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 1gx0_1_B DATA FIRST_RESID 82 DATA SEQUENCE KLKLSDWFNP FKRPEVVTMT KWKAPVVWEG TYNRAVLDNY YAKQKITVGL DATA SEQUENCE TVFAVGRYIE HYLEEFLTSA NKHFMVGHPV IFYIMVDDVS RMPLIELGPL DATA SEQUENCE RSFKVFKIKP EKRWQDISMM RMKTIGEHIV AHIQHEVDFL FCMDVDQVFQ DATA SEQUENCE DKFGVETLGE SVAQLQAWWY KADPNDFTYE RRKESAAYIP FGEGDFYYHA DATA SEQUENCE AIFGGTPTQV LNITQECFKG ILKDKKNDIE AQWHDESHLN KYFLLNKPTK DATA SEQUENCE ILSPEYCWDY HIGLPADIKL VKMSWQTKEY NVVRNNV 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 82 K HA 0.000 nan 4.320 nan 0.000 0.191 82 K C 0.000 176.612 176.600 0.020 0.000 0.988 82 K CA 0.000 56.358 56.287 0.119 0.000 0.838 82 K CB 0.000 32.588 32.500 0.147 0.000 1.064 83 L N 3.032 124.185 121.223 -0.117 0.000 2.499 83 L HA 0.188 5.546 4.340 1.696 0.000 0.273 83 L C -0.452 176.375 176.870 -0.071 0.000 1.195 83 L CA 0.931 55.560 54.840 -0.351 0.000 0.882 83 L CB 0.669 42.255 42.059 -0.789 0.000 1.133 83 L HN -0.021 nan 8.230 nan 0.000 0.483 84 K N 4.049 124.444 120.400 -0.008 0.000 2.259 84 K HA 0.175 5.513 4.320 1.696 0.000 0.249 84 K C 0.566 177.238 176.600 0.119 0.000 0.942 84 K CA -0.699 55.624 56.287 0.060 0.000 0.816 84 K CB 1.781 34.302 32.500 0.036 0.000 1.155 84 K HN 0.644 nan 8.250 nan 0.000 0.428 85 L N 3.436 124.716 121.223 0.095 0.000 2.013 85 L HA -0.242 5.115 4.340 1.696 0.000 0.212 85 L C 1.948 178.672 176.870 -0.243 0.000 1.073 85 L CA 2.818 57.632 54.840 -0.044 0.000 0.753 85 L CB -0.796 41.234 42.059 -0.048 0.000 0.890 85 L HN 0.834 nan 8.230 nan 0.000 0.432 86 S N -1.918 113.732 115.700 -0.083 0.000 2.469 86 S HA -0.168 5.320 4.470 1.696 0.000 0.238 86 S C 1.624 176.194 174.600 -0.050 0.000 0.998 86 S CA 1.007 59.165 58.200 -0.070 0.000 0.957 86 S CB -0.791 62.403 63.200 -0.010 0.000 0.764 86 S HN 0.529 nan 8.310 nan 0.000 0.514 87 D N 1.165 121.569 120.400 0.006 0.000 2.178 87 D HA -0.057 5.601 4.640 1.696 0.000 0.201 87 D C 1.610 178.010 176.300 0.167 0.000 0.980 87 D CA 1.368 55.417 54.000 0.081 0.000 0.842 87 D CB -0.175 40.684 40.800 0.098 0.000 0.948 87 D HN 0.895 nan 8.370 nan 0.000 0.472 88 W N -1.532 119.808 121.300 0.066 0.000 2.413 88 W HA 0.300 5.967 4.660 1.678 0.000 0.288 88 W C -0.522 176.132 176.519 0.224 0.000 0.958 88 W CA -0.521 56.895 57.345 0.120 0.000 1.333 88 W CB -0.181 29.340 29.460 0.102 0.000 1.002 88 W HN -0.254 nan 8.180 nan 0.000 0.562 89 F N 4.256 123.668 119.950 -0.897 0.000 2.467 89 F HA 0.508 6.046 4.527 1.686 0.000 0.336 89 F C -0.757 174.804 175.800 -0.398 0.000 1.123 89 F CA -1.298 56.187 58.000 -0.859 0.000 0.964 89 F CB 1.149 39.244 39.000 -1.509 0.000 1.136 89 F HN -0.221 nan 8.300 nan 0.000 0.447 90 N N 8.142 126.358 118.700 -0.807 0.000 2.617 90 N HA 0.343 6.101 4.740 1.696 0.000 0.263 90 N C -2.224 172.784 175.510 -0.836 0.000 1.074 90 N CA -2.434 50.277 53.050 -0.566 0.000 0.841 90 N CB 1.799 40.148 38.487 -0.229 0.000 1.221 90 N HN 0.271 nan 8.380 nan 0.000 0.529 91 P HA -0.075 nan 4.420 nan 0.000 0.220 91 P C 0.926 177.825 177.300 -0.669 0.000 1.148 91 P CA 0.880 63.428 63.100 -0.920 0.000 0.803 91 P CB -0.023 31.211 31.700 -0.777 0.000 0.782 92 F N 0.482 120.279 119.950 -0.256 0.000 2.641 92 F HA -0.010 5.539 4.527 1.702 0.000 0.298 92 F C 2.154 177.851 175.800 -0.172 0.000 1.146 92 F CA 0.657 58.551 58.000 -0.177 0.000 1.464 92 F CB -0.676 38.239 39.000 -0.141 0.000 1.101 92 F HN -0.173 nan 8.300 nan 0.000 0.585 93 K N 0.191 120.529 120.400 -0.104 0.000 2.366 93 K HA 0.069 5.407 4.320 1.696 0.000 0.198 93 K C 0.456 176.978 176.600 -0.129 0.000 1.044 93 K CA 0.582 56.806 56.287 -0.106 0.000 0.973 93 K CB 0.086 32.503 32.500 -0.139 0.000 0.767 93 K HN 0.094 nan 8.250 nan 0.000 0.475 94 R N 0.772 121.164 120.500 -0.181 0.000 2.644 94 R HA 0.159 5.517 4.340 1.696 0.000 0.271 94 R C -2.149 174.004 176.300 -0.246 0.000 1.687 94 R CA -1.455 54.511 56.100 -0.224 0.000 1.655 94 R CB 0.836 30.971 30.300 -0.274 0.000 1.285 94 R HN -0.039 nan 8.270 nan 0.000 0.643 95 P HA -0.106 nan 4.420 nan 0.000 0.233 95 P C 0.726 177.941 177.300 -0.141 0.000 1.167 95 P CA 0.860 63.883 63.100 -0.128 0.000 0.770 95 P CB 0.515 32.184 31.700 -0.052 0.000 0.837 96 E N 0.952 121.041 120.200 -0.184 0.000 2.489 96 E HA 0.049 5.416 4.350 1.696 0.000 0.193 96 E C 0.591 177.056 176.600 -0.225 0.000 1.057 96 E CA 0.109 56.406 56.400 -0.172 0.000 0.866 96 E CB -0.444 29.162 29.700 -0.155 0.000 0.916 96 E HN 0.159 nan 8.360 nan 0.000 0.500 97 V N -2.564 117.145 119.914 -0.343 0.000 3.141 97 V HA 0.533 5.671 4.120 1.696 0.000 0.312 97 V C 0.109 176.086 176.094 -0.196 0.000 1.157 97 V CA -1.310 60.752 62.300 -0.396 0.000 1.041 97 V CB 1.712 32.832 31.823 -1.172 0.000 1.071 97 V HN -0.164 nan 8.190 nan 0.000 0.441 98 V N 2.231 122.180 119.914 0.058 0.000 2.470 98 V HA 0.291 5.429 4.120 1.696 0.000 0.276 98 V C 1.489 177.741 176.094 0.263 0.000 1.040 98 V CA 0.986 63.400 62.300 0.191 0.000 1.008 98 V CB 0.469 32.508 31.823 0.359 0.000 0.990 98 V HN 1.220 nan 8.190 nan 0.000 0.477 99 T N 1.331 115.975 114.554 0.150 0.000 2.985 99 T HA 0.387 5.755 4.350 1.696 0.000 0.254 99 T C 0.320 175.149 174.700 0.215 0.000 1.021 99 T CA -0.156 62.099 62.100 0.257 0.000 0.957 99 T CB 0.433 69.362 68.868 0.101 0.000 1.047 99 T HN 0.314 nan 8.240 nan 0.000 0.511 100 M N 2.947 122.595 119.600 0.080 0.000 2.378 100 M HA 0.421 5.918 4.480 1.696 0.000 0.289 100 M C -0.344 175.906 176.300 -0.083 0.000 1.136 100 M CA -0.529 54.758 55.300 -0.022 0.000 0.917 100 M CB 2.093 34.679 32.600 -0.022 0.000 1.669 100 M HN 0.321 nan 8.290 nan 0.000 0.461 101 T N -0.955 113.429 114.554 -0.284 0.000 2.824 101 T HA 0.444 5.812 4.350 1.696 0.000 0.277 101 T C 0.984 175.456 174.700 -0.380 0.000 0.975 101 T CA -0.593 61.218 62.100 -0.481 0.000 0.966 101 T CB 1.393 69.394 68.868 -1.445 0.000 1.054 101 T HN 0.689 nan 8.240 nan 0.000 0.533 102 K N -0.173 120.086 120.400 -0.236 0.000 2.280 102 K HA -0.043 5.295 4.320 1.696 0.000 0.202 102 K C 1.184 177.877 176.600 0.155 0.000 1.047 102 K CA 1.506 57.824 56.287 0.052 0.000 0.942 102 K CB -0.195 32.439 32.500 0.224 0.000 0.739 102 K HN 0.885 nan 8.250 nan 0.000 0.457 103 W N 0.368 121.733 121.300 0.108 0.000 3.194 103 W HA 0.369 6.044 4.660 1.691 0.000 0.408 103 W C -0.573 175.990 176.519 0.073 0.000 1.072 103 W CA -0.851 56.545 57.345 0.084 0.000 1.953 103 W CB 0.304 29.816 29.460 0.085 0.000 1.091 103 W HN -0.192 nan 8.180 nan 0.000 0.699 104 K N -0.271 120.074 120.400 -0.092 0.000 3.281 104 K HA -0.203 5.135 4.320 1.696 0.000 0.295 104 K C 0.149 176.674 176.600 -0.125 0.000 1.233 104 K CA 1.177 57.419 56.287 -0.073 0.000 0.866 104 K CB -2.065 30.458 32.500 0.039 0.000 1.265 104 K HN 0.468 nan 8.250 nan 0.000 0.482 105 A N 0.943 123.565 122.820 -0.329 0.000 2.309 105 A HA 0.601 5.938 4.320 1.696 0.000 0.298 105 A C -2.150 175.267 177.584 -0.277 0.000 1.165 105 A CA -1.253 50.654 52.037 -0.218 0.000 0.821 105 A CB 0.476 19.393 19.000 -0.138 0.000 1.102 105 A HN 0.023 nan 8.150 nan 0.000 0.500 106 P HA 0.316 nan 4.420 nan 0.000 0.282 106 P C -0.837 176.262 177.300 -0.335 0.000 1.249 106 P CA -0.209 62.568 63.100 -0.539 0.000 0.806 106 P CB 1.380 32.345 31.700 -1.226 0.000 0.984 107 V N 3.650 123.477 119.914 -0.145 0.000 2.313 107 V HA 0.101 5.239 4.120 1.696 0.000 0.278 107 V C 0.447 176.640 176.094 0.165 0.000 1.017 107 V CA -0.770 61.519 62.300 -0.018 0.000 0.823 107 V CB 1.472 33.371 31.823 0.127 0.000 1.010 107 V HN 0.264 nan 8.190 nan 0.000 0.443 108 V N 5.113 125.037 119.914 0.016 0.000 2.415 108 V HA 0.205 5.343 4.120 1.696 0.000 0.267 108 V C -0.339 175.880 176.094 0.207 0.000 1.042 108 V CA -0.134 62.309 62.300 0.240 0.000 1.000 108 V CB -0.221 31.651 31.823 0.082 0.000 1.015 108 V HN 0.823 nan 8.190 nan 0.000 0.478 109 W N 2.055 123.577 121.300 0.370 0.000 2.706 109 W HA 0.558 6.322 4.660 1.840 0.000 0.346 109 W C 0.266 176.949 176.519 0.273 0.000 1.071 109 W CA -0.989 56.509 57.345 0.254 0.000 1.206 109 W CB 1.043 30.569 29.460 0.111 0.000 1.413 109 W HN 0.463 nan 8.180 nan 0.000 0.542 110 E N 0.859 121.315 120.200 0.427 0.000 2.558 110 E HA 0.315 5.683 4.350 1.696 0.000 0.255 110 E C 1.056 177.688 176.600 0.053 0.000 0.968 110 E CA 2.039 58.575 56.400 0.226 0.000 0.939 110 E CB 0.239 30.001 29.700 0.104 0.000 0.921 110 E HN 0.664 nan 8.360 nan 0.000 0.477 111 G N 2.904 111.586 108.800 -0.197 0.000 2.254 111 G HA2 -0.336 4.642 3.960 1.696 0.000 0.225 111 G HA3 -0.336 4.642 3.960 1.696 0.000 0.225 111 G C 1.048 175.827 174.900 -0.201 0.000 1.003 111 G CA 0.770 45.750 45.100 -0.200 0.000 0.622 111 G HN 0.829 nan 8.290 nan 0.000 0.507 112 T N -1.311 113.181 114.554 -0.104 0.000 3.054 112 T HA 0.405 5.772 4.350 1.696 0.000 0.259 112 T C 1.039 175.732 174.700 -0.013 0.000 1.092 112 T CA 1.199 63.206 62.100 -0.153 0.000 1.121 112 T CB -0.148 68.630 68.868 -0.150 0.000 0.912 112 T HN 1.305 nan 8.240 nan 0.000 0.489 113 Y N 0.508 120.946 120.300 0.231 0.000 2.387 113 Y HA 0.713 6.284 4.550 1.701 0.000 0.330 113 Y C -0.235 175.833 175.900 0.281 0.000 1.133 113 Y CA -2.427 55.914 58.100 0.401 0.000 1.152 113 Y CB 0.703 39.497 38.460 0.556 0.000 1.215 113 Y HN -0.147 nan 8.280 nan 0.000 0.466 114 N N 3.627 122.637 118.700 0.517 0.000 2.817 114 N HA 0.155 5.913 4.740 1.696 0.000 0.234 114 N C 0.669 176.423 175.510 0.408 0.000 1.066 114 N CA -0.255 52.998 53.050 0.339 0.000 0.926 114 N CB 0.443 39.083 38.487 0.254 0.000 1.176 114 N HN 0.986 nan 8.380 nan 0.000 0.506 115 R N 2.273 123.049 120.500 0.461 0.000 2.120 115 R HA -0.075 5.282 4.340 1.696 0.000 0.234 115 R C 1.637 178.075 176.300 0.230 0.000 1.123 115 R CA 1.606 57.908 56.100 0.337 0.000 0.975 115 R CB 0.094 30.600 30.300 0.343 0.000 0.866 115 R HN 0.530 nan 8.270 nan 0.000 0.446 116 A N 0.213 123.154 122.820 0.200 0.000 1.883 116 A HA -0.138 5.200 4.320 1.696 0.000 0.217 116 A C 2.229 179.904 177.584 0.151 0.000 1.186 116 A CA 1.700 53.829 52.037 0.153 0.000 0.624 116 A CB -0.640 18.432 19.000 0.120 0.000 0.822 116 A HN 0.221 nan 8.150 nan 0.000 0.444 117 V N 0.033 120.043 119.914 0.160 0.000 2.343 117 V HA -0.256 4.882 4.120 1.696 0.000 0.247 117 V C 2.579 178.754 176.094 0.136 0.000 1.051 117 V CA 2.009 64.395 62.300 0.144 0.000 1.036 117 V CB -0.698 31.219 31.823 0.156 0.000 0.654 117 V HN 0.569 nan 8.190 nan 0.000 0.451 118 L N -0.544 120.761 121.223 0.136 0.000 2.056 118 L HA -0.153 5.205 4.340 1.696 0.000 0.207 118 L C 2.398 179.394 176.870 0.210 0.000 1.078 118 L CA 1.462 56.349 54.840 0.079 0.000 0.749 118 L CB -0.746 41.335 42.059 0.037 0.000 0.901 118 L HN 0.319 nan 8.230 nan 0.000 0.433 119 D N 0.003 120.553 120.400 0.251 0.000 2.123 119 D HA -0.212 5.446 4.640 1.696 0.000 0.196 119 D C 1.884 178.359 176.300 0.291 0.000 0.992 119 D CA 1.424 55.637 54.000 0.355 0.000 0.833 119 D CB -0.200 40.760 40.800 0.267 0.000 0.954 119 D HN 0.280 nan 8.370 nan 0.000 0.455 120 N N -0.489 118.326 118.700 0.190 0.000 2.084 120 N HA -0.219 5.539 4.740 1.696 0.000 0.190 120 N C 1.859 177.451 175.510 0.136 0.000 1.030 120 N CA 0.972 54.107 53.050 0.142 0.000 0.849 120 N CB -0.365 38.192 38.487 0.117 0.000 1.012 120 N HN 0.132 nan 8.380 nan 0.000 0.423 121 Y N 0.025 120.314 120.300 -0.018 0.000 2.097 121 Y HA -0.253 5.314 4.550 1.695 0.000 0.282 121 Y C 1.667 177.505 175.900 -0.103 0.000 1.152 121 Y CA 1.935 59.958 58.100 -0.128 0.000 1.136 121 Y CB -0.731 37.537 38.460 -0.321 0.000 0.975 121 Y HN 0.239 nan 8.280 nan 0.000 0.498 122 Y N -0.789 119.541 120.300 0.050 0.000 2.314 122 Y HA -0.098 5.470 4.550 1.696 0.000 0.293 122 Y C 2.585 178.503 175.900 0.031 0.000 1.129 122 Y CA 0.466 58.536 58.100 -0.049 0.000 1.201 122 Y CB -0.475 37.926 38.460 -0.098 0.000 0.999 122 Y HN 0.243 nan 8.280 nan 0.000 0.541 123 A N 0.684 123.678 122.820 0.290 0.000 1.902 123 A HA -0.211 5.127 4.320 1.696 0.000 0.217 123 A C 2.071 179.702 177.584 0.079 0.000 1.181 123 A CA 1.690 53.850 52.037 0.205 0.000 0.623 123 A CB -0.446 18.634 19.000 0.133 0.000 0.818 123 A HN 0.369 nan 8.150 nan 0.000 0.443 124 K N -0.416 119.993 120.400 0.015 0.000 2.209 124 K HA -0.131 5.207 4.320 1.696 0.000 0.204 124 K C 1.909 178.473 176.600 -0.060 0.000 1.048 124 K CA 1.394 57.661 56.287 -0.033 0.000 0.940 124 K CB -0.124 32.338 32.500 -0.064 0.000 0.729 124 K HN 0.613 nan 8.250 nan 0.000 0.451 125 Q N 0.573 120.320 119.800 -0.088 0.000 2.425 125 Q HA 0.040 5.398 4.340 1.696 0.000 0.204 125 Q C -0.559 175.450 176.000 0.015 0.000 0.933 125 Q CA 0.111 55.874 55.803 -0.067 0.000 0.939 125 Q CB 0.271 28.947 28.738 -0.104 0.000 1.044 125 Q HN 0.134 nan 8.270 nan 0.000 0.513 126 K N 1.471 121.901 120.400 0.050 0.000 3.653 126 K HA -0.178 5.160 4.320 1.696 0.000 0.275 126 K C -0.133 176.512 176.600 0.075 0.000 0.962 126 K CA 0.258 56.585 56.287 0.066 0.000 0.773 126 K CB -2.060 30.461 32.500 0.035 0.000 1.463 126 K HN 0.432 nan 8.250 nan 0.000 0.450 127 I N -2.727 117.908 120.570 0.108 0.000 2.834 127 I HA 0.437 5.625 4.170 1.696 0.000 0.305 127 I C 0.183 176.344 176.117 0.072 0.000 1.008 127 I CA -0.350 61.001 61.300 0.085 0.000 1.273 127 I CB 1.676 39.730 38.000 0.090 0.000 1.432 127 I HN -0.020 nan 8.210 nan 0.000 0.557 128 T N 3.623 118.213 114.554 0.061 0.000 2.886 128 T HA 0.558 5.926 4.350 1.696 0.000 0.292 128 T C -0.609 174.142 174.700 0.085 0.000 1.012 128 T CA -0.431 61.704 62.100 0.059 0.000 0.982 128 T CB 1.935 70.834 68.868 0.053 0.000 1.018 128 T HN 0.453 nan 8.240 nan 0.000 0.451 129 V N 2.221 122.189 119.914 0.089 0.000 2.495 129 V HA 0.807 5.944 4.120 1.696 0.000 0.298 129 V C 0.691 176.933 176.094 0.246 0.000 1.031 129 V CA -0.707 61.698 62.300 0.176 0.000 0.871 129 V CB 1.820 33.710 31.823 0.112 0.000 0.988 129 V HN 1.026 nan 8.190 nan 0.000 0.432 130 G N 2.861 111.854 108.800 0.323 0.000 2.461 130 G HA2 0.704 5.682 3.960 1.696 0.000 0.329 130 G HA3 0.704 5.682 3.960 1.696 0.000 0.329 130 G C -1.552 173.603 174.900 0.425 0.000 1.170 130 G CA -0.527 44.796 45.100 0.371 0.000 0.935 130 G HN 0.623 nan 8.290 nan 0.000 0.492 131 L N 0.973 122.417 121.223 0.368 0.000 2.580 131 L HA 0.554 5.912 4.340 1.696 0.000 0.266 131 L C 0.208 177.282 176.870 0.340 0.000 0.955 131 L CA -0.467 54.540 54.840 0.278 0.000 0.886 131 L CB 1.772 43.848 42.059 0.028 0.000 1.263 131 L HN 0.766 nan 8.230 nan 0.000 0.406 132 T N 1.731 116.434 114.554 0.248 0.000 2.907 132 T HA 0.796 6.163 4.350 1.696 0.000 0.284 132 T C -0.595 174.145 174.700 0.067 0.000 1.004 132 T CA -0.739 61.464 62.100 0.171 0.000 1.063 132 T CB 1.781 70.699 68.868 0.084 0.000 0.992 132 T HN 0.714 nan 8.240 nan 0.000 0.483 133 V N 3.167 123.061 119.914 -0.034 0.000 2.817 133 V HA 0.648 5.786 4.120 1.696 0.000 0.303 133 V C -1.983 174.023 176.094 -0.147 0.000 1.151 133 V CA -1.065 61.164 62.300 -0.119 0.000 0.929 133 V CB 1.630 33.238 31.823 -0.358 0.000 1.030 133 V HN 0.906 nan 8.190 nan 0.000 0.427 134 F N 4.524 124.374 119.950 -0.167 0.000 2.450 134 F HA 0.889 6.431 4.527 1.692 0.000 0.332 134 F C 0.513 176.256 175.800 -0.094 0.000 1.093 134 F CA -0.264 57.672 58.000 -0.107 0.000 1.003 134 F CB 2.256 41.191 39.000 -0.109 0.000 1.151 134 F HN 0.690 nan 8.300 nan 0.000 0.474 135 A N 2.827 125.716 122.820 0.115 0.000 2.530 135 A HA 0.712 6.050 4.320 1.696 0.000 0.279 135 A C -1.772 175.878 177.584 0.111 0.000 1.109 135 A CA -0.537 51.574 52.037 0.123 0.000 0.763 135 A CB 0.630 19.697 19.000 0.111 0.000 1.257 135 A HN 0.496 nan 8.150 nan 0.000 0.424 136 V N 2.291 122.254 119.914 0.082 0.000 2.604 136 V HA 0.843 5.981 4.120 1.696 0.000 0.305 136 V C 1.019 177.177 176.094 0.107 0.000 1.043 136 V CA 0.701 63.042 62.300 0.068 0.000 0.888 136 V CB 0.939 32.777 31.823 0.025 0.000 0.995 136 V HN 2.275 nan 8.190 nan 0.000 0.429 137 G N 4.877 113.746 108.800 0.114 0.000 2.539 137 G HA2 -0.238 4.740 3.960 1.696 0.000 0.256 137 G HA3 -0.238 4.740 3.960 1.696 0.000 0.256 137 G C 0.683 175.686 174.900 0.171 0.000 1.233 137 G CA 0.440 45.622 45.100 0.137 0.000 0.936 137 G HN 0.659 nan 8.290 nan 0.000 0.571 138 R N -0.637 119.963 120.500 0.168 0.000 2.241 138 R HA -0.032 5.326 4.340 1.696 0.000 0.224 138 R C 2.257 178.618 176.300 0.101 0.000 1.101 138 R CA 1.600 57.764 56.100 0.106 0.000 0.995 138 R CB -0.299 29.994 30.300 -0.012 0.000 0.870 138 R HN 0.618 nan 8.270 nan 0.000 0.463 139 Y N 0.694 121.011 120.300 0.028 0.000 2.384 139 Y HA -0.199 5.367 4.550 1.693 0.000 0.289 139 Y C 2.199 178.164 175.900 0.109 0.000 1.152 139 Y CA 0.783 58.956 58.100 0.122 0.000 1.258 139 Y CB -0.164 38.410 38.460 0.189 0.000 0.979 139 Y HN 0.025 nan 8.280 nan 0.000 0.549 140 I N -0.183 120.518 120.570 0.218 0.000 2.090 140 I HA -0.277 4.911 4.170 1.696 0.000 0.236 140 I C 1.994 178.155 176.117 0.073 0.000 1.064 140 I CA 1.512 62.891 61.300 0.131 0.000 1.324 140 I CB -0.313 37.744 38.000 0.095 0.000 1.044 140 I HN 0.109 nan 8.210 nan 0.000 0.399 141 E N -0.122 120.110 120.200 0.053 0.000 2.150 141 E HA -0.184 5.184 4.350 1.696 0.000 0.193 141 E C 2.138 178.676 176.600 -0.103 0.000 0.985 141 E CA 1.005 57.400 56.400 -0.009 0.000 0.814 141 E CB -0.214 29.486 29.700 0.001 0.000 0.752 141 E HN 0.505 nan 8.360 nan 0.000 0.466 142 H N -1.856 117.026 119.070 -0.312 0.000 2.363 142 H HA -0.019 5.554 4.556 1.695 0.000 0.301 142 H C 0.921 175.854 175.328 -0.658 0.000 1.074 142 H CA 1.420 57.076 56.048 -0.653 0.000 1.354 142 H CB 0.329 29.364 29.762 -1.212 0.000 1.397 142 H HN 0.321 nan 8.280 nan 0.000 0.516 143 Y N -1.760 118.614 120.300 0.123 0.000 2.441 143 Y HA 0.010 5.583 4.550 1.704 0.000 0.266 143 Y C 2.000 177.966 175.900 0.110 0.000 1.093 143 Y CA -0.364 57.798 58.100 0.103 0.000 1.246 143 Y CB 0.227 38.744 38.460 0.094 0.000 1.262 143 Y HN -0.051 nan 8.280 nan 0.000 0.518 144 L N 1.500 122.849 121.223 0.210 0.000 2.012 144 L HA -0.201 5.157 4.340 1.696 0.000 0.210 144 L C 2.255 179.194 176.870 0.116 0.000 1.073 144 L CA 2.046 56.972 54.840 0.144 0.000 0.748 144 L CB -0.532 41.571 42.059 0.074 0.000 0.891 144 L HN 0.304 nan 8.230 nan 0.000 0.431 145 E N -0.765 119.473 120.200 0.063 0.000 2.051 145 E HA -0.244 5.124 4.350 1.696 0.000 0.192 145 E C 2.020 178.646 176.600 0.044 0.000 0.991 145 E CA 1.432 57.843 56.400 0.019 0.000 0.799 145 E CB -0.071 29.627 29.700 -0.003 0.000 0.748 145 E HN 0.612 nan 8.360 nan 0.000 0.449 146 E N -0.318 119.941 120.200 0.098 0.000 2.118 146 E HA -0.202 5.166 4.350 1.696 0.000 0.195 146 E C 1.866 178.549 176.600 0.139 0.000 0.992 146 E CA 1.060 57.530 56.400 0.117 0.000 0.804 146 E CB -0.210 29.588 29.700 0.163 0.000 0.741 146 E HN 0.286 nan 8.360 nan 0.000 0.458 147 F N 1.363 121.341 119.950 0.047 0.000 2.084 147 F HA -0.161 5.378 4.527 1.686 0.000 0.296 147 F C 1.968 177.727 175.800 -0.069 0.000 1.111 147 F CA 1.298 59.318 58.000 0.035 0.000 1.224 147 F CB -0.133 38.873 39.000 0.011 0.000 0.991 147 F HN -0.104 nan 8.300 nan 0.000 0.471 148 L N -0.564 120.626 121.223 -0.055 0.000 2.046 148 L HA -0.221 5.137 4.340 1.696 0.000 0.208 148 L C 2.344 178.998 176.870 -0.360 0.000 1.077 148 L CA 1.750 56.374 54.840 -0.360 0.000 0.747 148 L CB -1.245 40.645 42.059 -0.282 0.000 0.896 148 L HN 0.149 nan 8.230 nan 0.000 0.432 149 T N -0.618 113.826 114.554 -0.184 0.000 2.746 149 T HA -0.172 5.196 4.350 1.696 0.000 0.267 149 T C 2.137 176.747 174.700 -0.151 0.000 1.039 149 T CA 1.724 63.744 62.100 -0.135 0.000 1.142 149 T CB -0.203 68.629 68.868 -0.060 0.000 0.866 149 T HN 0.558 nan 8.240 nan 0.000 0.444 150 S N 1.750 117.379 115.700 -0.119 0.000 2.387 150 S HA 0.116 5.603 4.470 1.696 0.000 0.226 150 S C 2.436 176.888 174.600 -0.246 0.000 1.026 150 S CA 0.781 58.967 58.200 -0.024 0.000 0.972 150 S CB -0.551 62.765 63.200 0.192 0.000 0.814 150 S HN 0.475 nan 8.310 nan 0.000 0.477 151 A N 2.753 125.218 122.820 -0.593 0.000 1.902 151 A HA -0.105 5.233 4.320 1.696 0.000 0.217 151 A C 2.097 179.425 177.584 -0.426 0.000 1.181 151 A CA 1.798 53.184 52.037 -1.086 0.000 0.623 151 A CB -1.333 16.879 19.000 -1.312 0.000 0.818 151 A HN 0.646 nan 8.150 nan 0.000 0.443 152 N N -0.091 118.451 118.700 -0.264 0.000 2.149 152 N HA -0.208 5.550 4.740 1.696 0.000 0.188 152 N C 1.669 177.139 175.510 -0.068 0.000 1.019 152 N CA 2.114 55.179 53.050 0.026 0.000 0.857 152 N CB -0.251 38.233 38.487 -0.006 0.000 0.997 152 N HN 0.571 nan 8.380 nan 0.000 0.426 153 K N -1.677 118.591 120.400 -0.219 0.000 2.243 153 K HA -0.052 5.286 4.320 1.696 0.000 0.201 153 K C 0.868 177.215 176.600 -0.422 0.000 1.051 153 K CA 0.925 57.002 56.287 -0.351 0.000 0.970 153 K CB 0.061 32.248 32.500 -0.522 0.000 0.755 153 K HN 0.388 nan 8.250 nan 0.000 0.465 154 H N -1.797 117.214 119.070 -0.098 0.000 3.058 154 H HA 0.064 5.645 4.556 1.708 0.000 0.258 154 H C -0.554 174.758 175.328 -0.028 0.000 1.015 154 H CA -0.316 55.712 56.048 -0.033 0.000 1.210 154 H CB 0.210 30.017 29.762 0.075 0.000 1.481 154 H HN 0.029 nan 8.280 nan 0.000 0.492 155 F N 3.609 123.384 119.950 -0.291 0.000 2.444 155 F HA 0.182 5.712 4.527 1.670 0.000 0.360 155 F C 0.736 176.525 175.800 -0.019 0.000 1.106 155 F CA -0.631 57.230 58.000 -0.231 0.000 1.170 155 F CB 0.367 39.077 39.000 -0.484 0.000 1.113 155 F HN -0.019 nan 8.300 nan 0.000 0.521 156 M N 5.084 124.411 119.600 -0.455 0.000 2.253 156 M HA -0.194 5.304 4.480 1.696 0.000 0.199 156 M C -0.431 175.851 176.300 -0.031 0.000 0.342 156 M CA 0.332 55.441 55.300 -0.320 0.000 0.417 156 M CB -2.888 29.368 32.600 -0.573 0.000 1.338 156 M HN 0.177 nan 8.290 nan 0.000 0.920 157 V N 0.468 120.389 119.914 0.011 0.000 2.617 157 V HA 0.316 5.454 4.120 1.696 0.000 0.304 157 V C 1.720 177.800 176.094 -0.022 0.000 1.040 157 V CA 1.760 64.067 62.300 0.010 0.000 1.149 157 V CB 0.803 32.641 31.823 0.025 0.000 0.914 157 V HN 1.006 nan 8.190 nan 0.000 0.487 158 G N 3.489 112.221 108.800 -0.114 0.000 2.176 158 G HA2 -0.162 4.816 3.960 1.696 0.000 0.232 158 G HA3 -0.162 4.816 3.960 1.696 0.000 0.232 158 G C 0.025 174.587 174.900 -0.563 0.000 0.986 158 G CA 0.015 44.933 45.100 -0.303 0.000 0.643 158 G HN 0.785 nan 8.290 nan 0.000 0.522 159 H N -0.012 119.031 119.070 -0.045 0.000 2.768 159 H HA 0.414 5.987 4.556 1.696 0.000 0.371 159 H C -2.760 172.530 175.328 -0.063 0.000 1.151 159 H CA -1.820 54.200 56.048 -0.047 0.000 1.165 159 H CB 2.044 31.766 29.762 -0.067 0.000 1.722 159 H HN 0.011 nan 8.280 nan 0.000 0.543 160 P HA 0.028 nan 4.420 nan 0.000 0.264 160 P C -0.570 176.715 177.300 -0.026 0.000 1.193 160 P CA 0.090 63.188 63.100 -0.003 0.000 0.763 160 P CB 0.649 32.354 31.700 0.008 0.000 0.810 161 V N 5.350 125.196 119.914 -0.113 0.000 2.789 161 V HA 0.454 5.592 4.120 1.696 0.000 0.311 161 V C -0.046 175.825 176.094 -0.373 0.000 1.073 161 V CA -0.524 61.662 62.300 -0.190 0.000 0.921 161 V CB 2.166 33.847 31.823 -0.235 0.000 1.009 161 V HN 0.352 nan 8.190 nan 0.000 0.426 162 I N 4.119 124.467 120.570 -0.370 0.000 2.410 162 I HA 0.455 5.643 4.170 1.696 0.000 0.286 162 I C -1.003 174.755 176.117 -0.599 0.000 1.009 162 I CA -0.198 60.810 61.300 -0.488 0.000 1.111 162 I CB 1.551 39.290 38.000 -0.436 0.000 1.262 162 I HN 0.433 nan 8.210 nan 0.000 0.443 163 F N 5.512 125.330 119.950 -0.219 0.000 2.411 163 F HA 0.360 5.902 4.527 1.690 0.000 0.355 163 F C -0.322 175.379 175.800 -0.165 0.000 1.117 163 F CA -0.630 57.281 58.000 -0.148 0.000 1.139 163 F CB 0.651 39.635 39.000 -0.027 0.000 1.120 163 F HN 0.316 nan 8.300 nan 0.000 0.493 164 Y N 4.422 124.913 120.300 0.318 0.000 2.385 164 Y HA 0.477 6.043 4.550 1.693 0.000 0.341 164 Y C -0.012 175.962 175.900 0.123 0.000 0.965 164 Y CA -0.738 57.518 58.100 0.259 0.000 1.180 164 Y CB 0.694 39.288 38.460 0.223 0.000 1.139 164 Y HN 0.359 nan 8.280 nan 0.000 0.502 165 I N 4.938 125.659 120.570 0.253 0.000 2.339 165 I HA 0.323 5.511 4.170 1.696 0.000 0.290 165 I C -0.663 175.459 176.117 0.010 0.000 0.994 165 I CA -0.651 60.689 61.300 0.066 0.000 1.191 165 I CB 1.095 39.124 38.000 0.049 0.000 1.343 165 I HN 0.480 nan 8.210 nan 0.000 0.458 166 M N 7.926 127.390 119.600 -0.227 0.000 2.114 166 M HA 0.468 5.966 4.480 1.696 0.000 0.332 166 M C -0.507 175.716 176.300 -0.128 0.000 1.014 166 M CA -0.560 54.570 55.300 -0.284 0.000 0.956 166 M CB 1.566 33.624 32.600 -0.902 0.000 1.551 166 M HN 0.409 nan 8.290 nan 0.000 0.427 167 V N -0.027 119.883 119.914 -0.006 0.000 3.078 167 V HA 0.692 5.830 4.120 1.696 0.000 0.311 167 V C 0.070 176.201 176.094 0.061 0.000 1.138 167 V CA -0.766 61.557 62.300 0.039 0.000 1.007 167 V CB 2.207 34.053 31.823 0.039 0.000 1.045 167 V HN 0.859 nan 8.190 nan 0.000 0.432 168 D N -0.222 120.218 120.400 0.066 0.000 2.348 168 D HA 0.057 5.715 4.640 1.696 0.000 0.211 168 D C -0.002 176.332 176.300 0.056 0.000 0.998 168 D CA 0.554 54.593 54.000 0.064 0.000 0.873 168 D CB 0.547 41.384 40.800 0.063 0.000 0.925 168 D HN 0.667 nan 8.370 nan 0.000 0.524 169 D N 0.914 121.346 120.400 0.053 0.000 2.386 169 D HA 0.027 5.684 4.640 1.696 0.000 0.247 169 D C 1.368 177.693 176.300 0.042 0.000 1.336 169 D CA -0.569 53.459 54.000 0.045 0.000 0.976 169 D CB 1.955 42.781 40.800 0.043 0.000 1.257 169 D HN -0.133 nan 8.370 nan 0.000 0.570 170 V N 2.052 121.990 119.914 0.040 0.000 2.720 170 V HA -0.115 5.022 4.120 1.696 0.000 0.256 170 V C 1.797 177.911 176.094 0.032 0.000 1.082 170 V CA 1.983 64.305 62.300 0.037 0.000 1.101 170 V CB -0.872 30.972 31.823 0.034 0.000 0.693 170 V HN 0.486 nan 8.190 nan 0.000 0.479 171 S N 0.750 116.468 115.700 0.029 0.000 2.515 171 S HA -0.007 5.480 4.470 1.696 0.000 0.231 171 S C 1.819 176.433 174.600 0.023 0.000 0.987 171 S CA 0.755 58.970 58.200 0.025 0.000 0.936 171 S CB -0.519 62.694 63.200 0.022 0.000 0.766 171 S HN 0.739 nan 8.310 nan 0.000 0.528 172 R N 0.088 120.604 120.500 0.026 0.000 2.362 172 R HA 0.350 5.708 4.340 1.696 0.000 0.227 172 R C 0.175 176.487 176.300 0.020 0.000 0.905 172 R CA -0.178 55.937 56.100 0.024 0.000 1.067 172 R CB -0.149 30.170 30.300 0.032 0.000 1.078 172 R HN 0.482 nan 8.270 nan 0.000 0.516 173 M N 2.945 122.557 119.600 0.020 0.000 2.307 173 M HA 0.176 5.673 4.480 1.696 0.000 0.346 173 M C -2.383 173.911 176.300 -0.010 0.000 1.552 173 M CA -1.472 53.833 55.300 0.007 0.000 1.116 173 M CB 0.561 33.173 32.600 0.021 0.000 1.889 173 M HN -0.280 nan 8.290 nan 0.000 0.460 174 P HA 0.061 nan 4.420 nan 0.000 0.270 174 P C -1.190 176.062 177.300 -0.079 0.000 1.242 174 P CA -0.195 62.880 63.100 -0.042 0.000 0.768 174 P CB 0.347 32.022 31.700 -0.041 0.000 0.820 175 L N 6.305 127.502 121.223 -0.043 0.000 2.315 175 L HA 0.318 5.676 4.340 1.696 0.000 0.278 175 L C 0.268 177.118 176.870 -0.035 0.000 1.088 175 L CA -0.411 54.408 54.840 -0.035 0.000 0.899 175 L CB -0.897 41.191 42.059 0.049 0.000 1.277 175 L HN 0.352 nan 8.230 nan 0.000 0.431 176 I N 0.207 120.724 120.570 -0.089 0.000 2.934 176 I HA 0.433 5.621 4.170 1.696 0.000 0.315 176 I C 0.224 176.334 176.117 -0.012 0.000 0.997 176 I CA -0.794 60.473 61.300 -0.055 0.000 1.184 176 I CB 1.161 39.110 38.000 -0.084 0.000 1.400 176 I HN 0.498 nan 8.210 nan 0.000 0.549 177 E N 3.243 123.445 120.200 0.003 0.000 2.289 177 E HA 0.397 5.765 4.350 1.696 0.000 0.278 177 E C -1.291 175.330 176.600 0.035 0.000 1.032 177 E CA -0.586 55.833 56.400 0.031 0.000 0.854 177 E CB 1.017 30.729 29.700 0.019 0.000 1.046 177 E HN 0.549 nan 8.360 nan 0.000 0.409 178 L N 3.253 124.522 121.223 0.077 0.000 2.344 178 L HA 0.534 5.891 4.340 1.696 0.000 0.272 178 L C 0.867 177.772 176.870 0.058 0.000 1.035 178 L CA -0.778 54.119 54.840 0.095 0.000 0.807 178 L CB 1.595 43.761 42.059 0.178 0.000 1.237 178 L HN 0.664 nan 8.230 nan 0.000 0.442 179 G N 0.858 109.684 108.800 0.045 0.000 2.532 179 G HA2 0.506 5.483 3.960 1.696 0.000 0.291 179 G HA3 0.506 5.483 3.960 1.696 0.000 0.291 179 G C -2.665 172.240 174.900 0.008 0.000 1.349 179 G CA -1.318 43.791 45.100 0.016 0.000 1.038 179 G HN 0.342 nan 8.290 nan 0.000 0.518 180 P HA 0.150 nan 4.420 nan 0.000 0.264 180 P C 0.531 177.815 177.300 -0.026 0.000 1.183 180 P CA 0.330 63.420 63.100 -0.017 0.000 0.763 180 P CB 0.363 32.050 31.700 -0.021 0.000 0.807 181 L N -1.220 119.983 121.223 -0.033 0.000 4.696 181 L HA -0.277 5.081 4.340 1.696 0.000 0.425 181 L C 0.246 177.070 176.870 -0.076 0.000 1.115 181 L CA 0.732 55.544 54.840 -0.048 0.000 0.996 181 L CB -1.176 40.853 42.059 -0.049 0.000 2.077 181 L HN 0.498 nan 8.230 nan 0.000 0.792 182 R N 0.229 120.689 120.500 -0.067 0.000 2.637 182 R HA 0.802 6.159 4.340 1.696 0.000 0.291 182 R C -0.045 176.219 176.300 -0.060 0.000 0.963 182 R CA 0.333 56.360 56.100 -0.122 0.000 0.901 182 R CB 2.106 32.401 30.300 -0.008 0.000 1.160 182 R HN 0.257 nan 8.270 nan 0.000 0.457 183 S N 1.104 116.740 115.700 -0.107 0.000 2.643 183 S HA 0.818 6.306 4.470 1.696 0.000 0.270 183 S C -1.225 173.421 174.600 0.077 0.000 1.166 183 S CA -0.945 57.255 58.200 -0.001 0.000 0.815 183 S CB 1.262 64.410 63.200 -0.087 0.000 1.139 183 S HN 0.569 nan 8.310 nan 0.000 0.472 184 F N -1.300 118.605 119.950 -0.075 0.000 2.877 184 F HA 0.890 6.435 4.527 1.697 0.000 0.319 184 F C -2.038 173.718 175.800 -0.074 0.000 1.174 184 F CA -1.045 56.919 58.000 -0.059 0.000 0.903 184 F CB 1.061 40.117 39.000 0.093 0.000 1.357 184 F HN 0.992 nan 8.300 nan 0.000 0.472 185 K N 0.872 121.305 120.400 0.055 0.000 2.562 185 K HA 0.744 6.082 4.320 1.696 0.000 0.267 185 K C -2.430 174.166 176.600 -0.007 0.000 0.938 185 K CA -1.010 55.173 56.287 -0.172 0.000 0.840 185 K CB 2.436 34.774 32.500 -0.270 0.000 1.390 185 K HN 0.626 nan 8.250 nan 0.000 0.428 186 V N 2.120 121.922 119.914 -0.187 0.000 2.581 186 V HA 0.598 5.736 4.120 1.696 0.000 0.303 186 V C -1.086 174.750 176.094 -0.431 0.000 1.041 186 V CA -0.674 61.549 62.300 -0.128 0.000 0.907 186 V CB 0.952 32.812 31.823 0.062 0.000 0.994 186 V HN 0.668 nan 8.190 nan 0.000 0.442 187 F N 1.946 121.922 119.950 0.044 0.000 2.551 187 F HA 0.531 6.075 4.527 1.694 0.000 0.316 187 F C 0.102 175.911 175.800 0.015 0.000 1.089 187 F CA -0.773 57.252 58.000 0.041 0.000 0.915 187 F CB 1.988 41.032 39.000 0.073 0.000 1.186 187 F HN 0.310 nan 8.300 nan 0.000 0.456 188 K N 5.160 125.690 120.400 0.216 0.000 2.227 188 K HA 0.631 5.969 4.320 1.696 0.000 0.280 188 K C -0.888 175.793 176.600 0.135 0.000 1.041 188 K CA -0.319 56.047 56.287 0.132 0.000 0.905 188 K CB 0.661 33.218 32.500 0.094 0.000 1.068 188 K HN 0.773 nan 8.250 nan 0.000 0.470 189 I N 0.051 120.684 120.570 0.105 0.000 2.910 189 I HA 0.458 5.646 4.170 1.696 0.000 0.310 189 I C -0.631 175.534 176.117 0.080 0.000 1.043 189 I CA -1.263 60.097 61.300 0.100 0.000 1.053 189 I CB 1.695 39.765 38.000 0.116 0.000 1.242 189 I HN 0.488 nan 8.210 nan 0.000 0.452 190 K N 4.010 124.451 120.400 0.069 0.000 2.350 190 K HA 0.369 5.707 4.320 1.696 0.000 0.279 190 K C -2.360 174.270 176.600 0.051 0.000 1.027 190 K CA -1.367 54.951 56.287 0.051 0.000 0.969 190 K CB 0.629 33.152 32.500 0.038 0.000 0.954 190 K HN 0.494 nan 8.250 nan 0.000 0.474 191 P HA 0.138 nan 4.420 nan 0.000 0.292 191 P C -1.000 176.314 177.300 0.023 0.000 1.326 191 P CA -0.351 62.772 63.100 0.038 0.000 0.787 191 P CB 1.071 32.796 31.700 0.042 0.000 0.903 192 E N 2.995 123.201 120.200 0.011 0.000 2.390 192 E HA 0.030 5.398 4.350 1.696 0.000 0.261 192 E C 0.982 177.578 176.600 -0.005 0.000 1.076 192 E CA -0.151 56.246 56.400 -0.006 0.000 0.905 192 E CB 0.893 30.577 29.700 -0.027 0.000 0.984 192 E HN 0.306 nan 8.360 nan 0.000 0.427 193 K N 1.277 121.669 120.400 -0.013 0.000 2.057 193 K HA -0.069 5.269 4.320 1.696 0.000 0.206 193 K C 0.691 177.281 176.600 -0.016 0.000 1.050 193 K CA 1.168 57.450 56.287 -0.008 0.000 0.935 193 K CB 0.051 32.543 32.500 -0.014 0.000 0.715 193 K HN 0.241 nan 8.250 nan 0.000 0.439 194 R N 0.642 121.101 120.500 -0.069 0.000 2.407 194 R HA 0.114 5.471 4.340 1.696 0.000 0.303 194 R C 0.898 177.103 176.300 -0.158 0.000 0.981 194 R CA -0.498 55.515 56.100 -0.145 0.000 0.905 194 R CB 0.646 30.791 30.300 -0.258 0.000 1.099 194 R HN 0.330 nan 8.270 nan 0.000 0.459 195 W N 2.888 124.119 121.300 -0.115 0.000 2.392 195 W HA -0.188 5.488 4.660 1.695 0.000 0.279 195 W C 0.415 176.800 176.519 -0.223 0.000 1.225 195 W CA 0.676 57.924 57.345 -0.163 0.000 1.233 195 W CB -0.316 29.054 29.460 -0.151 0.000 1.122 195 W HN 0.566 nan 8.180 nan 0.000 0.561 196 Q N 1.203 120.342 119.800 -1.101 0.000 2.124 196 Q HA -0.160 5.198 4.340 1.696 0.000 0.202 196 Q C 1.821 177.541 176.000 -0.467 0.000 0.977 196 Q CA 2.315 57.441 55.803 -1.129 0.000 0.850 196 Q CB -0.524 27.447 28.738 -1.279 0.000 0.901 196 Q HN 0.225 nan 8.270 nan 0.000 0.429 197 D N -0.258 119.947 120.400 -0.325 0.000 2.234 197 D HA -0.030 5.628 4.640 1.696 0.000 0.205 197 D C 1.763 177.994 176.300 -0.116 0.000 0.962 197 D CA 0.623 54.525 54.000 -0.162 0.000 0.855 197 D CB 0.105 40.834 40.800 -0.119 0.000 0.951 197 D HN 0.276 nan 8.370 nan 0.000 0.500 198 I N 0.539 121.040 120.570 -0.115 0.000 2.226 198 I HA -0.252 4.936 4.170 1.696 0.000 0.245 198 I C 2.567 178.589 176.117 -0.158 0.000 1.100 198 I CA 0.800 62.039 61.300 -0.101 0.000 1.374 198 I CB -0.169 37.784 38.000 -0.078 0.000 1.057 198 I HN -0.068 nan 8.210 nan 0.000 0.413 199 S N 0.624 116.248 115.700 -0.128 0.000 2.355 199 S HA -0.145 5.343 4.470 1.696 0.000 0.222 199 S C 2.126 176.648 174.600 -0.129 0.000 1.031 199 S CA 1.294 59.420 58.200 -0.123 0.000 0.993 199 S CB -0.088 63.111 63.200 -0.001 0.000 0.859 199 S HN 0.268 nan 8.310 nan 0.000 0.453 200 M N -0.058 119.494 119.600 -0.081 0.000 2.200 200 M HA -0.001 5.497 4.480 1.696 0.000 0.265 200 M C 2.242 178.540 176.300 -0.002 0.000 1.066 200 M CA 1.161 56.454 55.300 -0.012 0.000 1.127 200 M CB -0.369 32.245 32.600 0.024 0.000 1.379 200 M HN 0.359 nan 8.290 nan 0.000 0.420 201 M N 0.539 120.110 119.600 -0.049 0.000 2.446 201 M HA -0.116 5.382 4.480 1.696 0.000 0.263 201 M C 1.855 177.980 176.300 -0.291 0.000 1.066 201 M CA 1.658 56.892 55.300 -0.110 0.000 1.087 201 M CB -0.402 32.151 32.600 -0.078 0.000 1.406 201 M HN 0.058 nan 8.290 nan 0.000 0.459 202 R N -1.067 119.188 120.500 -0.408 0.000 2.117 202 R HA -0.176 5.182 4.340 1.696 0.000 0.243 202 R C 1.975 178.077 176.300 -0.329 0.000 1.143 202 R CA 1.638 57.319 56.100 -0.698 0.000 0.968 202 R CB -0.484 29.205 30.300 -1.018 0.000 0.863 202 R HN 0.387 nan 8.270 nan 0.000 0.444 203 M N 0.798 120.262 119.600 -0.228 0.000 2.108 203 M HA -0.195 5.303 4.480 1.696 0.000 0.261 203 M C 2.182 178.307 176.300 -0.292 0.000 1.066 203 M CA 1.650 56.858 55.300 -0.153 0.000 1.107 203 M CB -0.804 31.774 32.600 -0.036 0.000 1.356 203 M HN 0.088 nan 8.290 nan 0.000 0.406 204 K N -0.286 119.716 120.400 -0.662 0.000 2.001 204 K HA -0.126 5.212 4.320 1.696 0.000 0.208 204 K C 1.854 178.242 176.600 -0.354 0.000 1.048 204 K CA 1.897 57.683 56.287 -0.836 0.000 0.932 204 K CB -0.040 31.556 32.500 -1.507 0.000 0.715 204 K HN 0.239 nan 8.250 nan 0.000 0.437 205 T N 1.758 116.187 114.554 -0.208 0.000 2.746 205 T HA -0.111 5.257 4.350 1.696 0.000 0.267 205 T C 1.874 176.643 174.700 0.115 0.000 1.039 205 T CA 1.496 63.617 62.100 0.034 0.000 1.142 205 T CB -0.161 68.833 68.868 0.211 0.000 0.866 205 T HN 0.201 nan 8.240 nan 0.000 0.444 206 I N 1.178 121.794 120.570 0.078 0.000 2.179 206 I HA -0.125 5.063 4.170 1.696 0.000 0.242 206 I C 2.926 179.020 176.117 -0.039 0.000 1.088 206 I CA 1.355 62.679 61.300 0.040 0.000 1.357 206 I CB -0.773 37.269 38.000 0.069 0.000 1.051 206 I HN 0.317 nan 8.210 nan 0.000 0.409 207 G N 0.378 109.134 108.800 -0.073 0.000 2.440 207 G HA2 -0.240 4.738 3.960 1.696 0.000 0.218 207 G HA3 -0.240 4.738 3.960 1.696 0.000 0.218 207 G C 1.496 176.324 174.900 -0.121 0.000 1.154 207 G CA 0.706 45.744 45.100 -0.103 0.000 0.767 207 G HN 0.438 nan 8.290 nan 0.000 0.552 208 E N -0.185 119.946 120.200 -0.115 0.000 2.077 208 E HA -0.138 5.230 4.350 1.696 0.000 0.193 208 E C 2.264 178.714 176.600 -0.252 0.000 0.989 208 E CA 1.119 57.420 56.400 -0.165 0.000 0.800 208 E CB -0.206 29.392 29.700 -0.169 0.000 0.746 208 E HN 0.581 nan 8.360 nan 0.000 0.452 209 H N 0.284 119.186 119.070 -0.281 0.000 2.428 209 H HA 0.000 5.575 4.556 1.698 0.000 0.296 209 H C 2.006 176.967 175.328 -0.613 0.000 1.062 209 H CA 1.022 56.800 56.048 -0.450 0.000 1.350 209 H CB -0.008 29.441 29.762 -0.522 0.000 1.403 209 H HN 0.103 nan 8.280 nan 0.000 0.533 210 I N -0.437 119.939 120.570 -0.325 0.000 2.179 210 I HA -0.254 4.934 4.170 1.696 0.000 0.242 210 I C 1.954 177.881 176.117 -0.317 0.000 1.088 210 I CA 0.946 62.043 61.300 -0.338 0.000 1.357 210 I CB -0.187 37.682 38.000 -0.219 0.000 1.051 210 I HN 0.115 nan 8.210 nan 0.000 0.409 211 V N 0.944 120.716 119.914 -0.238 0.000 2.307 211 V HA -0.262 4.876 4.120 1.696 0.000 0.245 211 V C 2.686 178.685 176.094 -0.159 0.000 1.045 211 V CA 1.965 64.152 62.300 -0.189 0.000 1.024 211 V CB -0.992 30.753 31.823 -0.130 0.000 0.651 211 V HN 0.483 nan 8.190 nan 0.000 0.449 212 A N -0.084 122.643 122.820 -0.155 0.000 1.898 212 A HA -0.200 5.138 4.320 1.696 0.000 0.216 212 A C 2.037 179.689 177.584 0.112 0.000 1.181 212 A CA 2.175 54.192 52.037 -0.033 0.000 0.620 212 A CB -0.372 18.591 19.000 -0.061 0.000 0.819 212 A HN 0.874 nan 8.150 nan 0.000 0.442 213 H N -4.159 114.871 119.070 -0.067 0.000 2.950 213 H HA 0.208 5.782 4.556 1.696 0.000 0.202 213 H C 1.711 177.025 175.328 -0.023 0.000 0.893 213 H CA 0.468 56.539 56.048 0.039 0.000 0.931 213 H CB -0.647 29.172 29.762 0.096 0.000 1.158 213 H HN 0.331 nan 8.280 nan 0.000 0.545 214 I N 2.787 122.966 120.570 -0.652 0.000 2.264 214 I HA -0.316 4.872 4.170 1.696 0.000 0.248 214 I C 2.847 178.839 176.117 -0.209 0.000 1.111 214 I CA 2.283 63.349 61.300 -0.389 0.000 1.382 214 I CB -0.366 37.282 38.000 -0.587 0.000 1.060 214 I HN 0.369 nan 8.210 nan 0.000 0.418 215 Q N 0.339 119.943 119.800 -0.327 0.000 2.291 215 Q HA -0.216 5.142 4.340 1.696 0.000 0.206 215 Q C 1.550 177.380 176.000 -0.283 0.000 0.976 215 Q CA 1.510 57.111 55.803 -0.337 0.000 0.875 215 Q CB -0.335 28.131 28.738 -0.454 0.000 0.927 215 Q HN 0.589 nan 8.270 nan 0.000 0.450 216 H N 0.058 119.120 119.070 -0.012 0.000 2.575 216 H HA 0.195 5.769 4.556 1.697 0.000 0.267 216 H C 0.681 176.036 175.328 0.046 0.000 0.966 216 H CA 0.782 56.840 56.048 0.016 0.000 1.165 216 H CB 0.608 30.390 29.762 0.032 0.000 1.433 216 H HN 0.572 nan 8.280 nan 0.000 0.544 217 E N 0.601 120.897 120.200 0.160 0.000 2.413 217 E HA 0.108 5.476 4.350 1.696 0.000 0.203 217 E C 0.526 177.206 176.600 0.132 0.000 0.957 217 E CA 0.117 56.623 56.400 0.176 0.000 0.950 217 E CB 1.318 31.192 29.700 0.291 0.000 0.957 217 E HN 0.125 nan 8.360 nan 0.000 0.497 218 V N -2.148 117.820 119.914 0.091 0.000 3.130 218 V HA 0.334 5.472 4.120 1.696 0.000 0.310 218 V C -0.260 175.809 176.094 -0.041 0.000 1.158 218 V CA -0.856 61.482 62.300 0.063 0.000 1.029 218 V CB 2.296 34.202 31.823 0.138 0.000 1.057 218 V HN -0.160 nan 8.190 nan 0.000 0.436 219 D N 0.563 120.912 120.400 -0.085 0.000 2.277 219 D HA 0.225 5.883 4.640 1.696 0.000 0.209 219 D C -0.305 175.584 176.300 -0.684 0.000 0.970 219 D CA 1.607 55.403 54.000 -0.340 0.000 0.874 219 D CB 0.505 41.145 40.800 -0.267 0.000 0.982 219 D HN 0.510 nan 8.370 nan 0.000 0.504 220 F N -0.106 119.811 119.950 -0.055 0.000 2.613 220 F HA 0.467 6.019 4.527 1.707 0.000 0.314 220 F C -0.676 175.104 175.800 -0.034 0.000 1.075 220 F CA -1.164 56.781 58.000 -0.091 0.000 0.945 220 F CB 2.156 41.062 39.000 -0.157 0.000 1.310 220 F HN -0.334 nan 8.300 nan 0.000 0.467 221 L N 1.763 123.042 121.223 0.093 0.000 2.455 221 L HA 0.699 6.057 4.340 1.696 0.000 0.264 221 L C -2.088 174.732 176.870 -0.082 0.000 0.968 221 L CA -0.442 54.451 54.840 0.088 0.000 0.827 221 L CB 1.665 43.749 42.059 0.042 0.000 1.317 221 L HN 0.459 nan 8.230 nan 0.000 0.407 222 F N 2.937 122.982 119.950 0.158 0.000 2.508 222 F HA 0.627 6.195 4.527 1.736 0.000 0.325 222 F C -0.354 175.379 175.800 -0.112 0.000 1.090 222 F CA -0.337 57.690 58.000 0.044 0.000 0.945 222 F CB 1.900 40.998 39.000 0.163 0.000 1.156 222 F HN 0.416 nan 8.300 nan 0.000 0.463 223 C N 4.953 124.137 119.300 -0.193 0.000 2.301 223 C HA 0.756 6.234 4.460 1.696 0.000 0.323 223 C C -0.183 174.605 174.990 -0.337 0.000 1.265 223 C CA -1.022 57.767 59.018 -0.382 0.000 1.503 223 C CB -0.209 27.000 27.740 -0.886 0.000 2.195 223 C HN 0.707 nan 8.230 nan 0.000 0.477 224 M N 1.580 121.097 119.600 -0.139 0.000 2.644 224 M HA 0.392 5.890 4.480 1.696 0.000 0.304 224 M C -0.952 175.230 176.300 -0.196 0.000 1.215 224 M CA -0.473 54.746 55.300 -0.135 0.000 0.871 224 M CB 1.690 34.268 32.600 -0.036 0.000 1.740 224 M HN 0.501 nan 8.290 nan 0.000 0.464 225 D N 0.733 121.006 120.400 -0.211 0.000 2.357 225 D HA 0.090 5.747 4.640 1.696 0.000 0.242 225 D C 0.423 176.485 176.300 -0.396 0.000 1.153 225 D CA -0.010 53.853 54.000 -0.228 0.000 0.918 225 D CB 1.635 42.304 40.800 -0.217 0.000 1.181 225 D HN 0.326 nan 8.370 nan 0.000 0.435 226 V N 1.234 120.945 119.914 -0.338 0.000 3.174 226 V HA -0.067 5.071 4.120 1.696 0.000 0.254 226 V C 0.468 176.440 176.094 -0.203 0.000 1.120 226 V CA 0.684 62.713 62.300 -0.451 0.000 1.114 226 V CB -0.182 31.542 31.823 -0.166 0.000 0.756 226 V HN 0.572 nan 8.190 nan 0.000 0.467 227 D N 1.901 122.130 120.400 -0.285 0.000 2.982 227 D HA 0.060 5.718 4.640 1.696 0.000 0.238 227 D C 0.209 176.331 176.300 -0.297 0.000 1.168 227 D CA -0.075 53.547 54.000 -0.629 0.000 0.947 227 D CB -0.262 40.069 40.800 -0.781 0.000 1.147 227 D HN 0.782 nan 8.370 nan 0.000 0.450 228 Q N -1.878 117.892 119.800 -0.051 0.000 2.630 228 Q HA 0.643 6.001 4.340 1.696 0.000 0.295 228 Q C -1.703 174.401 176.000 0.173 0.000 0.944 228 Q CA -1.224 54.614 55.803 0.059 0.000 0.766 228 Q CB 1.713 30.448 28.738 -0.005 0.000 1.471 228 Q HN -0.047 nan 8.270 nan 0.000 0.416 229 V N 1.066 121.042 119.914 0.103 0.000 2.686 229 V HA 0.447 5.585 4.120 1.696 0.000 0.306 229 V C -1.075 175.043 176.094 0.041 0.000 1.065 229 V CA -0.717 61.650 62.300 0.111 0.000 0.894 229 V CB 1.594 33.518 31.823 0.170 0.000 1.004 229 V HN 0.683 nan 8.190 nan 0.000 0.424 230 F N 3.063 123.012 119.950 -0.002 0.000 2.484 230 F HA 0.284 5.839 4.527 1.712 0.000 0.360 230 F C 1.484 177.298 175.800 0.024 0.000 1.101 230 F CA 0.336 58.353 58.000 0.029 0.000 1.251 230 F CB 0.887 39.926 39.000 0.064 0.000 1.132 230 F HN 0.492 nan 8.300 nan 0.000 0.570 231 Q N 0.753 120.574 119.800 0.035 0.000 2.316 231 Q HA 0.174 5.532 4.340 1.696 0.000 0.235 231 Q C -0.157 175.585 176.000 -0.430 0.000 0.863 231 Q CA 0.447 56.203 55.803 -0.078 0.000 0.939 231 Q CB 1.009 29.783 28.738 0.060 0.000 1.108 231 Q HN 0.668 nan 8.270 nan 0.000 0.522 232 D N -0.272 119.783 120.400 -0.575 0.000 2.779 232 D HA 0.168 5.826 4.640 1.696 0.000 0.331 232 D C -1.010 175.182 176.300 -0.180 0.000 1.331 232 D CA -0.512 53.186 54.000 -0.502 0.000 0.866 232 D CB 1.404 42.116 40.800 -0.147 0.000 1.409 232 D HN -0.246 nan 8.370 nan 0.000 0.486 233 K N 0.826 121.270 120.400 0.075 0.000 2.466 233 K HA 0.043 5.380 4.320 1.696 0.000 0.278 233 K C -0.295 176.436 176.600 0.218 0.000 1.048 233 K CA 0.627 57.035 56.287 0.203 0.000 1.088 233 K CB 0.228 32.829 32.500 0.169 0.000 0.884 233 K HN 0.205 nan 8.250 nan 0.000 0.478 234 F N 3.156 123.207 119.950 0.169 0.000 2.451 234 F HA 0.320 5.944 4.527 1.828 0.000 0.367 234 F C 0.432 176.242 175.800 0.017 0.000 1.100 234 F CA -0.522 57.614 58.000 0.226 0.000 1.171 234 F CB 0.565 39.872 39.000 0.511 0.000 1.405 234 F HN 0.592 nan 8.300 nan 0.000 0.482 235 G N 1.474 110.308 108.800 0.057 0.000 2.828 235 G HA2 0.312 5.290 3.960 1.696 0.000 0.244 235 G HA3 0.312 5.290 3.960 1.696 0.000 0.244 235 G C 0.835 175.615 174.900 -0.201 0.000 1.365 235 G CA -0.112 44.946 45.100 -0.070 0.000 1.041 235 G HN 0.530 nan 8.290 nan 0.000 0.560 236 V N -0.615 119.162 119.914 -0.228 0.000 2.982 236 V HA -0.084 5.054 4.120 1.696 0.000 0.265 236 V C 2.155 178.029 176.094 -0.367 0.000 1.122 236 V CA 2.276 64.366 62.300 -0.349 0.000 1.143 236 V CB -0.746 30.905 31.823 -0.286 0.000 0.726 236 V HN 0.730 nan 8.190 nan 0.000 0.507 237 E N 2.559 122.534 120.200 -0.374 0.000 2.409 237 E HA -0.180 5.188 4.350 1.696 0.000 0.198 237 E C 1.782 178.061 176.600 -0.536 0.000 1.024 237 E CA 1.551 57.644 56.400 -0.512 0.000 0.861 237 E CB -0.755 28.643 29.700 -0.504 0.000 0.788 237 E HN 0.821 nan 8.360 nan 0.000 0.521 238 T N -1.294 112.996 114.554 -0.441 0.000 3.060 238 T HA 0.251 5.619 4.350 1.696 0.000 0.249 238 T C 1.097 175.728 174.700 -0.115 0.000 1.079 238 T CA -0.383 61.522 62.100 -0.326 0.000 1.013 238 T CB -0.231 68.433 68.868 -0.340 0.000 0.975 238 T HN 0.006 nan 8.240 nan 0.000 0.518 239 L N 1.541 122.554 121.223 -0.349 0.000 2.439 239 L HA 0.653 6.011 4.340 1.696 0.000 0.269 239 L C 0.952 177.524 176.870 -0.497 0.000 1.179 239 L CA -0.029 54.444 54.840 -0.612 0.000 0.828 239 L CB 0.595 41.892 42.059 -1.271 0.000 1.106 239 L HN 0.483 nan 8.230 nan 0.000 0.467 240 G N 0.766 109.341 108.800 -0.375 0.000 2.356 240 G HA2 0.131 5.109 3.960 1.696 0.000 0.294 240 G HA3 0.131 5.109 3.960 1.696 0.000 0.294 240 G C -0.120 174.899 174.900 0.197 0.000 1.423 240 G CA -0.470 44.615 45.100 -0.025 0.000 0.806 240 G HN 0.424 nan 8.290 nan 0.000 0.527 241 E N -0.321 120.000 120.200 0.202 0.000 2.038 241 E HA -0.061 5.307 4.350 1.696 0.000 0.195 241 E C 1.327 178.010 176.600 0.138 0.000 1.000 241 E CA 1.963 58.470 56.400 0.178 0.000 0.803 241 E CB -0.187 29.598 29.700 0.141 0.000 0.750 241 E HN 0.712 nan 8.360 nan 0.000 0.448 242 S N -0.338 115.434 115.700 0.121 0.000 2.677 242 S HA 0.521 6.009 4.470 1.696 0.000 0.283 242 S C -0.569 174.066 174.600 0.058 0.000 1.159 242 S CA -0.974 57.312 58.200 0.143 0.000 1.001 242 S CB 1.992 65.336 63.200 0.239 0.000 1.032 242 S HN -0.100 nan 8.310 nan 0.000 0.487 243 V N 2.232 122.179 119.914 0.055 0.000 2.448 243 V HA 0.879 6.017 4.120 1.696 0.000 0.295 243 V C 0.356 176.463 176.094 0.022 0.000 1.025 243 V CA -0.470 61.836 62.300 0.010 0.000 0.859 243 V CB 1.155 33.016 31.823 0.063 0.000 0.988 243 V HN 1.204 nan 8.190 nan 0.000 0.431 244 A N 3.780 126.464 122.820 -0.227 0.000 2.330 244 A HA 0.886 6.224 4.320 1.696 0.000 0.329 244 A C -0.687 176.908 177.584 0.018 0.000 1.135 244 A CA -0.702 51.159 52.037 -0.294 0.000 0.817 244 A CB 1.799 20.062 19.000 -1.227 0.000 1.269 244 A HN 0.757 nan 8.150 nan 0.000 0.469 245 Q N 0.913 120.839 119.800 0.210 0.000 2.322 245 Q HA 0.585 5.943 4.340 1.696 0.000 0.265 245 Q C -1.568 174.637 176.000 0.342 0.000 0.985 245 Q CA -0.179 55.776 55.803 0.253 0.000 0.849 245 Q CB 1.082 30.001 28.738 0.302 0.000 1.274 245 Q HN 0.643 nan 8.270 nan 0.000 0.449 246 L N 3.739 125.090 121.223 0.215 0.000 2.361 246 L HA 0.219 5.577 4.340 1.696 0.000 0.278 246 L C 0.522 177.579 176.870 0.311 0.000 1.113 246 L CA -0.256 54.713 54.840 0.214 0.000 0.849 246 L CB 0.927 43.029 42.059 0.072 0.000 1.155 246 L HN 0.608 nan 8.230 nan 0.000 0.452 247 Q N 2.148 122.180 119.800 0.386 0.000 2.289 247 Q HA 0.049 5.407 4.340 1.696 0.000 0.273 247 Q C 0.848 177.097 176.000 0.414 0.000 1.029 247 Q CA 0.262 56.326 55.803 0.435 0.000 0.896 247 Q CB 1.665 30.715 28.738 0.522 0.000 1.182 247 Q HN 0.842 nan 8.270 nan 0.000 0.385 248 A N 4.360 127.377 122.820 0.327 0.000 1.958 248 A HA -0.209 5.129 4.320 1.696 0.000 0.221 248 A C 1.295 178.868 177.584 -0.018 0.000 1.178 248 A CA 1.566 53.634 52.037 0.052 0.000 0.642 248 A CB -0.615 18.032 19.000 -0.587 0.000 0.816 248 A HN 0.915 nan 8.150 nan 0.000 0.453 249 W N -2.462 118.752 121.300 -0.143 0.000 2.576 249 W HA 0.098 5.778 4.660 1.699 0.000 0.270 249 W C 1.350 177.577 176.519 -0.487 0.000 1.255 249 W CA 0.230 57.321 57.345 -0.423 0.000 1.314 249 W CB -0.333 28.685 29.460 -0.735 0.000 1.101 249 W HN 0.507 nan 8.180 nan 0.000 0.595 250 W N -1.077 120.407 121.300 0.306 0.000 3.005 250 W HA 0.165 5.837 4.660 1.688 0.000 0.374 250 W C 1.680 178.380 176.519 0.301 0.000 1.076 250 W CA -0.638 56.846 57.345 0.232 0.000 1.794 250 W CB -1.204 28.283 29.460 0.046 0.000 1.113 250 W HN 0.005 nan 8.180 nan 0.000 0.584 251 Y N 0.633 121.164 120.300 0.386 0.000 2.384 251 Y HA -0.057 5.538 4.550 1.741 0.000 0.289 251 Y C 1.493 177.650 175.900 0.428 0.000 1.152 251 Y CA 1.426 59.767 58.100 0.402 0.000 1.258 251 Y CB -0.471 38.196 38.460 0.345 0.000 0.979 251 Y HN -0.109 nan 8.280 nan 0.000 0.549 252 K N 0.645 120.915 120.400 -0.216 0.000 2.358 252 K HA 0.437 5.775 4.320 1.696 0.000 0.200 252 K C 0.590 177.235 176.600 0.076 0.000 1.030 252 K CA 0.243 56.437 56.287 -0.155 0.000 1.097 252 K CB 0.583 32.831 32.500 -0.419 0.000 0.862 252 K HN 0.292 nan 8.250 nan 0.000 0.534 253 A N 1.806 124.785 122.820 0.265 0.000 2.304 253 A HA 0.102 5.439 4.320 1.696 0.000 0.271 253 A C -0.577 177.111 177.584 0.173 0.000 1.091 253 A CA -0.328 51.896 52.037 0.313 0.000 0.812 253 A CB 0.318 19.694 19.000 0.627 0.000 1.056 253 A HN 0.197 nan 8.150 nan 0.000 0.489 254 D N 0.801 121.194 120.400 -0.012 0.000 2.351 254 D HA 0.273 5.931 4.640 1.696 0.000 0.251 254 D C -1.216 174.664 176.300 -0.701 0.000 1.137 254 D CA -1.332 52.538 54.000 -0.216 0.000 0.879 254 D CB 0.907 41.633 40.800 -0.124 0.000 1.181 254 D HN 0.183 nan 8.370 nan 0.000 0.448 255 P HA -0.210 nan 4.420 nan 0.000 0.217 255 P C 0.357 177.076 177.300 -0.968 0.000 1.148 255 P CA 1.057 63.073 63.100 -1.806 0.000 0.834 255 P CB 0.152 31.439 31.700 -0.688 0.000 0.783 256 N N -0.085 118.364 118.700 -0.419 0.000 2.571 256 N HA -0.068 5.689 4.740 1.696 0.000 0.189 256 N C 0.751 176.239 175.510 -0.038 0.000 1.154 256 N CA 0.802 53.810 53.050 -0.071 0.000 0.907 256 N CB -0.221 38.284 38.487 0.029 0.000 0.977 256 N HN 0.298 nan 8.380 nan 0.000 0.449 257 D N -0.520 119.744 120.400 -0.227 0.000 2.441 257 D HA 0.103 5.761 4.640 1.696 0.000 0.210 257 D C 0.408 176.512 176.300 -0.327 0.000 1.102 257 D CA -0.159 53.783 54.000 -0.097 0.000 0.840 257 D CB 0.405 41.257 40.800 0.087 0.000 0.990 257 D HN 0.151 nan 8.370 nan 0.000 0.505 258 F N 1.788 121.380 119.950 -0.596 0.000 2.545 258 F HA -0.021 5.530 4.527 1.706 0.000 0.348 258 F C 1.796 176.996 175.800 -1.000 0.000 1.163 258 F CA -0.016 57.321 58.000 -1.103 0.000 1.331 258 F CB 0.673 38.979 39.000 -1.156 0.000 1.138 258 F HN -0.197 nan 8.300 nan 0.000 0.602 259 T N 0.130 114.048 114.554 -1.060 0.000 3.419 259 T HA 0.234 5.601 4.350 1.696 0.000 0.228 259 T C -0.287 174.455 174.700 0.070 0.000 0.939 259 T CA -0.384 61.447 62.100 -0.449 0.000 0.992 259 T CB -1.174 67.442 68.868 -0.420 0.000 1.186 259 T HN 0.347 nan 8.240 nan 0.000 0.612 260 Y N 0.835 121.195 120.300 0.099 0.000 2.330 260 Y HA 0.292 5.858 4.550 1.693 0.000 0.341 260 Y C 1.126 177.067 175.900 0.067 0.000 1.278 260 Y CA -1.363 56.827 58.100 0.150 0.000 1.453 260 Y CB 0.532 39.008 38.460 0.027 0.000 1.342 260 Y HN 0.265 nan 8.280 nan 0.000 0.590 261 E N 1.344 121.669 120.200 0.209 0.000 2.324 261 E HA 0.053 5.421 4.350 1.696 0.000 0.271 261 E C -0.092 176.569 176.600 0.103 0.000 1.028 261 E CA -0.111 56.344 56.400 0.092 0.000 0.890 261 E CB 0.585 30.283 29.700 -0.003 0.000 1.004 261 E HN 0.394 nan 8.360 nan 0.000 0.431 262 R N 3.772 124.332 120.500 0.099 0.000 2.397 262 R HA 0.203 5.561 4.340 1.696 0.000 0.241 262 R C -0.080 176.364 176.300 0.241 0.000 0.914 262 R CA -0.058 56.126 56.100 0.141 0.000 1.071 262 R CB 0.110 30.407 30.300 -0.005 0.000 1.116 262 R HN 0.406 nan 8.270 nan 0.000 0.524 263 R N 1.842 122.402 120.500 0.101 0.000 2.234 263 R HA 0.091 5.449 4.340 1.696 0.000 0.324 263 R C 1.278 177.379 176.300 -0.332 0.000 1.054 263 R CA -0.092 55.956 56.100 -0.088 0.000 0.912 263 R CB 0.914 31.174 30.300 -0.067 0.000 1.030 263 R HN 0.103 nan 8.270 nan 0.000 0.455 264 K N 1.637 121.592 120.400 -0.741 0.000 2.281 264 K HA -0.186 5.152 4.320 1.696 0.000 0.203 264 K C 0.475 176.837 176.600 -0.396 0.000 1.046 264 K CA 1.433 57.112 56.287 -1.013 0.000 0.938 264 K CB 0.149 32.164 32.500 -0.810 0.000 0.737 264 K HN 0.391 nan 8.250 nan 0.000 0.458 265 E N 1.349 121.404 120.200 -0.241 0.000 2.338 265 E HA -0.019 5.349 4.350 1.696 0.000 0.197 265 E C 0.478 177.027 176.600 -0.085 0.000 1.007 265 E CA 0.500 56.821 56.400 -0.133 0.000 0.849 265 E CB 0.159 29.798 29.700 -0.102 0.000 0.774 265 E HN 0.290 nan 8.360 nan 0.000 0.506 266 S N -0.696 114.961 115.700 -0.073 0.000 2.554 266 S HA 0.484 5.972 4.470 1.696 0.000 0.278 266 S C 1.089 175.700 174.600 0.018 0.000 1.242 266 S CA -0.097 58.089 58.200 -0.024 0.000 1.051 266 S CB 1.351 64.528 63.200 -0.039 0.000 0.986 266 S HN 0.169 nan 8.310 nan 0.000 0.502 267 A N 3.737 126.585 122.820 0.047 0.000 2.121 267 A HA 0.217 5.555 4.320 1.696 0.000 0.218 267 A C 1.912 179.523 177.584 0.044 0.000 1.154 267 A CA 1.392 53.471 52.037 0.070 0.000 0.679 267 A CB -0.780 18.288 19.000 0.113 0.000 0.795 267 A HN 1.146 nan 8.150 nan 0.000 0.458 268 A N -1.770 121.004 122.820 -0.076 0.000 2.275 268 A HA 0.301 5.638 4.320 1.696 0.000 0.212 268 A C 0.647 178.174 177.584 -0.095 0.000 1.201 268 A CA -0.425 51.488 52.037 -0.207 0.000 0.843 268 A CB -0.541 18.101 19.000 -0.596 0.000 0.873 268 A HN 0.502 nan 8.150 nan 0.000 0.492 269 Y N 0.881 121.096 120.300 -0.142 0.000 2.810 269 Y HA 0.239 5.808 4.550 1.698 0.000 0.332 269 Y C -0.279 175.531 175.900 -0.150 0.000 1.243 269 Y CA 0.073 58.097 58.100 -0.126 0.000 1.537 269 Y CB -0.037 38.368 38.460 -0.091 0.000 1.265 269 Y HN 0.222 nan 8.280 nan 0.000 0.572 270 I N 9.599 129.725 120.570 -0.739 0.000 2.497 270 I HA 0.261 5.449 4.170 1.696 0.000 0.284 270 I C -2.362 173.202 176.117 -0.922 0.000 1.060 270 I CA -2.167 58.668 61.300 -0.775 0.000 1.071 270 I CB 2.120 39.716 38.000 -0.673 0.000 1.216 270 I HN 0.506 nan 8.210 nan 0.000 0.442 271 P HA 0.137 nan 4.420 nan 0.000 0.272 271 P C -0.569 176.578 177.300 -0.256 0.000 1.230 271 P CA -0.092 62.681 63.100 -0.545 0.000 0.788 271 P CB 0.589 32.132 31.700 -0.263 0.000 0.949 272 F N 0.281 120.228 119.950 -0.006 0.000 2.563 272 F HA 0.313 5.858 4.527 1.697 0.000 0.363 272 F C 2.016 177.811 175.800 -0.008 0.000 1.123 272 F CA 1.946 59.951 58.000 0.008 0.000 1.307 272 F CB -0.204 38.807 39.000 0.017 0.000 1.115 272 F HN 0.698 nan 8.300 nan 0.000 0.592 273 G N 1.219 110.117 108.800 0.163 0.000 2.176 273 G HA2 -0.204 4.774 3.960 1.696 0.000 0.232 273 G HA3 -0.204 4.774 3.960 1.696 0.000 0.232 273 G C -0.193 174.730 174.900 0.039 0.000 0.986 273 G CA -0.267 44.881 45.100 0.080 0.000 0.643 273 G HN 0.583 nan 8.290 nan 0.000 0.522 274 E N -0.660 119.558 120.200 0.030 0.000 2.336 274 E HA 0.621 5.988 4.350 1.696 0.000 0.267 274 E C 0.141 176.804 176.600 0.106 0.000 0.906 274 E CA -0.405 56.004 56.400 0.015 0.000 0.781 274 E CB 2.298 31.958 29.700 -0.066 0.000 1.261 274 E HN 1.531 nan 8.360 nan 0.000 0.436 275 G N 1.475 110.346 108.800 0.117 0.000 2.697 275 G HA2 -0.097 4.881 3.960 1.696 0.000 0.684 275 G HA3 -0.097 4.881 3.960 1.696 0.000 0.684 275 G C -0.575 174.471 174.900 0.244 0.000 1.274 275 G CA -0.632 44.647 45.100 0.297 0.000 0.806 275 G HN 0.533 nan 8.290 nan 0.000 0.644 276 D N 0.001 120.565 120.400 0.273 0.000 2.566 276 D HA 0.289 5.947 4.640 1.696 0.000 0.253 276 D C 0.648 176.790 176.300 -0.263 0.000 0.992 276 D CA 1.307 55.330 54.000 0.039 0.000 0.940 276 D CB 0.378 41.397 40.800 0.364 0.000 1.095 276 D HN 0.322 nan 8.370 nan 0.000 0.480 277 F N -1.228 118.897 119.950 0.292 0.000 2.685 277 F HA 0.329 5.890 4.527 1.724 0.000 0.315 277 F C -1.018 174.440 175.800 -0.571 0.000 1.126 277 F CA -1.315 56.663 58.000 -0.036 0.000 0.950 277 F CB 1.570 40.390 39.000 -0.299 0.000 1.360 277 F HN -0.300 nan 8.300 nan 0.000 0.469 278 Y N 1.767 121.541 120.300 -0.877 0.000 2.369 278 Y HA 0.499 6.064 4.550 1.692 0.000 0.337 278 Y C -1.253 174.477 175.900 -0.283 0.000 0.961 278 Y CA -0.971 56.663 58.100 -0.776 0.000 1.186 278 Y CB 0.305 38.045 38.460 -1.200 0.000 1.139 278 Y HN 0.403 nan 8.280 nan 0.000 0.494 279 Y N 4.307 124.468 120.300 -0.232 0.000 2.299 279 Y HA 0.202 5.760 4.550 1.680 0.000 0.326 279 Y C 0.341 176.242 175.900 0.001 0.000 1.164 279 Y CA -0.493 57.614 58.100 0.013 0.000 1.234 279 Y CB 0.619 39.189 38.460 0.183 0.000 1.219 279 Y HN 0.569 nan 8.280 nan 0.000 0.497 280 H N 1.658 120.887 119.070 0.266 0.000 2.620 280 H HA 0.377 5.941 4.556 1.680 0.000 0.313 280 H C 0.250 175.712 175.328 0.223 0.000 1.075 280 H CA -0.298 55.885 56.048 0.225 0.000 1.397 280 H CB 1.296 31.212 29.762 0.257 0.000 1.446 280 H HN 0.973 nan 8.280 nan 0.000 0.493 281 A N 4.115 127.125 122.820 0.317 0.000 2.235 281 A HA 0.054 5.391 4.320 1.696 0.000 0.208 281 A C 2.063 179.699 177.584 0.085 0.000 1.172 281 A CA 0.811 52.974 52.037 0.210 0.000 0.786 281 A CB -0.349 18.764 19.000 0.187 0.000 0.804 281 A HN 0.799 nan 8.150 nan 0.000 0.479 282 A N -0.434 122.176 122.820 -0.350 0.000 2.119 282 A HA 0.358 5.695 4.320 1.696 0.000 0.217 282 A C 0.734 178.206 177.584 -0.186 0.000 1.153 282 A CA 0.716 52.484 52.037 -0.447 0.000 0.692 282 A CB -0.183 18.204 19.000 -1.021 0.000 0.799 282 A HN 0.447 nan 8.150 nan 0.000 0.458 283 I N -0.481 120.088 120.570 -0.002 0.000 2.610 283 I HA 0.485 5.673 4.170 1.696 0.000 0.289 283 I C -1.277 175.076 176.117 0.393 0.000 1.163 283 I CA -0.689 60.694 61.300 0.138 0.000 1.044 283 I CB 2.169 40.261 38.000 0.154 0.000 1.251 283 I HN 0.295 nan 8.210 nan 0.000 0.424 284 F N 3.733 123.869 119.950 0.309 0.000 2.678 284 F HA 0.961 6.501 4.527 1.688 0.000 0.308 284 F C -0.356 175.603 175.800 0.264 0.000 1.118 284 F CA -0.552 57.635 58.000 0.311 0.000 0.959 284 F CB 1.478 40.627 39.000 0.249 0.000 1.305 284 F HN 0.549 nan 8.300 nan 0.000 0.443 285 G N -0.384 108.550 108.800 0.224 0.000 2.561 285 G HA2 0.829 5.807 3.960 1.696 0.000 0.310 285 G HA3 0.829 5.807 3.960 1.696 0.000 0.310 285 G C -0.772 174.046 174.900 -0.137 0.000 1.292 285 G CA -0.232 44.715 45.100 -0.255 0.000 0.811 285 G HN 2.135 nan 8.290 nan 0.000 0.482 286 G N -1.781 106.882 108.800 -0.229 0.000 2.339 286 G HA2 0.570 5.547 3.960 1.696 0.000 0.275 286 G HA3 0.570 5.547 3.960 1.696 0.000 0.275 286 G C -0.009 174.929 174.900 0.063 0.000 1.323 286 G CA 0.872 45.972 45.100 0.000 0.000 0.927 286 G HN 1.919 nan 8.290 nan 0.000 0.486 287 T N -0.653 113.930 114.554 0.048 0.000 2.860 287 T HA 0.515 5.883 4.350 1.696 0.000 0.299 287 T C -1.353 173.294 174.700 -0.089 0.000 1.045 287 T CA -0.390 61.636 62.100 -0.122 0.000 1.071 287 T CB 1.669 70.436 68.868 -0.168 0.000 0.985 287 T HN 0.204 nan 8.240 nan 0.000 0.537 288 P HA -0.084 nan 4.420 nan 0.000 0.216 288 P C 1.653 178.896 177.300 -0.094 0.000 1.150 288 P CA 1.140 64.172 63.100 -0.114 0.000 0.843 288 P CB -0.216 31.394 31.700 -0.150 0.000 0.787 289 T N -0.634 113.867 114.554 -0.087 0.000 2.708 289 T HA -0.176 5.192 4.350 1.696 0.000 0.266 289 T C 1.808 176.491 174.700 -0.027 0.000 1.037 289 T CA 1.234 63.298 62.100 -0.059 0.000 1.146 289 T CB -0.646 68.194 68.868 -0.047 0.000 0.865 289 T HN 0.150 nan 8.240 nan 0.000 0.435 290 Q N 0.493 120.291 119.800 -0.004 0.000 2.079 290 Q HA 0.013 5.371 4.340 1.696 0.000 0.200 290 Q C 2.674 178.680 176.000 0.009 0.000 0.974 290 Q CA 0.865 56.690 55.803 0.037 0.000 0.840 290 Q CB -0.881 27.906 28.738 0.082 0.000 0.898 290 Q HN 0.402 nan 8.270 nan 0.000 0.430 291 V N 1.435 121.352 119.914 0.005 0.000 2.490 291 V HA -0.223 4.915 4.120 1.696 0.000 0.250 291 V C 2.325 178.394 176.094 -0.042 0.000 1.061 291 V CA 1.289 63.601 62.300 0.019 0.000 1.064 291 V CB -0.663 31.185 31.823 0.042 0.000 0.670 291 V HN 0.221 nan 8.190 nan 0.000 0.461 292 L N 0.957 122.144 121.223 -0.060 0.000 2.046 292 L HA -0.151 5.207 4.340 1.696 0.000 0.208 292 L C 2.071 178.888 176.870 -0.088 0.000 1.077 292 L CA 2.301 57.094 54.840 -0.077 0.000 0.747 292 L CB -0.971 41.040 42.059 -0.080 0.000 0.896 292 L HN 0.368 nan 8.230 nan 0.000 0.432 293 N N -0.486 118.170 118.700 -0.072 0.000 2.142 293 N HA -0.143 5.615 4.740 1.696 0.000 0.186 293 N C 1.805 177.177 175.510 -0.231 0.000 1.023 293 N CA 1.667 54.686 53.050 -0.052 0.000 0.852 293 N CB -0.213 38.310 38.487 0.060 0.000 0.998 293 N HN 0.473 nan 8.380 nan 0.000 0.424 294 I N -0.060 120.233 120.570 -0.461 0.000 2.127 294 I HA -0.313 4.874 4.170 1.696 0.000 0.241 294 I C 2.257 177.973 176.117 -0.668 0.000 1.075 294 I CA 1.743 62.407 61.300 -1.059 0.000 1.334 294 I CB -0.824 36.668 38.000 -0.847 0.000 1.040 294 I HN 0.376 nan 8.210 nan 0.000 0.405 295 T N -1.662 112.686 114.554 -0.343 0.000 2.821 295 T HA -0.203 5.165 4.350 1.696 0.000 0.267 295 T C 1.797 176.419 174.700 -0.130 0.000 1.046 295 T CA 1.094 63.072 62.100 -0.203 0.000 1.139 295 T CB -0.416 68.406 68.868 -0.078 0.000 0.871 295 T HN 0.389 nan 8.240 nan 0.000 0.454 296 Q N 0.325 120.059 119.800 -0.111 0.000 2.046 296 Q HA -0.084 5.274 4.340 1.696 0.000 0.200 296 Q C 2.640 178.631 176.000 -0.015 0.000 0.975 296 Q CA 1.300 57.082 55.803 -0.034 0.000 0.836 296 Q CB -0.042 28.677 28.738 -0.032 0.000 0.896 296 Q HN 0.523 nan 8.270 nan 0.000 0.428 297 E N 0.015 120.184 120.200 -0.053 0.000 2.106 297 E HA -0.146 5.222 4.350 1.696 0.000 0.192 297 E C 2.099 178.676 176.600 -0.037 0.000 0.984 297 E CA 0.715 57.118 56.400 0.005 0.000 0.806 297 E CB -0.316 29.484 29.700 0.166 0.000 0.750 297 E HN 0.366 nan 8.360 nan 0.000 0.458 298 C N 0.451 119.676 119.300 -0.124 0.000 2.429 298 C HA -0.102 5.376 4.460 1.696 0.000 0.277 298 C C 2.481 177.369 174.990 -0.169 0.000 1.262 298 C CA 0.252 59.185 59.018 -0.141 0.000 1.733 298 C CB -1.192 26.423 27.740 -0.209 0.000 2.010 298 C HN 0.321 nan 8.230 nan 0.000 0.483 299 F N 1.888 121.700 119.950 -0.229 0.000 2.234 299 F HA -0.067 5.477 4.527 1.695 0.000 0.299 299 F C 2.226 177.908 175.800 -0.196 0.000 1.087 299 F CA 1.444 59.314 58.000 -0.216 0.000 1.340 299 F CB -0.401 38.507 39.000 -0.155 0.000 1.031 299 F HN 0.186 nan 8.300 nan 0.000 0.500 300 K N -0.504 119.808 120.400 -0.146 0.000 2.097 300 K HA -0.090 5.248 4.320 1.696 0.000 0.206 300 K C 2.379 178.834 176.600 -0.240 0.000 1.049 300 K CA 1.183 57.363 56.287 -0.179 0.000 0.933 300 K CB -0.842 31.617 32.500 -0.069 0.000 0.717 300 K HN 0.391 nan 8.250 nan 0.000 0.442 301 G N 1.303 109.962 108.800 -0.235 0.000 2.408 301 G HA2 -0.195 4.783 3.960 1.696 0.000 0.217 301 G HA3 -0.195 4.783 3.960 1.696 0.000 0.217 301 G C 1.499 176.150 174.900 -0.415 0.000 1.150 301 G CA 0.447 45.430 45.100 -0.196 0.000 0.776 301 G HN 0.117 nan 8.290 nan 0.000 0.542 302 I N 0.332 120.440 120.570 -0.770 0.000 2.226 302 I HA -0.133 5.054 4.170 1.696 0.000 0.245 302 I C 2.673 178.501 176.117 -0.481 0.000 1.100 302 I CA 0.772 61.659 61.300 -0.688 0.000 1.374 302 I CB -0.154 37.461 38.000 -0.641 0.000 1.057 302 I HN 0.129 nan 8.210 nan 0.000 0.413 303 L N 0.477 121.339 121.223 -0.602 0.000 2.093 303 L HA -0.206 5.152 4.340 1.696 0.000 0.208 303 L C 2.617 179.335 176.870 -0.253 0.000 1.085 303 L CA 1.261 55.827 54.840 -0.457 0.000 0.755 303 L CB -0.566 41.189 42.059 -0.506 0.000 0.904 303 L HN 0.231 nan 8.230 nan 0.000 0.435 304 K N 0.317 120.592 120.400 -0.209 0.000 2.057 304 K HA -0.220 5.118 4.320 1.696 0.000 0.207 304 K C 1.615 178.162 176.600 -0.089 0.000 1.049 304 K CA 1.884 58.099 56.287 -0.120 0.000 0.931 304 K CB 0.011 32.460 32.500 -0.085 0.000 0.714 304 K HN 0.172 nan 8.250 nan 0.000 0.440 305 D N 0.726 121.080 120.400 -0.077 0.000 2.117 305 D HA -0.122 5.536 4.640 1.696 0.000 0.197 305 D C 1.703 177.962 176.300 -0.067 0.000 0.987 305 D CA 1.185 55.160 54.000 -0.040 0.000 0.829 305 D CB 0.036 40.849 40.800 0.022 0.000 0.961 305 D HN 0.264 nan 8.370 nan 0.000 0.460 306 K N 0.359 120.698 120.400 -0.102 0.000 2.063 306 K HA -0.107 5.231 4.320 1.696 0.000 0.208 306 K C 1.860 178.412 176.600 -0.080 0.000 1.048 306 K CA 0.835 57.064 56.287 -0.097 0.000 0.928 306 K CB 0.098 32.522 32.500 -0.126 0.000 0.713 306 K HN -0.010 nan 8.250 nan 0.000 0.442 307 K N 0.669 121.018 120.400 -0.084 0.000 2.283 307 K HA -0.025 5.312 4.320 1.696 0.000 0.202 307 K C 0.996 177.563 176.600 -0.056 0.000 1.048 307 K CA 0.793 57.040 56.287 -0.067 0.000 0.948 307 K CB -0.067 32.392 32.500 -0.068 0.000 0.742 307 K HN 0.162 nan 8.250 nan 0.000 0.458 308 N N 1.511 120.177 118.700 -0.056 0.000 2.251 308 N HA -0.053 5.705 4.740 1.696 0.000 0.217 308 N C -0.659 174.822 175.510 -0.049 0.000 1.124 308 N CA 0.074 53.094 53.050 -0.049 0.000 0.843 308 N CB 0.259 38.718 38.487 -0.048 0.000 1.024 308 N HN 0.097 nan 8.380 nan 0.000 0.501 309 D N 0.937 121.307 120.400 -0.051 0.000 2.697 309 D HA -0.207 5.451 4.640 1.696 0.000 0.235 309 D C -0.727 175.542 176.300 -0.050 0.000 1.167 309 D CA 0.623 54.594 54.000 -0.049 0.000 0.656 309 D CB -1.121 39.653 40.800 -0.044 0.000 1.025 309 D HN 0.454 nan 8.370 nan 0.000 0.419 310 I N -0.114 120.425 120.570 -0.051 0.000 2.827 310 I HA 0.439 5.627 4.170 1.696 0.000 0.298 310 I C -1.342 174.747 176.117 -0.045 0.000 1.235 310 I CA -0.862 60.408 61.300 -0.051 0.000 1.021 310 I CB 1.915 39.885 38.000 -0.051 0.000 1.259 310 I HN 0.059 nan 8.210 nan 0.000 0.427 311 E N 5.536 125.703 120.200 -0.055 0.000 2.241 311 E HA 0.650 6.018 4.350 1.696 0.000 0.263 311 E C -0.882 175.662 176.600 -0.094 0.000 0.882 311 E CA -0.752 55.621 56.400 -0.045 0.000 0.769 311 E CB 1.883 31.555 29.700 -0.048 0.000 1.185 311 E HN 0.764 nan 8.360 nan 0.000 0.415 312 A N 3.772 126.544 122.820 -0.079 0.000 2.561 312 A HA -0.099 5.239 4.320 1.696 0.000 0.234 312 A C 1.165 178.545 177.584 -0.340 0.000 1.055 312 A CA 0.566 52.498 52.037 -0.176 0.000 0.756 312 A CB 0.530 19.397 19.000 -0.222 0.000 0.986 312 A HN 0.978 nan 8.150 nan 0.000 0.505 313 Q N 1.170 120.776 119.800 -0.323 0.000 2.096 313 Q HA -0.201 5.157 4.340 1.696 0.000 0.208 313 Q C 0.295 175.740 176.000 -0.926 0.000 0.993 313 Q CA 2.262 57.737 55.803 -0.547 0.000 0.862 313 Q CB -0.074 28.420 28.738 -0.407 0.000 0.915 313 Q HN 0.875 nan 8.270 nan 0.000 0.416 314 W N -0.031 121.107 121.300 -0.269 0.000 2.764 314 W HA 0.230 5.915 4.660 1.708 0.000 0.427 314 W C 0.007 176.472 176.519 -0.090 0.000 0.896 314 W CA -0.199 57.053 57.345 -0.154 0.000 2.307 314 W CB 0.114 29.647 29.460 0.122 0.000 1.192 314 W HN 0.395 nan 8.180 nan 0.000 0.731 315 H N -0.547 118.626 119.070 0.172 0.000 1.452 315 H HA -0.395 5.178 4.556 1.694 0.000 0.090 315 H C 1.768 177.246 175.328 0.250 0.000 0.964 315 H CA 1.908 58.050 56.048 0.156 0.000 1.901 315 H CB -1.094 28.723 29.762 0.091 0.000 2.257 315 H HN 0.209 nan 8.280 nan 0.000 0.961 316 D N 0.853 121.466 120.400 0.356 0.000 2.221 316 D HA -0.189 5.469 4.640 1.696 0.000 0.204 316 D C 1.744 178.159 176.300 0.191 0.000 0.982 316 D CA 1.762 55.904 54.000 0.236 0.000 0.857 316 D CB -0.504 40.366 40.800 0.117 0.000 0.934 316 D HN 0.718 nan 8.370 nan 0.000 0.475 317 E N 0.763 121.108 120.200 0.242 0.000 2.106 317 E HA -0.126 5.242 4.350 1.696 0.000 0.192 317 E C 1.912 178.599 176.600 0.144 0.000 0.984 317 E CA 0.879 57.397 56.400 0.196 0.000 0.806 317 E CB 0.176 30.052 29.700 0.295 0.000 0.750 317 E HN 0.117 nan 8.360 nan 0.000 0.458 318 S N -0.061 115.743 115.700 0.174 0.000 2.368 318 S HA -0.148 5.340 4.470 1.696 0.000 0.225 318 S C 1.708 176.252 174.600 -0.092 0.000 1.030 318 S CA 0.901 59.137 58.200 0.060 0.000 0.999 318 S CB -0.366 62.813 63.200 -0.036 0.000 0.844 318 S HN 0.440 nan 8.310 nan 0.000 0.459 319 H N 0.343 119.420 119.070 0.012 0.000 2.389 319 H HA 0.053 5.626 4.556 1.695 0.000 0.299 319 H C 2.209 177.480 175.328 -0.095 0.000 1.081 319 H CA 1.105 57.127 56.048 -0.043 0.000 1.345 319 H CB -0.489 29.240 29.762 -0.055 0.000 1.393 319 H HN 0.228 nan 8.280 nan 0.000 0.520 320 L N 1.420 122.626 121.223 -0.029 0.000 2.083 320 L HA -0.126 5.232 4.340 1.696 0.000 0.209 320 L C 1.875 178.686 176.870 -0.098 0.000 1.083 320 L CA 1.402 56.107 54.840 -0.224 0.000 0.752 320 L CB -0.579 41.322 42.059 -0.263 0.000 0.899 320 L HN 0.121 nan 8.230 nan 0.000 0.433 321 N N -0.242 118.472 118.700 0.023 0.000 2.188 321 N HA -0.210 5.548 4.740 1.696 0.000 0.184 321 N C 1.821 177.334 175.510 0.005 0.000 1.018 321 N CA 1.170 54.291 53.050 0.118 0.000 0.858 321 N CB -0.022 38.480 38.487 0.026 0.000 0.989 321 N HN 0.256 nan 8.380 nan 0.000 0.426 322 K N 0.846 121.194 120.400 -0.086 0.000 2.057 322 K HA -0.139 5.199 4.320 1.696 0.000 0.206 322 K C 1.993 178.552 176.600 -0.069 0.000 1.050 322 K CA 0.987 57.198 56.287 -0.126 0.000 0.935 322 K CB -0.737 31.698 32.500 -0.108 0.000 0.715 322 K HN 0.181 nan 8.250 nan 0.000 0.439 323 Y N -0.122 120.079 120.300 -0.166 0.000 2.114 323 Y HA -0.126 5.440 4.550 1.694 0.000 0.284 323 Y C 1.620 177.438 175.900 -0.136 0.000 1.143 323 Y CA 1.981 59.951 58.100 -0.216 0.000 1.135 323 Y CB -0.386 37.837 38.460 -0.395 0.000 0.980 323 Y HN 0.096 nan 8.280 nan 0.000 0.499 324 F N -1.092 118.897 119.950 0.064 0.000 2.451 324 F HA -0.166 5.382 4.527 1.701 0.000 0.299 324 F C 2.012 177.772 175.800 -0.067 0.000 1.101 324 F CA 0.130 58.108 58.000 -0.037 0.000 1.436 324 F CB -0.021 38.894 39.000 -0.141 0.000 1.074 324 F HN 0.229 nan 8.300 nan 0.000 0.553 325 L N 0.118 121.400 121.223 0.098 0.000 2.095 325 L HA -0.094 5.264 4.340 1.696 0.000 0.204 325 L C 1.836 178.616 176.870 -0.149 0.000 1.080 325 L CA 1.718 56.547 54.840 -0.017 0.000 0.759 325 L CB -0.569 41.432 42.059 -0.096 0.000 0.914 325 L HN 0.063 nan 8.230 nan 0.000 0.439 326 L N -0.524 120.575 121.223 -0.206 0.000 2.131 326 L HA -0.008 5.350 4.340 1.696 0.000 0.206 326 L C 0.315 176.996 176.870 -0.316 0.000 1.087 326 L CA 0.526 55.213 54.840 -0.254 0.000 0.767 326 L CB -0.274 41.622 42.059 -0.272 0.000 0.917 326 L HN 0.292 nan 8.230 nan 0.000 0.441 327 N N 1.112 119.560 118.700 -0.420 0.000 2.851 327 N HA 0.178 5.936 4.740 1.696 0.000 0.248 327 N C -0.875 174.528 175.510 -0.178 0.000 1.221 327 N CA -0.161 52.663 53.050 -0.377 0.000 0.847 327 N CB 1.005 39.077 38.487 -0.692 0.000 1.150 327 N HN 0.159 nan 8.380 nan 0.000 0.507 328 K N 2.033 122.247 120.400 -0.311 0.000 2.484 328 K HA 0.076 5.413 4.320 1.696 0.000 0.280 328 K C -1.992 174.507 176.600 -0.169 0.000 1.013 328 K CA -0.761 55.248 56.287 -0.463 0.000 1.029 328 K CB 0.215 31.898 32.500 -1.360 0.000 0.902 328 K HN 0.283 nan 8.250 nan 0.000 0.481 329 P HA -0.050 nan 4.420 nan 0.000 0.271 329 P C 0.451 177.873 177.300 0.204 0.000 1.218 329 P CA -0.022 63.024 63.100 -0.090 0.000 0.780 329 P CB 0.804 32.163 31.700 -0.568 0.000 0.901 330 T N -0.952 113.685 114.554 0.139 0.000 3.113 330 T HA 0.075 5.442 4.350 1.696 0.000 0.256 330 T C 0.538 175.300 174.700 0.103 0.000 1.131 330 T CA 0.458 62.664 62.100 0.176 0.000 1.074 330 T CB 0.019 68.971 68.868 0.139 0.000 0.944 330 T HN 0.514 nan 8.240 nan 0.000 0.516 331 K N 0.180 120.602 120.400 0.035 0.000 2.557 331 K HA 0.595 5.933 4.320 1.696 0.000 0.257 331 K C -2.063 174.482 176.600 -0.091 0.000 0.933 331 K CA -0.911 55.355 56.287 -0.035 0.000 0.820 331 K CB 1.810 34.290 32.500 -0.034 0.000 1.330 331 K HN 0.179 nan 8.250 nan 0.000 0.432 332 I N 4.705 125.199 120.570 -0.126 0.000 2.569 332 I HA 0.392 5.580 4.170 1.696 0.000 0.296 332 I C -0.646 175.352 176.117 -0.198 0.000 1.028 332 I CA -1.145 60.065 61.300 -0.149 0.000 1.082 332 I CB 1.857 39.752 38.000 -0.175 0.000 1.264 332 I HN 0.411 nan 8.210 nan 0.000 0.429 333 L N 4.021 125.123 121.223 -0.202 0.000 2.317 333 L HA 0.447 5.804 4.340 1.696 0.000 0.281 333 L C 0.569 177.265 176.870 -0.289 0.000 1.024 333 L CA -0.599 54.043 54.840 -0.330 0.000 0.810 333 L CB 1.769 43.568 42.059 -0.432 0.000 1.240 333 L HN 0.699 nan 8.230 nan 0.000 0.427 334 S N 2.438 117.867 115.700 -0.452 0.000 2.589 334 S HA 0.225 5.712 4.470 1.696 0.000 0.265 334 S C -1.576 172.758 174.600 -0.444 0.000 1.342 334 S CA -0.949 56.714 58.200 -0.895 0.000 1.005 334 S CB 0.627 62.673 63.200 -1.923 0.000 0.909 334 S HN 0.564 nan 8.310 nan 0.000 0.555 335 P HA -0.080 nan 4.420 nan 0.000 0.228 335 P C 0.705 177.983 177.300 -0.036 0.000 1.151 335 P CA 0.992 64.023 63.100 -0.114 0.000 0.770 335 P CB -0.113 31.511 31.700 -0.126 0.000 0.786 336 E N -0.950 119.080 120.200 -0.283 0.000 2.204 336 E HA -0.167 5.201 4.350 1.696 0.000 0.195 336 E C 1.172 177.605 176.600 -0.278 0.000 0.990 336 E CA 0.924 57.140 56.400 -0.307 0.000 0.821 336 E CB -0.524 28.960 29.700 -0.360 0.000 0.750 336 E HN 0.415 nan 8.360 nan 0.000 0.477 337 Y N -1.166 119.053 120.300 -0.134 0.000 2.529 337 Y HA 0.096 4.501 4.550 -0.242 0.000 0.290 337 Y C 0.590 176.564 175.900 0.123 0.000 1.177 337 Y CA -0.018 58.034 58.100 -0.080 0.000 1.305 337 Y CB 0.737 39.044 38.460 -0.255 0.000 1.047 337 Y HN -0.004 nan 8.280 nan 0.000 0.522 338 C N 1.143 120.605 119.300 0.270 0.000 2.993 338 C HA 0.121 5.599 4.460 1.696 0.000 0.298 338 C C -0.807 174.466 174.990 0.472 0.000 0.906 338 C CA -1.190 58.062 59.018 0.390 0.000 1.090 338 C CB -1.244 26.759 27.740 0.438 0.000 1.656 338 C HN 0.532 nan 8.230 nan 0.000 0.648 339 W N 3.281 124.572 121.300 -0.015 0.000 2.438 339 W HA 0.464 6.112 4.660 1.647 0.000 0.324 339 W C -0.702 175.396 176.519 -0.702 0.000 1.119 339 W CA 0.178 57.305 57.345 -0.364 0.000 1.221 339 W CB 1.218 30.372 29.460 -0.510 0.000 1.253 339 W HN 0.598 nan 8.180 nan 0.000 0.555 340 D N 4.171 123.291 120.400 -2.134 0.000 2.412 340 D HA 0.095 5.753 4.640 1.696 0.000 0.224 340 D C 0.346 175.787 176.300 -1.432 0.000 1.093 340 D CA -0.304 52.565 54.000 -1.886 0.000 0.850 340 D CB 0.259 39.710 40.800 -2.248 0.000 1.046 340 D HN 0.345 nan 8.370 nan 0.000 0.507 341 Y N 1.666 121.637 120.300 -0.548 0.000 2.651 341 Y HA -0.160 5.423 4.550 1.721 0.000 0.296 341 Y C 1.912 177.717 175.900 -0.158 0.000 1.150 341 Y CA 0.521 58.517 58.100 -0.174 0.000 1.348 341 Y CB -0.006 38.466 38.460 0.021 0.000 0.983 341 Y HN 0.608 nan 8.280 nan 0.000 0.555 342 H N 0.129 119.092 119.070 -0.178 0.000 2.491 342 H HA -0.095 5.477 4.556 1.693 0.000 0.290 342 H C 1.732 176.963 175.328 -0.162 0.000 1.050 342 H CA 1.453 57.456 56.048 -0.075 0.000 1.309 342 H CB -0.226 29.559 29.762 0.038 0.000 1.392 342 H HN 0.344 nan 8.280 nan 0.000 0.554 343 I N -0.504 119.746 120.570 -0.534 0.000 2.928 343 I HA 0.080 5.267 4.170 1.696 0.000 0.266 343 I C 1.513 177.502 176.117 -0.215 0.000 1.234 343 I CA 0.538 61.455 61.300 -0.637 0.000 1.483 343 I CB -0.280 37.102 38.000 -1.030 0.000 1.097 343 I HN 0.544 nan 8.210 nan 0.000 0.455 344 G N 1.349 110.132 108.800 -0.028 0.000 2.451 344 G HA2 -0.164 4.814 3.960 1.696 0.000 0.208 344 G HA3 -0.164 4.814 3.960 1.696 0.000 0.208 344 G C -1.116 173.987 174.900 0.340 0.000 1.248 344 G CA -0.552 44.617 45.100 0.114 0.000 0.989 344 G HN 0.042 nan 8.290 nan 0.000 0.559 345 L N 1.939 123.281 121.223 0.199 0.000 2.492 345 L HA 0.644 6.001 4.340 1.696 0.000 0.258 345 L C -1.961 174.896 176.870 -0.022 0.000 1.028 345 L CA -1.126 53.775 54.840 0.101 0.000 0.900 345 L CB 1.023 43.145 42.059 0.104 0.000 1.191 345 L HN 0.571 nan 8.230 nan 0.000 0.459 346 P HA 0.378 nan 4.420 nan 0.000 0.275 346 P C 0.603 177.843 177.300 -0.099 0.000 1.266 346 P CA -0.188 62.882 63.100 -0.050 0.000 0.793 346 P CB 0.858 32.564 31.700 0.009 0.000 1.074 347 A N 0.331 123.115 122.820 -0.061 0.000 1.972 347 A HA -0.184 5.153 4.320 1.696 0.000 0.219 347 A C 1.625 179.158 177.584 -0.086 0.000 1.169 347 A CA 1.797 53.793 52.037 -0.069 0.000 0.635 347 A CB -1.076 17.893 19.000 -0.052 0.000 0.810 347 A HN 0.525 nan 8.150 nan 0.000 0.446 348 D N -0.151 120.208 120.400 -0.067 0.000 2.219 348 D HA -0.040 5.618 4.640 1.696 0.000 0.205 348 D C 0.430 176.706 176.300 -0.040 0.000 0.970 348 D CA 0.615 54.582 54.000 -0.056 0.000 0.851 348 D CB -0.112 40.737 40.800 0.082 0.000 0.943 348 D HN 0.287 nan 8.370 nan 0.000 0.488 349 I N 2.134 122.569 120.570 -0.225 0.000 2.256 349 I HA 0.045 5.232 4.170 1.696 0.000 0.294 349 I C 1.325 177.290 176.117 -0.253 0.000 1.127 349 I CA -0.192 60.876 61.300 -0.387 0.000 1.247 349 I CB 0.675 38.086 38.000 -0.981 0.000 1.460 349 I HN -0.232 nan 8.210 nan 0.000 0.511 350 K N 3.627 123.951 120.400 -0.125 0.000 2.044 350 K HA 0.086 5.424 4.320 1.696 0.000 0.204 350 K C 0.399 176.943 176.600 -0.094 0.000 1.049 350 K CA 0.883 57.116 56.287 -0.089 0.000 0.945 350 K CB 0.230 32.707 32.500 -0.039 0.000 0.724 350 K HN 0.350 nan 8.250 nan 0.000 0.440 351 L N 0.734 121.890 121.223 -0.111 0.000 2.541 351 L HA 0.261 5.619 4.340 1.696 0.000 0.266 351 L C -1.335 175.434 176.870 -0.170 0.000 0.966 351 L CA -0.560 54.218 54.840 -0.103 0.000 0.871 351 L CB 1.962 43.985 42.059 -0.060 0.000 1.232 351 L HN -0.261 nan 8.230 nan 0.000 0.408 352 V N 5.953 125.782 119.914 -0.141 0.000 2.508 352 V HA 0.218 5.356 4.120 1.696 0.000 0.281 352 V C 0.799 176.814 176.094 -0.132 0.000 1.041 352 V CA -0.107 62.101 62.300 -0.154 0.000 1.016 352 V CB 0.989 32.774 31.823 -0.063 0.000 0.984 352 V HN 0.777 nan 8.190 nan 0.000 0.478 353 K N 3.333 123.613 120.400 -0.201 0.000 2.348 353 K HA 0.377 5.715 4.320 1.696 0.000 0.194 353 K C 0.084 176.714 176.600 0.049 0.000 1.052 353 K CA 0.310 56.526 56.287 -0.118 0.000 1.004 353 K CB 0.376 32.687 32.500 -0.315 0.000 0.873 353 K HN 0.631 nan 8.250 nan 0.000 0.523 354 M N 0.111 119.726 119.600 0.026 0.000 2.365 354 M HA 0.305 5.803 4.480 1.696 0.000 0.287 354 M C -1.800 174.549 176.300 0.081 0.000 1.154 354 M CA -0.395 54.911 55.300 0.010 0.000 0.941 354 M CB 2.242 34.821 32.600 -0.035 0.000 1.704 354 M HN 0.022 nan 8.290 nan 0.000 0.479 355 S N 2.267 118.035 115.700 0.113 0.000 2.542 355 S HA 0.809 6.297 4.470 1.696 0.000 0.293 355 S C -1.531 173.246 174.600 0.295 0.000 1.089 355 S CA -0.746 57.549 58.200 0.159 0.000 0.961 355 S CB 0.862 64.180 63.200 0.196 0.000 1.062 355 S HN 0.685 nan 8.310 nan 0.000 0.483 356 W N 1.752 123.046 121.300 -0.011 0.000 2.170 356 W HA 0.375 6.027 4.660 1.652 0.000 0.336 356 W C 0.819 177.355 176.519 0.028 0.000 1.283 356 W CA -0.722 56.628 57.345 0.008 0.000 1.224 356 W CB 0.126 29.592 29.460 0.011 0.000 1.132 356 W HN 0.567 nan 8.180 nan 0.000 0.571 357 Q N 1.337 121.258 119.800 0.201 0.000 2.259 357 Q HA 0.209 5.567 4.340 1.696 0.000 0.249 357 Q C 0.088 176.169 176.000 0.133 0.000 0.914 357 Q CA -0.175 55.707 55.803 0.132 0.000 0.904 357 Q CB 1.095 29.818 28.738 -0.026 0.000 1.213 357 Q HN 0.334 nan 8.270 nan 0.000 0.428 358 T N 3.374 118.010 114.554 0.137 0.000 2.928 358 T HA 0.048 5.416 4.350 1.696 0.000 0.305 358 T C 0.324 175.025 174.700 0.003 0.000 1.035 358 T CA -0.255 61.891 62.100 0.077 0.000 1.145 358 T CB 0.352 69.258 68.868 0.063 0.000 0.963 358 T HN 0.084 nan 8.240 nan 0.000 0.545 359 K N 3.378 123.705 120.400 -0.123 0.000 2.401 359 K HA 0.145 5.483 4.320 1.696 0.000 0.278 359 K C 0.512 176.921 176.600 -0.318 0.000 1.018 359 K CA 0.165 56.233 56.287 -0.367 0.000 0.981 359 K CB 0.512 32.567 32.500 -0.743 0.000 0.933 359 K HN 0.683 nan 8.250 nan 0.000 0.477 360 E N 2.355 122.388 120.200 -0.278 0.000 4.017 360 E HA 0.082 5.450 4.350 1.696 0.000 0.205 360 E C 0.257 176.807 176.600 -0.082 0.000 1.054 360 E CA -0.068 56.248 56.400 -0.139 0.000 1.398 360 E CB 0.166 29.844 29.700 -0.037 0.000 1.164 360 E HN 0.530 nan 8.360 nan 0.000 0.445 361 Y N 0.355 120.590 120.300 -0.108 0.000 2.193 361 Y HA -0.318 5.248 4.550 1.694 0.000 0.285 361 Y C 2.453 178.285 175.900 -0.113 0.000 1.166 361 Y CA 0.982 58.992 58.100 -0.149 0.000 1.181 361 Y CB -0.139 38.222 38.460 -0.165 0.000 0.976 361 Y HN 0.279 nan 8.280 nan 0.000 0.520 362 N N 0.214 118.963 118.700 0.082 0.000 2.272 362 N HA -0.149 5.609 4.740 1.696 0.000 0.185 362 N C 1.225 176.744 175.510 0.014 0.000 1.014 362 N CA 1.335 54.411 53.050 0.043 0.000 0.870 362 N CB -0.131 38.374 38.487 0.030 0.000 0.975 362 N HN 0.115 nan 8.380 nan 0.000 0.433 363 V N -0.850 119.050 119.914 -0.022 0.000 2.908 363 V HA 0.010 5.148 4.120 1.696 0.000 0.240 363 V C 2.003 178.018 176.094 -0.130 0.000 1.117 363 V CA 0.957 63.222 62.300 -0.058 0.000 1.133 363 V CB 0.247 32.038 31.823 -0.053 0.000 0.857 363 V HN 0.335 nan 8.190 nan 0.000 0.478 364 V N -1.400 118.384 119.914 -0.217 0.000 3.129 364 V HA 0.198 5.336 4.120 1.696 0.000 0.259 364 V C 1.033 177.165 176.094 0.064 0.000 1.116 364 V CA 0.586 62.745 62.300 -0.236 0.000 1.127 364 V CB -0.619 30.858 31.823 -0.576 0.000 0.742 364 V HN 0.377 nan 8.190 nan 0.000 0.474 365 R N 0.514 121.039 120.500 0.042 0.000 2.732 365 R HA 0.513 5.871 4.340 1.696 0.000 0.278 365 R C -0.219 176.119 176.300 0.064 0.000 0.976 365 R CA -0.035 56.092 56.100 0.044 0.000 0.963 365 R CB 1.227 31.398 30.300 -0.216 0.000 1.150 365 R HN 0.309 nan 8.270 nan 0.000 0.478 366 N N 0.730 119.501 118.700 0.119 0.000 2.200 366 N HA 0.035 5.793 4.740 1.696 0.000 0.224 366 N C -0.921 174.667 175.510 0.131 0.000 1.179 366 N CA -0.174 52.940 53.050 0.107 0.000 0.877 366 N CB 0.402 38.945 38.487 0.093 0.000 1.072 366 N HN 0.547 nan 8.380 nan 0.000 0.519 367 N N -0.519 118.307 118.700 0.210 0.000 2.484 367 N HA 0.125 5.882 4.740 1.696 0.000 0.269 367 N C -0.279 175.416 175.510 0.309 0.000 1.237 367 N CA -0.625 52.549 53.050 0.206 0.000 0.838 367 N CB 1.567 40.144 38.487 0.150 0.000 1.593 367 N HN -0.206 nan 8.380 nan 0.000 0.485 368 V N 0.000 120.037 119.914 0.205 0.000 2.409 368 V HA 0.000 5.138 4.120 1.696 0.000 0.244 368 V CA 0.000 62.437 62.300 0.228 0.000 1.235 368 V CB 0.000 31.893 31.823 0.117 0.000 1.184 368 V HN 0.000 nan 8.190 nan 0.000 0.556