.420 nan 0.000 0.274 233 P C -2.670 174.344 177.300 -0.476 0.000 1.260 233 P CA -1.366 61.351 63.100 -0.638 0.000 0.793 233 P CB -0.682 30.535 31.700 -0.805 0.000 1.048 234 P HA 0.004 nan 4.420 nan 0.000 0.263 234 P C 0.767 177.982 177.300 -0.141 0.000 1.195 234 P CA 0.457 63.267 63.100 -0.483 0.000 0.762 234 P CB -0.090 31.066 31.700 -0.907 0.000 0.799 235 S N 0.866 116.513 115.700 -0.089 0.000 2.428 235 S HA -0.068 4.397 4.470 -0.008 0.000 0.230 235 S C 0.652 175.228 174.600 -0.040 0.000 1.014 235 S CA 0.709 58.886 58.200 -0.039 0.000 0.957 235 S CB -0.232 62.941 63.200 -0.044 0.000 0.784 235 S HN 0.484 nan 8.310 nan 0.000 0.499 236 D N 0.363 120.748 120.400 -0.025 0.000 2.402 236 D HA 0.442 5.077 4.640 -0.008 0.000 0.252 236 D C 0.999 177.342 176.300 0.072 0.000 1.294 236 D CA -0.249 53.760 54.000 0.014 0.000 0.948 236 D CB 1.188 42.001 40.800 0.022 0.000 1.202 236 D HN 0.077 nan 8.370 nan 0.000 0.561 237 G N 2.916 111.774 108.800 0.096 0.000 2.469 237 G HA2 -0.297 3.658 3.960 -0.008 0.000 0.219 237 G HA3 -0.297 3.658 3.960 -0.008 0.000 0.219 237 G C 1.128 176.191 174.900 0.272 0.000 1.150 237 G CA 0.998 46.237 45.100 0.233 0.000 0.763 237 G HN 0.574 nan 8.290 nan 0.000 0.561 238 E N -0.439 119.860 120.200 0.165 0.000 2.031 238 E HA -0.162 4.183 4.350 -0.008 0.000 0.193 238 E C 2.623 179.301 176.600 0.130 0.000 0.994 238 E CA 0.999 57.478 56.400 0.131 0.000 0.800 238 E CB -0.072 29.678 29.700 0.083 0.000 0.752 238 E HN 0.290 nan 8.360 nan 0.000 0.447 239 Q N -0.023 119.847 119.800 0.115 0.000 2.030 239 Q HA -0.193 4.142 4.340 -0.008 0.000 0.204 239 Q C 2.090 178.167 176.000 0.129 0.000 0.986 239 Q CA 1.338 57.197 55.803 0.094 0.000 0.843 239 Q CB -0.696 28.083 28.738 0.069 0.000 0.904 239 Q HN 0.356 nan 8.270 nan 0.000 0.420 240 F N 1.162 121.138 119.950 0.044 0.000 2.087 240 F HA -0.228 4.295 4.527 -0.008 0.000 0.299 240 F C 2.024 177.930 175.800 0.176 0.000 1.100 240 F CA 1.331 59.363 58.000 0.054 0.000 1.226 240 F CB -0.191 38.761 39.000 -0.079 0.000 0.983 240 F HN 0.004 nan 8.300 nan 0.000 0.479 241 L N -0.848 120.519 121.223 0.240 0.000 2.313 241 L HA -0.153 4.182 4.340 -0.008 0.000 0.214 241 L C 2.323 179.256 176.870 0.106 0.000 1.119 241 L CA 0.658 55.574 54.840 0.127 0.000 0.809 241 L CB -0.419 41.719 42.059 0.132 0.000 0.933 241 L HN 0.256 nan 8.230 nan 0.000 0.449 242 M N -0.321 119.352 119.600 0.122 0.000 2.287 242 M HA -0.060 4.415 4.480 -0.008 0.000 0.266 242 M C 1.394 177.784 176.300 0.150 0.000 1.079 242 M CA 1.463 56.833 55.300 0.116 0.000 1.146 242 M CB 0.065 32.704 32.600 0.064 0.000 1.374 242 M HN 0.462 nan 8.290 nan 0.000 0.435 243 N N -2.504 116.225 118.700 0.048 0.000 1.862 243 N HA 0.018 4.753 4.740 -0.008 0.000 0.235 243 N C 1.393 176.732 175.510 -0.285 0.000 1.398 243 N CA 0.626 53.598 53.050 -0.130 0.000 0.779 243 N CB -0.211 38.223 38.487 -0.089 0.000 1.086 243 N HN 0.204 nan 8.380 nan 0.000 0.490 244 G N 1.577 110.224 108.800 -0.255 0.000 2.448 244 G HA2 -0.254 3.701 3.960 -0.008 0.000 0.219 244 G HA3 -0.254 3.701 3.960 -0.008 0.000 0.219 244 G C 1.335 175.822 174.900 -0.687 0.000 1.127 244 G CA 1.294 46.194 45.100 -0.333 0.000 0.766 244 G HN 0.521 nan 8.290 nan 0.000 0.552 245 Y N 0.307 119.998 120.300 -1.016 0.000 2.315 245 Y HA 0.087 4.632 4.550 -0.008 0.000 0.288 245 Y C 2.180 177.909 175.900 -0.286 0.000 1.154 245 Y CA 0.543 58.182 58.100 -0.769 0.000 1.229 245 Y CB -0.618 37.548 38.460 -0.491 0.000 0.980 245 Y HN 0.117 nan 8.280 nan 0.000 0.540 246 L N 0.883 121.557 121.223 -0.914 0.000 2.201 246 L HA -0.085 4.250 4.340 -0.008 0.000 0.212 246 L C 1.583 178.298 176.870 -0.257 0.000 1.105 246 L CA 0.750 55.222 54.840 -0.612 0.000 0.775 246 L CB -0.618 41.064 42.059 -0.627 0.000 0.913 246 L HN 0.392 nan 8.230 nan 0.000 0.440 247 S N -1.045 114.544 115.700 -0.184 0.000 2.600 247 S HA 0.018 4.483 4.470 -0.008 0.000 0.265 247 S C 0.892 175.505 174.600 0.021 0.000 1.325 247 S CA -0.568 57.598 58.200 -0.057 0.000 1.002 247 S CB 1.139 64.323 63.200 -0.026 0.000 0.921 247 S HN 0.131 nan 8.310 nan 0.000 0.554 248 M N 1.300 120.947 119.600 0.079 0.000 2.149 248 M HA -0.062 4.413 4.480 -0.008 0.000 0.261 248 M C 1.666 178.065 176.300 0.164 0.000 1.064 248 M CA 1.663 57.077 55.300 0.190 0.000 1.102 248 M CB -1.166 31.614 32.600 0.299 0.000 1.369 248 M HN 0.885 nan 8.290 nan 0.000 0.408 249 Y N 0.002 120.118 120.300 -0.307 0.000 2.114 249 Y HA -0.129 4.417 4.550 -0.008 0.000 0.282 249 Y C 2.055 177.947 175.900 -0.013 0.000 1.165 249 Y CA 2.159 59.884 58.100 -0.626 0.000 1.148 249 Y CB -1.060 36.908 38.460 -0.819 0.000 0.972 249 Y HN 0.260 nan 8.280 nan 0.000 0.504 250 G N -0.071 108.723 108.800 -0.010 0.000 2.408 250 G HA2 -0.227 3.728 3.960 -0.008 0.000 0.217 250 G HA3 -0.227 3.728 3.960 -0.008 0.000 0.217 250 G C 1.649 176.676 174.900 0.211 0.000 1.150 250 G CA 0.916 46.124 45.100 0.180 0.000 0.776 250 G HN 0.423 nan 8.290 nan 0.000 0.542 251 K N 0.164 120.656 120.400 0.154 0.000 2.103 251 K HA -0.005 4.311 4.320 -0.008 0.000 0.204 251 K C 2.023 178.776 176.600 0.256 0.000 1.052 251 K CA 1.075 57.477 56.287 0.191 0.000 0.945 251 K CB -0.025 32.585 32.500 0.183 0.000 0.722 251 K HN 0.096 nan 8.250 nan 0.000 0.443 252 D N 0.275 120.893 120.400 0.363 0.000 2.097 252 D HA -0.167 4.468 4.640 -0.008 0.000 0.197 252 D C 1.744 178.262 176.300 0.364 0.000 0.984 252 D CA 1.060 55.417 54.000 0.595 0.000 0.826 252 D CB -0.289 41.103 40.800 0.987 0.000 0.973 252 D HN 0.154 nan 8.370 nan 0.000 0.460 253 Y N 1.284 121.580 120.300 -0.006 0.000 2.181 253 Y HA -0.109 4.436 4.550 -0.008 0.000 0.288 253 Y C 2.125 177.900 175.900 -0.208 0.000 1.146 253 Y CA 1.283 59.120 58.100 -0.438 0.000 1.164 253 Y CB -0.314 37.528 38.460 -1.030 0.000 0.982 253 Y HN -0.091 nan 8.280 nan 0.000 0.515 254 L N 0.110 121.272 121.223 -0.103 0.000 2.141 254 L HA -0.166 4.169 4.340 -0.008 0.000 0.209 254 L C 2.520 179.354 176.870 -0.060 0.000 1.094 254 L CA 1.655 56.469 54.840 -0.044 0.000 0.763 254 L CB -0.523 41.640 42.059 0.173 0.000 0.908 254 L HN 0.332 nan 8.230 nan 0.000 0.437 255 E N -0.125 120.060 120.200 -0.026 0.000 2.028 255 E HA -0.282 4.063 4.350 -0.008 0.000 0.191 255 E C 2.084 178.578 176.600 -0.175 0.000 0.988 255 E CA 1.501 57.896 56.400 -0.008 0.000 0.799 255 E CB -0.249 29.569 29.700 0.196 0.000 0.755 255 E HN 0.435 nan 8.360 nan 0.000 0.447 256 W N 0.502 121.384 121.300 -0.696 0.000 2.317 256 W HA -0.318 4.338 4.660 -0.007 0.000 0.318 256 W C 2.142 178.353 176.519 -0.513 0.000 1.227 256 W CA 2.355 59.105 57.345 -0.992 0.000 1.269 256 W CB -0.848 27.849 29.460 -1.271 0.000 1.155 256 W HN 0.242 nan 8.180 nan 0.000 0.484 257 Y N 1.131 121.029 120.300 -0.670 0.000 2.145 257 Y HA -0.304 4.241 4.550 -0.008 0.000 0.286 257 Y C 2.819 178.520 175.900 -0.332 0.000 1.145 257 Y CA 2.851 60.546 58.100 -0.675 0.000 1.148 257 Y CB -1.013 37.060 38.460 -0.646 0.000 0.981 257 Y HN 0.214 nan 8.280 nan 0.000 0.507 258 Q N -0.529 119.192 119.800 -0.131 0.000 2.119 258 Q HA -0.079 4.257 4.340 -0.008 0.000 0.201 258 Q C 2.404 178.324 176.000 -0.133 0.000 0.972 258 Q CA 1.319 57.077 55.803 -0.075 0.000 0.847 258 Q CB -0.533 28.209 28.738 0.007 0.000 0.903 258 Q HN 0.602 nan 8.270 nan 0.000 0.433 259 G N 1.436 110.118 108.800 -0.197 0.000 2.442 259 G HA2 -0.244 3.711 3.960 -0.008 0.000 0.219 259 G HA3 -0.244 3.711 3.960 -0.008 0.000 0.219 259 G C 1.321 176.104 174.900 -0.195 0.000 1.141 259 G CA 0.883 45.894 45.100 -0.149 0.000 0.763 259 G HN 0.335 nan 8.290 nan 0.000 0.554 260 I N 1.130 121.474 120.570 -0.378 0.000 2.194 260 I HA -0.155 4.010 4.170 -0.008 0.000 0.246 260 I C 2.796 178.788 176.117 -0.208 0.000 1.093 260 I CA 0.842 61.937 61.300 -0.341 0.000 1.355 260 I CB -1.197 36.511 38.000 -0.486 0.000 1.046 260 I HN 0.190 nan 8.210 nan 0.000 0.413 261 L N -0.209 120.890 121.223 -0.208 0.000 2.156 261 L HA -0.148 4.187 4.340 -0.008 0.000 0.208 261 L C 2.412 179.296 176.870 0.023 0.000 1.095 261 L CA 0.965 55.741 54.840 -0.107 0.000 0.770 261 L CB -0.560 41.452 42.059 -0.077 0.000 0.914 261 L HN 0.231 nan 8.230 nan 0.000 0.439 262 E N 0.235 120.444 120.200 0.015 0.000 2.047 262 E HA -0.181 4.164 4.350 -0.008 0.000 0.191 262 E C 1.953 178.568 176.600 0.026 0.000 0.987 262 E CA 1.094 57.525 56.400 0.052 0.000 0.799 262 E CB 0.032 29.773 29.700 0.068 0.000 0.752 262 E HN 0.399 nan 8.360 nan 0.000 0.449 263 N N -0.054 118.653 118.700 0.012 0.000 2.166 263 N HA -0.168 4.567 4.740 -0.008 0.000 0.186 263 N C 1.651 177.173 175.510 0.020 0.000 1.019 263 N CA 1.048 54.107 53.050 0.015 0.000 0.856 263 N CB -0.375 38.118 38.487 0.010 0.000 0.993 263 N HN 0.225 nan 8.380 nan 0.000 0.426 264 H N 0.449 119.470 119.070 -0.081 0.000 2.321 264 H HA 0.014 4.566 4.556 -0.008 0.000 0.300 264 H C 1.609 176.891 175.328 -0.076 0.000 1.087 264 H CA 1.979 57.975 56.048 -0.086 0.000 1.319 264 H CB -0.360 29.341 29.762 -0.101 0.000 1.379 264 H HN 0.077 nan 8.280 nan 0.000 0.501 265 T N 0.564 115.083 114.554 -0.059 0.000 2.720 265 T HA -0.147 4.198 4.350 -0.008 0.000 0.268 265 T C 1.875 176.465 174.700 -0.184 0.000 1.037 265 T CA 1.787 63.766 62.100 -0.203 0.000 1.144 265 T CB -0.069 68.639 68.868 -0.267 0.000 0.864 265 T HN 0.389 nan 8.240 nan 0.000 0.444 266 K N 0.351 120.688 120.400 -0.104 0.000 2.103 266 K HA 0.073 4.388 4.320 -0.008 0.000 0.204 266 K C 2.216 178.781 176.600 -0.058 0.000 1.052 266 K CA 0.637 56.889 56.287 -0.060 0.000 0.945 266 K CB -0.319 32.169 32.500 -0.020 0.000 0.722 266 K HN 0.147 nan 8.250 nan 0.000 0.443 267 L N 2.085 123.252 121.223 -0.093 0.000 2.017 267 L HA -0.150 4.186 4.340 -0.008 0.000 0.208 267 L C 2.024 178.831 176.870 -0.104 0.000 1.073 267 L CA 1.546 56.325 54.840 -0.101 0.000 0.745 267 L CB -0.369 41.619 42.059 -0.119 0.000 0.894 267 L HN 0.239 nan 8.230 nan 0.000 0.432 268 I N -3.333 117.141 120.570 -0.160 0.000 2.500 268 I HA 0.102 4.267 4.170 -0.008 0.000 0.252 268 I C 2.316 178.464 176.117 0.053 0.000 1.142 268 I CA 1.045 62.331 61.300 -0.022 0.000 1.451 268 I CB -1.559 36.428 38.000 -0.021 0.000 1.093 268 I HN 0.198 nan 8.210 nan 0.000 0.430 269 G N 1.216 110.004 108.800 -0.020 0.000 2.545 269 G HA2 -0.324 3.631 3.960 -0.008 0.000 0.217 269 G HA3 -0.324 3.631 3.960 -0.008 0.000 0.217 269 G C 1.508 176.490 174.900 0.136 0.000 1.218 269 G CA 1.220 46.344 45.100 0.041 0.000 0.787 269 G HN 0.560 nan 8.290 nan 0.000 0.571 270 E N -0.061 120.200 120.200 0.101 0.000 2.086 270 E HA -0.184 4.162 4.350 -0.008 0.000 0.205 270 E C 2.634 179.293 176.600 0.098 0.000 1.027 270 E CA 1.374 57.834 56.400 0.100 0.000 0.830 270 E CB -0.248 29.474 29.700 0.037 0.000 0.751 270 E HN 0.486 nan 8.360 nan 0.000 0.456 271 L N -0.193 121.081 121.223 0.084 0.000 2.141 271 L HA -0.125 4.210 4.340 -0.008 0.000 0.209 271 L C 2.611 179.572 176.870 0.152 0.000 1.094 271 L CA 0.868 55.767 54.840 0.098 0.000 0.763 271 L CB -0.427 41.667 42.059 0.058 0.000 0.908 271 L HN 0.170 nan 8.230 nan 0.000 0.437 272 A N -0.806 122.108 122.820 0.157 0.000 1.872 272 A HA -0.189 4.126 4.320 -0.008 0.000 0.214 272 A C 2.171 179.703 177.584 -0.086 0.000 1.187 272 A CA 1.145 53.161 52.037 -0.034 0.000 0.614 272 A CB -0.687 18.257 19.000 -0.094 0.000 0.826 272 A HN 0.363 nan 8.150 nan 0.000 0.442 273 H N 0.374 119.479 119.070 0.058 0.000 2.321 273 H HA -0.092 4.459 4.556 -0.009 0.000 0.300 273 H C 1.837 177.169 175.328 0.007 0.000 1.087 273 H CA 1.778 57.859 56.048 0.055 0.000 1.319 273 H CB -0.244 29.541 29.762 0.038 0.000 1.379 273 H HN 0.423 nan 8.280 nan 0.000 0.501 274 N N 0.530 119.286 118.700 0.094 0.000 2.223 274 N HA -0.082 4.653 4.740 -0.008 0.000 0.185 274 N C 1.899 177.369 175.510 -0.067 0.000 1.016 274 N CA 1.113 54.176 53.050 0.021 0.000 0.863 274 N CB -0.190 38.303 38.487 0.010 0.000 0.983 274 N HN 0.344 nan 8.380 nan 0.000 0.429 275 A N -0.872 121.815 122.820 -0.221 0.000 1.984 275 A HA 0.161 4.476 4.320 -0.008 0.000 0.214 275 A C 1.330 178.635 177.584 -0.466 0.000 1.173 275 A CA 0.559 52.333 52.037 -0.438 0.000 0.673 275 A CB -0.165 18.386 19.000 -0.749 0.000 0.830 275 A HN 0.158 nan 8.150 nan 0.000 0.453 276 F N -0.327 119.687 119.950 0.107 0.000 2.653 276 F HA 0.147 4.669 4.527 -0.008 0.000 0.288 276 F C 1.588 177.502 175.800 0.189 0.000 1.121 276 F CA -0.173 57.944 58.000 0.195 0.000 1.384 276 F CB -0.231 38.829 39.000 0.101 0.000 1.115 276 F HN 0.067 nan 8.300 nan 0.000 0.599 277 D N 0.428 120.993 120.400 0.275 0.000 2.106 277 D HA -0.180 4.455 4.640 -0.008 0.000 0.191 277 D C 2.408 178.792 176.300 0.142 0.000 0.997 277 D CA 2.490 56.625 54.000 0.224 0.000 0.834 277 D CB -0.764 40.155 40.800 0.197 0.000 0.956 277 D HN 0.292 nan 8.370 nan 0.000 0.448 278 T N -2.387 112.218 114.554 0.085 0.000 2.867 278 T HA -0.084 4.261 4.350 -0.008 0.000 0.268 278 T C 1.967 176.654 174.700 -0.022 0.000 1.057 278 T CA 1.633 63.748 62.100 0.025 0.000 1.136 278 T CB -0.540 68.330 68.868 0.003 0.000 0.874 278 T HN -0.003 nan 8.240 nan 0.000 0.466 279 T N 0.963 115.490 114.554 -0.044 0.000 2.735 279 T HA 0.206 4.551 4.350 -0.008 0.000 0.256 279 T C 1.322 175.769 174.700 -0.423 0.000 1.042 279 T CA 0.946 62.878 62.100 -0.280 0.000 1.147 279 T CB -0.363 68.275 68.868 -0.384 0.000 0.865 279 T HN 0.405 nan 8.240 nan 0.000 0.421 280 F N 0.896 120.889 119.950 0.071 0.000 2.437 280 F HA 0.250 4.771 4.527 -0.010 0.000 0.288 280 F C 0.823 176.644 175.800 0.035 0.000 1.085 280 F CA -0.281 57.744 58.000 0.041 0.000 1.430 280 F CB -0.492 38.526 39.000 0.029 0.000 1.120 280 F HN 0.022 nan 8.300 nan 0.000 0.556 281 Q N 0.493 120.425 119.800 0.220 0.000 2.453 281 Q HA -0.116 4.220 4.340 -0.008 0.000 0.330 281 Q C -0.948 175.132 176.000 0.132 0.000 1.417 281 Q CA 0.454 56.345 55.803 0.146 0.000 0.902 281 Q CB -1.864 26.926 28.738 0.086 0.000 1.154 281 Q HN 0.302 nan 8.270 nan 0.000 0.395 282 V N -4.093 115.898 119.914 0.129 0.000 3.040 282 V HA 0.902 5.017 4.120 -0.008 0.000 0.312 282 V C -2.374 173.730 176.094 0.017 0.000 1.115 282 V CA -2.731 59.602 62.300 0.057 0.000 0.998 282 V CB 1.815 33.643 31.823 0.008 0.000 1.042 282 V HN 0.052 nan 8.190 nan 0.000 0.433 283 P HA 0.382 nan 4.420 nan 0.000 0.266 283 P C -0.681 176.536 177.300 -0.137 0.000 1.195 283 P CA 0.263 63.341 63.100 -0.037 0.000 0.768 283 P CB 0.249 31.923 31.700 -0.043 0.000 0.838 284 I N 1.558 122.047 120.570 -0.135 0.000 2.404 284 I HA 0.619 4.784 4.170 -0.008 0.000 0.293 284 I C 0.866 176.878 176.117 -0.175 0.000 0.992 284 I CA -0.419 60.745 61.300 -0.228 0.000 1.149 284 I CB 1.976 39.791 38.000 -0.307 0.000 1.315 284 I HN 0.379 nan 8.210 nan 0.000 0.446 285 G N 3.478 112.129 108.800 -0.249 0.000 2.658 285 G HA2 0.863 4.818 3.960 -0.008 0.000 0.292 285 G HA3 0.863 4.818 3.960 -0.008 0.000 0.292 285 G C -1.445 173.516 174.900 0.102 0.000 1.320 285 G CA -0.544 44.500 45.100 -0.094 0.000 0.933 285 G HN 0.795 nan 8.290 nan 0.000 0.476 286 A N -0.229 122.778 122.820 0.312 0.000 2.475 286 A HA 0.936 5.251 4.320 -0.008 0.000 0.281 286 A C -0.810 177.076 177.584 0.503 0.000 1.263 286 A CA -0.772 51.503 52.037 0.396 0.000 0.776 286 A CB 1.608 20.752 19.000 0.239 0.000 1.347 286 A HN 0.550 nan 8.150 nan 0.000 0.443 287 K N 0.212 120.846 120.400 0.391 0.000 2.378 287 K HA 0.634 4.949 4.320 -0.008 0.000 0.252 287 K C -1.649 175.139 176.600 0.312 0.000 0.931 287 K CA -0.190 56.269 56.287 0.286 0.000 0.794 287 K CB 2.220 34.791 32.500 0.117 0.000 1.181 287 K HN 0.536 nan 8.250 nan 0.000 0.425 288 I N 2.493 123.225 120.570 0.271 0.000 2.378 288 I HA 0.278 4.443 4.170 -0.008 0.000 0.291 288 I C 0.353 176.674 176.117 0.340 0.000 0.992 288 I CA -0.716 60.764 61.300 0.300 0.000 1.154 288 I CB 1.757 39.803 38.000 0.076 0.000 1.315 288 I HN 0.693 nan 8.210 nan 0.000 0.448 289 A N 4.362 127.447 122.820 0.442 0.000 2.448 289 A HA 0.450 4.766 4.320 -0.008 0.000 0.239 289 A C 0.730 178.467 177.584 0.254 0.000 1.080 289 A CA -0.032 52.202 52.037 0.327 0.000 0.779 289 A CB 0.078 19.339 19.000 0.434 0.000 1.026 289 A HN 0.899 nan 8.150 nan 0.000 0.499 290 G N 0.252 109.068 108.800 0.026 0.000 2.663 290 G HA2 0.472 4.427 3.960 -0.008 0.000 0.320 290 G HA3 0.472 4.427 3.960 -0.008 0.000 0.320 290 G C -0.469 174.542 174.900 0.185 0.000 0.937 290 G CA -0.237 44.861 45.100 -0.003 0.000 1.332 290 G HN 0.657 nan 8.290 nan 0.000 0.461 291 V N 4.136 124.143 119.914 0.154 0.000 2.267 291 V HA 0.105 4.220 4.120 -0.008 0.000 0.254 291 V C 0.988 176.920 176.094 -0.270 0.000 1.144 291 V CA -0.388 61.672 62.300 -0.400 0.000 0.992 291 V CB -0.601 30.997 31.823 -0.376 0.000 1.199 291 V HN 0.974 nan 8.190 nan 0.000 0.493 292 H N 0.994 120.042 119.070 -0.035 0.000 2.553 292 H HA 0.161 4.712 4.556 -0.008 0.000 0.265 292 H C 0.409 175.897 175.328 0.268 0.000 0.964 292 H CA -0.732 55.418 56.048 0.171 0.000 1.156 292 H CB -0.066 29.812 29.762 0.193 0.000 1.411 292 H HN 0.633 nan 8.280 nan 0.000 0.558 293 W N 0.387 121.544 121.300 -0.239 0.000 2.375 293 W HA 0.470 5.125 4.660 -0.008 0.000 0.336 293 W C -0.056 176.487 176.519 0.039 0.000 1.160 293 W CA -1.126 56.183 57.345 -0.060 0.000 1.266 293 W CB 1.003 30.337 29.460 -0.210 0.000 1.195 293 W HN -0.040 nan 8.180 nan 0.000 0.599 294 Q N 0.258 120.206 119.800 0.247 0.000 2.460 294 Q HA -0.350 3.985 4.340 -0.008 0.000 0.248 294 Q C 0.606 176.621 176.000 0.026 0.000 0.847 294 Q CA 1.690 57.575 55.803 0.137 0.000 1.214 294 Q CB -2.852 25.916 28.738 0.050 0.000 1.523 294 Q HN 0.925 nan 8.270 nan 0.000 0.602 295 Y N 2.412 122.688 120.300 -0.040 0.000 2.114 295 Y HA -0.160 4.385 4.550 -0.008 0.000 0.284 295 Y C 1.643 177.295 175.900 -0.413 0.000 1.143 295 Y CA 2.403 60.412 58.100 -0.152 0.000 1.135 295 Y CB 0.103 38.613 38.460 0.083 0.000 0.980 295 Y HN 0.441 nan 8.280 nan 0.000 0.499 296 N N 0.010 118.786 118.700 0.127 0.000 2.380 296 N HA 0.001 4.736 4.740 -0.008 0.000 0.255 296 N C -0.851 174.488 175.510 -0.285 0.000 1.158 296 N CA -0.131 52.908 53.050 -0.019 0.000 0.878 296 N CB -0.950 37.662 38.487 0.208 0.000 1.138 296 N HN 0.244 nan 8.380 nan 0.000 0.509 297 N N 2.516 120.916 118.700 -0.500 0.000 2.454 297 N HA 0.034 4.770 4.740 -0.008 0.000 0.260 297 N C -1.314 173.873 175.510 -0.537 0.000 1.218 297 N CA -0.882 51.570 53.050 -0.997 0.000 0.904 297 N CB 1.502 39.646 38.487 -0.572 0.000 1.065 297 N HN 0.104 nan 8.380 nan 0.000 0.462 298 P HA -0.078 nan 4.420 nan 0.000 0.218 298 P C 1.001 178.222 177.300 -0.131 0.000 1.152 298 P CA 1.500 64.477 63.100 -0.204 0.000 0.826 298 P CB 0.103 31.729 31.700 -0.123 0.000 0.790 299 T N -2.150 112.331 114.554 -0.121 0.000 3.044 299 T HA 0.108 4.453 4.350 -0.008 0.000 0.255 299 T C 1.291 175.963 174.700 -0.047 0.000 1.073 299 T CA 0.058 62.128 62.100 -0.050 0.000 1.125 299 T CB -0.736 68.125 68.868 -0.012 0.000 0.908 299 T HN 0.235 nan 8.240 nan 0.000 0.480 300 I N -0.139 120.371 120.570 -0.100 0.000 2.862 300 I HA 0.515 4.680 4.170 -0.008 0.000 0.285 300 I C -3.110 172.897 176.117 -0.184 0.000 1.339 300 I CA -2.999 58.243 61.300 -0.096 0.000 1.002 300 I CB 1.488 39.465 38.000 -0.037 0.000 1.618 300 I HN -0.218 nan 8.210 nan 0.000 0.593 301 P HA 0.020 nan 4.420 nan 0.000 0.268 301 P C -0.192 176.903 177.300 -0.343 0.000 1.205 301 P CA 0.694 63.578 63.100 -0.359 0.000 0.771 301 P CB 0.173 31.702 31.700 -0.286 0.000 0.858 302 H N 0.920 119.841 119.070 -0.249 0.000 2.655 302 H HA -0.155 4.396 4.556 -0.008 0.000 0.313 302 H C 1.460 176.664 175.328 -0.208 0.000 1.141 302 H CA 1.048 56.950 56.048 -0.244 0.000 1.138 302 H CB -2.153 27.438 29.762 -0.284 0.000 1.446 302 H HN 0.747 nan 8.280 nan 0.000 0.415 303 G N -0.611 108.109 108.800 -0.134 0.000 2.776 303 G HA2 0.160 4.115 3.960 -0.008 0.000 0.209 303 G HA3 0.160 4.115 3.960 -0.008 0.000 0.209 303 G C 1.418 176.245 174.900 -0.121 0.000 1.145 303 G CA 0.649 45.687 45.100 -0.103 0.000 0.791 303 G HN 0.577 nan 8.290 nan 0.000 0.530 304 A N -0.051 122.648 122.820 -0.203 0.000 2.167 304 A HA 0.380 4.695 4.320 -0.008 0.000 0.208 304 A C 1.858 179.257 177.584 -0.309 0.000 1.198 304 A CA 0.651 52.492 52.037 -0.326 0.000 0.863 304 A CB 0.297 18.808 19.000 -0.815 0.000 0.904 304 A HN 0.316 nan 8.150 nan 0.000 0.484 305 E N 0.340 120.424 120.200 -0.195 0.000 2.086 305 E HA -0.044 4.302 4.350 -0.008 0.000 0.190 305 E C 1.709 178.242 176.600 -0.112 0.000 0.975 305 E CA 0.748 57.089 56.400 -0.099 0.000 0.813 305 E CB -0.020 29.710 29.700 0.051 0.000 0.768 305 E HN 0.471 nan 8.360 nan 0.000 0.457 306 K N 0.583 120.916 120.400 -0.113 0.000 2.009 306 K HA -0.139 4.176 4.320 -0.008 0.000 0.210 306 K C -0.840 175.640 176.600 -0.201 0.000 1.049 306 K CA 1.637 57.880 56.287 -0.073 0.000 0.929 306 K CB -0.965 31.549 32.500 0.023 0.000 0.714 306 K HN 0.100 nan 8.250 nan 0.000 0.440 307 P HA -0.137 nan 4.420 nan 0.000 0.218 307 P C 0.828 178.026 177.300 -0.170 0.000 1.149 307 P CA 1.478 64.092 63.100 -0.810 0.000 0.817 307 P CB -0.025 31.198 31.700 -0.795 0.000 0.785 308 A N -0.914 121.824 122.820 -0.136 0.000 2.168 308 A HA 0.299 4.614 4.320 -0.008 0.000 0.215 308 A C 1.801 179.306 177.584 -0.131 0.000 1.152 308 A CA 1.329 53.286 52.037 -0.132 0.000 0.716 308 A CB -1.369 17.468 19.000 -0.272 0.000 0.794 308 A HN 0.298 nan 8.150 nan 0.000 0.465 309 G N -3.012 105.802 108.800 0.023 0.000 2.179 309 G HA2 -0.204 3.751 3.960 -0.008 0.000 0.220 309 G HA3 -0.204 3.751 3.960 -0.008 0.000 0.220 309 G C -0.194 174.779 174.900 0.121 0.000 0.990 309 G CA 0.110 45.257 45.100 0.078 0.000 0.646 309 G HN 0.365 nan 8.290 nan 0.000 0.517 310 Y N 1.738 122.023 120.300 -0.024 0.000 2.880 310 Y HA 0.436 4.982 4.550 -0.007 0.000 0.329 310 Y C 1.132 176.799 175.900 -0.388 0.000 1.156 310 Y CA -1.499 56.453 58.100 -0.246 0.000 1.348 310 Y CB -0.107 38.215 38.460 -0.231 0.000 1.280 310 Y HN 0.325 nan 8.280 nan 0.000 0.516 311 N N 0.861 119.492 118.700 -0.114 0.000 2.387 311 N HA -0.090 4.645 4.740 -0.008 0.000 0.176 311 N C -0.616 174.774 175.510 -0.199 0.000 1.022 311 N CA 0.553 53.524 53.050 -0.131 0.000 0.883 311 N CB 0.568 39.057 38.487 0.003 0.000 1.019 311 N HN 0.399 nan 8.380 nan 0.000 0.435 312 D N -0.498 119.801 120.400 -0.168 0.000 2.375 312 D HA 0.060 4.695 4.640 -0.008 0.000 0.241 312 D C -0.146 176.162 176.300 0.014 0.000 1.361 312 D CA -0.521 53.453 54.000 -0.043 0.000 0.995 312 D CB 0.200 41.069 40.800 0.114 0.000 1.312 312 D HN -0.024 nan 8.370 nan 0.000 0.576 313 Y N 1.588 121.898 120.300 0.017 0.000 2.333 313 Y HA -0.140 4.406 4.550 -0.007 0.000 0.290 313 Y C 2.556 178.439 175.900 -0.028 0.000 1.144 313 Y CA 1.212 59.280 58.100 -0.055 0.000 1.228 313 Y CB -0.218 38.163 38.460 -0.131 0.000 0.985 313 Y HN 0.374 nan 8.280 nan 0.000 0.542 314 S N -0.930 114.862 115.700 0.153 0.000 2.345 314 S HA -0.198 4.267 4.470 -0.008 0.000 0.220 314 S C 1.985 176.591 174.600 0.010 0.000 1.031 314 S CA 1.325 59.549 58.200 0.040 0.000 0.996 314 S CB -0.381 62.806 63.200 -0.023 0.000 0.882 314 S HN 0.537 nan 8.310 nan 0.000 0.445 315 H N 0.377 119.485 119.070 0.064 0.000 2.353 315 H HA -0.067 4.485 4.556 -0.007 0.000 0.300 315 H C 2.245 177.631 175.328 0.097 0.000 1.090 315 H CA 1.619 57.712 56.048 0.075 0.000 1.327 315 H CB -0.516 29.289 29.762 0.072 0.000 1.383 315 H HN 0.338 nan 8.280 nan 0.000 0.508 316 L N 1.126 122.490 121.223 0.234 0.000 2.012 316 L HA -0.177 4.158 4.340 -0.008 0.000 0.210 316 L C 2.383 179.400 176.870 0.245 0.000 1.073 316 L CA 1.367 56.339 54.840 0.220 0.000 0.748 316 L CB -0.711 41.450 42.059 0.170 0.000 0.891 316 L HN 0.137 nan 8.230 nan 0.000 0.431 317 L N -0.774 120.523 121.223 0.124 0.000 2.201 317 L HA -0.186 4.150 4.340 -0.008 0.000 0.212 317 L C 1.965 178.926 176.870 0.151 0.000 1.105 317 L CA 0.805 55.693 54.840 0.079 0.000 0.775 317 L CB -0.723 41.305 42.059 -0.052 0.000 0.913 317 L HN 0.307 nan 8.230 nan 0.000 0.440 318 D N 0.133 120.604 120.400 0.117 0.000 2.218 318 D HA -0.136 4.499 4.640 -0.008 0.000 0.204 318 D C 2.132 178.515 176.300 0.138 0.000 0.976 318 D CA 1.268 55.326 54.000 0.095 0.000 0.853 318 D CB 0.159 40.989 40.800 0.051 0.000 0.939 318 D HN 0.338 nan 8.370 nan 0.000 0.481 319 A N 0.011 122.950 122.820 0.198 0.000 1.874 319 A HA -0.073 4.242 4.320 -0.008 0.000 0.214 319 A C 1.887 179.565 177.584 0.157 0.000 1.189 319 A CA 0.537 52.666 52.037 0.153 0.000 0.615 319 A CB -0.840 18.245 19.000 0.142 0.000 0.830 319 A HN 0.095 nan 8.150 nan 0.000 0.443 320 F N 0.584 120.566 119.950 0.053 0.000 2.192 320 F HA -0.179 4.343 4.527 -0.009 0.000 0.301 320 F C 2.236 178.063 175.800 0.045 0.000 1.079 320 F CA 1.845 59.877 58.000 0.052 0.000 1.303 320 F CB -0.338 38.690 39.000 0.047 0.000 1.024 320 F HN 0.170 nan 8.300 nan 0.000 0.494 321 K N 0.897 121.421 120.400 0.207 0.000 2.002 321 K HA -0.142 4.174 4.320 -0.008 0.000 0.209 321 K C 2.187 178.831 176.600 0.074 0.000 1.048 321 K CA 2.044 58.400 56.287 0.115 0.000 0.930 321 K CB -0.698 31.852 32.500 0.083 0.000 0.714 321 K HN 0.214 nan 8.250 nan 0.000 0.438 322 S N 0.305 116.043 115.700 0.062 0.000 2.368 322 S HA -0.088 4.378 4.470 -0.008 0.000 0.225 322 S C 2.183 176.798 174.600 0.025 0.000 1.030 322 S CA 0.962 59.183 58.200 0.035 0.000 0.999 322 S CB -0.717 62.503 63.200 0.034 0.000 0.844 322 S HN 0.381 nan 8.310 nan 0.000 0.459 323 A N 1.506 124.343 122.820 0.029 0.000 2.216 323 A HA 0.101 4.416 4.320 -0.008 0.000 0.214 323 A C 0.812 178.461 177.584 0.109 0.000 1.160 323 A CA 0.480 52.540 52.037 0.038 0.000 0.725 323 A CB -0.767 18.211 19.000 -0.037 0.000 0.784 323 A HN 0.544 nan 8.150 nan 0.000 0.472 324 K N -1.219 119.233 120.400 0.087 0.000 3.419 324 K HA -0.166 4.149 4.320 -0.008 0.000 0.272 324 K C -1.046 175.698 176.600 0.241 0.000 0.973 324 K CA 0.628 56.995 56.287 0.133 0.000 0.749 324 K CB -1.979 30.520 32.500 -0.002 0.000 1.403 324 K HN 0.522 nan 8.250 nan 0.000 0.456 325 L N 1.108 122.427 121.223 0.159 0.000 2.341 325 L HA 0.346 4.682 4.340 -0.008 0.000 0.278 325 L C 0.382 177.372 176.870 0.199 0.000 1.005 325 L CA -1.233 53.689 54.840 0.137 0.000 0.818 325 L CB 1.427 43.513 42.059 0.046 0.000 1.259 325 L HN 0.046 nan 8.230 nan 0.000 0.418 326 D N 1.590 122.064 120.400 0.123 0.000 2.368 326 D HA 0.228 4.863 4.640 -0.008 0.000 0.240 326 D C -0.196 176.235 176.300 0.218 0.000 1.169 326 D CA -0.064 54.007 54.000 0.118 0.000 0.906 326 D CB 1.475 42.296 40.800 0.035 0.000 1.187 326 D HN 0.001 nan 8.370 nan 0.000 0.435 327 V N 1.095 121.102 119.914 0.155 0.000 2.483 327 V HA 0.378 4.493 4.120 -0.008 0.000 0.295 327 V C 0.413 176.615 176.094 0.180 0.000 1.035 327 V CA -0.357 62.005 62.300 0.103 0.000 0.896 327 V CB 1.904 33.637 31.823 -0.149 0.000 0.986 327 V HN 0.490 nan 8.190 nan 0.000 0.447 328 T N 5.113 119.827 114.554 0.268 0.000 2.829 328 T HA 0.623 4.968 4.350 -0.008 0.000 0.280 328 T C -1.068 173.837 174.700 0.342 0.000 0.999 328 T CA -0.147 62.154 62.100 0.335 0.000 0.983 328 T CB 1.138 70.242 68.868 0.394 0.000 0.968 328 T HN 0.397 nan 8.240 nan 0.000 0.446 329 F N 1.342 121.398 119.950 0.178 0.000 2.598 329 F HA 0.764 5.286 4.527 -0.009 0.000 0.327 329 F C 0.364 176.254 175.800 0.150 0.000 1.057 329 F CA -0.609 57.472 58.000 0.135 0.000 0.957 329 F CB 2.241 41.324 39.000 0.138 0.000 1.278 329 F HN 0.499 nan 8.300 nan 0.000 0.484 330 T N 0.148 114.297 114.554 -0.677 0.000 2.858 330 T HA 0.485 4.831 4.350 -0.008 0.000 0.285 330 T C -0.750 173.709 174.700 -0.403 0.000 1.052 330 T CA 0.073 61.952 62.100 -0.369 0.000 1.009 330 T CB 0.779 69.490 68.868 -0.261 0.000 1.241 330 T HN 0.880 nan 8.240 nan 0.000 0.542 331 C N 1.462 120.662 119.300 -0.167 0.000 4.603 331 C HA -0.077 4.378 4.460 -0.008 0.000 0.286 331 C C 1.645 176.589 174.990 -0.077 0.000 1.236 331 C CA -0.078 58.867 59.018 -0.122 0.000 2.097 331 C CB -2.953 24.698 27.740 -0.149 0.000 1.271 331 C HN 0.795 nan 8.230 nan 0.000 0.745 332 L N 1.057 122.258 121.223 -0.038 0.000 2.418 332 L HA -0.035 4.301 4.340 -0.008 0.000 0.218 332 L C 2.499 179.313 176.870 -0.093 0.000 1.125 332 L CA 1.869 56.665 54.840 -0.074 0.000 0.835 332 L CB -0.341 41.641 42.059 -0.128 0.000 0.953 332 L HN 0.689 nan 8.230 nan 0.000 0.454 333 E N 0.152 120.319 120.200 -0.054 0.000 2.489 333 E HA 0.010 4.356 4.350 -0.008 0.000 0.193 333 E C 0.677 177.233 176.600 -0.073 0.000 1.057 333 E CA 0.052 56.414 56.400 -0.063 0.000 0.866 333 E CB 0.145 29.834 29.700 -0.018 0.000 0.916 333 E HN 0.376 nan 8.360 nan 0.000 0.500 334 M N 1.034 120.581 119.600 -0.088 0.000 2.494 334 M HA 0.287 4.762 4.480 -0.008 0.000 0.300 334 M C 0.293 176.542 176.300 -0.086 0.000 1.189 334 M CA -0.468 54.770 55.300 -0.104 0.000 0.982 334 M CB 1.778 34.274 32.600 -0.173 0.000 1.534 334 M HN -0.055 nan 8.290 nan 0.000 0.488 335 T N -2.994 111.515 114.554 -0.075 0.000 2.932 335 T HA 0.427 4.773 4.350 -0.008 0.000 0.289 335 T C -0.671 174.002 174.700 -0.045 0.000 1.039 335 T CA -1.160 60.911 62.100 -0.049 0.000 1.024 335 T CB 1.213 70.065 68.868 -0.027 0.000 1.090 335 T HN 0.425 nan 8.240 nan 0.000 0.496 336 D N 1.361 121.744 120.400 -0.030 0.000 2.414 336 D HA 0.290 4.925 4.640 -0.008 0.000 0.242 336 D C 0.595 176.900 176.300 0.010 0.000 1.129 336 D CA -0.304 53.684 54.000 -0.019 0.000 0.885 336 D CB 1.119 41.908 40.800 -0.018 0.000 1.198 336 D HN 0.396 nan 8.370 nan 0.000 0.437 337 K N 0.336 120.756 120.400 0.034 0.000 2.401 337 K HA 0.235 4.551 4.320 -0.008 0.000 0.230 337 K C 1.319 177.957 176.600 0.064 0.000 1.183 337 K CA 0.733 57.048 56.287 0.046 0.000 0.798 337 K CB -0.462 32.072 32.500 0.056 0.000 1.455 337 K HN 0.599 nan 8.250 nan 0.000 0.430 338 G N 1.838 110.697 108.800 0.098 0.000 2.176 338 G HA2 -0.249 3.706 3.960 -0.008 0.000 0.253 338 G HA3 -0.249 3.706 3.960 -0.008 0.000 0.253 338 G C 0.159 175.152 174.900 0.155 0.000 0.979 338 G CA 0.743 45.935 45.100 0.153 0.000 0.641 338 G HN 0.479 nan 8.290 nan 0.000 0.530 339 S N -1.044 114.670 115.700 0.024 0.000 2.739 339 S HA 0.734 5.199 4.470 -0.008 0.000 0.306 339 S C -0.235 174.077 174.600 -0.481 0.000 1.115 339 S CA -0.825 57.318 58.200 -0.096 0.000 0.985 339 S CB 2.055 65.239 63.200 -0.027 0.000 1.133 339 S HN 1.174 nan 8.310 nan 0.000 0.541 340 Y N 2.697 122.615 120.300 -0.636 0.000 2.336 340 Y HA 0.420 4.965 4.550 -0.008 0.000 0.331 340 Y C -1.600 174.085 175.900 -0.358 0.000 1.211 340 Y CA -1.577 56.073 58.100 -0.751 0.000 1.346 340 Y CB 0.963 39.216 38.460 -0.345 0.000 1.271 340 Y HN 0.515 nan 8.280 nan 0.000 0.538 341 P HA 0.093 nan 4.420 nan 0.000 0.261 341 P C -0.133 176.793 177.300 -0.623 0.000 1.268 341 P CA 0.627 62.994 63.100 -1.221 0.000 0.833 341 P CB 0.622 31.624 31.700 -1.163 0.000 1.231 342 E N -1.020 118.914 120.200 -0.444 0.000 2.250 342 E HA -0.011 4.334 4.350 -0.008 0.000 0.192 342 E C -0.236 176.395 176.600 0.052 0.000 0.986 342 E CA 0.104 56.381 56.400 -0.204 0.000 0.849 342 E CB -0.795 28.820 29.700 -0.142 0.000 0.797 342 E HN 0.043 nan 8.360 nan 0.000 0.482 343 Y N 0.583 120.920 120.300 0.062 0.000 3.078 343 Y HA -0.251 4.294 4.550 -0.008 0.000 0.202 343 Y C -0.007 175.998 175.900 0.175 0.000 1.322 343 Y CA 0.485 58.652 58.100 0.113 0.000 1.118 343 Y CB -2.292 36.222 38.460 0.091 0.000 1.343 343 Y HN -0.061 nan 8.280 nan 0.000 0.499 344 S N 1.583 117.449 115.700 0.278 0.000 2.422 344 S HA 0.650 5.115 4.470 -0.008 0.000 0.298 344 S C 0.258 174.984 174.600 0.210 0.000 1.118 344 S CA -0.772 57.648 58.200 0.367 0.000 1.083 344 S CB 0.201 63.685 63.200 0.473 0.000 0.971 344 S HN 0.293 nan 8.310 nan 0.000 0.478 345 M N 7.498 127.158 119.600 0.100 0.000 2.944 345 M HA 0.277 4.752 4.480 -0.008 0.000 0.235 345 M C -2.132 174.049 176.300 -0.198 0.000 1.188 345 M CA -2.150 53.052 55.300 -0.162 0.000 0.688 345 M CB 0.614 32.893 32.600 -0.535 0.000 1.406 345 M HN 0.401 nan 8.290 nan 0.000 0.479 346 P HA -0.179 nan 4.420 nan 0.000 0.215 346 P C 1.456 178.724 177.300 -0.053 0.000 1.157 346 P CA 1.542 64.603 63.100 -0.066 0.000 0.868 346 P CB 0.329 31.888 31.700 -0.235 0.000 0.788 347 K N -0.672 119.681 120.400 -0.078 0.000 2.057 347 K HA -0.098 4.217 4.320 -0.008 0.000 0.207 347 K C 2.084 178.640 176.600 -0.073 0.000 1.049 347 K CA 1.841 58.090 56.287 -0.063 0.000 0.931 347 K CB -0.569 31.902 32.500 -0.048 0.000 0.714 347 K HN -0.014 nan 8.250 nan 0.000 0.440 348 T N 1.936 116.430 114.554 -0.100 0.000 2.720 348 T HA -0.151 4.194 4.350 -0.008 0.000 0.268 348 T C 1.709 176.362 174.700 -0.079 0.000 1.037 348 T CA 1.192 63.233 62.100 -0.098 0.000 1.144 348 T CB -0.142 68.627 68.868 -0.165 0.000 0.864 348 T HN 0.182 nan 8.240 nan 0.000 0.444 349 L N 0.716 121.884 121.223 -0.093 0.000 1.989 349 L HA -0.142 4.193 4.340 -0.008 0.000 0.211 349 L C 2.608 179.475 176.870 -0.006 0.000 1.071 349 L CA 1.421 56.282 54.840 0.035 0.000 0.749 349 L CB -0.479 41.698 42.059 0.197 0.000 0.890 349 L HN 0.159 nan 8.230 nan 0.000 0.431 350 V N -0.495 119.491 119.914 0.120 0.000 2.332 350 V HA -0.362 3.754 4.120 -0.008 0.000 0.248 350 V C 2.412 178.417 176.094 -0.149 0.000 1.055 350 V CA 1.875 64.254 62.300 0.132 0.000 1.038 350 V CB -0.538 31.405 31.823 0.200 0.000 0.651 350 V HN 0.523 nan 8.190 nan 0.000 0.450 351 Q N -0.356 119.308 119.800 -0.227 0.000 2.061 351 Q HA -0.237 4.098 4.340 -0.008 0.000 0.204 351 Q C 2.391 178.279 176.000 -0.187 0.000 0.984 351 Q CA 1.893 57.468 55.803 -0.380 0.000 0.846 351 Q CB -0.311 28.288 28.738 -0.232 0.000 0.902 351 Q HN 0.657 nan 8.270 nan 0.000 0.421 352 N N 0.163 118.785 118.700 -0.130 0.000 2.166 352 N HA -0.150 4.585 4.740 -0.008 0.000 0.186 352 N C 1.627 177.003 175.510 -0.223 0.000 1.019 352 N CA 0.871 53.854 53.050 -0.111 0.000 0.856 352 N CB 0.156 38.593 38.487 -0.084 0.000 0.993 352 N HN 0.166 nan 8.380 nan 0.000 0.426 353 I N 1.689 122.008 120.570 -0.419 0.000 2.202 353 I HA -0.129 4.036 4.170 -0.008 0.000 0.242 353 I C 2.582 178.462 176.117 -0.394 0.000 1.091 353 I CA 0.633 61.580 61.300 -0.589 0.000 1.368 353 I CB -1.720 35.583 38.000 -1.163 0.000 1.058 353 I HN 0.043 nan 8.210 nan 0.000 0.410 354 A N 0.451 123.081 122.820 -0.317 0.000 1.892 354 A HA -0.254 4.061 4.320 -0.008 0.000 0.218 354 A C 2.435 179.963 177.584 -0.094 0.000 1.188 354 A CA 2.764 54.669 52.037 -0.220 0.000 0.631 354 A CB -1.245 17.693 19.000 -0.103 0.000 0.822 354 A HN 0.433 nan 8.150 nan 0.000 0.447 355 T N 0.441 114.988 114.554 -0.012 0.000 2.684 355 T HA -0.122 4.223 4.350 -0.008 0.000 0.267 355 T C 1.821 176.501 174.700 -0.034 0.000 1.036 355 T CA 1.535 63.652 62.100 0.029 0.000 1.148 355 T CB -0.424 68.484 68.868 0.067 0.000 0.863 355 T HN 0.362 nan 8.240 nan 0.000 0.436 356 L N 0.521 121.694 121.223 -0.083 0.000 2.083 356 L HA -0.110 4.225 4.340 -0.008 0.000 0.209 356 L C 2.992 179.810 176.870 -0.087 0.000 1.083 356 L CA 1.169 55.962 54.840 -0.078 0.000 0.752 356 L CB -0.625 41.376 42.059 -0.097 0.000 0.899 356 L HN 0.271 nan 8.230 nan 0.000 0.433 357 A N 0.176 122.916 122.820 -0.133 0.000 1.855 357 A HA -0.184 4.131 4.320 -0.008 0.000 0.215 357 A C 2.050 179.580 177.584 -0.089 0.000 1.191 357 A CA 1.616 53.574 52.037 -0.133 0.000 0.613 357 A CB -0.565 18.312 19.000 -0.206 0.000 0.829 357 A HN 0.425 nan 8.150 nan 0.000 0.442 358 N N -0.224 118.426 118.700 -0.084 0.000 2.149 358 N HA -0.203 4.532 4.740 -0.008 0.000 0.188 358 N C 1.738 177.232 175.510 -0.026 0.000 1.019 358 N CA 1.648 54.669 53.050 -0.049 0.000 0.857 358 N CB -0.348 38.121 38.487 -0.031 0.000 0.997 358 N HN 0.765 nan 8.380 nan 0.000 0.426 359 E N 1.224 121.410 120.200 -0.022 0.000 2.058 359 E HA -0.120 4.226 4.350 -0.008 0.000 0.194 359 E C 1.144 177.736 176.600 -0.014 0.000 0.997 359 E CA 1.249 57.642 56.400 -0.012 0.000 0.801 359 E CB 0.133 29.826 29.700 -0.011 0.000 0.746 359 E HN 0.262 nan 8.360 nan 0.000 0.450 360 K N -0.956 119.431 120.400 -0.022 0.000 2.487 360 K HA 0.093 4.409 4.320 -0.008 0.000 0.192 360 K C 0.740 177.337 176.600 -0.006 0.000 1.027 360 K CA 0.443 56.722 56.287 -0.013 0.000 1.054 360 K CB 0.473 32.964 32.500 -0.015 0.000 0.824 360 K HN 0.323 nan 8.250 nan 0.000 0.510 361 G N 2.096 110.889 108.800 -0.011 0.000 2.198 361 G HA2 -0.264 3.691 3.960 -0.008 0.000 0.257 361 G HA3 -0.264 3.691 3.960 -0.008 0.000 0.257 361 G C -0.045 174.855 174.900 0.000 0.000 1.042 361 G CA -0.195 44.903 45.100 -0.005 0.000 0.791 361 G HN 0.262 nan 8.290 nan 0.000 0.502 362 I N 0.729 121.293 120.570 -0.010 0.000 2.342 362 I HA 0.266 4.431 4.170 -0.008 0.000 0.291 362 I C 1.095 177.203 176.117 -0.015 0.000 1.010 362 I CA -0.974 60.326 61.300 0.001 0.000 1.308 362 I CB 1.511 39.506 38.000 -0.008 0.000 1.400 362 I HN -0.089 nan 8.210 nan 0.000 0.488 363 V N 7.471 127.391 119.914 0.009 0.000 2.599 363 V HA -0.004 4.111 4.120 -0.008 0.000 0.300 363 V C 0.031 176.125 176.094 -0.000 0.000 1.034 363 V CA 0.048 62.353 62.300 0.008 0.000 1.115 363 V CB 0.987 32.829 31.823 0.032 0.000 0.934 363 V HN 0.422 nan 8.190 nan 0.000 0.485 364 L N 5.898 127.100 121.223 -0.034 0.000 2.341 364 L HA 0.613 4.949 4.340 -0.008 0.000 0.278 364 L C -0.380 176.553 176.870 0.105 0.000 1.005 364 L CA 0.091 54.886 54.840 -0.074 0.000 0.818 364 L CB 1.772 43.615 42.059 -0.360 0.000 1.259 364 L HN 0.700 nan 8.230 nan 0.000 0.418 365 N N 2.250 121.113 118.700 0.271 0.000 2.328 365 N HA 0.873 5.609 4.740 -0.008 0.000 0.299 365 N C -0.850 175.050 175.510 0.649 0.000 1.179 365 N CA -0.533 52.807 53.050 0.483 0.000 0.793 365 N CB 2.072 40.785 38.487 0.376 0.000 1.366 365 N HN 0.748 nan 8.380 nan 0.000 0.493 366 G N -0.487 108.640 108.800 0.546 0.000 2.605 366 G HA2 0.668 4.623 3.960 -0.008 0.000 0.296 366 G HA3 0.668 4.623 3.960 -0.008 0.000 0.296 366 G C -1.442 173.537 174.900 0.132 0.000 1.304 366 G CA -0.507 44.800 45.100 0.346 0.000 0.941 366 G HN 0.512 nan 8.290 nan 0.000 0.475 367 E N 0.298 120.545 120.200 0.078 0.000 2.383 367 E HA 0.232 4.578 4.350 -0.008 0.000 0.275 367 E C -0.761 175.918 176.600 0.131 0.000 0.918 367 E CA -1.110 55.250 56.400 -0.068 0.000 0.764 367 E CB 2.103 31.749 29.700 -0.091 0.000 1.252 367 E HN 0.638 nan 8.360 nan 0.000 0.449 368 N N 0.426 119.257 118.700 0.218 0.000 2.482 368 N HA 0.092 4.827 4.740 -0.008 0.000 0.260 368 N C 0.138 175.686 175.510 0.063 0.000 1.236 368 N CA 0.048 53.215 53.050 0.195 0.000 0.938 368 N CB 1.370 40.013 38.487 0.261 0.000 1.128 368 N HN 0.559 nan 8.380 nan 0.000 0.448 369 A N 1.468 124.301 122.820 0.022 0.000 1.984 369 A HA 0.241 4.557 4.320 -0.008 0.000 0.214 369 A C 0.903 178.494 177.584 0.011 0.000 1.173 369 A CA 0.431 52.471 52.037 0.005 0.000 0.673 369 A CB 0.038 19.036 19.000 -0.004 0.000 0.830 369 A HN 0.635 nan 8.150 nan 0.000 0.453 370 L N -0.616 120.612 121.223 0.009 0.000 2.327 370 L HA 0.398 4.733 4.340 -0.008 0.000 0.258 370 L C -0.145 176.740 176.870 0.024 0.000 1.024 370 L CA -1.057 53.785 54.840 0.003 0.000 0.825 370 L CB 2.173 44.215 42.059 -0.028 0.000 1.386 370 L HN 0.095 nan 8.230 nan 0.000 0.417 371 S N 0.885 116.599 115.700 0.024 0.000 2.573 371 S HA 0.435 4.900 4.470 -0.008 0.000 0.277 371 S C -0.265 174.347 174.600 0.021 0.000 1.346 371 S CA -0.369 57.855 58.200 0.041 0.000 1.034 371 S CB 0.446 63.669 63.200 0.037 0.000 0.879 371 S HN 0.331 nan 8.310 nan 0.000 0.528 372 I N 1.583 122.173 120.570 0.032 0.000 2.362 372 I HA 0.385 4.550 4.170 -0.008 0.000 0.289 372 I C 1.083 177.148 176.117 -0.087 0.000 0.994 372 I CA -0.528 60.739 61.300 -0.055 0.000 1.158 372 I CB 1.500 39.465 38.000 -0.059 0.000 1.315 372 I HN 0.912 nan 8.210 nan 0.000 0.451 373 G N 4.748 113.486 108.800 -0.103 0.000 3.159 373 G HA2 0.085 4.041 3.960 -0.008 0.000 0.232 373 G HA3 0.085 4.041 3.960 -0.008 0.000 0.232 373 G C 0.073 174.902 174.900 -0.118 0.000 1.116 373 G CA -0.035 45.021 45.100 -0.074 0.000 0.767 373 G HN 0.729 nan 8.290 nan 0.000 0.547 374 N N -1.673 116.898 118.700 -0.216 0.000 2.484 374 N HA 0.140 4.875 4.740 -0.008 0.000 0.269 374 N C 0.862 176.190 175.510 -0.303 0.000 1.237 374 N CA -0.317 52.619 53.050 -0.190 0.000 0.838 374 N CB 0.925 39.354 38.487 -0.097 0.000 1.593 374 N HN -0.025 nan 8.380 nan 0.000 0.485 375 E N 0.276 120.368 120.200 -0.181 0.000 2.273 375 E HA -0.314 4.031 4.350 -0.008 0.000 0.198 375 E C 0.759 177.314 176.600 -0.075 0.000 1.002 375 E CA 1.350 57.692 56.400 -0.097 0.000 0.828 375 E CB 0.008 29.746 29.700 0.062 0.000 0.747 375 E HN 0.691 nan 8.360 nan 0.000 0.491 376 E N 1.103 121.251 120.200 -0.087 0.000 2.204 376 E HA -0.154 4.192 4.350 -0.008 0.000 0.194 376 E C 1.566 178.123 176.600 -0.072 0.000 0.989 376 E CA 1.348 57.716 56.400 -0.054 0.000 0.824 376 E CB 0.074 29.747 29.700 -0.044 0.000 0.756 376 E HN 0.475 nan 8.360 nan 0.000 0.477 377 E N -1.293 118.825 120.200 -0.136 0.000 2.158 377 E HA -0.133 4.212 4.350 -0.008 0.000 0.191 377 E C 1.475 178.039 176.600 -0.059 0.000 0.982 377 E CA 0.620 56.948 56.400 -0.119 0.000 0.823 377 E CB -0.120 29.491 29.700 -0.148 0.000 0.766 377 E HN 0.316 nan 8.360 nan 0.000 0.468 378 Y N 1.569 121.827 120.300 -0.069 0.000 2.165 378 Y HA -0.197 4.349 4.550 -0.006 0.000 0.286 378 Y C 1.911 177.696 175.900 -0.192 0.000 1.155 378 Y CA 0.880 58.898 58.100 -0.137 0.000 1.164 378 Y CB -0.374 38.026 38.460 -0.100 0.000 0.978 378 Y HN -0.035 nan 8.280 nan 0.000 0.513 379 K N -0.070 120.347 120.400 0.028 0.000 2.147 379 K HA -0.151 4.165 4.320 -0.008 0.000 0.205 379 K C 2.180 178.734 176.600 -0.077 0.000 1.049 379 K CA 1.137 57.405 56.287 -0.032 0.000 0.936 379 K CB -0.247 32.248 32.500 -0.007 0.000 0.722 379 K HN 0.329 nan 8.250 nan 0.000 0.446 380 R N 0.781 121.233 120.500 -0.079 0.000 2.066 380 R HA -0.076 4.260 4.340 -0.008 0.000 0.232 380 R C 2.454 178.643 176.300 -0.186 0.000 1.131 380 R CA 1.068 57.109 56.100 -0.098 0.000 0.955 380 R CB -0.543 29.709 30.300 -0.081 0.000 0.851 380 R HN -0.052 nan 8.270 nan 0.000 0.432 381 V N 1.266 121.037 119.914 -0.238 0.000 2.252 381 V HA -0.320 3.795 4.120 -0.008 0.000 0.249 381 V C 2.454 178.206 176.094 -0.570 0.000 1.056 381 V CA 2.104 64.136 62.300 -0.447 0.000 1.022 381 V CB -0.861 30.615 31.823 -0.579 0.000 0.641 381 V HN 0.473 nan 8.190 nan 0.000 0.445 382 A N -0.670 121.854 122.820 -0.493 0.000 1.948 382 A HA -0.330 3.985 4.320 -0.008 0.000 0.220 382 A C 2.304 179.632 177.584 -0.427 0.000 1.177 382 A CA 2.301 53.998 52.037 -0.568 0.000 0.636 382 A CB -0.546 18.311 19.000 -0.238 0.000 0.815 382 A HN 0.696 nan 8.150 nan 0.000 0.449 383 E N -1.122 118.923 120.200 -0.259 0.000 2.047 383 E HA -0.179 4.166 4.350 -0.008 0.000 0.191 383 E C 1.939 178.435 176.600 -0.174 0.000 0.987 383 E CA 1.387 57.681 56.400 -0.178 0.000 0.799 383 E CB -0.156 29.498 29.700 -0.077 0.000 0.752 383 E HN 0.478 nan 8.360 nan 0.000 0.449 384 M N 0.468 119.964 119.600 -0.173 0.000 2.200 384 M HA -0.001 4.474 4.480 -0.008 0.000 0.265 384 M C 2.348 178.603 176.300 -0.075 0.000 1.066 384 M CA 1.264 56.529 55.300 -0.058 0.000 1.127 384 M CB -1.169 31.313 32.600 -0.197 0.000 1.379 384 M HN 0.204 nan 8.290 nan 0.000 0.420 385 A N 0.314 122.875 122.820 -0.432 0.000 1.835 385 A HA -0.121 4.194 4.320 -0.008 0.000 0.215 385 A C 1.696 179.171 177.584 -0.182 0.000 1.199 385 A CA 1.444 53.187 52.037 -0.490 0.000 0.615 385 A CB -1.020 17.414 19.000 -0.943 0.000 0.838 385 A HN 0.393 nan 8.150 nan 0.000 0.444 386 F N 0.386 120.221 119.950 -0.191 0.000 2.802 386 F HA 0.101 4.625 4.527 -0.005 0.000 0.300 386 F C 1.856 177.550 175.800 -0.177 0.000 1.168 386 F CA 0.194 58.066 58.000 -0.213 0.000 1.433 386 F CB -0.410 38.404 39.000 -0.310 0.000 1.115 386 F HN 0.266 nan 8.300 nan 0.000 0.582 387 N N -1.826 116.846 118.700 -0.046 0.000 2.332 387 N HA -0.008 4.727 4.740 -0.008 0.000 0.190 387 N C 0.447 175.804 175.510 -0.255 0.000 1.117 387 N CA 0.387 53.282 53.050 -0.258 0.000 0.883 387 N CB 0.207 38.203 38.487 -0.819 0.000 1.089 387 N HN 0.266 nan 8.380 nan 0.000 0.480 388 Y N 1.084 121.429 120.300 0.076 0.000 2.625 388 Y HA 0.199 4.745 4.550 -0.007 0.000 0.285 388 Y C 0.346 176.286 175.900 0.066 0.000 1.168 388 Y CA -0.366 57.804 58.100 0.116 0.000 1.250 388 Y CB -0.087 38.502 38.460 0.215 0.000 1.130 388 Y HN -0.051 nan 8.280 nan 0.000 0.526 389 N N -0.163 118.641 118.700 0.172 0.000 2.780 389 N HA -0.241 4.494 4.740 -0.008 0.000 0.248 389 N C -0.983 174.603 175.510 0.126 0.000 1.102 389 N CA 0.177 53.295 53.050 0.115 0.000 0.697 389 N CB -1.790 36.713 38.487 0.027 0.000 1.028 389 N HN 0.173 nan 8.380 nan 0.000 0.554 390 F N -0.055 119.981 119.950 0.144 0.000 2.484 390 F HA 0.362 4.883 4.527 -0.010 0.000 0.360 390 F C 1.812 177.754 175.800 0.237 0.000 1.101 390 F CA 0.498 58.606 58.000 0.180 0.000 1.251 390 F CB 0.661 39.778 39.000 0.195 0.000 1.132 390 F HN 0.211 nan 8.300 nan 0.000 0.570 391 A N 2.617 125.633 122.820 0.328 0.000 2.081 391 A HA 0.455 4.771 4.320 -0.008 0.000 0.214 391 A C 1.029 178.720 177.584 0.178 0.000 1.158 391 A CA 0.992 53.171 52.037 0.236 0.000 0.724 391 A CB -0.517 18.566 19.000 0.138 0.000 0.826 391 A HN 0.827 nan 8.150 nan 0.000 0.463 392 G N -1.952 107.009 108.800 0.267 0.000 2.704 392 G HA2 0.488 4.444 3.960 -0.008 0.000 0.293 392 G HA3 0.488 4.444 3.960 -0.008 0.000 0.293 392 G C -1.661 173.378 174.900 0.232 0.000 1.421 392 G CA -0.485 44.645 45.100 0.049 0.000 0.870 392 G HN 0.279 nan 8.290 nan 0.000 0.492 393 F N 1.264 121.163 119.950 -0.086 0.000 2.518 393 F HA 0.704 5.225 4.527 -0.010 0.000 0.323 393 F C -0.291 175.591 175.800 0.138 0.000 1.129 393 F CA -0.670 57.371 58.000 0.068 0.000 0.920 393 F CB 2.411 41.466 39.000 0.091 0.000 1.160 393 F HN 0.381 nan 8.300 nan 0.000 0.440 394 T N 7.443 121.485 114.554 -0.854 0.000 2.771 394 T HA 0.413 4.759 4.350 -0.008 0.000 0.281 394 T C -1.004 173.166 174.700 -0.883 0.000 0.982 394 T CA -0.404 61.396 62.100 -0.500 0.000 0.978 394 T CB 1.085 69.871 68.868 -0.136 0.000 0.930 394 T HN 0.553 nan 8.240 nan 0.000 0.447 395 L N 5.245 126.259 121.223 -0.348 0.000 2.278 395 L HA 0.462 4.797 4.340 -0.008 0.000 0.287 395 L C -1.171 175.672 176.870 -0.045 0.000 1.072 395 L CA -0.464 54.348 54.840 -0.047 0.000 0.819 395 L CB -0.007 42.163 42.059 0.185 0.000 1.176 395 L HN 0.423 nan 8.230 nan 0.000 0.435 396 L N 6.662 127.883 121.223 -0.005 0.000 2.265 396 L HA 0.585 4.920 4.340 -0.008 0.000 0.288 396 L C 0.241 177.143 176.870 0.054 0.000 1.058 396 L CA 0.367 55.213 54.840 0.009 0.000 0.809 396 L CB 0.867 42.930 42.059 0.007 0.000 1.179 396 L HN 0.660 nan 8.230 nan 0.000 0.429 397 R N 0.738 121.262 120.500 0.040 0.000 2.764 397 R HA 0.169 4.505 4.340 -0.008 0.000 0.270 397 R C 0.360 176.677 176.300 0.028 0.000 1.014 397 R CA -0.786 55.332 56.100 0.030 0.000 0.904 397 R CB 1.108 31.438 30.300 0.050 0.000 1.236 397 R HN 0.474 nan 8.270 nan 0.000 0.466 398 Y N 1.838 122.057 120.300 -0.134 0.000 2.038 398 Y HA -0.458 4.087 4.550 -0.008 0.000 0.266 398 Y C 2.253 178.006 175.900 -0.246 0.000 1.220 398 Y CA 2.828 60.812 58.100 -0.194 0.000 1.107 398 Y CB 0.145 38.535 38.460 -0.117 0.000 0.932 398 Y HN 0.584 nan 8.280 nan 0.000 0.500 399 Q N -0.123 119.689 119.800 0.020 0.000 2.181 399 Q HA -0.193 4.143 4.340 -0.008 0.000 0.205 399 Q C 1.568 177.479 176.000 -0.149 0.000 0.980 399 Q CA 1.821 57.499 55.803 -0.209 0.000 0.862 399 Q CB -0.928 27.847 28.738 0.062 0.000 0.905 399 Q HN 0.582 nan 8.270 nan 0.000 0.429 400 D N 1.464 121.845 120.400 -0.033 0.000 2.123 400 D HA -0.121 4.515 4.640 -0.008 0.000 0.196 400 D C 2.179 178.494 176.300 0.025 0.000 0.992 400 D CA 2.065 56.081 54.000 0.027 0.000 0.833 400 D CB -0.197 40.641 40.800 0.063 0.000 0.954 400 D HN 0.396 nan 8.370 nan 0.000 0.455 401 V N -2.000 117.893 119.914 -0.035 0.000 2.992 401 V HA 0.042 4.158 4.120 -0.008 0.000 0.250 401 V C 2.283 178.353 176.094 -0.040 0.000 1.090 401 V CA 0.398 62.702 62.300 0.008 0.000 1.101 401 V CB -0.390 31.433 31.823 0.000 0.000 0.743 401 V HN -0.094 nan 8.190 nan 0.000 0.468 402 M N 0.867 120.304 119.600 -0.272 0.000 2.067 402 M HA -0.031 4.445 4.480 -0.008 0.000 0.260 402 M C 1.698 177.991 176.300 -0.011 0.000 1.069 402 M CA 1.961 57.073 55.300 -0.314 0.000 1.117 402 M CB -0.672 31.396 32.600 -0.886 0.000 1.334 402 M HN 0.470 nan 8.290 nan 0.000 0.407 403 Y N -0.693 119.631 120.300 0.040 0.000 2.547 403 Y HA 0.331 4.876 4.550 -0.007 0.000 0.325 403 Y C 0.298 176.239 175.900 0.068 0.000 1.165 403 Y CA -0.741 57.392 58.100 0.054 0.000 1.300 403 Y CB -1.170 37.322 38.460 0.053 0.000 1.126 403 Y HN 0.207 nan 8.280 nan 0.000 0.513 404 N N 0.523 119.343 118.700 0.201 0.000 2.653 404 N HA 0.080 4.815 4.740 -0.008 0.000 0.261 404 N C -0.252 175.371 175.510 0.188 0.000 1.216 404 N CA -0.112 53.039 53.050 0.169 0.000 0.784 404 N CB 0.110 38.683 38.487 0.143 0.000 1.327 404 N HN 0.265 nan 8.380 nan 0.000 0.539 405 N N 0.259 119.072 118.700 0.189 0.000 2.289 405 N HA -0.115 4.620 4.740 -0.008 0.000 0.184 405 N C 1.111 176.742 175.510 0.202 0.000 1.016 405 N CA 0.954 54.143 53.050 0.232 0.000 0.872 405 N CB 0.278 38.883 38.487 0.197 0.000 0.973 405 N HN 0.362 nan 8.380 nan 0.000 0.433 406 S N 1.273 117.068 115.700 0.158 0.000 2.348 406 S HA -0.048 4.417 4.470 -0.008 0.000 0.221 406 S C 1.988 176.691 174.600 0.173 0.000 1.033 406 S CA 0.841 59.125 58.200 0.141 0.000 1.010 406 S CB -0.312 62.952 63.200 0.107 0.000 0.891 406 S HN 0.234 nan 8.310 nan 0.000 0.442 407 L N 0.599 121.941 121.223 0.198 0.000 2.056 407 L HA -0.091 4.245 4.340 -0.008 0.000 0.207 407 L C 2.606 179.678 176.870 0.336 0.000 1.078 407 L CA 1.193 56.210 54.840 0.296 0.000 0.749 407 L CB -0.524 41.702 42.059 0.277 0.000 0.901 407 L HN 0.319 nan 8.230 nan 0.000 0.433 408 M N 0.632 120.384 119.600 0.252 0.000 2.082 408 M HA -0.156 4.319 4.480 -0.008 0.000 0.258 408 M C 2.004 178.395 176.300 0.151 0.000 1.069 408 M CA 2.282 57.697 55.300 0.192 0.000 1.102 408 M CB -1.019 31.683 32.600 0.169 0.000 1.336 408 M HN 0.131 nan 8.290 nan 0.000 0.404 409 G N -0.152 108.739 108.800 0.151 0.000 2.422 409 G HA2 -0.171 3.784 3.960 -0.008 0.000 0.218 409 G HA3 -0.171 3.784 3.960 -0.008 0.000 0.218 409 G C 1.663 176.610 174.900 0.078 0.000 1.140 409 G CA 0.670 45.829 45.100 0.097 0.000 0.775 409 G HN 0.375 nan 8.290 nan 0.000 0.545 410 K N 0.021 120.508 120.400 0.144 0.000 2.025 410 K HA -0.001 4.314 4.320 -0.008 0.000 0.207 410 K C 2.076 178.662 176.600 -0.024 0.000 1.049 410 K CA 0.598 56.972 56.287 0.145 0.000 0.933 410 K CB -0.678 32.027 32.500 0.342 0.000 0.714 410 K HN 0.369 nan 8.250 nan 0.000 0.438 411 F N 2.704 122.524 119.950 -0.215 0.000 2.069 411 F HA -0.280 4.242 4.527 -0.009 0.000 0.298 411 F C 2.529 178.103 175.800 -0.377 0.000 1.113 411 F CA 2.097 59.753 58.000 -0.574 0.000 1.214 411 F CB -0.252 38.453 39.000 -0.492 0.000 0.978 411 F HN -0.017 nan 8.300 nan 0.000 0.474 412 K N 0.178 120.550 120.400 -0.047 0.000 2.020 412 K HA -0.303 4.012 4.320 -0.008 0.000 0.212 412 K C 2.053 178.511 176.600 -0.238 0.000 1.050 412 K CA 2.215 58.412 56.287 -0.149 0.000 0.929 412 K CB -0.748 31.690 32.500 -0.103 0.000 0.714 412 K HN 0.371 nan 8.250 nan 0.000 0.443 413 D N 0.205 120.504 120.400 -0.169 0.000 2.133 413 D HA -0.176 4.459 4.640 -0.008 0.000 0.195 413 D C 1.913 178.092 176.300 -0.201 0.000 0.997 413 D CA 1.571 55.483 54.000 -0.146 0.000 0.840 413 D CB 0.020 40.774 40.800 -0.076 0.000 0.947 413 D HN 0.374 nan 8.370 nan 0.000 0.452 414 L N -1.184 119.871 121.223 -0.280 0.000 2.253 414 L HA 0.161 4.496 4.340 -0.008 0.000 0.205 414 L C 1.995 178.665 176.870 -0.335 0.000 1.078 414 L CA 0.329 55.009 54.840 -0.267 0.000 0.805 414 L CB 0.178 42.100 42.059 -0.228 0.000 0.963 414 L HN 0.047 nan 8.230 nan 0.000 0.459 415 L N -1.531 119.257 121.223 -0.725 0.000 2.840 415 L HA 0.292 4.627 4.340 -0.008 0.000 0.249 415 L C 1.448 178.024 176.870 -0.490 0.000 1.119 415 L CA -0.014 54.414 54.840 -0.686 0.000 0.930 415 L CB 0.268 41.670 42.059 -1.094 0.000 1.295 415 L HN 0.112 nan 8.230 nan 0.000 0.534 416 G N 1.774 110.212 108.800 -0.603 0.000 3.581 416 G HA2 0.386 4.341 3.960 -0.008 0.000 0.255 416 G HA3 0.386 4.341 3.960 -0.008 0.000 0.255 416 G C 0.055 174.888 174.900 -0.112 0.000 1.121 416 G CA 0.002 44.958 45.100 -0.240 0.000 1.739 416 G HN 0.020 nan 8.290 nan 0.000 0.646 417 V N -2.370 117.542 119.914 -0.004 0.000 2.732 417 V HA 0.772 4.887 4.120 -0.008 0.000 0.310 417 V C -0.017 176.081 176.094 0.006 0.000 1.053 417 V CA -0.880 61.383 62.300 -0.063 0.000 0.957 417 V CB 1.826 33.529 31.823 -0.201 0.000 1.018 417 V HN 0.014 nan 8.190 nan 0.000 0.452 418 T N 4.808 119.325 114.554 -0.062 0.000 2.756 418 T HA 0.511 4.856 4.350 -0.008 0.000 0.290 418 T C -2.664 171.979 174.700 -0.094 0.000 0.985 418 T CA -0.905 61.166 62.100 -0.047 0.000 0.955 418 T CB 1.311 70.148 68.868 -0.052 0.000 0.930 418 T HN 0.724 nan 8.240 nan 0.000 0.451 419 P HA 0.410 nan 4.420 nan 0.000 0.275 419 P C -0.858 176.382 177.300 -0.099 0.000 1.227 419 P CA -0.458 62.574 63.100 -0.114 0.000 0.781 419 P CB 1.008 32.669 31.700 -0.064 0.000 0.906 420 V N 4.179 124.018 119.914 -0.125 0.000 2.932 420 V HA 0.505 4.620 4.120 -0.008 0.000 0.307 420 V C -0.639 175.393 176.094 -0.102 0.000 1.147 420 V CA -1.268 60.967 62.300 -0.108 0.000 0.951 420 V CB 2.207 33.950 31.823 -0.133 0.000 1.031 420 V HN 0.476 nan 8.190 nan 0.000 0.426 421 M N 5.400 124.960 119.600 -0.066 0.000 2.238 421 M HA 0.471 4.946 4.480 -0.008 0.000 0.347 421 M C -0.414 175.868 176.300 -0.030 0.000 1.173 421 M CA 0.839 56.115 55.300 -0.041 0.000 1.147 421 M CB 0.496 33.085 32.600 -0.019 0.000 1.547 421 M HN 0.757 nan 8.290 nan 0.000 0.455 422 Q N 2.406 122.211 119.800 0.008 0.000 2.456 422 Q HA 0.453 4.788 4.340 -0.008 0.000 0.284 422 Q C -1.354 174.728 176.000 0.138 0.000 1.061 422 Q CA -0.755 55.106 55.803 0.096 0.000 0.799 422 Q CB 2.453 31.253 28.738 0.102 0.000 1.445 422 Q HN 0.619 nan 8.270 nan 0.000 0.411 423 T N 1.867 116.538 114.554 0.194 0.000 2.786 423 T HA 0.508 4.853 4.350 -0.008 0.000 0.283 423 T C -0.185 174.615 174.700 0.167 0.000 0.992 423 T CA -0.444 61.741 62.100 0.142 0.000 0.954 423 T CB 0.422 69.350 68.868 0.099 0.000 0.934 423 T HN 0.248 nan 8.240 nan 0.000 0.440 424 I N 4.291 124.943 120.570 0.137 0.000 2.339 424 I HA 0.454 4.620 4.170 -0.008 0.000 0.290 424 I C -0.217 175.988 176.117 0.147 0.000 0.994 424 I CA -0.815 60.572 61.300 0.146 0.000 1.191 424 I CB 1.350 39.425 38.000 0.124 0.000 1.343 424 I HN 0.295 nan 8.210 nan 0.000 0.458 425 V N 7.116 127.124 119.914 0.156 0.000 2.487 425 V HA 0.455 4.570 4.120 -0.008 0.000 0.298 425 V C -0.074 176.126 176.094 0.177 0.000 1.028 425 V CA -0.734 61.651 62.300 0.143 0.000 0.860 425 V CB 2.523 34.398 31.823 0.088 0.000 0.991 425 V HN 0.419 nan 8.190 nan 0.000 0.427 426 V N 5.913 125.959 119.914 0.220 0.000 2.357 426 V HA 0.505 4.620 4.120 -0.008 0.000 0.284 426 V C -0.019 176.234 176.094 0.266 0.000 1.018 426 V CA -0.821 61.629 62.300 0.251 0.000 0.841 426 V CB 1.489 33.492 31.823 0.300 0.000 0.991 426 V HN 0.925 nan 8.190 nan 0.000 0.437 427 K N 3.382 123.911 120.400 0.214 0.000 2.203 427 K HA 0.644 4.959 4.320 -0.008 0.000 0.251 427 K C -0.500 176.224 176.600 0.206 0.000 0.944 427 K CA -0.908 55.498 56.287 0.198 0.000 0.829 427 K CB 1.524 34.103 32.500 0.131 0.000 1.125 427 K HN 0.470 nan 8.250 nan 0.000 0.430 428 N N -0.612 118.197 118.700 0.181 0.000 3.006 428 N HA -0.112 4.623 4.740 -0.008 0.000 0.246 428 N C -1.255 174.296 175.510 0.069 0.000 1.128 428 N CA 0.304 53.434 53.050 0.134 0.000 0.697 428 N CB -1.488 37.084 38.487 0.142 0.000 1.057 428 N HN 0.408 nan 8.380 nan 0.000 0.557 429 V N 2.276 122.191 119.914 0.001 0.000 2.383 429 V HA 0.305 4.421 4.120 -0.008 0.000 0.275 429 V C -1.351 174.464 176.094 -0.464 0.000 1.036 429 V CA -1.004 61.056 62.300 -0.400 0.000 0.889 429 V CB 1.474 33.088 31.823 -0.348 0.000 0.985 429 V HN 0.045 nan 8.190 nan 0.000 0.459 430 P HA 0.094 nan 4.420 nan 0.000 0.230 430 P C 0.232 177.290 177.300 -0.403 0.000 1.791 430 P CA 0.002 62.837 63.100 -0.442 0.000 1.020 430 P CB -0.270 31.189 31.700 -0.403 0.000 1.977 431 T N -0.576 113.783 114.554 -0.324 0.000 2.902 431 T HA 0.541 4.886 4.350 -0.008 0.000 0.280 431 T C 0.291 174.897 174.700 -0.158 0.000 0.992 431 T CA -0.291 61.650 62.100 -0.264 0.000 1.015 431 T CB 1.474 70.208 68.868 -0.224 0.000 1.044 431 T HN 0.283 nan 8.240 nan 0.000 0.520 432 T N -0.591 113.888 114.554 -0.125 0.000 2.888 432 T HA 0.610 4.955 4.350 -0.008 0.000 0.288 432 T C -0.026 174.638 174.700 -0.060 0.000 1.063 432 T CA -1.103 60.948 62.100 -0.083 0.000 1.010 432 T CB 0.607 69.435 68.868 -0.067 0.000 1.214 432 T HN 0.671 nan 8.240 nan 0.000 0.533 433 I N 1.950 122.494 120.570 -0.043 0.000 2.741 433 I HA 0.342 4.507 4.170 -0.008 0.000 0.288 433 I C 1.677 177.784 176.117 -0.017 0.000 1.192 433 I CA 1.759 63.044 61.300 -0.025 0.000 1.426 433 I CB 0.132 38.120 38.000 -0.021 0.000 1.367 433 I HN 1.160 nan 8.210 nan 0.000 0.563 434 G N 3.996 112.794 108.800 -0.003 0.000 2.339 434 G HA2 -0.214 3.741 3.960 -0.008 0.000 0.209 434 G HA3 -0.214 3.741 3.960 -0.008 0.000 0.209 434 G C 0.052 174.954 174.900 0.004 0.000 1.015 434 G CA -0.475 44.628 45.100 0.006 0.000 0.635 434 G HN 0.550 nan 8.290 nan 0.000 0.499 435 D N 2.202 122.587 120.400 -0.024 0.000 2.449 435 D HA 0.484 5.119 4.640 -0.008 0.000 0.236 435 D C 0.999 177.250 176.300 -0.081 0.000 1.149 435 D CA 1.489 55.448 54.000 -0.069 0.000 0.878 435 D CB 1.006 41.726 40.800 -0.134 0.000 1.198 435 D HN 0.593 nan 8.370 nan 0.000 0.446 436 T N -2.060 112.403 114.554 -0.152 0.000 2.924 436 T HA 0.701 5.046 4.350 -0.008 0.000 0.291 436 T C -0.316 174.030 174.700 -0.591 0.000 1.045 436 T CA -0.949 60.988 62.100 -0.272 0.000 1.015 436 T CB 1.338 70.156 68.868 -0.082 0.000 1.103 436 T HN 0.043 nan 8.240 nan 0.000 0.496 437 V N 1.560 120.886 119.914 -0.980 0.000 2.715 437 V HA 0.706 4.821 4.120 -0.008 0.000 0.310 437 V C -1.374 174.172 176.094 -0.913 0.000 1.054 437 V CA -0.778 60.934 62.300 -0.980 0.000 0.928 437 V CB 1.317 32.279 31.823 -1.436 0.000 1.007 437 V HN 0.954 nan 8.190 nan 0.000 0.437 438 Y N 2.854 122.716 120.300 -0.730 0.000 2.625 438 Y HA 0.723 5.269 4.550 -0.007 0.000 0.338 438 Y C -0.082 175.541 175.900 -0.462 0.000 1.123 438 Y CA -0.970 56.747 58.100 -0.639 0.000 1.046 438 Y CB 1.944 39.821 38.460 -0.971 0.000 1.299 438 Y HN 0.623 nan 8.280 nan 0.000 0.464 439 I N -0.975 119.625 120.570 0.050 0.000 2.957 439 I HA 0.962 5.127 4.170 -0.008 0.000 0.310 439 I C -0.608 175.704 176.117 0.325 0.000 1.063 439 I CA -0.809 60.621 61.300 0.216 0.000 1.033 439 I CB 2.411 40.542 38.000 0.219 0.000 1.230 439 I HN 0.570 nan 8.210 nan 0.000 0.447 440 T N 1.321 116.101 114.554 0.377 0.000 2.840 440 T HA 0.788 5.134 4.350 -0.008 0.000 0.317 440 T C -0.808 173.877 174.700 -0.025 0.000 1.401 440 T CA -0.032 62.219 62.100 0.252 0.000 1.028 440 T CB 1.779 70.889 68.868 0.405 0.000 1.317 440 T HN 1.348 nan 8.240 nan 0.000 0.495 441 G N 1.410 109.903 108.800 -0.512 0.000 2.548 441 G HA2 0.360 4.315 3.960 -0.008 0.000 0.301 441 G HA3 0.360 4.315 3.960 -0.008 0.000 0.301 441 G C 0.135 174.209 174.900 -1.376 0.000 1.349 441 G CA -0.037 44.386 45.100 -1.129 0.000 0.792 441 G HN 0.776 nan 8.290 nan 0.000 0.481 442 N N -0.461 117.597 118.700 -1.070 0.000 2.571 442 N HA -0.004 4.731 4.740 -0.008 0.000 0.189 442 N C 0.660 176.001 175.510 -0.283 0.000 1.154 442 N CA 0.465 53.178 53.050 -0.561 0.000 0.907 442 N CB 0.323 38.806 38.487 -0.007 0.000 0.977 442 N HN 0.454 nan 8.380 nan 0.000 0.449 443 R N -1.123 119.210 120.500 -0.278 0.000 2.875 443 R HA 0.605 4.940 4.340 -0.008 0.000 0.251 443 R C 0.796 177.006 176.300 -0.150 0.000 1.123 443 R CA -0.245 55.753 56.100 -0.171 0.000 1.064 443 R CB 0.862 31.053 30.300 -0.181 0.000 1.205 443 R HN 0.044 nan 8.270 nan 0.000 0.503 444 A N 0.753 123.523 122.820 -0.084 0.000 2.015 444 A HA -0.120 4.195 4.320 -0.008 0.000 0.219 444 A C 1.510 179.059 177.584 -0.058 0.000 1.163 444 A CA 1.386 53.402 52.037 -0.035 0.000 0.646 444 A CB -0.283 18.736 19.000 0.032 0.000 0.806 444 A HN 0.759 nan 8.150 nan 0.000 0.448 445 E N -0.265 119.831 120.200 -0.172 0.000 2.204 445 E HA -0.058 4.287 4.350 -0.008 0.000 0.195 445 E C 1.280 177.759 176.600 -0.201 0.000 0.990 445 E CA 0.839 57.062 56.400 -0.295 0.000 0.821 445 E CB -0.170 29.224 29.700 -0.510 0.000 0.750 445 E HN 0.622 nan 8.360 nan 0.000 0.477 446 L N -1.407 119.705 121.223 -0.185 0.000 2.640 446 L HA 0.315 4.651 4.340 -0.008 0.000 0.230 446 L C 1.070 177.893 176.870 -0.079 0.000 1.123 446 L CA 0.214 54.962 54.840 -0.154 0.000 0.900 446 L CB 0.583 42.505 42.059 -0.228 0.000 1.146 446 L HN 0.296 nan 8.230 nan 0.000 0.484 447 G N -1.048 107.724 108.800 -0.047 0.000 2.157 447 G HA2 -0.288 3.668 3.960 -0.008 0.000 0.239 447 G HA3 -0.288 3.668 3.960 -0.008 0.000 0.239 447 G C 0.514 175.468 174.900 0.090 0.000 0.982 447 G CA 0.020 45.169 45.100 0.083 0.000 0.650 447 G HN 0.161 nan 8.290 nan 0.000 0.527 448 S N -1.380 114.285 115.700 -0.058 0.000 3.550 448 S HA -0.270 4.195 4.470 -0.008 0.000 0.372 448 S C 1.150 175.822 174.600 0.119 0.000 0.966 448 S CA 1.565 59.743 58.200 -0.037 0.000 1.229 448 S CB -1.976 61.275 63.200 0.086 0.000 0.917 448 S HN 1.814 nan 8.310 nan 0.000 0.496 449 W N -1.708 119.659 121.300 0.112 0.000 4.374 449 W HA -0.281 4.376 4.660 -0.004 0.000 0.313 449 W C 0.399 176.978 176.519 0.100 0.000 1.129 449 W CA 0.669 58.081 57.345 0.112 0.000 0.761 449 W CB -1.896 27.585 29.460 0.036 0.000 2.171 449 W HN 0.657 nan 8.180 nan 0.000 1.566 450 D N 0.288 120.839 120.400 0.252 0.000 2.424 450 D HA 0.222 4.857 4.640 -0.008 0.000 0.244 450 D C 1.402 177.754 176.300 0.086 0.000 1.134 450 D CA 1.448 55.529 54.000 0.134 0.000 0.881 450 D CB 1.035 41.875 40.800 0.065 0.000 1.191 450 D HN 0.090 nan 8.370 nan 0.000 0.445 451 T N 0.026 114.558 114.554 -0.037 0.000 3.010 451 T HA 0.134 4.479 4.350 -0.008 0.000 0.257 451 T C 1.462 176.081 174.700 -0.134 0.000 1.020 451 T CA -0.259 61.729 62.100 -0.187 0.000 0.938 451 T CB 0.204 68.722 68.868 -0.583 0.000 1.049 451 T HN 0.216 nan 8.240 nan 0.000 0.522 452 K N 2.049 122.373 120.400 -0.126 0.000 2.029 452 K HA 0.108 4.424 4.320 -0.008 0.000 0.205 452 K C 2.374 178.873 176.600 -0.168 0.000 1.042 452 K CA 1.174 57.377 56.287 -0.140 0.000 0.949 452 K CB 0.154 32.577 32.500 -0.129 0.000 0.740 452 K HN 0.507 nan 8.250 nan 0.000 0.442 453 Q N -2.032 117.611 119.800 -0.262 0.000 2.211 453 Q HA 0.065 4.401 4.340 -0.008 0.000 0.242 453 Q C 0.316 176.239 176.000 -0.129 0.000 0.825 453 Q CA 0.027 55.677 55.803 -0.256 0.000 0.951 453 Q CB 0.481 28.995 28.738 -0.374 0.000 1.130 453 Q HN 0.220 nan 8.270 nan 0.000 0.496 454 Y N 1.819 122.117 120.300 -0.003 0.000 2.467 454 Y HA 0.387 4.932 4.550 -0.007 0.000 0.250 454 Y C -1.923 174.000 175.900 0.038 0.000 1.155 454 Y CA -2.799 55.300 58.100 -0.001 0.000 1.249 454 Y CB -0.516 37.947 38.460 0.004 0.000 1.146 454 Y HN 0.091 nan 8.280 nan 0.000 0.524 455 P HA 0.038 nan 4.420 nan 0.000 0.269 455 P C -0.087 177.370 177.300 0.262 0.000 1.215 455 P CA 0.423 63.665 63.100 0.237 0.000 0.780 455 P CB 1.567 33.400 31.700 0.222 0.000 0.898 456 I N 1.596 122.310 120.570 0.240 0.000 2.312 456 I HA 0.192 4.357 4.170 -0.008 0.000 0.290 456 I C 1.102 177.267 176.117 0.081 0.000 1.008 456 I CA -0.590 60.803 61.300 0.156 0.000 1.226 456 I CB 0.884 38.924 38.000 0.066 0.000 1.371 456 I HN 0.341 nan 8.210 nan 0.000 0.468 457 Q N 6.552 126.331 119.800 -0.036 0.000 2.289 457 Q HA 0.296 4.631 4.340 -0.008 0.000 0.273 457 Q C -1.075 174.607 176.000 -0.529 0.000 1.029 457 Q CA 0.061 55.538 55.803 -0.543 0.000 0.896 457 Q CB 0.679 29.094 28.738 -0.539 0.000 1.182 457 Q HN 0.567 nan 8.270 nan 0.000 0.385 458 L N 3.759 124.667 121.223 -0.526 0.000 2.387 458 L HA 0.474 4.809 4.340 -0.008 0.000 0.266 458 L C -0.741 175.927 176.870 -0.337 0.000 1.059 458 L CA -1.033 53.659 54.840 -0.247 0.000 0.801 458 L CB 0.672 42.768 42.059 0.061 0.000 1.223 458 L HN 0.649 nan 8.230 nan 0.000 0.456 459 Y N -0.948 119.471 120.300 0.197 0.000 2.524 459 Y HA 0.321 4.865 4.550 -0.010 0.000 0.344 459 Y C -0.470 175.223 175.900 -0.345 0.000 1.012 459 Y CA -0.610 57.507 58.100 0.027 0.000 1.068 459 Y CB 1.534 39.967 38.460 -0.045 0.000 1.249 459 Y HN 0.257 nan 8.280 nan 0.000 0.468 460 Y N 2.379 122.164 120.300 -0.859 0.000 2.336 460 Y HA 0.228 4.775 4.550 -0.006 0.000 0.335 460 Y C -0.257 175.335 175.900 -0.512 0.000 1.046 460 Y CA -0.902 56.466 58.100 -1.220 0.000 1.198 460 Y CB 0.570 38.174 38.460 -1.428 0.000 1.182 460 Y HN 0.537 nan 8.280 nan 0.000 0.502 461 D N 3.835 123.597 120.400 -1.063 0.000 2.499 461 D HA 0.071 4.707 4.640 -0.008 0.000 0.225 461 D C 0.973 176.701 176.300 -0.953 0.000 1.124 461 D CA 0.191 53.768 54.000 -0.705 0.000 0.938 461 D CB 0.461 41.018 40.800 -0.404 0.000 1.014 461 D HN 0.655 nan 8.370 nan 0.000 0.517 462 S N 2.173 117.401 115.700 -0.787 0.000 2.440 462 S HA -0.284 4.181 4.470 -0.008 0.000 0.240 462 S C 1.739 176.230 174.600 -0.182 0.000 1.014 462 S CA 1.375 59.318 58.200 -0.429 0.000 0.980 462 S CB -0.519 62.642 63.200 -0.066 0.000 0.775 462 S HN 0.739 nan 8.310 nan 0.000 0.499 463 H N 0.169 119.077 119.070 -0.270 0.000 2.355 463 H HA 0.201 4.754 4.556 -0.004 0.000 0.303 463 H C 1.989 177.219 175.328 -0.163 0.000 1.061 463 H CA 1.002 56.953 56.048 -0.161 0.000 1.368 463 H CB -0.100 29.584 29.762 -0.129 0.000 1.412 463 H HN 0.437 nan 8.280 nan 0.000 0.523 464 S N 0.315 115.984 115.700 -0.051 0.000 2.522 464 S HA -0.081 4.384 4.470 -0.008 0.000 0.227 464 S C 0.428 174.956 174.600 -0.119 0.000 0.986 464 S CA 0.576 58.717 58.200 -0.098 0.000 0.929 464 S CB -0.309 62.784 63.200 -0.179 0.000 0.769 464 S HN 0.635 nan 8.310 nan 0.000 0.529 465 N N 2.161 120.715 118.700 -0.243 0.000 2.671 465 N HA -0.164 4.572 4.740 -0.008 0.000 0.261 465 N C -1.418 174.059 175.510 -0.055 0.000 1.053 465 N CA 1.249 54.227 53.050 -0.120 0.000 0.732 465 N CB -1.355 37.180 38.487 0.081 0.000 0.887 465 N HN 0.623 nan 8.380 nan 0.000 0.546 466 D N -1.613 118.558 120.400 -0.383 0.000 2.692 466 D HA 0.514 5.149 4.640 -0.008 0.000 0.290 466 D C -1.162 174.993 176.300 -0.242 0.000 1.281 466 D CA -0.570 53.390 54.000 -0.066 0.000 0.804 466 D CB -0.188 40.620 40.800 0.012 0.000 1.331 466 D HN 0.143 nan 8.370 nan 0.000 0.432 467 W N 0.312 121.677 121.300 0.108 0.000 2.417 467 W HA 0.638 5.293 4.660 -0.009 0.000 0.315 467 W C 0.237 176.783 176.519 0.045 0.000 1.045 467 W CA -0.479 56.920 57.345 0.090 0.000 1.221 467 W CB 1.509 31.014 29.460 0.075 0.000 1.309 467 W HN 0.457 nan 8.180 nan 0.000 0.453 468 R N 2.412 123.022 120.500 0.184 0.000 2.781 468 R HA 0.995 5.330 4.340 -0.008 0.000 0.269 468 R C -0.557 175.830 176.300 0.144 0.000 1.025 468 R CA -1.443 54.738 56.100 0.135 0.000 0.914 468 R CB 1.673 32.007 30.300 0.056 0.000 1.236 468 R HN 0.530 nan 8.270 nan 0.000 0.465 469 G N 0.133 109.007 108.800 0.123 0.000 2.673 469 G HA2 0.355 4.311 3.960 -0.008 0.000 0.292 469 G HA3 0.355 4.311 3.960 -0.008 0.000 0.292 469 G C -1.806 173.153 174.900 0.097 0.000 1.450 469 G CA -1.208 43.972 45.100 0.134 0.000 0.837 469 G HN 0.568 nan 8.290 nan 0.000 0.505 470 N N -0.011 118.743 118.700 0.090 0.000 2.462 470 N HA 0.474 5.209 4.740 -0.008 0.000 0.242 470 N C -0.546 174.992 175.510 0.046 0.000 1.010 470 N CA -0.430 52.655 53.050 0.058 0.000 0.939 470 N CB 2.319 40.828 38.487 0.037 0.000 1.127 470 N HN 0.276 nan 8.380 nan 0.000 0.509 471 V N 2.318 122.253 119.914 0.034 0.000 2.417 471 V HA 0.275 4.390 4.120 -0.008 0.000 0.291 471 V C 0.229 176.303 176.094 -0.034 0.000 1.024 471 V CA -0.999 61.301 62.300 -0.001 0.000 0.861 471 V CB 1.778 33.591 31.823 -0.017 0.000 0.985 471 V HN 0.312 nan 8.190 nan 0.000 0.436 472 V N 6.497 126.378 119.914 -0.055 0.000 2.415 472 V HA 0.236 4.351 4.120 -0.008 0.000 0.267 472 V C -0.001 176.002 176.094 -0.153 0.000 1.042 472 V CA 0.068 62.314 62.300 -0.090 0.000 1.000 472 V CB 0.667 32.446 31.823 -0.074 0.000 1.015 472 V HN 0.477 nan 8.190 nan 0.000 0.478 473 L N 8.200 129.313 121.223 -0.184 0.000 2.319 473 L HA 0.680 5.015 4.340 -0.008 0.000 0.267 473 L C -2.331 174.365 176.870 -0.289 0.000 1.011 473 L CA -2.588 52.103 54.840 -0.248 0.000 0.818 473 L CB 2.233 44.150 42.059 -0.237 0.000 1.316 473 L HN 0.342 nan 8.230 nan 0.000 0.432 474 P HA 0.179 nan 4.420 nan 0.000 0.271 474 P C -0.926 176.209 177.300 -0.274 0.000 1.233 474 P CA -0.340 62.558 63.100 -0.337 0.000 0.764 474 P CB 0.540 32.010 31.700 -0.384 0.000 0.825 475 A N 3.631 126.312 122.820 -0.231 0.000 2.407 475 A HA 0.158 4.473 4.320 -0.008 0.000 0.248 475 A C 0.831 178.302 177.584 -0.189 0.000 1.082 475 A CA -0.241 51.667 52.037 -0.215 0.000 0.785 475 A CB -0.582 18.317 19.000 -0.167 0.000 1.020 475 A HN 0.689 nan 8.150 nan 0.000 0.489 476 E N -0.895 119.189 120.200 -0.193 0.000 2.791 476 E HA -0.182 4.164 4.350 -0.008 0.000 0.271 476 E C -0.398 176.124 176.600 -0.130 0.000 1.044 476 E CA 0.656 56.968 56.400 -0.147 0.000 0.814 476 E CB -0.823 28.811 29.700 -0.109 0.000 1.400 476 E HN 0.545 nan 8.360 nan 0.000 0.423 477 R N 0.545 120.953 120.500 -0.153 0.000 2.778 477 R HA 0.400 4.736 4.340 -0.008 0.000 0.277 477 R C 0.026 176.276 176.300 -0.084 0.000 0.977 477 R CA -0.927 55.101 56.100 -0.121 0.000 0.950 477 R CB 0.740 30.948 30.300 -0.154 0.000 1.165 477 R HN 0.010 nan 8.270 nan 0.000 0.474 478 N N 2.279 120.959 118.700 -0.034 0.000 2.499 478 N HA 0.372 5.107 4.740 -0.008 0.000 0.281 478 N C 0.078 175.609 175.510 0.035 0.000 1.098 478 N CA -0.220 52.847 53.050 0.029 0.000 0.979 478 N CB 1.327 39.843 38.487 0.049 0.000 1.121 478 N HN 0.482 nan 8.380 nan 0.000 0.466 479 I N -1.980 118.654 120.570 0.106 0.000 2.785 479 I HA 0.589 4.754 4.170 -0.008 0.000 0.302 479 I C -0.654 175.607 176.117 0.240 0.000 1.069 479 I CA -0.842 60.514 61.300 0.093 0.000 1.045 479 I CB 2.446 40.437 38.000 -0.014 0.000 1.236 479 I HN 0.145 nan 8.210 nan 0.000 0.429 480 E N 4.316 124.649 120.200 0.221 0.000 2.248 480 E HA 0.609 4.955 4.350 -0.008 0.000 0.267 480 E C -1.554 175.243 176.600 0.329 0.000 0.877 480 E CA -0.469 56.122 56.400 0.318 0.000 0.759 480 E CB 2.805 32.674 29.700 0.281 0.000 1.182 480 E HN 0.617 nan 8.360 nan 0.000 0.418 481 F N -1.118 118.853 119.950 0.036 0.000 2.711 481 F HA 0.706 5.231 4.527 -0.004 0.000 0.313 481 F C -1.098 174.820 175.800 0.196 0.000 1.141 481 F CA -1.381 56.618 58.000 -0.002 0.000 0.941 481 F CB 1.263 40.217 39.000 -0.077 0.000 1.349 481 F HN 0.206 nan 8.300 nan 0.000 0.464 482 K N 0.588 121.230 120.400 0.403 0.000 2.546 482 K HA 0.789 5.104 4.320 -0.008 0.000 0.264 482 K C -1.181 175.661 176.600 0.404 0.000 0.937 482 K CA -0.964 55.504 56.287 0.302 0.000 0.833 482 K CB 2.883 35.655 32.500 0.454 0.000 1.378 482 K HN 0.995 nan 8.250 nan 0.000 0.432 483 A N 1.584 124.523 122.820 0.198 0.000 2.257 483 A HA 0.883 5.198 4.320 -0.008 0.000 0.289 483 A C -0.790 176.873 177.584 0.131 0.000 1.095 483 A CA -0.247 51.893 52.037 0.170 0.000 0.836 483 A CB 0.053 19.159 19.000 0.176 0.000 1.111 483 A HN 0.657 nan 8.150 nan 0.000 0.497 484 F N -2.143 117.780 119.950 -0.046 0.000 2.693 484 F HA 0.730 5.253 4.527 -0.007 0.000 0.309 484 F C -1.306 174.488 175.800 -0.010 0.000 1.129 484 F CA -1.293 56.569 58.000 -0.230 0.000 0.948 484 F CB 0.727 39.081 39.000 -1.076 0.000 1.315 484 F HN 0.430 nan 8.300 nan 0.000 0.447 485 I N 2.025 122.671 120.570 0.126 0.000 2.525 485 I HA 0.490 4.655 4.170 -0.008 0.000 0.301 485 I C -0.545 175.587 176.117 0.025 0.000 0.992 485 I CA -0.976 60.270 61.300 -0.090 0.000 1.162 485 I CB 1.937 39.850 38.000 -0.145 0.000 1.332 485 I HN 0.506 nan 8.210 nan 0.000 0.458 486 K N 3.858 124.249 120.400 -0.014 0.000 2.545 486 K HA 0.345 4.661 4.320 -0.008 0.000 0.252 486 K C -0.594 176.015 176.600 0.015 0.000 0.948 486 K CA -0.343 55.979 56.287 0.059 0.000 0.827 486 K CB 2.230 34.800 32.500 0.115 0.000 1.128 486 K HN 0.852 nan 8.250 nan 0.000 0.429 487 S N 1.594 117.298 115.700 0.007 0.000 2.661 487 S HA 0.180 4.645 4.470 -0.008 0.000 0.265 487 S C 1.351 175.959 174.600 0.013 0.000 1.225 487 S CA -0.484 57.714 58.200 -0.003 0.000 0.986 487 S CB 1.568 64.763 63.200 -0.008 0.000 1.008 487 S HN 0.642 nan 8.310 nan 0.000 0.565 488 K N 1.359 121.766 120.400 0.011 0.000 2.015 488 K HA -0.286 4.030 4.320 -0.008 0.000 0.216 488 K C 1.568 178.179 176.600 0.019 0.000 1.052 488 K CA 2.723 59.022 56.287 0.019 0.000 0.937 488 K CB -1.446 31.064 32.500 0.015 0.000 0.719 488 K HN 0.896 nan 8.250 nan 0.000 0.446 489 D N -1.398 119.010 120.400 0.013 0.000 2.248 489 D HA -0.207 4.428 4.640 -0.008 0.000 0.191 489 D C 1.278 177.584 176.300 0.011 0.000 1.013 489 D CA 1.863 55.869 54.000 0.011 0.000 0.883 489 D CB -0.563 40.241 40.800 0.007 0.000 0.915 489 D HN 0.577 nan 8.370 nan 0.000 0.448 490 G N -0.862 107.945 108.800 0.012 0.000 2.141 490 G HA2 -0.144 3.811 3.960 -0.008 0.000 0.164 490 G HA3 -0.144 3.811 3.960 -0.008 0.000 0.164 490 G C 0.135 175.032 174.900 -0.006 0.000 1.009 490 G CA 0.109 45.213 45.100 0.006 0.000 0.677 490 G HN 0.836 nan 8.290 nan 0.000 0.508 491 T N -1.637 112.918 114.554 0.001 0.000 2.859 491 T HA 0.678 5.023 4.350 -0.008 0.000 0.281 491 T C 0.334 175.036 174.700 0.004 0.000 1.005 491 T CA -0.627 61.470 62.100 -0.005 0.000 1.025 491 T CB 2.661 71.529 68.868 -0.000 0.000 0.977 491 T HN 0.812 nan 8.240 nan 0.000 0.458 492 V N 3.575 123.479 119.914 -0.018 0.000 2.493 492 V HA 0.112 4.228 4.120 -0.008 0.000 0.292 492 V C 1.596 177.689 176.094 -0.001 0.000 1.016 492 V CA 0.129 62.411 62.300 -0.030 0.000 1.097 492 V CB 0.170 31.889 31.823 -0.173 0.000 0.947 492 V HN 1.087 nan 8.190 nan 0.000 0.479 493 K N 4.023 124.436 120.400 0.021 0.000 2.202 493 K HA 0.140 4.455 4.320 -0.008 0.000 0.201 493 K C 0.575 177.219 176.600 0.073 0.000 1.051 493 K CA 0.885 57.193 56.287 0.035 0.000 0.977 493 K CB 0.428 32.937 32.500 0.015 0.000 0.792 493 K HN 0.859 nan 8.250 nan 0.000 0.469 494 S N -2.170 113.582 115.700 0.085 0.000 2.633 494 S HA 0.366 4.832 4.470 -0.008 0.000 0.271 494 S C -1.863 172.835 174.600 0.164 0.000 1.112 494 S CA -1.238 57.078 58.200 0.192 0.000 0.828 494 S CB -0.085 63.306 63.200 0.317 0.000 1.086 494 S HN 0.242 nan 8.310 nan 0.000 0.461 495 W N 1.388 122.753 121.300 0.109 0.000 2.706 495 W HA 0.616 5.271 4.660 -0.009 0.000 0.346 495 W C 0.224 176.346 176.519 -0.661 0.000 1.071 495 W CA -0.513 56.750 57.345 -0.137 0.000 1.206 495 W CB 1.428 30.812 29.460 -0.126 0.000 1.413 495 W HN 0.981 nan 8.180 nan 0.000 0.542 496 Q N 1.075 120.428 119.800 -0.745 0.000 2.330 496 Q HA 0.033 4.368 4.340 -0.008 0.000 0.279 496 Q C 0.761 176.462 176.000 -0.499 0.000 1.024 496 Q CA 0.733 55.839 55.803 -1.161 0.000 0.900 496 Q CB 1.251 29.549 28.738 -0.733 0.000 1.221 496 Q HN 0.653 nan 8.270 nan 0.000 0.396 497 T N 3.947 118.220 114.554 -0.467 0.000 2.720 497 T HA -0.074 4.272 4.350 -0.008 0.000 0.268 497 T C 0.352 174.953 174.700 -0.164 0.000 1.037 497 T CA 1.325 63.295 62.100 -0.217 0.000 1.144 497 T CB -0.109 68.676 68.868 -0.138 0.000 0.864 497 T HN 0.588 nan 8.240 nan 0.000 0.444 498 I N 0.585 121.055 120.570 -0.166 0.000 2.404 498 I HA 0.362 4.527 4.170 -0.008 0.000 0.293 498 I C -0.057 175.974 176.117 -0.144 0.000 0.992 498 I CA -0.975 60.248 61.300 -0.129 0.000 1.149 498 I CB 1.376 39.318 38.000 -0.097 0.000 1.315 498 I HN -0.084 nan 8.210 nan 0.000 0.446 499 Q N 5.094 124.820 119.800 -0.123 0.000 2.281 499 Q HA 0.124 4.459 4.340 -0.008 0.000 0.267 499 Q C -0.401 175.499 176.000 -0.166 0.000 1.053 499 Q CA -0.411 55.329 55.803 -0.104 0.000 0.905 499 Q CB 0.692 29.399 28.738 -0.052 0.000 1.195 499 Q HN 0.508 nan 8.270 nan 0.000 0.398 500 Q N 1.375 120.953 119.800 -0.369 0.000 2.526 500 Q HA 0.346 4.681 4.340 -0.008 0.000 0.207 500 Q C -0.474 175.289 176.000 -0.394 0.000 1.078 500 Q CA 0.074 55.524 55.803 -0.588 0.000 1.041 500 Q CB 1.344 29.256 28.738 -1.376 0.000 1.228 500 Q HN 0.811 nan 8.270 nan 0.000 0.603 501 S N -1.234 114.377 115.700 -0.148 0.000 2.606 501 S HA 0.370 4.835 4.470 -0.008 0.000 0.290 501 S C -2.208 172.653 174.600 0.435 0.000 1.103 501 S CA -0.979 57.374 58.200 0.257 0.000 0.870 501 S CB 0.576 63.868 63.200 0.152 0.000 1.077 501 S HN 0.532 nan 8.310 nan 0.000 0.448 502 W N 3.048 124.532 121.300 0.306 0.000 2.463 502 W HA 0.525 5.180 4.660 -0.008 0.000 0.316 502 W C -1.216 175.372 176.519 0.115 0.000 1.004 502 W CA -1.152 56.332 57.345 0.233 0.000 1.309 502 W CB 1.007 30.583 29.460 0.193 0.000 1.288 502 W HN 0.895 nan 8.180 nan 0.000 0.423 503 N N 6.300 125.221 118.700 0.370 0.000 2.746 503 N HA 0.316 5.052 4.740 -0.008 0.000 0.250 503 N C -2.420 173.163 175.510 0.122 0.000 1.146 503 N CA -0.836 52.324 53.050 0.184 0.000 0.828 503 N CB 1.943 40.520 38.487 0.149 0.000 1.158 503 N HN 0.070 nan 8.380 nan 0.000 0.519 504 P HA 0.365 nan 4.420 nan 0.000 0.309 504 P C -0.480 176.695 177.300 -0.209 0.000 1.302 504 P CA -0.579 62.508 63.100 -0.022 0.000 0.835 504 P CB 1.113 32.773 31.700 -0.067 0.000 1.324 505 V N 1.266 120.963 119.914 -0.362 0.000 2.599 505 V HA 0.095 4.210 4.120 -0.008 0.000 0.300 505 V C -1.978 173.746 176.094 -0.616 0.000 1.034 505 V CA -0.793 61.028 62.300 -0.798 0.000 1.115 505 V CB -0.524 30.942 31.823 -0.595 0.000 0.934 505 V HN 0.548 nan 8.190 nan 0.000 0.485 506 P HA 0.071 nan 4.420 nan 0.000 0.268 506 P C 0.697 177.826 177.300 -0.285 0.000 1.205 506 P CA -0.355 62.514 63.100 -0.384 0.000 0.771 506 P CB 0.561 32.078 31.700 -0.305 0.000 0.858 507 L N 1.558 122.676 121.223 -0.176 0.000 2.131 507 L HA -0.081 4.255 4.340 -0.008 0.000 0.210 507 L C 0.944 177.746 176.870 -0.113 0.000 1.092 507 L CA 2.090 56.851 54.840 -0.132 0.000 0.759 507 L CB -0.920 41.087 42.059 -0.087 0.000 0.903 507 L HN 0.404 nan 8.230 nan 0.000 0.435 508 K N -0.460 119.881 120.400 -0.097 0.000 2.203 508 K HA 0.286 4.601 4.320 -0.008 0.000 0.251 508 K C -0.089 176.477 176.600 -0.058 0.000 0.944 508 K CA -0.643 55.606 56.287 -0.064 0.000 0.829 508 K CB 0.313 32.792 32.500 -0.033 0.000 1.125 508 K HN -0.207 nan 8.250 nan 0.000 0.430 509 T N 2.662 117.194 114.554 -0.037 0.000 2.800 509 T HA 0.049 4.395 4.350 -0.008 0.000 0.283 509 T C 0.085 174.806 174.700 0.035 0.000 0.999 509 T CA 0.772 62.868 62.100 -0.008 0.000 1.176 509 T CB -0.109 68.760 68.868 0.001 0.000 0.973 509 T HN 0.628 nan 8.240 nan 0.000 0.519 510 T N 1.182 115.794 114.554 0.096 0.000 2.550 510 T HA 0.725 5.071 4.350 -0.008 0.000 0.256 510 T C -0.311 174.534 174.700 0.241 0.000 0.866 510 T CA -0.907 61.294 62.100 0.168 0.000 1.163 510 T CB 1.386 70.404 68.868 0.250 0.000 1.460 510 T HN 0.606 nan 8.240 nan 0.000 0.498 511 S N 0.440 116.303 115.700 0.271 0.000 2.540 511 S HA 0.478 4.944 4.470 -0.008 0.000 0.275 511 S C -1.687 172.973 174.600 0.100 0.000 1.123 511 S CA -0.774 57.554 58.200 0.213 0.000 0.907 511 S CB 1.496 64.759 63.200 0.105 0.000 1.081 511 S HN 0.826 nan 8.310 nan 0.000 0.476 512 H N 2.546 121.524 119.070 -0.154 0.000 2.541 512 H HA 0.545 5.095 4.556 -0.011 0.000 0.316 512 H C -0.981 174.239 175.328 -0.179 0.000 1.043 512 H CA 0.085 55.836 56.048 -0.495 0.000 1.232 512 H CB 1.143 30.276 29.762 -1.048 0.000 1.406 512 H HN 0.770 nan 8.280 nan 0.000 0.469 513 T N 3.945 118.373 114.554 -0.210 0.000 2.829 513 T HA 0.466 4.811 4.350 -0.008 0.000 0.280 513 T C -0.510 174.179 174.700 -0.018 0.000 0.999 513 T CA -0.749 61.337 62.100 -0.023 0.000 0.983 513 T CB 1.237 70.079 68.868 -0.043 0.000 0.968 513 T HN 0.682 nan 8.240 nan 0.000 0.446 514 S N 1.423 117.178 115.700 0.092 0.000 2.596 514 S HA 0.756 5.221 4.470 -0.008 0.000 0.270 514 S C -1.016 173.651 174.600 0.112 0.000 1.155 514 S CA -0.892 57.354 58.200 0.077 0.000 0.827 514 S CB 1.796 65.049 63.200 0.088 0.000 1.130 514 S HN 0.449 nan 8.310 nan 0.000 0.467 515 S N 1.287 117.044 115.700 0.096 0.000 2.549 515 S HA 0.487 4.952 4.470 -0.008 0.000 0.297 515 S C -0.243 174.469 174.600 0.187 0.000 1.115 515 S CA -0.730 57.560 58.200 0.150 0.000 1.059 515 S CB 0.546 63.815 63.200 0.115 0.000 1.046 515 S HN 0.627 nan 8.310 nan 0.000 0.506 516 W N 0.000 121.325 121.300 0.041 0.000 2.388 516 W HA 0.000 4.654 4.660 -0.010 0.000 0.303 516 W CA 0.000 57.367 57.345 0.036 0.000 1.226 516 W CB 0.000 29.479 29.460 0.032 0.000 1.126 516 W HN 0.000 nan 8.180 nan 0.000 0.535