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 1dy7_1_B DATA FIRST_RESID 32 DATA SEQUENCE LAQQDVAAPG APEGVSALSD AQYNEANKIY FERCAGCHGV LRKGATGKAL DATA SEQUENCE TPDLTRDLGF DYLQSFITYG SPAGMPNWGT SGELSAEQVD LMANYLLLDP DATA SEQUENCE AAPPEFGMKE MRESWKVHVA PEDRPTQQEN DWDLENLFSV TLRDAGQIAL DATA SEQUENCE IDGATYEIKS VLDTGYAVHI SRLSASGRYL FVIGRDGKVN MIDLWMKEPT DATA SEQUENCE TVAEIKIGSE ARSIETSKME GWEDKYAIAG AYWPPQYVIM DGETLEPKKI DATA SEQUENCE QSTRGMTYDE QEYHPEPRVA AILASHYRPE FIVNVKETGK ILLVDYTDLD DATA SEQUENCE NLKTTEISAE RFLHDGGLDG SHRYFITAAN ARNKLVVIDT KEGKLVAIED DATA SEQUENCE TGGQTPHPGR GANFVHPTFG PVWATSHMGD DSVALIGTDP EGHPDNAWKI DATA SEQUENCE LDSFPALGGG SLFIKTHPNS QYLYVDATLN PEAEISGSVA VFDIKAMTGD DATA SEQUENCE GSDPEFKTLP IAEWAGITEG QPRVVQGEFN KDGTEVWFSV WNGKDQESAL DATA SEQUENCE VVVDDKTLEL KHVIKDERLV TPTGKFNVYN TMTDTY 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 32 L HA 0.000 nan 4.340 nan 0.000 0.249 32 L C 0.000 176.697 176.870 -0.288 0.000 1.165 32 L CA 0.000 54.608 54.840 -0.388 0.000 0.813 32 L CB 0.000 41.533 42.059 -0.876 0.000 0.961 33 A N 1.066 123.862 122.820 -0.041 0.000 1.930 33 A HA -0.203 4.116 4.320 -0.001 0.000 0.217 33 A C 1.999 179.613 177.584 0.050 0.000 1.175 33 A CA 1.955 54.057 52.037 0.108 0.000 0.627 33 A CB -0.422 18.644 19.000 0.109 0.000 0.815 33 A HN 0.651 nan 8.150 nan 0.000 0.443 34 Q N -0.457 119.350 119.800 0.012 0.000 2.451 34 Q HA 0.023 4.363 4.340 -0.001 0.000 0.206 34 Q C 0.959 176.970 176.000 0.018 0.000 0.947 34 Q CA 0.244 56.055 55.803 0.012 0.000 0.937 34 Q CB -0.289 28.450 28.738 0.001 0.000 1.025 34 Q HN 0.723 nan 8.270 nan 0.000 0.511 35 Q N 1.737 121.541 119.800 0.007 0.000 2.313 35 Q HA 0.039 4.378 4.340 -0.001 0.000 0.266 35 Q C -1.249 174.782 176.000 0.052 0.000 0.989 35 Q CA -0.180 55.634 55.803 0.018 0.000 0.890 35 Q CB 0.847 29.573 28.738 -0.019 0.000 1.200 35 Q HN 0.127 nan 8.270 nan 0.000 0.396 36 D N 2.878 123.314 120.400 0.060 0.000 2.277 36 D HA 0.333 4.973 4.640 -0.001 0.000 0.249 36 D C -0.832 175.527 176.300 0.099 0.000 1.134 36 D CA -0.380 53.667 54.000 0.079 0.000 0.863 36 D CB 0.997 41.835 40.800 0.063 0.000 1.143 36 D HN 0.339 nan 8.370 nan 0.000 0.458 37 V N 0.754 120.755 119.914 0.146 0.000 3.113 37 V HA 0.936 5.056 4.120 -0.001 0.000 0.316 37 V C -0.156 176.027 176.094 0.148 0.000 1.125 37 V CA -1.199 61.200 62.300 0.165 0.000 1.026 37 V CB 1.327 33.309 31.823 0.265 0.000 1.080 37 V HN 0.614 nan 8.190 nan 0.000 0.444 38 A N 1.129 123.997 122.820 0.080 0.000 2.327 38 A HA 0.845 5.165 4.320 -0.001 0.000 0.283 38 A C 0.476 177.981 177.584 -0.132 0.000 1.127 38 A CA -0.083 51.956 52.037 0.002 0.000 0.810 38 A CB 0.522 19.508 19.000 -0.024 0.000 1.066 38 A HN 2.169 nan 8.150 nan 0.000 0.492 39 A N 4.378 127.102 122.820 -0.159 0.000 2.404 39 A HA 0.572 4.892 4.320 -0.001 0.000 0.273 39 A C -1.835 175.516 177.584 -0.388 0.000 1.144 39 A CA -1.122 50.667 52.037 -0.413 0.000 0.806 39 A CB -0.558 18.355 19.000 -0.145 0.000 1.080 39 A HN 0.695 nan 8.150 nan 0.000 0.509 40 P HA 0.310 nan 4.420 nan 0.000 0.274 40 P C 0.490 177.660 177.300 -0.216 0.000 1.231 40 P CA 0.026 62.934 63.100 -0.320 0.000 0.790 40 P CB 0.914 32.411 31.700 -0.338 0.000 0.951 41 G N 0.494 109.213 108.800 -0.135 0.000 2.634 41 G HA2 0.480 4.439 3.960 -0.001 0.000 0.255 41 G HA3 0.480 4.439 3.960 -0.001 0.000 0.255 41 G C -0.698 174.153 174.900 -0.082 0.000 1.205 41 G CA -0.405 44.641 45.100 -0.090 0.000 0.884 41 G HN 0.693 nan 8.290 nan 0.000 0.549 42 A N 1.226 124.013 122.820 -0.056 0.000 2.317 42 A HA 0.788 5.108 4.320 -0.001 0.000 0.327 42 A C -1.552 176.010 177.584 -0.037 0.000 1.178 42 A CA -1.170 50.840 52.037 -0.044 0.000 0.817 42 A CB 1.027 20.009 19.000 -0.030 0.000 1.189 42 A HN 0.634 nan 8.150 nan 0.000 0.489 43 P HA 0.203 nan 4.420 nan 0.000 0.289 43 P C -0.232 177.054 177.300 -0.023 0.000 1.299 43 P CA -0.673 62.409 63.100 -0.030 0.000 0.766 43 P CB 0.400 32.082 31.700 -0.031 0.000 1.226 44 E N -0.608 119.580 120.200 -0.020 0.000 2.529 44 E HA 0.146 4.495 4.350 -0.001 0.000 0.259 44 E C 0.823 177.416 176.600 -0.013 0.000 0.966 44 E CA 1.004 57.395 56.400 -0.016 0.000 0.937 44 E CB -0.614 29.077 29.700 -0.014 0.000 0.923 44 E HN 0.774 nan 8.360 nan 0.000 0.468 45 G N 2.608 111.400 108.800 -0.012 0.000 2.148 45 G HA2 -0.242 3.717 3.960 -0.001 0.000 0.254 45 G HA3 -0.242 3.717 3.960 -0.001 0.000 0.254 45 G C -0.141 174.755 174.900 -0.006 0.000 0.981 45 G CA 0.223 45.318 45.100 -0.008 0.000 0.670 45 G HN 0.477 nan 8.290 nan 0.000 0.528 46 V N 0.223 120.130 119.914 -0.012 0.000 2.735 46 V HA 0.752 4.871 4.120 -0.001 0.000 0.310 46 V C 0.309 176.389 176.094 -0.023 0.000 1.061 46 V CA -0.466 61.828 62.300 -0.010 0.000 0.913 46 V CB 2.080 33.900 31.823 -0.005 0.000 1.005 46 V HN 0.312 nan 8.190 nan 0.000 0.428 47 S N 2.184 117.864 115.700 -0.033 0.000 2.541 47 S HA 0.778 5.247 4.470 -0.001 0.000 0.283 47 S C 0.202 174.792 174.600 -0.015 0.000 1.196 47 S CA -0.322 57.853 58.200 -0.041 0.000 1.062 47 S CB 1.685 64.835 63.200 -0.083 0.000 1.009 47 S HN 1.085 nan 8.310 nan 0.000 0.502 48 A N 2.627 125.440 122.820 -0.012 0.000 2.286 48 A HA 0.719 5.038 4.320 -0.001 0.000 0.286 48 A C -0.456 177.147 177.584 0.031 0.000 1.097 48 A CA -0.557 51.483 52.037 0.004 0.000 0.821 48 A CB 0.192 19.185 19.000 -0.012 0.000 1.076 48 A HN 0.802 nan 8.150 nan 0.000 0.490 49 L N 1.296 122.560 121.223 0.068 0.000 2.334 49 L HA 0.422 4.761 4.340 -0.001 0.000 0.273 49 L C 0.943 177.868 176.870 0.091 0.000 1.013 49 L CA -0.652 54.254 54.840 0.110 0.000 0.816 49 L CB 2.008 44.200 42.059 0.223 0.000 1.278 49 L HN 0.951 nan 8.230 nan 0.000 0.431 50 S N -0.290 115.459 115.700 0.082 0.000 2.608 50 S HA 0.067 4.537 4.470 -0.001 0.000 0.261 50 S C 0.536 175.197 174.600 0.102 0.000 1.314 50 S CA -0.616 57.624 58.200 0.066 0.000 0.992 50 S CB 0.934 64.165 63.200 0.051 0.000 0.935 50 S HN 0.600 nan 8.310 nan 0.000 0.564 51 D N 1.394 121.840 120.400 0.077 0.000 2.104 51 D HA -0.089 4.551 4.640 -0.001 0.000 0.194 51 D C 2.248 178.623 176.300 0.125 0.000 0.994 51 D CA 1.981 56.041 54.000 0.099 0.000 0.830 51 D CB -1.023 39.813 40.800 0.062 0.000 0.959 51 D HN 0.699 nan 8.370 nan 0.000 0.452 52 A N 0.741 123.613 122.820 0.086 0.000 1.902 52 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 52 A C 2.159 179.787 177.584 0.075 0.000 1.181 52 A CA 1.584 53.664 52.037 0.071 0.000 0.623 52 A CB -0.649 18.379 19.000 0.047 0.000 0.818 52 A HN 0.232 nan 8.150 nan 0.000 0.443 53 Q N -2.124 117.728 119.800 0.086 0.000 2.050 53 Q HA -0.199 4.141 4.340 -0.001 0.000 0.202 53 Q C 2.051 178.111 176.000 0.100 0.000 0.980 53 Q CA 1.846 57.696 55.803 0.079 0.000 0.840 53 Q CB -0.342 28.450 28.738 0.089 0.000 0.898 53 Q HN 0.824 nan 8.270 nan 0.000 0.424 54 Y N 1.593 121.933 120.300 0.067 0.000 2.200 54 Y HA -0.175 4.375 4.550 -0.001 0.000 0.290 54 Y C 1.914 177.879 175.900 0.108 0.000 1.137 54 Y CA 1.302 59.473 58.100 0.118 0.000 1.163 54 Y CB -0.009 38.516 38.460 0.109 0.000 0.988 54 Y HN 0.121 nan 8.280 nan 0.000 0.518 55 N N 0.325 119.122 118.700 0.162 0.000 2.188 55 N HA -0.201 4.538 4.740 -0.001 0.000 0.184 55 N C 1.847 177.338 175.510 -0.032 0.000 1.018 55 N CA 1.425 54.524 53.050 0.082 0.000 0.858 55 N CB -0.250 38.306 38.487 0.114 0.000 0.989 55 N HN 0.583 nan 8.380 nan 0.000 0.426 56 E N 0.932 121.108 120.200 -0.041 0.000 2.077 56 E HA -0.118 4.232 4.350 -0.001 0.000 0.193 56 E C 1.832 178.321 176.600 -0.184 0.000 0.989 56 E CA 1.043 57.395 56.400 -0.079 0.000 0.800 56 E CB 0.035 29.706 29.700 -0.049 0.000 0.746 56 E HN 0.292 nan 8.360 nan 0.000 0.452 57 A N 1.331 123.987 122.820 -0.274 0.000 1.930 57 A HA -0.197 4.122 4.320 -0.001 0.000 0.217 57 A C 2.065 179.147 177.584 -0.838 0.000 1.175 57 A CA 1.420 53.145 52.037 -0.519 0.000 0.627 57 A CB -0.754 17.943 19.000 -0.505 0.000 0.815 57 A HN 0.377 nan 8.150 nan 0.000 0.443 58 N N -0.088 118.203 118.700 -0.682 0.000 2.120 58 N HA -0.198 4.542 4.740 -0.001 0.000 0.188 58 N C 1.895 177.337 175.510 -0.112 0.000 1.024 58 N CA 1.676 54.479 53.050 -0.412 0.000 0.852 58 N CB -0.187 38.276 38.487 -0.040 0.000 1.003 58 N HN 0.603 nan 8.380 nan 0.000 0.424 59 K N 0.868 121.218 120.400 -0.082 0.000 2.026 59 K HA -0.093 4.227 4.320 -0.001 0.000 0.208 59 K C 2.232 178.783 176.600 -0.083 0.000 1.048 59 K CA 1.007 57.290 56.287 -0.007 0.000 0.929 59 K CB -0.102 32.385 32.500 -0.022 0.000 0.713 59 K HN 0.165 nan 8.250 nan 0.000 0.439 60 I N 0.338 120.786 120.570 -0.204 0.000 2.163 60 I HA -0.304 3.866 4.170 -0.001 0.000 0.243 60 I C 2.334 178.243 176.117 -0.346 0.000 1.085 60 I CA 1.329 62.468 61.300 -0.269 0.000 1.347 60 I CB -0.414 37.394 38.000 -0.320 0.000 1.044 60 I HN 0.245 nan 8.210 nan 0.000 0.408 61 Y N 1.233 121.199 120.300 -0.558 0.000 2.081 61 Y HA -0.322 4.228 4.550 -0.001 0.000 0.280 61 Y C 2.216 177.828 175.900 -0.480 0.000 1.163 61 Y CA 1.868 59.594 58.100 -0.624 0.000 1.135 61 Y CB -0.479 37.447 38.460 -0.891 0.000 0.970 61 Y HN -0.001 nan 8.280 nan 0.000 0.498 62 F N 0.270 120.143 119.950 -0.128 0.000 2.325 62 F HA -0.066 4.460 4.527 -0.001 0.000 0.299 62 F C 2.283 178.005 175.800 -0.130 0.000 1.090 62 F CA 1.431 59.363 58.000 -0.113 0.000 1.392 62 F CB -0.436 38.566 39.000 0.003 0.000 1.053 62 F HN 0.132 nan 8.300 nan 0.000 0.521 63 E N -0.433 119.771 120.200 0.006 0.000 2.112 63 E HA -0.045 4.305 4.350 -0.001 0.000 0.190 63 E C 1.876 178.452 176.600 -0.040 0.000 0.979 63 E CA 0.594 56.995 56.400 0.002 0.000 0.814 63 E CB 0.129 29.819 29.700 -0.016 0.000 0.762 63 E HN 0.225 nan 8.360 nan 0.000 0.460 64 R N -0.998 119.399 120.500 -0.170 0.000 2.394 64 R HA 0.198 4.538 4.340 -0.001 0.000 0.220 64 R C 1.572 177.740 176.300 -0.220 0.000 0.887 64 R CA 0.301 56.297 56.100 -0.173 0.000 1.034 64 R CB 0.356 30.421 30.300 -0.391 0.000 1.179 64 R HN 0.202 nan 8.270 nan 0.000 0.561 65 C N -0.557 118.482 119.300 -0.434 0.000 2.800 65 C HA 0.383 4.843 4.460 -0.001 0.000 0.379 65 C C 2.475 177.208 174.990 -0.428 0.000 1.304 65 C CA 0.228 58.986 59.018 -0.435 0.000 1.960 65 C CB 0.016 27.299 27.740 -0.760 0.000 2.599 65 C HN 0.407 nan 8.230 nan 0.000 0.578 66 A N 1.482 123.900 122.820 -0.670 0.000 2.067 66 A HA 0.141 4.460 4.320 -0.001 0.000 0.219 66 A C 2.260 179.829 177.584 -0.026 0.000 1.158 66 A CA 1.858 53.698 52.037 -0.328 0.000 0.661 66 A CB -1.047 17.870 19.000 -0.139 0.000 0.801 66 A HN 0.566 nan 8.150 nan 0.000 0.452 67 G N -1.410 107.389 108.800 -0.001 0.000 2.448 67 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.219 67 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.219 67 G C 1.295 176.223 174.900 0.048 0.000 1.127 67 G CA 1.481 46.628 45.100 0.079 0.000 0.766 67 G HN 0.541 nan 8.290 nan 0.000 0.552 68 C N -1.640 117.656 119.300 -0.007 0.000 2.800 68 C HA 0.328 4.788 4.460 -0.001 0.000 0.379 68 C C 1.969 176.846 174.990 -0.188 0.000 1.304 68 C CA -0.197 58.761 59.018 -0.100 0.000 1.960 68 C CB -0.389 27.242 27.740 -0.182 0.000 2.599 68 C HN 0.481 nan 8.230 nan 0.000 0.578 69 H N 0.793 119.887 119.070 0.040 0.000 2.575 69 H HA 0.300 4.856 4.556 -0.001 0.000 0.267 69 H C 1.303 176.709 175.328 0.129 0.000 0.966 69 H CA 1.322 57.424 56.048 0.090 0.000 1.165 69 H CB 0.266 30.107 29.762 0.131 0.000 1.433 69 H HN 0.555 nan 8.280 nan 0.000 0.544 70 G N 0.131 109.050 108.800 0.198 0.000 2.692 70 G HA2 -0.225 3.734 3.960 -0.001 0.000 0.686 70 G HA3 -0.225 3.734 3.960 -0.001 0.000 0.686 70 G C 0.753 175.799 174.900 0.244 0.000 1.243 70 G CA -0.205 45.011 45.100 0.193 0.000 0.782 70 G HN 0.075 nan 8.290 nan 0.000 0.625 71 V N 1.367 121.393 119.914 0.186 0.000 2.343 71 V HA -0.102 4.018 4.120 -0.001 0.000 0.247 71 V C 2.744 178.900 176.094 0.103 0.000 1.051 71 V CA 2.412 64.812 62.300 0.167 0.000 1.036 71 V CB -0.514 31.134 31.823 -0.292 0.000 0.654 71 V HN 0.553 nan 8.190 nan 0.000 0.451 72 L N -0.600 120.635 121.223 0.019 0.000 2.591 72 L HA 0.207 4.547 4.340 -0.001 0.000 0.228 72 L C 1.130 178.014 176.870 0.023 0.000 1.133 72 L CA 0.167 55.014 54.840 0.013 0.000 0.880 72 L CB -0.175 41.921 42.059 0.062 0.000 1.033 72 L HN 0.320 nan 8.230 nan 0.000 0.450 73 R N -0.932 119.615 120.500 0.078 0.000 3.878 73 R HA -0.163 4.177 4.340 -0.001 0.000 0.330 73 R C 0.661 177.001 176.300 0.067 0.000 1.186 73 R CA 0.352 56.500 56.100 0.079 0.000 0.885 73 R CB -1.550 28.697 30.300 -0.089 0.000 1.377 73 R HN 0.271 nan 8.270 nan 0.000 0.523 74 K N 0.881 121.323 120.400 0.069 0.000 2.459 74 K HA 0.089 4.409 4.320 -0.001 0.000 0.193 74 K C 1.073 177.705 176.600 0.053 0.000 1.030 74 K CA 1.132 57.435 56.287 0.026 0.000 1.026 74 K CB 0.457 32.934 32.500 -0.038 0.000 0.809 74 K HN 0.551 nan 8.250 nan 0.000 0.504 75 G N 0.264 109.135 108.800 0.119 0.000 2.785 75 G HA2 0.045 4.004 3.960 -0.001 0.000 0.686 75 G HA3 0.045 4.004 3.960 -0.001 0.000 0.686 75 G C -0.121 174.848 174.900 0.114 0.000 1.155 75 G CA -0.300 44.878 45.100 0.130 0.000 0.760 75 G HN 0.359 nan 8.290 nan 0.000 0.624 76 A N 0.843 123.712 122.820 0.083 0.000 2.144 76 A HA 0.854 5.174 4.320 -0.001 0.000 0.191 76 A C 2.329 179.974 177.584 0.101 0.000 1.705 76 A CA 1.271 53.361 52.037 0.089 0.000 1.653 76 A CB -0.657 18.378 19.000 0.059 0.000 1.624 76 A HN 2.370 nan 8.150 nan 0.000 0.691 77 T N -1.347 113.237 114.554 0.050 0.000 2.857 77 T HA 0.290 4.639 4.350 -0.001 0.000 0.266 77 T C 1.113 175.785 174.700 -0.046 0.000 1.048 77 T CA 1.293 63.413 62.100 0.033 0.000 1.139 77 T CB -0.794 68.078 68.868 0.007 0.000 0.874 77 T HN 1.030 nan 8.240 nan 0.000 0.455 78 G N 0.792 109.470 108.800 -0.202 0.000 2.451 78 G HA2 0.524 4.483 3.960 -0.001 0.000 0.303 78 G HA3 0.524 4.483 3.960 -0.001 0.000 0.303 78 G C -0.646 174.209 174.900 -0.074 0.000 1.166 78 G CA -0.978 43.907 45.100 -0.357 0.000 0.884 78 G HN 0.382 nan 8.290 nan 0.000 0.514 79 K N -0.072 120.395 120.400 0.111 0.000 2.336 79 K HA 0.355 4.675 4.320 -0.001 0.000 0.262 79 K C 0.750 177.489 176.600 0.232 0.000 0.992 79 K CA -0.041 56.337 56.287 0.152 0.000 0.927 79 K CB 0.660 33.212 32.500 0.086 0.000 0.956 79 K HN 0.559 nan 8.250 nan 0.000 0.495 80 A N 2.227 125.117 122.820 0.116 0.000 2.511 80 A HA 0.133 4.452 4.320 -0.001 0.000 0.242 80 A C 0.266 177.873 177.584 0.039 0.000 1.069 80 A CA 0.102 52.188 52.037 0.082 0.000 0.763 80 A CB -0.176 18.841 19.000 0.029 0.000 1.001 80 A HN 0.691 nan 8.150 nan 0.000 0.498 81 L N 2.825 124.056 121.223 0.012 0.000 3.255 81 L HA 0.154 4.494 4.340 -0.001 0.000 0.293 81 L C 0.521 177.338 176.870 -0.089 0.000 1.302 81 L CA -0.279 54.525 54.840 -0.061 0.000 0.977 81 L CB 0.033 42.022 42.059 -0.118 0.000 1.390 81 L HN 0.866 nan 8.230 nan 0.000 0.588 82 T N -3.813 110.701 114.554 -0.066 0.000 2.899 82 T HA 0.210 4.560 4.350 -0.001 0.000 0.295 82 T C -1.750 172.903 174.700 -0.078 0.000 1.033 82 T CA -1.502 60.551 62.100 -0.078 0.000 1.084 82 T CB 1.138 69.976 68.868 -0.050 0.000 0.979 82 T HN -0.124 nan 8.240 nan 0.000 0.532 83 P HA -0.177 nan 4.420 nan 0.000 0.216 83 P C 1.450 178.718 177.300 -0.053 0.000 1.150 83 P CA 1.291 64.349 63.100 -0.071 0.000 0.843 83 P CB -0.031 31.625 31.700 -0.073 0.000 0.787 84 D N -0.267 120.105 120.400 -0.047 0.000 2.123 84 D HA -0.171 4.468 4.640 -0.001 0.000 0.196 84 D C 1.883 178.156 176.300 -0.045 0.000 0.992 84 D CA 1.351 55.328 54.000 -0.039 0.000 0.833 84 D CB -1.122 39.659 40.800 -0.032 0.000 0.954 84 D HN 0.224 nan 8.370 nan 0.000 0.455 85 L N 0.531 121.723 121.223 -0.051 0.000 2.127 85 L HA -0.040 4.300 4.340 -0.001 0.000 0.203 85 L C 2.891 179.714 176.870 -0.079 0.000 1.080 85 L CA 1.524 56.326 54.840 -0.063 0.000 0.768 85 L CB -0.786 41.238 42.059 -0.058 0.000 0.924 85 L HN 0.187 nan 8.230 nan 0.000 0.444 86 T N -2.693 111.821 114.554 -0.068 0.000 2.904 86 T HA -0.136 4.214 4.350 -0.001 0.000 0.267 86 T C 1.977 176.653 174.700 -0.039 0.000 1.059 86 T CA 0.632 62.696 62.100 -0.060 0.000 1.137 86 T CB -0.237 68.602 68.868 -0.048 0.000 0.879 86 T HN 0.208 nan 8.240 nan 0.000 0.467 87 R N 1.060 121.541 120.500 -0.033 0.000 2.148 87 R HA -0.005 4.334 4.340 -0.001 0.000 0.227 87 R C 1.967 178.255 176.300 -0.021 0.000 1.103 87 R CA 1.390 57.482 56.100 -0.013 0.000 0.983 87 R CB -0.199 30.092 30.300 -0.016 0.000 0.874 87 R HN 0.416 nan 8.270 nan 0.000 0.451 88 D N 0.456 120.828 120.400 -0.047 0.000 2.194 88 D HA -0.059 4.580 4.640 -0.001 0.000 0.204 88 D C 1.893 178.137 176.300 -0.095 0.000 0.964 88 D CA 0.845 54.810 54.000 -0.059 0.000 0.846 88 D CB 0.080 40.840 40.800 -0.065 0.000 0.962 88 D HN 0.175 nan 8.370 nan 0.000 0.490 89 L N 0.022 121.155 121.223 -0.150 0.000 2.072 89 L HA 0.097 4.437 4.340 -0.001 0.000 0.205 89 L C 1.254 178.080 176.870 -0.073 0.000 1.079 89 L CA 0.797 55.469 54.840 -0.280 0.000 0.752 89 L CB -0.586 41.192 42.059 -0.468 0.000 0.906 89 L HN 0.107 nan 8.230 nan 0.000 0.436 90 G N -1.554 107.257 108.800 0.018 0.000 2.690 90 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.686 90 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.686 90 G C -0.116 174.897 174.900 0.188 0.000 1.277 90 G CA -0.130 45.038 45.100 0.113 0.000 0.799 90 G HN 0.061 nan 8.290 nan 0.000 0.613 91 F N 0.964 120.963 119.950 0.081 0.000 2.095 91 F HA -0.091 4.435 4.527 -0.001 0.000 0.298 91 F C 2.324 178.199 175.800 0.124 0.000 1.104 91 F CA 2.759 60.813 58.000 0.090 0.000 1.232 91 F CB -0.028 39.009 39.000 0.063 0.000 0.987 91 F HN 0.513 nan 8.300 nan 0.000 0.475 92 D N -0.724 119.796 120.400 0.200 0.000 2.104 92 D HA -0.269 4.371 4.640 -0.001 0.000 0.194 92 D C 2.006 178.337 176.300 0.052 0.000 0.994 92 D CA 1.812 55.871 54.000 0.099 0.000 0.830 92 D CB -0.973 39.935 40.800 0.179 0.000 0.959 92 D HN 0.461 nan 8.370 nan 0.000 0.452 93 Y N 1.363 121.672 120.300 0.016 0.000 2.145 93 Y HA -0.174 4.376 4.550 -0.001 0.000 0.286 93 Y C 2.221 178.155 175.900 0.056 0.000 1.145 93 Y CA 1.363 59.499 58.100 0.060 0.000 1.148 93 Y CB -0.405 38.102 38.460 0.078 0.000 0.981 93 Y HN -0.079 nan 8.280 nan 0.000 0.507 94 L N 0.046 121.397 121.223 0.213 0.000 2.017 94 L HA -0.265 4.074 4.340 -0.001 0.000 0.208 94 L C 2.700 179.526 176.870 -0.073 0.000 1.073 94 L CA 1.947 56.840 54.840 0.088 0.000 0.745 94 L CB -0.855 41.208 42.059 0.006 0.000 0.894 94 L HN 0.302 nan 8.230 nan 0.000 0.432 95 Q N -0.259 119.360 119.800 -0.301 0.000 2.061 95 Q HA -0.258 4.082 4.340 -0.001 0.000 0.204 95 Q C 2.414 178.341 176.000 -0.122 0.000 0.984 95 Q CA 2.228 57.838 55.803 -0.322 0.000 0.846 95 Q CB -0.079 28.326 28.738 -0.556 0.000 0.902 95 Q HN 0.398 nan 8.270 nan 0.000 0.421 96 S N -0.662 115.003 115.700 -0.058 0.000 2.356 96 S HA -0.151 4.318 4.470 -0.001 0.000 0.223 96 S C 1.650 176.281 174.600 0.051 0.000 1.032 96 S CA 1.079 59.312 58.200 0.056 0.000 1.005 96 S CB -0.452 62.760 63.200 0.021 0.000 0.867 96 S HN 0.513 nan 8.310 nan 0.000 0.449 97 F N 1.713 121.592 119.950 -0.118 0.000 2.134 97 F HA 0.081 4.608 4.527 -0.001 0.000 0.299 97 F C 1.938 177.751 175.800 0.020 0.000 1.097 97 F CA 1.197 59.155 58.000 -0.072 0.000 1.264 97 F CB -0.318 38.606 39.000 -0.127 0.000 1.001 97 F HN 0.232 nan 8.300 nan 0.000 0.479 98 I N -1.250 119.461 120.570 0.234 0.000 2.394 98 I HA -0.276 3.893 4.170 -0.001 0.000 0.251 98 I C 2.141 178.335 176.117 0.127 0.000 1.136 98 I CA 1.425 62.859 61.300 0.223 0.000 1.425 98 I CB -0.716 37.334 38.000 0.084 0.000 1.079 98 I HN 0.059 nan 8.210 nan 0.000 0.425 99 T N -0.245 114.256 114.554 -0.087 0.000 2.732 99 T HA -0.139 4.210 4.350 -0.001 0.000 0.261 99 T C 1.542 175.952 174.700 -0.484 0.000 1.040 99 T CA 1.600 63.477 62.100 -0.372 0.000 1.145 99 T CB -0.275 68.154 68.868 -0.732 0.000 0.866 99 T HN 0.246 nan 8.240 nan 0.000 0.427 100 Y N 0.931 121.198 120.300 -0.056 0.000 2.509 100 Y HA 0.409 4.959 4.550 -0.001 0.000 0.270 100 Y C 1.838 177.652 175.900 -0.144 0.000 1.103 100 Y CA -0.141 57.891 58.100 -0.114 0.000 1.278 100 Y CB -0.511 37.846 38.460 -0.171 0.000 1.087 100 Y HN 0.420 nan 8.280 nan 0.000 0.542 101 G N 0.813 109.606 108.800 -0.011 0.000 2.645 101 G HA2 -0.071 3.889 3.960 -0.001 0.000 0.246 101 G HA3 -0.071 3.889 3.960 -0.001 0.000 0.246 101 G C -0.185 174.605 174.900 -0.183 0.000 1.322 101 G CA -0.046 45.057 45.100 0.004 0.000 0.898 101 G HN 0.879 nan 8.290 nan 0.000 0.573 102 S N -1.550 114.130 115.700 -0.033 0.000 2.588 102 S HA 0.753 5.223 4.470 -0.001 0.000 0.269 102 S C -2.103 172.504 174.600 0.011 0.000 1.157 102 S CA 0.048 58.216 58.200 -0.054 0.000 0.824 102 S CB 1.857 65.086 63.200 0.048 0.000 1.126 102 S HN 0.598 nan 8.310 nan 0.000 0.464 103 P HA 0.186 nan 4.420 nan 0.000 0.223 103 P C 1.147 178.460 177.300 0.021 0.000 1.151 103 P CA 1.222 64.322 63.100 -0.000 0.000 0.787 103 P CB -0.190 31.504 31.700 -0.009 0.000 0.788 104 A N -0.620 122.233 122.820 0.055 0.000 2.255 104 A HA 0.402 4.722 4.320 -0.001 0.000 0.206 104 A C 1.573 179.190 177.584 0.055 0.000 1.193 104 A CA 0.904 52.977 52.037 0.059 0.000 0.794 104 A CB -1.306 17.749 19.000 0.091 0.000 0.794 104 A HN 0.283 nan 8.150 nan 0.000 0.481 105 G N -2.489 106.341 108.800 0.049 0.000 2.205 105 G HA2 -0.110 3.850 3.960 -0.001 0.000 0.180 105 G HA3 -0.110 3.850 3.960 -0.001 0.000 0.180 105 G C 0.004 174.938 174.900 0.058 0.000 1.004 105 G CA 0.135 45.255 45.100 0.032 0.000 0.670 105 G HN 0.679 nan 8.290 nan 0.000 0.496 106 M N 2.225 121.897 119.600 0.120 0.000 2.061 106 M HA 0.657 5.136 4.480 -0.001 0.000 0.346 106 M C -2.461 173.883 176.300 0.073 0.000 1.112 106 M CA -3.165 52.250 55.300 0.192 0.000 1.021 106 M CB 0.867 33.702 32.600 0.392 0.000 1.530 106 M HN -0.083 nan 8.290 nan 0.000 0.437 107 P HA 0.069 nan 4.420 nan 0.000 0.267 107 P C -0.970 176.084 177.300 -0.411 0.000 1.201 107 P CA 0.157 62.994 63.100 -0.438 0.000 0.775 107 P CB 0.244 31.318 31.700 -1.042 0.000 0.854 108 N N 2.045 120.527 118.700 -0.363 0.000 3.034 108 N HA 0.013 4.753 4.740 -0.001 0.000 0.265 108 N C 0.249 175.627 175.510 -0.219 0.000 1.166 108 N CA -0.399 52.532 53.050 -0.199 0.000 1.081 108 N CB -0.452 37.963 38.487 -0.119 0.000 1.378 108 N HN 0.475 nan 8.380 nan 0.000 0.520 109 W N 1.527 122.803 121.300 -0.040 0.000 2.338 109 W HA -0.031 4.629 4.660 -0.001 0.000 0.304 109 W C 2.231 178.701 176.519 -0.082 0.000 1.212 109 W CA 1.313 58.628 57.345 -0.050 0.000 1.264 109 W CB -0.308 29.128 29.460 -0.040 0.000 1.142 109 W HN 0.516 nan 8.180 nan 0.000 0.512 110 G N -0.479 108.358 108.800 0.063 0.000 2.404 110 G HA2 -0.210 3.750 3.960 -0.001 0.000 0.213 110 G HA3 -0.210 3.750 3.960 -0.001 0.000 0.213 110 G C 1.422 176.271 174.900 -0.084 0.000 1.189 110 G CA 1.660 46.730 45.100 -0.050 0.000 0.796 110 G HN 0.270 nan 8.290 nan 0.000 0.532 111 T N -0.342 114.133 114.554 -0.132 0.000 3.072 111 T HA -0.029 4.321 4.350 -0.001 0.000 0.266 111 T C 2.354 177.025 174.700 -0.048 0.000 1.127 111 T CA 1.594 63.648 62.100 -0.077 0.000 1.107 111 T CB -0.143 68.703 68.868 -0.035 0.000 0.910 111 T HN 0.376 nan 8.240 nan 0.000 0.513 112 S N 0.440 116.105 115.700 -0.058 0.000 2.501 112 S HA 0.410 4.880 4.470 -0.001 0.000 0.220 112 S C 2.037 176.623 174.600 -0.024 0.000 0.997 112 S CA 0.426 58.592 58.200 -0.057 0.000 0.919 112 S CB -0.625 62.509 63.200 -0.110 0.000 0.778 112 S HN 1.150 nan 8.310 nan 0.000 0.523 113 G N 1.275 110.073 108.800 -0.003 0.000 2.179 113 G HA2 -0.265 3.694 3.960 -0.001 0.000 0.260 113 G HA3 -0.265 3.694 3.960 -0.001 0.000 0.260 113 G C 0.733 175.663 174.900 0.051 0.000 0.977 113 G CA 0.423 45.533 45.100 0.017 0.000 0.641 113 G HN 0.454 nan 8.290 nan 0.000 0.533 114 E N -0.345 119.907 120.200 0.087 0.000 2.077 114 E HA 0.029 4.378 4.350 -0.001 0.000 0.193 114 E C 1.466 178.179 176.600 0.187 0.000 0.989 114 E CA 0.817 57.319 56.400 0.169 0.000 0.800 114 E CB 0.044 29.902 29.700 0.262 0.000 0.746 114 E HN 0.625 nan 8.360 nan 0.000 0.452 115 L N 1.331 122.668 121.223 0.189 0.000 2.329 115 L HA 0.194 4.534 4.340 -0.001 0.000 0.279 115 L C 0.609 177.508 176.870 0.049 0.000 1.014 115 L CA -0.721 54.176 54.840 0.095 0.000 0.814 115 L CB 1.826 43.924 42.059 0.066 0.000 1.257 115 L HN -0.034 nan 8.230 nan 0.000 0.424 116 S N 1.558 117.271 115.700 0.021 0.000 2.596 116 S HA 0.240 4.710 4.470 -0.001 0.000 0.260 116 S C 1.191 175.795 174.600 0.006 0.000 1.336 116 S CA 0.033 58.241 58.200 0.012 0.000 0.993 116 S CB 1.357 64.562 63.200 0.008 0.000 0.923 116 S HN 0.716 nan 8.310 nan 0.000 0.567 117 A N 0.817 123.640 122.820 0.005 0.000 1.933 117 A HA -0.081 4.238 4.320 -0.001 0.000 0.218 117 A C 2.209 179.804 177.584 0.019 0.000 1.175 117 A CA 1.404 53.445 52.037 0.005 0.000 0.628 117 A CB -0.904 18.103 19.000 0.011 0.000 0.814 117 A HN 0.866 nan 8.150 nan 0.000 0.444 118 E N 0.037 120.249 120.200 0.020 0.000 2.106 118 E HA -0.205 4.144 4.350 -0.001 0.000 0.192 118 E C 2.147 178.758 176.600 0.018 0.000 0.984 118 E CA 1.379 57.795 56.400 0.027 0.000 0.806 118 E CB -0.425 29.287 29.700 0.021 0.000 0.750 118 E HN 0.801 nan 8.360 nan 0.000 0.458 119 Q N 0.344 120.142 119.800 -0.004 0.000 2.119 119 Q HA -0.076 4.264 4.340 -0.001 0.000 0.201 119 Q C 2.396 178.371 176.000 -0.042 0.000 0.972 119 Q CA 0.939 56.722 55.803 -0.034 0.000 0.847 119 Q CB -0.004 28.703 28.738 -0.052 0.000 0.903 119 Q HN 0.076 nan 8.270 nan 0.000 0.433 120 V N 1.659 121.558 119.914 -0.024 0.000 2.287 120 V HA -0.288 3.832 4.120 -0.001 0.000 0.248 120 V C 1.535 177.623 176.094 -0.010 0.000 1.053 120 V CA 2.127 64.408 62.300 -0.032 0.000 1.027 120 V CB -0.492 31.312 31.823 -0.032 0.000 0.646 120 V HN 0.341 nan 8.190 nan 0.000 0.447 121 D N -0.112 120.321 120.400 0.055 0.000 2.144 121 D HA -0.120 4.519 4.640 -0.001 0.000 0.199 121 D C 2.154 178.566 176.300 0.187 0.000 0.984 121 D CA 1.075 55.185 54.000 0.185 0.000 0.834 121 D CB -0.307 40.643 40.800 0.250 0.000 0.955 121 D HN 0.332 nan 8.370 nan 0.000 0.465 122 L N -0.014 121.264 121.223 0.090 0.000 2.042 122 L HA -0.195 4.145 4.340 -0.001 0.000 0.210 122 L C 2.369 179.272 176.870 0.055 0.000 1.076 122 L CA 0.812 55.691 54.840 0.065 0.000 0.749 122 L CB -0.324 41.731 42.059 -0.007 0.000 0.893 122 L HN 0.081 nan 8.230 nan 0.000 0.432 123 M N -0.620 118.970 119.600 -0.017 0.000 2.132 123 M HA -0.112 4.367 4.480 -0.001 0.000 0.263 123 M C 2.590 178.923 176.300 0.055 0.000 1.065 123 M CA 1.872 57.148 55.300 -0.040 0.000 1.122 123 M CB -1.526 30.987 32.600 -0.145 0.000 1.365 123 M HN 0.258 nan 8.290 nan 0.000 0.411 124 A N 0.940 123.779 122.820 0.033 0.000 1.883 124 A HA -0.191 4.128 4.320 -0.001 0.000 0.217 124 A C 2.114 179.817 177.584 0.199 0.000 1.186 124 A CA 1.870 53.913 52.037 0.011 0.000 0.624 124 A CB -0.801 18.005 19.000 -0.323 0.000 0.822 124 A HN 0.502 nan 8.150 nan 0.000 0.444 125 N N -1.484 117.412 118.700 0.327 0.000 2.120 125 N HA -0.176 4.564 4.740 -0.001 0.000 0.188 125 N C 1.632 177.265 175.510 0.205 0.000 1.024 125 N CA 1.719 54.943 53.050 0.289 0.000 0.852 125 N CB -0.604 38.026 38.487 0.238 0.000 1.003 125 N HN 0.681 nan 8.380 nan 0.000 0.424 126 Y N 1.805 122.131 120.300 0.043 0.000 2.165 126 Y HA -0.089 4.460 4.550 -0.001 0.000 0.286 126 Y C 2.115 177.987 175.900 -0.046 0.000 1.155 126 Y CA 1.349 59.439 58.100 -0.018 0.000 1.164 126 Y CB -0.331 38.026 38.460 -0.170 0.000 0.978 126 Y HN -0.012 nan 8.280 nan 0.000 0.513 127 L N -0.293 120.953 121.223 0.038 0.000 2.376 127 L HA -0.154 4.185 4.340 -0.001 0.000 0.219 127 L C 1.931 178.745 176.870 -0.093 0.000 1.133 127 L CA 0.590 55.376 54.840 -0.089 0.000 0.816 127 L CB -0.339 41.702 42.059 -0.029 0.000 0.933 127 L HN 0.321 nan 8.230 nan 0.000 0.449 128 L N -0.653 120.556 121.223 -0.022 0.000 2.446 128 L HA 0.057 4.396 4.340 -0.001 0.000 0.219 128 L C 0.797 177.637 176.870 -0.049 0.000 1.116 128 L CA 0.085 54.920 54.840 -0.010 0.000 0.844 128 L CB 0.052 42.149 42.059 0.063 0.000 0.970 128 L HN 0.165 nan 8.230 nan 0.000 0.457 129 L N -0.397 120.776 121.223 -0.084 0.000 2.399 129 L HA 0.194 4.534 4.340 -0.001 0.000 0.266 129 L C -0.102 176.673 176.870 -0.159 0.000 1.114 129 L CA -0.700 54.082 54.840 -0.097 0.000 0.804 129 L CB 0.646 42.684 42.059 -0.036 0.000 1.146 129 L HN -0.012 nan 8.230 nan 0.000 0.451 130 D N 2.701 123.021 120.400 -0.133 0.000 2.383 130 D HA 0.151 4.790 4.640 -0.001 0.000 0.252 130 D C -2.155 174.063 176.300 -0.138 0.000 1.166 130 D CA -0.835 53.089 54.000 -0.127 0.000 0.879 130 D CB 0.693 41.437 40.800 -0.094 0.000 1.164 130 D HN 0.231 nan 8.370 nan 0.000 0.462 131 P HA 0.160 nan 4.420 nan 0.000 0.271 131 P C -0.629 176.656 177.300 -0.026 0.000 1.226 131 P CA -0.419 62.615 63.100 -0.109 0.000 0.765 131 P CB 0.641 32.254 31.700 -0.145 0.000 0.835 132 A N 3.769 126.606 122.820 0.028 0.000 2.407 132 A HA 0.505 4.825 4.320 -0.001 0.000 0.248 132 A C 0.665 178.286 177.584 0.062 0.000 1.082 132 A CA -0.291 51.769 52.037 0.038 0.000 0.785 132 A CB -0.132 18.899 19.000 0.052 0.000 1.020 132 A HN 0.654 nan 8.150 nan 0.000 0.489 133 A N 3.723 126.580 122.820 0.060 0.000 2.567 133 A HA 0.471 4.791 4.320 -0.001 0.000 0.240 133 A C -1.840 175.798 177.584 0.091 0.000 1.053 133 A CA -0.665 51.424 52.037 0.086 0.000 0.755 133 A CB -0.844 18.219 19.000 0.104 0.000 0.978 133 A HN 0.682 nan 8.150 nan 0.000 0.507 134 P HA 0.287 nan 4.420 nan 0.000 0.272 134 P C -2.581 174.855 177.300 0.225 0.000 1.223 134 P CA -1.179 61.921 63.100 -0.001 0.000 0.784 134 P CB -0.255 31.215 31.700 -0.383 0.000 0.923 135 P HA 0.129 nan 4.420 nan 0.000 0.276 135 P C -0.095 177.457 177.300 0.420 0.000 1.230 135 P CA 0.121 63.388 63.100 0.278 0.000 0.776 135 P CB 0.830 32.663 31.700 0.223 0.000 0.888 136 E N 1.349 121.709 120.200 0.268 0.000 2.351 136 E HA 0.337 4.686 4.350 -0.001 0.000 0.255 136 E C -0.843 175.886 176.600 0.214 0.000 1.188 136 E CA -0.183 56.323 56.400 0.178 0.000 0.940 136 E CB 0.480 30.227 29.700 0.078 0.000 1.094 136 E HN 0.429 nan 8.360 nan 0.000 0.474 137 F N 0.046 119.975 119.950 -0.035 0.000 3.228 137 F HA 0.344 4.871 4.527 -0.001 0.000 0.390 137 F C 0.144 175.907 175.800 -0.061 0.000 1.235 137 F CA -0.316 57.667 58.000 -0.028 0.000 1.236 137 F CB 0.653 39.642 39.000 -0.019 0.000 1.855 137 F HN 0.429 nan 8.300 nan 0.000 0.647 138 G N 2.041 110.749 108.800 -0.153 0.000 2.606 138 G HA2 0.280 4.240 3.960 -0.001 0.000 0.262 138 G HA3 0.280 4.240 3.960 -0.001 0.000 0.262 138 G C 0.762 175.566 174.900 -0.160 0.000 1.394 138 G CA -0.458 44.571 45.100 -0.119 0.000 1.044 138 G HN 0.524 nan 8.290 nan 0.000 0.553 139 M N -0.199 119.330 119.600 -0.118 0.000 2.108 139 M HA -0.018 4.461 4.480 -0.001 0.000 0.261 139 M C 2.348 178.578 176.300 -0.116 0.000 1.066 139 M CA 2.021 57.257 55.300 -0.107 0.000 1.107 139 M CB -0.434 32.114 32.600 -0.087 0.000 1.356 139 M HN 0.614 nan 8.290 nan 0.000 0.406 140 K N -0.321 120.005 120.400 -0.124 0.000 2.032 140 K HA -0.222 4.098 4.320 -0.001 0.000 0.209 140 K C 1.830 178.328 176.600 -0.169 0.000 1.048 140 K CA 2.090 58.310 56.287 -0.112 0.000 0.927 140 K CB -0.237 32.204 32.500 -0.099 0.000 0.712 140 K HN 0.537 nan 8.250 nan 0.000 0.441 141 E N 0.062 120.060 120.200 -0.336 0.000 2.106 141 E HA -0.140 4.209 4.350 -0.001 0.000 0.192 141 E C 2.121 178.456 176.600 -0.441 0.000 0.984 141 E CA 1.328 57.380 56.400 -0.580 0.000 0.806 141 E CB -0.010 28.944 29.700 -1.243 0.000 0.750 141 E HN 0.370 nan 8.360 nan 0.000 0.458 142 M N 0.083 119.517 119.600 -0.277 0.000 2.099 142 M HA -0.142 4.337 4.480 -0.001 0.000 0.262 142 M C 2.260 178.613 176.300 0.089 0.000 1.067 142 M CA 1.482 56.814 55.300 0.054 0.000 1.124 142 M CB -0.220 32.413 32.600 0.054 0.000 1.353 142 M HN -0.027 nan 8.290 nan 0.000 0.410 143 R N 0.211 120.738 120.500 0.044 0.000 2.120 143 R HA -0.121 4.218 4.340 -0.001 0.000 0.234 143 R C 1.937 178.351 176.300 0.189 0.000 1.123 143 R CA 1.161 57.367 56.100 0.176 0.000 0.975 143 R CB -0.286 30.091 30.300 0.129 0.000 0.866 143 R HN 0.518 nan 8.270 nan 0.000 0.446 144 E N 0.206 120.454 120.200 0.080 0.000 2.106 144 E HA -0.143 4.206 4.350 -0.001 0.000 0.192 144 E C 1.900 178.564 176.600 0.107 0.000 0.984 144 E CA 1.593 58.032 56.400 0.065 0.000 0.806 144 E CB 0.038 29.744 29.700 0.009 0.000 0.750 144 E HN 0.318 nan 8.360 nan 0.000 0.458 145 S N -0.111 115.684 115.700 0.158 0.000 2.527 145 S HA -0.085 4.385 4.470 -0.001 0.000 0.222 145 S C 0.330 175.065 174.600 0.225 0.000 0.985 145 S CA -0.458 57.858 58.200 0.194 0.000 0.921 145 S CB -0.214 63.148 63.200 0.269 0.000 0.772 145 S HN 0.313 nan 8.310 nan 0.000 0.529 146 W N 3.549 124.861 121.300 0.021 0.000 2.419 146 W HA 0.550 5.209 4.660 -0.001 0.000 0.312 146 W C -0.796 175.689 176.519 -0.057 0.000 1.323 146 W CA -1.250 56.089 57.345 -0.010 0.000 1.293 146 W CB 0.113 29.567 29.460 -0.009 0.000 1.324 146 W HN -0.038 nan 8.180 nan 0.000 0.512 147 K N 4.686 124.934 120.400 -0.252 0.000 2.397 147 K HA 0.507 4.826 4.320 -0.001 0.000 0.253 147 K C -1.323 174.864 176.600 -0.690 0.000 0.932 147 K CA -0.909 55.058 56.287 -0.533 0.000 0.795 147 K CB 2.279 34.522 32.500 -0.429 0.000 1.159 147 K HN 0.129 nan 8.250 nan 0.000 0.424 148 V N 4.793 124.280 119.914 -0.712 0.000 2.311 148 V HA 0.124 4.244 4.120 -0.001 0.000 0.275 148 V C 0.612 176.480 176.094 -0.376 0.000 1.022 148 V CA -0.590 61.425 62.300 -0.475 0.000 0.830 148 V CB 0.610 32.209 31.823 -0.374 0.000 1.012 148 V HN 0.839 nan 8.190 nan 0.000 0.452 149 H N 3.100 122.117 119.070 -0.087 0.000 2.403 149 H HA 0.137 4.693 4.556 -0.001 0.000 0.298 149 H C 0.363 175.663 175.328 -0.046 0.000 1.059 149 H CA 1.042 57.054 56.048 -0.059 0.000 1.363 149 H CB 0.677 30.419 29.762 -0.033 0.000 1.410 149 H HN 0.403 nan 8.280 nan 0.000 0.528 150 V N 1.447 121.400 119.914 0.065 0.000 2.380 150 V HA 0.469 4.589 4.120 -0.001 0.000 0.286 150 V C 0.218 176.316 176.094 0.007 0.000 1.015 150 V CA -1.063 61.258 62.300 0.036 0.000 0.834 150 V CB 1.191 33.046 31.823 0.052 0.000 1.009 150 V HN 0.330 nan 8.190 nan 0.000 0.428 151 A N 6.616 129.431 122.820 -0.009 0.000 2.483 151 A HA 0.464 4.783 4.320 -0.001 0.000 0.238 151 A C -1.130 176.461 177.584 0.013 0.000 1.070 151 A CA -0.682 51.348 52.037 -0.012 0.000 0.770 151 A CB 0.005 18.994 19.000 -0.018 0.000 1.008 151 A HN 0.665 nan 8.150 nan 0.000 0.497 152 P HA -0.189 nan 4.420 nan 0.000 0.216 152 P C 0.839 178.165 177.300 0.043 0.000 1.154 152 P CA 1.716 64.837 63.100 0.035 0.000 0.865 152 P CB 0.132 31.846 31.700 0.024 0.000 0.789 153 E N -0.753 119.464 120.200 0.029 0.000 2.204 153 E HA -0.149 4.201 4.350 -0.001 0.000 0.195 153 E C 1.282 177.901 176.600 0.030 0.000 0.990 153 E CA 1.128 57.544 56.400 0.028 0.000 0.821 153 E CB -0.842 28.868 29.700 0.017 0.000 0.750 153 E HN 0.353 nan 8.360 nan 0.000 0.477 154 D N -0.153 120.264 120.400 0.029 0.000 2.339 154 D HA 0.050 4.689 4.640 -0.001 0.000 0.217 154 D C 0.246 176.570 176.300 0.040 0.000 1.050 154 D CA 0.143 54.160 54.000 0.028 0.000 0.856 154 D CB 0.243 41.054 40.800 0.019 0.000 0.922 154 D HN 0.106 nan 8.370 nan 0.000 0.518 155 R N 1.102 121.636 120.500 0.057 0.000 2.546 155 R HA 0.391 4.731 4.340 -0.001 0.000 0.266 155 R C -2.218 174.137 176.300 0.092 0.000 1.086 155 R CA -1.450 54.697 56.100 0.078 0.000 1.160 155 R CB -0.203 30.160 30.300 0.105 0.000 1.138 155 R HN -0.117 nan 8.270 nan 0.000 0.567 156 P HA -0.017 nan 4.420 nan 0.000 0.269 156 P C 0.298 177.728 177.300 0.217 0.000 1.217 156 P CA 0.132 63.314 63.100 0.136 0.000 0.783 156 P CB 0.521 32.309 31.700 0.147 0.000 0.898 157 T N -2.803 111.847 114.554 0.161 0.000 3.054 157 T HA 0.153 4.502 4.350 -0.001 0.000 0.255 157 T C 0.361 175.156 174.700 0.158 0.000 1.035 157 T CA -0.115 62.102 62.100 0.195 0.000 0.941 157 T CB -0.211 68.713 68.868 0.094 0.000 1.026 157 T HN 0.638 nan 8.240 nan 0.000 0.533 158 Q N -0.198 119.570 119.800 -0.054 0.000 2.575 158 Q HA 0.345 4.685 4.340 -0.001 0.000 0.290 158 Q C -1.424 174.109 176.000 -0.778 0.000 0.963 158 Q CA -1.143 54.284 55.803 -0.627 0.000 0.783 158 Q CB 1.073 29.564 28.738 -0.411 0.000 1.467 158 Q HN 0.155 nan 8.270 nan 0.000 0.402 159 Q N 0.502 119.506 119.800 -1.328 0.000 2.274 159 Q HA -0.024 4.316 4.340 -0.001 0.000 0.280 159 Q C -0.173 175.572 176.000 -0.426 0.000 1.047 159 Q CA 0.709 55.945 55.803 -0.946 0.000 0.907 159 Q CB 0.576 28.793 28.738 -0.869 0.000 1.171 159 Q HN 0.717 nan 8.270 nan 0.000 0.381 160 E N 2.454 122.494 120.200 -0.266 0.000 2.473 160 E HA 0.002 4.351 4.350 -0.001 0.000 0.204 160 E C -0.306 176.182 176.600 -0.187 0.000 0.994 160 E CA -0.000 56.289 56.400 -0.185 0.000 0.945 160 E CB 0.399 30.027 29.700 -0.119 0.000 0.990 160 E HN 0.665 nan 8.360 nan 0.000 0.493 161 N N 0.707 119.250 118.700 -0.263 0.000 2.478 161 N HA 0.020 4.759 4.740 -0.001 0.000 0.275 161 N C 0.038 175.450 175.510 -0.162 0.000 1.221 161 N CA -0.474 52.392 53.050 -0.307 0.000 0.979 161 N CB 0.558 38.584 38.487 -0.769 0.000 1.202 161 N HN -0.226 nan 8.380 nan 0.000 0.564 162 D N -2.322 118.081 120.400 0.004 0.000 2.424 162 D HA 0.078 4.718 4.640 -0.001 0.000 0.220 162 D C -0.786 175.666 176.300 0.253 0.000 1.150 162 D CA -0.587 53.474 54.000 0.100 0.000 0.831 162 D CB -0.362 40.498 40.800 0.101 0.000 0.981 162 D HN 0.368 nan 8.370 nan 0.000 0.500 163 W N 1.281 122.580 121.300 -0.002 0.000 2.137 163 W HA 0.287 4.946 4.660 -0.001 0.000 0.344 163 W C 0.766 177.294 176.519 0.015 0.000 1.286 163 W CA -0.997 56.356 57.345 0.015 0.000 1.240 163 W CB 0.003 29.485 29.460 0.036 0.000 1.141 163 W HN -0.095 nan 8.180 nan 0.000 0.579 164 D N 2.511 123.057 120.400 0.243 0.000 2.483 164 D HA 0.112 4.752 4.640 -0.001 0.000 0.220 164 D C 1.157 177.571 176.300 0.190 0.000 1.173 164 D CA 0.077 54.169 54.000 0.154 0.000 0.964 164 D CB 0.146 40.998 40.800 0.087 0.000 1.046 164 D HN 0.303 nan 8.370 nan 0.000 0.517 165 L N 2.090 123.445 121.223 0.219 0.000 2.079 165 L HA -0.142 4.198 4.340 -0.001 0.000 0.210 165 L C 2.066 179.042 176.870 0.178 0.000 1.081 165 L CA 1.033 56.014 54.840 0.235 0.000 0.752 165 L CB -0.189 42.011 42.059 0.235 0.000 0.896 165 L HN 0.390 nan 8.230 nan 0.000 0.433 166 E N -0.222 120.074 120.200 0.161 0.000 2.268 166 E HA -0.190 4.160 4.350 -0.001 0.000 0.195 166 E C 1.184 177.849 176.600 0.110 0.000 0.995 166 E CA 0.730 57.234 56.400 0.174 0.000 0.836 166 E CB -0.051 29.775 29.700 0.210 0.000 0.763 166 E HN 0.332 nan 8.360 nan 0.000 0.491 167 N N 0.299 119.047 118.700 0.081 0.000 2.230 167 N HA 0.034 4.773 4.740 -0.001 0.000 0.202 167 N C -0.391 175.170 175.510 0.086 0.000 1.119 167 N CA -0.137 52.948 53.050 0.058 0.000 0.851 167 N CB 0.295 38.828 38.487 0.077 0.000 0.990 167 N HN -0.013 nan 8.380 nan 0.000 0.497 168 L N 0.523 121.797 121.223 0.084 0.000 2.452 168 L HA 0.358 4.698 4.340 -0.001 0.000 0.267 168 L C -0.813 176.068 176.870 0.019 0.000 1.188 168 L CA 0.202 55.118 54.840 0.127 0.000 0.821 168 L CB 0.206 42.366 42.059 0.168 0.000 1.102 168 L HN -0.082 nan 8.230 nan 0.000 0.470 169 F N 2.105 121.990 119.950 -0.109 0.000 2.482 169 F HA 0.407 4.933 4.527 -0.001 0.000 0.331 169 F C 0.285 176.064 175.800 -0.035 0.000 1.115 169 F CA -0.462 57.427 58.000 -0.185 0.000 0.955 169 F CB 1.890 40.580 39.000 -0.516 0.000 1.136 169 F HN 0.371 nan 8.300 nan 0.000 0.452 170 S N 3.193 118.989 115.700 0.161 0.000 2.420 170 S HA 0.690 5.159 4.470 -0.001 0.000 0.313 170 S C -1.090 173.621 174.600 0.185 0.000 1.079 170 S CA -0.461 57.846 58.200 0.178 0.000 1.104 170 S CB 0.213 63.519 63.200 0.177 0.000 0.969 170 S HN 0.367 nan 8.310 nan 0.000 0.471 171 V N 5.369 125.370 119.914 0.145 0.000 2.417 171 V HA 0.389 4.509 4.120 -0.001 0.000 0.291 171 V C 0.424 176.557 176.094 0.065 0.000 1.024 171 V CA -0.797 61.560 62.300 0.095 0.000 0.861 171 V CB 1.750 33.641 31.823 0.112 0.000 0.985 171 V HN 0.862 nan 8.190 nan 0.000 0.436 172 T N 6.692 121.261 114.554 0.024 0.000 2.834 172 T HA 0.360 4.709 4.350 -0.001 0.000 0.298 172 T C 0.121 174.794 174.700 -0.046 0.000 0.966 172 T CA 0.106 62.197 62.100 -0.016 0.000 1.141 172 T CB 0.076 68.902 68.868 -0.070 0.000 0.905 172 T HN 0.398 nan 8.240 nan 0.000 0.535 173 L N 4.593 125.802 121.223 -0.024 0.000 2.417 173 L HA 0.376 4.716 4.340 -0.001 0.000 0.258 173 L C 1.844 178.686 176.870 -0.047 0.000 1.088 173 L CA -0.634 54.197 54.840 -0.015 0.000 0.975 173 L CB 0.272 42.345 42.059 0.022 0.000 1.341 173 L HN 0.677 nan 8.230 nan 0.000 0.431 174 R N 1.268 121.711 120.500 -0.095 0.000 2.171 174 R HA -0.220 4.119 4.340 -0.001 0.000 0.232 174 R C 0.952 177.129 176.300 -0.205 0.000 1.116 174 R CA 2.582 58.586 56.100 -0.161 0.000 0.901 174 R CB 0.144 30.349 30.300 -0.159 0.000 0.850 174 R HN 0.571 nan 8.270 nan 0.000 0.431 175 D N -0.565 119.809 120.400 -0.043 0.000 2.350 175 D HA -0.042 4.597 4.640 -0.001 0.000 0.216 175 D C 1.193 177.601 176.300 0.180 0.000 0.968 175 D CA 1.094 55.142 54.000 0.080 0.000 0.894 175 D CB 0.083 41.005 40.800 0.203 0.000 0.909 175 D HN 0.440 nan 8.370 nan 0.000 0.520 176 A N -0.165 122.712 122.820 0.095 0.000 2.178 176 A HA 0.418 4.738 4.320 -0.001 0.000 0.211 176 A C 1.749 179.405 177.584 0.121 0.000 1.157 176 A CA 0.726 52.833 52.037 0.118 0.000 0.780 176 A CB -0.299 18.749 19.000 0.080 0.000 0.828 176 A HN 0.196 nan 8.150 nan 0.000 0.476 177 G N -0.646 108.190 108.800 0.060 0.000 2.295 177 G HA2 -0.222 3.737 3.960 -0.001 0.000 0.287 177 G HA3 -0.222 3.737 3.960 -0.001 0.000 0.287 177 G C -0.151 174.786 174.900 0.062 0.000 1.055 177 G CA 0.680 45.825 45.100 0.076 0.000 0.922 177 G HN 0.681 nan 8.290 nan 0.000 0.503 178 Q N -1.356 118.465 119.800 0.035 0.000 2.615 178 Q HA 0.799 5.139 4.340 -0.001 0.000 0.298 178 Q C 0.201 176.223 176.000 0.036 0.000 1.023 178 Q CA -0.929 54.901 55.803 0.045 0.000 0.768 178 Q CB 2.243 31.012 28.738 0.053 0.000 1.500 178 Q HN 0.740 nan 8.270 nan 0.000 0.441 179 I N -2.494 118.108 120.570 0.053 0.000 2.828 179 I HA 0.961 5.130 4.170 -0.001 0.000 0.302 179 I C -1.273 174.890 176.117 0.077 0.000 1.101 179 I CA -1.217 60.121 61.300 0.064 0.000 1.031 179 I CB 2.186 40.233 38.000 0.078 0.000 1.231 179 I HN 0.572 nan 8.210 nan 0.000 0.427 180 A N 5.797 128.668 122.820 0.086 0.000 2.318 180 A HA 0.795 5.114 4.320 -0.001 0.000 0.324 180 A C -0.802 176.849 177.584 0.112 0.000 1.170 180 A CA -0.662 51.429 52.037 0.092 0.000 0.810 180 A CB 1.150 20.201 19.000 0.085 0.000 1.198 180 A HN 0.749 nan 8.150 nan 0.000 0.484 181 L N 3.724 125.008 121.223 0.102 0.000 2.262 181 L HA 0.474 4.814 4.340 -0.001 0.000 0.288 181 L C -0.758 176.128 176.870 0.026 0.000 1.035 181 L CA -0.022 54.880 54.840 0.102 0.000 0.820 181 L CB 0.658 42.812 42.059 0.159 0.000 1.204 181 L HN 0.557 nan 8.230 nan 0.000 0.424 182 I N 2.174 122.806 120.570 0.103 0.000 2.433 182 I HA 0.233 4.403 4.170 -0.001 0.000 0.292 182 I C -0.029 176.174 176.117 0.144 0.000 1.001 182 I CA -0.672 60.704 61.300 0.127 0.000 1.119 182 I CB 2.204 40.379 38.000 0.291 0.000 1.289 182 I HN 0.527 nan 8.210 nan 0.000 0.438 183 D N 4.653 125.067 120.400 0.025 0.000 2.417 183 D HA 0.025 4.664 4.640 -0.001 0.000 0.250 183 D C 1.142 177.526 176.300 0.139 0.000 1.166 183 D CA 0.254 54.255 54.000 0.002 0.000 0.881 183 D CB 1.907 42.622 40.800 -0.142 0.000 1.164 183 D HN 0.819 nan 8.370 nan 0.000 0.467 184 G N 2.820 111.750 108.800 0.217 0.000 2.534 184 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.217 184 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.217 184 G C 1.081 176.045 174.900 0.107 0.000 1.128 184 G CA 0.844 46.159 45.100 0.358 0.000 0.784 184 G HN 0.567 nan 8.290 nan 0.000 0.542 185 A N 0.104 122.831 122.820 -0.155 0.000 2.013 185 A HA 0.230 4.549 4.320 -0.001 0.000 0.204 185 A C 2.390 179.495 177.584 -0.799 0.000 1.262 185 A CA 1.729 53.547 52.037 -0.365 0.000 0.800 185 A CB -0.223 18.675 19.000 -0.169 0.000 0.909 185 A HN 0.370 nan 8.150 nan 0.000 0.472 186 T N -5.559 108.628 114.554 -0.612 0.000 3.044 186 T HA 0.125 4.474 4.350 -0.001 0.000 0.250 186 T C 0.571 174.908 174.700 -0.606 0.000 1.081 186 T CA 0.899 62.655 62.100 -0.573 0.000 1.040 186 T CB -0.512 68.193 68.868 -0.271 0.000 0.962 186 T HN 0.736 nan 8.240 nan 0.000 0.506 187 Y N 0.120 120.339 120.300 -0.135 0.000 4.668 187 Y HA -0.183 4.366 4.550 -0.001 0.000 0.234 187 Y C 0.282 176.127 175.900 -0.091 0.000 1.056 187 Y CA 0.023 58.023 58.100 -0.167 0.000 2.025 187 Y CB -2.794 35.401 38.460 -0.442 0.000 1.613 187 Y HN 0.565 nan 8.280 nan 0.000 0.653 188 E N 1.402 121.583 120.200 -0.032 0.000 2.289 188 E HA 0.394 4.743 4.350 -0.001 0.000 0.278 188 E C 0.037 176.611 176.600 -0.044 0.000 1.032 188 E CA -0.488 55.887 56.400 -0.042 0.000 0.854 188 E CB 0.464 30.102 29.700 -0.104 0.000 1.046 188 E HN 0.344 nan 8.360 nan 0.000 0.409 189 I N 6.393 126.954 120.570 -0.014 0.000 2.483 189 I HA -0.064 4.106 4.170 -0.001 0.000 0.291 189 I C 1.319 177.387 176.117 -0.080 0.000 1.112 189 I CA -0.173 61.117 61.300 -0.016 0.000 1.350 189 I CB 0.398 38.409 38.000 0.019 0.000 1.419 189 I HN 0.445 nan 8.210 nan 0.000 0.523 190 K N 3.848 124.136 120.400 -0.187 0.000 2.103 190 K HA 0.016 4.335 4.320 -0.001 0.000 0.204 190 K C 0.573 177.128 176.600 -0.075 0.000 1.052 190 K CA 0.664 56.756 56.287 -0.326 0.000 0.945 190 K CB -0.078 31.831 32.500 -0.986 0.000 0.722 190 K HN 0.755 nan 8.250 nan 0.000 0.443 191 S N -1.453 114.250 115.700 0.005 0.000 2.565 191 S HA 0.424 4.894 4.470 -0.001 0.000 0.274 191 S C -0.984 173.670 174.600 0.090 0.000 1.144 191 S CA -1.107 57.156 58.200 0.105 0.000 0.849 191 S CB 1.907 65.246 63.200 0.232 0.000 1.103 191 S HN -0.196 nan 8.310 nan 0.000 0.455 192 V N 2.376 122.341 119.914 0.085 0.000 2.407 192 V HA 0.509 4.629 4.120 -0.001 0.000 0.291 192 V C -0.700 175.440 176.094 0.078 0.000 1.018 192 V CA -0.499 61.847 62.300 0.076 0.000 0.842 192 V CB 1.093 32.953 31.823 0.061 0.000 0.996 192 V HN 0.843 nan 8.190 nan 0.000 0.426 193 L N 3.816 125.086 121.223 0.079 0.000 2.325 193 L HA 0.597 4.937 4.340 -0.001 0.000 0.278 193 L C -0.148 176.759 176.870 0.060 0.000 1.023 193 L CA -0.650 54.232 54.840 0.070 0.000 0.811 193 L CB 1.824 43.930 42.059 0.079 0.000 1.249 193 L HN 0.523 nan 8.230 nan 0.000 0.431 194 D N 1.812 122.244 120.400 0.052 0.000 2.277 194 D HA 0.322 4.961 4.640 -0.001 0.000 0.249 194 D C 0.037 176.371 176.300 0.056 0.000 1.134 194 D CA 0.225 54.257 54.000 0.054 0.000 0.863 194 D CB 1.969 42.798 40.800 0.048 0.000 1.143 194 D HN 0.647 nan 8.370 nan 0.000 0.458 195 T N -1.521 113.072 114.554 0.065 0.000 2.645 195 T HA 0.597 4.947 4.350 -0.001 0.000 0.273 195 T C 0.633 175.383 174.700 0.084 0.000 0.960 195 T CA -0.948 61.192 62.100 0.068 0.000 1.051 195 T CB 0.937 69.839 68.868 0.057 0.000 1.366 195 T HN 0.216 nan 8.240 nan 0.000 0.536 196 G N -0.825 108.025 108.800 0.084 0.000 2.667 196 G HA2 0.384 4.343 3.960 -0.001 0.000 0.250 196 G HA3 0.384 4.343 3.960 -0.001 0.000 0.250 196 G C -0.912 174.064 174.900 0.127 0.000 1.212 196 G CA -0.646 44.519 45.100 0.108 0.000 0.874 196 G HN 0.754 nan 8.290 nan 0.000 0.561 197 Y N 0.858 121.187 120.300 0.049 0.000 2.511 197 Y HA 0.299 4.848 4.550 -0.001 0.000 0.332 197 Y C 0.937 176.876 175.900 0.064 0.000 1.177 197 Y CA 0.499 58.633 58.100 0.056 0.000 1.422 197 Y CB 0.473 38.966 38.460 0.056 0.000 1.271 197 Y HN 1.253 nan 8.280 nan 0.000 0.550 198 A N 3.937 126.315 122.820 -0.737 0.000 2.466 198 A HA -0.191 4.128 4.320 -0.001 0.000 0.295 198 A C 0.009 177.501 177.584 -0.154 0.000 1.465 198 A CA 0.553 52.279 52.037 -0.518 0.000 0.744 198 A CB -2.564 16.071 19.000 -0.609 0.000 1.098 198 A HN 0.684 nan 8.150 nan 0.000 0.402 199 V N 1.304 121.160 119.914 -0.097 0.000 2.752 199 V HA -0.085 4.034 4.120 -0.001 0.000 0.306 199 V C 1.742 177.834 176.094 -0.004 0.000 1.099 199 V CA 1.678 63.969 62.300 -0.015 0.000 1.240 199 V CB 0.547 32.368 31.823 -0.004 0.000 0.887 199 V HN 0.843 nan 8.190 nan 0.000 0.499 200 H N 4.225 123.271 119.070 -0.039 0.000 2.418 200 H HA 0.333 4.889 4.556 -0.001 0.000 0.300 200 H C 0.348 175.688 175.328 0.021 0.000 1.041 200 H CA 1.209 57.246 56.048 -0.018 0.000 1.364 200 H CB 0.553 30.294 29.762 -0.035 0.000 1.439 200 H HN 0.580 nan 8.280 nan 0.000 0.540 201 I N -2.293 118.299 120.570 0.036 0.000 3.102 201 I HA 0.483 4.653 4.170 -0.001 0.000 0.310 201 I C -1.172 174.810 176.117 -0.226 0.000 1.246 201 I CA -0.901 60.315 61.300 -0.140 0.000 0.979 201 I CB 1.903 39.697 38.000 -0.342 0.000 1.267 201 I HN -0.139 nan 8.210 nan 0.000 0.451 202 S N 3.502 118.884 115.700 -0.531 0.000 2.472 202 S HA 0.794 5.263 4.470 -0.001 0.000 0.303 202 S C -0.390 173.926 174.600 -0.473 0.000 1.099 202 S CA -0.749 57.263 58.200 -0.313 0.000 1.077 202 S CB 1.497 64.671 63.200 -0.043 0.000 1.031 202 S HN 0.501 nan 8.310 nan 0.000 0.487 203 R N 1.663 122.065 120.500 -0.163 0.000 2.795 203 R HA 0.550 4.890 4.340 -0.001 0.000 0.275 203 R C -1.479 174.875 176.300 0.090 0.000 0.981 203 R CA -0.825 55.214 56.100 -0.101 0.000 0.917 203 R CB 1.277 31.504 30.300 -0.121 0.000 1.202 203 R HN 0.411 nan 8.270 nan 0.000 0.469 204 L N 1.345 122.617 121.223 0.081 0.000 2.346 204 L HA 0.373 4.712 4.340 -0.001 0.000 0.274 204 L C 0.868 177.834 176.870 0.159 0.000 1.007 204 L CA -0.416 54.513 54.840 0.148 0.000 0.818 204 L CB 1.875 43.981 42.059 0.078 0.000 1.284 204 L HN 0.817 nan 8.230 nan 0.000 0.424 205 S N 1.383 117.238 115.700 0.258 0.000 2.580 205 S HA 0.195 4.664 4.470 -0.001 0.000 0.266 205 S C 1.281 175.931 174.600 0.083 0.000 1.354 205 S CA 0.182 58.499 58.200 0.195 0.000 1.008 205 S CB 0.923 64.309 63.200 0.310 0.000 0.898 205 S HN 0.719 nan 8.310 nan 0.000 0.555 206 A N 1.469 124.318 122.820 0.048 0.000 2.019 206 A HA -0.015 4.304 4.320 -0.001 0.000 0.219 206 A C 2.376 179.973 177.584 0.021 0.000 1.164 206 A CA 1.635 53.684 52.037 0.021 0.000 0.644 206 A CB -1.357 17.651 19.000 0.013 0.000 0.805 206 A HN 1.338 nan 8.150 nan 0.000 0.449 207 S N -2.247 113.465 115.700 0.019 0.000 2.496 207 S HA 0.351 4.821 4.470 -0.001 0.000 0.224 207 S C 1.529 176.137 174.600 0.014 0.000 0.996 207 S CA 1.118 59.324 58.200 0.009 0.000 0.927 207 S CB -0.243 62.931 63.200 -0.043 0.000 0.774 207 S HN 1.872 nan 8.310 nan 0.000 0.524 208 G N 1.799 110.602 108.800 0.005 0.000 2.179 208 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.260 208 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.260 208 G C 0.828 175.696 174.900 -0.053 0.000 0.977 208 G CA 0.472 45.585 45.100 0.022 0.000 0.641 208 G HN 0.599 nan 8.290 nan 0.000 0.533 209 R N -0.916 119.429 120.500 -0.259 0.000 2.062 209 R HA 0.179 4.519 4.340 -0.001 0.000 0.226 209 R C 0.317 176.256 176.300 -0.601 0.000 1.125 209 R CA 0.803 56.497 56.100 -0.677 0.000 0.966 209 R CB -0.011 29.451 30.300 -1.397 0.000 0.861 209 R HN 0.346 nan 8.270 nan 0.000 0.433 210 Y N 0.635 120.823 120.300 -0.188 0.000 2.330 210 Y HA 0.321 4.870 4.550 -0.001 0.000 0.336 210 Y C -0.473 175.326 175.900 -0.167 0.000 1.036 210 Y CA -1.229 56.733 58.100 -0.230 0.000 1.125 210 Y CB 1.584 39.893 38.460 -0.251 0.000 1.194 210 Y HN 0.014 nan 8.280 nan 0.000 0.469 211 L N 4.930 126.098 121.223 -0.092 0.000 2.287 211 L HA 0.610 4.949 4.340 -0.001 0.000 0.287 211 L C -1.755 174.976 176.870 -0.233 0.000 1.022 211 L CA -0.591 54.220 54.840 -0.049 0.000 0.814 211 L CB -0.072 41.992 42.059 0.008 0.000 1.217 211 L HN 0.355 nan 8.230 nan 0.000 0.420 212 F N 5.158 125.114 119.950 0.011 0.000 2.458 212 F HA 0.691 5.218 4.527 -0.001 0.000 0.336 212 F C 0.085 175.862 175.800 -0.039 0.000 1.114 212 F CA -0.668 57.323 58.000 -0.016 0.000 0.987 212 F CB 2.006 40.978 39.000 -0.047 0.000 1.130 212 F HN 0.405 nan 8.300 nan 0.000 0.458 213 V N 2.220 122.209 119.914 0.125 0.000 2.876 213 V HA 0.710 4.829 4.120 -0.001 0.000 0.312 213 V C -1.168 174.963 176.094 0.061 0.000 1.085 213 V CA -0.912 61.426 62.300 0.064 0.000 0.945 213 V CB 2.108 33.959 31.823 0.047 0.000 1.017 213 V HN 0.778 nan 8.190 nan 0.000 0.428 214 I N 2.750 123.338 120.570 0.031 0.000 2.478 214 I HA 0.800 4.970 4.170 -0.001 0.000 0.287 214 I C 0.634 176.767 176.117 0.026 0.000 1.042 214 I CA -0.288 61.024 61.300 0.020 0.000 1.067 214 I CB 1.408 39.400 38.000 -0.014 0.000 1.233 214 I HN 1.043 nan 8.210 nan 0.000 0.431 215 G N 5.653 114.471 108.800 0.030 0.000 2.572 215 G HA2 0.190 4.150 3.960 -0.001 0.000 0.261 215 G HA3 0.190 4.150 3.960 -0.001 0.000 0.261 215 G C 0.764 175.679 174.900 0.026 0.000 1.197 215 G CA -0.632 44.491 45.100 0.040 0.000 0.870 215 G HN 0.861 nan 8.290 nan 0.000 0.548 216 R N -0.420 120.111 120.500 0.051 0.000 2.237 216 R HA -0.046 4.293 4.340 -0.001 0.000 0.219 216 R C 0.635 176.951 176.300 0.026 0.000 1.080 216 R CA 1.488 57.599 56.100 0.018 0.000 0.995 216 R CB -0.025 30.319 30.300 0.074 0.000 0.875 216 R HN 0.517 nan 8.270 nan 0.000 0.462 217 D N -0.219 120.220 120.400 0.064 0.000 2.325 217 D HA 0.087 4.727 4.640 -0.001 0.000 0.225 217 D C 0.946 177.227 176.300 -0.032 0.000 1.096 217 D CA 0.447 54.469 54.000 0.037 0.000 0.844 217 D CB 0.402 41.246 40.800 0.073 0.000 0.925 217 D HN 0.404 nan 8.370 nan 0.000 0.513 218 G N 0.850 109.621 108.800 -0.048 0.000 2.175 218 G HA2 -0.301 3.658 3.960 -0.001 0.000 0.244 218 G HA3 -0.301 3.658 3.960 -0.001 0.000 0.244 218 G C 0.167 175.029 174.900 -0.065 0.000 0.982 218 G CA 0.129 45.172 45.100 -0.096 0.000 0.641 218 G HN 0.555 nan 8.290 nan 0.000 0.527 219 K N 0.786 121.180 120.400 -0.009 0.000 2.297 219 K HA 0.562 4.882 4.320 -0.001 0.000 0.286 219 K C -0.027 176.599 176.600 0.043 0.000 1.053 219 K CA -0.461 55.844 56.287 0.029 0.000 0.940 219 K CB 0.942 33.478 32.500 0.060 0.000 1.019 219 K HN 0.022 nan 8.250 nan 0.000 0.475 220 V N 4.846 124.797 119.914 0.061 0.000 2.483 220 V HA 0.300 4.420 4.120 -0.001 0.000 0.295 220 V C -0.277 175.878 176.094 0.101 0.000 1.035 220 V CA -0.857 61.491 62.300 0.080 0.000 0.896 220 V CB 1.597 33.473 31.823 0.088 0.000 0.986 220 V HN 0.862 nan 8.190 nan 0.000 0.447 221 N N 4.315 123.069 118.700 0.090 0.000 2.284 221 N HA 0.561 5.301 4.740 -0.001 0.000 0.300 221 N C -1.029 174.480 175.510 -0.002 0.000 1.047 221 N CA -0.610 52.480 53.050 0.067 0.000 0.821 221 N CB 2.600 41.123 38.487 0.059 0.000 1.337 221 N HN 0.608 nan 8.380 nan 0.000 0.482 222 M N 3.543 123.097 119.600 -0.078 0.000 2.227 222 M HA 0.496 4.975 4.480 -0.001 0.000 0.335 222 M C -1.689 174.493 176.300 -0.197 0.000 1.053 222 M CA -0.506 54.586 55.300 -0.347 0.000 0.973 222 M CB 0.904 33.262 32.600 -0.404 0.000 1.623 222 M HN 0.474 nan 8.290 nan 0.000 0.434 223 I N 3.759 124.216 120.570 -0.189 0.000 2.433 223 I HA 0.279 4.448 4.170 -0.001 0.000 0.292 223 I C -0.750 175.381 176.117 0.023 0.000 1.001 223 I CA -0.648 60.627 61.300 -0.043 0.000 1.119 223 I CB 1.850 39.843 38.000 -0.011 0.000 1.289 223 I HN 0.588 nan 8.210 nan 0.000 0.438 224 D N 6.539 126.977 120.400 0.063 0.000 2.347 224 D HA 0.232 4.871 4.640 -0.001 0.000 0.235 224 D C 0.643 176.906 176.300 -0.062 0.000 1.149 224 D CA -0.052 53.962 54.000 0.025 0.000 0.850 224 D CB 1.164 42.024 40.800 0.100 0.000 1.061 224 D HN 0.437 nan 8.370 nan 0.000 0.487 225 L N 2.889 124.039 121.223 -0.121 0.000 2.610 225 L HA 0.031 4.370 4.340 -0.001 0.000 0.232 225 L C 1.102 178.011 176.870 0.064 0.000 1.149 225 L CA 0.040 54.860 54.840 -0.034 0.000 0.872 225 L CB 0.017 42.097 42.059 0.035 0.000 0.992 225 L HN 0.486 nan 8.230 nan 0.000 0.447 226 W N -0.316 120.845 121.300 -0.232 0.000 3.003 226 W HA 0.175 4.834 4.660 -0.001 0.000 0.257 226 W C 1.034 177.423 176.519 -0.217 0.000 1.308 226 W CA -0.870 56.343 57.345 -0.219 0.000 1.529 226 W CB -0.388 28.957 29.460 -0.192 0.000 1.115 226 W HN 0.020 nan 8.180 nan 0.000 0.659 227 M N 0.593 120.192 119.600 -0.001 0.000 2.232 227 M HA -0.011 4.468 4.480 -0.001 0.000 0.321 227 M C 1.721 177.911 176.300 -0.183 0.000 1.101 227 M CA 0.509 55.772 55.300 -0.062 0.000 1.181 227 M CB 0.717 33.288 32.600 -0.048 0.000 1.432 227 M HN -0.182 nan 8.290 nan 0.000 0.457 228 K N 0.886 121.201 120.400 -0.142 0.000 2.103 228 K HA -0.125 4.194 4.320 -0.001 0.000 0.207 228 K C -0.145 176.339 176.600 -0.194 0.000 1.048 228 K CA 1.373 57.559 56.287 -0.168 0.000 0.930 228 K CB 0.065 32.516 32.500 -0.083 0.000 0.716 228 K HN 0.585 nan 8.250 nan 0.000 0.444 229 E N 0.797 120.922 120.200 -0.125 0.000 2.593 229 E HA 0.203 4.552 4.350 -0.001 0.000 0.232 229 E C -2.647 173.913 176.600 -0.066 0.000 1.026 229 E CA -2.087 54.275 56.400 -0.063 0.000 0.772 229 E CB 1.560 31.270 29.700 0.016 0.000 1.310 229 E HN -0.031 nan 8.360 nan 0.000 0.413 230 P HA -0.073 nan 4.420 nan 0.000 0.264 230 P C -0.308 177.007 177.300 0.025 0.000 1.183 230 P CA 0.468 63.530 63.100 -0.063 0.000 0.763 230 P CB 0.877 32.534 31.700 -0.071 0.000 0.807 231 T N 1.113 115.679 114.554 0.020 0.000 2.671 231 T HA 0.331 4.681 4.350 -0.001 0.000 0.300 231 T C -0.903 173.813 174.700 0.026 0.000 1.238 231 T CA -0.476 61.639 62.100 0.026 0.000 1.020 231 T CB 0.595 69.468 68.868 0.008 0.000 1.503 231 T HN 0.123 nan 8.240 nan 0.000 0.497 232 T N 2.034 116.601 114.554 0.022 0.000 2.853 232 T HA 0.290 4.640 4.350 -0.001 0.000 0.298 232 T C 1.565 176.328 174.700 0.107 0.000 0.978 232 T CA 0.268 62.400 62.100 0.054 0.000 1.152 232 T CB 0.615 69.524 68.868 0.067 0.000 0.914 232 T HN 0.609 nan 8.240 nan 0.000 0.539 233 V N 0.776 120.750 119.914 0.100 0.000 3.565 233 V HA 0.732 4.852 4.120 -0.001 0.000 0.260 233 V C 0.573 176.719 176.094 0.088 0.000 1.231 233 V CA 0.343 62.708 62.300 0.107 0.000 1.100 233 V CB -0.539 31.317 31.823 0.054 0.000 0.807 233 V HN 0.920 nan 8.190 nan 0.000 0.454 234 A N 0.828 123.695 122.820 0.077 0.000 2.604 234 A HA 0.792 5.112 4.320 -0.001 0.000 0.295 234 A C -0.974 176.665 177.584 0.092 0.000 1.067 234 A CA -0.219 51.830 52.037 0.021 0.000 0.683 234 A CB 1.542 20.578 19.000 0.059 0.000 1.281 234 A HN 0.668 nan 8.150 nan 0.000 0.407 235 E N 0.686 120.949 120.200 0.103 0.000 2.390 235 E HA 0.845 5.194 4.350 -0.001 0.000 0.277 235 E C -1.416 175.316 176.600 0.221 0.000 0.939 235 E CA -0.724 55.769 56.400 0.155 0.000 0.769 235 E CB 2.163 31.965 29.700 0.170 0.000 1.251 235 E HN 0.925 nan 8.360 nan 0.000 0.450 236 I N 0.170 120.855 120.570 0.191 0.000 2.947 236 I HA 0.363 4.533 4.170 -0.001 0.000 0.301 236 I C -2.002 174.201 176.117 0.143 0.000 1.453 236 I CA -0.789 60.633 61.300 0.204 0.000 0.984 236 I CB 2.296 40.406 38.000 0.183 0.000 1.333 236 I HN 0.654 nan 8.210 nan 0.000 0.475 237 K N 5.017 125.520 120.400 0.172 0.000 2.182 237 K HA 0.521 4.841 4.320 -0.001 0.000 0.262 237 K C -0.053 176.602 176.600 0.092 0.000 0.957 237 K CA -0.484 55.855 56.287 0.088 0.000 0.842 237 K CB 1.339 33.904 32.500 0.107 0.000 1.099 237 K HN 0.583 nan 8.250 nan 0.000 0.438 238 I N -0.265 120.246 120.570 -0.099 0.000 4.154 238 I HA 0.482 4.652 4.170 -0.001 0.000 0.334 238 I C 0.291 176.285 176.117 -0.205 0.000 1.371 238 I CA -0.225 61.048 61.300 -0.045 0.000 1.110 238 I CB 1.197 39.174 38.000 -0.037 0.000 1.085 238 I HN 0.658 nan 8.210 nan 0.000 0.398 239 G N -0.109 108.326 108.800 -0.609 0.000 2.323 239 G HA2 0.283 4.242 3.960 -0.001 0.000 0.291 239 G HA3 0.283 4.242 3.960 -0.001 0.000 0.291 239 G C -0.354 174.240 174.900 -0.511 0.000 1.278 239 G CA 0.115 44.883 45.100 -0.552 0.000 0.860 239 G HN -0.166 nan 8.290 nan 0.000 0.504 240 S N -0.824 114.776 115.700 -0.167 0.000 2.483 240 S HA 0.328 4.798 4.470 -0.001 0.000 0.221 240 S C 0.358 174.972 174.600 0.023 0.000 1.030 240 S CA 1.087 59.264 58.200 -0.038 0.000 0.925 240 S CB 0.405 63.703 63.200 0.163 0.000 0.795 240 S HN 0.620 nan 8.310 nan 0.000 0.511 241 E N 0.050 120.290 120.200 0.067 0.000 2.291 241 E HA 0.682 5.031 4.350 -0.001 0.000 0.276 241 E C -1.274 175.315 176.600 -0.019 0.000 0.896 241 E CA -0.276 56.166 56.400 0.069 0.000 0.774 241 E CB 1.635 31.459 29.700 0.206 0.000 1.227 241 E HN 0.186 nan 8.360 nan 0.000 0.413 242 A N 3.700 126.423 122.820 -0.162 0.000 2.606 242 A HA 0.779 5.099 4.320 -0.001 0.000 0.293 242 A C -0.473 176.873 177.584 -0.396 0.000 1.082 242 A CA -0.621 51.266 52.037 -0.250 0.000 0.685 242 A CB 1.520 20.436 19.000 -0.139 0.000 1.284 242 A HN 0.500 nan 8.150 nan 0.000 0.408 243 R N -0.293 119.951 120.500 -0.426 0.000 2.635 243 R HA 0.196 4.535 4.340 -0.001 0.000 0.241 243 R C 0.163 176.345 176.300 -0.196 0.000 0.941 243 R CA 1.057 56.895 56.100 -0.436 0.000 1.014 243 R CB 0.337 30.238 30.300 -0.664 0.000 1.517 243 R HN 0.905 nan 8.270 nan 0.000 0.594 244 S N 0.162 115.767 115.700 -0.158 0.000 2.536 244 S HA 0.778 5.248 4.470 -0.001 0.000 0.298 244 S C -0.337 174.177 174.600 -0.144 0.000 1.083 244 S CA -0.711 57.414 58.200 -0.125 0.000 0.995 244 S CB 2.429 65.557 63.200 -0.120 0.000 1.058 244 S HN 0.156 nan 8.310 nan 0.000 0.488 245 I N 0.693 121.164 120.570 -0.164 0.000 2.827 245 I HA 0.775 4.944 4.170 -0.001 0.000 0.298 245 I C -1.783 174.183 176.117 -0.252 0.000 1.235 245 I CA -0.244 60.929 61.300 -0.212 0.000 1.021 245 I CB 2.225 40.137 38.000 -0.148 0.000 1.259 245 I HN 0.907 nan 8.210 nan 0.000 0.427 246 E N 3.004 122.992 120.200 -0.354 0.000 2.423 246 E HA 0.595 4.944 4.350 -0.001 0.000 0.280 246 E C -1.545 174.833 176.600 -0.370 0.000 1.030 246 E CA -0.430 55.786 56.400 -0.306 0.000 0.812 246 E CB 1.999 31.555 29.700 -0.241 0.000 1.313 246 E HN 0.618 nan 8.360 nan 0.000 0.456 247 T N -0.903 113.541 114.554 -0.183 0.000 2.932 247 T HA 0.655 5.004 4.350 -0.001 0.000 0.289 247 T C -0.262 174.517 174.700 0.131 0.000 1.039 247 T CA -0.553 61.474 62.100 -0.122 0.000 1.024 247 T CB 1.131 69.908 68.868 -0.152 0.000 1.090 247 T HN 0.554 nan 8.240 nan 0.000 0.496 248 S N 1.042 116.789 115.700 0.078 0.000 2.498 248 S HA 0.282 4.752 4.470 -0.001 0.000 0.281 248 S C 0.270 174.831 174.600 -0.065 0.000 1.265 248 S CA -0.700 57.419 58.200 -0.135 0.000 1.071 248 S CB 0.330 63.286 63.200 -0.406 0.000 0.894 248 S HN 0.827 nan 8.310 nan 0.000 0.491 249 K N 1.059 121.383 120.400 -0.126 0.000 2.447 249 K HA 0.213 4.532 4.320 -0.001 0.000 0.205 249 K C -0.072 176.383 176.600 -0.242 0.000 1.059 249 K CA -0.353 55.797 56.287 -0.228 0.000 1.065 249 K CB 0.397 32.617 32.500 -0.468 0.000 0.885 249 K HN 0.631 nan 8.250 nan 0.000 0.545 250 M N 2.489 122.045 119.600 -0.073 0.000 2.219 250 M HA 0.045 4.524 4.480 -0.001 0.000 0.353 250 M C 0.022 176.413 176.300 0.152 0.000 1.304 250 M CA 0.019 55.324 55.300 0.008 0.000 1.115 250 M CB 0.521 33.110 32.600 -0.018 0.000 1.664 250 M HN 0.027 nan 8.290 nan 0.000 0.459 251 E N 3.381 123.640 120.200 0.099 0.000 2.529 251 E HA 0.239 4.588 4.350 -0.001 0.000 0.259 251 E C 0.889 177.572 176.600 0.137 0.000 0.966 251 E CA 1.329 57.785 56.400 0.092 0.000 0.937 251 E CB 0.038 29.766 29.700 0.047 0.000 0.923 251 E HN 0.979 nan 8.360 nan 0.000 0.468 252 G N 3.793 112.616 108.800 0.039 0.000 2.234 252 G HA2 -0.257 3.702 3.960 -0.001 0.000 0.235 252 G HA3 -0.257 3.702 3.960 -0.001 0.000 0.235 252 G C 0.078 174.782 174.900 -0.326 0.000 0.997 252 G CA 0.210 45.230 45.100 -0.133 0.000 0.623 252 G HN 0.649 nan 8.290 nan 0.000 0.514 253 W N 1.964 123.263 121.300 -0.002 0.000 2.771 253 W HA 0.639 5.299 4.660 -0.001 0.000 0.412 253 W C 0.319 176.801 176.519 -0.061 0.000 0.965 253 W CA -0.586 56.757 57.345 -0.002 0.000 2.045 253 W CB 0.499 30.037 29.460 0.129 0.000 1.176 253 W HN 0.139 nan 8.180 nan 0.000 0.634 254 E N 1.097 121.338 120.200 0.069 0.000 2.415 254 E HA 0.008 4.357 4.350 -0.001 0.000 0.263 254 E C 0.505 177.109 176.600 0.006 0.000 0.995 254 E CA 0.955 57.375 56.400 0.033 0.000 0.915 254 E CB 0.140 29.849 29.700 0.015 0.000 0.951 254 E HN 0.039 nan 8.360 nan 0.000 0.449 255 D N 1.860 122.273 120.400 0.022 0.000 3.079 255 D HA -0.217 4.423 4.640 -0.001 0.000 0.214 255 D C 0.721 176.985 176.300 -0.061 0.000 1.145 255 D CA 0.906 54.928 54.000 0.036 0.000 0.958 255 D CB -0.445 40.404 40.800 0.083 0.000 1.117 255 D HN 0.432 nan 8.370 nan 0.000 0.416 256 K N -0.956 119.370 120.400 -0.123 0.000 2.062 256 K HA -0.024 4.295 4.320 -0.001 0.000 0.205 256 K C 0.598 176.829 176.600 -0.614 0.000 1.051 256 K CA 1.162 57.237 56.287 -0.353 0.000 0.941 256 K CB 0.199 32.563 32.500 -0.226 0.000 0.719 256 K HN 0.299 nan 8.250 nan 0.000 0.440 257 Y N -1.303 118.931 120.300 -0.111 0.000 2.588 257 Y HA 0.509 5.058 4.550 -0.001 0.000 0.343 257 Y C -0.527 175.273 175.900 -0.168 0.000 1.065 257 Y CA -1.460 56.559 58.100 -0.134 0.000 1.038 257 Y CB 1.918 40.269 38.460 -0.182 0.000 1.297 257 Y HN -0.083 nan 8.280 nan 0.000 0.467 258 A N 1.957 124.737 122.820 -0.065 0.000 2.413 258 A HA 0.867 5.186 4.320 -0.001 0.000 0.307 258 A C -1.733 175.592 177.584 -0.432 0.000 1.087 258 A CA -0.789 51.001 52.037 -0.411 0.000 0.750 258 A CB 1.519 20.064 19.000 -0.759 0.000 1.296 258 A HN 0.763 nan 8.150 nan 0.000 0.423 259 I N 0.638 120.800 120.570 -0.680 0.000 2.582 259 I HA 0.748 4.917 4.170 -0.001 0.000 0.292 259 I C -0.365 175.486 176.117 -0.444 0.000 1.066 259 I CA -0.649 60.249 61.300 -0.670 0.000 1.053 259 I CB 1.897 39.144 38.000 -1.255 0.000 1.241 259 I HN 0.881 nan 8.210 nan 0.000 0.421 260 A N 4.707 127.370 122.820 -0.262 0.000 2.401 260 A HA 0.895 5.215 4.320 -0.001 0.000 0.310 260 A C -0.588 176.933 177.584 -0.105 0.000 1.075 260 A CA -0.453 51.476 52.037 -0.179 0.000 0.746 260 A CB 1.615 20.541 19.000 -0.122 0.000 1.277 260 A HN 0.850 nan 8.150 nan 0.000 0.425 261 G N -0.213 108.530 108.800 -0.095 0.000 2.452 261 G HA2 0.733 4.693 3.960 -0.001 0.000 0.324 261 G HA3 0.733 4.693 3.960 -0.001 0.000 0.324 261 G C -0.454 174.431 174.900 -0.025 0.000 1.214 261 G CA 0.120 45.203 45.100 -0.027 0.000 0.947 261 G HN 1.482 nan 8.290 nan 0.000 0.478 262 A N 1.017 123.848 122.820 0.018 0.000 2.355 262 A HA 0.680 5.000 4.320 -0.001 0.000 0.324 262 A C 0.060 177.761 177.584 0.196 0.000 1.117 262 A CA -0.653 51.405 52.037 0.035 0.000 0.785 262 A CB 1.123 20.105 19.000 -0.030 0.000 1.254 262 A HN 0.637 nan 8.150 nan 0.000 0.453 263 Y N -0.007 120.311 120.300 0.030 0.000 2.243 263 Y HA 0.066 4.616 4.550 -0.001 0.000 0.293 263 Y C 0.816 176.836 175.900 0.199 0.000 1.124 263 Y CA 0.437 58.599 58.100 0.103 0.000 1.159 263 Y CB 0.095 38.631 38.460 0.127 0.000 1.008 263 Y HN 0.677 nan 8.280 nan 0.000 0.527 264 W N 1.402 122.808 121.300 0.177 0.000 2.915 264 W HA 0.321 4.980 4.660 -0.001 0.000 0.337 264 W C -2.675 173.872 176.519 0.047 0.000 1.102 264 W CA -2.494 54.912 57.345 0.102 0.000 1.224 264 W CB 1.798 31.320 29.460 0.102 0.000 1.416 264 W HN -0.166 nan 8.180 nan 0.000 0.503 265 P HA -0.107 nan 4.420 nan 0.000 0.271 265 P C -2.511 174.408 177.300 -0.635 0.000 1.197 265 P CA -0.073 62.180 63.100 -1.411 0.000 0.777 265 P CB -0.277 30.906 31.700 -0.862 0.000 0.827 266 P HA 0.101 nan 4.420 nan 0.000 0.273 266 P C -0.680 176.511 177.300 -0.181 0.000 1.428 266 P CA 0.393 63.362 63.100 -0.219 0.000 0.995 266 P CB -0.169 31.442 31.700 -0.148 0.000 1.286 267 Q N 2.727 122.453 119.800 -0.122 0.000 2.702 267 Q HA 0.499 4.839 4.340 -0.001 0.000 0.289 267 Q C -1.626 174.354 176.000 -0.034 0.000 0.923 267 Q CA -1.084 54.639 55.803 -0.133 0.000 0.787 267 Q CB 1.088 29.710 28.738 -0.193 0.000 1.476 267 Q HN 0.314 nan 8.270 nan 0.000 0.402 268 Y N -1.670 118.569 120.300 -0.102 0.000 2.570 268 Y HA 0.888 5.437 4.550 -0.001 0.000 0.345 268 Y C -1.443 174.382 175.900 -0.125 0.000 1.014 268 Y CA -1.346 56.681 58.100 -0.121 0.000 1.063 268 Y CB 2.046 40.425 38.460 -0.137 0.000 1.272 268 Y HN 0.585 nan 8.280 nan 0.000 0.477 269 V N 4.112 124.050 119.914 0.040 0.000 2.686 269 V HA 0.537 4.657 4.120 -0.001 0.000 0.306 269 V C -1.221 174.842 176.094 -0.051 0.000 1.065 269 V CA -0.971 61.295 62.300 -0.056 0.000 0.894 269 V CB 1.561 33.332 31.823 -0.087 0.000 1.004 269 V HN 0.833 nan 8.190 nan 0.000 0.424 270 I N 7.561 128.099 120.570 -0.054 0.000 2.342 270 I HA 0.456 4.625 4.170 -0.001 0.000 0.291 270 I C 0.088 176.149 176.117 -0.092 0.000 1.010 270 I CA -0.039 61.201 61.300 -0.100 0.000 1.308 270 I CB 1.510 39.447 38.000 -0.105 0.000 1.400 270 I HN 0.522 nan 8.210 nan 0.000 0.488 271 M N 4.624 124.188 119.600 -0.060 0.000 2.602 271 M HA 0.316 4.795 4.480 -0.001 0.000 0.312 271 M C -0.351 176.009 176.300 0.100 0.000 1.181 271 M CA -0.828 54.447 55.300 -0.042 0.000 0.910 271 M CB 1.830 34.370 32.600 -0.099 0.000 1.723 271 M HN 0.447 nan 8.290 nan 0.000 0.459 272 D N 1.100 121.525 120.400 0.042 0.000 2.458 272 D HA 0.009 4.649 4.640 -0.001 0.000 0.243 272 D C 0.857 177.153 176.300 -0.007 0.000 1.146 272 D CA 0.488 54.506 54.000 0.029 0.000 0.877 272 D CB 1.414 42.205 40.800 -0.014 0.000 1.176 272 D HN 0.840 nan 8.370 nan 0.000 0.461 273 G N 3.324 112.079 108.800 -0.074 0.000 2.598 273 G HA2 -0.166 3.794 3.960 -0.001 0.000 0.215 273 G HA3 -0.166 3.794 3.960 -0.001 0.000 0.215 273 G C 1.213 176.076 174.900 -0.062 0.000 1.131 273 G CA 0.286 45.364 45.100 -0.036 0.000 0.785 273 G HN 0.606 nan 8.290 nan 0.000 0.539 274 E N -0.763 119.366 120.200 -0.119 0.000 2.340 274 E HA 0.002 4.351 4.350 -0.001 0.000 0.198 274 E C 2.364 178.873 176.600 -0.152 0.000 0.961 274 E CA 1.085 57.351 56.400 -0.225 0.000 0.905 274 E CB 0.447 30.075 29.700 -0.119 0.000 0.884 274 E HN 0.501 nan 8.360 nan 0.000 0.491 275 T N -2.360 112.193 114.554 -0.002 0.000 2.975 275 T HA 0.227 4.577 4.350 -0.001 0.000 0.257 275 T C 1.108 175.980 174.700 0.288 0.000 1.003 275 T CA -0.278 61.911 62.100 0.149 0.000 0.932 275 T CB 0.414 69.452 68.868 0.284 0.000 1.087 275 T HN 0.117 nan 8.240 nan 0.000 0.512 276 L N 0.183 121.477 121.223 0.119 0.000 4.800 276 L HA -0.149 4.191 4.340 -0.001 0.000 0.412 276 L C 0.325 176.970 176.870 -0.375 0.000 1.063 276 L CA 0.451 55.305 54.840 0.023 0.000 1.114 276 L CB -1.755 40.394 42.059 0.150 0.000 2.089 276 L HN 0.550 nan 8.230 nan 0.000 0.686 277 E N 3.457 123.370 120.200 -0.479 0.000 2.480 277 E HA 0.056 4.405 4.350 -0.001 0.000 0.258 277 E C -1.932 174.291 176.600 -0.627 0.000 0.984 277 E CA -1.322 54.411 56.400 -1.113 0.000 0.930 277 E CB 0.698 29.997 29.700 -0.669 0.000 0.936 277 E HN 0.058 nan 8.360 nan 0.000 0.466 278 P HA 0.019 nan 4.420 nan 0.000 0.276 278 P C -0.542 176.618 177.300 -0.234 0.000 1.253 278 P CA -0.071 62.832 63.100 -0.328 0.000 0.766 278 P CB 1.139 32.676 31.700 -0.272 0.000 0.845 279 K N 1.883 122.195 120.400 -0.147 0.000 2.329 279 K HA 0.162 4.482 4.320 -0.001 0.000 0.198 279 K C 0.431 176.976 176.600 -0.092 0.000 1.085 279 K CA 0.756 56.988 56.287 -0.093 0.000 0.961 279 K CB 0.338 32.825 32.500 -0.022 0.000 0.971 279 K HN 0.292 nan 8.250 nan 0.000 0.502 280 K N 0.911 121.246 120.400 -0.107 0.000 2.619 280 K HA 0.403 4.722 4.320 -0.001 0.000 0.251 280 K C -1.594 174.913 176.600 -0.154 0.000 0.987 280 K CA -0.062 56.156 56.287 -0.115 0.000 0.844 280 K CB 0.887 33.329 32.500 -0.098 0.000 1.237 280 K HN -0.113 nan 8.250 nan 0.000 0.447 281 I N 3.942 124.403 120.570 -0.182 0.000 2.354 281 I HA 0.395 4.565 4.170 -0.001 0.000 0.292 281 I C -0.302 175.612 176.117 -0.339 0.000 0.989 281 I CA -0.826 60.326 61.300 -0.246 0.000 1.188 281 I CB 1.702 39.599 38.000 -0.172 0.000 1.342 281 I HN 0.335 nan 8.210 nan 0.000 0.457 282 Q N 4.287 123.731 119.800 -0.594 0.000 2.330 282 Q HA 0.338 4.677 4.340 -0.001 0.000 0.269 282 Q C -0.570 175.138 176.000 -0.487 0.000 1.022 282 Q CA -0.497 54.946 55.803 -0.601 0.000 0.796 282 Q CB 2.509 30.665 28.738 -0.969 0.000 1.271 282 Q HN 0.702 nan 8.270 nan 0.000 0.450 283 S N 0.851 116.394 115.700 -0.262 0.000 2.576 283 S HA 0.193 4.662 4.470 -0.001 0.000 0.276 283 S C 0.884 175.418 174.600 -0.109 0.000 1.339 283 S CA 0.225 58.323 58.200 -0.171 0.000 1.039 283 S CB 0.455 63.593 63.200 -0.103 0.000 0.902 283 S HN 0.668 nan 8.310 nan 0.000 0.516 284 T N 1.622 116.135 114.554 -0.067 0.000 3.085 284 T HA 0.338 4.688 4.350 -0.001 0.000 0.264 284 T C 0.441 175.131 174.700 -0.018 0.000 1.019 284 T CA -0.426 61.669 62.100 -0.009 0.000 0.910 284 T CB -0.125 68.757 68.868 0.024 0.000 1.059 284 T HN 0.575 nan 8.240 nan 0.000 0.542 285 R N 1.055 121.548 120.500 -0.012 0.000 2.623 285 R HA 0.555 4.894 4.340 -0.001 0.000 0.271 285 R C 0.839 177.181 176.300 0.070 0.000 1.043 285 R CA 0.929 57.037 56.100 0.013 0.000 1.083 285 R CB 0.397 30.763 30.300 0.111 0.000 0.974 285 R HN 0.561 nan 8.270 nan 0.000 0.436 286 G N 1.268 110.066 108.800 -0.002 0.000 2.336 286 G HA2 0.175 4.135 3.960 -0.001 0.000 0.286 286 G HA3 0.175 4.135 3.960 -0.001 0.000 0.286 286 G C -1.523 173.404 174.900 0.046 0.000 1.269 286 G CA -0.970 44.197 45.100 0.111 0.000 0.873 286 G HN 0.235 nan 8.290 nan 0.000 0.494 287 M N 1.967 121.624 119.600 0.095 0.000 2.277 287 M HA 0.383 4.863 4.480 -0.001 0.000 0.350 287 M C 0.967 177.293 176.300 0.043 0.000 1.180 287 M CA -0.626 54.722 55.300 0.080 0.000 1.103 287 M CB 0.558 33.211 32.600 0.089 0.000 1.577 287 M HN 0.824 nan 8.290 nan 0.000 0.459 288 T N 0.076 114.646 114.554 0.027 0.000 2.932 288 T HA 0.075 4.425 4.350 -0.001 0.000 0.312 288 T C 1.020 175.724 174.700 0.006 0.000 1.071 288 T CA -0.253 61.853 62.100 0.011 0.000 1.128 288 T CB 0.204 69.057 68.868 -0.025 0.000 0.984 288 T HN 0.679 nan 8.240 nan 0.000 0.549 289 Y N 1.947 122.234 120.300 -0.022 0.000 2.293 289 Y HA -0.038 4.511 4.550 -0.001 0.000 0.291 289 Y C 1.665 177.563 175.900 -0.003 0.000 1.137 289 Y CA 1.483 59.575 58.100 -0.013 0.000 1.202 289 Y CB -0.597 37.851 38.460 -0.020 0.000 0.990 289 Y HN 0.695 nan 8.280 nan 0.000 0.537 290 D N -0.631 119.105 120.400 -1.108 0.000 2.290 290 D HA -0.089 4.551 4.640 -0.001 0.000 0.224 290 D C 1.476 177.563 176.300 -0.356 0.000 0.967 290 D CA 1.050 54.518 54.000 -0.887 0.000 0.893 290 D CB -0.739 39.414 40.800 -1.078 0.000 1.037 290 D HN 0.315 nan 8.370 nan 0.000 0.477 291 E N 0.310 120.350 120.200 -0.266 0.000 2.442 291 E HA -0.006 4.343 4.350 -0.001 0.000 0.195 291 E C 0.114 176.668 176.600 -0.077 0.000 1.030 291 E CA 0.072 56.395 56.400 -0.128 0.000 0.869 291 E CB -0.178 29.470 29.700 -0.087 0.000 0.857 291 E HN 0.430 nan 8.360 nan 0.000 0.505 292 Q N 0.928 120.681 119.800 -0.079 0.000 2.447 292 Q HA -0.219 4.121 4.340 -0.001 0.000 0.348 292 Q C -0.099 175.908 176.000 0.012 0.000 1.421 292 Q CA 0.762 56.552 55.803 -0.022 0.000 0.978 292 Q CB -1.575 27.155 28.738 -0.013 0.000 1.191 292 Q HN 0.316 nan 8.270 nan 0.000 0.371 293 E N 0.704 120.917 120.200 0.023 0.000 2.238 293 E HA 0.320 4.670 4.350 -0.001 0.000 0.267 293 E C -1.136 175.522 176.600 0.097 0.000 0.887 293 E CA -0.933 55.500 56.400 0.056 0.000 0.769 293 E CB 1.155 30.872 29.700 0.028 0.000 1.187 293 E HN 0.246 nan 8.360 nan 0.000 0.416 294 Y N 4.003 124.313 120.300 0.017 0.000 2.620 294 Y HA 0.030 4.580 4.550 -0.001 0.000 0.330 294 Y C -0.773 175.153 175.900 0.044 0.000 1.186 294 Y CA 0.503 58.623 58.100 0.033 0.000 1.467 294 Y CB 0.340 38.809 38.460 0.015 0.000 1.262 294 Y HN 0.455 nan 8.280 nan 0.000 0.550 295 H N 8.731 127.340 119.070 -0.769 0.000 2.589 295 H HA 0.295 4.850 4.556 -0.001 0.000 0.335 295 H C -2.246 172.588 175.328 -0.823 0.000 1.019 295 H CA -2.504 53.202 56.048 -0.569 0.000 1.213 295 H CB 2.380 31.968 29.762 -0.291 0.000 1.472 295 H HN 0.491 nan 8.280 nan 0.000 0.508 296 P HA 0.066 nan 4.420 nan 0.000 0.255 296 P C 0.088 177.494 177.300 0.176 0.000 1.248 296 P CA 0.501 63.536 63.100 -0.107 0.000 0.807 296 P CB 0.833 32.580 31.700 0.079 0.000 1.150 297 E N 0.674 121.101 120.200 0.378 0.000 3.832 297 E HA 0.261 4.610 4.350 -0.001 0.000 0.250 297 E C -2.695 173.972 176.600 0.111 0.000 1.215 297 E CA -1.813 54.785 56.400 0.330 0.000 1.179 297 E CB 0.933 30.880 29.700 0.413 0.000 1.270 297 E HN 0.043 nan 8.360 nan 0.000 0.405 298 P HA 0.217 nan 4.420 nan 0.000 0.274 298 P C -0.797 176.434 177.300 -0.115 0.000 1.504 298 P CA -0.319 62.645 63.100 -0.226 0.000 1.011 298 P CB 0.283 31.851 31.700 -0.220 0.000 1.366 299 R N 1.791 122.210 120.500 -0.136 0.000 2.590 299 R HA 0.240 4.579 4.340 -0.001 0.000 0.274 299 R C -0.028 176.266 176.300 -0.011 0.000 1.061 299 R CA -0.603 55.440 56.100 -0.095 0.000 1.081 299 R CB 0.430 30.483 30.300 -0.411 0.000 0.984 299 R HN 0.220 nan 8.270 nan 0.000 0.448 300 V N 3.484 123.464 119.914 0.109 0.000 2.508 300 V HA 0.157 4.277 4.120 -0.001 0.000 0.281 300 V C 0.802 177.009 176.094 0.187 0.000 1.041 300 V CA 0.309 62.674 62.300 0.107 0.000 1.016 300 V CB 0.800 32.676 31.823 0.089 0.000 0.984 300 V HN 0.997 nan 8.190 nan 0.000 0.478 301 A N 5.123 128.003 122.820 0.100 0.000 3.711 301 A HA 0.892 5.211 4.320 -0.001 0.000 0.185 301 A C 0.919 178.490 177.584 -0.022 0.000 1.697 301 A CA 0.205 52.294 52.037 0.087 0.000 1.787 301 A CB -0.444 18.594 19.000 0.063 0.000 1.545 301 A HN 1.077 nan 8.150 nan 0.000 0.553 302 A N -0.605 122.176 122.820 -0.064 0.000 2.483 302 A HA 0.511 4.831 4.320 -0.001 0.000 0.238 302 A C -0.340 177.199 177.584 -0.076 0.000 1.070 302 A CA 0.365 52.371 52.037 -0.052 0.000 0.770 302 A CB -0.507 18.505 19.000 0.020 0.000 1.008 302 A HN 0.515 nan 8.150 nan 0.000 0.497 303 I N 1.793 122.289 120.570 -0.124 0.000 2.466 303 I HA 0.369 4.538 4.170 -0.001 0.000 0.289 303 I C -0.920 175.086 176.117 -0.185 0.000 1.026 303 I CA -0.367 60.813 61.300 -0.199 0.000 1.078 303 I CB 1.680 39.522 38.000 -0.264 0.000 1.249 303 I HN 0.451 nan 8.210 nan 0.000 0.429 304 L N 4.896 125.978 121.223 -0.236 0.000 2.256 304 L HA 0.896 5.236 4.340 -0.001 0.000 0.261 304 L C -0.201 176.623 176.870 -0.077 0.000 1.022 304 L CA -0.543 54.193 54.840 -0.174 0.000 0.828 304 L CB 1.802 43.701 42.059 -0.266 0.000 1.374 304 L HN 0.646 nan 8.230 nan 0.000 0.436 305 A N -0.021 122.779 122.820 -0.033 0.000 2.356 305 A HA 0.681 5.001 4.320 -0.001 0.000 0.310 305 A C -0.565 176.941 177.584 -0.129 0.000 1.075 305 A CA -0.459 51.568 52.037 -0.016 0.000 0.746 305 A CB 1.459 20.463 19.000 0.006 0.000 1.221 305 A HN 0.501 nan 8.150 nan 0.000 0.443 306 S N 0.399 116.005 115.700 -0.157 0.000 2.564 306 S HA 0.193 4.663 4.470 -0.001 0.000 0.278 306 S C 0.559 175.068 174.600 -0.152 0.000 1.333 306 S CA -0.195 57.948 58.200 -0.095 0.000 1.048 306 S CB 0.044 63.163 63.200 -0.135 0.000 0.900 306 S HN 0.707 nan 8.310 nan 0.000 0.505 307 H N 3.203 122.283 119.070 0.018 0.000 2.586 307 H HA 0.121 4.676 4.556 -0.001 0.000 0.273 307 H C 0.223 175.528 175.328 -0.039 0.000 0.997 307 H CA 0.374 56.423 56.048 0.002 0.000 1.177 307 H CB 0.351 30.129 29.762 0.027 0.000 1.471 307 H HN 0.698 nan 8.280 nan 0.000 0.538 308 Y N 0.488 120.794 120.300 0.009 0.000 2.524 308 Y HA 0.220 4.770 4.550 -0.001 0.000 0.270 308 Y C 0.873 176.721 175.900 -0.087 0.000 1.094 308 Y CA 0.329 58.410 58.100 -0.033 0.000 1.276 308 Y CB 0.850 39.273 38.460 -0.061 0.000 1.130 308 Y HN -0.129 nan 8.280 nan 0.000 0.536 309 R N -0.151 120.336 120.500 -0.022 0.000 2.836 309 R HA 0.317 4.656 4.340 -0.001 0.000 0.269 309 R C -2.758 173.323 176.300 -0.365 0.000 1.010 309 R CA -2.071 53.927 56.100 -0.170 0.000 0.930 309 R CB 1.346 31.537 30.300 -0.183 0.000 1.218 309 R HN -0.302 nan 8.270 nan 0.000 0.473 310 P HA 0.135 nan 4.420 nan 0.000 0.230 310 P C -1.208 175.066 177.300 -1.711 0.000 1.791 310 P CA 0.242 62.586 63.100 -1.260 0.000 1.020 310 P CB 0.141 30.961 31.700 -1.466 0.000 1.977 311 E N 0.722 120.276 120.200 -1.077 0.000 2.367 311 E HA 0.510 4.860 4.350 -0.001 0.000 0.273 311 E C -0.867 175.443 176.600 -0.482 0.000 0.903 311 E CA -0.790 55.157 56.400 -0.755 0.000 0.764 311 E CB 1.391 30.835 29.700 -0.427 0.000 1.252 311 E HN 0.053 nan 8.360 nan 0.000 0.446 312 F N 1.132 120.998 119.950 -0.140 0.000 2.432 312 F HA 0.470 4.997 4.527 -0.001 0.000 0.329 312 F C 0.227 175.860 175.800 -0.278 0.000 1.076 312 F CA -0.708 57.187 58.000 -0.175 0.000 1.018 312 F CB 0.839 39.718 39.000 -0.201 0.000 1.201 312 F HN 0.228 nan 8.300 nan 0.000 0.489 313 I N 3.172 123.674 120.570 -0.114 0.000 2.390 313 I HA 0.356 4.526 4.170 -0.001 0.000 0.283 313 I C -1.168 174.757 176.117 -0.321 0.000 1.016 313 I CA -0.575 60.544 61.300 -0.302 0.000 1.151 313 I CB 1.178 38.849 38.000 -0.549 0.000 1.293 313 I HN 0.127 nan 8.210 nan 0.000 0.458 314 V N 5.624 125.377 119.914 -0.268 0.000 2.409 314 V HA 0.348 4.467 4.120 -0.001 0.000 0.291 314 V C -0.069 175.949 176.094 -0.126 0.000 1.020 314 V CA -0.803 61.346 62.300 -0.252 0.000 0.848 314 V CB 1.558 33.134 31.823 -0.412 0.000 0.990 314 V HN 0.576 nan 8.190 nan 0.000 0.430 315 N N 3.183 121.848 118.700 -0.058 0.000 2.444 315 N HA 0.396 5.135 4.740 -0.001 0.000 0.271 315 N C -0.604 174.901 175.510 -0.008 0.000 1.069 315 N CA -0.114 52.945 53.050 0.014 0.000 0.965 315 N CB 1.832 40.364 38.487 0.075 0.000 1.092 315 N HN 0.439 nan 8.380 nan 0.000 0.476 316 V N 3.664 123.568 119.914 -0.018 0.000 2.326 316 V HA 0.181 4.300 4.120 -0.001 0.000 0.281 316 V C 1.535 177.588 176.094 -0.068 0.000 1.015 316 V CA -0.708 61.572 62.300 -0.034 0.000 0.823 316 V CB 1.321 33.127 31.823 -0.029 0.000 1.009 316 V HN 0.673 nan 8.190 nan 0.000 0.436 317 K N 3.343 123.695 120.400 -0.081 0.000 1.978 317 K HA -0.201 4.118 4.320 -0.001 0.000 0.214 317 K C 1.627 178.083 176.600 -0.240 0.000 1.049 317 K CA 2.226 58.447 56.287 -0.112 0.000 0.939 317 K CB 0.209 32.653 32.500 -0.094 0.000 0.721 317 K HN 0.679 nan 8.250 nan 0.000 0.441 318 E N -0.404 119.582 120.200 -0.357 0.000 2.204 318 E HA -0.098 4.251 4.350 -0.001 0.000 0.194 318 E C 1.735 178.095 176.600 -0.400 0.000 0.989 318 E CA 1.702 57.779 56.400 -0.537 0.000 0.824 318 E CB 0.022 29.188 29.700 -0.890 0.000 0.756 318 E HN 0.601 nan 8.360 nan 0.000 0.477 319 T N -3.479 110.917 114.554 -0.264 0.000 3.081 319 T HA 0.217 4.567 4.350 -0.001 0.000 0.255 319 T C 1.516 176.239 174.700 0.039 0.000 1.113 319 T CA 0.214 62.257 62.100 -0.096 0.000 1.082 319 T CB 0.193 69.019 68.868 -0.070 0.000 0.939 319 T HN 0.209 nan 8.240 nan 0.000 0.506 320 G N 1.621 110.405 108.800 -0.027 0.000 2.272 320 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.280 320 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.280 320 G C -0.289 174.554 174.900 -0.096 0.000 1.067 320 G CA 0.025 45.102 45.100 -0.038 0.000 0.902 320 G HN 0.653 nan 8.290 nan 0.000 0.500 321 K N -0.637 119.731 120.400 -0.053 0.000 2.270 321 K HA 0.686 5.006 4.320 -0.001 0.000 0.255 321 K C 0.098 176.672 176.600 -0.043 0.000 0.936 321 K CA -0.901 55.358 56.287 -0.048 0.000 0.809 321 K CB 1.839 34.334 32.500 -0.008 0.000 1.131 321 K HN 0.196 nan 8.250 nan 0.000 0.427 322 I N 4.490 125.034 120.570 -0.044 0.000 2.339 322 I HA 0.262 4.432 4.170 -0.001 0.000 0.290 322 I C -0.563 175.528 176.117 -0.044 0.000 0.994 322 I CA -0.727 60.563 61.300 -0.018 0.000 1.191 322 I CB 0.881 38.904 38.000 0.037 0.000 1.343 322 I HN 0.303 nan 8.210 nan 0.000 0.458 323 L N 7.135 128.315 121.223 -0.072 0.000 2.295 323 L HA 0.515 4.854 4.340 -0.001 0.000 0.285 323 L C -0.543 176.250 176.870 -0.129 0.000 1.035 323 L CA -0.646 54.142 54.840 -0.087 0.000 0.806 323 L CB 1.140 43.146 42.059 -0.088 0.000 1.214 323 L HN 0.433 nan 8.230 nan 0.000 0.426 324 L N 4.722 125.876 121.223 -0.114 0.000 2.277 324 L HA 0.431 4.771 4.340 -0.001 0.000 0.284 324 L C -0.556 176.231 176.870 -0.138 0.000 1.028 324 L CA -0.606 54.150 54.840 -0.141 0.000 0.835 324 L CB 1.578 43.556 42.059 -0.135 0.000 1.215 324 L HN 0.327 nan 8.230 nan 0.000 0.425 325 V N 2.027 121.853 119.914 -0.148 0.000 2.347 325 V HA 0.190 4.309 4.120 -0.001 0.000 0.280 325 V C -0.040 175.931 176.094 -0.204 0.000 1.021 325 V CA -0.613 61.620 62.300 -0.112 0.000 0.847 325 V CB 1.698 33.489 31.823 -0.052 0.000 0.990 325 V HN 0.593 nan 8.190 nan 0.000 0.444 326 D N 4.346 124.601 120.400 -0.241 0.000 2.316 326 D HA 0.106 4.746 4.640 -0.001 0.000 0.245 326 D C 0.310 176.382 176.300 -0.380 0.000 1.171 326 D CA -0.339 53.411 54.000 -0.417 0.000 0.856 326 D CB 1.244 41.851 40.800 -0.321 0.000 1.090 326 D HN 0.638 nan 8.370 nan 0.000 0.476 327 Y N 1.166 121.185 120.300 -0.467 0.000 2.470 327 Y HA 0.148 4.698 4.550 -0.001 0.000 0.284 327 Y C 1.841 177.465 175.900 -0.461 0.000 1.188 327 Y CA 0.025 57.822 58.100 -0.505 0.000 1.269 327 Y CB -0.785 37.279 38.460 -0.661 0.000 1.094 327 Y HN 0.240 nan 8.280 nan 0.000 0.518 328 T N -3.414 110.897 114.554 -0.405 0.000 2.995 328 T HA -0.032 4.318 4.350 -0.001 0.000 0.269 328 T C 0.146 174.877 174.700 0.052 0.000 1.091 328 T CA 0.968 62.958 62.100 -0.182 0.000 1.128 328 T CB -0.029 68.759 68.868 -0.133 0.000 0.891 328 T HN 0.323 nan 8.240 nan 0.000 0.492 329 D N -0.161 120.227 120.400 -0.019 0.000 2.470 329 D HA 0.244 4.884 4.640 -0.001 0.000 0.233 329 D C 0.442 176.731 176.300 -0.017 0.000 1.372 329 D CA -0.500 53.511 54.000 0.019 0.000 0.994 329 D CB 0.894 41.700 40.800 0.010 0.000 1.377 329 D HN 0.157 nan 8.370 nan 0.000 0.586 330 L N 1.900 123.120 121.223 -0.006 0.000 2.492 330 L HA 0.107 4.447 4.340 -0.001 0.000 0.223 330 L C 1.183 178.039 176.870 -0.024 0.000 1.132 330 L CA 0.346 55.165 54.840 -0.035 0.000 0.850 330 L CB 0.193 42.221 42.059 -0.051 0.000 0.966 330 L HN 0.279 nan 8.230 nan 0.000 0.454 331 D N -0.107 120.288 120.400 -0.007 0.000 2.201 331 D HA -0.009 4.631 4.640 -0.001 0.000 0.209 331 D C 0.680 176.971 176.300 -0.015 0.000 0.961 331 D CA 0.824 54.818 54.000 -0.010 0.000 0.861 331 D CB 0.141 40.941 40.800 0.001 0.000 0.997 331 D HN 0.237 nan 8.370 nan 0.000 0.486 332 N N 1.493 120.185 118.700 -0.013 0.000 3.091 332 N HA 0.139 4.878 4.740 -0.001 0.000 0.255 332 N C -0.571 174.923 175.510 -0.027 0.000 1.204 332 N CA -0.236 52.804 53.050 -0.017 0.000 0.990 332 N CB 1.407 39.887 38.487 -0.012 0.000 1.260 332 N HN 0.066 nan 8.380 nan 0.000 0.502 333 L N 1.802 123.007 121.223 -0.031 0.000 2.385 333 L HA 0.157 4.496 4.340 -0.001 0.000 0.281 333 L C 0.138 176.984 176.870 -0.041 0.000 1.106 333 L CA 0.003 54.820 54.840 -0.038 0.000 0.856 333 L CB 0.137 42.177 42.059 -0.031 0.000 1.186 333 L HN 0.071 nan 8.230 nan 0.000 0.453 334 K N 3.901 124.265 120.400 -0.060 0.000 2.276 334 K HA 0.460 4.780 4.320 -0.001 0.000 0.285 334 K C -0.179 176.379 176.600 -0.070 0.000 1.062 334 K CA -0.308 55.940 56.287 -0.066 0.000 0.918 334 K CB 0.850 33.299 32.500 -0.085 0.000 1.055 334 K HN 0.737 nan 8.250 nan 0.000 0.477 335 T N -1.082 113.442 114.554 -0.050 0.000 2.906 335 T HA 0.391 4.741 4.350 -0.001 0.000 0.295 335 T C -0.356 174.315 174.700 -0.048 0.000 1.061 335 T CA -0.813 61.259 62.100 -0.047 0.000 1.000 335 T CB 1.785 70.648 68.868 -0.008 0.000 1.103 335 T HN 0.260 nan 8.240 nan 0.000 0.486 336 T N 2.437 116.956 114.554 -0.058 0.000 2.791 336 T HA 0.414 4.764 4.350 -0.001 0.000 0.288 336 T C -0.557 174.118 174.700 -0.042 0.000 0.999 336 T CA -0.649 61.420 62.100 -0.051 0.000 0.952 336 T CB 0.963 69.792 68.868 -0.065 0.000 0.938 336 T HN 0.681 nan 8.240 nan 0.000 0.444 337 E N 3.211 123.396 120.200 -0.025 0.000 2.035 337 E HA 0.305 4.654 4.350 -0.001 0.000 0.271 337 E C -0.377 176.211 176.600 -0.021 0.000 0.953 337 E CA -0.319 56.071 56.400 -0.016 0.000 0.777 337 E CB 0.926 30.628 29.700 0.003 0.000 1.104 337 E HN 0.566 nan 8.360 nan 0.000 0.408 338 I N 2.459 123.008 120.570 -0.036 0.000 2.312 338 I HA 0.063 4.232 4.170 -0.001 0.000 0.291 338 I C 0.357 176.434 176.117 -0.066 0.000 1.031 338 I CA -0.305 60.966 61.300 -0.049 0.000 1.293 338 I CB 1.207 39.170 38.000 -0.063 0.000 1.403 338 I HN 0.312 nan 8.210 nan 0.000 0.484 339 S N 5.222 120.891 115.700 -0.051 0.000 2.498 339 S HA 0.346 4.816 4.470 -0.001 0.000 0.281 339 S C 0.580 175.009 174.600 -0.285 0.000 1.265 339 S CA -0.149 58.001 58.200 -0.084 0.000 1.071 339 S CB 0.940 64.187 63.200 0.078 0.000 0.894 339 S HN 0.794 nan 8.310 nan 0.000 0.491 340 A N 3.593 126.084 122.820 -0.549 0.000 2.611 340 A HA 0.815 5.134 4.320 -0.001 0.000 0.208 340 A C -0.154 176.914 177.584 -0.860 0.000 1.958 340 A CA -0.189 51.537 52.037 -0.519 0.000 1.718 340 A CB 0.162 18.981 19.000 -0.301 0.000 1.357 340 A HN 0.591 nan 8.150 nan 0.000 0.428 341 E N -0.250 119.588 120.200 -0.603 0.000 2.372 341 E HA 0.514 4.863 4.350 -0.001 0.000 0.279 341 E C -1.017 175.539 176.600 -0.073 0.000 0.946 341 E CA -0.500 55.684 56.400 -0.359 0.000 0.769 341 E CB 1.238 30.875 29.700 -0.105 0.000 1.230 341 E HN 0.445 nan 8.360 nan 0.000 0.442 342 R N 1.977 122.594 120.500 0.195 0.000 2.774 342 R HA 0.336 4.676 4.340 -0.001 0.000 0.269 342 R C -0.196 176.209 176.300 0.174 0.000 1.068 342 R CA 0.393 56.540 56.100 0.079 0.000 1.180 342 R CB 0.068 30.348 30.300 -0.033 0.000 1.077 342 R HN 0.711 nan 8.270 nan 0.000 0.513 343 F N -1.653 118.309 119.950 0.020 0.000 2.893 343 F HA -0.215 4.311 4.527 -0.001 0.000 0.287 343 F C -0.007 175.814 175.800 0.036 0.000 0.766 343 F CA -0.164 57.847 58.000 0.018 0.000 1.362 343 F CB -1.869 37.142 39.000 0.018 0.000 1.518 343 F HN 0.365 nan 8.300 nan 0.000 0.417 344 L N 0.356 121.649 121.223 0.117 0.000 2.525 344 L HA 0.115 4.455 4.340 -0.001 0.000 0.278 344 L C 1.268 178.252 176.870 0.190 0.000 1.218 344 L CA 0.721 55.622 54.840 0.101 0.000 0.878 344 L CB 0.499 42.578 42.059 0.034 0.000 1.127 344 L HN 0.320 nan 8.230 nan 0.000 0.492 345 H N 0.854 119.959 119.070 0.057 0.000 5.120 345 H HA 0.213 4.769 4.556 -0.001 0.000 0.090 345 H C -0.650 174.722 175.328 0.073 0.000 1.292 345 H CA 0.158 56.251 56.048 0.075 0.000 0.528 345 H CB 0.492 30.299 29.762 0.075 0.000 1.593 345 H HN 0.721 nan 8.280 nan 0.000 0.138 346 D N -0.026 120.355 120.400 -0.031 0.000 2.440 346 D HA 0.555 5.195 4.640 -0.001 0.000 0.258 346 D C 0.394 176.730 176.300 0.060 0.000 1.092 346 D CA -0.278 53.696 54.000 -0.043 0.000 1.016 346 D CB 1.833 42.575 40.800 -0.097 0.000 1.141 346 D HN 0.723 nan 8.370 nan 0.000 0.552 347 G N -2.599 106.295 108.800 0.156 0.000 2.320 347 G HA2 0.590 4.550 3.960 -0.001 0.000 0.296 347 G HA3 0.590 4.550 3.960 -0.001 0.000 0.296 347 G C -1.212 173.912 174.900 0.374 0.000 1.306 347 G CA -0.360 44.854 45.100 0.191 0.000 0.836 347 G HN 0.842 nan 8.290 nan 0.000 0.517 348 G N -1.414 107.621 108.800 0.392 0.000 2.684 348 G HA2 0.670 4.629 3.960 -0.001 0.000 0.290 348 G HA3 0.670 4.629 3.960 -0.001 0.000 0.290 348 G C -0.956 174.256 174.900 0.520 0.000 1.425 348 G CA -0.879 44.560 45.100 0.564 0.000 0.822 348 G HN 0.697 nan 8.290 nan 0.000 0.482 349 L N 1.283 122.889 121.223 0.638 0.000 2.418 349 L HA 0.307 4.646 4.340 -0.001 0.000 0.265 349 L C 0.799 177.900 176.870 0.384 0.000 1.143 349 L CA -1.028 54.057 54.840 0.409 0.000 0.809 349 L CB 0.919 43.172 42.059 0.323 0.000 1.124 349 L HN 0.760 nan 8.230 nan 0.000 0.456 350 D N 1.208 121.776 120.400 0.281 0.000 2.393 350 D HA -0.027 4.613 4.640 -0.001 0.000 0.246 350 D C 1.145 177.569 176.300 0.207 0.000 1.275 350 D CA 0.049 54.221 54.000 0.286 0.000 0.979 350 D CB 0.789 41.776 40.800 0.310 0.000 1.101 350 D HN 0.620 nan 8.370 nan 0.000 0.505 351 G N -0.727 108.153 108.800 0.133 0.000 2.450 351 G HA2 -0.284 3.676 3.960 -0.001 0.000 0.220 351 G HA3 -0.284 3.676 3.960 -0.001 0.000 0.220 351 G C 1.498 176.311 174.900 -0.145 0.000 1.130 351 G CA 1.354 46.441 45.100 -0.021 0.000 0.760 351 G HN 0.597 nan 8.290 nan 0.000 0.557 352 S N -1.249 114.446 115.700 -0.007 0.000 2.562 352 S HA 0.057 4.526 4.470 -0.001 0.000 0.221 352 S C 1.026 175.672 174.600 0.075 0.000 0.975 352 S CA 0.794 58.998 58.200 0.006 0.000 0.918 352 S CB -0.500 62.783 63.200 0.138 0.000 0.772 352 S HN 0.677 nan 8.310 nan 0.000 0.531 353 H N -0.394 118.705 119.070 0.050 0.000 3.080 353 H HA -0.171 4.384 4.556 -0.001 0.000 0.254 353 H C 1.380 176.784 175.328 0.127 0.000 1.179 353 H CA 0.856 56.915 56.048 0.017 0.000 1.144 353 H CB -1.004 28.632 29.762 -0.210 0.000 1.261 353 H HN 0.512 nan 8.280 nan 0.000 0.333 354 R N 0.135 120.681 120.500 0.075 0.000 2.146 354 R HA 0.089 4.429 4.340 -0.001 0.000 0.206 354 R C -0.225 175.730 176.300 -0.575 0.000 1.049 354 R CA 0.583 56.360 56.100 -0.538 0.000 1.029 354 R CB 0.514 30.237 30.300 -0.963 0.000 0.949 354 R HN 0.158 nan 8.270 nan 0.000 0.471 355 Y N -0.217 120.085 120.300 0.003 0.000 2.341 355 Y HA 0.291 4.840 4.550 -0.001 0.000 0.337 355 Y C -0.723 175.186 175.900 0.014 0.000 1.014 355 Y CA -1.326 56.749 58.100 -0.042 0.000 1.111 355 Y CB 1.252 39.701 38.460 -0.019 0.000 1.194 355 Y HN -0.081 nan 8.280 nan 0.000 0.462 356 F N 5.122 125.025 119.950 -0.078 0.000 2.405 356 F HA 0.616 5.143 4.527 -0.001 0.000 0.355 356 F C -0.933 174.717 175.800 -0.251 0.000 1.121 356 F CA -1.855 56.072 58.000 -0.122 0.000 1.112 356 F CB 0.242 39.178 39.000 -0.106 0.000 1.126 356 F HN 0.332 nan 8.300 nan 0.000 0.481 357 I N 5.916 126.050 120.570 -0.727 0.000 2.382 357 I HA 0.329 4.498 4.170 -0.001 0.000 0.286 357 I C -0.162 175.315 176.117 -1.066 0.000 1.002 357 I CA -0.414 60.291 61.300 -0.992 0.000 1.135 357 I CB 1.762 38.953 38.000 -1.348 0.000 1.288 357 I HN 0.581 nan 8.210 nan 0.000 0.448 358 T N 4.642 118.656 114.554 -0.900 0.000 2.900 358 T HA 0.736 5.086 4.350 -0.001 0.000 0.295 358 T C -0.789 173.743 174.700 -0.281 0.000 1.044 358 T CA -0.502 61.230 62.100 -0.612 0.000 0.995 358 T CB 1.513 69.871 68.868 -0.849 0.000 1.072 358 T HN 0.610 nan 8.240 nan 0.000 0.473 359 A N 2.598 125.363 122.820 -0.092 0.000 2.320 359 A HA 0.709 5.029 4.320 -0.001 0.000 0.287 359 A C 0.537 178.135 177.584 0.023 0.000 1.181 359 A CA -0.317 51.714 52.037 -0.010 0.000 0.831 359 A CB 0.061 19.084 19.000 0.039 0.000 1.102 359 A HN 1.165 nan 8.150 nan 0.000 0.513 360 A N 3.505 126.339 122.820 0.023 0.000 2.880 360 A HA 0.389 4.709 4.320 -0.001 0.000 0.328 360 A C 0.991 178.634 177.584 0.099 0.000 1.440 360 A CA -0.389 51.701 52.037 0.087 0.000 1.068 360 A CB -0.663 18.373 19.000 0.061 0.000 1.163 360 A HN 0.961 nan 8.150 nan 0.000 0.510 361 N N 2.522 121.287 118.700 0.108 0.000 2.084 361 N HA -0.170 4.569 4.740 -0.001 0.000 0.190 361 N C 1.399 176.883 175.510 -0.043 0.000 1.030 361 N CA 1.921 54.997 53.050 0.043 0.000 0.849 361 N CB -0.496 38.020 38.487 0.048 0.000 1.012 361 N HN 0.460 nan 8.380 nan 0.000 0.423 362 A N -0.285 122.429 122.820 -0.177 0.000 2.172 362 A HA 0.052 4.371 4.320 -0.001 0.000 0.216 362 A C 1.679 179.062 177.584 -0.334 0.000 1.154 362 A CA 0.647 52.415 52.037 -0.448 0.000 0.701 362 A CB -0.166 18.111 19.000 -1.206 0.000 0.789 362 A HN 0.132 nan 8.150 nan 0.000 0.465 363 R N -0.240 120.174 120.500 -0.144 0.000 2.393 363 R HA 0.092 4.431 4.340 -0.001 0.000 0.244 363 R C -0.304 175.995 176.300 -0.002 0.000 0.920 363 R CA 0.018 56.095 56.100 -0.040 0.000 1.076 363 R CB -0.432 29.911 30.300 0.072 0.000 1.119 363 R HN 0.552 nan 8.270 nan 0.000 0.524 364 N N 1.166 119.868 118.700 0.004 0.000 2.725 364 N HA -0.168 4.572 4.740 -0.001 0.000 0.249 364 N C -0.693 174.848 175.510 0.052 0.000 1.103 364 N CA 1.095 54.171 53.050 0.044 0.000 0.707 364 N CB -0.619 37.890 38.487 0.036 0.000 1.043 364 N HN 0.193 nan 8.380 nan 0.000 0.553 365 K N 0.411 120.832 120.400 0.036 0.000 2.267 365 K HA 0.569 4.889 4.320 -0.001 0.000 0.246 365 K C 0.485 177.082 176.600 -0.005 0.000 0.954 365 K CA -0.599 55.698 56.287 0.017 0.000 0.824 365 K CB 1.845 34.345 32.500 0.001 0.000 1.167 365 K HN 0.041 nan 8.250 nan 0.000 0.431 366 L N 1.630 122.836 121.223 -0.028 0.000 2.307 366 L HA 0.448 4.788 4.340 -0.001 0.000 0.284 366 L C -0.349 176.419 176.870 -0.170 0.000 1.023 366 L CA -1.215 53.569 54.840 -0.094 0.000 0.810 366 L CB 1.727 43.748 42.059 -0.064 0.000 1.231 366 L HN 0.111 nan 8.230 nan 0.000 0.423 367 V N 4.044 123.804 119.914 -0.257 0.000 2.435 367 V HA 0.426 4.545 4.120 -0.001 0.000 0.290 367 V C -0.061 175.776 176.094 -0.429 0.000 1.030 367 V CA -0.621 61.499 62.300 -0.299 0.000 0.881 367 V CB 2.162 33.821 31.823 -0.272 0.000 0.983 367 V HN 0.420 nan 8.190 nan 0.000 0.445 368 V N 6.355 126.000 119.914 -0.448 0.000 2.409 368 V HA 0.562 4.681 4.120 -0.001 0.000 0.291 368 V C -0.240 175.583 176.094 -0.451 0.000 1.020 368 V CA -0.498 61.447 62.300 -0.593 0.000 0.848 368 V CB 1.540 32.763 31.823 -1.001 0.000 0.990 368 V HN 0.812 nan 8.190 nan 0.000 0.430 369 I N 0.280 120.675 120.570 -0.291 0.000 2.530 369 I HA 0.687 4.856 4.170 -0.001 0.000 0.297 369 I C -0.648 175.431 176.117 -0.063 0.000 1.011 369 I CA -0.533 60.681 61.300 -0.143 0.000 1.107 369 I CB 2.035 40.014 38.000 -0.036 0.000 1.285 369 I HN 0.460 nan 8.210 nan 0.000 0.436 370 D N 4.417 124.781 120.400 -0.059 0.000 2.339 370 D HA 0.107 4.746 4.640 -0.001 0.000 0.241 370 D C 1.224 177.393 176.300 -0.218 0.000 1.183 370 D CA -0.141 53.782 54.000 -0.129 0.000 0.859 370 D CB 1.574 42.358 40.800 -0.027 0.000 1.067 370 D HN 0.794 nan 8.370 nan 0.000 0.484 371 T N 1.089 115.461 114.554 -0.303 0.000 3.085 371 T HA -0.083 4.267 4.350 -0.001 0.000 0.263 371 T C 1.565 176.121 174.700 -0.240 0.000 1.127 371 T CA 0.695 62.660 62.100 -0.225 0.000 1.103 371 T CB 0.107 68.876 68.868 -0.164 0.000 0.921 371 T HN 0.374 nan 8.240 nan 0.000 0.510 372 K N 0.735 120.905 120.400 -0.383 0.000 2.044 372 K HA -0.021 4.298 4.320 -0.001 0.000 0.204 372 K C 2.004 178.525 176.600 -0.130 0.000 1.049 372 K CA 1.049 57.187 56.287 -0.247 0.000 0.945 372 K CB 0.124 32.408 32.500 -0.360 0.000 0.724 372 K HN 0.187 nan 8.250 nan 0.000 0.440 373 E N -0.487 119.631 120.200 -0.137 0.000 2.447 373 E HA 0.048 4.397 4.350 -0.001 0.000 0.195 373 E C 0.559 177.113 176.600 -0.077 0.000 1.028 373 E CA 0.726 57.079 56.400 -0.079 0.000 0.876 373 E CB 0.714 30.382 29.700 -0.053 0.000 0.885 373 E HN 0.567 nan 8.360 nan 0.000 0.500 374 G N 2.147 110.888 108.800 -0.098 0.000 2.272 374 G HA2 -0.287 3.672 3.960 -0.001 0.000 0.280 374 G HA3 -0.287 3.672 3.960 -0.001 0.000 0.280 374 G C -0.054 174.803 174.900 -0.073 0.000 1.067 374 G CA 0.684 45.730 45.100 -0.089 0.000 0.902 374 G HN 0.138 nan 8.290 nan 0.000 0.500 375 K N -1.166 119.189 120.400 -0.073 0.000 2.532 375 K HA 0.542 4.862 4.320 -0.001 0.000 0.265 375 K C -0.403 176.146 176.600 -0.086 0.000 0.948 375 K CA -1.260 54.987 56.287 -0.067 0.000 0.842 375 K CB 2.259 34.728 32.500 -0.052 0.000 1.392 375 K HN 0.224 nan 8.250 nan 0.000 0.436 376 L N 2.551 123.717 121.223 -0.095 0.000 2.455 376 L HA 0.033 4.373 4.340 -0.001 0.000 0.272 376 L C 0.565 177.346 176.870 -0.148 0.000 1.174 376 L CA 0.470 55.230 54.840 -0.135 0.000 0.869 376 L CB 1.011 42.994 42.059 -0.127 0.000 1.130 376 L HN 0.612 nan 8.230 nan 0.000 0.474 377 V N 1.740 121.510 119.914 -0.239 0.000 3.572 377 V HA 0.790 4.909 4.120 -0.001 0.000 0.260 377 V C 0.506 176.416 176.094 -0.305 0.000 1.324 377 V CA 0.474 62.614 62.300 -0.267 0.000 1.068 377 V CB -0.503 31.116 31.823 -0.341 0.000 0.837 377 V HN 1.025 nan 8.190 nan 0.000 0.450 378 A N 0.026 122.638 122.820 -0.347 0.000 2.605 378 A HA 0.835 5.154 4.320 -0.001 0.000 0.294 378 A C -1.495 175.964 177.584 -0.208 0.000 1.062 378 A CA -0.476 51.417 52.037 -0.241 0.000 0.682 378 A CB 1.394 20.247 19.000 -0.244 0.000 1.278 378 A HN 0.323 nan 8.150 nan 0.000 0.410 379 I N 1.509 122.006 120.570 -0.123 0.000 2.500 379 I HA 0.435 4.604 4.170 -0.001 0.000 0.286 379 I C -1.038 175.048 176.117 -0.051 0.000 1.063 379 I CA -0.395 60.843 61.300 -0.102 0.000 1.062 379 I CB 1.979 39.927 38.000 -0.088 0.000 1.223 379 I HN 0.527 nan 8.210 nan 0.000 0.435 380 E N 4.528 124.704 120.200 -0.041 0.000 2.256 380 E HA 0.258 4.608 4.350 -0.001 0.000 0.268 380 E C -1.317 175.286 176.600 0.006 0.000 0.877 380 E CA -0.659 55.736 56.400 -0.007 0.000 0.757 380 E CB 2.986 32.692 29.700 0.010 0.000 1.183 380 E HN 0.484 nan 8.360 nan 0.000 0.418 381 D N 1.401 121.809 120.400 0.013 0.000 2.390 381 D HA 0.011 4.650 4.640 -0.001 0.000 0.249 381 D C 0.979 177.301 176.300 0.037 0.000 1.144 381 D CA 0.255 54.270 54.000 0.025 0.000 0.880 381 D CB 1.149 41.959 40.800 0.016 0.000 1.182 381 D HN 0.430 nan 8.370 nan 0.000 0.451 382 T N 0.578 115.177 114.554 0.074 0.000 3.088 382 T HA 0.171 4.521 4.350 -0.001 0.000 0.259 382 T C 1.489 176.212 174.700 0.038 0.000 1.122 382 T CA 0.685 62.847 62.100 0.105 0.000 1.095 382 T CB 0.147 69.183 68.868 0.280 0.000 0.930 382 T HN 0.653 nan 8.240 nan 0.000 0.508 383 G N 0.372 109.173 108.800 0.002 0.000 2.199 383 G HA2 -0.064 3.896 3.960 -0.001 0.000 0.254 383 G HA3 -0.064 3.896 3.960 -0.001 0.000 0.254 383 G C 0.404 175.229 174.900 -0.125 0.000 0.982 383 G CA -0.056 45.015 45.100 -0.047 0.000 0.632 383 G HN 1.079 nan 8.290 nan 0.000 0.529 384 G N -1.223 107.453 108.800 -0.205 0.000 2.601 384 G HA2 0.608 4.568 3.960 -0.001 0.000 0.317 384 G HA3 0.608 4.568 3.960 -0.001 0.000 0.317 384 G C -0.622 174.170 174.900 -0.181 0.000 1.246 384 G CA -0.414 44.390 45.100 -0.494 0.000 1.012 384 G HN 0.213 nan 8.290 nan 0.000 0.494 385 Q N 0.700 120.419 119.800 -0.134 0.000 2.347 385 Q HA 0.402 4.742 4.340 -0.001 0.000 0.262 385 Q C -0.489 175.603 176.000 0.155 0.000 0.980 385 Q CA -0.227 55.587 55.803 0.019 0.000 0.867 385 Q CB 1.155 29.879 28.738 -0.023 0.000 1.242 385 Q HN 0.709 nan 8.270 nan 0.000 0.453 386 T N 2.249 116.891 114.554 0.147 0.000 3.645 386 T HA -0.087 4.263 4.350 -0.001 0.000 0.400 386 T C -2.441 172.335 174.700 0.128 0.000 0.764 386 T CA -0.269 61.894 62.100 0.106 0.000 2.104 386 T CB -1.175 67.719 68.868 0.043 0.000 1.737 386 T HN 0.450 nan 8.240 nan 0.000 0.763 387 P HA 0.071 nan 4.420 nan 0.000 0.264 387 P C -0.183 177.078 177.300 -0.065 0.000 1.183 387 P CA 0.408 63.341 63.100 -0.279 0.000 0.763 387 P CB 0.457 32.032 31.700 -0.208 0.000 0.807 388 H N 5.359 124.308 119.070 -0.200 0.000 2.651 388 H HA 0.207 4.762 4.556 -0.001 0.000 0.252 388 H C -2.166 173.085 175.328 -0.127 0.000 1.365 388 H CA -1.767 54.219 56.048 -0.103 0.000 1.539 388 H CB 1.514 31.197 29.762 -0.131 0.000 1.621 388 H HN 0.211 nan 8.280 nan 0.000 0.526 389 P HA 0.088 nan 4.420 nan 0.000 0.230 389 P C 1.040 178.354 177.300 0.023 0.000 1.168 389 P CA 1.465 64.517 63.100 -0.081 0.000 0.793 389 P CB 1.209 32.953 31.700 0.074 0.000 0.851 390 G N 1.708 110.503 108.800 -0.009 0.000 2.531 390 G HA2 -0.342 3.617 3.960 -0.001 0.000 0.274 390 G HA3 -0.342 3.617 3.960 -0.001 0.000 0.274 390 G C 0.886 175.890 174.900 0.174 0.000 1.159 390 G CA 0.333 45.599 45.100 0.276 0.000 0.969 390 G HN 0.264 nan 8.290 nan 0.000 0.554 391 R N 1.645 122.199 120.500 0.090 0.000 2.297 391 R HA 0.432 4.771 4.340 -0.001 0.000 0.197 391 R C 1.516 177.896 176.300 0.135 0.000 0.943 391 R CA 1.203 57.252 56.100 -0.085 0.000 1.038 391 R CB -0.157 29.684 30.300 -0.766 0.000 0.957 391 R HN 2.055 nan 8.270 nan 0.000 0.484 392 G N 0.443 109.282 108.800 0.065 0.000 2.681 392 G HA2 -0.089 3.870 3.960 -0.001 0.000 0.220 392 G HA3 -0.089 3.870 3.960 -0.001 0.000 0.220 392 G C -0.994 173.835 174.900 -0.118 0.000 1.353 392 G CA -0.500 44.420 45.100 -0.299 0.000 0.872 392 G HN 0.386 nan 8.290 nan 0.000 0.557 393 A N 0.108 122.713 122.820 -0.358 0.000 2.385 393 A HA 0.720 5.039 4.320 -0.001 0.000 0.290 393 A C -0.321 177.364 177.584 0.168 0.000 1.094 393 A CA -0.486 51.605 52.037 0.091 0.000 0.729 393 A CB 1.007 20.123 19.000 0.194 0.000 1.194 393 A HN 0.791 nan 8.150 nan 0.000 0.442 394 N N 1.841 120.734 118.700 0.322 0.000 2.456 394 N HA 0.784 5.524 4.740 -0.001 0.000 0.288 394 N C -0.940 174.772 175.510 0.337 0.000 1.059 394 N CA 0.301 53.521 53.050 0.284 0.000 0.946 394 N CB 1.488 40.135 38.487 0.266 0.000 1.150 394 N HN 0.646 nan 8.380 nan 0.000 0.479 395 F N -2.102 117.923 119.950 0.126 0.000 2.713 395 F HA 0.465 4.991 4.527 -0.001 0.000 0.311 395 F C -1.166 174.688 175.800 0.090 0.000 1.141 395 F CA -1.244 56.811 58.000 0.091 0.000 0.939 395 F CB 0.580 39.640 39.000 0.099 0.000 1.325 395 F HN -0.018 nan 8.300 nan 0.000 0.453 396 V N 2.674 122.742 119.914 0.257 0.000 2.353 396 V HA 0.179 4.298 4.120 -0.001 0.000 0.264 396 V C 0.081 176.345 176.094 0.283 0.000 1.049 396 V CA -0.357 62.028 62.300 0.142 0.000 0.896 396 V CB 0.078 31.960 31.823 0.100 0.000 1.025 396 V HN 0.848 nan 8.190 nan 0.000 0.475 397 H N 8.639 127.780 119.070 0.118 0.000 2.764 397 H HA 0.162 4.718 4.556 -0.001 0.000 0.341 397 H C -1.760 173.624 175.328 0.095 0.000 1.072 397 H CA -1.684 54.507 56.048 0.238 0.000 1.444 397 H CB 2.048 31.945 29.762 0.225 0.000 1.458 397 H HN 0.333 nan 8.280 nan 0.000 0.572 398 P HA -0.143 nan 4.420 nan 0.000 0.217 398 P C 1.217 178.555 177.300 0.065 0.000 1.148 398 P CA 2.269 65.356 63.100 -0.020 0.000 0.828 398 P CB 0.218 31.842 31.700 -0.126 0.000 0.783 399 T N -6.210 108.447 114.554 0.173 0.000 2.999 399 T HA 0.127 4.477 4.350 -0.001 0.000 0.247 399 T C 1.373 176.072 174.700 -0.001 0.000 1.012 399 T CA 0.061 62.169 62.100 0.014 0.000 1.048 399 T CB -0.801 67.962 68.868 -0.175 0.000 1.020 399 T HN -0.166 nan 8.240 nan 0.000 0.478 400 F N 2.696 122.724 119.950 0.129 0.000 2.569 400 F HA 0.520 5.047 4.527 -0.001 0.000 0.295 400 F C 1.946 177.553 175.800 -0.321 0.000 1.115 400 F CA 0.024 57.924 58.000 -0.166 0.000 1.450 400 F CB -0.608 38.121 39.000 -0.450 0.000 1.107 400 F HN 0.614 nan 8.300 nan 0.000 0.563 401 G N -0.231 108.485 108.800 -0.139 0.000 2.627 401 G HA2 -0.173 3.787 3.960 -0.001 0.000 0.214 401 G HA3 -0.173 3.787 3.960 -0.001 0.000 0.214 401 G C -2.861 171.859 174.900 -0.300 0.000 1.331 401 G CA -1.347 43.409 45.100 -0.574 0.000 0.891 401 G HN -0.070 nan 8.290 nan 0.000 0.539 402 P HA 0.397 nan 4.420 nan 0.000 0.263 402 P C 0.248 177.408 177.300 -0.232 0.000 1.195 402 P CA 0.651 63.638 63.100 -0.189 0.000 0.762 402 P CB 0.927 32.550 31.700 -0.129 0.000 0.799 403 V N 1.027 120.779 119.914 -0.270 0.000 3.130 403 V HA 0.734 4.854 4.120 -0.001 0.000 0.310 403 V C -1.689 174.327 176.094 -0.129 0.000 1.158 403 V CA -1.237 60.906 62.300 -0.262 0.000 1.029 403 V CB 2.414 34.004 31.823 -0.387 0.000 1.057 403 V HN 0.562 nan 8.190 nan 0.000 0.436 404 W N 1.619 122.813 121.300 -0.178 0.000 2.785 404 W HA 0.865 5.524 4.660 -0.001 0.000 0.333 404 W C -0.397 176.118 176.519 -0.007 0.000 1.062 404 W CA -0.173 57.154 57.345 -0.029 0.000 1.233 404 W CB 1.872 31.376 29.460 0.074 0.000 1.413 404 W HN 1.042 nan 8.180 nan 0.000 0.489 405 A N 3.422 126.044 122.820 -0.329 0.000 2.356 405 A HA 0.801 5.121 4.320 -0.001 0.000 0.323 405 A C -0.975 176.156 177.584 -0.754 0.000 1.119 405 A CA -0.541 51.309 52.037 -0.311 0.000 0.790 405 A CB 1.916 20.938 19.000 0.036 0.000 1.273 405 A HN 0.514 nan 8.150 nan 0.000 0.452 406 T N 0.016 114.297 114.554 -0.455 0.000 2.909 406 T HA 0.648 4.998 4.350 -0.001 0.000 0.299 406 T C 0.023 174.576 174.700 -0.244 0.000 1.073 406 T CA 0.184 62.032 62.100 -0.420 0.000 0.999 406 T CB 1.107 69.767 68.868 -0.346 0.000 1.098 406 T HN 1.448 nan 8.240 nan 0.000 0.477 407 S N 2.628 118.217 115.700 -0.185 0.000 2.745 407 S HA 0.774 5.243 4.470 -0.001 0.000 0.292 407 S C -0.927 173.540 174.600 -0.221 0.000 1.127 407 S CA -0.579 57.575 58.200 -0.077 0.000 1.007 407 S CB 0.822 64.033 63.200 0.018 0.000 1.165 407 S HN 0.824 nan 8.310 nan 0.000 0.544 408 H N -0.847 118.214 119.070 -0.015 0.000 2.768 408 H HA 0.479 5.034 4.556 -0.001 0.000 0.371 408 H C 0.429 175.746 175.328 -0.019 0.000 1.151 408 H CA -0.707 55.340 56.048 -0.001 0.000 1.165 408 H CB 1.507 31.259 29.762 -0.018 0.000 1.722 408 H HN 0.511 nan 8.280 nan 0.000 0.543 409 M N 0.944 120.593 119.600 0.081 0.000 2.288 409 M HA 0.033 4.513 4.480 -0.001 0.000 0.266 409 M C 1.880 178.191 176.300 0.019 0.000 1.072 409 M CA 1.605 56.903 55.300 -0.003 0.000 1.132 409 M CB 0.176 32.745 32.600 -0.052 0.000 1.386 409 M HN 0.855 nan 8.290 nan 0.000 0.432 410 G N 0.271 109.102 108.800 0.052 0.000 2.880 410 G HA2 0.027 3.986 3.960 -0.001 0.000 0.209 410 G HA3 0.027 3.986 3.960 -0.001 0.000 0.209 410 G C -0.259 174.642 174.900 0.002 0.000 1.157 410 G CA 0.239 45.350 45.100 0.018 0.000 0.779 410 G HN 0.548 nan 8.290 nan 0.000 0.539 411 D N -1.910 118.498 120.400 0.012 0.000 2.713 411 D HA 0.162 4.802 4.640 -0.001 0.000 0.306 411 D C -0.284 176.015 176.300 -0.001 0.000 1.299 411 D CA -0.488 53.498 54.000 -0.024 0.000 0.823 411 D CB 0.130 40.882 40.800 -0.080 0.000 1.353 411 D HN -0.052 nan 8.370 nan 0.000 0.447 412 D N -0.925 119.471 120.400 -0.008 0.000 2.319 412 D HA 0.089 4.729 4.640 -0.001 0.000 0.230 412 D C 0.088 176.400 176.300 0.019 0.000 1.094 412 D CA -0.139 53.871 54.000 0.017 0.000 0.856 412 D CB -0.464 40.357 40.800 0.034 0.000 0.915 412 D HN 0.404 nan 8.370 nan 0.000 0.517 413 S N -0.657 115.021 115.700 -0.037 0.000 2.610 413 S HA 0.505 4.974 4.470 -0.001 0.000 0.273 413 S C -0.081 174.529 174.600 0.018 0.000 1.274 413 S CA -0.832 57.321 58.200 -0.079 0.000 1.023 413 S CB 1.815 64.873 63.200 -0.238 0.000 0.962 413 S HN -0.025 nan 8.310 nan 0.000 0.523 414 V N 1.927 121.709 119.914 -0.219 0.000 2.409 414 V HA 0.759 4.879 4.120 -0.001 0.000 0.291 414 V C 0.267 176.066 176.094 -0.492 0.000 1.020 414 V CA -0.490 61.590 62.300 -0.366 0.000 0.848 414 V CB 0.974 32.395 31.823 -0.670 0.000 0.990 414 V HN 1.213 nan 8.190 nan 0.000 0.430 415 A N 6.028 128.736 122.820 -0.188 0.000 2.350 415 A HA 0.942 5.262 4.320 -0.001 0.000 0.324 415 A C -0.970 176.558 177.584 -0.093 0.000 1.118 415 A CA -0.612 51.351 52.037 -0.123 0.000 0.783 415 A CB 1.122 20.161 19.000 0.065 0.000 1.236 415 A HN 0.785 nan 8.150 nan 0.000 0.457 416 L N 2.648 123.829 121.223 -0.070 0.000 2.341 416 L HA 0.583 4.922 4.340 -0.001 0.000 0.278 416 L C -0.552 176.285 176.870 -0.055 0.000 1.005 416 L CA -0.339 54.481 54.840 -0.033 0.000 0.818 416 L CB 1.630 43.679 42.059 -0.016 0.000 1.259 416 L HN 0.711 nan 8.230 nan 0.000 0.418 417 I N 1.435 122.025 120.570 0.033 0.000 2.441 417 I HA 0.529 4.698 4.170 -0.001 0.000 0.295 417 I C 0.601 176.665 176.117 -0.088 0.000 0.994 417 I CA -0.361 60.946 61.300 0.011 0.000 1.144 417 I CB 1.791 39.885 38.000 0.156 0.000 1.314 417 I HN 0.669 nan 8.210 nan 0.000 0.445 418 G N 3.275 111.936 108.800 -0.232 0.000 2.398 418 G HA2 0.284 4.243 3.960 -0.001 0.000 0.246 418 G HA3 0.284 4.243 3.960 -0.001 0.000 0.246 418 G C 0.463 175.005 174.900 -0.596 0.000 1.289 418 G CA 0.150 45.029 45.100 -0.369 0.000 0.869 418 G HN 0.742 nan 8.290 nan 0.000 0.543 419 T N -1.206 113.008 114.554 -0.566 0.000 3.296 419 T HA 0.234 4.584 4.350 -0.001 0.000 0.285 419 T C -0.133 174.182 174.700 -0.641 0.000 1.014 419 T CA -0.402 61.245 62.100 -0.754 0.000 0.920 419 T CB 0.580 69.365 68.868 -0.139 0.000 1.143 419 T HN 0.357 nan 8.240 nan 0.000 0.522 420 D N 2.079 122.117 120.400 -0.604 0.000 2.441 420 D HA 0.339 4.979 4.640 -0.001 0.000 0.287 420 D C -1.714 174.413 176.300 -0.288 0.000 1.198 420 D CA -2.363 51.464 54.000 -0.289 0.000 0.894 420 D CB 1.787 42.541 40.800 -0.078 0.000 1.070 420 D HN 0.020 nan 8.370 nan 0.000 0.499 421 P HA -0.104 nan 4.420 nan 0.000 0.218 421 P C 0.977 178.235 177.300 -0.070 0.000 1.149 421 P CA 0.973 63.940 63.100 -0.222 0.000 0.817 421 P CB 0.695 32.337 31.700 -0.096 0.000 0.785 422 E N -0.661 119.532 120.200 -0.011 0.000 2.122 422 E HA 0.006 4.356 4.350 -0.001 0.000 0.190 422 E C 2.220 178.810 176.600 -0.017 0.000 0.977 422 E CA 1.110 57.515 56.400 0.008 0.000 0.820 422 E CB -0.467 29.259 29.700 0.043 0.000 0.770 422 E HN 0.275 nan 8.360 nan 0.000 0.462 423 G N -0.480 108.317 108.800 -0.005 0.000 2.719 423 G HA2 -0.049 3.911 3.960 -0.001 0.000 0.211 423 G HA3 -0.049 3.911 3.960 -0.001 0.000 0.211 423 G C 0.188 174.970 174.900 -0.196 0.000 1.140 423 G CA -0.030 45.040 45.100 -0.049 0.000 0.790 423 G HN 0.143 nan 8.290 nan 0.000 0.529 424 H N -0.118 118.899 119.070 -0.089 0.000 2.429 424 H HA 0.311 4.867 4.556 -0.001 0.000 0.231 424 H C -1.872 173.376 175.328 -0.134 0.000 1.416 424 H CA -1.366 54.628 56.048 -0.091 0.000 1.443 424 H CB 1.787 31.496 29.762 -0.089 0.000 1.591 424 H HN 0.054 nan 8.280 nan 0.000 0.507 425 P HA -0.159 nan 4.420 nan 0.000 0.215 425 P C 1.146 178.398 177.300 -0.079 0.000 1.157 425 P CA 1.198 64.254 63.100 -0.074 0.000 0.868 425 P CB 0.553 32.223 31.700 -0.050 0.000 0.788 426 D N -1.398 118.974 120.400 -0.046 0.000 2.219 426 D HA -0.089 4.550 4.640 -0.001 0.000 0.205 426 D C 1.412 177.669 176.300 -0.072 0.000 0.970 426 D CA 0.848 54.822 54.000 -0.042 0.000 0.851 426 D CB -0.620 40.171 40.800 -0.015 0.000 0.943 426 D HN 0.099 nan 8.370 nan 0.000 0.488 427 N N 0.347 118.997 118.700 -0.082 0.000 2.463 427 N HA 0.043 4.782 4.740 -0.001 0.000 0.181 427 N C 0.257 175.603 175.510 -0.274 0.000 1.078 427 N CA 0.076 53.036 53.050 -0.151 0.000 0.902 427 N CB 0.021 38.441 38.487 -0.112 0.000 0.970 427 N HN 0.015 nan 8.380 nan 0.000 0.451 428 A N 0.107 122.715 122.820 -0.353 0.000 2.492 428 A HA 0.190 4.510 4.320 -0.001 0.000 0.254 428 A C -0.123 177.122 177.584 -0.566 0.000 1.091 428 A CA -0.233 51.366 52.037 -0.730 0.000 0.768 428 A CB -0.648 17.832 19.000 -0.868 0.000 1.028 428 A HN 0.510 nan 8.150 nan 0.000 0.498 429 W N 0.533 121.732 121.300 -0.168 0.000 4.141 429 W HA -0.186 4.473 4.660 -0.001 0.000 0.336 429 W C 0.205 176.648 176.519 -0.127 0.000 1.258 429 W CA 0.552 57.800 57.345 -0.162 0.000 0.747 429 W CB -1.274 28.081 29.460 -0.175 0.000 2.338 429 W HN 0.542 nan 8.180 nan 0.000 1.410 430 K N 0.754 121.136 120.400 -0.030 0.000 2.259 430 K HA 0.438 4.758 4.320 -0.001 0.000 0.249 430 K C 0.210 176.752 176.600 -0.096 0.000 0.942 430 K CA -1.091 55.162 56.287 -0.056 0.000 0.816 430 K CB 1.479 33.919 32.500 -0.100 0.000 1.155 430 K HN -0.187 nan 8.250 nan 0.000 0.428 431 I N 4.692 125.218 120.570 -0.074 0.000 2.421 431 I HA 0.000 4.170 4.170 -0.001 0.000 0.291 431 I C 1.493 177.497 176.117 -0.188 0.000 1.089 431 I CA 0.238 61.481 61.300 -0.095 0.000 1.354 431 I CB -0.296 37.678 38.000 -0.042 0.000 1.413 431 I HN 0.476 nan 8.210 nan 0.000 0.513 432 L N 3.901 124.926 121.223 -0.331 0.000 2.354 432 L HA 0.189 4.529 4.340 -0.001 0.000 0.212 432 L C 0.386 176.990 176.870 -0.444 0.000 1.091 432 L CA 0.679 55.145 54.840 -0.623 0.000 0.828 432 L CB -0.032 41.244 42.059 -1.305 0.000 0.973 432 L HN 0.566 nan 8.230 nan 0.000 0.461 433 D N -1.528 118.752 120.400 -0.199 0.000 2.648 433 D HA 0.365 5.004 4.640 -0.001 0.000 0.244 433 D C -1.540 174.768 176.300 0.013 0.000 1.244 433 D CA -0.159 53.874 54.000 0.054 0.000 0.772 433 D CB 2.274 43.269 40.800 0.324 0.000 1.379 433 D HN -0.228 nan 8.370 nan 0.000 0.428 434 S N 1.322 117.060 115.700 0.063 0.000 2.572 434 S HA 0.797 5.266 4.470 -0.001 0.000 0.274 434 S C -1.716 172.909 174.600 0.042 0.000 1.150 434 S CA -0.664 57.473 58.200 -0.105 0.000 0.944 434 S CB 0.097 63.257 63.200 -0.067 0.000 1.071 434 S HN 0.356 nan 8.310 nan 0.000 0.479 435 F N 1.970 121.940 119.950 0.033 0.000 2.668 435 F HA 0.834 5.361 4.527 -0.001 0.000 0.309 435 F C -3.060 172.795 175.800 0.092 0.000 1.117 435 F CA -2.231 55.811 58.000 0.069 0.000 0.951 435 F CB 0.713 39.761 39.000 0.079 0.000 1.323 435 F HN 0.288 nan 8.300 nan 0.000 0.451 436 P HA 0.527 nan 4.420 nan 0.000 0.282 436 P C -0.975 176.603 177.300 0.462 0.000 1.249 436 P CA 0.039 63.327 63.100 0.313 0.000 0.806 436 P CB 1.952 33.814 31.700 0.270 0.000 0.984 437 A N 2.394 125.332 122.820 0.196 0.000 3.981 437 A HA 0.440 4.760 4.320 -0.001 0.000 0.153 437 A C 1.586 178.955 177.584 -0.357 0.000 1.090 437 A CA -0.470 51.466 52.037 -0.168 0.000 0.990 437 A CB -0.570 18.436 19.000 0.010 0.000 1.553 437 A HN 0.446 nan 8.150 nan 0.000 0.696 438 L N -0.533 120.458 121.223 -0.387 0.000 2.093 438 L HA 0.255 4.595 4.340 -0.001 0.000 0.208 438 L C 1.263 178.119 176.870 -0.024 0.000 1.085 438 L CA 1.252 55.988 54.840 -0.173 0.000 0.755 438 L CB -0.297 41.670 42.059 -0.152 0.000 0.904 438 L HN 0.939 nan 8.230 nan 0.000 0.435 439 G N -2.101 106.683 108.800 -0.025 0.000 2.315 439 G HA2 0.333 4.293 3.960 -0.001 0.000 0.294 439 G HA3 0.333 4.293 3.960 -0.001 0.000 0.294 439 G C -0.751 174.148 174.900 -0.003 0.000 1.300 439 G CA -0.432 44.668 45.100 0.000 0.000 0.843 439 G HN 0.125 nan 8.290 nan 0.000 0.527 440 G N -1.734 107.065 108.800 -0.002 0.000 2.667 440 G HA2 0.562 4.522 3.960 -0.001 0.000 0.250 440 G HA3 0.562 4.522 3.960 -0.001 0.000 0.250 440 G C 1.300 176.194 174.900 -0.011 0.000 1.212 440 G CA 1.255 46.354 45.100 -0.002 0.000 0.874 440 G HN 2.389 nan 8.290 nan 0.000 0.561 441 G N -1.586 107.204 108.800 -0.016 0.000 2.132 441 G HA2 -0.156 3.803 3.960 -0.001 0.000 0.234 441 G HA3 -0.156 3.803 3.960 -0.001 0.000 0.234 441 G C 0.573 175.446 174.900 -0.045 0.000 0.989 441 G CA 0.700 45.780 45.100 -0.035 0.000 0.676 441 G HN 1.352 nan 8.290 nan 0.000 0.522 442 S N -0.814 114.866 115.700 -0.034 0.000 2.565 442 S HA 0.671 5.141 4.470 -0.001 0.000 0.276 442 S C 1.525 176.041 174.600 -0.140 0.000 1.326 442 S CA -0.053 58.127 58.200 -0.035 0.000 1.045 442 S CB 0.892 64.099 63.200 0.011 0.000 0.918 442 S HN 0.410 nan 8.310 nan 0.000 0.505 443 L N 2.599 123.713 121.223 -0.182 0.000 2.624 443 L HA 0.459 4.799 4.340 -0.001 0.000 0.222 443 L C -0.813 175.700 176.870 -0.596 0.000 1.046 443 L CA 0.151 54.665 54.840 -0.543 0.000 0.872 443 L CB 0.279 41.936 42.059 -0.670 0.000 1.190 443 L HN 0.515 nan 8.230 nan 0.000 0.487 444 F N -0.109 119.950 119.950 0.181 0.000 2.569 444 F HA 0.501 5.027 4.527 -0.001 0.000 0.312 444 F C -0.458 175.445 175.800 0.173 0.000 1.109 444 F CA -0.691 57.418 58.000 0.182 0.000 0.919 444 F CB 2.252 41.354 39.000 0.169 0.000 1.211 444 F HN -0.292 nan 8.300 nan 0.000 0.446 445 I N 3.010 123.768 120.570 0.314 0.000 2.530 445 I HA 0.673 4.843 4.170 -0.001 0.000 0.297 445 I C -1.254 175.047 176.117 0.306 0.000 1.011 445 I CA -0.611 60.848 61.300 0.265 0.000 1.107 445 I CB 1.573 39.644 38.000 0.117 0.000 1.285 445 I HN 0.593 nan 8.210 nan 0.000 0.436 446 K N 3.659 124.298 120.400 0.399 0.000 2.542 446 K HA 0.645 4.965 4.320 -0.001 0.000 0.259 446 K C -1.174 175.799 176.600 0.620 0.000 0.932 446 K CA -0.436 56.127 56.287 0.461 0.000 0.820 446 K CB 2.145 34.896 32.500 0.419 0.000 1.345 446 K HN 0.651 nan 8.250 nan 0.000 0.432 447 T N 0.552 115.432 114.554 0.543 0.000 2.671 447 T HA 0.492 4.841 4.350 -0.001 0.000 0.300 447 T C -2.165 172.535 174.700 -0.001 0.000 1.238 447 T CA -0.453 61.899 62.100 0.420 0.000 1.020 447 T CB 0.769 69.811 68.868 0.291 0.000 1.503 447 T HN 0.572 nan 8.240 nan 0.000 0.497 448 H N 0.125 118.954 119.070 -0.401 0.000 3.046 448 H HA 0.346 4.902 4.556 -0.001 0.000 0.363 448 H C -2.442 172.760 175.328 -0.210 0.000 1.203 448 H CA -1.457 54.289 56.048 -0.504 0.000 1.169 448 H CB 2.445 31.454 29.762 -1.254 0.000 1.851 448 H HN 0.319 nan 8.280 nan 0.000 0.546 449 P HA -0.090 nan 4.420 nan 0.000 0.219 449 P C 0.641 177.986 177.300 0.075 0.000 1.146 449 P CA 1.075 64.110 63.100 -0.108 0.000 0.808 449 P CB 0.413 32.003 31.700 -0.185 0.000 0.779 450 N N -1.600 117.289 118.700 0.315 0.000 2.336 450 N HA 0.026 4.765 4.740 -0.001 0.000 0.189 450 N C 0.442 176.034 175.510 0.137 0.000 1.113 450 N CA 0.415 53.589 53.050 0.207 0.000 0.858 450 N CB -0.035 38.573 38.487 0.201 0.000 0.970 450 N HN 0.063 nan 8.380 nan 0.000 0.471 451 S N 0.250 116.025 115.700 0.125 0.000 2.608 451 S HA 0.199 4.668 4.470 -0.001 0.000 0.291 451 S C 0.834 175.440 174.600 0.010 0.000 1.146 451 S CA -0.637 57.645 58.200 0.137 0.000 1.043 451 S CB 1.300 64.673 63.200 0.289 0.000 1.037 451 S HN 0.299 nan 8.310 nan 0.000 0.520 452 Q N 1.853 121.546 119.800 -0.177 0.000 2.247 452 Q HA 0.216 4.555 4.340 -0.001 0.000 0.204 452 Q C -1.056 174.668 176.000 -0.460 0.000 0.872 452 Q CA -0.043 55.541 55.803 -0.365 0.000 0.951 452 Q CB 0.006 28.448 28.738 -0.493 0.000 1.099 452 Q HN 0.639 nan 8.270 nan 0.000 0.501 453 Y N 0.618 120.971 120.300 0.088 0.000 2.446 453 Y HA 0.527 5.076 4.550 -0.001 0.000 0.338 453 Y C -0.762 175.172 175.900 0.057 0.000 1.055 453 Y CA -1.767 56.333 58.100 -0.000 0.000 1.101 453 Y CB 1.708 40.099 38.460 -0.114 0.000 1.221 453 Y HN 0.047 nan 8.280 nan 0.000 0.460 454 L N 3.631 124.946 121.223 0.153 0.000 2.316 454 L HA 0.524 4.864 4.340 -0.001 0.000 0.280 454 L C -1.905 175.129 176.870 0.273 0.000 1.006 454 L CA -0.811 54.170 54.840 0.235 0.000 0.836 454 L CB 0.151 42.277 42.059 0.112 0.000 1.221 454 L HN 0.450 nan 8.230 nan 0.000 0.418 455 Y N 4.157 124.691 120.300 0.390 0.000 2.330 455 Y HA 0.661 5.210 4.550 -0.001 0.000 0.336 455 Y C -0.152 175.943 175.900 0.325 0.000 1.036 455 Y CA -0.757 57.558 58.100 0.359 0.000 1.125 455 Y CB 1.799 40.537 38.460 0.464 0.000 1.194 455 Y HN 0.269 nan 8.280 nan 0.000 0.469 456 V N 3.799 123.928 119.914 0.358 0.000 2.525 456 V HA 0.273 4.392 4.120 -0.001 0.000 0.299 456 V C -0.608 175.576 176.094 0.150 0.000 1.034 456 V CA -1.072 61.384 62.300 0.260 0.000 0.863 456 V CB 1.422 33.383 31.823 0.230 0.000 0.999 456 V HN 0.811 nan 8.190 nan 0.000 0.423 457 D N 3.955 124.466 120.400 0.186 0.000 2.451 457 D HA 0.693 5.333 4.640 -0.001 0.000 0.259 457 D C 0.238 176.570 176.300 0.052 0.000 1.201 457 D CA -0.462 53.603 54.000 0.109 0.000 1.028 457 D CB 1.704 42.632 40.800 0.213 0.000 1.095 457 D HN 0.711 nan 8.370 nan 0.000 0.539 458 A N -0.602 122.233 122.820 0.026 0.000 3.165 458 A HA 0.310 4.630 4.320 -0.001 0.000 0.212 458 A C 1.004 178.594 177.584 0.010 0.000 0.935 458 A CA -0.419 51.619 52.037 0.001 0.000 1.100 458 A CB -0.613 18.369 19.000 -0.030 0.000 1.260 458 A HN 0.455 nan 8.150 nan 0.000 0.532 459 T N 0.754 115.338 114.554 0.050 0.000 2.653 459 T HA -0.184 4.165 4.350 -0.001 0.000 0.268 459 T C 1.447 176.168 174.700 0.035 0.000 1.035 459 T CA 1.938 64.089 62.100 0.085 0.000 1.154 459 T CB -0.312 68.665 68.868 0.183 0.000 0.862 459 T HN 0.486 nan 8.240 nan 0.000 0.441 460 L N 0.803 122.031 121.223 0.007 0.000 2.611 460 L HA 0.207 4.546 4.340 -0.001 0.000 0.229 460 L C 1.089 177.940 176.870 -0.032 0.000 1.137 460 L CA -0.359 54.470 54.840 -0.019 0.000 0.901 460 L CB -0.515 41.529 42.059 -0.025 0.000 1.098 460 L HN 0.236 nan 8.230 nan 0.000 0.456 461 N N 2.097 120.780 118.700 -0.028 0.000 2.454 461 N HA 0.008 4.748 4.740 -0.001 0.000 0.254 461 N C -1.528 173.958 175.510 -0.040 0.000 1.228 461 N CA -0.858 52.173 53.050 -0.031 0.000 0.900 461 N CB 1.542 40.011 38.487 -0.029 0.000 1.089 461 N HN -0.075 nan 8.380 nan 0.000 0.449 462 P HA 0.013 nan 4.420 nan 0.000 0.225 462 P C -0.545 176.729 177.300 -0.044 0.000 1.156 462 P CA 0.950 64.023 63.100 -0.044 0.000 0.787 462 P CB 0.314 31.990 31.700 -0.040 0.000 0.802 463 E N -0.203 119.973 120.200 -0.039 0.000 2.223 463 E HA 0.337 4.687 4.350 -0.001 0.000 0.282 463 E C 1.278 177.851 176.600 -0.045 0.000 1.046 463 E CA -0.132 56.245 56.400 -0.038 0.000 0.857 463 E CB 0.595 30.277 29.700 -0.031 0.000 1.055 463 E HN -0.019 nan 8.360 nan 0.000 0.409 464 A N 3.572 126.363 122.820 -0.048 0.000 1.933 464 A HA -0.241 4.079 4.320 -0.001 0.000 0.218 464 A C 1.972 179.521 177.584 -0.059 0.000 1.175 464 A CA 1.625 53.630 52.037 -0.055 0.000 0.628 464 A CB -0.273 18.695 19.000 -0.053 0.000 0.814 464 A HN 0.625 nan 8.150 nan 0.000 0.444 465 E N 0.194 120.361 120.200 -0.056 0.000 2.110 465 E HA -0.128 4.222 4.350 -0.001 0.000 0.193 465 E C 1.666 178.224 176.600 -0.071 0.000 0.988 465 E CA 1.416 57.777 56.400 -0.065 0.000 0.804 465 E CB -0.296 29.372 29.700 -0.054 0.000 0.745 465 E HN 0.683 nan 8.360 nan 0.000 0.458 466 I N 0.044 120.580 120.570 -0.057 0.000 2.333 466 I HA -0.184 3.986 4.170 -0.001 0.000 0.246 466 I C 2.302 178.381 176.117 -0.063 0.000 1.106 466 I CA 1.098 62.364 61.300 -0.056 0.000 1.411 466 I CB -0.356 37.622 38.000 -0.037 0.000 1.082 466 I HN 0.145 nan 8.210 nan 0.000 0.420 467 S N 0.726 116.394 115.700 -0.054 0.000 2.447 467 S HA -0.050 4.419 4.470 -0.001 0.000 0.233 467 S C 1.843 176.412 174.600 -0.050 0.000 1.006 467 S CA 0.937 59.111 58.200 -0.044 0.000 0.957 467 S CB -0.714 62.461 63.200 -0.042 0.000 0.773 467 S HN 0.463 nan 8.310 nan 0.000 0.507 468 G N 0.185 108.941 108.800 -0.075 0.000 3.284 468 G HA2 0.502 4.462 3.960 -0.001 0.000 0.236 468 G HA3 0.502 4.462 3.960 -0.001 0.000 0.236 468 G C -0.042 174.764 174.900 -0.156 0.000 1.158 468 G CA -0.299 44.745 45.100 -0.093 0.000 0.774 468 G HN 0.466 nan 8.290 nan 0.000 0.545 469 S N -1.473 114.128 115.700 -0.166 0.000 2.667 469 S HA 0.744 5.213 4.470 -0.001 0.000 0.292 469 S C -0.973 173.482 174.600 -0.242 0.000 1.126 469 S CA -0.525 57.534 58.200 -0.236 0.000 0.881 469 S CB 2.634 65.713 63.200 -0.202 0.000 1.132 469 S HN -0.030 nan 8.310 nan 0.000 0.492 470 V N 0.926 120.658 119.914 -0.304 0.000 2.876 470 V HA 0.806 4.926 4.120 -0.001 0.000 0.312 470 V C -0.277 175.693 176.094 -0.207 0.000 1.085 470 V CA -0.831 61.307 62.300 -0.269 0.000 0.945 470 V CB 1.826 33.360 31.823 -0.481 0.000 1.017 470 V HN 1.039 nan 8.190 nan 0.000 0.428 471 A N 3.365 126.065 122.820 -0.200 0.000 2.306 471 A HA 0.845 5.164 4.320 -0.001 0.000 0.314 471 A C -0.769 176.667 177.584 -0.247 0.000 1.164 471 A CA -0.446 51.396 52.037 -0.326 0.000 0.822 471 A CB 1.134 19.673 19.000 -0.768 0.000 1.130 471 A HN 0.819 nan 8.150 nan 0.000 0.496 472 V N 2.474 122.200 119.914 -0.312 0.000 2.482 472 V HA 0.421 4.541 4.120 -0.001 0.000 0.295 472 V C -1.069 174.841 176.094 -0.307 0.000 1.026 472 V CA -0.274 61.825 62.300 -0.336 0.000 0.856 472 V CB 0.788 32.327 31.823 -0.473 0.000 1.001 472 V HN 0.724 nan 8.190 nan 0.000 0.424 473 F N 1.927 121.885 119.950 0.014 0.000 2.397 473 F HA 0.486 5.012 4.527 -0.001 0.000 0.331 473 F C 0.542 176.406 175.800 0.107 0.000 1.090 473 F CA -0.518 57.525 58.000 0.071 0.000 1.065 473 F CB 1.237 40.277 39.000 0.067 0.000 1.184 473 F HN 0.425 nan 8.300 nan 0.000 0.499 474 D N 3.115 123.682 120.400 0.277 0.000 2.428 474 D HA 0.229 4.868 4.640 -0.001 0.000 0.221 474 D C 1.093 177.389 176.300 -0.007 0.000 1.123 474 D CA 0.088 54.196 54.000 0.180 0.000 0.869 474 D CB 0.503 41.408 40.800 0.175 0.000 1.032 474 D HN 0.491 nan 8.370 nan 0.000 0.506 475 I N 3.050 123.542 120.570 -0.130 0.000 2.264 475 I HA -0.284 3.886 4.170 -0.001 0.000 0.248 475 I C 2.243 178.256 176.117 -0.172 0.000 1.111 475 I CA 0.974 62.138 61.300 -0.227 0.000 1.382 475 I CB 0.018 37.801 38.000 -0.363 0.000 1.060 475 I HN 0.326 nan 8.210 nan 0.000 0.418 476 K N 0.707 121.016 120.400 -0.152 0.000 2.209 476 K HA -0.100 4.220 4.320 -0.001 0.000 0.204 476 K C 1.945 178.485 176.600 -0.100 0.000 1.048 476 K CA 1.381 57.598 56.287 -0.117 0.000 0.940 476 K CB -0.157 32.279 32.500 -0.106 0.000 0.729 476 K HN 0.338 nan 8.250 nan 0.000 0.451 477 A N 0.672 123.444 122.820 -0.081 0.000 2.251 477 A HA 0.118 4.437 4.320 -0.001 0.000 0.209 477 A C 0.727 178.260 177.584 -0.085 0.000 1.187 477 A CA -0.063 51.938 52.037 -0.060 0.000 0.823 477 A CB -0.188 18.799 19.000 -0.021 0.000 0.846 477 A HN 0.134 nan 8.150 nan 0.000 0.486 478 M N 0.660 120.173 119.600 -0.144 0.000 2.219 478 M HA 0.116 4.595 4.480 -0.001 0.000 0.353 478 M C 1.353 177.544 176.300 -0.181 0.000 1.304 478 M CA 0.656 55.850 55.300 -0.177 0.000 1.115 478 M CB 0.852 33.278 32.600 -0.290 0.000 1.664 478 M HN 0.390 nan 8.290 nan 0.000 0.459 479 T N -2.293 112.221 114.554 -0.066 0.000 2.975 479 T HA 0.249 4.599 4.350 -0.001 0.000 0.257 479 T C 1.209 175.878 174.700 -0.051 0.000 1.003 479 T CA 0.306 62.374 62.100 -0.054 0.000 0.932 479 T CB 0.122 68.969 68.868 -0.035 0.000 1.087 479 T HN 0.990 nan 8.240 nan 0.000 0.512 480 G N 3.548 112.360 108.800 0.021 0.000 2.356 480 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.296 480 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.296 480 G C 0.290 175.179 174.900 -0.018 0.000 1.022 480 G CA 0.565 45.596 45.100 -0.116 0.000 0.961 480 G HN 0.785 nan 8.290 nan 0.000 0.510 481 D N -1.474 118.949 120.400 0.038 0.000 2.339 481 D HA 0.355 4.995 4.640 -0.001 0.000 0.217 481 D C 1.820 178.169 176.300 0.081 0.000 1.050 481 D CA 0.615 54.642 54.000 0.044 0.000 0.856 481 D CB -0.292 40.522 40.800 0.024 0.000 0.922 481 D HN 1.462 nan 8.370 nan 0.000 0.518 482 G N 0.273 109.148 108.800 0.125 0.000 2.254 482 G HA2 -0.288 3.672 3.960 -0.001 0.000 0.225 482 G HA3 -0.288 3.672 3.960 -0.001 0.000 0.225 482 G C 0.543 175.514 174.900 0.118 0.000 1.003 482 G CA 0.336 45.516 45.100 0.133 0.000 0.622 482 G HN 0.838 nan 8.290 nan 0.000 0.507 483 S N 0.552 116.305 115.700 0.089 0.000 2.606 483 S HA 0.493 4.963 4.470 -0.001 0.000 0.257 483 S C -0.354 174.299 174.600 0.087 0.000 1.327 483 S CA 0.284 58.529 58.200 0.075 0.000 0.984 483 S CB 1.193 64.420 63.200 0.045 0.000 0.941 483 S HN 0.208 nan 8.310 nan 0.000 0.576 484 D N 2.335 122.788 120.400 0.087 0.000 2.232 484 D HA 0.455 5.094 4.640 -0.001 0.000 0.242 484 D C -2.363 173.953 176.300 0.026 0.000 1.093 484 D CA -1.306 52.754 54.000 0.101 0.000 0.845 484 D CB 0.925 41.839 40.800 0.190 0.000 1.124 484 D HN 0.392 nan 8.370 nan 0.000 0.467 485 P HA 0.056 nan 4.420 nan 0.000 0.268 485 P C 0.021 177.422 177.300 0.168 0.000 1.204 485 P CA -0.005 63.058 63.100 -0.063 0.000 0.768 485 P CB 0.857 32.371 31.700 -0.310 0.000 0.842 486 E N 1.646 121.894 120.200 0.080 0.000 2.392 486 E HA 0.352 4.701 4.350 -0.001 0.000 0.259 486 E C -0.307 176.273 176.600 -0.033 0.000 1.108 486 E CA -0.154 56.225 56.400 -0.035 0.000 0.916 486 E CB 0.284 29.915 29.700 -0.116 0.000 0.989 486 E HN 0.426 nan 8.360 nan 0.000 0.432 487 F N -1.158 118.632 119.950 -0.266 0.000 2.603 487 F HA 0.530 5.057 4.527 -0.001 0.000 0.317 487 F C -0.503 175.099 175.800 -0.330 0.000 1.066 487 F CA -1.427 56.246 58.000 -0.545 0.000 0.941 487 F CB 0.956 39.275 39.000 -1.135 0.000 1.291 487 F HN 0.099 nan 8.300 nan 0.000 0.472 488 K N 0.942 121.274 120.400 -0.114 0.000 2.143 488 K HA 0.509 4.829 4.320 -0.001 0.000 0.272 488 K C -1.033 175.559 176.600 -0.014 0.000 1.001 488 K CA -0.377 55.845 56.287 -0.109 0.000 0.915 488 K CB 1.344 33.761 32.500 -0.139 0.000 1.047 488 K HN 0.890 nan 8.250 nan 0.000 0.458 489 T N 5.012 119.545 114.554 -0.035 0.000 2.749 489 T HA 0.325 4.675 4.350 -0.001 0.000 0.287 489 T C -0.312 174.274 174.700 -0.190 0.000 0.970 489 T CA -0.602 61.466 62.100 -0.053 0.000 0.980 489 T CB 0.328 69.186 68.868 -0.015 0.000 0.924 489 T HN 0.408 nan 8.240 nan 0.000 0.456 490 L N 6.364 127.415 121.223 -0.286 0.000 2.264 490 L HA 0.380 4.719 4.340 -0.001 0.000 0.289 490 L C -1.858 174.592 176.870 -0.699 0.000 1.044 490 L CA -2.253 52.262 54.840 -0.542 0.000 0.807 490 L CB 1.200 42.979 42.059 -0.466 0.000 1.192 490 L HN 0.356 nan 8.230 nan 0.000 0.425 491 P HA 0.107 nan 4.420 nan 0.000 0.225 491 P C 0.926 177.712 177.300 -0.857 0.000 1.813 491 P CA -0.313 62.338 63.100 -0.749 0.000 1.013 491 P CB 0.303 31.631 31.700 -0.620 0.000 1.961 492 I N 1.498 121.696 120.570 -0.620 0.000 2.163 492 I HA -0.235 3.934 4.170 -0.001 0.000 0.243 492 I C 2.339 178.378 176.117 -0.129 0.000 1.085 492 I CA 1.615 62.714 61.300 -0.336 0.000 1.347 492 I CB -1.900 35.933 38.000 -0.279 0.000 1.044 492 I HN 0.155 nan 8.210 nan 0.000 0.408 493 A N 0.296 123.035 122.820 -0.135 0.000 1.902 493 A HA -0.237 4.082 4.320 -0.001 0.000 0.217 493 A C 2.383 179.943 177.584 -0.041 0.000 1.181 493 A CA 1.749 53.750 52.037 -0.060 0.000 0.623 493 A CB -0.703 18.259 19.000 -0.063 0.000 0.818 493 A HN 0.542 nan 8.150 nan 0.000 0.443 494 E N -1.246 118.901 120.200 -0.089 0.000 2.110 494 E HA -0.226 4.123 4.350 -0.001 0.000 0.193 494 E C 1.687 178.343 176.600 0.093 0.000 0.988 494 E CA 1.276 57.654 56.400 -0.036 0.000 0.804 494 E CB -0.223 29.421 29.700 -0.094 0.000 0.745 494 E HN 0.760 nan 8.360 nan 0.000 0.458 495 W N 0.425 121.682 121.300 -0.071 0.000 2.374 495 W HA -0.005 4.654 4.660 -0.001 0.000 0.288 495 W C 2.305 178.767 176.519 -0.096 0.000 1.218 495 W CA 1.100 58.396 57.345 -0.082 0.000 1.245 495 W CB -0.836 28.571 29.460 -0.088 0.000 1.126 495 W HN 0.192 nan 8.180 nan 0.000 0.545 496 A N -0.576 122.326 122.820 0.137 0.000 2.167 496 A HA 0.354 4.674 4.320 -0.001 0.000 0.214 496 A C 1.842 179.428 177.584 0.004 0.000 1.151 496 A CA 1.294 53.348 52.037 0.028 0.000 0.735 496 A CB -0.794 18.212 19.000 0.011 0.000 0.802 496 A HN 0.568 nan 8.150 nan 0.000 0.467 497 G N -0.973 107.841 108.800 0.023 0.000 2.160 497 G HA2 -0.215 3.744 3.960 -0.001 0.000 0.244 497 G HA3 -0.215 3.744 3.960 -0.001 0.000 0.244 497 G C -0.057 174.840 174.900 -0.006 0.000 1.022 497 G CA 0.392 45.494 45.100 0.004 0.000 0.741 497 G HN 0.516 nan 8.290 nan 0.000 0.508 498 I N 0.958 121.525 120.570 -0.005 0.000 2.382 498 I HA 0.479 4.649 4.170 -0.001 0.000 0.286 498 I C 1.194 177.300 176.117 -0.018 0.000 1.002 498 I CA -0.035 61.258 61.300 -0.011 0.000 1.135 498 I CB 1.930 39.927 38.000 -0.006 0.000 1.288 498 I HN 0.222 nan 8.210 nan 0.000 0.448 499 T N -0.032 114.510 114.554 -0.020 0.000 2.980 499 T HA 0.090 4.439 4.350 -0.001 0.000 0.252 499 T C 0.555 175.239 174.700 -0.027 0.000 0.962 499 T CA -0.333 61.751 62.100 -0.027 0.000 0.932 499 T CB -0.056 68.796 68.868 -0.026 0.000 1.188 499 T HN 0.615 nan 8.240 nan 0.000 0.500 500 E N 2.297 122.484 120.200 -0.021 0.000 2.481 500 E HA 0.366 4.715 4.350 -0.001 0.000 0.263 500 E C 1.139 177.724 176.600 -0.026 0.000 0.992 500 E CA 0.343 56.731 56.400 -0.021 0.000 0.938 500 E CB -0.345 29.347 29.700 -0.014 0.000 0.933 500 E HN 0.612 nan 8.360 nan 0.000 0.453 501 G N 3.507 112.289 108.800 -0.029 0.000 2.550 501 G HA2 -0.356 3.604 3.960 -0.001 0.000 0.277 501 G HA3 -0.356 3.604 3.960 -0.001 0.000 0.277 501 G C -0.306 174.562 174.900 -0.054 0.000 1.190 501 G CA 0.415 45.492 45.100 -0.039 0.000 0.971 501 G HN 0.676 nan 8.290 nan 0.000 0.559 502 Q N 1.359 121.115 119.800 -0.074 0.000 3.244 502 Q HA 0.361 4.700 4.340 -0.001 0.000 0.249 502 Q C -2.638 173.290 176.000 -0.120 0.000 0.951 502 Q CA -1.466 54.278 55.803 -0.098 0.000 0.740 502 Q CB 2.531 31.198 28.738 -0.119 0.000 1.334 502 Q HN 0.520 nan 8.270 nan 0.000 0.448 503 P HA 0.119 nan 4.420 nan 0.000 0.276 503 P C -0.734 176.531 177.300 -0.057 0.000 1.235 503 P CA -0.106 62.961 63.100 -0.055 0.000 0.772 503 P CB 0.852 32.538 31.700 -0.023 0.000 0.871 504 R N 2.024 122.504 120.500 -0.033 0.000 2.476 504 R HA 0.443 4.782 4.340 -0.001 0.000 0.305 504 R C -0.695 175.699 176.300 0.158 0.000 0.965 504 R CA -1.067 55.042 56.100 0.016 0.000 0.867 504 R CB 1.915 32.173 30.300 -0.069 0.000 1.176 504 R HN 0.254 nan 8.270 nan 0.000 0.447 505 V N 4.002 123.979 119.914 0.104 0.000 2.530 505 V HA 0.271 4.390 4.120 -0.001 0.000 0.282 505 V C -0.038 176.186 176.094 0.217 0.000 1.048 505 V CA -0.206 62.174 62.300 0.132 0.000 0.997 505 V CB 1.462 33.286 31.823 0.002 0.000 0.987 505 V HN 0.476 nan 8.190 nan 0.000 0.477 506 V N 5.609 125.694 119.914 0.285 0.000 2.932 506 V HA 0.534 4.653 4.120 -0.001 0.000 0.307 506 V C -0.488 175.771 176.094 0.275 0.000 1.147 506 V CA -0.351 62.146 62.300 0.329 0.000 0.951 506 V CB 1.731 33.762 31.823 0.347 0.000 1.031 506 V HN 1.072 nan 8.190 nan 0.000 0.426 507 Q N 3.267 123.256 119.800 0.315 0.000 2.588 507 Q HA -0.128 4.212 4.340 -0.001 0.000 0.234 507 Q C -0.094 175.842 176.000 -0.107 0.000 1.382 507 Q CA 0.788 56.589 55.803 -0.002 0.000 0.700 507 Q CB -0.876 27.495 28.738 -0.613 0.000 0.808 507 Q HN 1.474 nan 8.270 nan 0.000 0.310 508 G N 3.112 111.850 108.800 -0.104 0.000 2.432 508 G HA2 0.378 4.337 3.960 -0.001 0.000 0.257 508 G HA3 0.378 4.337 3.960 -0.001 0.000 0.257 508 G C -0.578 174.071 174.900 -0.418 0.000 1.238 508 G CA 0.171 44.842 45.100 -0.715 0.000 0.838 508 G HN 0.550 nan 8.290 nan 0.000 0.547 509 E N 0.930 120.851 120.200 -0.466 0.000 2.278 509 E HA 0.513 4.863 4.350 -0.001 0.000 0.272 509 E C -1.338 175.179 176.600 -0.140 0.000 0.890 509 E CA -0.706 55.576 56.400 -0.197 0.000 0.770 509 E CB 0.918 30.493 29.700 -0.208 0.000 1.212 509 E HN 0.240 nan 8.360 nan 0.000 0.415 510 F N 2.844 122.772 119.950 -0.036 0.000 2.370 510 F HA 0.358 4.884 4.527 -0.001 0.000 0.324 510 F C 1.282 177.082 175.800 0.001 0.000 1.116 510 F CA -0.398 57.611 58.000 0.016 0.000 1.123 510 F CB 0.650 39.671 39.000 0.034 0.000 1.238 510 F HN 0.536 nan 8.300 nan 0.000 0.536 511 N N 1.073 119.962 118.700 0.316 0.000 2.327 511 N HA 0.048 4.787 4.740 -0.001 0.000 0.257 511 N C 0.631 176.190 175.510 0.082 0.000 1.281 511 N CA -0.457 52.729 53.050 0.227 0.000 0.942 511 N CB 0.212 38.907 38.487 0.347 0.000 1.199 511 N HN 0.667 nan 8.380 nan 0.000 0.532 512 K N -1.025 119.398 120.400 0.039 0.000 2.147 512 K HA -0.121 4.199 4.320 -0.001 0.000 0.205 512 K C 0.063 176.648 176.600 -0.026 0.000 1.049 512 K CA 1.366 57.662 56.287 0.016 0.000 0.936 512 K CB -0.051 32.402 32.500 -0.078 0.000 0.722 512 K HN 0.448 nan 8.250 nan 0.000 0.446 513 D N -0.499 119.879 120.400 -0.037 0.000 2.355 513 D HA 0.041 4.681 4.640 -0.001 0.000 0.218 513 D C 0.749 176.943 176.300 -0.177 0.000 1.004 513 D CA 0.987 54.955 54.000 -0.053 0.000 0.880 513 D CB 0.422 41.220 40.800 -0.004 0.000 0.911 513 D HN 0.490 nan 8.370 nan 0.000 0.528 514 G N 1.158 109.712 108.800 -0.410 0.000 2.221 514 G HA2 -0.311 3.648 3.960 -0.001 0.000 0.265 514 G HA3 -0.311 3.648 3.960 -0.001 0.000 0.265 514 G C 1.044 175.938 174.900 -0.010 0.000 1.041 514 G CA 1.122 45.766 45.100 -0.761 0.000 0.807 514 G HN 0.415 nan 8.290 nan 0.000 0.502 515 T N -3.693 110.940 114.554 0.132 0.000 3.001 515 T HA 0.480 4.829 4.350 -0.001 0.000 0.251 515 T C 0.492 175.337 174.700 0.241 0.000 1.040 515 T CA 0.796 63.012 62.100 0.193 0.000 0.985 515 T CB 0.878 69.824 68.868 0.131 0.000 1.011 515 T HN 0.517 nan 8.240 nan 0.000 0.509 516 E N 0.225 120.579 120.200 0.257 0.000 2.340 516 E HA 0.643 4.992 4.350 -0.001 0.000 0.273 516 E C -1.982 174.640 176.600 0.037 0.000 0.891 516 E CA -0.975 55.540 56.400 0.192 0.000 0.757 516 E CB 3.334 33.201 29.700 0.278 0.000 1.231 516 E HN 0.054 nan 8.360 nan 0.000 0.439 517 V N 2.795 122.594 119.914 -0.192 0.000 2.588 517 V HA 0.517 4.637 4.120 -0.001 0.000 0.304 517 V C -1.697 174.234 176.094 -0.272 0.000 1.042 517 V CA -0.482 61.436 62.300 -0.638 0.000 0.877 517 V CB 0.777 31.713 31.823 -1.477 0.000 0.996 517 V HN 0.583 nan 8.190 nan 0.000 0.425 518 W N 5.523 126.435 121.300 -0.646 0.000 2.512 518 W HA 0.758 5.418 4.660 -0.001 0.000 0.335 518 W C -0.663 175.390 176.519 -0.776 0.000 1.088 518 W CA -1.190 55.843 57.345 -0.520 0.000 1.236 518 W CB 1.152 30.362 29.460 -0.417 0.000 1.307 518 W HN 0.383 nan 8.180 nan 0.000 0.567 519 F N 0.798 120.777 119.950 0.049 0.000 2.576 519 F HA 0.456 4.983 4.527 -0.001 0.000 0.313 519 F C 0.387 176.196 175.800 0.015 0.000 1.078 519 F CA -1.065 56.943 58.000 0.013 0.000 0.921 519 F CB 1.735 40.737 39.000 0.003 0.000 1.232 519 F HN -0.032 nan 8.300 nan 0.000 0.459 520 S N 1.356 117.172 115.700 0.193 0.000 2.525 520 S HA 0.506 4.975 4.470 -0.001 0.000 0.278 520 S C -0.525 174.181 174.600 0.176 0.000 1.234 520 S CA -0.687 57.591 58.200 0.130 0.000 1.058 520 S CB 1.344 64.578 63.200 0.057 0.000 0.983 520 S HN 0.326 nan 8.310 nan 0.000 0.495 521 V N 4.442 124.441 119.914 0.142 0.000 2.270 521 V HA 0.180 4.299 4.120 -0.001 0.000 0.263 521 V C -0.648 175.571 176.094 0.208 0.000 1.066 521 V CA -0.692 61.693 62.300 0.141 0.000 0.857 521 V CB -0.212 31.656 31.823 0.074 0.000 1.099 521 V HN 0.888 nan 8.190 nan 0.000 0.476 522 W N 6.398 127.713 121.300 0.024 0.000 2.416 522 W HA 0.461 5.121 4.660 -0.001 0.000 0.318 522 W C -0.125 176.404 176.519 0.018 0.000 1.150 522 W CA -0.703 56.656 57.345 0.024 0.000 1.392 522 W CB 0.351 29.832 29.460 0.035 0.000 1.311 522 W HN 0.445 nan 8.180 nan 0.000 0.436 523 N N 2.632 121.432 118.700 0.168 0.000 2.471 523 N HA 0.591 5.330 4.740 -0.001 0.000 0.288 523 N C 0.134 175.653 175.510 0.015 0.000 1.220 523 N CA -0.313 52.737 53.050 -0.001 0.000 0.893 523 N CB 1.631 40.133 38.487 0.024 0.000 1.256 523 N HN 0.500 nan 8.380 nan 0.000 0.534 524 G N -0.056 108.721 108.800 -0.037 0.000 2.664 524 G HA2 0.029 3.989 3.960 -0.001 0.000 0.242 524 G HA3 0.029 3.989 3.960 -0.001 0.000 0.242 524 G C 1.028 175.971 174.900 0.072 0.000 1.225 524 G CA -0.028 45.078 45.100 0.009 0.000 0.849 524 G HN 0.745 nan 8.290 nan 0.000 0.581 525 K N -0.826 119.631 120.400 0.096 0.000 2.209 525 K HA -0.047 4.273 4.320 -0.001 0.000 0.204 525 K C 0.401 177.045 176.600 0.072 0.000 1.048 525 K CA 1.565 57.914 56.287 0.102 0.000 0.940 525 K CB 0.214 32.786 32.500 0.120 0.000 0.729 525 K HN 0.293 nan 8.250 nan 0.000 0.451 526 D N 0.848 121.281 120.400 0.054 0.000 2.368 526 D HA 0.089 4.728 4.640 -0.001 0.000 0.218 526 D C -0.091 176.227 176.300 0.029 0.000 1.112 526 D CA 0.241 54.265 54.000 0.040 0.000 0.834 526 D CB 0.504 41.324 40.800 0.033 0.000 0.953 526 D HN 0.366 nan 8.370 nan 0.000 0.505 527 Q N 0.093 119.911 119.800 0.031 0.000 2.418 527 Q HA 0.351 4.691 4.340 -0.001 0.000 0.276 527 Q C -0.326 175.691 176.000 0.028 0.000 1.081 527 Q CA -0.791 55.024 55.803 0.020 0.000 0.864 527 Q CB 2.150 30.893 28.738 0.007 0.000 1.384 527 Q HN -0.060 nan 8.270 nan 0.000 0.467 528 E N 0.289 120.500 120.200 0.019 0.000 2.259 528 E HA 0.316 4.665 4.350 -0.001 0.000 0.281 528 E C -1.012 175.606 176.600 0.030 0.000 1.027 528 E CA -0.053 56.359 56.400 0.020 0.000 0.838 528 E CB 0.847 30.551 29.700 0.007 0.000 1.066 528 E HN 0.458 nan 8.360 nan 0.000 0.401 529 S N 1.475 117.200 115.700 0.042 0.000 2.798 529 S HA 0.944 5.413 4.470 -0.001 0.000 0.312 529 S C -1.026 173.591 174.600 0.029 0.000 1.122 529 S CA -0.460 57.775 58.200 0.059 0.000 0.949 529 S CB 1.812 65.076 63.200 0.106 0.000 1.235 529 S HN 0.723 nan 8.310 nan 0.000 0.552 530 A N 0.300 123.138 122.820 0.030 0.000 2.566 530 A HA 0.703 5.022 4.320 -0.001 0.000 0.290 530 A C -2.167 175.409 177.584 -0.013 0.000 1.071 530 A CA -0.719 51.309 52.037 -0.015 0.000 0.658 530 A CB 0.629 19.605 19.000 -0.040 0.000 1.285 530 A HN 0.603 nan 8.150 nan 0.000 0.427 531 L N 0.679 121.856 121.223 -0.077 0.000 2.329 531 L HA 0.695 5.034 4.340 -0.001 0.000 0.279 531 L C -0.883 175.866 176.870 -0.202 0.000 1.014 531 L CA -1.108 53.670 54.840 -0.103 0.000 0.814 531 L CB 1.799 43.772 42.059 -0.143 0.000 1.257 531 L HN 0.429 nan 8.230 nan 0.000 0.424 532 V N 3.596 123.436 119.914 -0.123 0.000 2.417 532 V HA 0.367 4.486 4.120 -0.001 0.000 0.291 532 V C -0.048 175.915 176.094 -0.218 0.000 1.024 532 V CA -0.626 61.598 62.300 -0.126 0.000 0.861 532 V CB 2.238 34.111 31.823 0.084 0.000 0.985 532 V HN 0.429 nan 8.190 nan 0.000 0.436 533 V N 6.044 125.701 119.914 -0.428 0.000 2.370 533 V HA 0.435 4.555 4.120 -0.001 0.000 0.279 533 V C -0.031 175.938 176.094 -0.209 0.000 1.029 533 V CA -0.513 61.480 62.300 -0.511 0.000 0.870 533 V CB 1.674 32.934 31.823 -0.938 0.000 0.984 533 V HN 0.600 nan 8.190 nan 0.000 0.451 534 V N 3.611 123.502 119.914 -0.038 0.000 2.483 534 V HA 0.333 4.453 4.120 -0.001 0.000 0.295 534 V C 0.029 176.157 176.094 0.057 0.000 1.035 534 V CA -0.642 61.701 62.300 0.072 0.000 0.896 534 V CB 1.925 33.914 31.823 0.276 0.000 0.986 534 V HN 0.893 nan 8.190 nan 0.000 0.447 535 D N 2.984 123.414 120.400 0.050 0.000 2.338 535 D HA 0.023 4.662 4.640 -0.001 0.000 0.255 535 D C 0.843 177.249 176.300 0.177 0.000 1.237 535 D CA 0.065 54.120 54.000 0.092 0.000 0.883 535 D CB 1.357 42.184 40.800 0.045 0.000 1.087 535 D HN 0.733 nan 8.370 nan 0.000 0.485 536 D N 3.087 123.636 120.400 0.248 0.000 2.178 536 D HA -0.162 4.477 4.640 -0.001 0.000 0.201 536 D C 1.367 177.919 176.300 0.419 0.000 0.980 536 D CA 1.097 55.343 54.000 0.410 0.000 0.842 536 D CB 0.453 41.565 40.800 0.520 0.000 0.948 536 D HN 0.162 nan 8.370 nan 0.000 0.472 537 K N -0.599 119.976 120.400 0.292 0.000 2.103 537 K HA -0.019 4.301 4.320 -0.001 0.000 0.204 537 K C 2.157 178.899 176.600 0.237 0.000 1.052 537 K CA 1.561 58.010 56.287 0.270 0.000 0.945 537 K CB -0.582 32.022 32.500 0.173 0.000 0.722 537 K HN 0.422 nan 8.250 nan 0.000 0.443 538 T N -2.176 112.473 114.554 0.159 0.000 2.990 538 T HA 0.220 4.570 4.350 -0.001 0.000 0.250 538 T C 0.930 175.668 174.700 0.063 0.000 1.041 538 T CA -0.220 61.939 62.100 0.099 0.000 1.010 538 T CB -0.025 68.876 68.868 0.055 0.000 1.003 538 T HN 0.156 nan 8.240 nan 0.000 0.499 539 L N 0.495 121.763 121.223 0.075 0.000 3.865 539 L HA -0.174 4.166 4.340 -0.001 0.000 0.408 539 L C -0.274 176.692 176.870 0.160 0.000 1.209 539 L CA 0.454 55.340 54.840 0.077 0.000 0.940 539 L CB -2.052 39.950 42.059 -0.095 0.000 1.971 539 L HN 0.506 nan 8.230 nan 0.000 0.899 540 E N -0.044 120.188 120.200 0.054 0.000 2.249 540 E HA 0.561 4.910 4.350 -0.001 0.000 0.263 540 E C -0.295 176.074 176.600 -0.386 0.000 0.950 540 E CA -1.281 55.040 56.400 -0.131 0.000 0.827 540 E CB 2.132 31.749 29.700 -0.139 0.000 1.220 540 E HN 0.095 nan 8.360 nan 0.000 0.411 541 L N 2.252 122.870 121.223 -1.007 0.000 2.499 541 L HA 0.000 4.340 4.340 -0.001 0.000 0.273 541 L C 0.708 177.299 176.870 -0.465 0.000 1.195 541 L CA 0.766 55.033 54.840 -0.954 0.000 0.882 541 L CB 0.483 41.701 42.059 -1.401 0.000 1.133 541 L HN 0.491 nan 8.230 nan 0.000 0.483 542 K N 3.365 123.576 120.400 -0.316 0.000 2.216 542 K HA 0.154 4.474 4.320 -0.001 0.000 0.207 542 K C -0.430 176.043 176.600 -0.212 0.000 1.041 542 K CA 0.804 56.962 56.287 -0.214 0.000 0.966 542 K CB 0.024 32.431 32.500 -0.154 0.000 0.955 542 K HN 0.834 nan 8.250 nan 0.000 0.468 543 H N -1.269 117.521 119.070 -0.467 0.000 3.079 543 H HA 0.511 5.067 4.556 -0.001 0.000 0.356 543 H C -1.937 173.092 175.328 -0.499 0.000 1.221 543 H CA -0.831 54.906 56.048 -0.519 0.000 1.185 543 H CB 1.656 30.902 29.762 -0.860 0.000 1.882 543 H HN -0.126 nan 8.280 nan 0.000 0.543 544 V N 5.795 125.139 119.914 -0.950 0.000 2.417 544 V HA 0.350 4.469 4.120 -0.001 0.000 0.291 544 V C 0.132 175.759 176.094 -0.778 0.000 1.024 544 V CA -0.609 61.295 62.300 -0.659 0.000 0.861 544 V CB 1.277 32.872 31.823 -0.381 0.000 0.985 544 V HN 0.604 nan 8.190 nan 0.000 0.436 545 I N 5.251 125.540 120.570 -0.469 0.000 2.304 545 I HA 0.469 4.638 4.170 -0.001 0.000 0.291 545 I C 0.069 176.089 176.117 -0.161 0.000 1.018 545 I CA -0.207 60.935 61.300 -0.262 0.000 1.260 545 I CB 0.889 38.766 38.000 -0.204 0.000 1.390 545 I HN 0.534 nan 8.210 nan 0.000 0.475 546 K N 5.109 125.440 120.400 -0.114 0.000 2.422 546 K HA 0.550 4.870 4.320 -0.001 0.000 0.251 546 K C -1.423 175.159 176.600 -0.031 0.000 0.933 546 K CA -0.885 55.362 56.287 -0.067 0.000 0.798 546 K CB 2.711 35.167 32.500 -0.073 0.000 1.238 546 K HN 0.480 nan 8.250 nan 0.000 0.428 547 D N 1.077 121.471 120.400 -0.011 0.000 2.745 547 D HA 0.030 4.670 4.640 -0.001 0.000 0.221 547 D C 0.029 176.336 176.300 0.013 0.000 1.237 547 D CA -0.246 53.756 54.000 0.004 0.000 0.781 547 D CB 1.782 42.590 40.800 0.013 0.000 1.575 547 D HN 0.428 nan 8.370 nan 0.000 0.482 548 E N 1.350 121.559 120.200 0.015 0.000 2.204 548 E HA -0.112 4.238 4.350 -0.001 0.000 0.195 548 E C 1.423 178.041 176.600 0.030 0.000 0.990 548 E CA 0.895 57.308 56.400 0.021 0.000 0.821 548 E CB 0.128 29.840 29.700 0.020 0.000 0.750 548 E HN 0.406 nan 8.360 nan 0.000 0.477 549 R N 0.103 120.622 120.500 0.031 0.000 2.276 549 R HA 0.040 4.380 4.340 -0.001 0.000 0.203 549 R C 0.867 177.192 176.300 0.042 0.000 1.017 549 R CA -0.078 56.045 56.100 0.038 0.000 1.010 549 R CB -0.068 30.255 30.300 0.039 0.000 0.900 549 R HN -0.042 nan 8.270 nan 0.000 0.469 550 L N 2.052 123.298 121.223 0.038 0.000 2.391 550 L HA 0.112 4.452 4.340 -0.001 0.000 0.249 550 L C -0.737 176.165 176.870 0.054 0.000 1.308 550 L CA 0.071 54.937 54.840 0.042 0.000 1.209 550 L CB 0.492 42.569 42.059 0.031 0.000 1.401 550 L HN -0.203 nan 8.230 nan 0.000 0.416 551 V N 3.108 123.059 119.914 0.060 0.000 2.406 551 V HA 0.205 4.324 4.120 -0.001 0.000 0.272 551 V C 0.844 176.995 176.094 0.094 0.000 1.043 551 V CA 0.065 62.412 62.300 0.080 0.000 0.915 551 V CB 0.829 32.699 31.823 0.078 0.000 0.988 551 V HN 0.865 nan 8.190 nan 0.000 0.466 552 T N 4.309 118.955 114.554 0.153 0.000 3.549 552 T HA -0.116 4.233 4.350 -0.001 0.000 0.398 552 T C -1.703 173.030 174.700 0.054 0.000 0.766 552 T CA -0.040 62.205 62.100 0.242 0.000 2.007 552 T CB -1.729 67.310 68.868 0.285 0.000 1.727 552 T HN 0.576 nan 8.240 nan 0.000 0.693 553 P HA 0.250 nan 4.420 nan 0.000 0.271 553 P C 0.972 178.137 177.300 -0.225 0.000 1.226 553 P CA 0.132 63.198 63.100 -0.056 0.000 0.765 553 P CB 1.544 33.254 31.700 0.016 0.000 0.835 554 T N 0.909 115.265 114.554 -0.330 0.000 2.638 554 T HA 0.381 4.731 4.350 -0.001 0.000 0.169 554 T C 0.984 175.486 174.700 -0.329 0.000 0.790 554 T CA 0.069 61.872 62.100 -0.495 0.000 1.151 554 T CB -0.771 67.636 68.868 -0.768 0.000 2.581 554 T HN 0.321 nan 8.240 nan 0.000 0.391 555 G N 1.835 110.450 108.800 -0.308 0.000 2.441 555 G HA2 0.499 4.459 3.960 -0.001 0.000 0.243 555 G HA3 0.499 4.459 3.960 -0.001 0.000 0.243 555 G C -1.014 173.653 174.900 -0.390 0.000 1.281 555 G CA -0.473 44.410 45.100 -0.362 0.000 0.854 555 G HN 0.667 nan 8.290 nan 0.000 0.560 556 K N 0.733 120.683 120.400 -0.750 0.000 2.443 556 K HA 0.475 4.795 4.320 -0.001 0.000 0.252 556 K C -1.586 174.420 176.600 -0.991 0.000 0.933 556 K CA -0.445 55.532 56.287 -0.517 0.000 0.792 556 K CB 2.283 34.670 32.500 -0.189 0.000 1.185 556 K HN 0.358 nan 8.250 nan 0.000 0.425 557 F N 1.533 121.443 119.950 -0.066 0.000 2.539 557 F HA 0.263 4.789 4.527 -0.001 0.000 0.328 557 F C 0.287 175.887 175.800 -0.333 0.000 1.148 557 F CA -0.975 56.932 58.000 -0.156 0.000 0.940 557 F CB 1.461 40.409 39.000 -0.086 0.000 1.194 557 F HN 0.456 nan 8.300 nan 0.000 0.438 558 N N 2.380 120.792 118.700 -0.481 0.000 2.520 558 N HA 0.107 4.846 4.740 -0.001 0.000 0.273 558 N C 0.876 176.247 175.510 -0.233 0.000 1.155 558 N CA -0.031 52.552 53.050 -0.779 0.000 0.967 558 N CB 1.623 39.533 38.487 -0.961 0.000 1.092 558 N HN 0.469 nan 8.380 nan 0.000 0.457 559 V N 4.366 124.192 119.914 -0.146 0.000 2.255 559 V HA -0.261 3.859 4.120 -0.001 0.000 0.247 559 V C 1.803 177.928 176.094 0.052 0.000 1.051 559 V CA 1.655 63.960 62.300 0.008 0.000 1.018 559 V CB -1.060 30.800 31.823 0.062 0.000 0.641 559 V HN 0.739 nan 8.190 nan 0.000 0.445 560 Y N 1.720 122.006 120.300 -0.024 0.000 2.145 560 Y HA -0.232 4.318 4.550 -0.001 0.000 0.286 560 Y C 2.539 178.471 175.900 0.054 0.000 1.145 560 Y CA 2.110 60.227 58.100 0.028 0.000 1.148 560 Y CB -0.273 38.206 38.460 0.032 0.000 0.981 560 Y HN 0.315 nan 8.280 nan 0.000 0.507 561 N N -0.972 117.823 118.700 0.159 0.000 2.309 561 N HA -0.120 4.620 4.740 -0.001 0.000 0.182 561 N C 1.634 177.216 175.510 0.120 0.000 1.018 561 N CA 1.732 54.875 53.050 0.154 0.000 0.876 561 N CB -0.530 38.087 38.487 0.217 0.000 0.972 561 N HN 0.388 nan 8.380 nan 0.000 0.434 562 T N 1.195 115.802 114.554 0.089 0.000 2.894 562 T HA 0.022 4.371 4.350 -0.001 0.000 0.258 562 T C 1.880 176.609 174.700 0.049 0.000 1.043 562 T CA 0.473 62.638 62.100 0.108 0.000 1.141 562 T CB -0.023 68.905 68.868 0.099 0.000 0.873 562 T HN 0.228 nan 8.240 nan 0.000 0.449 563 M N 2.226 121.817 119.600 -0.015 0.000 2.213 563 M HA -0.119 4.361 4.480 -0.001 0.000 0.263 563 M C 1.951 178.218 176.300 -0.054 0.000 1.062 563 M CA 1.877 57.154 55.300 -0.040 0.000 1.105 563 M CB -0.359 32.198 32.600 -0.072 0.000 1.385 563 M HN 0.329 nan 8.290 nan 0.000 0.417 564 T N -3.853 110.622 114.554 -0.132 0.000 3.069 564 T HA 0.153 4.502 4.350 -0.001 0.000 0.252 564 T C 0.001 174.712 174.700 0.018 0.000 1.053 564 T CA 0.165 62.209 62.100 -0.092 0.000 0.964 564 T CB -0.159 68.519 68.868 -0.317 0.000 1.005 564 T HN 0.491 nan 8.240 nan 0.000 0.532 565 D N 1.257 121.692 120.400 0.058 0.000 2.699 565 D HA -0.109 4.531 4.640 -0.001 0.000 0.239 565 D C -0.708 175.518 176.300 -0.123 0.000 1.136 565 D CA 0.910 54.947 54.000 0.063 0.000 0.668 565 D CB -1.945 38.775 40.800 -0.134 0.000 1.060 565 D HN 0.433 nan 8.370 nan 0.000 0.429 566 T N 1.232 115.794 114.554 0.014 0.000 2.811 566 T HA 0.495 4.845 4.350 -0.001 0.000 0.309 566 T C -0.026 174.720 174.700 0.076 0.000 1.005 566 T CA -0.427 61.643 62.100 -0.050 0.000 0.955 566 T CB 0.281 69.156 68.868 0.013 0.000 0.970 566 T HN 0.277 nan 8.240 nan 0.000 0.496 567 Y N 0.000 120.370 120.300 0.117 0.000 2.660 567 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 567 Y CA 0.000 58.190 58.100 0.150 0.000 1.940 567 Y CB 0.000 38.587 38.460 0.212 0.000 1.050 567 Y HN 0.000 nan 8.280 nan 0.000 0.758