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 3p5r_1_B DATA FIRST_RESID 111 DATA SEQUENCE TYQERADELV VKIKDMFNAL GDGDISPSAY DTAWVARLAT ISSDGSEKPR DATA SEQUENCE FPQALNWVFN NQLQDGSWGI ESHFSLCDRL LNTTNSVIAL SVWKTGHSQV DATA SEQUENCE QQGAEFIAEN LRLLNEEDEL SPDFQIIFPA LLQKAKALGI NLPYDLPFIK DATA SEQUENCE YLSTTREARL TDVSAAADNI PANMLNALEG LEEVIDWNKI MRFQSKDGSF DATA SEQUENCE LSSPASTACV LMNTGDEKCF TFLNNLLDKF GGCVPCMYSI DLLERLSLVD DATA SEQUENCE NIEHLGIGRH FKQEIKGALD YVYRHWSERG IGWGRDSLVP DLNTTALGLR DATA SEQUENCE TLRMHGYNVS SDVLNNFKDE NGRFFSSAGQ THVELRSVVN LFRASDLAFP DATA SEQUENCE DERAMDDARK FAEPYLREAL ATKISTNTKL FKEIEYVVEY PWHMSIPRLE DATA SEQUENCE ARSYIDSYDD NYVWQRKTLY RMPSLSNSKC LELAKLDFNI VQSLHQEELK DATA SEQUENCE LLTRWWKESG MADINXXXXR VAEVYFSSAT FEPEYSATRI AFTKIGCLQV DATA SEQUENCE LFDDMADIFA TLDELKSFTE GVKRWDTSLL HEIPECMQTC FKVWFKLMEE DATA SEQUENCE VNNDVVKVQG RDMLAHIRKP WELYFNCYVQ EREWLEAGYI PTFEEYLKTY DATA SEQUENCE AISVGLGPCT LQPILLMGEL VKDDVVEKVH YPSNMFELVS LSWRLTNDTK DATA SEQUENCE TYQAEKARGQ QASGIACYMK DNPGATEEDA IKHICRVVDR ALKEASFEYF DATA SEQUENCE KPSNDIPMGC KSFIFNLRLC VQIFYKXXXX XXXXXXEIKD YIRKVYIDPI DATA SEQUENCE QV 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 111 T HA 0.000 nan 4.350 nan 0.000 0.228 111 T C 0.000 174.750 174.700 0.084 0.000 1.109 111 T CA 0.000 62.147 62.100 0.078 0.000 1.349 111 T CB 0.000 68.932 68.868 0.107 0.000 0.612 112 Y N 1.263 121.576 120.300 0.021 0.000 2.002 112 Y HA -0.209 4.339 4.550 -0.003 0.000 0.268 112 Y C 2.760 178.670 175.900 0.017 0.000 1.177 112 Y CA 2.610 60.725 58.100 0.025 0.000 1.111 112 Y CB -0.415 38.064 38.460 0.032 0.000 0.952 112 Y HN 0.618 nan 8.280 nan 0.000 0.491 113 Q N 0.396 120.310 119.800 0.191 0.000 2.234 113 Q HA -0.195 4.144 4.340 -0.003 0.000 0.206 113 Q C 1.768 177.797 176.000 0.047 0.000 0.980 113 Q CA 1.940 57.799 55.803 0.093 0.000 0.869 113 Q CB -0.203 28.573 28.738 0.063 0.000 0.912 113 Q HN 0.599 nan 8.270 nan 0.000 0.436 114 E N -0.977 119.251 120.200 0.047 0.000 2.076 114 E HA -0.085 4.264 4.350 -0.003 0.000 0.190 114 E C 2.047 178.653 176.600 0.010 0.000 0.979 114 E CA 0.641 57.054 56.400 0.021 0.000 0.807 114 E CB 0.014 29.727 29.700 0.021 0.000 0.761 114 E HN 0.288 nan 8.360 nan 0.000 0.454 115 R N 0.773 121.275 120.500 0.004 0.000 2.092 115 R HA -0.050 4.289 4.340 -0.003 0.000 0.231 115 R C 2.291 178.593 176.300 0.004 0.000 1.119 115 R CA 1.183 57.276 56.100 -0.011 0.000 0.970 115 R CB -0.235 30.032 30.300 -0.055 0.000 0.864 115 R HN 0.078 nan 8.270 nan 0.000 0.440 116 A N 1.223 124.052 122.820 0.014 0.000 1.929 116 A HA -0.139 4.180 4.320 -0.003 0.000 0.216 116 A C 1.427 178.990 177.584 -0.034 0.000 1.176 116 A CA 1.485 53.527 52.037 0.007 0.000 0.628 116 A CB -0.215 18.796 19.000 0.020 0.000 0.816 116 A HN 0.109 nan 8.150 nan 0.000 0.444 117 D N 0.136 120.513 120.400 -0.038 0.000 2.144 117 D HA -0.150 4.488 4.640 -0.003 0.000 0.200 117 D C 2.096 178.385 176.300 -0.018 0.000 0.978 117 D CA 1.553 55.521 54.000 -0.054 0.000 0.833 117 D CB -0.316 40.461 40.800 -0.038 0.000 0.961 117 D HN 0.836 nan 8.370 nan 0.000 0.470 118 E N 0.245 120.448 120.200 0.004 0.000 2.152 118 E HA -0.118 4.230 4.350 -0.003 0.000 0.192 118 E C 1.829 178.456 176.600 0.046 0.000 0.983 118 E CA 0.378 56.791 56.400 0.023 0.000 0.818 118 E CB -0.275 29.437 29.700 0.020 0.000 0.758 118 E HN 0.107 nan 8.360 nan 0.000 0.467 119 L N 1.442 122.694 121.223 0.049 0.000 2.046 119 L HA -0.132 4.207 4.340 -0.003 0.000 0.208 119 L C 2.494 179.454 176.870 0.150 0.000 1.077 119 L CA 1.013 55.906 54.840 0.088 0.000 0.747 119 L CB -0.761 41.350 42.059 0.086 0.000 0.896 119 L HN 0.070 nan 8.230 nan 0.000 0.432 120 V N -1.263 118.716 119.914 0.109 0.000 2.295 120 V HA -0.273 3.845 4.120 -0.003 0.000 0.246 120 V C 2.493 178.715 176.094 0.214 0.000 1.049 120 V CA 1.427 63.821 62.300 0.156 0.000 1.024 120 V CB -0.318 31.430 31.823 -0.125 0.000 0.648 120 V HN 0.225 nan 8.190 nan 0.000 0.447 121 V N -0.262 119.719 119.914 0.113 0.000 2.332 121 V HA -0.285 3.834 4.120 -0.003 0.000 0.248 121 V C 2.382 178.560 176.094 0.139 0.000 1.055 121 V CA 2.077 64.443 62.300 0.110 0.000 1.038 121 V CB -0.670 31.191 31.823 0.063 0.000 0.651 121 V HN 0.543 nan 8.190 nan 0.000 0.450 122 K N -0.633 119.842 120.400 0.127 0.000 2.288 122 K HA 0.066 4.384 4.320 -0.003 0.000 0.201 122 K C 1.929 178.605 176.600 0.127 0.000 1.048 122 K CA 1.026 57.377 56.287 0.108 0.000 0.956 122 K CB -0.080 32.468 32.500 0.079 0.000 0.746 122 K HN 0.437 nan 8.250 nan 0.000 0.461 123 I N 0.819 121.505 120.570 0.194 0.000 2.584 123 I HA -0.173 3.995 4.170 -0.003 0.000 0.255 123 I C 1.993 178.277 176.117 0.279 0.000 1.145 123 I CA 0.823 62.221 61.300 0.164 0.000 1.462 123 I CB 0.005 38.081 38.000 0.125 0.000 1.102 123 I HN 0.047 nan 8.210 nan 0.000 0.433 124 K N 0.808 121.452 120.400 0.408 0.000 2.057 124 K HA -0.191 4.127 4.320 -0.003 0.000 0.207 124 K C 1.589 178.354 176.600 0.274 0.000 1.049 124 K CA 1.578 58.106 56.287 0.403 0.000 0.931 124 K CB -0.176 32.509 32.500 0.309 0.000 0.714 124 K HN 0.216 nan 8.250 nan 0.000 0.440 125 D N 0.746 121.255 120.400 0.182 0.000 2.149 125 D HA -0.201 4.437 4.640 -0.003 0.000 0.198 125 D C 1.729 178.085 176.300 0.094 0.000 0.990 125 D CA 1.116 55.187 54.000 0.118 0.000 0.839 125 D CB -0.078 40.771 40.800 0.083 0.000 0.948 125 D HN 0.185 nan 8.370 nan 0.000 0.460 126 M N -0.843 118.801 119.600 0.074 0.000 2.132 126 M HA -0.155 4.324 4.480 -0.003 0.000 0.263 126 M C 1.721 177.982 176.300 -0.065 0.000 1.065 126 M CA 1.193 56.475 55.300 -0.030 0.000 1.122 126 M CB -0.060 32.474 32.600 -0.110 0.000 1.365 126 M HN -0.109 nan 8.290 nan 0.000 0.411 127 F N 1.107 121.039 119.950 -0.030 0.000 2.095 127 F HA -0.259 4.267 4.527 -0.003 0.000 0.298 127 F C 2.196 177.985 175.800 -0.018 0.000 1.104 127 F CA 1.641 59.621 58.000 -0.033 0.000 1.232 127 F CB -0.834 38.160 39.000 -0.011 0.000 0.987 127 F HN 0.272 nan 8.300 nan 0.000 0.475 128 N N -0.055 118.768 118.700 0.205 0.000 2.364 128 N HA -0.104 4.634 4.740 -0.003 0.000 0.183 128 N C 1.673 177.220 175.510 0.061 0.000 1.022 128 N CA 1.154 54.275 53.050 0.118 0.000 0.883 128 N CB -0.454 38.096 38.487 0.104 0.000 0.965 128 N HN 0.275 nan 8.380 nan 0.000 0.438 129 A N 0.312 123.154 122.820 0.036 0.000 2.238 129 A HA 0.193 4.511 4.320 -0.003 0.000 0.210 129 A C 0.839 178.406 177.584 -0.029 0.000 1.179 129 A CA -0.283 51.755 52.037 0.002 0.000 0.827 129 A CB -0.100 18.898 19.000 -0.005 0.000 0.856 129 A HN 0.138 nan 8.150 nan 0.000 0.488 130 L N -0.086 121.108 121.223 -0.048 0.000 2.559 130 L HA 0.230 4.568 4.340 -0.003 0.000 0.282 130 L C 1.223 178.029 176.870 -0.108 0.000 1.232 130 L CA 0.488 55.266 54.840 -0.104 0.000 0.885 130 L CB 0.361 42.337 42.059 -0.139 0.000 1.131 130 L HN 0.407 nan 8.230 nan 0.000 0.498 131 G N 1.212 109.942 108.800 -0.118 0.000 3.508 131 G HA2 0.054 4.012 3.960 -0.003 0.000 0.172 131 G HA3 0.054 4.012 3.960 -0.003 0.000 0.172 131 G C 0.036 174.868 174.900 -0.113 0.000 1.231 131 G CA -0.097 44.947 45.100 -0.092 0.000 1.218 131 G HN 0.459 nan 8.290 nan 0.000 0.709 132 D N 0.839 121.209 120.400 -0.051 0.000 2.347 132 D HA 0.384 5.022 4.640 -0.003 0.000 0.213 132 D C 1.071 177.183 176.300 -0.312 0.000 0.985 132 D CA 1.584 55.486 54.000 -0.164 0.000 0.879 132 D CB 0.591 41.361 40.800 -0.049 0.000 0.919 132 D HN 0.937 nan 8.370 nan 0.000 0.526 133 G N 0.488 109.239 108.800 -0.083 0.000 2.528 133 G HA2 -0.023 3.936 3.960 -0.003 0.000 0.681 133 G HA3 -0.023 3.936 3.960 -0.003 0.000 0.681 133 G C -1.636 173.351 174.900 0.144 0.000 1.340 133 G CA -0.956 44.123 45.100 -0.035 0.000 0.855 133 G HN -0.017 nan 8.290 nan 0.000 0.649 134 D N 0.220 120.658 120.400 0.063 0.000 2.274 134 D HA 0.735 5.374 4.640 -0.003 0.000 0.239 134 D C 0.045 176.420 176.300 0.125 0.000 1.104 134 D CA -0.096 53.950 54.000 0.076 0.000 0.840 134 D CB 1.131 41.939 40.800 0.012 0.000 1.100 134 D HN 0.757 nan 8.370 nan 0.000 0.477 135 I N 1.850 122.550 120.570 0.217 0.000 2.787 135 I HA 0.257 4.426 4.170 -0.003 0.000 0.294 135 I C -0.592 175.690 176.117 0.275 0.000 1.365 135 I CA -0.522 60.914 61.300 0.227 0.000 1.029 135 I CB 1.758 39.886 38.000 0.214 0.000 1.313 135 I HN 0.457 nan 8.210 nan 0.000 0.431 136 S N 5.894 121.721 115.700 0.212 0.000 2.584 136 S HA 0.460 4.928 4.470 -0.003 0.000 0.270 136 S C -2.592 172.084 174.600 0.125 0.000 1.346 136 S CA -0.790 57.527 58.200 0.194 0.000 1.018 136 S CB 0.371 63.677 63.200 0.178 0.000 0.899 136 S HN 0.399 nan 8.310 nan 0.000 0.542 137 P HA 0.225 nan 4.420 nan 0.000 0.269 137 P C -0.739 176.495 177.300 -0.110 0.000 1.209 137 P CA -0.189 62.855 63.100 -0.093 0.000 0.776 137 P CB 0.603 32.296 31.700 -0.011 0.000 0.876 138 S N 1.410 116.944 115.700 -0.276 0.000 2.474 138 S HA 0.531 4.999 4.470 -0.003 0.000 0.321 138 S C 1.047 175.527 174.600 -0.199 0.000 1.080 138 S CA -0.297 57.824 58.200 -0.131 0.000 1.106 138 S CB 0.374 63.515 63.200 -0.099 0.000 0.984 138 S HN 0.388 nan 8.310 nan 0.000 0.464 139 A N 4.776 127.620 122.820 0.041 0.000 1.897 139 A HA 0.015 4.334 4.320 -0.003 0.000 0.215 139 A C 1.687 179.320 177.584 0.083 0.000 1.181 139 A CA 1.327 53.456 52.037 0.153 0.000 0.620 139 A CB -1.136 18.160 19.000 0.494 0.000 0.821 139 A HN 1.022 nan 8.150 nan 0.000 0.443 140 Y N 1.250 121.573 120.300 0.039 0.000 2.128 140 Y HA -0.288 4.261 4.550 -0.003 0.000 0.284 140 Y C 1.818 177.764 175.900 0.076 0.000 1.154 140 Y CA 2.430 60.567 58.100 0.062 0.000 1.149 140 Y CB -0.337 38.187 38.460 0.107 0.000 0.976 140 Y HN 0.431 nan 8.280 nan 0.000 0.505 141 D N -1.023 119.389 120.400 0.021 0.000 2.123 141 D HA -0.133 4.505 4.640 -0.003 0.000 0.200 141 D C 2.069 178.286 176.300 -0.138 0.000 0.976 141 D CA 1.932 55.883 54.000 -0.083 0.000 0.831 141 D CB -0.291 40.477 40.800 -0.053 0.000 0.974 141 D HN 0.293 nan 8.370 nan 0.000 0.469 142 T N 0.014 114.432 114.554 -0.226 0.000 2.833 142 T HA -0.131 4.218 4.350 -0.003 0.000 0.269 142 T C 1.967 176.602 174.700 -0.109 0.000 1.054 142 T CA 1.195 63.136 62.100 -0.266 0.000 1.135 142 T CB -0.253 68.278 68.868 -0.561 0.000 0.869 142 T HN 0.195 nan 8.240 nan 0.000 0.466 143 A N -0.072 122.679 122.820 -0.116 0.000 1.897 143 A HA -0.014 4.304 4.320 -0.003 0.000 0.215 143 A C 2.048 179.552 177.584 -0.134 0.000 1.181 143 A CA 0.864 52.818 52.037 -0.139 0.000 0.620 143 A CB -0.998 17.857 19.000 -0.241 0.000 0.821 143 A HN 0.655 nan 8.150 nan 0.000 0.443 144 W N -0.038 121.111 121.300 -0.253 0.000 2.358 144 W HA -0.158 4.500 4.660 -0.003 0.000 0.303 144 W C 2.203 178.679 176.519 -0.072 0.000 1.208 144 W CA 1.636 58.859 57.345 -0.204 0.000 1.274 144 W CB -0.008 29.275 29.460 -0.295 0.000 1.138 144 W HN 0.147 nan 8.180 nan 0.000 0.515 145 V N 0.122 120.163 119.914 0.213 0.000 2.515 145 V HA -0.254 3.864 4.120 -0.003 0.000 0.250 145 V C 2.157 178.427 176.094 0.293 0.000 1.058 145 V CA 1.773 64.195 62.300 0.204 0.000 1.064 145 V CB -1.288 30.526 31.823 -0.014 0.000 0.675 145 V HN 0.260 nan 8.190 nan 0.000 0.461 146 A N -0.242 122.702 122.820 0.207 0.000 2.066 146 A HA -0.119 4.199 4.320 -0.003 0.000 0.218 146 A C 2.307 180.126 177.584 0.392 0.000 1.157 146 A CA 0.984 53.187 52.037 0.277 0.000 0.670 146 A CB -0.411 18.716 19.000 0.212 0.000 0.804 146 A HN 0.488 nan 8.150 nan 0.000 0.453 147 R N -0.526 120.102 120.500 0.214 0.000 2.189 147 R HA 0.088 4.427 4.340 -0.003 0.000 0.223 147 R C -0.078 176.363 176.300 0.235 0.000 1.092 147 R CA 0.109 56.262 56.100 0.088 0.000 0.989 147 R CB -0.424 29.758 30.300 -0.198 0.000 0.876 147 R HN 0.435 nan 8.270 nan 0.000 0.457 148 L N 1.337 122.761 121.223 0.336 0.000 2.499 148 L HA 0.090 4.429 4.340 -0.003 0.000 0.273 148 L C 0.216 177.302 176.870 0.360 0.000 1.195 148 L CA -0.352 54.665 54.840 0.295 0.000 0.882 148 L CB 0.547 42.779 42.059 0.289 0.000 1.133 148 L HN 0.098 nan 8.230 nan 0.000 0.483 149 A N 2.274 125.270 122.820 0.293 0.000 2.337 149 A HA 0.543 4.862 4.320 -0.003 0.000 0.329 149 A C 0.091 177.746 177.584 0.118 0.000 1.146 149 A CA -0.396 51.860 52.037 0.365 0.000 0.800 149 A CB 1.551 20.809 19.000 0.431 0.000 1.220 149 A HN 0.605 nan 8.150 nan 0.000 0.472 150 T N 3.464 118.042 114.554 0.039 0.000 3.427 150 T HA 0.343 4.691 4.350 -0.003 0.000 0.306 150 T C 0.006 174.690 174.700 -0.026 0.000 1.733 150 T CA -0.317 61.757 62.100 -0.042 0.000 1.599 150 T CB -1.528 67.268 68.868 -0.120 0.000 0.964 150 T HN 0.491 nan 8.240 nan 0.000 0.701 151 I N 2.966 123.544 120.570 0.014 0.000 3.508 151 I HA -0.125 4.043 4.170 -0.003 0.000 0.330 151 I C 1.338 177.445 176.117 -0.015 0.000 1.258 151 I CA 0.210 61.518 61.300 0.014 0.000 1.416 151 I CB -0.379 37.628 38.000 0.012 0.000 1.396 151 I HN 0.432 nan 8.210 nan 0.000 0.485 152 S N 4.508 120.197 115.700 -0.019 0.000 2.612 152 S HA 0.019 4.487 4.470 -0.003 0.000 0.253 152 S C 1.333 175.920 174.600 -0.023 0.000 1.346 152 S CA -0.021 58.161 58.200 -0.031 0.000 0.976 152 S CB 0.656 63.836 63.200 -0.033 0.000 0.949 152 S HN 0.783 nan 8.310 nan 0.000 0.584 153 S N 0.496 116.181 115.700 -0.025 0.000 2.906 153 S HA 0.159 4.627 4.470 -0.003 0.000 0.234 153 S C -0.288 174.304 174.600 -0.015 0.000 0.973 153 S CA -0.071 58.116 58.200 -0.021 0.000 1.036 153 S CB -0.377 62.810 63.200 -0.022 0.000 0.798 153 S HN 0.616 nan 8.310 nan 0.000 0.498 154 D N 0.119 120.512 120.400 -0.011 0.000 2.500 154 D HA 0.275 4.913 4.640 -0.003 0.000 0.217 154 D C 1.498 177.797 176.300 -0.001 0.000 1.159 154 D CA 0.581 54.577 54.000 -0.006 0.000 0.828 154 D CB 0.426 41.223 40.800 -0.005 0.000 1.039 154 D HN 0.503 nan 8.370 nan 0.000 0.512 155 G N 1.223 110.023 108.800 -0.001 0.000 2.234 155 G HA2 -0.302 3.656 3.960 -0.003 0.000 0.260 155 G HA3 -0.302 3.656 3.960 -0.003 0.000 0.260 155 G C 0.671 175.579 174.900 0.013 0.000 0.987 155 G CA 0.664 45.766 45.100 0.003 0.000 0.625 155 G HN 0.515 nan 8.290 nan 0.000 0.532 156 S N -0.112 115.598 115.700 0.016 0.000 2.645 156 S HA 0.732 5.200 4.470 -0.003 0.000 0.266 156 S C 0.039 174.666 174.600 0.045 0.000 1.258 156 S CA -0.089 58.131 58.200 0.033 0.000 0.990 156 S CB 2.122 65.337 63.200 0.026 0.000 0.967 156 S HN 0.535 nan 8.310 nan 0.000 0.556 157 E N 0.224 120.480 120.200 0.093 0.000 2.303 157 E HA 0.708 5.056 4.350 -0.003 0.000 0.254 157 E C -0.939 175.705 176.600 0.074 0.000 0.979 157 E CA -1.090 55.395 56.400 0.142 0.000 0.843 157 E CB 1.498 31.370 29.700 0.286 0.000 1.245 157 E HN 0.791 nan 8.360 nan 0.000 0.413 158 K N -1.461 118.906 120.400 -0.054 0.000 2.703 158 K HA 0.306 4.624 4.320 -0.003 0.000 0.285 158 K C -3.257 172.862 176.600 -0.802 0.000 1.014 158 K CA -1.583 54.375 56.287 -0.549 0.000 0.858 158 K CB 0.707 33.021 32.500 -0.310 0.000 1.467 158 K HN 0.068 nan 8.250 nan 0.000 0.383 159 P HA 0.014 nan 4.420 nan 0.000 0.264 159 P C -0.197 176.922 177.300 -0.301 0.000 1.193 159 P CA -0.131 62.548 63.100 -0.702 0.000 0.763 159 P CB 0.790 32.080 31.700 -0.683 0.000 0.810 160 R N 2.815 123.204 120.500 -0.185 0.000 2.090 160 R HA 0.025 4.364 4.340 -0.003 0.000 0.228 160 R C 0.070 176.073 176.300 -0.496 0.000 1.110 160 R CA 1.170 57.050 56.100 -0.366 0.000 0.973 160 R CB -0.034 29.973 30.300 -0.488 0.000 0.869 160 R HN 0.360 nan 8.270 nan 0.000 0.440 161 F N 0.576 120.558 119.950 0.053 0.000 2.363 161 F HA 0.393 4.919 4.527 -0.003 0.000 0.366 161 F C -1.854 173.941 175.800 -0.009 0.000 1.083 161 F CA -2.974 55.042 58.000 0.027 0.000 1.176 161 F CB 1.666 40.680 39.000 0.024 0.000 1.432 161 F HN -0.078 nan 8.300 nan 0.000 0.482 162 P HA -0.206 nan 4.420 nan 0.000 0.216 162 P C 1.491 178.832 177.300 0.069 0.000 1.150 162 P CA 1.593 64.690 63.100 -0.005 0.000 0.843 162 P CB 0.235 31.910 31.700 -0.041 0.000 0.787 163 Q N -0.783 119.082 119.800 0.108 0.000 2.135 163 Q HA -0.165 4.173 4.340 -0.003 0.000 0.204 163 Q C 2.222 178.327 176.000 0.175 0.000 0.981 163 Q CA 1.668 57.545 55.803 0.123 0.000 0.856 163 Q CB -0.698 28.103 28.738 0.105 0.000 0.902 163 Q HN 0.199 nan 8.270 nan 0.000 0.425 164 A N 0.996 123.915 122.820 0.165 0.000 1.877 164 A HA -0.200 4.118 4.320 -0.003 0.000 0.216 164 A C 2.062 179.790 177.584 0.241 0.000 1.186 164 A CA 1.338 53.471 52.037 0.160 0.000 0.620 164 A CB -0.719 18.352 19.000 0.118 0.000 0.822 164 A HN 0.355 nan 8.150 nan 0.000 0.443 165 L N 0.547 121.899 121.223 0.216 0.000 2.012 165 L HA -0.205 4.133 4.340 -0.003 0.000 0.210 165 L C 1.996 179.035 176.870 0.283 0.000 1.073 165 L CA 2.641 57.625 54.840 0.240 0.000 0.748 165 L CB -0.990 41.172 42.059 0.171 0.000 0.891 165 L HN 0.576 nan 8.230 nan 0.000 0.431 166 N N -1.710 117.121 118.700 0.218 0.000 2.061 166 N HA -0.318 4.421 4.740 -0.003 0.000 0.193 166 N C 1.794 177.472 175.510 0.279 0.000 1.030 166 N CA 1.865 55.030 53.050 0.191 0.000 0.856 166 N CB -0.450 38.098 38.487 0.102 0.000 1.023 166 N HN 0.541 nan 8.380 nan 0.000 0.424 167 W N 0.605 121.985 121.300 0.133 0.000 2.333 167 W HA -0.195 4.464 4.660 -0.003 0.000 0.316 167 W C 2.031 178.683 176.519 0.221 0.000 1.215 167 W CA 1.219 58.652 57.345 0.146 0.000 1.278 167 W CB -0.564 28.954 29.460 0.096 0.000 1.154 167 W HN -0.134 nan 8.180 nan 0.000 0.486 168 V N 0.639 120.903 119.914 0.583 0.000 2.332 168 V HA -0.334 3.785 4.120 -0.003 0.000 0.248 168 V C 2.056 178.393 176.094 0.405 0.000 1.055 168 V CA 2.073 64.623 62.300 0.417 0.000 1.038 168 V CB -1.190 30.733 31.823 0.167 0.000 0.651 168 V HN 0.238 nan 8.190 nan 0.000 0.450 169 F N 1.302 121.376 119.950 0.206 0.000 2.161 169 F HA -0.154 4.371 4.527 -0.003 0.000 0.300 169 F C 2.094 177.953 175.800 0.099 0.000 1.089 169 F CA 1.734 59.841 58.000 0.177 0.000 1.282 169 F CB -0.157 38.913 39.000 0.116 0.000 1.010 169 F HN 0.216 nan 8.300 nan 0.000 0.485 170 N N -0.186 118.671 118.700 0.262 0.000 2.280 170 N HA 0.027 4.766 4.740 -0.003 0.000 0.192 170 N C -0.031 175.374 175.510 -0.175 0.000 1.109 170 N CA 0.353 53.438 53.050 0.058 0.000 0.855 170 N CB -0.180 38.300 38.487 -0.012 0.000 0.974 170 N HN 0.364 nan 8.380 nan 0.000 0.482 171 N N -0.212 118.330 118.700 -0.262 0.000 2.299 171 N HA 0.050 4.788 4.740 -0.003 0.000 0.246 171 N C -0.475 174.739 175.510 -0.493 0.000 1.254 171 N CA -0.169 52.604 53.050 -0.460 0.000 0.879 171 N CB 1.071 38.900 38.487 -1.097 0.000 1.214 171 N HN 0.143 nan 8.380 nan 0.000 0.510 172 Q N 1.444 120.864 119.800 -0.633 0.000 2.337 172 Q HA 0.150 4.488 4.340 -0.003 0.000 0.270 172 Q C -0.386 175.170 176.000 -0.739 0.000 1.002 172 Q CA 0.009 55.033 55.803 -1.298 0.000 0.888 172 Q CB 0.695 28.717 28.738 -1.194 0.000 1.222 172 Q HN 0.277 nan 8.270 nan 0.000 0.400 173 L N 2.998 123.794 121.223 -0.713 0.000 2.466 173 L HA 0.037 4.375 4.340 -0.003 0.000 0.257 173 L C 1.643 178.314 176.870 -0.332 0.000 1.189 173 L CA -0.112 54.487 54.840 -0.401 0.000 0.813 173 L CB 0.429 42.300 42.059 -0.313 0.000 1.118 173 L HN 0.865 nan 8.230 nan 0.000 0.471 174 Q N 1.081 120.758 119.800 -0.206 0.000 2.152 174 Q HA -0.234 4.104 4.340 -0.003 0.000 0.206 174 Q C 0.934 176.856 176.000 -0.131 0.000 0.985 174 Q CA 2.134 57.849 55.803 -0.146 0.000 0.863 174 Q CB 0.065 28.749 28.738 -0.090 0.000 0.904 174 Q HN 0.833 nan 8.270 nan 0.000 0.422 175 D N -1.896 118.426 120.400 -0.130 0.000 2.319 175 D HA 0.081 4.719 4.640 -0.003 0.000 0.230 175 D C 0.935 177.172 176.300 -0.105 0.000 1.094 175 D CA 0.760 54.728 54.000 -0.052 0.000 0.856 175 D CB 0.143 40.980 40.800 0.062 0.000 0.915 175 D HN 0.465 nan 8.370 nan 0.000 0.517 176 G N 0.037 108.682 108.800 -0.258 0.000 2.157 176 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.239 176 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.239 176 G C 0.320 174.952 174.900 -0.446 0.000 0.982 176 G CA 0.388 45.319 45.100 -0.282 0.000 0.650 176 G HN 0.824 nan 8.290 nan 0.000 0.527 177 S N -0.989 114.289 115.700 -0.703 0.000 2.747 177 S HA 0.838 5.306 4.470 -0.003 0.000 0.300 177 S C -0.201 174.108 174.600 -0.485 0.000 1.121 177 S CA -0.896 56.890 58.200 -0.689 0.000 0.995 177 S CB 2.035 64.406 63.200 -1.382 0.000 1.113 177 S HN 0.473 nan 8.310 nan 0.000 0.547 178 W N -0.026 121.165 121.300 -0.181 0.000 2.689 178 W HA 0.618 5.277 4.660 -0.002 0.000 0.340 178 W C 0.468 176.972 176.519 -0.024 0.000 1.060 178 W CA -0.120 57.197 57.345 -0.048 0.000 1.218 178 W CB 1.977 31.478 29.460 0.068 0.000 1.410 178 W HN 1.317 nan 8.180 nan 0.000 0.528 179 G N 0.853 109.792 108.800 0.231 0.000 2.350 179 G HA2 0.110 4.068 3.960 -0.003 0.000 0.276 179 G HA3 0.110 4.068 3.960 -0.003 0.000 0.276 179 G C -1.899 173.084 174.900 0.138 0.000 1.313 179 G CA -1.154 44.042 45.100 0.161 0.000 0.903 179 G HN 0.317 nan 8.290 nan 0.000 0.490 180 I N 1.597 122.232 120.570 0.108 0.000 2.308 180 I HA 0.212 4.380 4.170 -0.003 0.000 0.293 180 I C 1.544 177.734 176.117 0.121 0.000 1.078 180 I CA -0.230 61.148 61.300 0.130 0.000 1.292 180 I CB 1.465 39.544 38.000 0.132 0.000 1.423 180 I HN 0.821 nan 8.210 nan 0.000 0.493 181 E N 4.323 124.579 120.200 0.094 0.000 2.082 181 E HA -0.303 4.046 4.350 -0.003 0.000 0.215 181 E C 1.960 178.603 176.600 0.071 0.000 1.048 181 E CA 2.710 59.148 56.400 0.062 0.000 0.869 181 E CB 0.019 29.742 29.700 0.037 0.000 0.773 181 E HN 0.713 nan 8.360 nan 0.000 0.466 182 S N -0.957 114.785 115.700 0.071 0.000 2.555 182 S HA -0.073 4.395 4.470 -0.003 0.000 0.230 182 S C 0.188 174.634 174.600 -0.257 0.000 0.978 182 S CA 0.433 58.591 58.200 -0.069 0.000 0.934 182 S CB -0.303 62.843 63.200 -0.090 0.000 0.766 182 S HN 0.316 nan 8.310 nan 0.000 0.533 183 H N 0.002 119.095 119.070 0.038 0.000 2.953 183 H HA 0.339 4.893 4.556 -0.003 0.000 0.290 183 H C -1.533 173.835 175.328 0.066 0.000 1.113 183 H CA -0.821 55.243 56.048 0.027 0.000 1.454 183 H CB 0.499 30.239 29.762 -0.037 0.000 1.525 183 H HN 0.285 nan 8.280 nan 0.000 0.505 184 F N 2.441 122.417 119.950 0.044 0.000 2.384 184 F HA 0.373 4.899 4.527 -0.003 0.000 0.338 184 F C 0.086 175.908 175.800 0.037 0.000 1.103 184 F CA 0.045 58.073 58.000 0.047 0.000 1.157 184 F CB 1.330 40.350 39.000 0.033 0.000 1.167 184 F HN 0.309 nan 8.300 nan 0.000 0.529 185 S N 6.031 121.514 115.700 -0.362 0.000 2.562 185 S HA 0.300 4.769 4.470 -0.003 0.000 0.274 185 S C 0.076 174.467 174.600 -0.348 0.000 1.160 185 S CA -0.790 57.318 58.200 -0.153 0.000 0.933 185 S CB 1.015 64.158 63.200 -0.095 0.000 1.100 185 S HN 0.822 nan 8.310 nan 0.000 0.468 186 L N 4.530 125.698 121.223 -0.093 0.000 1.955 186 L HA -0.014 4.324 4.340 -0.003 0.000 0.213 186 L C 2.460 179.236 176.870 -0.157 0.000 1.072 186 L CA 2.526 57.326 54.840 -0.068 0.000 0.755 186 L CB -1.092 40.958 42.059 -0.015 0.000 0.888 186 L HN 0.913 nan 8.230 nan 0.000 0.432 187 C N -0.287 118.862 119.300 -0.253 0.000 2.413 187 C HA -0.200 4.258 4.460 -0.003 0.000 0.277 187 C C 2.542 177.518 174.990 -0.024 0.000 1.228 187 C CA 0.981 59.828 59.018 -0.286 0.000 1.731 187 C CB -1.334 26.052 27.740 -0.591 0.000 2.042 187 C HN 0.768 nan 8.230 nan 0.000 0.468 188 D N 0.232 120.591 120.400 -0.068 0.000 2.116 188 D HA -0.181 4.458 4.640 -0.003 0.000 0.193 188 D C 2.401 178.708 176.300 0.012 0.000 0.998 188 D CA 1.489 55.475 54.000 -0.024 0.000 0.836 188 D CB -0.055 40.710 40.800 -0.058 0.000 0.951 188 D HN 0.260 nan 8.370 nan 0.000 0.449 189 R N -0.416 120.043 120.500 -0.069 0.000 2.092 189 R HA -0.064 4.275 4.340 -0.003 0.000 0.231 189 R C 2.274 178.710 176.300 0.226 0.000 1.119 189 R CA 0.418 56.531 56.100 0.021 0.000 0.970 189 R CB -0.911 29.337 30.300 -0.086 0.000 0.864 189 R HN 0.315 nan 8.270 nan 0.000 0.440 190 L N 0.529 121.867 121.223 0.192 0.000 1.994 190 L HA -0.157 4.182 4.340 -0.003 0.000 0.208 190 L C 2.306 179.375 176.870 0.332 0.000 1.071 190 L CA 1.418 56.397 54.840 0.230 0.000 0.745 190 L CB -1.117 40.897 42.059 -0.076 0.000 0.892 190 L HN 0.062 nan 8.230 nan 0.000 0.431 191 L N -0.308 121.065 121.223 0.250 0.000 1.989 191 L HA -0.209 4.129 4.340 -0.003 0.000 0.211 191 L C 2.330 179.423 176.870 0.372 0.000 1.071 191 L CA 1.558 56.586 54.840 0.313 0.000 0.749 191 L CB -1.326 40.794 42.059 0.100 0.000 0.890 191 L HN 0.354 nan 8.230 nan 0.000 0.431 192 N N -1.227 117.650 118.700 0.296 0.000 2.120 192 N HA -0.127 4.611 4.740 -0.003 0.000 0.188 192 N C 1.748 177.402 175.510 0.240 0.000 1.024 192 N CA 1.779 55.007 53.050 0.298 0.000 0.852 192 N CB -0.528 38.137 38.487 0.298 0.000 1.003 192 N HN 0.351 nan 8.380 nan 0.000 0.424 193 T N 0.366 115.109 114.554 0.316 0.000 2.732 193 T HA -0.040 4.308 4.350 -0.003 0.000 0.261 193 T C 1.933 176.758 174.700 0.208 0.000 1.040 193 T CA 1.495 63.825 62.100 0.383 0.000 1.145 193 T CB -0.609 68.526 68.868 0.444 0.000 0.866 193 T HN 0.254 nan 8.240 nan 0.000 0.427 194 T N 2.196 116.905 114.554 0.257 0.000 2.699 194 T HA -0.155 4.193 4.350 -0.003 0.000 0.268 194 T C 1.879 176.589 174.700 0.016 0.000 1.036 194 T CA 1.311 63.515 62.100 0.174 0.000 1.147 194 T CB -0.491 68.538 68.868 0.269 0.000 0.862 194 T HN 0.475 nan 8.240 nan 0.000 0.446 195 N N -0.028 118.677 118.700 0.009 0.000 2.270 195 N HA -0.063 4.675 4.740 -0.003 0.000 0.181 195 N C 1.798 177.134 175.510 -0.290 0.000 1.016 195 N CA 0.795 53.748 53.050 -0.162 0.000 0.870 195 N CB 0.077 38.476 38.487 -0.146 0.000 0.979 195 N HN 0.213 nan 8.380 nan 0.000 0.431 196 S N -0.161 115.305 115.700 -0.391 0.000 2.387 196 S HA -0.024 4.444 4.470 -0.003 0.000 0.226 196 S C 1.938 176.204 174.600 -0.557 0.000 1.026 196 S CA 0.332 58.079 58.200 -0.755 0.000 0.972 196 S CB 0.047 62.106 63.200 -1.901 0.000 0.814 196 S HN 0.131 nan 8.310 nan 0.000 0.477 197 V N 1.995 121.716 119.914 -0.323 0.000 2.626 197 V HA -0.096 4.023 4.120 -0.003 0.000 0.252 197 V C 1.920 177.933 176.094 -0.136 0.000 1.067 197 V CA 1.234 63.458 62.300 -0.126 0.000 1.081 197 V CB -0.519 31.311 31.823 0.013 0.000 0.686 197 V HN 0.457 nan 8.190 nan 0.000 0.468 198 I N 0.084 120.544 120.570 -0.183 0.000 2.193 198 I HA -0.182 3.986 4.170 -0.003 0.000 0.240 198 I C 2.697 178.667 176.117 -0.244 0.000 1.084 198 I CA 1.369 62.540 61.300 -0.216 0.000 1.365 198 I CB -0.629 37.204 38.000 -0.277 0.000 1.064 198 I HN 0.295 nan 8.210 nan 0.000 0.410 199 A N 1.214 123.884 122.820 -0.250 0.000 1.917 199 A HA -0.199 4.119 4.320 -0.003 0.000 0.219 199 A C 2.287 179.837 177.584 -0.056 0.000 1.182 199 A CA 1.615 53.550 52.037 -0.170 0.000 0.633 199 A CB -0.915 18.022 19.000 -0.105 0.000 0.819 199 A HN 0.389 nan 8.150 nan 0.000 0.448 200 L N -0.879 120.315 121.223 -0.049 0.000 2.027 200 L HA -0.145 4.194 4.340 -0.003 0.000 0.206 200 L C 2.890 179.776 176.870 0.027 0.000 1.074 200 L CA 1.446 56.311 54.840 0.041 0.000 0.745 200 L CB -0.712 41.338 42.059 -0.015 0.000 0.898 200 L HN 0.314 nan 8.230 nan 0.000 0.433 201 S N -0.127 115.544 115.700 -0.048 0.000 2.365 201 S HA -0.185 4.284 4.470 -0.003 0.000 0.225 201 S C 2.053 176.586 174.600 -0.112 0.000 1.039 201 S CA 1.500 59.667 58.200 -0.055 0.000 1.033 201 S CB -0.395 62.758 63.200 -0.079 0.000 0.887 201 S HN 0.175 nan 8.310 nan 0.000 0.447 202 V N -0.456 119.306 119.914 -0.253 0.000 2.469 202 V HA -0.186 3.932 4.120 -0.003 0.000 0.251 202 V C 1.372 177.144 176.094 -0.537 0.000 1.064 202 V CA 1.399 63.401 62.300 -0.495 0.000 1.066 202 V CB -0.656 30.709 31.823 -0.763 0.000 0.667 202 V HN 0.659 nan 8.190 nan 0.000 0.461 203 W N -0.464 120.836 121.300 -0.000 0.000 3.223 203 W HA 0.329 4.988 4.660 -0.003 0.000 0.389 203 W C 0.833 177.379 176.519 0.045 0.000 1.118 203 W CA -0.763 56.597 57.345 0.025 0.000 1.902 203 W CB -0.108 29.377 29.460 0.042 0.000 1.094 203 W HN 0.099 nan 8.180 nan 0.000 0.666 204 K N 0.689 121.204 120.400 0.191 0.000 3.148 204 K HA -0.238 4.081 4.320 -0.003 0.000 0.267 204 K C -0.102 176.611 176.600 0.189 0.000 0.996 204 K CA 0.890 57.270 56.287 0.155 0.000 0.737 204 K CB -1.877 30.705 32.500 0.137 0.000 1.308 204 K HN 0.120 nan 8.250 nan 0.000 0.470 205 T N -1.975 112.706 114.554 0.211 0.000 2.816 205 T HA 0.592 4.940 4.350 -0.003 0.000 0.299 205 T C 0.270 175.075 174.700 0.175 0.000 1.230 205 T CA 0.462 62.713 62.100 0.252 0.000 1.007 205 T CB 1.846 70.923 68.868 0.348 0.000 1.289 205 T HN 0.837 nan 8.240 nan 0.000 0.508 206 G N 2.113 111.004 108.800 0.151 0.000 2.273 206 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.280 206 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.280 206 G C 0.748 175.619 174.900 -0.049 0.000 1.047 206 G CA 1.255 46.214 45.100 -0.234 0.000 0.869 206 G HN 1.035 nan 8.290 nan 0.000 0.502 207 H N 1.012 120.080 119.070 -0.004 0.000 2.325 207 H HA -0.252 4.302 4.556 -0.003 0.000 0.293 207 H C 2.726 178.053 175.328 -0.001 0.000 1.106 207 H CA 2.853 58.908 56.048 0.012 0.000 1.247 207 H CB -0.149 29.634 29.762 0.035 0.000 1.359 207 H HN 0.716 nan 8.280 nan 0.000 0.488 208 S N 1.200 116.920 115.700 0.033 0.000 2.355 208 S HA -0.179 4.290 4.470 -0.003 0.000 0.222 208 S C 2.117 176.674 174.600 -0.072 0.000 1.031 208 S CA 1.149 59.337 58.200 -0.020 0.000 0.993 208 S CB -0.400 62.826 63.200 0.043 0.000 0.859 208 S HN 0.588 nan 8.310 nan 0.000 0.453 209 Q N 1.434 121.179 119.800 -0.092 0.000 2.135 209 Q HA -0.040 4.299 4.340 -0.003 0.000 0.204 209 Q C 2.347 178.360 176.000 0.023 0.000 0.981 209 Q CA 1.453 57.214 55.803 -0.070 0.000 0.856 209 Q CB -1.319 27.360 28.738 -0.099 0.000 0.902 209 Q HN 0.509 nan 8.270 nan 0.000 0.425 210 V N 2.027 121.933 119.914 -0.014 0.000 2.255 210 V HA -0.267 3.851 4.120 -0.003 0.000 0.247 210 V C 2.677 178.750 176.094 -0.034 0.000 1.051 210 V CA 2.039 64.337 62.300 -0.003 0.000 1.018 210 V CB -0.636 31.149 31.823 -0.065 0.000 0.641 210 V HN 0.324 nan 8.190 nan 0.000 0.445 211 Q N -0.320 119.401 119.800 -0.132 0.000 2.061 211 Q HA -0.293 4.045 4.340 -0.003 0.000 0.204 211 Q C 2.270 178.253 176.000 -0.027 0.000 0.984 211 Q CA 2.108 57.843 55.803 -0.114 0.000 0.846 211 Q CB -0.462 28.174 28.738 -0.170 0.000 0.902 211 Q HN 0.728 nan 8.270 nan 0.000 0.421 212 Q N -0.571 119.217 119.800 -0.020 0.000 2.167 212 Q HA -0.097 4.241 4.340 -0.003 0.000 0.202 212 Q C 1.925 177.964 176.000 0.065 0.000 0.970 212 Q CA 1.288 57.095 55.803 0.007 0.000 0.855 212 Q CB -0.145 28.571 28.738 -0.037 0.000 0.911 212 Q HN 0.441 nan 8.270 nan 0.000 0.438 213 G N 0.322 109.181 108.800 0.099 0.000 2.402 213 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.216 213 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.216 213 G C 1.447 176.483 174.900 0.227 0.000 1.162 213 G CA 0.811 46.043 45.100 0.221 0.000 0.777 213 G HN 0.467 nan 8.290 nan 0.000 0.539 214 A N 1.080 123.980 122.820 0.133 0.000 1.873 214 A HA -0.113 4.206 4.320 -0.003 0.000 0.218 214 A C 2.117 179.756 177.584 0.092 0.000 1.193 214 A CA 2.110 54.201 52.037 0.091 0.000 0.629 214 A CB -0.575 18.441 19.000 0.028 0.000 0.826 214 A HN 0.457 nan 8.150 nan 0.000 0.447 215 E N -1.454 118.797 120.200 0.085 0.000 2.049 215 E HA -0.248 4.100 4.350 -0.003 0.000 0.198 215 E C 1.800 178.467 176.600 0.113 0.000 1.007 215 E CA 1.587 58.033 56.400 0.076 0.000 0.809 215 E CB -0.360 29.382 29.700 0.070 0.000 0.749 215 E HN 0.682 nan 8.360 nan 0.000 0.450 216 F N 1.345 121.322 119.950 0.045 0.000 2.091 216 F HA -0.247 4.278 4.527 -0.003 0.000 0.299 216 F C 2.063 177.920 175.800 0.094 0.000 1.103 216 F CA 1.555 59.598 58.000 0.072 0.000 1.228 216 F CB -0.096 38.955 39.000 0.085 0.000 0.984 216 F HN -0.055 nan 8.300 nan 0.000 0.477 217 I N 0.130 120.838 120.570 0.230 0.000 2.179 217 I HA -0.330 3.839 4.170 -0.003 0.000 0.242 217 I C 2.741 178.872 176.117 0.023 0.000 1.088 217 I CA 1.165 62.561 61.300 0.159 0.000 1.357 217 I CB -1.158 36.978 38.000 0.226 0.000 1.051 217 I HN 0.247 nan 8.210 nan 0.000 0.409 218 A N 0.688 123.509 122.820 0.002 0.000 1.873 218 A HA -0.313 4.006 4.320 -0.003 0.000 0.218 218 A C 2.348 179.898 177.584 -0.058 0.000 1.193 218 A CA 2.280 54.297 52.037 -0.034 0.000 0.629 218 A CB -0.852 18.125 19.000 -0.038 0.000 0.826 218 A HN 0.543 nan 8.150 nan 0.000 0.447 219 E N -0.108 120.032 120.200 -0.099 0.000 2.058 219 E HA -0.225 4.123 4.350 -0.003 0.000 0.194 219 E C 1.787 178.291 176.600 -0.160 0.000 0.997 219 E CA 1.552 57.874 56.400 -0.129 0.000 0.801 219 E CB -0.263 29.343 29.700 -0.157 0.000 0.746 219 E HN 0.727 nan 8.360 nan 0.000 0.450 220 N N 0.167 118.710 118.700 -0.263 0.000 2.409 220 N HA -0.064 4.674 4.740 -0.003 0.000 0.179 220 N C 2.076 177.543 175.510 -0.071 0.000 1.032 220 N CA 0.374 53.289 53.050 -0.225 0.000 0.898 220 N CB 0.064 38.301 38.487 -0.417 0.000 0.971 220 N HN 0.224 nan 8.380 nan 0.000 0.441 221 L N 1.414 122.634 121.223 -0.006 0.000 2.042 221 L HA -0.159 4.179 4.340 -0.003 0.000 0.210 221 L C 2.321 179.235 176.870 0.073 0.000 1.076 221 L CA 1.317 56.217 54.840 0.100 0.000 0.749 221 L CB -0.243 41.898 42.059 0.137 0.000 0.893 221 L HN 0.129 nan 8.230 nan 0.000 0.432 222 R N -0.206 120.305 120.500 0.018 0.000 2.241 222 R HA -0.113 4.225 4.340 -0.003 0.000 0.224 222 R C 2.010 178.289 176.300 -0.034 0.000 1.101 222 R CA 0.861 56.964 56.100 0.004 0.000 0.995 222 R CB -0.315 29.976 30.300 -0.015 0.000 0.870 222 R HN 0.401 nan 8.270 nan 0.000 0.463 223 L N 0.886 122.078 121.223 -0.051 0.000 2.492 223 L HA 0.032 4.370 4.340 -0.003 0.000 0.223 223 L C 0.758 177.557 176.870 -0.118 0.000 1.132 223 L CA 0.062 54.854 54.840 -0.080 0.000 0.850 223 L CB -0.115 41.902 42.059 -0.071 0.000 0.966 223 L HN 0.110 nan 8.230 nan 0.000 0.454 224 L N 1.859 123.019 121.223 -0.105 0.000 2.704 224 L HA -0.050 4.289 4.340 -0.003 0.000 0.279 224 L C 0.634 177.187 176.870 -0.529 0.000 1.147 224 L CA 0.061 54.772 54.840 -0.214 0.000 0.994 224 L CB -0.832 41.249 42.059 0.037 0.000 1.332 224 L HN 0.356 nan 8.230 nan 0.000 0.471 225 N N 2.334 120.763 118.700 -0.452 0.000 2.253 225 N HA -0.039 4.699 4.740 -0.003 0.000 0.250 225 N C 0.336 175.374 175.510 -0.788 0.000 1.292 225 N CA -0.019 52.756 53.050 -0.458 0.000 0.871 225 N CB 0.367 38.696 38.487 -0.264 0.000 1.013 225 N HN 0.518 nan 8.380 nan 0.000 0.457 226 E N -0.884 119.057 120.200 -0.432 0.000 2.660 226 E HA 0.002 4.350 4.350 -0.003 0.000 0.216 226 E C -0.314 176.232 176.600 -0.090 0.000 0.986 226 E CA -0.021 56.218 56.400 -0.268 0.000 1.037 226 E CB 0.546 30.176 29.700 -0.117 0.000 1.041 226 E HN 0.565 nan 8.360 nan 0.000 0.480 227 E N -0.502 119.631 120.200 -0.110 0.000 2.614 227 E HA -0.026 4.323 4.350 -0.003 0.000 0.201 227 E C 0.104 176.677 176.600 -0.046 0.000 0.889 227 E CA -0.226 56.145 56.400 -0.049 0.000 1.564 227 E CB -0.344 29.326 29.700 -0.049 0.000 1.623 227 E HN 0.060 nan 8.360 nan 0.000 0.898 228 D N 1.796 122.145 120.400 -0.085 0.000 2.449 228 D HA 0.025 4.663 4.640 -0.003 0.000 0.236 228 D C -0.040 176.225 176.300 -0.057 0.000 1.149 228 D CA -0.113 53.841 54.000 -0.077 0.000 0.878 228 D CB 0.894 41.630 40.800 -0.107 0.000 1.198 228 D HN 0.017 nan 8.370 nan 0.000 0.446 229 E N 1.078 121.251 120.200 -0.045 0.000 2.344 229 E HA 0.247 4.595 4.350 -0.003 0.000 0.270 229 E C -0.735 175.818 176.600 -0.079 0.000 1.021 229 E CA -0.264 56.119 56.400 -0.030 0.000 0.887 229 E CB 0.402 30.095 29.700 -0.013 0.000 0.997 229 E HN 0.435 nan 8.360 nan 0.000 0.429 230 L N 3.403 124.589 121.223 -0.061 0.000 2.325 230 L HA 0.337 4.676 4.340 -0.003 0.000 0.279 230 L C 0.400 177.213 176.870 -0.095 0.000 1.054 230 L CA -0.876 53.865 54.840 -0.166 0.000 0.804 230 L CB 1.452 43.470 42.059 -0.069 0.000 1.200 230 L HN 0.636 nan 8.230 nan 0.000 0.436 231 S N 2.015 117.625 115.700 -0.150 0.000 2.573 231 S HA 0.205 4.674 4.470 -0.003 0.000 0.277 231 S C -2.451 172.158 174.600 0.015 0.000 1.346 231 S CA -1.188 56.985 58.200 -0.046 0.000 1.034 231 S CB -0.040 63.143 63.200 -0.028 0.000 0.879 231 S HN 0.343 nan 8.310 nan 0.000 0.528 232 P HA 0.076 nan 4.420 nan 0.000 0.260 232 P C -0.057 177.221 177.300 -0.038 0.000 1.172 232 P CA 0.834 63.792 63.100 -0.235 0.000 0.760 232 P CB -0.012 31.215 31.700 -0.788 0.000 0.773 233 D N 0.639 121.065 120.400 0.043 0.000 3.059 233 D HA -0.249 4.389 4.640 -0.003 0.000 0.220 233 D C 0.664 177.038 176.300 0.125 0.000 1.169 233 D CA 0.660 54.714 54.000 0.091 0.000 0.902 233 D CB -1.585 39.265 40.800 0.083 0.000 1.116 233 D HN 0.408 nan 8.370 nan 0.000 0.417 234 F N 1.211 121.175 119.950 0.023 0.000 2.126 234 F HA -0.256 4.269 4.527 -0.003 0.000 0.299 234 F C 2.363 178.235 175.800 0.120 0.000 1.096 234 F CA 2.066 60.099 58.000 0.056 0.000 1.255 234 F CB 0.087 39.101 39.000 0.022 0.000 0.997 234 F HN -0.049 nan 8.300 nan 0.000 0.479 235 Q N 0.455 120.388 119.800 0.221 0.000 2.170 235 Q HA -0.133 4.205 4.340 -0.003 0.000 0.203 235 Q C 2.111 178.105 176.000 -0.010 0.000 0.976 235 Q CA 2.024 57.891 55.803 0.107 0.000 0.858 235 Q CB -0.464 28.328 28.738 0.089 0.000 0.907 235 Q HN 0.529 nan 8.270 nan 0.000 0.433 236 I N -0.051 120.520 120.570 0.002 0.000 2.385 236 I HA -0.102 4.067 4.170 -0.003 0.000 0.244 236 I C 2.062 178.170 176.117 -0.016 0.000 1.089 236 I CA 0.717 62.009 61.300 -0.013 0.000 1.410 236 I CB -0.244 37.761 38.000 0.009 0.000 1.117 236 I HN 0.202 nan 8.210 nan 0.000 0.429 237 I N -2.109 118.461 120.570 0.001 0.000 2.617 237 I HA -0.181 3.987 4.170 -0.003 0.000 0.256 237 I C 2.525 178.657 176.117 0.026 0.000 1.167 237 I CA 1.324 62.655 61.300 0.052 0.000 1.469 237 I CB -0.528 37.532 38.000 0.100 0.000 1.098 237 I HN 0.084 nan 8.210 nan 0.000 0.436 238 F N 3.118 122.863 119.950 -0.341 0.000 2.074 238 F HA 0.050 4.575 4.527 -0.003 0.000 0.293 238 F C -0.469 175.214 175.800 -0.195 0.000 1.116 238 F CA 1.414 59.161 58.000 -0.422 0.000 1.212 238 F CB -1.081 37.278 39.000 -1.068 0.000 0.998 238 F HN 0.002 nan 8.300 nan 0.000 0.471 239 P HA -0.210 nan 4.420 nan 0.000 0.218 239 P C 1.277 178.438 177.300 -0.231 0.000 1.146 239 P CA 2.099 65.030 63.100 -0.282 0.000 0.813 239 P CB -0.354 31.253 31.700 -0.154 0.000 0.778 240 A N -0.718 122.017 122.820 -0.141 0.000 1.940 240 A HA -0.176 4.142 4.320 -0.003 0.000 0.219 240 A C 2.155 179.675 177.584 -0.106 0.000 1.176 240 A CA 1.450 53.446 52.037 -0.069 0.000 0.631 240 A CB -1.554 17.470 19.000 0.040 0.000 0.814 240 A HN 0.153 nan 8.150 nan 0.000 0.446 241 L N -0.834 120.292 121.223 -0.163 0.000 2.072 241 L HA -0.116 4.223 4.340 -0.003 0.000 0.205 241 L C 2.537 179.261 176.870 -0.244 0.000 1.079 241 L CA 0.772 55.501 54.840 -0.186 0.000 0.752 241 L CB -0.581 41.396 42.059 -0.137 0.000 0.906 241 L HN 0.356 nan 8.230 nan 0.000 0.436 242 L N -0.287 120.712 121.223 -0.373 0.000 2.012 242 L HA -0.279 4.060 4.340 -0.003 0.000 0.210 242 L C 2.769 179.501 176.870 -0.231 0.000 1.073 242 L CA 1.598 56.284 54.840 -0.257 0.000 0.748 242 L CB -0.651 41.230 42.059 -0.297 0.000 0.891 242 L HN 0.390 nan 8.230 nan 0.000 0.431 243 Q N 0.632 120.292 119.800 -0.234 0.000 2.112 243 Q HA -0.296 4.042 4.340 -0.003 0.000 0.206 243 Q C 2.142 178.028 176.000 -0.189 0.000 0.987 243 Q CA 2.037 57.710 55.803 -0.217 0.000 0.858 243 Q CB -0.006 28.639 28.738 -0.156 0.000 0.905 243 Q HN 0.101 nan 8.270 nan 0.000 0.420 244 K N 0.065 120.368 120.400 -0.162 0.000 2.288 244 K HA 0.034 4.353 4.320 -0.003 0.000 0.201 244 K C 1.565 178.082 176.600 -0.139 0.000 1.048 244 K CA 1.093 57.287 56.287 -0.154 0.000 0.956 244 K CB -0.384 32.009 32.500 -0.177 0.000 0.746 244 K HN 0.358 nan 8.250 nan 0.000 0.461 245 A N 0.646 123.396 122.820 -0.117 0.000 1.898 245 A HA -0.123 4.196 4.320 -0.003 0.000 0.216 245 A C 1.975 179.566 177.584 0.011 0.000 1.181 245 A CA 1.514 53.542 52.037 -0.016 0.000 0.620 245 A CB -0.363 18.697 19.000 0.100 0.000 0.819 245 A HN 0.299 nan 8.150 nan 0.000 0.442 246 K N -0.307 119.992 120.400 -0.169 0.000 2.009 246 K HA -0.121 4.198 4.320 -0.003 0.000 0.210 246 K C 2.295 178.828 176.600 -0.112 0.000 1.049 246 K CA 1.307 57.450 56.287 -0.240 0.000 0.929 246 K CB -0.374 31.830 32.500 -0.493 0.000 0.714 246 K HN 0.420 nan 8.250 nan 0.000 0.440 247 A N 1.109 123.853 122.820 -0.128 0.000 1.978 247 A HA -0.150 4.168 4.320 -0.003 0.000 0.220 247 A C 1.951 179.491 177.584 -0.074 0.000 1.170 247 A CA 1.375 53.354 52.037 -0.097 0.000 0.636 247 A CB -0.608 18.329 19.000 -0.105 0.000 0.810 247 A HN 0.229 nan 8.150 nan 0.000 0.448 248 L N -1.301 119.879 121.223 -0.071 0.000 2.552 248 L HA 0.138 4.476 4.340 -0.003 0.000 0.227 248 L C 1.609 178.467 176.870 -0.021 0.000 1.146 248 L CA 0.495 55.299 54.840 -0.060 0.000 0.858 248 L CB -0.385 41.627 42.059 -0.077 0.000 0.969 248 L HN 0.597 nan 8.230 nan 0.000 0.451 249 G N 1.097 109.898 108.800 0.000 0.000 2.160 249 G HA2 -0.273 3.685 3.960 -0.003 0.000 0.244 249 G HA3 -0.273 3.685 3.960 -0.003 0.000 0.244 249 G C 0.098 175.032 174.900 0.057 0.000 1.022 249 G CA -0.266 44.852 45.100 0.030 0.000 0.741 249 G HN 0.298 nan 8.290 nan 0.000 0.508 250 I N 0.666 121.285 120.570 0.082 0.000 2.371 250 I HA 0.140 4.308 4.170 -0.003 0.000 0.290 250 I C 0.872 177.051 176.117 0.103 0.000 1.028 250 I CA -0.367 60.980 61.300 0.079 0.000 1.345 250 I CB 1.144 39.184 38.000 0.066 0.000 1.407 250 I HN 0.230 nan 8.210 nan 0.000 0.501 251 N N 8.063 126.778 118.700 0.025 0.000 2.421 251 N HA 0.350 5.089 4.740 -0.003 0.000 0.260 251 N C -1.256 174.157 175.510 -0.161 0.000 1.173 251 N CA -0.269 52.762 53.050 -0.031 0.000 0.960 251 N CB 0.385 38.863 38.487 -0.014 0.000 1.273 251 N HN 0.438 nan 8.380 nan 0.000 0.497 252 L N 3.915 124.867 121.223 -0.452 0.000 2.388 252 L HA 0.506 4.844 4.340 -0.003 0.000 0.264 252 L C -2.097 174.333 176.870 -0.734 0.000 0.998 252 L CA -2.095 52.387 54.840 -0.597 0.000 0.817 252 L CB 2.349 44.012 42.059 -0.660 0.000 1.338 252 L HN 0.391 nan 8.230 nan 0.000 0.414 253 P HA -0.012 nan 4.420 nan 0.000 0.245 253 P C -0.045 177.186 177.300 -0.116 0.000 1.670 253 P CA 0.109 63.103 63.100 -0.178 0.000 1.146 253 P CB -0.243 31.416 31.700 -0.068 0.000 1.954 254 Y N 0.605 120.929 120.300 0.039 0.000 2.293 254 Y HA -0.140 4.408 4.550 -0.002 0.000 0.291 254 Y C 1.948 177.874 175.900 0.043 0.000 1.137 254 Y CA 1.289 59.408 58.100 0.032 0.000 1.202 254 Y CB -0.857 37.606 38.460 0.004 0.000 0.990 254 Y HN 0.182 nan 8.280 nan 0.000 0.537 255 D N 0.049 120.555 120.400 0.176 0.000 2.312 255 D HA -0.046 4.592 4.640 -0.003 0.000 0.211 255 D C 0.432 176.800 176.300 0.113 0.000 0.964 255 D CA 0.411 54.486 54.000 0.125 0.000 0.877 255 D CB -0.350 40.505 40.800 0.092 0.000 0.924 255 D HN 0.206 nan 8.370 nan 0.000 0.515 256 L N 1.692 122.986 121.223 0.119 0.000 2.678 256 L HA -0.084 4.255 4.340 -0.003 0.000 0.285 256 L C -1.011 175.957 176.870 0.164 0.000 1.233 256 L CA -0.755 54.163 54.840 0.131 0.000 0.920 256 L CB 0.177 42.323 42.059 0.144 0.000 1.176 256 L HN -0.115 nan 8.230 nan 0.000 0.495 257 P HA -0.249 nan 4.420 nan 0.000 0.217 257 P C 1.289 178.725 177.300 0.227 0.000 1.151 257 P CA 1.513 64.708 63.100 0.159 0.000 0.849 257 P CB 0.101 31.882 31.700 0.135 0.000 0.787 258 F N 0.208 120.234 119.950 0.126 0.000 2.219 258 F HA 0.009 4.535 4.527 -0.002 0.000 0.294 258 F C 1.947 177.904 175.800 0.262 0.000 1.086 258 F CA 0.675 58.783 58.000 0.181 0.000 1.330 258 F CB -0.530 38.550 39.000 0.135 0.000 1.047 258 F HN -0.229 nan 8.300 nan 0.000 0.495 259 I N -1.218 119.527 120.570 0.293 0.000 3.176 259 I HA -0.079 4.089 4.170 -0.003 0.000 0.275 259 I C 1.736 177.917 176.117 0.108 0.000 1.298 259 I CA 1.164 62.596 61.300 0.219 0.000 1.445 259 I CB -0.401 37.780 38.000 0.302 0.000 1.075 259 I HN 0.030 nan 8.210 nan 0.000 0.482 260 K N 0.023 120.486 120.400 0.106 0.000 2.262 260 K HA -0.080 4.238 4.320 -0.003 0.000 0.200 260 K C 1.887 178.506 176.600 0.031 0.000 1.049 260 K CA 1.015 57.340 56.287 0.064 0.000 0.979 260 K CB -0.155 32.396 32.500 0.085 0.000 0.773 260 K HN 0.487 nan 8.250 nan 0.000 0.474 261 Y N 1.463 121.698 120.300 -0.108 0.000 2.163 261 Y HA -0.166 4.383 4.550 -0.003 0.000 0.288 261 Y C 1.673 177.464 175.900 -0.181 0.000 1.136 261 Y CA 1.276 59.278 58.100 -0.163 0.000 1.147 261 Y CB -0.098 38.203 38.460 -0.264 0.000 0.987 261 Y HN -0.110 nan 8.280 nan 0.000 0.509 262 L N -0.492 120.485 121.223 -0.409 0.000 2.046 262 L HA -0.230 4.109 4.340 -0.003 0.000 0.208 262 L C 2.815 179.528 176.870 -0.262 0.000 1.077 262 L CA 1.634 56.246 54.840 -0.379 0.000 0.747 262 L CB -0.910 41.091 42.059 -0.096 0.000 0.896 262 L HN 0.268 nan 8.230 nan 0.000 0.432 263 S N -0.958 114.643 115.700 -0.165 0.000 2.399 263 S HA -0.164 4.304 4.470 -0.003 0.000 0.231 263 S C 1.937 176.450 174.600 -0.144 0.000 1.022 263 S CA 1.909 60.031 58.200 -0.131 0.000 0.983 263 S CB -0.139 63.009 63.200 -0.086 0.000 0.803 263 S HN 0.437 nan 8.310 nan 0.000 0.480 264 T N 1.079 115.528 114.554 -0.174 0.000 2.894 264 T HA -0.045 4.303 4.350 -0.003 0.000 0.258 264 T C 2.176 176.766 174.700 -0.183 0.000 1.043 264 T CA 1.654 63.666 62.100 -0.147 0.000 1.141 264 T CB -0.752 68.055 68.868 -0.102 0.000 0.873 264 T HN 0.790 nan 8.240 nan 0.000 0.449 265 T N 1.205 115.571 114.554 -0.315 0.000 2.833 265 T HA -0.129 4.219 4.350 -0.003 0.000 0.269 265 T C 1.982 176.580 174.700 -0.169 0.000 1.054 265 T CA 1.050 62.982 62.100 -0.279 0.000 1.135 265 T CB -0.281 68.318 68.868 -0.448 0.000 0.869 265 T HN 0.317 nan 8.240 nan 0.000 0.466 266 R N 1.266 121.668 120.500 -0.162 0.000 2.092 266 R HA -0.071 4.267 4.340 -0.003 0.000 0.231 266 R C 2.342 178.592 176.300 -0.085 0.000 1.119 266 R CA 1.622 57.659 56.100 -0.106 0.000 0.970 266 R CB -0.204 30.036 30.300 -0.100 0.000 0.864 266 R HN 0.581 nan 8.270 nan 0.000 0.440 267 E N 0.023 120.169 120.200 -0.090 0.000 2.106 267 E HA -0.124 4.225 4.350 -0.003 0.000 0.192 267 E C 1.892 178.456 176.600 -0.060 0.000 0.984 267 E CA 1.060 57.419 56.400 -0.070 0.000 0.806 267 E CB -0.056 29.604 29.700 -0.067 0.000 0.750 267 E HN 0.470 nan 8.360 nan 0.000 0.458 268 A N 1.117 123.897 122.820 -0.066 0.000 2.019 268 A HA -0.155 4.163 4.320 -0.003 0.000 0.219 268 A C 2.092 179.648 177.584 -0.046 0.000 1.164 268 A CA 1.329 53.335 52.037 -0.051 0.000 0.644 268 A CB -0.226 18.743 19.000 -0.051 0.000 0.805 268 A HN -0.017 nan 8.150 nan 0.000 0.449 269 R N -0.246 120.223 120.500 -0.053 0.000 2.127 269 R HA 0.194 4.532 4.340 -0.003 0.000 0.217 269 R C 1.789 178.060 176.300 -0.048 0.000 1.074 269 R CA 0.851 56.923 56.100 -0.046 0.000 0.991 269 R CB -0.572 29.700 30.300 -0.046 0.000 0.895 269 R HN 0.513 nan 8.270 nan 0.000 0.450 270 L N 0.090 121.282 121.223 -0.051 0.000 2.093 270 L HA -0.144 4.194 4.340 -0.003 0.000 0.208 270 L C 2.309 179.150 176.870 -0.049 0.000 1.085 270 L CA 1.904 56.713 54.840 -0.052 0.000 0.755 270 L CB -0.940 41.091 42.059 -0.048 0.000 0.904 270 L HN 0.415 nan 8.230 nan 0.000 0.435 271 T N -3.642 110.886 114.554 -0.043 0.000 2.788 271 T HA -0.179 4.169 4.350 -0.003 0.000 0.268 271 T C 1.453 176.131 174.700 -0.037 0.000 1.044 271 T CA 1.395 63.472 62.100 -0.037 0.000 1.139 271 T CB -0.337 68.512 68.868 -0.031 0.000 0.867 271 T HN 0.188 nan 8.240 nan 0.000 0.454 272 D N 1.311 121.688 120.400 -0.038 0.000 2.123 272 D HA -0.057 4.582 4.640 -0.003 0.000 0.196 272 D C 2.301 178.574 176.300 -0.045 0.000 0.992 272 D CA 1.040 55.018 54.000 -0.037 0.000 0.833 272 D CB -0.578 40.201 40.800 -0.035 0.000 0.954 272 D HN 0.390 nan 8.370 nan 0.000 0.455 273 V N 0.361 120.242 119.914 -0.056 0.000 2.427 273 V HA -0.172 3.946 4.120 -0.003 0.000 0.248 273 V C 2.493 178.548 176.094 -0.066 0.000 1.051 273 V CA 1.656 63.914 62.300 -0.069 0.000 1.048 273 V CB -0.526 31.242 31.823 -0.091 0.000 0.666 273 V HN 0.188 nan 8.190 nan 0.000 0.456 274 S N 0.503 116.168 115.700 -0.058 0.000 2.368 274 S HA -0.057 4.412 4.470 -0.003 0.000 0.224 274 S C 1.827 176.403 174.600 -0.040 0.000 1.029 274 S CA 1.277 59.447 58.200 -0.050 0.000 0.988 274 S CB -0.264 62.910 63.200 -0.043 0.000 0.838 274 S HN 0.604 nan 8.310 nan 0.000 0.462 275 A N 0.333 123.132 122.820 -0.035 0.000 2.302 275 A HA 0.697 5.015 4.320 -0.003 0.000 0.219 275 A C 0.668 178.235 177.584 -0.028 0.000 1.243 275 A CA 0.330 52.350 52.037 -0.028 0.000 0.856 275 A CB -0.586 18.399 19.000 -0.024 0.000 0.893 275 A HN 0.605 nan 8.150 nan 0.000 0.491 276 A N -0.650 122.150 122.820 -0.033 0.000 2.290 276 A HA 0.647 4.965 4.320 -0.003 0.000 0.310 276 A C 1.355 178.923 177.584 -0.027 0.000 1.202 276 A CA 0.125 52.143 52.037 -0.031 0.000 0.837 276 A CB 0.511 19.488 19.000 -0.038 0.000 1.139 276 A HN 0.941 nan 8.150 nan 0.000 0.509 277 A N 1.738 124.545 122.820 -0.022 0.000 1.908 277 A HA -0.099 4.219 4.320 -0.003 0.000 0.218 277 A C 1.040 178.615 177.584 -0.015 0.000 1.181 277 A CA 1.882 53.908 52.037 -0.018 0.000 0.627 277 A CB -0.202 18.789 19.000 -0.016 0.000 0.818 277 A HN 0.709 nan 8.150 nan 0.000 0.445 278 D N -0.885 119.508 120.400 -0.011 0.000 2.388 278 D HA 0.107 4.746 4.640 -0.003 0.000 0.221 278 D C 0.688 176.993 176.300 0.007 0.000 1.133 278 D CA -0.014 53.988 54.000 0.003 0.000 0.831 278 D CB -0.312 40.499 40.800 0.018 0.000 0.962 278 D HN 0.542 nan 8.370 nan 0.000 0.502 279 N N 0.402 119.090 118.700 -0.021 0.000 1.258 279 N HA -0.272 4.466 4.740 -0.003 0.000 0.141 279 N C -0.128 175.350 175.510 -0.052 0.000 0.811 279 N CA 0.508 53.531 53.050 -0.045 0.000 0.960 279 N CB -1.052 37.401 38.487 -0.055 0.000 1.205 279 N HN 0.210 nan 8.380 nan 0.000 0.527 280 I N 3.518 124.046 120.570 -0.069 0.000 2.505 280 I HA 0.132 4.301 4.170 -0.003 0.000 0.287 280 I C -1.834 174.214 176.117 -0.115 0.000 1.104 280 I CA -1.363 59.871 61.300 -0.110 0.000 1.387 280 I CB 0.642 38.543 38.000 -0.165 0.000 1.404 280 I HN 0.280 nan 8.210 nan 0.000 0.528 281 P HA 0.089 nan 4.420 nan 0.000 0.272 281 P C 0.136 177.276 177.300 -0.267 0.000 1.230 281 P CA -0.230 62.790 63.100 -0.135 0.000 0.788 281 P CB 0.813 32.449 31.700 -0.107 0.000 0.949 282 A N 2.734 125.386 122.820 -0.280 0.000 1.933 282 A HA -0.201 4.117 4.320 -0.003 0.000 0.218 282 A C 1.566 178.988 177.584 -0.270 0.000 1.175 282 A CA 1.820 53.611 52.037 -0.409 0.000 0.628 282 A CB -1.400 17.474 19.000 -0.210 0.000 0.814 282 A HN 0.722 nan 8.150 nan 0.000 0.444 283 N N -0.648 117.940 118.700 -0.186 0.000 2.575 283 N HA -0.010 4.729 4.740 -0.003 0.000 0.192 283 N C 0.729 176.188 175.510 -0.085 0.000 1.200 283 N CA 0.838 53.811 53.050 -0.129 0.000 0.897 283 N CB -0.356 38.056 38.487 -0.125 0.000 0.990 283 N HN 0.558 nan 8.380 nan 0.000 0.449 284 M N -0.830 118.697 119.600 -0.123 0.000 2.347 284 M HA 0.207 4.685 4.480 -0.003 0.000 0.324 284 M C 0.839 177.076 176.300 -0.105 0.000 1.028 284 M CA -0.307 54.942 55.300 -0.085 0.000 0.988 284 M CB 0.489 33.035 32.600 -0.089 0.000 1.528 284 M HN 0.001 nan 8.290 nan 0.000 0.550 285 L N 1.609 122.734 121.223 -0.163 0.000 2.127 285 L HA -0.182 4.156 4.340 -0.003 0.000 0.211 285 L C 1.891 178.746 176.870 -0.024 0.000 1.089 285 L CA 1.873 56.624 54.840 -0.147 0.000 0.757 285 L CB -0.774 41.160 42.059 -0.210 0.000 0.899 285 L HN 0.436 nan 8.230 nan 0.000 0.434 286 N N -0.551 118.161 118.700 0.020 0.000 2.120 286 N HA -0.150 4.588 4.740 -0.003 0.000 0.188 286 N C 1.259 176.815 175.510 0.076 0.000 1.024 286 N CA 1.134 54.238 53.050 0.090 0.000 0.852 286 N CB 0.044 38.625 38.487 0.157 0.000 1.003 286 N HN 0.441 nan 8.380 nan 0.000 0.424 287 A N 1.169 124.017 122.820 0.047 0.000 2.462 287 A HA 0.165 4.483 4.320 -0.003 0.000 0.261 287 A C 1.757 179.349 177.584 0.013 0.000 1.323 287 A CA -0.391 51.673 52.037 0.045 0.000 0.913 287 A CB -0.344 18.681 19.000 0.043 0.000 1.028 287 A HN 0.435 nan 8.150 nan 0.000 0.511 288 L N 0.461 121.673 121.223 -0.019 0.000 2.064 288 L HA -0.236 4.103 4.340 -0.003 0.000 0.216 288 L C 2.483 179.325 176.870 -0.047 0.000 1.077 288 L CA 2.438 57.239 54.840 -0.065 0.000 0.766 288 L CB -0.118 41.890 42.059 -0.086 0.000 0.890 288 L HN 0.678 nan 8.230 nan 0.000 0.435 289 E N -0.595 119.578 120.200 -0.044 0.000 2.482 289 E HA -0.075 4.274 4.350 -0.003 0.000 0.196 289 E C 1.467 178.155 176.600 0.148 0.000 1.047 289 E CA 0.923 57.300 56.400 -0.038 0.000 0.869 289 E CB -0.194 29.337 29.700 -0.281 0.000 0.836 289 E HN 0.554 nan 8.360 nan 0.000 0.520 290 G N 1.076 109.940 108.800 0.106 0.000 3.523 290 G HA2 0.364 4.322 3.960 -0.003 0.000 0.270 290 G HA3 0.364 4.322 3.960 -0.003 0.000 0.270 290 G C 0.602 175.525 174.900 0.038 0.000 1.134 290 G CA -0.327 44.831 45.100 0.096 0.000 0.825 290 G HN 0.165 nan 8.290 nan 0.000 0.534 291 L N -0.649 120.590 121.223 0.025 0.000 3.483 291 L HA 0.289 4.627 4.340 -0.003 0.000 0.327 291 L C 1.405 178.259 176.870 -0.027 0.000 1.318 291 L CA -0.110 54.716 54.840 -0.024 0.000 0.979 291 L CB 0.583 42.598 42.059 -0.073 0.000 1.404 291 L HN 0.070 nan 8.230 nan 0.000 0.615 292 E N 1.513 121.763 120.200 0.083 0.000 2.171 292 E HA -0.225 4.123 4.350 -0.003 0.000 0.197 292 E C 1.379 178.077 176.600 0.162 0.000 0.997 292 E CA 1.661 58.198 56.400 0.228 0.000 0.810 292 E CB 0.218 30.108 29.700 0.318 0.000 0.738 292 E HN 0.521 nan 8.360 nan 0.000 0.467 293 E N 0.363 120.603 120.200 0.068 0.000 2.437 293 E HA -0.035 4.314 4.350 -0.003 0.000 0.189 293 E C 1.228 177.816 176.600 -0.021 0.000 1.054 293 E CA 0.487 56.915 56.400 0.047 0.000 0.874 293 E CB 0.741 30.460 29.700 0.032 0.000 1.011 293 E HN 0.274 nan 8.360 nan 0.000 0.474 294 V N -2.680 117.181 119.914 -0.088 0.000 3.392 294 V HA 0.408 4.526 4.120 -0.003 0.000 0.294 294 V C 0.559 176.521 176.094 -0.220 0.000 1.561 294 V CA -0.537 61.691 62.300 -0.121 0.000 1.056 294 V CB -0.321 31.444 31.823 -0.096 0.000 0.882 294 V HN 0.009 nan 8.190 nan 0.000 0.440 295 I N 2.420 122.757 120.570 -0.387 0.000 2.395 295 I HA 0.357 4.525 4.170 -0.003 0.000 0.289 295 I C -0.118 175.565 176.117 -0.723 0.000 1.023 295 I CA 0.002 60.910 61.300 -0.654 0.000 1.350 295 I CB 1.160 38.467 38.000 -1.156 0.000 1.409 295 I HN 0.124 nan 8.210 nan 0.000 0.507 296 D N 6.139 126.272 120.400 -0.445 0.000 2.336 296 D HA 0.017 4.655 4.640 -0.003 0.000 0.249 296 D C 0.365 176.508 176.300 -0.261 0.000 1.213 296 D CA -0.143 53.695 54.000 -0.272 0.000 0.870 296 D CB 0.597 41.329 40.800 -0.113 0.000 1.076 296 D HN 0.401 nan 8.370 nan 0.000 0.483 297 W N 3.096 124.400 121.300 0.007 0.000 2.825 297 W HA 0.023 4.682 4.660 -0.002 0.000 0.243 297 W C 1.773 178.307 176.519 0.025 0.000 1.293 297 W CA -0.259 57.088 57.345 0.004 0.000 1.403 297 W CB -0.084 29.369 29.460 -0.011 0.000 1.134 297 W HN 0.464 nan 8.180 nan 0.000 0.666 298 N N 0.340 119.144 118.700 0.174 0.000 2.258 298 N HA -0.078 4.660 4.740 -0.003 0.000 0.183 298 N C 1.649 177.206 175.510 0.078 0.000 1.029 298 N CA 0.802 53.922 53.050 0.116 0.000 0.857 298 N CB -0.145 38.386 38.487 0.073 0.000 1.008 298 N HN 0.014 nan 8.380 nan 0.000 0.433 299 K N 0.983 121.409 120.400 0.043 0.000 2.097 299 K HA -0.077 4.241 4.320 -0.003 0.000 0.206 299 K C 1.936 178.579 176.600 0.072 0.000 1.049 299 K CA 0.796 57.097 56.287 0.023 0.000 0.933 299 K CB -0.125 32.386 32.500 0.018 0.000 0.717 299 K HN 0.237 nan 8.250 nan 0.000 0.442 300 I N 1.028 121.685 120.570 0.144 0.000 2.493 300 I HA -0.225 3.943 4.170 -0.003 0.000 0.254 300 I C 1.631 178.012 176.117 0.440 0.000 1.160 300 I CA 0.770 62.267 61.300 0.329 0.000 1.445 300 I CB 0.116 38.205 38.000 0.147 0.000 1.086 300 I HN 0.171 nan 8.210 nan 0.000 0.433 301 M N 0.012 119.792 119.600 0.301 0.000 2.446 301 M HA -0.153 4.325 4.480 -0.003 0.000 0.263 301 M C 1.937 178.271 176.300 0.058 0.000 1.066 301 M CA 1.351 56.831 55.300 0.299 0.000 1.087 301 M CB -1.336 31.387 32.600 0.206 0.000 1.406 301 M HN 0.250 nan 8.290 nan 0.000 0.459 302 R N -0.842 119.585 120.500 -0.123 0.000 2.328 302 R HA -0.067 4.272 4.340 -0.003 0.000 0.207 302 R C 0.664 176.632 176.300 -0.554 0.000 1.056 302 R CA 0.699 56.563 56.100 -0.394 0.000 1.016 302 R CB -0.187 29.770 30.300 -0.571 0.000 0.872 302 R HN 0.282 nan 8.270 nan 0.000 0.471 303 F N 0.073 120.017 119.950 -0.010 0.000 2.639 303 F HA 0.196 4.721 4.527 -0.003 0.000 0.302 303 F C 0.748 176.333 175.800 -0.358 0.000 1.097 303 F CA -0.509 57.443 58.000 -0.081 0.000 1.294 303 F CB 0.155 39.187 39.000 0.053 0.000 1.027 303 F HN -0.097 nan 8.300 nan 0.000 0.550 304 Q N 1.332 120.870 119.800 -0.437 0.000 2.296 304 Q HA 0.244 4.582 4.340 -0.003 0.000 0.262 304 Q C 0.171 175.896 176.000 -0.458 0.000 0.981 304 Q CA -0.145 55.136 55.803 -0.870 0.000 0.905 304 Q CB 0.852 29.172 28.738 -0.697 0.000 1.186 304 Q HN 0.145 nan 8.270 nan 0.000 0.399 305 S N 2.507 117.936 115.700 -0.451 0.000 2.584 305 S HA -0.017 4.451 4.470 -0.003 0.000 0.270 305 S C 0.988 175.459 174.600 -0.215 0.000 1.346 305 S CA -0.216 57.820 58.200 -0.273 0.000 1.018 305 S CB 0.847 63.895 63.200 -0.254 0.000 0.899 305 S HN 0.758 nan 8.310 nan 0.000 0.542 306 K N 1.117 121.435 120.400 -0.136 0.000 2.283 306 K HA -0.140 4.178 4.320 -0.003 0.000 0.202 306 K C 0.749 177.317 176.600 -0.052 0.000 1.048 306 K CA 1.701 57.937 56.287 -0.085 0.000 0.948 306 K CB -0.261 32.205 32.500 -0.055 0.000 0.742 306 K HN 0.610 nan 8.250 nan 0.000 0.458 307 D N -0.192 120.172 120.400 -0.059 0.000 2.363 307 D HA 0.023 4.661 4.640 -0.003 0.000 0.226 307 D C 1.196 177.494 176.300 -0.003 0.000 1.020 307 D CA 0.794 54.804 54.000 0.016 0.000 0.892 307 D CB 0.263 41.117 40.800 0.090 0.000 0.900 307 D HN 0.484 nan 8.370 nan 0.000 0.531 308 G N -0.220 108.507 108.800 -0.122 0.000 2.195 308 G HA2 -0.246 3.712 3.960 -0.003 0.000 0.224 308 G HA3 -0.246 3.712 3.960 -0.003 0.000 0.224 308 G C 0.368 175.120 174.900 -0.247 0.000 0.990 308 G CA 0.319 45.364 45.100 -0.091 0.000 0.639 308 G HN 0.831 nan 8.290 nan 0.000 0.514 309 S N -0.465 114.872 115.700 -0.606 0.000 2.713 309 S HA 0.803 5.271 4.470 -0.003 0.000 0.283 309 S C -0.394 173.937 174.600 -0.449 0.000 1.161 309 S CA -0.749 57.004 58.200 -0.745 0.000 0.999 309 S CB 1.571 63.778 63.200 -1.655 0.000 1.039 309 S HN 0.448 nan 8.310 nan 0.000 0.548 310 F N 1.502 121.322 119.950 -0.217 0.000 2.332 310 F HA 0.502 5.027 4.527 -0.003 0.000 0.368 310 F C 0.325 176.098 175.800 -0.044 0.000 1.110 310 F CA -0.819 57.134 58.000 -0.079 0.000 1.087 310 F CB 1.286 40.272 39.000 -0.024 0.000 1.235 310 F HN 0.552 nan 8.300 nan 0.000 0.470 311 L N 2.988 124.248 121.223 0.063 0.000 4.179 311 L HA -0.403 3.935 4.340 -0.003 0.000 0.418 311 L C 0.967 177.968 176.870 0.219 0.000 1.168 311 L CA 1.336 56.254 54.840 0.130 0.000 0.972 311 L CB -2.045 40.115 42.059 0.169 0.000 2.005 311 L HN 0.847 nan 8.230 nan 0.000 0.935 312 S N -2.733 113.031 115.700 0.106 0.000 3.127 312 S HA -0.219 4.250 4.470 -0.003 0.000 0.281 312 S C 0.558 175.258 174.600 0.167 0.000 1.293 312 S CA 1.356 59.650 58.200 0.158 0.000 1.156 312 S CB -1.144 62.306 63.200 0.417 0.000 1.389 312 S HN 1.106 nan 8.310 nan 0.000 0.672 313 S N 1.610 117.390 115.700 0.133 0.000 2.439 313 S HA 0.458 4.926 4.470 -0.003 0.000 0.282 313 S C -1.174 173.509 174.600 0.138 0.000 1.170 313 S CA -1.732 56.538 58.200 0.116 0.000 1.054 313 S CB 1.037 64.302 63.200 0.109 0.000 0.956 313 S HN 0.009 nan 8.310 nan 0.000 0.490 314 P HA -0.065 nan 4.420 nan 0.000 0.215 314 P C 1.421 178.719 177.300 -0.003 0.000 1.153 314 P CA 1.431 64.595 63.100 0.106 0.000 0.853 314 P CB 0.030 31.696 31.700 -0.057 0.000 0.788 315 A N -0.359 122.429 122.820 -0.055 0.000 1.851 315 A HA -0.232 4.087 4.320 -0.003 0.000 0.216 315 A C 2.398 179.690 177.584 -0.486 0.000 1.195 315 A CA 2.623 54.505 52.037 -0.258 0.000 0.622 315 A CB -1.696 17.208 19.000 -0.160 0.000 0.831 315 A HN 0.134 nan 8.150 nan 0.000 0.444 316 S N -0.528 115.019 115.700 -0.254 0.000 2.387 316 S HA -0.155 4.313 4.470 -0.003 0.000 0.230 316 S C 2.002 176.462 174.600 -0.234 0.000 1.035 316 S CA 1.870 59.921 58.200 -0.248 0.000 1.014 316 S CB -0.640 62.533 63.200 -0.045 0.000 0.836 316 S HN 0.719 nan 8.310 nan 0.000 0.466 317 T N 2.076 116.596 114.554 -0.056 0.000 2.821 317 T HA 0.029 4.377 4.350 -0.003 0.000 0.267 317 T C 2.133 176.827 174.700 -0.009 0.000 1.046 317 T CA 1.110 63.250 62.100 0.066 0.000 1.139 317 T CB -0.411 68.593 68.868 0.227 0.000 0.871 317 T HN 0.473 nan 8.240 nan 0.000 0.454 318 A N 0.362 123.140 122.820 -0.070 0.000 1.930 318 A HA -0.110 4.208 4.320 -0.003 0.000 0.217 318 A C 2.680 180.156 177.584 -0.180 0.000 1.175 318 A CA 1.447 53.472 52.037 -0.019 0.000 0.627 318 A CB -1.337 17.722 19.000 0.099 0.000 0.815 318 A HN 0.637 nan 8.150 nan 0.000 0.443 319 C N -0.944 118.021 119.300 -0.560 0.000 2.440 319 C HA -0.022 4.436 4.460 -0.003 0.000 0.278 319 C C 2.712 177.472 174.990 -0.384 0.000 1.295 319 C CA 1.404 60.026 59.018 -0.659 0.000 1.738 319 C CB -1.187 26.016 27.740 -0.895 0.000 1.987 319 C HN 0.588 nan 8.230 nan 0.000 0.492 320 V N 1.028 120.734 119.914 -0.346 0.000 2.591 320 V HA -0.015 4.103 4.120 -0.003 0.000 0.249 320 V C 2.169 178.099 176.094 -0.273 0.000 1.053 320 V CA 2.124 64.205 62.300 -0.365 0.000 1.068 320 V CB -0.773 30.775 31.823 -0.458 0.000 0.689 320 V HN 0.576 nan 8.190 nan 0.000 0.462 321 L N 0.627 121.779 121.223 -0.117 0.000 2.042 321 L HA -0.139 4.200 4.340 -0.003 0.000 0.210 321 L C 2.407 179.239 176.870 -0.063 0.000 1.076 321 L CA 3.064 57.902 54.840 -0.003 0.000 0.749 321 L CB -0.743 41.398 42.059 0.136 0.000 0.893 321 L HN 0.525 nan 8.230 nan 0.000 0.432 322 M N -1.151 118.394 119.600 -0.092 0.000 2.296 322 M HA -0.140 4.338 4.480 -0.003 0.000 0.265 322 M C 1.080 177.243 176.300 -0.228 0.000 1.064 322 M CA 1.609 56.862 55.300 -0.078 0.000 1.109 322 M CB -0.168 32.455 32.600 0.039 0.000 1.396 322 M HN 0.354 nan 8.290 nan 0.000 0.430 323 N N -0.389 118.023 118.700 -0.481 0.000 2.280 323 N HA 0.050 4.789 4.740 -0.003 0.000 0.192 323 N C 1.014 176.139 175.510 -0.642 0.000 1.109 323 N CA 1.278 53.867 53.050 -0.768 0.000 0.855 323 N CB 0.647 38.117 38.487 -1.695 0.000 0.974 323 N HN 0.598 nan 8.380 nan 0.000 0.482 324 T N -5.425 108.904 114.554 -0.374 0.000 3.073 324 T HA 0.211 4.559 4.350 -0.003 0.000 0.264 324 T C 1.238 175.886 174.700 -0.087 0.000 0.893 324 T CA 0.690 62.674 62.100 -0.193 0.000 0.863 324 T CB 0.458 69.262 68.868 -0.107 0.000 1.247 324 T HN 0.053 nan 8.240 nan 0.000 0.546 325 G N 1.977 110.732 108.800 -0.075 0.000 2.179 325 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.257 325 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.257 325 G C -0.240 174.670 174.900 0.017 0.000 1.010 325 G CA 0.334 45.418 45.100 -0.028 0.000 0.736 325 G HN 0.905 nan 8.290 nan 0.000 0.513 326 D N -0.520 119.909 120.400 0.048 0.000 2.487 326 D HA 0.345 4.983 4.640 -0.003 0.000 0.243 326 D C 1.392 177.778 176.300 0.144 0.000 1.154 326 D CA 0.143 54.201 54.000 0.097 0.000 0.876 326 D CB 0.549 41.432 40.800 0.139 0.000 1.161 326 D HN 0.209 nan 8.370 nan 0.000 0.478 327 E N 2.813 123.086 120.200 0.123 0.000 2.150 327 E HA -0.119 4.229 4.350 -0.003 0.000 0.193 327 E C 1.314 178.056 176.600 0.237 0.000 0.985 327 E CA 1.245 57.740 56.400 0.158 0.000 0.814 327 E CB 0.218 29.974 29.700 0.094 0.000 0.752 327 E HN 0.475 nan 8.360 nan 0.000 0.466 328 K N -0.782 119.731 120.400 0.188 0.000 2.217 328 K HA -0.042 4.276 4.320 -0.003 0.000 0.202 328 K C 2.190 178.930 176.600 0.233 0.000 1.051 328 K CA 0.901 57.299 56.287 0.185 0.000 0.952 328 K CB -0.111 32.459 32.500 0.116 0.000 0.736 328 K HN 0.218 nan 8.250 nan 0.000 0.453 329 C N 0.517 119.974 119.300 0.260 0.000 2.436 329 C HA -0.133 4.325 4.460 -0.003 0.000 0.277 329 C C 2.357 177.549 174.990 0.338 0.000 1.241 329 C CA 0.422 59.621 59.018 0.301 0.000 1.721 329 C CB -0.841 27.064 27.740 0.275 0.000 2.043 329 C HN 0.478 nan 8.230 nan 0.000 0.472 330 F N 1.743 121.824 119.950 0.218 0.000 2.091 330 F HA -0.241 4.285 4.527 -0.003 0.000 0.299 330 F C 2.722 178.664 175.800 0.236 0.000 1.103 330 F CA 2.396 60.553 58.000 0.261 0.000 1.228 330 F CB -0.691 38.427 39.000 0.196 0.000 0.984 330 F HN 0.243 nan 8.300 nan 0.000 0.477 331 T N -0.506 114.181 114.554 0.222 0.000 2.867 331 T HA -0.258 4.090 4.350 -0.003 0.000 0.268 331 T C 1.916 176.624 174.700 0.013 0.000 1.057 331 T CA 1.586 63.729 62.100 0.072 0.000 1.136 331 T CB -0.934 68.059 68.868 0.208 0.000 0.874 331 T HN 0.432 nan 8.240 nan 0.000 0.466 332 F N 1.144 121.078 119.950 -0.026 0.000 2.075 332 F HA 0.028 4.554 4.527 -0.002 0.000 0.297 332 F C 1.957 177.676 175.800 -0.135 0.000 1.113 332 F CA 1.478 59.454 58.000 -0.039 0.000 1.218 332 F CB -0.224 38.783 39.000 0.012 0.000 0.984 332 F HN 0.133 nan 8.300 nan 0.000 0.472 333 L N 0.217 121.297 121.223 -0.238 0.000 2.027 333 L HA -0.251 4.087 4.340 -0.003 0.000 0.206 333 L C 2.471 178.909 176.870 -0.720 0.000 1.074 333 L CA 1.712 56.245 54.840 -0.512 0.000 0.745 333 L CB -1.029 40.823 42.059 -0.345 0.000 0.898 333 L HN 0.327 nan 8.230 nan 0.000 0.433 334 N N 0.303 118.578 118.700 -0.709 0.000 2.069 334 N HA -0.214 4.525 4.740 -0.003 0.000 0.191 334 N C 1.566 176.850 175.510 -0.377 0.000 1.031 334 N CA 1.547 54.236 53.050 -0.602 0.000 0.852 334 N CB 0.024 38.106 38.487 -0.675 0.000 1.018 334 N HN 0.323 nan 8.380 nan 0.000 0.423 335 N N 1.083 119.598 118.700 -0.308 0.000 2.223 335 N HA -0.123 4.616 4.740 -0.003 0.000 0.185 335 N C 1.653 177.013 175.510 -0.249 0.000 1.016 335 N CA 0.389 53.318 53.050 -0.203 0.000 0.863 335 N CB -0.489 37.927 38.487 -0.117 0.000 0.983 335 N HN 0.248 nan 8.380 nan 0.000 0.429 336 L N 0.988 121.957 121.223 -0.423 0.000 2.093 336 L HA 0.034 4.372 4.340 -0.003 0.000 0.208 336 L C 1.952 178.630 176.870 -0.321 0.000 1.085 336 L CA 1.142 55.714 54.840 -0.447 0.000 0.755 336 L CB -0.621 40.981 42.059 -0.762 0.000 0.904 336 L HN 0.115 nan 8.230 nan 0.000 0.435 337 L N -0.954 120.040 121.223 -0.382 0.000 2.017 337 L HA -0.230 4.109 4.340 -0.003 0.000 0.208 337 L C 2.272 179.059 176.870 -0.139 0.000 1.073 337 L CA 1.396 56.066 54.840 -0.284 0.000 0.745 337 L CB -0.819 41.019 42.059 -0.369 0.000 0.894 337 L HN 0.242 nan 8.230 nan 0.000 0.432 338 D N 0.169 120.488 120.400 -0.135 0.000 2.116 338 D HA -0.234 4.404 4.640 -0.003 0.000 0.193 338 D C 2.127 178.389 176.300 -0.063 0.000 0.998 338 D CA 1.348 55.304 54.000 -0.073 0.000 0.836 338 D CB -0.100 40.663 40.800 -0.062 0.000 0.951 338 D HN 0.166 nan 8.370 nan 0.000 0.449 339 K N -0.763 119.595 120.400 -0.070 0.000 2.103 339 K HA -0.092 4.226 4.320 -0.003 0.000 0.207 339 K C 1.646 178.140 176.600 -0.177 0.000 1.048 339 K CA 0.922 57.151 56.287 -0.097 0.000 0.930 339 K CB -0.131 32.326 32.500 -0.071 0.000 0.716 339 K HN 0.119 nan 8.250 nan 0.000 0.444 340 F N -0.441 119.367 119.950 -0.237 0.000 2.727 340 F HA 0.199 4.725 4.527 -0.003 0.000 0.302 340 F C 1.060 176.783 175.800 -0.129 0.000 1.097 340 F CA 0.351 58.222 58.000 -0.214 0.000 1.330 340 F CB 1.121 39.938 39.000 -0.305 0.000 1.084 340 F HN 0.204 nan 8.300 nan 0.000 0.578 341 G N 0.567 109.378 108.800 0.019 0.000 2.225 341 G HA2 -0.011 3.947 3.960 -0.003 0.000 0.264 341 G HA3 -0.011 3.947 3.960 -0.003 0.000 0.264 341 G C 0.976 175.914 174.900 0.063 0.000 1.060 341 G CA 0.060 45.176 45.100 0.027 0.000 0.833 341 G HN 1.052 nan 8.290 nan 0.000 0.498 342 G N -2.808 106.006 108.800 0.024 0.000 2.255 342 G HA2 0.130 4.088 3.960 -0.003 0.000 0.196 342 G HA3 0.130 4.088 3.960 -0.003 0.000 0.196 342 G C 1.147 176.017 174.900 -0.050 0.000 0.998 342 G CA 1.117 46.239 45.100 0.038 0.000 0.656 342 G HN 2.300 nan 8.290 nan 0.000 0.490 343 C N -0.486 118.710 119.300 -0.174 0.000 3.119 343 C HA 1.009 5.468 4.460 -0.003 0.000 0.359 343 C C 0.300 174.993 174.990 -0.495 0.000 1.486 343 C CA -0.629 58.097 59.018 -0.486 0.000 1.556 343 C CB 1.454 28.610 27.740 -0.973 0.000 2.063 343 C HN 1.588 nan 8.230 nan 0.000 0.454 344 V N -3.478 116.043 119.914 -0.655 0.000 3.007 344 V HA 0.901 5.020 4.120 -0.003 0.000 0.311 344 V C -3.011 172.612 176.094 -0.785 0.000 1.120 344 V CA -1.703 60.130 62.300 -0.779 0.000 0.980 344 V CB 1.418 32.897 31.823 -0.574 0.000 1.033 344 V HN 0.868 nan 8.190 nan 0.000 0.429 345 P HA 0.417 nan 4.420 nan 0.000 0.321 345 P C 0.604 177.684 177.300 -0.366 0.000 1.304 345 P CA -0.342 62.391 63.100 -0.611 0.000 0.759 345 P CB 1.101 32.386 31.700 -0.691 0.000 1.385 346 C N -0.558 118.557 119.300 -0.308 0.000 2.464 346 C HA 0.287 4.746 4.460 -0.003 0.000 0.278 346 C C 0.874 175.673 174.990 -0.317 0.000 1.375 346 C CA 0.568 59.407 59.018 -0.299 0.000 1.761 346 C CB -1.631 25.807 27.740 -0.503 0.000 1.944 346 C HN 0.516 nan 8.230 nan 0.000 0.509 347 M N -2.230 117.170 119.600 -0.332 0.000 2.694 347 M HA 0.546 5.024 4.480 -0.003 0.000 0.276 347 M C -1.697 174.600 176.300 -0.006 0.000 1.167 347 M CA -0.754 54.403 55.300 -0.238 0.000 0.849 347 M CB 1.710 33.945 32.600 -0.608 0.000 1.705 347 M HN 0.072 nan 8.290 nan 0.000 0.504 348 Y N -0.003 120.266 120.300 -0.051 0.000 2.643 348 Y HA 0.409 4.957 4.550 -0.003 0.000 0.347 348 Y C -0.685 175.356 175.900 0.236 0.000 1.208 348 Y CA -0.198 57.935 58.100 0.055 0.000 1.245 348 Y CB 1.580 40.041 38.460 0.001 0.000 1.369 348 Y HN 1.097 nan 8.280 nan 0.000 0.487 349 S N 2.980 118.706 115.700 0.042 0.000 2.645 349 S HA 0.586 5.054 4.470 -0.003 0.000 0.266 349 S C 0.066 174.484 174.600 -0.303 0.000 1.258 349 S CA -0.106 57.738 58.200 -0.593 0.000 0.990 349 S CB 1.005 63.937 63.200 -0.446 0.000 0.967 349 S HN 0.761 nan 8.310 nan 0.000 0.556 350 I N -1.878 118.443 120.570 -0.415 0.000 3.326 350 I HA 0.352 4.520 4.170 -0.003 0.000 0.336 350 I C 0.505 176.550 176.117 -0.120 0.000 1.543 350 I CA -0.608 60.600 61.300 -0.153 0.000 1.013 350 I CB 0.270 38.159 38.000 -0.186 0.000 1.468 350 I HN 0.634 nan 8.210 nan 0.000 0.515 351 D N 1.657 121.980 120.400 -0.129 0.000 2.264 351 D HA -0.151 4.487 4.640 -0.003 0.000 0.208 351 D C 1.633 177.910 176.300 -0.039 0.000 0.966 351 D CA 0.962 54.892 54.000 -0.117 0.000 0.864 351 D CB 0.130 40.885 40.800 -0.075 0.000 0.933 351 D HN 0.546 nan 8.370 nan 0.000 0.499 352 L N -0.512 120.730 121.223 0.031 0.000 2.130 352 L HA 0.019 4.357 4.340 -0.003 0.000 0.200 352 L C 2.523 179.435 176.870 0.070 0.000 1.075 352 L CA 0.132 55.022 54.840 0.084 0.000 0.768 352 L CB -0.496 41.619 42.059 0.093 0.000 0.933 352 L HN 0.007 nan 8.230 nan 0.000 0.451 353 L N 0.646 121.921 121.223 0.086 0.000 2.013 353 L HA -0.261 4.077 4.340 -0.003 0.000 0.212 353 L C 2.459 179.338 176.870 0.014 0.000 1.073 353 L CA 1.998 56.888 54.840 0.083 0.000 0.753 353 L CB -0.602 41.537 42.059 0.133 0.000 0.890 353 L HN 0.307 nan 8.230 nan 0.000 0.432 354 E N -0.814 119.363 120.200 -0.038 0.000 2.051 354 E HA -0.256 4.092 4.350 -0.003 0.000 0.192 354 E C 2.348 178.897 176.600 -0.084 0.000 0.991 354 E CA 1.215 57.566 56.400 -0.082 0.000 0.799 354 E CB -0.068 29.560 29.700 -0.119 0.000 0.748 354 E HN 0.493 nan 8.360 nan 0.000 0.449 355 R N 0.093 120.544 120.500 -0.082 0.000 2.073 355 R HA -0.109 4.229 4.340 -0.003 0.000 0.234 355 R C 2.632 178.926 176.300 -0.009 0.000 1.134 355 R CA 1.358 57.417 56.100 -0.067 0.000 0.952 355 R CB -0.334 29.925 30.300 -0.068 0.000 0.850 355 R HN 0.250 nan 8.270 nan 0.000 0.433 356 L N 0.061 121.294 121.223 0.017 0.000 2.012 356 L HA -0.210 4.128 4.340 -0.003 0.000 0.210 356 L C 2.420 179.316 176.870 0.044 0.000 1.073 356 L CA 1.336 56.196 54.840 0.033 0.000 0.748 356 L CB -0.360 41.732 42.059 0.056 0.000 0.891 356 L HN 0.188 nan 8.230 nan 0.000 0.431 357 S N -0.139 115.588 115.700 0.045 0.000 2.368 357 S HA -0.159 4.309 4.470 -0.003 0.000 0.224 357 S C 1.791 176.437 174.600 0.077 0.000 1.029 357 S CA 1.111 59.357 58.200 0.077 0.000 0.988 357 S CB -0.311 62.937 63.200 0.080 0.000 0.838 357 S HN 0.240 nan 8.310 nan 0.000 0.462 358 L N 2.050 123.277 121.223 0.007 0.000 2.017 358 L HA -0.034 4.305 4.340 -0.003 0.000 0.208 358 L C 2.206 179.091 176.870 0.025 0.000 1.073 358 L CA 1.614 56.422 54.840 -0.052 0.000 0.745 358 L CB -0.849 41.052 42.059 -0.264 0.000 0.894 358 L HN 0.118 nan 8.230 nan 0.000 0.432 359 V N 0.101 120.064 119.914 0.081 0.000 2.287 359 V HA -0.341 3.777 4.120 -0.003 0.000 0.248 359 V C 2.394 178.579 176.094 0.152 0.000 1.053 359 V CA 2.131 64.530 62.300 0.165 0.000 1.027 359 V CB -0.793 31.087 31.823 0.094 0.000 0.646 359 V HN 0.605 nan 8.190 nan 0.000 0.447 360 D N 0.028 120.498 120.400 0.117 0.000 2.097 360 D HA -0.179 4.459 4.640 -0.003 0.000 0.195 360 D C 1.955 178.340 176.300 0.142 0.000 0.989 360 D CA 1.509 55.576 54.000 0.112 0.000 0.827 360 D CB -0.192 40.658 40.800 0.084 0.000 0.966 360 D HN 0.352 nan 8.370 nan 0.000 0.456 361 N N -0.060 118.746 118.700 0.176 0.000 2.120 361 N HA -0.115 4.623 4.740 -0.003 0.000 0.188 361 N C 2.031 177.647 175.510 0.177 0.000 1.024 361 N CA 0.649 53.843 53.050 0.240 0.000 0.852 361 N CB -0.283 38.386 38.487 0.305 0.000 1.003 361 N HN 0.356 nan 8.380 nan 0.000 0.424 362 I N 1.606 122.262 120.570 0.143 0.000 2.202 362 I HA -0.208 3.961 4.170 -0.003 0.000 0.242 362 I C 2.161 178.412 176.117 0.224 0.000 1.091 362 I CA 1.017 62.413 61.300 0.160 0.000 1.368 362 I CB -0.090 38.005 38.000 0.158 0.000 1.058 362 I HN 0.078 nan 8.210 nan 0.000 0.410 363 E N -0.117 120.221 120.200 0.229 0.000 2.049 363 E HA -0.328 4.021 4.350 -0.003 0.000 0.198 363 E C 2.072 178.791 176.600 0.198 0.000 1.007 363 E CA 1.789 58.324 56.400 0.224 0.000 0.809 363 E CB -0.680 29.147 29.700 0.213 0.000 0.749 363 E HN 0.654 nan 8.360 nan 0.000 0.450 364 H N 0.275 119.353 119.070 0.013 0.000 2.352 364 H HA -0.031 4.523 4.556 -0.003 0.000 0.299 364 H C 2.274 177.617 175.328 0.025 0.000 1.097 364 H CA 0.833 56.794 56.048 -0.144 0.000 1.311 364 H CB 0.051 29.455 29.762 -0.597 0.000 1.377 364 H HN 0.031 nan 8.280 nan 0.000 0.504 365 L N -0.569 120.824 121.223 0.282 0.000 2.456 365 L HA -0.025 4.313 4.340 -0.003 0.000 0.224 365 L C 1.526 178.513 176.870 0.194 0.000 1.148 365 L CA 0.696 55.673 54.840 0.229 0.000 0.825 365 L CB 0.155 42.256 42.059 0.069 0.000 0.937 365 L HN 0.676 nan 8.230 nan 0.000 0.450 366 G N 0.825 109.750 108.800 0.207 0.000 2.130 366 G HA2 -0.263 3.696 3.960 -0.003 0.000 0.216 366 G HA3 -0.263 3.696 3.960 -0.003 0.000 0.216 366 G C 0.533 175.579 174.900 0.244 0.000 0.999 366 G CA 0.249 45.464 45.100 0.192 0.000 0.686 366 G HN 0.520 nan 8.290 nan 0.000 0.515 367 I N -3.000 117.734 120.570 0.274 0.000 3.817 367 I HA 0.518 4.686 4.170 -0.003 0.000 0.325 367 I C 1.623 177.940 176.117 0.334 0.000 1.550 367 I CA 0.180 61.666 61.300 0.310 0.000 1.100 367 I CB 0.250 38.518 38.000 0.448 0.000 1.216 367 I HN 0.021 nan 8.210 nan 0.000 0.481 368 G N 2.509 111.487 108.800 0.295 0.000 2.471 368 G HA2 -0.217 3.742 3.960 -0.003 0.000 0.219 368 G HA3 -0.217 3.742 3.960 -0.003 0.000 0.219 368 G C 1.752 176.771 174.900 0.198 0.000 1.125 368 G CA 0.801 46.100 45.100 0.332 0.000 0.775 368 G HN 0.632 nan 8.290 nan 0.000 0.548 369 R N -0.347 120.154 120.500 0.002 0.000 2.189 369 R HA -0.034 4.305 4.340 -0.003 0.000 0.223 369 R C 1.624 177.784 176.300 -0.234 0.000 1.092 369 R CA 1.240 57.263 56.100 -0.129 0.000 0.989 369 R CB -0.629 29.540 30.300 -0.218 0.000 0.876 369 R HN 0.326 nan 8.270 nan 0.000 0.457 370 H N -0.202 118.741 119.070 -0.211 0.000 2.547 370 H HA 0.038 4.593 4.556 -0.003 0.000 0.272 370 H C 0.036 174.877 175.328 -0.813 0.000 0.989 370 H CA 0.614 56.306 56.048 -0.593 0.000 1.214 370 H CB 0.141 29.360 29.762 -0.906 0.000 1.389 370 H HN 0.277 nan 8.280 nan 0.000 0.577 371 F N -0.117 119.871 119.950 0.063 0.000 2.841 371 F HA 0.300 4.826 4.527 -0.003 0.000 0.358 371 F C 1.411 177.127 175.800 -0.140 0.000 1.261 371 F CA -0.580 57.365 58.000 -0.092 0.000 1.233 371 F CB 0.464 39.353 39.000 -0.185 0.000 1.008 371 F HN -0.179 nan 8.300 nan 0.000 0.507 372 K N -0.097 120.326 120.400 0.038 0.000 2.063 372 K HA -0.228 4.090 4.320 -0.003 0.000 0.208 372 K C 1.932 178.532 176.600 -0.001 0.000 1.048 372 K CA 1.469 57.780 56.287 0.039 0.000 0.928 372 K CB 0.001 32.520 32.500 0.031 0.000 0.713 372 K HN 0.180 nan 8.250 nan 0.000 0.442 373 Q N 1.034 120.820 119.800 -0.023 0.000 2.096 373 Q HA -0.107 4.232 4.340 -0.003 0.000 0.197 373 Q C 1.564 177.520 176.000 -0.073 0.000 0.964 373 Q CA 1.504 57.291 55.803 -0.028 0.000 0.838 373 Q CB 0.178 28.907 28.738 -0.013 0.000 0.906 373 Q HN 0.196 nan 8.270 nan 0.000 0.444 374 E N -0.082 120.015 120.200 -0.172 0.000 2.077 374 E HA -0.115 4.233 4.350 -0.003 0.000 0.193 374 E C 1.842 178.199 176.600 -0.404 0.000 0.989 374 E CA 1.051 57.236 56.400 -0.359 0.000 0.800 374 E CB -0.226 29.014 29.700 -0.766 0.000 0.746 374 E HN 0.367 nan 8.360 nan 0.000 0.452 375 I N 0.813 121.142 120.570 -0.403 0.000 2.226 375 I HA -0.305 3.863 4.170 -0.003 0.000 0.245 375 I C 2.394 178.471 176.117 -0.067 0.000 1.100 375 I CA 1.188 62.380 61.300 -0.181 0.000 1.374 375 I CB -0.171 37.770 38.000 -0.098 0.000 1.057 375 I HN 0.068 nan 8.210 nan 0.000 0.413 376 K N 1.019 121.400 120.400 -0.031 0.000 2.057 376 K HA -0.155 4.164 4.320 -0.003 0.000 0.207 376 K C 2.126 178.778 176.600 0.087 0.000 1.049 376 K CA 1.574 57.891 56.287 0.050 0.000 0.931 376 K CB -0.370 32.159 32.500 0.049 0.000 0.714 376 K HN 0.369 nan 8.250 nan 0.000 0.440 377 G N 0.426 109.263 108.800 0.061 0.000 2.446 377 G HA2 -0.275 3.683 3.960 -0.003 0.000 0.217 377 G HA3 -0.275 3.683 3.960 -0.003 0.000 0.217 377 G C 1.569 176.553 174.900 0.140 0.000 1.168 377 G CA 0.951 46.112 45.100 0.103 0.000 0.771 377 G HN 0.444 nan 8.290 nan 0.000 0.551 378 A N 0.302 123.196 122.820 0.123 0.000 1.930 378 A HA 0.161 4.479 4.320 -0.003 0.000 0.217 378 A C 2.419 180.071 177.584 0.114 0.000 1.175 378 A CA 1.164 53.276 52.037 0.124 0.000 0.627 378 A CB -0.301 18.814 19.000 0.192 0.000 0.815 378 A HN 0.359 nan 8.150 nan 0.000 0.443 379 L N -0.909 120.345 121.223 0.052 0.000 2.179 379 L HA -0.092 4.247 4.340 -0.003 0.000 0.208 379 L C 1.933 178.770 176.870 -0.054 0.000 1.096 379 L CA 0.902 55.694 54.840 -0.081 0.000 0.779 379 L CB -0.584 41.352 42.059 -0.204 0.000 0.922 379 L HN 0.257 nan 8.230 nan 0.000 0.443 380 D N -0.345 120.145 120.400 0.150 0.000 2.123 380 D HA -0.250 4.389 4.640 -0.003 0.000 0.196 380 D C 1.854 178.307 176.300 0.254 0.000 0.992 380 D CA 1.367 55.516 54.000 0.248 0.000 0.833 380 D CB -0.165 40.779 40.800 0.240 0.000 0.954 380 D HN 0.268 nan 8.370 nan 0.000 0.455 381 Y N 1.653 122.031 120.300 0.130 0.000 2.070 381 Y HA -0.251 4.297 4.550 -0.003 0.000 0.280 381 Y C 2.267 178.311 175.900 0.240 0.000 1.148 381 Y CA 1.312 59.515 58.100 0.171 0.000 1.125 381 Y CB -0.579 37.962 38.460 0.135 0.000 0.975 381 Y HN -0.196 nan 8.280 nan 0.000 0.492 382 V N -0.224 119.978 119.914 0.479 0.000 2.287 382 V HA -0.344 3.774 4.120 -0.003 0.000 0.248 382 V C 2.134 178.405 176.094 0.296 0.000 1.053 382 V CA 2.291 64.809 62.300 0.364 0.000 1.027 382 V CB -1.255 30.698 31.823 0.218 0.000 0.646 382 V HN 0.563 nan 8.190 nan 0.000 0.447 383 Y N 1.220 121.521 120.300 0.001 0.000 2.139 383 Y HA -0.282 4.266 4.550 -0.003 0.000 0.282 383 Y C 2.720 178.670 175.900 0.082 0.000 1.179 383 Y CA 1.802 59.889 58.100 -0.023 0.000 1.161 383 Y CB -0.485 37.886 38.460 -0.149 0.000 0.970 383 Y HN 0.131 nan 8.280 nan 0.000 0.511 384 R N -1.291 119.224 120.500 0.024 0.000 2.139 384 R HA -0.222 4.116 4.340 -0.003 0.000 0.243 384 R C 1.214 177.310 176.300 -0.340 0.000 1.145 384 R CA 1.926 57.898 56.100 -0.213 0.000 0.976 384 R CB -0.430 29.682 30.300 -0.313 0.000 0.866 384 R HN 0.545 nan 8.270 nan 0.000 0.449 385 H N -2.579 116.448 119.070 -0.072 0.000 2.586 385 H HA 0.051 4.605 4.556 -0.003 0.000 0.273 385 H C -0.135 175.189 175.328 -0.007 0.000 0.997 385 H CA -0.449 55.561 56.048 -0.064 0.000 1.177 385 H CB 0.177 29.898 29.762 -0.068 0.000 1.471 385 H HN 0.214 nan 8.280 nan 0.000 0.538 386 W N 2.974 124.234 121.300 -0.067 0.000 2.238 386 W HA 0.332 4.991 4.660 -0.002 0.000 0.321 386 W C -0.252 176.200 176.519 -0.112 0.000 1.293 386 W CA 0.240 57.544 57.345 -0.068 0.000 1.204 386 W CB 0.946 30.375 29.460 -0.052 0.000 1.167 386 W HN 0.140 nan 8.180 nan 0.000 0.553 387 S N 2.432 117.678 115.700 -0.756 0.000 2.596 387 S HA 0.170 4.639 4.470 -0.003 0.000 0.270 387 S C 0.544 174.798 174.600 -0.577 0.000 1.155 387 S CA -0.477 57.441 58.200 -0.470 0.000 0.827 387 S CB 1.446 64.487 63.200 -0.265 0.000 1.130 387 S HN 0.649 nan 8.310 nan 0.000 0.467 388 E N 0.678 120.723 120.200 -0.259 0.000 2.273 388 E HA -0.158 4.190 4.350 -0.003 0.000 0.198 388 E C 1.127 177.592 176.600 -0.225 0.000 1.002 388 E CA 0.619 56.919 56.400 -0.167 0.000 0.828 388 E CB -0.239 29.419 29.700 -0.070 0.000 0.747 388 E HN 0.421 nan 8.360 nan 0.000 0.491 389 R N 1.148 121.487 120.500 -0.268 0.000 2.319 389 R HA 0.148 4.486 4.340 -0.003 0.000 0.204 389 R C 0.740 176.855 176.300 -0.309 0.000 0.954 389 R CA 0.807 56.753 56.100 -0.256 0.000 1.066 389 R CB 0.034 30.207 30.300 -0.213 0.000 0.991 389 R HN 0.331 nan 8.270 nan 0.000 0.486 390 G N 1.441 109.997 108.800 -0.406 0.000 2.795 390 G HA2 -0.250 3.709 3.960 -0.003 0.000 0.664 390 G HA3 -0.250 3.709 3.960 -0.003 0.000 0.664 390 G C -0.281 174.405 174.900 -0.357 0.000 1.381 390 G CA -0.262 44.616 45.100 -0.370 0.000 0.853 390 G HN 0.301 nan 8.290 nan 0.000 0.545 391 I N -1.961 118.462 120.570 -0.246 0.000 2.892 391 I HA 0.929 5.097 4.170 -0.003 0.000 0.306 391 I C 0.725 176.765 176.117 -0.127 0.000 1.078 391 I CA -0.716 60.478 61.300 -0.177 0.000 1.032 391 I CB 1.924 39.849 38.000 -0.125 0.000 1.229 391 I HN 1.166 nan 8.210 nan 0.000 0.435 392 G N 1.680 110.372 108.800 -0.180 0.000 2.642 392 G HA2 0.344 4.302 3.960 -0.003 0.000 0.291 392 G HA3 0.344 4.302 3.960 -0.003 0.000 0.291 392 G C -0.266 174.510 174.900 -0.206 0.000 1.345 392 G CA -0.441 44.449 45.100 -0.350 0.000 1.043 392 G HN 0.966 nan 8.290 nan 0.000 0.528 393 W N -0.788 120.503 121.300 -0.016 0.000 2.402 393 W HA 0.339 4.998 4.660 -0.003 0.000 0.286 393 W C 0.854 177.335 176.519 -0.063 0.000 1.221 393 W CA -0.017 57.306 57.345 -0.035 0.000 1.257 393 W CB -0.709 28.724 29.460 -0.045 0.000 1.120 393 W HN 0.558 nan 8.180 nan 0.000 0.551 394 G N 0.312 109.231 108.800 0.198 0.000 2.537 394 G HA2 0.431 4.389 3.960 -0.003 0.000 0.308 394 G HA3 0.431 4.389 3.960 -0.003 0.000 0.308 394 G C 0.600 175.491 174.900 -0.014 0.000 1.237 394 G CA -0.817 44.328 45.100 0.075 0.000 0.968 394 G HN 0.155 nan 8.290 nan 0.000 0.481 395 R N -0.646 119.812 120.500 -0.071 0.000 2.241 395 R HA 0.014 4.353 4.340 -0.003 0.000 0.224 395 R C 0.150 176.435 176.300 -0.025 0.000 1.101 395 R CA 1.374 57.407 56.100 -0.112 0.000 0.995 395 R CB 0.168 30.287 30.300 -0.302 0.000 0.870 395 R HN 0.311 nan 8.270 nan 0.000 0.463 396 D N 0.647 121.039 120.400 -0.014 0.000 2.369 396 D HA 0.100 4.738 4.640 -0.003 0.000 0.211 396 D C -0.299 175.969 176.300 -0.053 0.000 1.077 396 D CA 0.148 54.139 54.000 -0.016 0.000 0.842 396 D CB 0.502 41.309 40.800 0.011 0.000 0.947 396 D HN 0.052 nan 8.370 nan 0.000 0.509 397 S N 1.462 117.124 115.700 -0.063 0.000 2.575 397 S HA -0.069 4.399 4.470 -0.003 0.000 0.295 397 S C 1.318 175.841 174.600 -0.128 0.000 1.267 397 S CA -0.278 57.852 58.200 -0.116 0.000 1.074 397 S CB 0.977 64.047 63.200 -0.217 0.000 0.829 397 S HN 0.158 nan 8.310 nan 0.000 0.497 398 L N 6.383 127.529 121.223 -0.128 0.000 2.027 398 L HA 0.077 4.416 4.340 -0.003 0.000 0.206 398 L C 0.469 177.271 176.870 -0.114 0.000 1.074 398 L CA 1.703 56.473 54.840 -0.116 0.000 0.745 398 L CB -0.100 41.893 42.059 -0.110 0.000 0.898 398 L HN 0.502 nan 8.230 nan 0.000 0.433 399 V N 1.961 121.801 119.914 -0.124 0.000 2.383 399 V HA 0.357 4.475 4.120 -0.003 0.000 0.275 399 V C -2.064 173.921 176.094 -0.182 0.000 1.036 399 V CA -1.567 60.662 62.300 -0.119 0.000 0.889 399 V CB 0.549 32.320 31.823 -0.086 0.000 0.985 399 V HN 0.196 nan 8.190 nan 0.000 0.459 400 P HA 0.333 nan 4.420 nan 0.000 0.276 400 P C -1.160 176.166 177.300 0.044 0.000 1.261 400 P CA -0.340 62.714 63.100 -0.076 0.000 0.800 400 P CB 0.700 32.395 31.700 -0.008 0.000 1.066 401 D N 0.306 120.689 120.400 -0.029 0.000 2.601 401 D HA 0.098 4.737 4.640 -0.003 0.000 0.230 401 D C 0.482 176.455 176.300 -0.545 0.000 1.106 401 D CA -0.590 53.325 54.000 -0.141 0.000 0.873 401 D CB 1.528 42.129 40.800 -0.331 0.000 1.515 401 D HN 0.115 nan 8.370 nan 0.000 0.468 402 L N 2.277 122.884 121.223 -1.026 0.000 2.046 402 L HA -0.111 4.227 4.340 -0.003 0.000 0.208 402 L C 1.832 178.389 176.870 -0.522 0.000 1.077 402 L CA 1.832 55.886 54.840 -1.310 0.000 0.747 402 L CB -1.065 40.402 42.059 -0.987 0.000 0.896 402 L HN 0.668 nan 8.230 nan 0.000 0.432 403 N N -1.239 117.306 118.700 -0.258 0.000 2.043 403 N HA -0.216 4.523 4.740 -0.003 0.000 0.193 403 N C 1.481 176.972 175.510 -0.032 0.000 1.037 403 N CA 2.283 55.290 53.050 -0.072 0.000 0.851 403 N CB -0.005 38.521 38.487 0.065 0.000 1.027 403 N HN 0.475 nan 8.380 nan 0.000 0.422 404 T N -0.373 114.169 114.554 -0.019 0.000 2.821 404 T HA -0.045 4.303 4.350 -0.003 0.000 0.267 404 T C 1.833 176.566 174.700 0.055 0.000 1.046 404 T CA 1.505 63.630 62.100 0.042 0.000 1.139 404 T CB -0.445 68.456 68.868 0.053 0.000 0.871 404 T HN 0.324 nan 8.240 nan 0.000 0.454 405 T N 1.973 116.512 114.554 -0.024 0.000 2.812 405 T HA 0.084 4.432 4.350 -0.003 0.000 0.264 405 T C 2.472 177.258 174.700 0.143 0.000 1.042 405 T CA 1.004 63.153 62.100 0.081 0.000 1.140 405 T CB -0.470 68.425 68.868 0.045 0.000 0.870 405 T HN 0.425 nan 8.240 nan 0.000 0.445 406 A N 1.133 123.943 122.820 -0.017 0.000 1.930 406 A HA 0.078 4.396 4.320 -0.003 0.000 0.217 406 A C 2.303 179.885 177.584 -0.003 0.000 1.175 406 A CA 0.989 53.012 52.037 -0.025 0.000 0.627 406 A CB -0.798 18.142 19.000 -0.101 0.000 0.815 406 A HN 0.439 nan 8.150 nan 0.000 0.443 407 L N -0.835 120.400 121.223 0.020 0.000 2.056 407 L HA -0.130 4.208 4.340 -0.003 0.000 0.207 407 L C 2.819 179.702 176.870 0.023 0.000 1.078 407 L CA 1.170 56.023 54.840 0.022 0.000 0.749 407 L CB -0.819 41.271 42.059 0.052 0.000 0.901 407 L HN 0.517 nan 8.230 nan 0.000 0.433 408 G N 0.164 109.034 108.800 0.117 0.000 2.480 408 G HA2 -0.331 3.627 3.960 -0.003 0.000 0.216 408 G HA3 -0.331 3.627 3.960 -0.003 0.000 0.216 408 G C 1.516 176.308 174.900 -0.179 0.000 1.200 408 G CA 0.953 46.123 45.100 0.117 0.000 0.782 408 G HN 0.235 nan 8.290 nan 0.000 0.554 409 L N 0.650 121.838 121.223 -0.058 0.000 1.971 409 L HA -0.057 4.282 4.340 -0.003 0.000 0.215 409 L C 2.800 179.511 176.870 -0.264 0.000 1.072 409 L CA 2.595 57.315 54.840 -0.200 0.000 0.758 409 L CB -0.702 41.363 42.059 0.010 0.000 0.889 409 L HN 0.270 nan 8.230 nan 0.000 0.433 410 R N -1.354 119.025 120.500 -0.201 0.000 2.082 410 R HA -0.170 4.168 4.340 -0.003 0.000 0.234 410 R C 2.084 178.246 176.300 -0.230 0.000 1.136 410 R CA 2.317 58.266 56.100 -0.251 0.000 0.935 410 R CB -0.581 29.593 30.300 -0.209 0.000 0.842 410 R HN 0.471 nan 8.270 nan 0.000 0.430 411 T N 1.761 116.231 114.554 -0.140 0.000 2.708 411 T HA -0.123 4.225 4.350 -0.003 0.000 0.266 411 T C 1.903 176.596 174.700 -0.013 0.000 1.037 411 T CA 1.500 63.581 62.100 -0.032 0.000 1.146 411 T CB -0.219 68.639 68.868 -0.016 0.000 0.865 411 T HN 0.164 nan 8.240 nan 0.000 0.435 412 L N 0.497 121.600 121.223 -0.201 0.000 2.012 412 L HA -0.100 4.238 4.340 -0.003 0.000 0.210 412 L C 2.887 179.671 176.870 -0.145 0.000 1.073 412 L CA 1.527 56.199 54.840 -0.279 0.000 0.748 412 L CB -0.520 41.194 42.059 -0.574 0.000 0.891 412 L HN 0.159 nan 8.230 nan 0.000 0.431 413 R N 0.235 120.547 120.500 -0.312 0.000 2.096 413 R HA -0.222 4.116 4.340 -0.003 0.000 0.235 413 R C 2.298 178.173 176.300 -0.708 0.000 1.127 413 R CA 1.746 57.573 56.100 -0.455 0.000 0.968 413 R CB -0.222 29.771 30.300 -0.512 0.000 0.861 413 R HN 0.191 nan 8.270 nan 0.000 0.440 414 M N -0.160 119.146 119.600 -0.491 0.000 2.446 414 M HA -0.104 4.374 4.480 -0.003 0.000 0.263 414 M C 0.397 176.567 176.300 -0.215 0.000 1.066 414 M CA 1.799 56.867 55.300 -0.385 0.000 1.087 414 M CB 0.165 32.630 32.600 -0.224 0.000 1.406 414 M HN 0.205 nan 8.290 nan 0.000 0.459 415 H N -1.096 117.951 119.070 -0.039 0.000 2.505 415 H HA 0.476 5.030 4.556 -0.003 0.000 0.286 415 H C 1.140 176.424 175.328 -0.073 0.000 1.072 415 H CA 0.482 56.573 56.048 0.072 0.000 1.141 415 H CB 0.254 30.132 29.762 0.194 0.000 1.550 415 H HN 0.483 nan 8.280 nan 0.000 0.547 416 G N -0.426 108.325 108.800 -0.081 0.000 2.213 416 G HA2 -0.301 3.658 3.960 -0.003 0.000 0.236 416 G HA3 -0.301 3.658 3.960 -0.003 0.000 0.236 416 G C -0.164 174.554 174.900 -0.303 0.000 0.991 416 G CA -0.422 44.569 45.100 -0.183 0.000 0.629 416 G HN 0.334 nan 8.290 nan 0.000 0.517 417 Y N 0.908 121.028 120.300 -0.300 0.000 2.480 417 Y HA 0.428 4.976 4.550 -0.003 0.000 0.338 417 Y C 0.919 176.626 175.900 -0.321 0.000 1.220 417 Y CA 0.018 57.833 58.100 -0.475 0.000 1.430 417 Y CB 0.499 38.465 38.460 -0.823 0.000 1.311 417 Y HN 0.159 nan 8.280 nan 0.000 0.575 418 N N 2.636 121.298 118.700 -0.064 0.000 2.406 418 N HA 0.356 5.094 4.740 -0.003 0.000 0.251 418 N C -1.599 173.974 175.510 0.105 0.000 1.069 418 N CA -0.323 52.766 53.050 0.064 0.000 0.947 418 N CB 0.400 38.961 38.487 0.123 0.000 1.111 418 N HN 0.475 nan 8.380 nan 0.000 0.497 419 V N 0.591 120.518 119.914 0.021 0.000 2.841 419 V HA 0.643 4.762 4.120 -0.003 0.000 0.310 419 V C -0.100 176.037 176.094 0.072 0.000 1.090 419 V CA -1.070 61.221 62.300 -0.014 0.000 0.930 419 V CB 1.318 32.914 31.823 -0.379 0.000 1.014 419 V HN 0.512 nan 8.190 nan 0.000 0.425 420 S N 1.924 117.742 115.700 0.196 0.000 2.480 420 S HA 0.397 4.865 4.470 -0.003 0.000 0.286 420 S C 1.351 176.041 174.600 0.151 0.000 1.180 420 S CA 0.104 58.401 58.200 0.162 0.000 1.075 420 S CB 1.448 64.751 63.200 0.172 0.000 0.996 420 S HN 1.714 nan 8.310 nan 0.000 0.487 421 S N 3.157 118.897 115.700 0.067 0.000 2.507 421 S HA -0.071 4.397 4.470 -0.003 0.000 0.235 421 S C 0.928 175.581 174.600 0.089 0.000 0.988 421 S CA 0.819 59.048 58.200 0.049 0.000 0.944 421 S CB -0.399 62.792 63.200 -0.014 0.000 0.762 421 S HN 0.764 nan 8.310 nan 0.000 0.526 422 D N 2.084 122.539 120.400 0.091 0.000 2.265 422 D HA -0.083 4.555 4.640 -0.003 0.000 0.208 422 D C 2.124 178.466 176.300 0.071 0.000 0.977 422 D CA 1.222 55.266 54.000 0.072 0.000 0.871 422 D CB -0.503 40.330 40.800 0.055 0.000 0.925 422 D HN 0.544 nan 8.370 nan 0.000 0.485 423 V N -1.121 118.860 119.914 0.111 0.000 2.568 423 V HA -0.191 3.927 4.120 -0.003 0.000 0.253 423 V C 2.139 178.310 176.094 0.128 0.000 1.072 423 V CA 1.154 63.499 62.300 0.075 0.000 1.084 423 V CB -0.929 30.950 31.823 0.093 0.000 0.676 423 V HN 0.177 nan 8.190 nan 0.000 0.469 424 L N 0.576 121.912 121.223 0.187 0.000 2.275 424 L HA -0.066 4.272 4.340 -0.003 0.000 0.215 424 L C 2.456 179.504 176.870 0.296 0.000 1.119 424 L CA 1.325 56.345 54.840 0.299 0.000 0.790 424 L CB -0.875 41.322 42.059 0.230 0.000 0.919 424 L HN 0.377 nan 8.230 nan 0.000 0.443 425 N N 0.178 118.938 118.700 0.100 0.000 2.381 425 N HA -0.125 4.613 4.740 -0.003 0.000 0.182 425 N C 1.381 176.785 175.510 -0.177 0.000 1.025 425 N CA 0.648 53.673 53.050 -0.041 0.000 0.888 425 N CB -0.359 38.103 38.487 -0.042 0.000 0.965 425 N HN 0.359 nan 8.380 nan 0.000 0.438 426 N N 0.053 118.599 118.700 -0.257 0.000 2.513 426 N HA -0.111 4.628 4.740 -0.003 0.000 0.187 426 N C 0.268 175.237 175.510 -0.901 0.000 1.056 426 N CA 0.797 53.499 53.050 -0.580 0.000 0.907 426 N CB -0.069 37.932 38.487 -0.810 0.000 0.954 426 N HN 0.345 nan 8.380 nan 0.000 0.445 427 F N -0.167 119.529 119.950 -0.425 0.000 2.746 427 F HA 0.272 4.798 4.527 -0.002 0.000 0.320 427 F C 0.673 175.815 175.800 -1.096 0.000 1.097 427 F CA -0.547 56.833 58.000 -1.034 0.000 1.195 427 F CB 0.581 39.208 39.000 -0.621 0.000 1.056 427 F HN -0.280 nan 8.300 nan 0.000 0.562 428 K N 2.400 122.398 120.400 -0.670 0.000 2.240 428 K HA 0.216 4.534 4.320 -0.003 0.000 0.271 428 K C -0.509 175.917 176.600 -0.290 0.000 1.018 428 K CA -0.643 55.123 56.287 -0.868 0.000 0.874 428 K CB 0.697 32.603 32.500 -0.990 0.000 1.098 428 K HN 0.055 nan 8.250 nan 0.000 0.458 429 D N 2.884 123.190 120.400 -0.156 0.000 2.466 429 D HA -0.029 4.610 4.640 -0.003 0.000 0.262 429 D C 1.052 177.302 176.300 -0.084 0.000 1.177 429 D CA -0.320 53.664 54.000 -0.026 0.000 1.035 429 D CB 0.572 41.387 40.800 0.026 0.000 1.105 429 D HN 0.642 nan 8.370 nan 0.000 0.551 430 E N 0.494 120.662 120.200 -0.053 0.000 2.097 430 E HA -0.277 4.071 4.350 -0.003 0.000 0.196 430 E C 0.480 177.059 176.600 -0.035 0.000 1.000 430 E CA 1.296 57.670 56.400 -0.044 0.000 0.804 430 E CB -0.729 28.951 29.700 -0.033 0.000 0.740 430 E HN 0.422 nan 8.360 nan 0.000 0.454 431 N N 0.597 119.282 118.700 -0.025 0.000 2.370 431 N HA 0.126 4.864 4.740 -0.003 0.000 0.198 431 N C 0.968 176.481 175.510 0.005 0.000 1.156 431 N CA 0.943 53.995 53.050 0.002 0.000 0.839 431 N CB 0.815 39.317 38.487 0.025 0.000 0.989 431 N HN 0.507 nan 8.380 nan 0.000 0.468 432 G N 0.279 109.046 108.800 -0.054 0.000 2.175 432 G HA2 -0.297 3.662 3.960 -0.003 0.000 0.244 432 G HA3 -0.297 3.662 3.960 -0.003 0.000 0.244 432 G C 0.187 175.000 174.900 -0.145 0.000 0.982 432 G CA -0.314 44.744 45.100 -0.070 0.000 0.641 432 G HN 0.331 nan 8.290 nan 0.000 0.527 433 R N -0.702 119.693 120.500 -0.175 0.000 2.500 433 R HA 0.627 4.965 4.340 -0.003 0.000 0.275 433 R C -0.556 175.337 176.300 -0.679 0.000 1.051 433 R CA -0.396 55.492 56.100 -0.353 0.000 1.088 433 R CB 0.581 30.865 30.300 -0.027 0.000 1.063 433 R HN 0.104 nan 8.270 nan 0.000 0.511 434 F N 2.335 121.541 119.950 -1.239 0.000 2.420 434 F HA 0.321 4.847 4.527 -0.002 0.000 0.342 434 F C 0.120 175.706 175.800 -0.356 0.000 1.113 434 F CA -0.732 56.809 58.000 -0.765 0.000 1.059 434 F CB 0.892 39.407 39.000 -0.808 0.000 1.128 434 F HN 0.370 nan 8.300 nan 0.000 0.475 435 F N -0.643 119.297 119.950 -0.017 0.000 2.497 435 F HA 0.586 5.112 4.527 -0.002 0.000 0.331 435 F C 0.801 176.649 175.800 0.079 0.000 1.060 435 F CA -0.860 57.160 58.000 0.034 0.000 0.989 435 F CB 0.599 39.611 39.000 0.019 0.000 1.245 435 F HN 0.312 nan 8.300 nan 0.000 0.486 436 S N -0.303 115.499 115.700 0.170 0.000 2.425 436 S HA 0.071 4.540 4.470 -0.003 0.000 0.225 436 S C 0.358 175.017 174.600 0.099 0.000 1.024 436 S CA 0.879 59.086 58.200 0.011 0.000 0.951 436 S CB -0.144 63.064 63.200 0.013 0.000 0.796 436 S HN 0.747 nan 8.310 nan 0.000 0.498 437 S N -1.245 114.660 115.700 0.341 0.000 2.556 437 S HA 0.570 5.038 4.470 -0.003 0.000 0.280 437 S C 0.152 174.955 174.600 0.338 0.000 1.141 437 S CA -0.131 58.275 58.200 0.342 0.000 0.883 437 S CB 0.989 64.244 63.200 0.091 0.000 1.103 437 S HN 0.148 nan 8.310 nan 0.000 0.453 438 A N 2.786 125.773 122.820 0.277 0.000 2.121 438 A HA 0.236 4.554 4.320 -0.003 0.000 0.218 438 A C 1.778 179.328 177.584 -0.058 0.000 1.154 438 A CA 1.562 53.602 52.037 0.005 0.000 0.679 438 A CB -0.958 18.048 19.000 0.009 0.000 0.795 438 A HN 1.336 nan 8.150 nan 0.000 0.458 439 G N -0.916 107.877 108.800 -0.013 0.000 2.985 439 G HA2 0.324 4.283 3.960 -0.003 0.000 0.209 439 G HA3 0.324 4.283 3.960 -0.003 0.000 0.209 439 G C 0.431 175.320 174.900 -0.017 0.000 1.165 439 G CA 0.560 45.636 45.100 -0.040 0.000 0.776 439 G HN 0.778 nan 8.290 nan 0.000 0.541 440 Q N -2.803 116.989 119.800 -0.014 0.000 2.707 440 Q HA 0.447 4.785 4.340 -0.003 0.000 0.307 440 Q C -0.391 175.610 176.000 0.002 0.000 0.934 440 Q CA -0.605 55.211 55.803 0.021 0.000 0.753 440 Q CB 0.684 29.426 28.738 0.006 0.000 1.478 440 Q HN -0.102 nan 8.270 nan 0.000 0.458 441 T N -0.373 114.232 114.554 0.086 0.000 3.018 441 T HA 0.073 4.422 4.350 -0.003 0.000 0.246 441 T C 0.211 174.992 174.700 0.136 0.000 1.026 441 T CA 0.571 62.726 62.100 0.092 0.000 1.081 441 T CB -0.160 68.778 68.868 0.116 0.000 0.970 441 T HN 0.602 nan 8.240 nan 0.000 0.475 442 H N 1.003 120.150 119.070 0.129 0.000 2.629 442 H HA 0.514 5.068 4.556 -0.003 0.000 0.357 442 H C -0.716 174.724 175.328 0.187 0.000 1.121 442 H CA -0.400 55.742 56.048 0.157 0.000 1.406 442 H CB 0.281 30.136 29.762 0.155 0.000 1.456 442 H HN -0.084 nan 8.280 nan 0.000 0.579 443 V N 3.303 123.367 119.914 0.249 0.000 2.394 443 V HA 0.114 4.232 4.120 -0.003 0.000 0.282 443 V C 0.280 176.530 176.094 0.260 0.000 1.031 443 V CA -0.711 61.712 62.300 0.205 0.000 0.881 443 V CB 1.133 33.102 31.823 0.242 0.000 0.982 443 V HN 0.782 nan 8.190 nan 0.000 0.451 444 E N 3.678 123.997 120.200 0.199 0.000 2.227 444 E HA 0.184 4.532 4.350 -0.003 0.000 0.282 444 E C 0.582 177.302 176.600 0.200 0.000 1.015 444 E CA -0.644 55.900 56.400 0.241 0.000 0.823 444 E CB 1.895 31.738 29.700 0.238 0.000 1.081 444 E HN 0.522 nan 8.360 nan 0.000 0.396 445 L N 3.768 125.132 121.223 0.236 0.000 2.046 445 L HA -0.190 4.148 4.340 -0.003 0.000 0.208 445 L C 2.253 179.215 176.870 0.153 0.000 1.077 445 L CA 1.948 56.928 54.840 0.233 0.000 0.747 445 L CB -0.321 41.864 42.059 0.209 0.000 0.896 445 L HN 0.430 nan 8.230 nan 0.000 0.432 446 R N 0.012 120.601 120.500 0.149 0.000 2.096 446 R HA -0.128 4.210 4.340 -0.003 0.000 0.235 446 R C 2.502 178.862 176.300 0.101 0.000 1.127 446 R CA 1.754 57.932 56.100 0.129 0.000 0.968 446 R CB -0.965 29.436 30.300 0.168 0.000 0.861 446 R HN 0.719 nan 8.270 nan 0.000 0.440 447 S N -1.213 114.539 115.700 0.087 0.000 2.423 447 S HA -0.061 4.408 4.470 -0.003 0.000 0.231 447 S C 1.919 176.503 174.600 -0.026 0.000 1.014 447 S CA 1.145 59.352 58.200 0.012 0.000 0.965 447 S CB -0.387 62.801 63.200 -0.019 0.000 0.785 447 S HN 0.097 nan 8.310 nan 0.000 0.495 448 V N 1.585 121.496 119.914 -0.004 0.000 2.488 448 V HA -0.047 4.071 4.120 -0.003 0.000 0.246 448 V C 2.640 178.757 176.094 0.038 0.000 1.046 448 V CA 1.172 63.456 62.300 -0.027 0.000 1.053 448 V CB -0.748 30.984 31.823 -0.152 0.000 0.679 448 V HN 0.427 nan 8.190 nan 0.000 0.458 449 V N 1.061 121.013 119.914 0.063 0.000 2.252 449 V HA -0.352 3.766 4.120 -0.003 0.000 0.249 449 V C 2.092 178.250 176.094 0.107 0.000 1.056 449 V CA 2.763 65.111 62.300 0.080 0.000 1.022 449 V CB -1.093 30.777 31.823 0.077 0.000 0.641 449 V HN 0.624 nan 8.190 nan 0.000 0.445 450 N N -0.210 118.529 118.700 0.065 0.000 2.244 450 N HA -0.136 4.602 4.740 -0.003 0.000 0.183 450 N C 1.706 177.210 175.510 -0.009 0.000 1.016 450 N CA 0.914 53.985 53.050 0.035 0.000 0.866 450 N CB -0.158 38.343 38.487 0.022 0.000 0.980 450 N HN 0.371 nan 8.380 nan 0.000 0.430 451 L N 0.280 121.481 121.223 -0.037 0.000 2.046 451 L HA -0.079 4.260 4.340 -0.003 0.000 0.208 451 L C 1.793 178.615 176.870 -0.081 0.000 1.077 451 L CA 1.519 56.287 54.840 -0.121 0.000 0.747 451 L CB -0.735 41.203 42.059 -0.203 0.000 0.896 451 L HN 0.104 nan 8.230 nan 0.000 0.432 452 F N 0.366 120.249 119.950 -0.113 0.000 2.102 452 F HA -0.174 4.351 4.527 -0.003 0.000 0.298 452 F C 2.566 178.323 175.800 -0.071 0.000 1.105 452 F CA 1.636 59.588 58.000 -0.080 0.000 1.239 452 F CB -0.228 38.744 39.000 -0.046 0.000 0.991 452 F HN -0.004 nan 8.300 nan 0.000 0.474 453 R N 0.080 120.672 120.500 0.152 0.000 2.096 453 R HA -0.121 4.218 4.340 -0.003 0.000 0.235 453 R C 2.443 178.648 176.300 -0.158 0.000 1.127 453 R CA 1.108 57.230 56.100 0.036 0.000 0.968 453 R CB -0.799 29.527 30.300 0.042 0.000 0.861 453 R HN 0.400 nan 8.270 nan 0.000 0.440 454 A N 1.061 123.785 122.820 -0.159 0.000 1.902 454 A HA -0.196 4.123 4.320 -0.003 0.000 0.217 454 A C 2.178 179.608 177.584 -0.256 0.000 1.181 454 A CA 1.942 53.855 52.037 -0.207 0.000 0.623 454 A CB -0.587 18.321 19.000 -0.154 0.000 0.818 454 A HN 0.444 nan 8.150 nan 0.000 0.443 455 S N -0.212 115.317 115.700 -0.285 0.000 2.474 455 S HA -0.155 4.313 4.470 -0.003 0.000 0.235 455 S C 1.264 175.694 174.600 -0.283 0.000 0.997 455 S CA 1.331 59.354 58.200 -0.295 0.000 0.949 455 S CB -0.463 62.529 63.200 -0.347 0.000 0.766 455 S HN 0.471 nan 8.310 nan 0.000 0.517 456 D N 1.407 121.616 120.400 -0.320 0.000 2.182 456 D HA 0.003 4.641 4.640 -0.003 0.000 0.201 456 D C 0.934 177.184 176.300 -0.083 0.000 0.986 456 D CA 0.743 54.640 54.000 -0.173 0.000 0.847 456 D CB -0.254 40.473 40.800 -0.122 0.000 0.942 456 D HN 0.356 nan 8.370 nan 0.000 0.467 457 L N 0.383 121.456 121.223 -0.249 0.000 2.688 457 L HA 0.272 4.611 4.340 -0.003 0.000 0.234 457 L C 0.491 177.262 176.870 -0.165 0.000 1.192 457 L CA -0.243 54.450 54.840 -0.245 0.000 0.984 457 L CB -0.570 41.168 42.059 -0.535 0.000 1.232 457 L HN -0.182 nan 8.230 nan 0.000 0.465 458 A N -0.439 122.348 122.820 -0.055 0.000 2.531 458 A HA 0.282 4.600 4.320 -0.003 0.000 0.236 458 A C -0.073 177.623 177.584 0.186 0.000 1.062 458 A CA 0.118 52.126 52.037 -0.050 0.000 0.760 458 A CB -0.127 18.890 19.000 0.028 0.000 0.995 458 A HN 0.126 nan 8.150 nan 0.000 0.501 459 F N 1.572 121.620 119.950 0.162 0.000 2.410 459 F HA 0.521 5.046 4.527 -0.003 0.000 0.324 459 F C -1.969 173.881 175.800 0.084 0.000 1.093 459 F CA -2.735 55.367 58.000 0.170 0.000 1.028 459 F CB -0.076 39.022 39.000 0.163 0.000 1.309 459 F HN 0.274 nan 8.300 nan 0.000 0.499 460 P HA 0.147 nan 4.420 nan 0.000 0.271 460 P C -0.605 176.737 177.300 0.071 0.000 1.216 460 P CA 0.296 63.465 63.100 0.114 0.000 0.776 460 P CB 0.364 32.094 31.700 0.051 0.000 0.881 461 D N -0.292 120.142 120.400 0.056 0.000 3.051 461 D HA -0.138 4.500 4.640 -0.003 0.000 0.218 461 D C -0.646 175.682 176.300 0.047 0.000 1.129 461 D CA 0.855 54.878 54.000 0.038 0.000 0.868 461 D CB -1.506 39.303 40.800 0.014 0.000 1.100 461 D HN 0.595 nan 8.370 nan 0.000 0.429 462 E N 0.186 120.421 120.200 0.058 0.000 2.267 462 E HA 0.237 4.585 4.350 -0.003 0.000 0.241 462 E C 1.201 177.827 176.600 0.044 0.000 0.950 462 E CA -0.517 55.913 56.400 0.049 0.000 0.776 462 E CB 1.317 31.039 29.700 0.038 0.000 1.207 462 E HN -0.002 nan 8.360 nan 0.000 0.436 463 R N 2.484 123.012 120.500 0.046 0.000 2.096 463 R HA -0.160 4.179 4.340 -0.003 0.000 0.235 463 R C 1.921 178.262 176.300 0.068 0.000 1.127 463 R CA 1.906 58.037 56.100 0.053 0.000 0.968 463 R CB -0.216 30.112 30.300 0.047 0.000 0.861 463 R HN 0.508 nan 8.270 nan 0.000 0.440 464 A N 0.087 122.948 122.820 0.068 0.000 1.940 464 A HA -0.175 4.144 4.320 -0.003 0.000 0.219 464 A C 1.985 179.621 177.584 0.087 0.000 1.176 464 A CA 1.680 53.777 52.037 0.100 0.000 0.631 464 A CB -0.396 18.656 19.000 0.088 0.000 0.814 464 A HN 0.279 nan 8.150 nan 0.000 0.446 465 M N -0.079 119.540 119.600 0.031 0.000 2.200 465 M HA -0.077 4.401 4.480 -0.003 0.000 0.265 465 M C 1.376 177.673 176.300 -0.005 0.000 1.066 465 M CA 1.191 56.480 55.300 -0.019 0.000 1.127 465 M CB -1.399 31.174 32.600 -0.045 0.000 1.379 465 M HN 0.374 nan 8.290 nan 0.000 0.420 466 D N 0.745 121.166 120.400 0.035 0.000 2.097 466 D HA -0.149 4.490 4.640 -0.003 0.000 0.197 466 D C 1.510 177.865 176.300 0.093 0.000 0.984 466 D CA 1.206 55.237 54.000 0.051 0.000 0.826 466 D CB -0.273 40.562 40.800 0.059 0.000 0.973 466 D HN 0.297 nan 8.370 nan 0.000 0.460 467 D N 0.826 121.309 120.400 0.139 0.000 2.144 467 D HA -0.072 4.566 4.640 -0.003 0.000 0.200 467 D C 2.062 178.552 176.300 0.317 0.000 0.978 467 D CA 1.023 55.169 54.000 0.243 0.000 0.833 467 D CB -0.270 40.687 40.800 0.261 0.000 0.961 467 D HN 0.114 nan 8.370 nan 0.000 0.470 468 A N 0.925 123.822 122.820 0.129 0.000 1.883 468 A HA -0.206 4.113 4.320 -0.003 0.000 0.217 468 A C 2.213 179.751 177.584 -0.076 0.000 1.186 468 A CA 1.618 53.499 52.037 -0.260 0.000 0.624 468 A CB -0.511 18.294 19.000 -0.325 0.000 0.822 468 A HN 0.116 nan 8.150 nan 0.000 0.444 469 R N -0.316 120.165 120.500 -0.031 0.000 2.115 469 R HA -0.052 4.286 4.340 -0.003 0.000 0.226 469 R C 1.934 178.312 176.300 0.130 0.000 1.100 469 R CA 1.434 57.529 56.100 -0.008 0.000 0.980 469 R CB -0.150 30.081 30.300 -0.114 0.000 0.875 469 R HN 0.521 nan 8.270 nan 0.000 0.445 470 K N -0.716 119.773 120.400 0.150 0.000 2.217 470 K HA -0.123 4.195 4.320 -0.003 0.000 0.202 470 K C 1.666 178.404 176.600 0.230 0.000 1.051 470 K CA 1.127 57.519 56.287 0.174 0.000 0.952 470 K CB -0.057 32.541 32.500 0.163 0.000 0.736 470 K HN 0.162 nan 8.250 nan 0.000 0.453 471 F N 1.009 121.048 119.950 0.148 0.000 2.262 471 F HA 0.068 4.593 4.527 -0.003 0.000 0.292 471 F C 2.098 177.988 175.800 0.149 0.000 1.081 471 F CA 0.851 58.959 58.000 0.181 0.000 1.355 471 F CB -0.113 39.066 39.000 0.298 0.000 1.069 471 F HN -0.096 nan 8.300 nan 0.000 0.506 472 A N 0.282 123.142 122.820 0.067 0.000 1.873 472 A HA -0.185 4.133 4.320 -0.003 0.000 0.215 472 A C 2.192 179.797 177.584 0.036 0.000 1.186 472 A CA 1.740 53.775 52.037 -0.003 0.000 0.616 472 A CB -1.098 18.018 19.000 0.192 0.000 0.823 472 A HN 0.561 nan 8.150 nan 0.000 0.442 473 E N -0.248 120.057 120.200 0.175 0.000 2.023 473 E HA -0.176 4.172 4.350 -0.003 0.000 0.196 473 E C -0.699 175.878 176.600 -0.039 0.000 1.003 473 E CA 1.735 58.179 56.400 0.073 0.000 0.809 473 E CB -0.640 29.190 29.700 0.216 0.000 0.755 473 E HN 0.407 nan 8.360 nan 0.000 0.449 474 P HA -0.162 nan 4.420 nan 0.000 0.216 474 P C 0.766 178.014 177.300 -0.088 0.000 1.150 474 P CA 1.130 64.200 63.100 -0.049 0.000 0.837 474 P CB -0.190 31.497 31.700 -0.022 0.000 0.786 475 Y N 0.264 120.400 120.300 -0.274 0.000 2.165 475 Y HA -0.186 4.363 4.550 -0.003 0.000 0.286 475 Y C 2.068 177.857 175.900 -0.185 0.000 1.155 475 Y CA 1.548 59.478 58.100 -0.284 0.000 1.164 475 Y CB -0.781 37.381 38.460 -0.497 0.000 0.978 475 Y HN -0.195 nan 8.280 nan 0.000 0.513 476 L N -0.667 120.546 121.223 -0.017 0.000 2.156 476 L HA -0.134 4.205 4.340 -0.003 0.000 0.208 476 L C 2.405 179.176 176.870 -0.165 0.000 1.095 476 L CA 1.006 55.792 54.840 -0.091 0.000 0.770 476 L CB -0.453 41.498 42.059 -0.180 0.000 0.914 476 L HN 0.107 nan 8.230 nan 0.000 0.439 477 R N -0.406 119.997 120.500 -0.160 0.000 2.148 477 R HA -0.103 4.236 4.340 -0.003 0.000 0.223 477 R C 2.097 178.322 176.300 -0.125 0.000 1.088 477 R CA 0.563 56.576 56.100 -0.145 0.000 0.985 477 R CB -0.039 30.192 30.300 -0.114 0.000 0.880 477 R HN 0.271 nan 8.270 nan 0.000 0.451 478 E N 0.940 121.050 120.200 -0.150 0.000 2.076 478 E HA -0.044 4.304 4.350 -0.003 0.000 0.190 478 E C 1.848 178.353 176.600 -0.159 0.000 0.979 478 E CA 1.023 57.330 56.400 -0.155 0.000 0.807 478 E CB 0.062 29.634 29.700 -0.213 0.000 0.761 478 E HN 0.243 nan 8.360 nan 0.000 0.454 479 A N 1.103 123.802 122.820 -0.203 0.000 1.933 479 A HA -0.140 4.178 4.320 -0.003 0.000 0.218 479 A C 2.405 179.947 177.584 -0.070 0.000 1.175 479 A CA 1.104 53.055 52.037 -0.143 0.000 0.628 479 A CB -0.646 18.280 19.000 -0.124 0.000 0.814 479 A HN 0.245 nan 8.150 nan 0.000 0.444 480 L N -0.930 120.226 121.223 -0.111 0.000 2.027 480 L HA -0.163 4.175 4.340 -0.003 0.000 0.206 480 L C 3.072 179.996 176.870 0.090 0.000 1.074 480 L CA 1.098 55.877 54.840 -0.102 0.000 0.745 480 L CB -0.561 41.309 42.059 -0.315 0.000 0.898 480 L HN 0.418 nan 8.230 nan 0.000 0.433 481 A N -1.052 121.780 122.820 0.021 0.000 2.015 481 A HA -0.131 4.188 4.320 -0.003 0.000 0.219 481 A C 2.118 179.726 177.584 0.040 0.000 1.163 481 A CA 2.296 54.359 52.037 0.044 0.000 0.646 481 A CB -0.389 18.611 19.000 0.000 0.000 0.806 481 A HN 0.467 nan 8.150 nan 0.000 0.448 482 T N -2.203 112.361 114.554 0.017 0.000 3.177 482 T HA 0.089 4.438 4.350 -0.003 0.000 0.262 482 T C 1.560 176.267 174.700 0.012 0.000 0.959 482 T CA 0.348 62.451 62.100 0.006 0.000 0.996 482 T CB 0.127 68.983 68.868 -0.020 0.000 1.185 482 T HN 0.256 nan 8.240 nan 0.000 0.486 483 K N 1.169 121.572 120.400 0.005 0.000 2.262 483 K HA 0.346 4.665 4.320 -0.003 0.000 0.200 483 K C 0.641 177.268 176.600 0.046 0.000 1.049 483 K CA 0.376 56.670 56.287 0.011 0.000 0.979 483 K CB 0.386 32.879 32.500 -0.012 0.000 0.773 483 K HN 0.398 nan 8.250 nan 0.000 0.474 484 I N 1.685 122.310 120.570 0.091 0.000 2.412 484 I HA 0.107 4.276 4.170 -0.003 0.000 0.296 484 I C -0.191 176.038 176.117 0.187 0.000 0.987 484 I CA -0.630 60.763 61.300 0.156 0.000 1.180 484 I CB 1.840 39.966 38.000 0.209 0.000 1.340 484 I HN -0.198 nan 8.210 nan 0.000 0.455 485 S N 3.439 119.197 115.700 0.097 0.000 2.528 485 S HA 0.071 4.540 4.470 -0.003 0.000 0.277 485 S C 1.292 175.789 174.600 -0.173 0.000 1.297 485 S CA -0.504 57.683 58.200 -0.020 0.000 1.052 485 S CB 1.264 64.445 63.200 -0.032 0.000 0.917 485 S HN 0.725 nan 8.310 nan 0.000 0.492 486 T N 3.022 117.320 114.554 -0.426 0.000 2.594 486 T HA -0.205 4.143 4.350 -0.003 0.000 0.266 486 T C 1.267 175.640 174.700 -0.545 0.000 1.070 486 T CA 1.862 63.446 62.100 -0.860 0.000 1.166 486 T CB -0.530 68.021 68.868 -0.527 0.000 0.862 486 T HN 0.833 nan 8.240 nan 0.000 0.436 487 N N 2.909 121.453 118.700 -0.260 0.000 3.303 487 N HA 0.064 4.802 4.740 -0.003 0.000 0.304 487 N C -0.555 174.914 175.510 -0.068 0.000 1.302 487 N CA -0.121 52.845 53.050 -0.141 0.000 1.213 487 N CB -0.302 38.122 38.487 -0.105 0.000 1.481 487 N HN 0.542 nan 8.380 nan 0.000 0.546 488 T N -3.330 111.213 114.554 -0.019 0.000 2.900 488 T HA 0.351 4.699 4.350 -0.003 0.000 0.303 488 T C 0.759 175.500 174.700 0.069 0.000 1.142 488 T CA -0.927 61.191 62.100 0.030 0.000 1.007 488 T CB 2.239 71.137 68.868 0.051 0.000 1.156 488 T HN -0.003 nan 8.240 nan 0.000 0.490 489 K N 0.046 120.460 120.400 0.023 0.000 2.103 489 K HA -0.073 4.245 4.320 -0.003 0.000 0.207 489 K C 1.919 178.536 176.600 0.029 0.000 1.048 489 K CA 1.126 57.414 56.287 0.001 0.000 0.930 489 K CB -0.385 32.077 32.500 -0.063 0.000 0.716 489 K HN 0.408 nan 8.250 nan 0.000 0.444 490 L N 0.739 121.985 121.223 0.039 0.000 2.012 490 L HA -0.157 4.181 4.340 -0.003 0.000 0.210 490 L C 2.034 178.957 176.870 0.089 0.000 1.073 490 L CA 1.537 56.403 54.840 0.042 0.000 0.748 490 L CB -0.581 41.504 42.059 0.043 0.000 0.891 490 L HN 0.090 nan 8.230 nan 0.000 0.431 491 F N 0.163 120.114 119.950 0.001 0.000 2.095 491 F HA -0.286 4.239 4.527 -0.003 0.000 0.298 491 F C 2.353 178.172 175.800 0.031 0.000 1.104 491 F CA 1.878 59.884 58.000 0.011 0.000 1.232 491 F CB -0.107 38.894 39.000 0.003 0.000 0.987 491 F HN 0.010 nan 8.300 nan 0.000 0.475 492 K N 0.604 121.173 120.400 0.281 0.000 2.032 492 K HA -0.245 4.073 4.320 -0.003 0.000 0.209 492 K C 2.073 178.751 176.600 0.129 0.000 1.048 492 K CA 1.878 58.285 56.287 0.201 0.000 0.927 492 K CB -0.557 32.026 32.500 0.139 0.000 0.712 492 K HN 0.493 nan 8.250 nan 0.000 0.441 493 E N 0.423 120.681 120.200 0.097 0.000 2.038 493 E HA -0.198 4.150 4.350 -0.003 0.000 0.195 493 E C 1.856 178.528 176.600 0.120 0.000 1.000 493 E CA 1.580 58.058 56.400 0.131 0.000 0.803 493 E CB -0.117 29.651 29.700 0.114 0.000 0.750 493 E HN 0.270 nan 8.360 nan 0.000 0.448 494 I N 0.893 121.467 120.570 0.007 0.000 2.394 494 I HA -0.201 3.967 4.170 -0.003 0.000 0.251 494 I C 2.687 178.721 176.117 -0.139 0.000 1.136 494 I CA 1.224 62.480 61.300 -0.073 0.000 1.425 494 I CB -0.449 37.469 38.000 -0.136 0.000 1.079 494 I HN 0.316 nan 8.210 nan 0.000 0.425 495 E N 0.844 120.932 120.200 -0.186 0.000 2.106 495 E HA -0.281 4.067 4.350 -0.003 0.000 0.192 495 E C 2.264 178.869 176.600 0.009 0.000 0.984 495 E CA 1.281 57.575 56.400 -0.177 0.000 0.806 495 E CB -0.153 29.425 29.700 -0.204 0.000 0.750 495 E HN 0.515 nan 8.360 nan 0.000 0.458 496 Y N 0.527 120.852 120.300 0.042 0.000 2.200 496 Y HA -0.204 4.344 4.550 -0.003 0.000 0.290 496 Y C 2.095 178.082 175.900 0.145 0.000 1.137 496 Y CA 1.379 59.580 58.100 0.169 0.000 1.163 496 Y CB -0.135 38.421 38.460 0.161 0.000 0.988 496 Y HN -0.102 nan 8.280 nan 0.000 0.518 497 V N -0.038 120.002 119.914 0.209 0.000 2.252 497 V HA -0.359 3.759 4.120 -0.003 0.000 0.249 497 V C 2.475 178.520 176.094 -0.081 0.000 1.056 497 V CA 2.250 64.621 62.300 0.119 0.000 1.022 497 V CB -1.094 30.754 31.823 0.041 0.000 0.641 497 V HN 0.537 nan 8.190 nan 0.000 0.445 498 V N -2.454 117.292 119.914 -0.280 0.000 2.591 498 V HA -0.037 4.082 4.120 -0.003 0.000 0.249 498 V C 2.255 178.222 176.094 -0.212 0.000 1.053 498 V CA 1.506 63.579 62.300 -0.379 0.000 1.068 498 V CB -0.612 30.950 31.823 -0.435 0.000 0.689 498 V HN 0.465 nan 8.190 nan 0.000 0.462 499 E N 0.184 120.240 120.200 -0.240 0.000 2.112 499 E HA -0.001 4.347 4.350 -0.003 0.000 0.190 499 E C 0.153 176.345 176.600 -0.681 0.000 0.979 499 E CA 1.147 57.305 56.400 -0.403 0.000 0.814 499 E CB -0.039 29.442 29.700 -0.365 0.000 0.762 499 E HN 0.842 nan 8.360 nan 0.000 0.460 500 Y N 0.423 120.487 120.300 -0.394 0.000 2.658 500 Y HA 0.285 4.833 4.550 -0.003 0.000 0.362 500 Y C -2.206 173.554 175.900 -0.234 0.000 1.017 500 Y CA -2.564 55.263 58.100 -0.456 0.000 1.134 500 Y CB 0.934 38.786 38.460 -1.014 0.000 1.144 500 Y HN -0.041 nan 8.280 nan 0.000 0.655 501 P HA -0.122 nan 4.420 nan 0.000 0.271 501 P C 0.860 178.286 177.300 0.210 0.000 1.238 501 P CA -0.034 63.192 63.100 0.210 0.000 0.794 501 P CB 0.824 32.663 31.700 0.232 0.000 0.959 502 W N 1.014 122.309 121.300 -0.008 0.000 2.304 502 W HA -0.239 4.420 4.660 -0.003 0.000 0.315 502 W C 1.935 178.385 176.519 -0.115 0.000 1.233 502 W CA 1.932 59.222 57.345 -0.093 0.000 1.261 502 W CB -1.096 28.243 29.460 -0.202 0.000 1.150 502 W HN 0.419 nan 8.180 nan 0.000 0.494 503 H N -0.476 118.589 119.070 -0.008 0.000 2.563 503 H HA 0.045 4.599 4.556 -0.003 0.000 0.272 503 H C 1.373 176.592 175.328 -0.182 0.000 1.005 503 H CA 1.653 57.560 56.048 -0.235 0.000 1.171 503 H CB -0.651 29.055 29.762 -0.094 0.000 1.351 503 H HN 0.405 nan 8.280 nan 0.000 0.602 504 M N -2.195 117.411 119.600 0.010 0.000 2.540 504 M HA 0.286 4.764 4.480 -0.003 0.000 0.404 504 M C 0.014 176.337 176.300 0.039 0.000 1.133 504 M CA -0.198 55.116 55.300 0.023 0.000 0.900 504 M CB 0.975 33.620 32.600 0.073 0.000 1.540 504 M HN -0.185 nan 8.290 nan 0.000 0.539 505 S N 2.488 118.188 115.700 -0.001 0.000 2.415 505 S HA 0.450 4.918 4.470 -0.003 0.000 0.313 505 S C 0.092 174.668 174.600 -0.041 0.000 1.067 505 S CA -0.633 57.604 58.200 0.061 0.000 1.099 505 S CB 0.222 63.544 63.200 0.203 0.000 0.991 505 S HN 0.380 nan 8.310 nan 0.000 0.491 506 I N 7.342 127.855 120.570 -0.094 0.000 2.618 506 I HA 0.159 4.327 4.170 -0.003 0.000 0.284 506 I C -1.306 174.730 176.117 -0.135 0.000 1.146 506 I CA -1.820 59.360 61.300 -0.200 0.000 1.425 506 I CB 0.688 38.456 38.000 -0.387 0.000 1.383 506 I HN 0.451 nan 8.210 nan 0.000 0.562 507 P HA -0.147 nan 4.420 nan 0.000 0.215 507 P C 1.443 178.619 177.300 -0.207 0.000 1.157 507 P CA 1.420 64.466 63.100 -0.091 0.000 0.874 507 P CB 0.132 31.848 31.700 0.027 0.000 0.790 508 R N -0.942 119.386 120.500 -0.287 0.000 2.115 508 R HA 0.029 4.367 4.340 -0.003 0.000 0.226 508 R C 2.348 178.640 176.300 -0.014 0.000 1.100 508 R CA 0.756 56.723 56.100 -0.221 0.000 0.980 508 R CB -1.497 28.640 30.300 -0.273 0.000 0.875 508 R HN 0.309 nan 8.270 nan 0.000 0.445 509 L N 0.782 121.962 121.223 -0.072 0.000 2.072 509 L HA -0.131 4.207 4.340 -0.003 0.000 0.205 509 L C 2.494 179.268 176.870 -0.160 0.000 1.079 509 L CA 1.322 56.109 54.840 -0.089 0.000 0.752 509 L CB -0.256 41.723 42.059 -0.134 0.000 0.906 509 L HN 0.247 nan 8.230 nan 0.000 0.436 510 E N -0.042 120.091 120.200 -0.112 0.000 2.038 510 E HA -0.270 4.079 4.350 -0.003 0.000 0.195 510 E C 2.065 178.570 176.600 -0.157 0.000 1.000 510 E CA 1.396 57.674 56.400 -0.203 0.000 0.803 510 E CB -0.023 29.707 29.700 0.050 0.000 0.750 510 E HN 0.532 nan 8.360 nan 0.000 0.448 511 A N 1.118 123.920 122.820 -0.031 0.000 1.902 511 A HA -0.197 4.122 4.320 -0.003 0.000 0.217 511 A C 2.176 179.723 177.584 -0.062 0.000 1.181 511 A CA 1.742 53.804 52.037 0.042 0.000 0.623 511 A CB -0.524 18.539 19.000 0.105 0.000 0.818 511 A HN 0.162 nan 8.150 nan 0.000 0.443 512 R N 0.359 120.776 120.500 -0.139 0.000 2.092 512 R HA -0.084 4.254 4.340 -0.003 0.000 0.231 512 R C 2.428 178.560 176.300 -0.280 0.000 1.119 512 R CA 2.090 57.965 56.100 -0.376 0.000 0.970 512 R CB -0.779 29.318 30.300 -0.339 0.000 0.864 512 R HN 0.503 nan 8.270 nan 0.000 0.440 513 S N -1.094 114.446 115.700 -0.266 0.000 2.357 513 S HA -0.183 4.285 4.470 -0.003 0.000 0.221 513 S C 1.982 176.458 174.600 -0.206 0.000 1.031 513 S CA 0.985 59.021 58.200 -0.273 0.000 0.982 513 S CB -0.596 62.292 63.200 -0.521 0.000 0.853 513 S HN 0.563 nan 8.310 nan 0.000 0.458 514 Y N 1.415 121.501 120.300 -0.357 0.000 2.352 514 Y HA 0.099 4.647 4.550 -0.003 0.000 0.292 514 Y C 1.934 177.711 175.900 -0.205 0.000 1.136 514 Y CA 1.243 59.139 58.100 -0.339 0.000 1.227 514 Y CB -0.158 37.970 38.460 -0.553 0.000 0.991 514 Y HN 0.289 nan 8.280 nan 0.000 0.545 515 I N 0.134 120.589 120.570 -0.193 0.000 2.335 515 I HA -0.309 3.859 4.170 -0.003 0.000 0.251 515 I C 1.030 177.028 176.117 -0.197 0.000 1.129 515 I CA 1.522 62.696 61.300 -0.210 0.000 1.402 515 I CB -0.274 37.595 38.000 -0.218 0.000 1.069 515 I HN 0.215 nan 8.210 nan 0.000 0.424 516 D N -0.626 119.660 120.400 -0.190 0.000 2.339 516 D HA 0.009 4.648 4.640 -0.003 0.000 0.217 516 D C 1.774 177.992 176.300 -0.137 0.000 1.050 516 D CA 0.534 54.451 54.000 -0.139 0.000 0.856 516 D CB 0.311 41.047 40.800 -0.107 0.000 0.922 516 D HN 0.298 nan 8.370 nan 0.000 0.518 517 S N -1.320 114.251 115.700 -0.215 0.000 2.549 517 S HA 0.043 4.511 4.470 -0.003 0.000 0.225 517 S C 0.619 175.019 174.600 -0.333 0.000 1.039 517 S CA -0.564 57.511 58.200 -0.209 0.000 0.942 517 S CB -0.192 62.941 63.200 -0.112 0.000 0.881 517 S HN 0.196 nan 8.310 nan 0.000 0.503 518 Y N 4.141 124.017 120.300 -0.706 0.000 2.650 518 Y HA 0.261 4.809 4.550 -0.003 0.000 0.331 518 Y C -0.248 175.460 175.900 -0.321 0.000 1.165 518 Y CA -0.304 57.396 58.100 -0.667 0.000 1.473 518 Y CB 0.138 38.141 38.460 -0.762 0.000 1.224 518 Y HN 0.034 nan 8.280 nan 0.000 0.533 519 D N 5.512 125.502 120.400 -0.683 0.000 2.359 519 D HA 0.040 4.679 4.640 -0.003 0.000 0.230 519 D C 0.149 176.114 176.300 -0.558 0.000 1.118 519 D CA -0.392 53.335 54.000 -0.454 0.000 0.844 519 D CB 0.606 41.235 40.800 -0.285 0.000 1.059 519 D HN 0.741 nan 8.370 nan 0.000 0.493 520 D N 2.019 122.244 120.400 -0.291 0.000 2.328 520 D HA -0.062 4.576 4.640 -0.003 0.000 0.226 520 D C 0.173 176.459 176.300 -0.024 0.000 1.066 520 D CA -0.076 53.849 54.000 -0.126 0.000 0.861 520 D CB -0.101 40.748 40.800 0.081 0.000 0.912 520 D HN 0.193 nan 8.370 nan 0.000 0.521 521 N N -0.248 118.438 118.700 -0.024 0.000 2.628 521 N HA 0.079 4.818 4.740 -0.003 0.000 0.299 521 N C -1.785 173.768 175.510 0.072 0.000 1.834 521 N CA -0.606 52.482 53.050 0.063 0.000 0.871 521 N CB -0.084 38.449 38.487 0.077 0.000 1.377 521 N HN 0.090 nan 8.380 nan 0.000 0.493 522 Y N 0.218 120.393 120.300 -0.208 0.000 2.352 522 Y HA 0.648 5.196 4.550 -0.003 0.000 0.326 522 Y C -0.769 174.828 175.900 -0.505 0.000 1.166 522 Y CA -0.732 57.127 58.100 -0.402 0.000 1.182 522 Y CB 1.243 39.311 38.460 -0.653 0.000 1.216 522 Y HN -0.066 nan 8.280 nan 0.000 0.474 523 V N 6.757 125.857 119.914 -1.356 0.000 2.588 523 V HA 0.377 4.495 4.120 -0.003 0.000 0.304 523 V C -1.260 174.128 176.094 -1.177 0.000 1.042 523 V CA -0.741 60.969 62.300 -0.983 0.000 0.877 523 V CB 0.906 32.209 31.823 -0.866 0.000 0.996 523 V HN 0.855 nan 8.190 nan 0.000 0.425 524 W N 3.909 124.745 121.300 -0.773 0.000 2.237 524 W HA 0.467 5.125 4.660 -0.003 0.000 0.335 524 W C -0.106 176.118 176.519 -0.491 0.000 1.230 524 W CA -0.240 56.714 57.345 -0.652 0.000 1.253 524 W CB 1.730 30.559 29.460 -1.051 0.000 1.129 524 W HN 0.589 nan 8.180 nan 0.000 0.590 525 Q N 2.590 122.405 119.800 0.026 0.000 2.341 525 Q HA 0.283 4.621 4.340 -0.003 0.000 0.268 525 Q C -0.059 176.101 176.000 0.268 0.000 1.013 525 Q CA -0.204 55.663 55.803 0.107 0.000 0.798 525 Q CB 1.863 30.619 28.738 0.029 0.000 1.253 525 Q HN 0.490 nan 8.270 nan 0.000 0.457 526 R N 2.669 123.361 120.500 0.320 0.000 2.091 526 R HA 0.416 4.754 4.340 -0.003 0.000 0.121 526 R C 0.638 177.008 176.300 0.117 0.000 1.812 526 R CA -0.081 56.170 56.100 0.251 0.000 1.565 526 R CB 0.273 30.710 30.300 0.228 0.000 1.305 526 R HN 0.514 nan 8.270 nan 0.000 0.467 527 K N -0.229 120.215 120.400 0.073 0.000 2.167 527 K HA 0.037 4.356 4.320 -0.003 0.000 0.203 527 K C 0.240 176.797 176.600 -0.072 0.000 1.052 527 K CA 1.513 57.788 56.287 -0.020 0.000 0.956 527 K CB 0.369 32.832 32.500 -0.062 0.000 0.735 527 K HN 0.522 nan 8.250 nan 0.000 0.451 528 T N -2.704 111.845 114.554 -0.007 0.000 2.669 528 T HA 0.470 4.818 4.350 -0.003 0.000 0.283 528 T C -0.342 174.443 174.700 0.141 0.000 1.019 528 T CA -0.979 61.136 62.100 0.026 0.000 1.039 528 T CB 0.953 69.827 68.868 0.010 0.000 1.374 528 T HN -0.144 nan 8.240 nan 0.000 0.523 529 L N 1.603 122.895 121.223 0.115 0.000 2.357 529 L HA 0.701 5.040 4.340 -0.003 0.000 0.273 529 L C -0.785 176.218 176.870 0.221 0.000 1.080 529 L CA -1.055 53.846 54.840 0.101 0.000 0.803 529 L CB 0.784 42.832 42.059 -0.018 0.000 1.174 529 L HN 0.879 nan 8.230 nan 0.000 0.443 530 Y N -0.009 120.316 120.300 0.042 0.000 2.638 530 Y HA 0.701 5.249 4.550 -0.003 0.000 0.335 530 Y C -1.088 174.889 175.900 0.129 0.000 1.155 530 Y CA -1.459 56.673 58.100 0.054 0.000 1.046 530 Y CB 1.325 39.794 38.460 0.015 0.000 1.303 530 Y HN 0.351 nan 8.280 nan 0.000 0.460 531 R N 1.941 122.552 120.500 0.184 0.000 2.732 531 R HA 0.687 5.026 4.340 -0.003 0.000 0.278 531 R C -1.249 175.152 176.300 0.169 0.000 0.976 531 R CA -1.169 55.040 56.100 0.181 0.000 0.963 531 R CB 2.083 32.455 30.300 0.120 0.000 1.150 531 R HN 0.832 nan 8.270 nan 0.000 0.478 532 M N 2.878 122.544 119.600 0.111 0.000 1.960 532 M HA 0.242 4.720 4.480 -0.003 0.000 0.271 532 M C -2.051 174.294 176.300 0.074 0.000 0.862 532 M CA -1.820 53.449 55.300 -0.052 0.000 0.854 532 M CB 2.145 34.474 32.600 -0.452 0.000 1.575 532 M HN 0.172 nan 8.290 nan 0.000 0.375 533 P HA -0.106 nan 4.420 nan 0.000 0.218 533 P C 1.033 178.380 177.300 0.078 0.000 1.146 533 P CA 1.375 64.535 63.100 0.099 0.000 0.813 533 P CB 0.292 32.036 31.700 0.073 0.000 0.778 534 S N -0.891 114.825 115.700 0.028 0.000 2.387 534 S HA -0.023 4.446 4.470 -0.003 0.000 0.226 534 S C 1.735 176.362 174.600 0.046 0.000 1.026 534 S CA 0.999 59.192 58.200 -0.012 0.000 0.972 534 S CB -0.789 62.359 63.200 -0.087 0.000 0.814 534 S HN 0.160 nan 8.310 nan 0.000 0.477 535 L N 0.055 121.329 121.223 0.086 0.000 2.249 535 L HA 0.210 4.548 4.340 -0.003 0.000 0.207 535 L C 1.190 178.266 176.870 0.343 0.000 1.090 535 L CA 0.468 55.425 54.840 0.197 0.000 0.802 535 L CB -0.076 42.046 42.059 0.106 0.000 0.947 535 L HN 0.119 nan 8.230 nan 0.000 0.453 536 S N 0.568 116.467 115.700 0.332 0.000 2.468 536 S HA 0.276 4.744 4.470 -0.003 0.000 0.190 536 S C -0.542 174.154 174.600 0.159 0.000 1.445 536 S CA -0.555 57.751 58.200 0.176 0.000 1.084 536 S CB -0.392 62.945 63.200 0.228 0.000 1.175 536 S HN 0.219 nan 8.310 nan 0.000 0.484 537 N N 1.146 120.001 118.700 0.259 0.000 2.372 537 N HA 0.344 5.082 4.740 -0.003 0.000 0.285 537 N C 0.783 176.442 175.510 0.248 0.000 1.008 537 N CA -0.303 52.880 53.050 0.223 0.000 0.880 537 N CB 1.804 40.401 38.487 0.184 0.000 1.239 537 N HN 0.252 nan 8.380 nan 0.000 0.484 538 S N 2.797 118.590 115.700 0.155 0.000 2.428 538 S HA -0.003 4.465 4.470 -0.003 0.000 0.230 538 S C 1.272 175.939 174.600 0.111 0.000 1.014 538 S CA 1.255 59.533 58.200 0.131 0.000 0.957 538 S CB 0.018 63.270 63.200 0.086 0.000 0.784 538 S HN 0.580 nan 8.310 nan 0.000 0.499 539 K N 0.045 120.503 120.400 0.098 0.000 2.116 539 K HA 0.024 4.342 4.320 -0.003 0.000 0.203 539 K C 2.320 178.969 176.600 0.083 0.000 1.052 539 K CA 1.227 57.562 56.287 0.081 0.000 0.952 539 K CB -0.389 32.155 32.500 0.073 0.000 0.729 539 K HN 0.387 nan 8.250 nan 0.000 0.446 540 C N 1.008 120.351 119.300 0.072 0.000 2.413 540 C HA -0.112 4.347 4.460 -0.003 0.000 0.276 540 C C 2.561 177.532 174.990 -0.031 0.000 1.248 540 C CA 0.421 59.446 59.018 0.012 0.000 1.742 540 C CB -0.689 27.013 27.740 -0.063 0.000 2.017 540 C HN 0.432 nan 8.230 nan 0.000 0.481 541 L N 1.271 122.494 121.223 -0.000 0.000 2.072 541 L HA -0.075 4.264 4.340 -0.003 0.000 0.205 541 L C 2.532 179.423 176.870 0.034 0.000 1.079 541 L CA 2.101 56.938 54.840 -0.004 0.000 0.752 541 L CB -0.954 41.204 42.059 0.165 0.000 0.906 541 L HN 0.422 nan 8.230 nan 0.000 0.436 542 E N -0.598 119.636 120.200 0.058 0.000 2.077 542 E HA -0.242 4.106 4.350 -0.003 0.000 0.193 542 E C 2.282 178.922 176.600 0.066 0.000 0.989 542 E CA 1.317 57.748 56.400 0.050 0.000 0.800 542 E CB -0.234 29.491 29.700 0.041 0.000 0.746 542 E HN 0.579 nan 8.360 nan 0.000 0.452 543 L N 0.416 121.691 121.223 0.087 0.000 2.017 543 L HA -0.158 4.180 4.340 -0.003 0.000 0.208 543 L C 2.512 179.475 176.870 0.156 0.000 1.073 543 L CA 1.519 56.434 54.840 0.125 0.000 0.745 543 L CB -0.574 41.587 42.059 0.171 0.000 0.894 543 L HN 0.258 nan 8.230 nan 0.000 0.432 544 A N 0.065 122.965 122.820 0.133 0.000 1.908 544 A HA -0.267 4.051 4.320 -0.003 0.000 0.218 544 A C 2.250 179.938 177.584 0.174 0.000 1.181 544 A CA 1.996 54.122 52.037 0.149 0.000 0.627 544 A CB -0.387 18.647 19.000 0.056 0.000 0.818 544 A HN 0.439 nan 8.150 nan 0.000 0.445 545 K N -0.972 119.498 120.400 0.116 0.000 2.001 545 K HA -0.075 4.243 4.320 -0.003 0.000 0.208 545 K C 1.844 178.577 176.600 0.222 0.000 1.048 545 K CA 1.251 57.615 56.287 0.129 0.000 0.932 545 K CB -0.390 32.150 32.500 0.066 0.000 0.715 545 K HN 0.282 nan 8.250 nan 0.000 0.437 546 L N 1.725 123.063 121.223 0.191 0.000 1.971 546 L HA -0.244 4.094 4.340 -0.003 0.000 0.215 546 L C 2.114 179.156 176.870 0.287 0.000 1.072 546 L CA 1.940 56.931 54.840 0.251 0.000 0.758 546 L CB -0.944 41.201 42.059 0.143 0.000 0.889 546 L HN 0.239 nan 8.230 nan 0.000 0.433 547 D N -1.598 118.945 120.400 0.239 0.000 2.149 547 D HA -0.281 4.357 4.640 -0.003 0.000 0.198 547 D C 2.162 178.595 176.300 0.222 0.000 0.990 547 D CA 0.889 55.029 54.000 0.235 0.000 0.839 547 D CB -0.084 40.892 40.800 0.293 0.000 0.948 547 D HN 0.223 nan 8.370 nan 0.000 0.460 548 F N 0.881 120.902 119.950 0.119 0.000 2.113 548 F HA -0.118 4.407 4.527 -0.003 0.000 0.297 548 F C 2.015 177.854 175.800 0.065 0.000 1.103 548 F CA 1.202 59.247 58.000 0.076 0.000 1.248 548 F CB -0.368 38.660 39.000 0.045 0.000 0.999 548 F HN -0.059 nan 8.300 nan 0.000 0.475 549 N N 0.874 119.799 118.700 0.375 0.000 2.120 549 N HA -0.183 4.555 4.740 -0.003 0.000 0.188 549 N C 2.094 177.620 175.510 0.026 0.000 1.024 549 N CA 1.803 54.984 53.050 0.219 0.000 0.852 549 N CB -0.534 38.086 38.487 0.222 0.000 1.003 549 N HN 0.360 nan 8.380 nan 0.000 0.424 550 I N 0.258 120.852 120.570 0.039 0.000 2.179 550 I HA -0.223 3.945 4.170 -0.003 0.000 0.242 550 I C 1.911 177.981 176.117 -0.077 0.000 1.088 550 I CA 0.910 62.194 61.300 -0.026 0.000 1.357 550 I CB -0.218 37.813 38.000 0.051 0.000 1.051 550 I HN -0.061 nan 8.210 nan 0.000 0.409 551 V N 0.288 120.136 119.914 -0.110 0.000 2.453 551 V HA -0.281 3.837 4.120 -0.003 0.000 0.247 551 V C 2.422 178.238 176.094 -0.464 0.000 1.048 551 V CA 1.730 63.873 62.300 -0.262 0.000 1.049 551 V CB -0.775 30.920 31.823 -0.214 0.000 0.672 551 V HN 0.501 nan 8.190 nan 0.000 0.457 552 Q N 1.014 120.626 119.800 -0.313 0.000 2.096 552 Q HA -0.252 4.087 4.340 -0.003 0.000 0.204 552 Q C 2.355 178.360 176.000 0.008 0.000 0.982 552 Q CA 2.461 58.205 55.803 -0.099 0.000 0.850 552 Q CB -0.173 28.609 28.738 0.074 0.000 0.901 552 Q HN 0.786 nan 8.270 nan 0.000 0.422 553 S N -0.189 115.489 115.700 -0.036 0.000 2.453 553 S HA -0.061 4.407 4.470 -0.003 0.000 0.231 553 S C 1.892 176.485 174.600 -0.012 0.000 1.005 553 S CA 0.664 58.856 58.200 -0.012 0.000 0.949 553 S CB -0.351 62.818 63.200 -0.052 0.000 0.774 553 S HN 0.424 nan 8.310 nan 0.000 0.510 554 L N 0.494 121.682 121.223 -0.059 0.000 2.156 554 L HA -0.029 4.309 4.340 -0.003 0.000 0.208 554 L C 2.663 179.589 176.870 0.093 0.000 1.095 554 L CA 1.482 56.311 54.840 -0.019 0.000 0.770 554 L CB -0.785 41.238 42.059 -0.059 0.000 0.914 554 L HN 0.431 nan 8.230 nan 0.000 0.439 555 H N -0.650 118.494 119.070 0.123 0.000 2.363 555 H HA -0.132 4.422 4.556 -0.003 0.000 0.301 555 H C 2.353 177.660 175.328 -0.036 0.000 1.074 555 H CA 0.803 56.944 56.048 0.154 0.000 1.354 555 H CB 0.163 30.159 29.762 0.391 0.000 1.397 555 H HN 0.348 nan 8.280 nan 0.000 0.516 556 Q N 0.562 120.447 119.800 0.142 0.000 2.077 556 Q HA -0.223 4.115 4.340 -0.003 0.000 0.206 556 Q C 2.147 178.134 176.000 -0.021 0.000 0.989 556 Q CA 1.664 57.492 55.803 0.041 0.000 0.853 556 Q CB 0.039 28.818 28.738 0.068 0.000 0.907 556 Q HN 0.337 nan 8.270 nan 0.000 0.418 557 E N 0.601 120.802 120.200 0.002 0.000 2.106 557 E HA -0.167 4.181 4.350 -0.003 0.000 0.192 557 E C 1.587 178.163 176.600 -0.040 0.000 0.984 557 E CA 1.113 57.507 56.400 -0.010 0.000 0.806 557 E CB 0.113 29.817 29.700 0.006 0.000 0.750 557 E HN 0.342 nan 8.360 nan 0.000 0.458 558 E N -0.089 120.077 120.200 -0.056 0.000 2.031 558 E HA -0.179 4.169 4.350 -0.003 0.000 0.193 558 E C 2.223 178.654 176.600 -0.283 0.000 0.994 558 E CA 1.032 57.359 56.400 -0.121 0.000 0.800 558 E CB -0.229 29.441 29.700 -0.050 0.000 0.752 558 E HN 0.242 nan 8.360 nan 0.000 0.447 559 L N 1.137 122.076 121.223 -0.473 0.000 2.042 559 L HA -0.250 4.088 4.340 -0.003 0.000 0.210 559 L C 2.664 179.426 176.870 -0.180 0.000 1.076 559 L CA 1.317 55.880 54.840 -0.461 0.000 0.749 559 L CB -0.333 41.453 42.059 -0.455 0.000 0.893 559 L HN 0.097 nan 8.230 nan 0.000 0.432 560 K N 0.327 120.663 120.400 -0.106 0.000 2.009 560 K HA -0.208 4.110 4.320 -0.003 0.000 0.210 560 K C 2.182 178.787 176.600 0.009 0.000 1.049 560 K CA 1.392 57.661 56.287 -0.028 0.000 0.929 560 K CB -0.136 32.357 32.500 -0.012 0.000 0.714 560 K HN 0.208 nan 8.250 nan 0.000 0.440 561 L N 0.881 122.104 121.223 -0.000 0.000 2.013 561 L HA -0.258 4.080 4.340 -0.003 0.000 0.212 561 L C 2.422 179.357 176.870 0.108 0.000 1.073 561 L CA 1.347 56.213 54.840 0.044 0.000 0.753 561 L CB -0.344 41.722 42.059 0.011 0.000 0.890 561 L HN 0.307 nan 8.230 nan 0.000 0.432 562 L N -1.314 119.943 121.223 0.057 0.000 2.005 562 L HA -0.206 4.132 4.340 -0.003 0.000 0.207 562 L C 2.577 179.624 176.870 0.295 0.000 1.072 562 L CA 1.583 56.515 54.840 0.153 0.000 0.744 562 L CB -0.829 41.238 42.059 0.013 0.000 0.895 562 L HN 0.206 nan 8.230 nan 0.000 0.433 563 T N -0.760 113.886 114.554 0.153 0.000 2.665 563 T HA -0.285 4.063 4.350 -0.003 0.000 0.268 563 T C 2.036 176.866 174.700 0.217 0.000 1.035 563 T CA 1.611 63.814 62.100 0.171 0.000 1.151 563 T CB -0.229 68.687 68.868 0.079 0.000 0.862 563 T HN 0.219 nan 8.240 nan 0.000 0.438 564 R N -0.760 119.846 120.500 0.177 0.000 2.080 564 R HA -0.150 4.188 4.340 -0.003 0.000 0.236 564 R C 2.336 178.756 176.300 0.201 0.000 1.137 564 R CA 1.979 58.170 56.100 0.153 0.000 0.943 564 R CB -0.424 29.951 30.300 0.125 0.000 0.846 564 R HN 0.596 nan 8.270 nan 0.000 0.431 565 W N 0.216 121.573 121.300 0.094 0.000 2.363 565 W HA -0.222 4.436 4.660 -0.003 0.000 0.296 565 W C 1.904 178.512 176.519 0.149 0.000 1.212 565 W CA 1.081 58.487 57.345 0.102 0.000 1.260 565 W CB -0.539 28.985 29.460 0.107 0.000 1.131 565 W HN 0.256 nan 8.180 nan 0.000 0.530 566 W N 1.845 123.076 121.300 -0.114 0.000 2.363 566 W HA -0.197 4.461 4.660 -0.003 0.000 0.296 566 W C 1.874 178.197 176.519 -0.327 0.000 1.212 566 W CA 1.860 58.957 57.345 -0.414 0.000 1.260 566 W CB -0.236 29.184 29.460 -0.067 0.000 1.131 566 W HN -0.069 nan 8.180 nan 0.000 0.530 567 K N 0.212 120.558 120.400 -0.090 0.000 2.062 567 K HA -0.166 4.152 4.320 -0.003 0.000 0.205 567 K C 1.805 178.268 176.600 -0.228 0.000 1.051 567 K CA 1.664 57.860 56.287 -0.151 0.000 0.941 567 K CB -0.292 32.195 32.500 -0.022 0.000 0.719 567 K HN 0.160 nan 8.250 nan 0.000 0.440 568 E N 0.433 120.517 120.200 -0.194 0.000 2.158 568 E HA -0.099 4.249 4.350 -0.003 0.000 0.191 568 E C 1.954 178.400 176.600 -0.256 0.000 0.982 568 E CA 1.064 57.363 56.400 -0.168 0.000 0.823 568 E CB 0.111 29.767 29.700 -0.072 0.000 0.766 568 E HN 0.258 nan 8.360 nan 0.000 0.468 569 S N -0.202 115.228 115.700 -0.451 0.000 2.442 569 S HA -0.077 4.392 4.470 -0.003 0.000 0.236 569 S C 1.800 176.150 174.600 -0.417 0.000 1.007 569 S CA 0.869 58.767 58.200 -0.502 0.000 0.965 569 S CB -0.247 62.400 63.200 -0.922 0.000 0.773 569 S HN 0.404 nan 8.310 nan 0.000 0.504 570 G N 0.399 108.935 108.800 -0.439 0.000 2.157 570 G HA2 -0.240 3.718 3.960 -0.003 0.000 0.248 570 G HA3 -0.240 3.718 3.960 -0.003 0.000 0.248 570 G C 0.680 175.280 174.900 -0.501 0.000 0.979 570 G CA 0.457 45.337 45.100 -0.367 0.000 0.650 570 G HN 0.386 nan 8.290 nan 0.000 0.529 571 M N 0.401 119.496 119.600 -0.841 0.000 2.319 571 M HA 0.258 4.736 4.480 -0.003 0.000 0.265 571 M C 2.822 178.479 176.300 -1.072 0.000 1.068 571 M CA 1.580 56.188 55.300 -1.154 0.000 1.118 571 M CB -1.338 29.998 32.600 -2.105 0.000 1.395 571 M HN 0.628 nan 8.290 nan 0.000 0.435 572 A N 0.575 122.796 122.820 -0.998 0.000 1.902 572 A HA -0.172 4.146 4.320 -0.003 0.000 0.217 572 A C 1.529 178.981 177.584 -0.220 0.000 1.181 572 A CA 2.004 53.777 52.037 -0.440 0.000 0.623 572 A CB -0.916 17.932 19.000 -0.254 0.000 0.818 572 A HN 0.441 nan 8.150 nan 0.000 0.443 573 D N -0.368 119.885 120.400 -0.245 0.000 2.371 573 D HA 0.089 4.727 4.640 -0.003 0.000 0.234 573 D C 0.136 176.353 176.300 -0.139 0.000 1.049 573 D CA 0.349 54.258 54.000 -0.152 0.000 0.907 573 D CB -0.191 40.524 40.800 -0.142 0.000 0.891 573 D HN 0.446 nan 8.370 nan 0.000 0.531 574 I N 2.789 123.257 120.570 -0.171 0.000 2.269 574 I HA 0.033 4.202 4.170 -0.003 0.000 0.293 574 I C 0.567 176.626 176.117 -0.097 0.000 1.106 574 I CA -0.848 60.361 61.300 -0.151 0.000 1.248 574 I CB 0.030 37.917 38.000 -0.189 0.000 1.444 574 I HN 0.010 nan 8.210 nan 0.000 0.497 581 V N -1.703 118.057 119.914 -0.257 0.000 2.295 581 V HA -0.069 4.050 4.120 -0.003 0.000 0.246 581 V C 2.033 178.125 176.094 -0.003 0.000 1.049 581 V CA 2.147 64.330 62.300 -0.196 0.000 1.024 581 V CB -0.652 31.062 31.823 -0.182 0.000 0.648 581 V HN 0.221 nan 8.190 nan 0.000 0.447 582 A N 0.401 123.240 122.820 0.032 0.000 1.933 582 A HA -0.190 4.128 4.320 -0.003 0.000 0.218 582 A C 2.127 179.877 177.584 0.275 0.000 1.175 582 A CA 1.904 54.023 52.037 0.137 0.000 0.628 582 A CB -0.644 18.417 19.000 0.102 0.000 0.814 582 A HN 0.733 nan 8.150 nan 0.000 0.444 583 E N -0.362 119.968 120.200 0.215 0.000 2.072 583 E HA -0.107 4.242 4.350 -0.003 0.000 0.191 583 E C 1.978 178.791 176.600 0.355 0.000 0.985 583 E CA 1.274 57.886 56.400 0.353 0.000 0.801 583 E CB -0.275 29.584 29.700 0.266 0.000 0.750 583 E HN 0.412 nan 8.360 nan 0.000 0.452 584 V N 0.850 120.856 119.914 0.153 0.000 2.358 584 V HA -0.265 3.853 4.120 -0.003 0.000 0.246 584 V C 2.104 178.380 176.094 0.304 0.000 1.047 584 V CA 1.801 64.167 62.300 0.110 0.000 1.035 584 V CB -0.617 31.157 31.823 -0.082 0.000 0.658 584 V HN 0.290 nan 8.190 nan 0.000 0.452 585 Y N 0.533 120.940 120.300 0.177 0.000 2.165 585 Y HA -0.326 4.223 4.550 -0.003 0.000 0.286 585 Y C 2.266 178.335 175.900 0.282 0.000 1.155 585 Y CA 2.002 60.219 58.100 0.194 0.000 1.164 585 Y CB -0.528 37.949 38.460 0.029 0.000 0.978 585 Y HN 0.271 nan 8.280 nan 0.000 0.513 586 F N 0.288 120.372 119.950 0.225 0.000 2.161 586 F HA -0.188 4.337 4.527 -0.003 0.000 0.300 586 F C 2.321 178.218 175.800 0.162 0.000 1.089 586 F CA 2.010 60.179 58.000 0.281 0.000 1.282 586 F CB -0.687 38.563 39.000 0.416 0.000 1.010 586 F HN -0.036 nan 8.300 nan 0.000 0.485 587 S N -0.213 115.632 115.700 0.242 0.000 2.474 587 S HA -0.160 4.308 4.470 -0.003 0.000 0.235 587 S C 2.208 176.753 174.600 -0.091 0.000 0.997 587 S CA 0.941 59.205 58.200 0.106 0.000 0.949 587 S CB -0.667 62.670 63.200 0.227 0.000 0.766 587 S HN 0.653 nan 8.310 nan 0.000 0.517 588 S N 1.873 117.514 115.700 -0.098 0.000 2.402 588 S HA -0.125 4.343 4.470 -0.003 0.000 0.233 588 S C 1.779 176.076 174.600 -0.504 0.000 1.030 588 S CA 1.475 59.384 58.200 -0.484 0.000 1.003 588 S CB -0.633 62.413 63.200 -0.257 0.000 0.813 588 S HN 0.967 nan 8.310 nan 0.000 0.477 589 A N -0.148 122.450 122.820 -0.370 0.000 1.467 589 A HA -0.229 4.090 4.320 -0.003 0.000 0.224 589 A C 1.139 178.661 177.584 -0.103 0.000 0.419 589 A CA 1.800 53.657 52.037 -0.300 0.000 1.100 589 A CB -2.901 15.885 19.000 -0.357 0.000 1.463 589 A HN 0.839 nan 8.150 nan 0.000 0.719 590 T N 1.241 115.731 114.554 -0.107 0.000 2.825 590 T HA 0.393 4.741 4.350 -0.003 0.000 0.270 590 T C 0.800 175.571 174.700 0.118 0.000 0.919 590 T CA 0.783 62.917 62.100 0.056 0.000 1.159 590 T CB -0.598 68.361 68.868 0.152 0.000 0.889 590 T HN 0.924 nan 8.240 nan 0.000 0.565 591 F N 0.568 120.561 119.950 0.073 0.000 2.698 591 F HA 0.442 4.967 4.527 -0.003 0.000 0.295 591 F C 0.621 176.573 175.800 0.253 0.000 1.124 591 F CA -0.876 57.187 58.000 0.106 0.000 1.426 591 F CB -0.386 38.668 39.000 0.090 0.000 1.120 591 F HN 0.219 nan 8.300 nan 0.000 0.583 592 E N 3.028 122.859 120.200 -0.616 0.000 2.502 592 E HA -0.001 4.347 4.350 -0.003 0.000 0.261 592 E C -1.617 174.850 176.600 -0.222 0.000 0.974 592 E CA -0.854 55.212 56.400 -0.556 0.000 0.936 592 E CB 0.047 29.348 29.700 -0.665 0.000 0.926 592 E HN 0.079 nan 8.360 nan 0.000 0.459 593 P HA -0.222 nan 4.420 nan 0.000 0.216 593 P C 0.253 177.467 177.300 -0.142 0.000 1.154 593 P CA 1.377 64.430 63.100 -0.077 0.000 0.865 593 P CB 0.193 31.843 31.700 -0.082 0.000 0.789 594 E N -1.769 118.231 120.200 -0.334 0.000 2.401 594 E HA -0.160 4.188 4.350 -0.003 0.000 0.199 594 E C 0.791 177.243 176.600 -0.247 0.000 1.023 594 E CA 0.822 57.014 56.400 -0.348 0.000 0.859 594 E CB -0.951 28.452 29.700 -0.495 0.000 0.780 594 E HN 0.528 nan 8.360 nan 0.000 0.523 595 Y N -0.064 120.207 120.300 -0.048 0.000 2.645 595 Y HA 0.215 4.763 4.550 -0.003 0.000 0.307 595 Y C 1.976 177.868 175.900 -0.014 0.000 1.151 595 Y CA -0.631 57.435 58.100 -0.057 0.000 1.291 595 Y CB 0.398 38.809 38.460 -0.081 0.000 1.135 595 Y HN 0.020 nan 8.280 nan 0.000 0.523 596 S N 1.063 116.836 115.700 0.121 0.000 2.353 596 S HA -0.273 4.195 4.470 -0.003 0.000 0.222 596 S C 2.383 177.039 174.600 0.094 0.000 1.035 596 S CA 1.623 59.893 58.200 0.117 0.000 1.025 596 S CB -0.221 63.024 63.200 0.075 0.000 0.902 596 S HN 0.628 nan 8.310 nan 0.000 0.440 597 A N 0.321 123.174 122.820 0.054 0.000 1.902 597 A HA -0.078 4.240 4.320 -0.003 0.000 0.217 597 A C 2.362 179.951 177.584 0.007 0.000 1.181 597 A CA 2.310 54.360 52.037 0.020 0.000 0.623 597 A CB -1.569 17.432 19.000 0.001 0.000 0.818 597 A HN 0.580 nan 8.150 nan 0.000 0.443 598 T N -0.420 114.121 114.554 -0.020 0.000 2.652 598 T HA -0.178 4.170 4.350 -0.003 0.000 0.267 598 T C 2.098 176.793 174.700 -0.009 0.000 1.039 598 T CA 1.670 63.694 62.100 -0.126 0.000 1.153 598 T CB -0.256 68.422 68.868 -0.317 0.000 0.863 598 T HN 0.493 nan 8.240 nan 0.000 0.428 599 R N 0.176 120.730 120.500 0.090 0.000 2.083 599 R HA -0.005 4.333 4.340 -0.003 0.000 0.237 599 R C 2.505 178.973 176.300 0.281 0.000 1.137 599 R CA 1.362 57.598 56.100 0.227 0.000 0.951 599 R CB -0.510 29.929 30.300 0.231 0.000 0.851 599 R HN 0.422 nan 8.270 nan 0.000 0.434 600 I N 0.278 120.951 120.570 0.172 0.000 2.252 600 I HA -0.241 3.927 4.170 -0.003 0.000 0.245 600 I C 2.600 178.719 176.117 0.004 0.000 1.102 600 I CA 1.133 62.482 61.300 0.082 0.000 1.385 600 I CB -0.405 37.602 38.000 0.011 0.000 1.064 600 I HN 0.199 nan 8.210 nan 0.000 0.414 601 A N 0.984 123.817 122.820 0.022 0.000 1.877 601 A HA -0.260 4.058 4.320 -0.003 0.000 0.216 601 A C 2.274 179.912 177.584 0.090 0.000 1.186 601 A CA 1.504 53.546 52.037 0.008 0.000 0.620 601 A CB -1.064 17.947 19.000 0.018 0.000 0.822 601 A HN 0.473 nan 8.150 nan 0.000 0.443 602 F N 1.459 121.438 119.950 0.047 0.000 2.095 602 F HA -0.205 4.320 4.527 -0.003 0.000 0.298 602 F C 2.376 178.247 175.800 0.118 0.000 1.104 602 F CA 2.453 60.533 58.000 0.132 0.000 1.232 602 F CB -0.643 38.511 39.000 0.256 0.000 0.987 602 F HN 0.207 nan 8.300 nan 0.000 0.475 603 T N 0.774 115.335 114.554 0.011 0.000 2.746 603 T HA -0.189 4.160 4.350 -0.003 0.000 0.267 603 T C 1.841 176.444 174.700 -0.162 0.000 1.039 603 T CA 1.826 63.864 62.100 -0.104 0.000 1.142 603 T CB -0.258 68.710 68.868 0.167 0.000 0.866 603 T HN 0.297 nan 8.240 nan 0.000 0.444 604 K N 0.508 120.795 120.400 -0.188 0.000 2.057 604 K HA 0.071 4.389 4.320 -0.003 0.000 0.206 604 K C 2.219 178.837 176.600 0.030 0.000 1.050 604 K CA 1.038 57.155 56.287 -0.283 0.000 0.935 604 K CB -0.261 31.773 32.500 -0.777 0.000 0.715 604 K HN 0.317 nan 8.250 nan 0.000 0.439 605 I N 0.636 121.222 120.570 0.027 0.000 2.202 605 I HA -0.173 3.995 4.170 -0.003 0.000 0.242 605 I C 2.514 178.678 176.117 0.078 0.000 1.091 605 I CA 1.293 62.716 61.300 0.205 0.000 1.368 605 I CB -0.574 37.590 38.000 0.273 0.000 1.058 605 I HN 0.277 nan 8.210 nan 0.000 0.410 606 G N -0.042 108.635 108.800 -0.204 0.000 2.418 606 G HA2 -0.249 3.709 3.960 -0.003 0.000 0.217 606 G HA3 -0.249 3.709 3.960 -0.003 0.000 0.217 606 G C 1.706 176.509 174.900 -0.162 0.000 1.158 606 G CA 0.972 45.906 45.100 -0.276 0.000 0.771 606 G HN 0.406 nan 8.290 nan 0.000 0.545 607 C N 0.168 119.373 119.300 -0.157 0.000 2.425 607 C HA 0.086 4.545 4.460 -0.003 0.000 0.277 607 C C 2.879 177.851 174.990 -0.031 0.000 1.280 607 C CA 0.442 59.327 59.018 -0.222 0.000 1.744 607 C CB -0.992 26.502 27.740 -0.410 0.000 1.989 607 C HN 0.428 nan 8.230 nan 0.000 0.491 608 L N -0.055 121.226 121.223 0.097 0.000 2.141 608 L HA -0.175 4.163 4.340 -0.003 0.000 0.209 608 L C 2.737 179.288 176.870 -0.531 0.000 1.094 608 L CA 1.327 56.068 54.840 -0.166 0.000 0.763 608 L CB -0.642 41.391 42.059 -0.043 0.000 0.908 608 L HN 0.459 nan 8.230 nan 0.000 0.437 609 Q N -0.747 119.003 119.800 -0.083 0.000 2.172 609 Q HA -0.136 4.203 4.340 -0.003 0.000 0.200 609 Q C 2.317 178.406 176.000 0.148 0.000 0.964 609 Q CA 1.076 56.980 55.803 0.169 0.000 0.855 609 Q CB 0.112 28.949 28.738 0.165 0.000 0.918 609 Q HN 0.351 nan 8.270 nan 0.000 0.444 610 V N 1.144 121.072 119.914 0.023 0.000 2.427 610 V HA -0.245 3.873 4.120 -0.003 0.000 0.248 610 V C 2.096 178.217 176.094 0.044 0.000 1.051 610 V CA 1.347 63.661 62.300 0.023 0.000 1.048 610 V CB -0.425 31.367 31.823 -0.052 0.000 0.666 610 V HN 0.386 nan 8.190 nan 0.000 0.456 611 L N -0.825 120.405 121.223 0.012 0.000 2.027 611 L HA -0.125 4.213 4.340 -0.003 0.000 0.206 611 L C 2.410 179.330 176.870 0.083 0.000 1.074 611 L CA 1.828 56.680 54.840 0.020 0.000 0.745 611 L CB -0.318 41.744 42.059 0.004 0.000 0.898 611 L HN 0.239 nan 8.230 nan 0.000 0.433 612 F N 0.227 120.261 119.950 0.140 0.000 2.161 612 F HA -0.307 4.218 4.527 -0.003 0.000 0.300 612 F C 2.331 178.108 175.800 -0.039 0.000 1.089 612 F CA 1.012 59.066 58.000 0.091 0.000 1.282 612 F CB -0.363 38.805 39.000 0.279 0.000 1.010 612 F HN 0.313 nan 8.300 nan 0.000 0.485 613 D N 0.687 121.221 120.400 0.224 0.000 2.087 613 D HA -0.208 4.430 4.640 -0.003 0.000 0.192 613 D C 1.674 177.903 176.300 -0.118 0.000 0.993 613 D CA 1.816 55.802 54.000 -0.024 0.000 0.828 613 D CB -0.292 40.591 40.800 0.138 0.000 0.968 613 D HN 0.042 nan 8.370 nan 0.000 0.448 614 D N -0.473 119.922 120.400 -0.008 0.000 2.221 614 D HA -0.153 4.486 4.640 -0.003 0.000 0.204 614 D C 1.982 178.292 176.300 0.016 0.000 0.982 614 D CA 0.439 54.442 54.000 0.004 0.000 0.857 614 D CB -0.324 40.492 40.800 0.028 0.000 0.934 614 D HN 0.379 nan 8.370 nan 0.000 0.475 615 M N 0.171 119.774 119.600 0.004 0.000 2.132 615 M HA -0.098 4.381 4.480 -0.003 0.000 0.263 615 M C 1.912 178.184 176.300 -0.046 0.000 1.065 615 M CA 1.375 56.701 55.300 0.044 0.000 1.122 615 M CB 0.183 32.792 32.600 0.015 0.000 1.365 615 M HN -0.003 nan 8.290 nan 0.000 0.411 616 A N 0.228 122.897 122.820 -0.251 0.000 2.016 616 A HA -0.116 4.202 4.320 -0.003 0.000 0.217 616 A C 1.282 178.708 177.584 -0.264 0.000 1.162 616 A CA 1.736 53.532 52.037 -0.402 0.000 0.662 616 A CB -0.454 17.867 19.000 -1.131 0.000 0.812 616 A HN 0.737 nan 8.150 nan 0.000 0.450 617 D N -2.621 117.663 120.400 -0.193 0.000 2.469 617 D HA 0.281 4.919 4.640 -0.003 0.000 0.213 617 D C 0.841 177.136 176.300 -0.008 0.000 1.135 617 D CA -0.003 53.951 54.000 -0.078 0.000 0.834 617 D CB 0.076 40.844 40.800 -0.052 0.000 1.009 617 D HN 0.409 nan 8.370 nan 0.000 0.507 618 I N -1.432 119.147 120.570 0.015 0.000 3.620 618 I HA 0.189 4.357 4.170 -0.003 0.000 0.255 618 I C 1.269 177.440 176.117 0.089 0.000 1.124 618 I CA -0.401 60.933 61.300 0.058 0.000 1.526 618 I CB 0.017 38.066 38.000 0.081 0.000 1.681 618 I HN -0.082 nan 8.210 nan 0.000 0.420 619 F N 2.581 122.515 119.950 -0.027 0.000 2.022 619 F HA 0.208 4.733 4.527 -0.003 0.000 0.293 619 F C 1.635 177.424 175.800 -0.017 0.000 1.142 619 F CA 0.881 58.872 58.000 -0.016 0.000 1.177 619 F CB -0.127 38.867 39.000 -0.010 0.000 0.982 619 F HN -0.015 nan 8.300 nan 0.000 0.473 620 A N 0.453 123.297 122.820 0.040 0.000 2.425 620 A HA 0.353 4.672 4.320 -0.003 0.000 0.242 620 A C 0.342 177.865 177.584 -0.100 0.000 1.077 620 A CA 0.101 52.098 52.037 -0.067 0.000 0.781 620 A CB -0.395 18.642 19.000 0.062 0.000 1.020 620 A HN 0.508 nan 8.150 nan 0.000 0.494 621 T N -0.032 114.458 114.554 -0.108 0.000 2.816 621 T HA 0.334 4.682 4.350 -0.003 0.000 0.282 621 T C 1.264 175.943 174.700 -0.034 0.000 0.993 621 T CA -0.272 61.786 62.100 -0.069 0.000 0.994 621 T CB 0.464 69.290 68.868 -0.070 0.000 1.025 621 T HN 0.516 nan 8.240 nan 0.000 0.529 622 L N 0.042 121.252 121.223 -0.021 0.000 2.017 622 L HA -0.090 4.248 4.340 -0.003 0.000 0.208 622 L C 2.249 179.115 176.870 -0.006 0.000 1.073 622 L CA 1.817 56.652 54.840 -0.009 0.000 0.745 622 L CB -0.489 41.569 42.059 -0.001 0.000 0.894 622 L HN 0.725 nan 8.230 nan 0.000 0.432 623 D N -0.206 120.187 120.400 -0.012 0.000 2.144 623 D HA -0.201 4.438 4.640 -0.003 0.000 0.199 623 D C 2.043 178.337 176.300 -0.011 0.000 0.984 623 D CA 1.155 55.147 54.000 -0.014 0.000 0.834 623 D CB 0.003 40.792 40.800 -0.019 0.000 0.955 623 D HN 0.471 nan 8.370 nan 0.000 0.465 624 E N 0.394 120.590 120.200 -0.007 0.000 2.072 624 E HA -0.092 4.256 4.350 -0.003 0.000 0.191 624 E C 2.291 178.926 176.600 0.058 0.000 0.985 624 E CA 0.154 56.565 56.400 0.018 0.000 0.801 624 E CB -0.022 29.689 29.700 0.019 0.000 0.750 624 E HN 0.219 nan 8.360 nan 0.000 0.452 625 L N 1.126 122.376 121.223 0.044 0.000 2.012 625 L HA -0.241 4.097 4.340 -0.003 0.000 0.210 625 L C 2.197 179.118 176.870 0.084 0.000 1.073 625 L CA 1.554 56.434 54.840 0.067 0.000 0.748 625 L CB -0.129 41.951 42.059 0.034 0.000 0.891 625 L HN 0.090 nan 8.230 nan 0.000 0.431 626 K N -0.965 119.459 120.400 0.039 0.000 2.097 626 K HA -0.185 4.133 4.320 -0.003 0.000 0.206 626 K C 2.263 178.859 176.600 -0.006 0.000 1.049 626 K CA 1.555 57.853 56.287 0.019 0.000 0.933 626 K CB -0.170 32.329 32.500 -0.001 0.000 0.717 626 K HN 0.242 nan 8.250 nan 0.000 0.442 627 S N 0.394 116.082 115.700 -0.020 0.000 2.368 627 S HA -0.144 4.324 4.470 -0.003 0.000 0.224 627 S C 1.793 176.321 174.600 -0.121 0.000 1.029 627 S CA 0.759 58.906 58.200 -0.088 0.000 0.988 627 S CB -0.288 62.844 63.200 -0.114 0.000 0.838 627 S HN 0.300 nan 8.310 nan 0.000 0.462 628 F N 2.513 122.350 119.950 -0.189 0.000 2.046 628 F HA -0.097 4.428 4.527 -0.003 0.000 0.297 628 F C 2.930 178.529 175.800 -0.334 0.000 1.123 628 F CA 2.401 60.255 58.000 -0.243 0.000 1.199 628 F CB -1.143 37.744 39.000 -0.187 0.000 0.972 628 F HN 0.418 nan 8.300 nan 0.000 0.474 629 T N -1.799 112.730 114.554 -0.041 0.000 2.803 629 T HA -0.253 4.096 4.350 -0.003 0.000 0.269 629 T C 1.833 176.475 174.700 -0.095 0.000 1.052 629 T CA 1.654 63.657 62.100 -0.161 0.000 1.136 629 T CB -0.520 68.387 68.868 0.064 0.000 0.864 629 T HN 0.358 nan 8.240 nan 0.000 0.467 630 E N 1.352 121.505 120.200 -0.077 0.000 2.110 630 E HA 0.057 4.406 4.350 -0.003 0.000 0.193 630 E C 2.345 178.889 176.600 -0.092 0.000 0.988 630 E CA 1.577 57.938 56.400 -0.065 0.000 0.804 630 E CB -1.154 28.500 29.700 -0.077 0.000 0.745 630 E HN 0.623 nan 8.360 nan 0.000 0.458 631 G N -0.169 108.511 108.800 -0.200 0.000 2.422 631 G HA2 -0.191 3.767 3.960 -0.003 0.000 0.218 631 G HA3 -0.191 3.767 3.960 -0.003 0.000 0.218 631 G C 1.659 176.608 174.900 0.083 0.000 1.140 631 G CA 0.953 45.921 45.100 -0.220 0.000 0.775 631 G HN 0.254 nan 8.290 nan 0.000 0.545 632 V N 0.802 120.707 119.914 -0.015 0.000 2.323 632 V HA -0.109 4.009 4.120 -0.003 0.000 0.244 632 V C 2.624 178.897 176.094 0.298 0.000 1.041 632 V CA 2.097 64.413 62.300 0.026 0.000 1.025 632 V CB -0.383 31.262 31.823 -0.296 0.000 0.656 632 V HN 0.434 nan 8.190 nan 0.000 0.451 633 K N 0.163 120.672 120.400 0.181 0.000 2.152 633 K HA -0.197 4.121 4.320 -0.003 0.000 0.206 633 K C 2.315 179.044 176.600 0.215 0.000 1.048 633 K CA 1.559 57.967 56.287 0.202 0.000 0.933 633 K CB -0.087 32.479 32.500 0.111 0.000 0.721 633 K HN 0.343 nan 8.250 nan 0.000 0.447 634 R N -0.911 119.692 120.500 0.172 0.000 2.153 634 R HA -0.090 4.248 4.340 -0.003 0.000 0.218 634 R C 0.170 176.656 176.300 0.310 0.000 1.072 634 R CA 0.573 56.769 56.100 0.161 0.000 0.990 634 R CB 0.012 30.342 30.300 0.050 0.000 0.889 634 R HN 0.409 nan 8.270 nan 0.000 0.452 635 W N 2.760 124.143 121.300 0.138 0.000 5.963 635 W HA -0.265 4.393 4.660 -0.003 0.000 0.400 635 W C -1.384 175.193 176.519 0.095 0.000 1.530 635 W CA 1.429 58.920 57.345 0.243 0.000 1.004 635 W CB -1.387 28.227 29.460 0.258 0.000 2.706 635 W HN 0.340 nan 8.180 nan 0.000 1.495 636 D N -2.247 118.050 120.400 -0.170 0.000 2.759 636 D HA 0.386 5.024 4.640 -0.003 0.000 0.321 636 D C 0.638 176.623 176.300 -0.524 0.000 1.267 636 D CA 0.235 53.950 54.000 -0.475 0.000 0.933 636 D CB 0.248 40.977 40.800 -0.118 0.000 1.431 636 D HN -0.160 nan 8.370 nan 0.000 0.504 637 T N -2.968 111.312 114.554 -0.457 0.000 3.223 637 T HA 0.183 4.532 4.350 -0.003 0.000 0.259 637 T C 1.153 175.672 174.700 -0.303 0.000 1.015 637 T CA 0.344 62.211 62.100 -0.389 0.000 0.908 637 T CB -0.772 67.950 68.868 -0.243 0.000 1.054 637 T HN 0.437 nan 8.240 nan 0.000 0.567 638 S N 1.055 116.610 115.700 -0.243 0.000 2.507 638 S HA 0.128 4.596 4.470 -0.003 0.000 0.235 638 S C 1.366 175.881 174.600 -0.142 0.000 0.988 638 S CA 0.170 58.287 58.200 -0.139 0.000 0.944 638 S CB -0.559 62.589 63.200 -0.087 0.000 0.762 638 S HN 0.605 nan 8.310 nan 0.000 0.526 639 L N 0.543 121.569 121.223 -0.329 0.000 2.959 639 L HA 0.399 4.738 4.340 -0.003 0.000 0.259 639 L C 1.363 177.888 176.870 -0.575 0.000 1.185 639 L CA -0.062 54.509 54.840 -0.449 0.000 0.998 639 L CB -0.002 41.791 42.059 -0.444 0.000 1.337 639 L HN 0.261 nan 8.230 nan 0.000 0.555 640 L N 0.478 121.420 121.223 -0.467 0.000 2.127 640 L HA -0.251 4.088 4.340 -0.003 0.000 0.211 640 L C 2.796 179.514 176.870 -0.254 0.000 1.089 640 L CA 1.447 56.050 54.840 -0.396 0.000 0.757 640 L CB -0.718 41.182 42.059 -0.265 0.000 0.899 640 L HN 0.580 nan 8.230 nan 0.000 0.434 641 H N -0.082 118.890 119.070 -0.163 0.000 2.456 641 H HA -0.148 4.406 4.556 -0.003 0.000 0.296 641 H C 1.145 176.419 175.328 -0.090 0.000 1.079 641 H CA 1.153 57.138 56.048 -0.106 0.000 1.322 641 H CB -0.304 29.404 29.762 -0.088 0.000 1.388 641 H HN 0.501 nan 8.280 nan 0.000 0.538 642 E N 1.090 120.944 120.200 -0.576 0.000 2.494 642 E HA 0.184 4.532 4.350 -0.003 0.000 0.193 642 E C 0.360 176.858 176.600 -0.170 0.000 1.074 642 E CA 0.118 56.302 56.400 -0.360 0.000 0.867 642 E CB 0.121 29.551 29.700 -0.450 0.000 0.924 642 E HN 0.649 nan 8.360 nan 0.000 0.502 643 I N -3.963 116.534 120.570 -0.122 0.000 2.894 643 I HA 0.474 4.643 4.170 -0.003 0.000 0.302 643 I C -2.835 173.297 176.117 0.025 0.000 1.188 643 I CA -3.268 58.015 61.300 -0.028 0.000 1.014 643 I CB 1.704 39.707 38.000 0.005 0.000 1.242 643 I HN -0.358 nan 8.210 nan 0.000 0.430 644 P HA -0.074 nan 4.420 nan 0.000 0.271 644 P C 0.464 177.827 177.300 0.105 0.000 1.212 644 P CA 0.167 63.335 63.100 0.112 0.000 0.788 644 P CB 0.574 32.405 31.700 0.217 0.000 0.865 645 E N 0.656 120.908 120.200 0.088 0.000 2.106 645 E HA -0.215 4.133 4.350 -0.003 0.000 0.192 645 E C 1.594 178.232 176.600 0.063 0.000 0.984 645 E CA 1.692 58.128 56.400 0.060 0.000 0.806 645 E CB -0.222 29.503 29.700 0.041 0.000 0.750 645 E HN 0.633 nan 8.360 nan 0.000 0.458 646 C N -0.089 119.253 119.300 0.070 0.000 2.440 646 C HA 0.027 4.486 4.460 -0.003 0.000 0.278 646 C C 2.622 177.647 174.990 0.058 0.000 1.295 646 C CA 0.348 59.371 59.018 0.009 0.000 1.738 646 C CB -1.006 26.673 27.740 -0.102 0.000 1.987 646 C HN 0.369 nan 8.230 nan 0.000 0.492 647 M N 0.707 120.396 119.600 0.147 0.000 2.254 647 M HA -0.120 4.358 4.480 -0.003 0.000 0.265 647 M C 2.674 179.169 176.300 0.326 0.000 1.066 647 M CA 1.495 56.964 55.300 0.281 0.000 1.123 647 M CB -0.518 32.290 32.600 0.347 0.000 1.388 647 M HN 0.502 nan 8.290 nan 0.000 0.425 648 Q N -0.443 119.459 119.800 0.170 0.000 2.096 648 Q HA -0.152 4.187 4.340 -0.003 0.000 0.204 648 Q C 1.982 178.076 176.000 0.156 0.000 0.982 648 Q CA 1.980 57.844 55.803 0.102 0.000 0.850 648 Q CB -0.404 28.352 28.738 0.029 0.000 0.901 648 Q HN 0.526 nan 8.270 nan 0.000 0.422 649 T N 0.511 115.140 114.554 0.125 0.000 2.708 649 T HA -0.169 4.180 4.350 -0.003 0.000 0.266 649 T C 2.155 176.954 174.700 0.165 0.000 1.037 649 T CA 1.298 63.455 62.100 0.094 0.000 1.146 649 T CB -0.527 68.349 68.868 0.013 0.000 0.865 649 T HN 0.370 nan 8.240 nan 0.000 0.435 650 C N 0.893 120.331 119.300 0.229 0.000 2.413 650 C HA -0.057 4.402 4.460 -0.003 0.000 0.276 650 C C 2.346 177.668 174.990 0.554 0.000 1.248 650 C CA 0.154 59.385 59.018 0.355 0.000 1.742 650 C CB -1.501 26.491 27.740 0.420 0.000 2.017 650 C HN 0.548 nan 8.230 nan 0.000 0.481 651 F N 1.725 121.912 119.950 0.395 0.000 2.171 651 F HA -0.120 4.405 4.527 -0.003 0.000 0.300 651 F C 2.321 178.276 175.800 0.259 0.000 1.090 651 F CA 1.659 59.775 58.000 0.193 0.000 1.293 651 F CB -0.284 38.525 39.000 -0.319 0.000 1.013 651 F HN 0.178 nan 8.300 nan 0.000 0.486 652 K N -0.598 120.041 120.400 0.398 0.000 2.116 652 K HA -0.051 4.268 4.320 -0.003 0.000 0.203 652 K C 2.016 178.745 176.600 0.214 0.000 1.052 652 K CA 1.199 57.657 56.287 0.285 0.000 0.952 652 K CB -0.353 32.258 32.500 0.185 0.000 0.729 652 K HN 0.128 nan 8.250 nan 0.000 0.446 653 V N 0.545 120.583 119.914 0.207 0.000 2.343 653 V HA -0.240 3.878 4.120 -0.003 0.000 0.247 653 V C 1.924 178.173 176.094 0.258 0.000 1.051 653 V CA 1.775 64.185 62.300 0.183 0.000 1.036 653 V CB -0.434 31.451 31.823 0.103 0.000 0.654 653 V HN 0.494 nan 8.190 nan 0.000 0.451 654 W N 0.120 121.489 121.300 0.114 0.000 2.378 654 W HA -0.222 4.436 4.660 -0.003 0.000 0.313 654 W C 2.316 178.745 176.519 -0.150 0.000 1.197 654 W CA 1.697 59.069 57.345 0.046 0.000 1.304 654 W CB -0.627 28.903 29.460 0.118 0.000 1.148 654 W HN 0.267 nan 8.180 nan 0.000 0.494 655 F N 1.844 121.493 119.950 -0.500 0.000 2.095 655 F HA -0.242 4.283 4.527 -0.003 0.000 0.298 655 F C 2.744 178.214 175.800 -0.549 0.000 1.104 655 F CA 2.725 60.174 58.000 -0.918 0.000 1.232 655 F CB -0.607 38.073 39.000 -0.532 0.000 0.987 655 F HN -0.109 nan 8.300 nan 0.000 0.475 656 K N 0.388 120.674 120.400 -0.189 0.000 2.044 656 K HA -0.267 4.051 4.320 -0.003 0.000 0.210 656 K C 2.120 178.597 176.600 -0.205 0.000 1.049 656 K CA 1.952 58.148 56.287 -0.152 0.000 0.927 656 K CB -0.596 31.913 32.500 0.014 0.000 0.713 656 K HN 0.385 nan 8.250 nan 0.000 0.443 657 L N 1.090 122.217 121.223 -0.159 0.000 2.046 657 L HA -0.175 4.164 4.340 -0.003 0.000 0.208 657 L C 2.258 178.952 176.870 -0.294 0.000 1.077 657 L CA 1.616 56.373 54.840 -0.138 0.000 0.747 657 L CB -0.413 41.646 42.059 0.001 0.000 0.896 657 L HN 0.266 nan 8.230 nan 0.000 0.432 658 M N -0.398 118.851 119.600 -0.585 0.000 2.106 658 M HA -0.265 4.214 4.480 -0.003 0.000 0.259 658 M C 2.271 178.360 176.300 -0.352 0.000 1.068 658 M CA 1.835 56.793 55.300 -0.571 0.000 1.100 658 M CB -1.400 30.548 32.600 -1.086 0.000 1.351 658 M HN 0.507 nan 8.290 nan 0.000 0.404 659 E N 0.279 120.216 120.200 -0.439 0.000 2.072 659 E HA -0.191 4.157 4.350 -0.003 0.000 0.191 659 E C 1.796 178.299 176.600 -0.161 0.000 0.985 659 E CA 1.188 57.414 56.400 -0.290 0.000 0.801 659 E CB 0.109 29.619 29.700 -0.317 0.000 0.750 659 E HN 0.588 nan 8.360 nan 0.000 0.452 660 E N -0.037 120.077 120.200 -0.144 0.000 2.051 660 E HA -0.157 4.191 4.350 -0.003 0.000 0.192 660 E C 2.242 178.796 176.600 -0.077 0.000 0.991 660 E CA 1.300 57.646 56.400 -0.091 0.000 0.799 660 E CB 0.080 29.734 29.700 -0.077 0.000 0.748 660 E HN 0.131 nan 8.360 nan 0.000 0.449 661 V N 1.809 121.673 119.914 -0.084 0.000 2.358 661 V HA -0.258 3.860 4.120 -0.003 0.000 0.246 661 V C 1.765 177.836 176.094 -0.037 0.000 1.047 661 V CA 1.853 64.122 62.300 -0.052 0.000 1.035 661 V CB -0.582 31.223 31.823 -0.029 0.000 0.658 661 V HN 0.287 nan 8.190 nan 0.000 0.452 662 N N 0.327 119.000 118.700 -0.043 0.000 2.244 662 N HA -0.157 4.581 4.740 -0.003 0.000 0.183 662 N C 1.622 177.108 175.510 -0.039 0.000 1.016 662 N CA 1.035 54.066 53.050 -0.032 0.000 0.866 662 N CB -0.150 38.320 38.487 -0.029 0.000 0.980 662 N HN 0.452 nan 8.380 nan 0.000 0.430 663 N N 1.253 119.924 118.700 -0.048 0.000 2.166 663 N HA -0.114 4.624 4.740 -0.003 0.000 0.186 663 N C 0.914 176.404 175.510 -0.033 0.000 1.019 663 N CA 1.085 54.111 53.050 -0.040 0.000 0.856 663 N CB -0.232 38.230 38.487 -0.042 0.000 0.993 663 N HN 0.234 nan 8.380 nan 0.000 0.426 664 D N 0.019 120.398 120.400 -0.035 0.000 2.149 664 D HA -0.029 4.609 4.640 -0.003 0.000 0.201 664 D C 2.070 178.352 176.300 -0.029 0.000 0.972 664 D CA 0.330 54.312 54.000 -0.031 0.000 0.835 664 D CB -0.188 40.592 40.800 -0.032 0.000 0.966 664 D HN -0.026 nan 8.370 nan 0.000 0.476 665 V N 0.698 120.594 119.914 -0.030 0.000 2.332 665 V HA -0.231 3.887 4.120 -0.003 0.000 0.248 665 V C 2.641 178.718 176.094 -0.028 0.000 1.055 665 V CA 1.090 63.371 62.300 -0.031 0.000 1.038 665 V CB -0.529 31.278 31.823 -0.026 0.000 0.651 665 V HN 0.068 nan 8.190 nan 0.000 0.450 666 V N -0.305 119.593 119.914 -0.026 0.000 2.287 666 V HA -0.332 3.786 4.120 -0.003 0.000 0.248 666 V C 2.447 178.528 176.094 -0.022 0.000 1.053 666 V CA 2.299 64.585 62.300 -0.024 0.000 1.027 666 V CB -0.722 31.087 31.823 -0.024 0.000 0.646 666 V HN 0.539 nan 8.190 nan 0.000 0.447 667 K N -0.549 119.838 120.400 -0.022 0.000 2.097 667 K HA -0.129 4.189 4.320 -0.003 0.000 0.206 667 K C 1.951 178.539 176.600 -0.020 0.000 1.049 667 K CA 1.424 57.699 56.287 -0.020 0.000 0.933 667 K CB -0.244 32.245 32.500 -0.019 0.000 0.717 667 K HN 0.367 nan 8.250 nan 0.000 0.442 668 V N 0.791 120.690 119.914 -0.024 0.000 2.599 668 V HA -0.118 4.001 4.120 -0.003 0.000 0.245 668 V C 1.905 177.983 176.094 -0.028 0.000 1.046 668 V CA 1.275 63.561 62.300 -0.025 0.000 1.065 668 V CB -0.104 31.701 31.823 -0.029 0.000 0.703 668 V HN 0.257 nan 8.190 nan 0.000 0.464 669 Q N -0.210 119.572 119.800 -0.029 0.000 2.425 669 Q HA 0.180 4.519 4.340 -0.003 0.000 0.204 669 Q C 1.943 177.930 176.000 -0.023 0.000 0.933 669 Q CA 0.900 56.685 55.803 -0.030 0.000 0.939 669 Q CB 0.483 29.201 28.738 -0.033 0.000 1.044 669 Q HN 0.736 nan 8.270 nan 0.000 0.513 670 G N 2.132 110.920 108.800 -0.020 0.000 2.234 670 G HA2 -0.282 3.676 3.960 -0.003 0.000 0.260 670 G HA3 -0.282 3.676 3.960 -0.003 0.000 0.260 670 G C 0.339 175.229 174.900 -0.015 0.000 0.987 670 G CA 0.708 45.798 45.100 -0.017 0.000 0.625 670 G HN 0.378 nan 8.290 nan 0.000 0.532 671 R N 0.463 120.954 120.500 -0.014 0.000 2.733 671 R HA 0.554 4.892 4.340 -0.003 0.000 0.272 671 R C -1.484 174.808 176.300 -0.013 0.000 1.029 671 R CA -0.315 55.777 56.100 -0.013 0.000 0.888 671 R CB -0.091 30.203 30.300 -0.010 0.000 1.251 671 R HN 0.086 nan 8.270 nan 0.000 0.464 672 D N 0.799 121.187 120.400 -0.020 0.000 2.488 672 D HA 0.091 4.729 4.640 -0.003 0.000 0.238 672 D C 0.298 176.587 176.300 -0.018 0.000 1.138 672 D CA 0.326 54.308 54.000 -0.029 0.000 0.873 672 D CB 0.586 41.360 40.800 -0.044 0.000 1.183 672 D HN 0.403 nan 8.370 nan 0.000 0.458 673 M N 4.305 123.895 119.600 -0.017 0.000 2.596 673 M HA 0.069 4.548 4.480 -0.003 0.000 0.364 673 M C 0.971 177.245 176.300 -0.042 0.000 1.158 673 M CA -0.378 54.939 55.300 0.028 0.000 0.940 673 M CB -0.016 32.621 32.600 0.061 0.000 1.388 673 M HN 0.430 nan 8.290 nan 0.000 0.522 674 L N 1.875 123.027 121.223 -0.118 0.000 2.042 674 L HA -0.072 4.266 4.340 -0.003 0.000 0.210 674 L C 2.357 179.065 176.870 -0.270 0.000 1.076 674 L CA 2.411 57.116 54.840 -0.225 0.000 0.749 674 L CB -0.582 41.322 42.059 -0.260 0.000 0.893 674 L HN 0.351 nan 8.230 nan 0.000 0.432 675 A N -1.452 121.221 122.820 -0.245 0.000 1.902 675 A HA -0.244 4.075 4.320 -0.003 0.000 0.217 675 A C 2.196 179.646 177.584 -0.223 0.000 1.181 675 A CA 1.765 53.645 52.037 -0.261 0.000 0.623 675 A CB -0.931 17.893 19.000 -0.292 0.000 0.818 675 A HN 0.672 nan 8.150 nan 0.000 0.443 676 H N -0.504 118.507 119.070 -0.098 0.000 2.353 676 H HA -0.026 4.529 4.556 -0.003 0.000 0.300 676 H C 2.109 177.388 175.328 -0.083 0.000 1.090 676 H CA 1.670 57.667 56.048 -0.085 0.000 1.327 676 H CB -0.335 29.369 29.762 -0.096 0.000 1.383 676 H HN 0.487 nan 8.280 nan 0.000 0.508 677 I N 0.585 121.173 120.570 0.030 0.000 2.394 677 I HA -0.198 3.970 4.170 -0.003 0.000 0.251 677 I C 2.482 178.665 176.117 0.110 0.000 1.136 677 I CA 0.823 62.151 61.300 0.046 0.000 1.425 677 I CB -0.068 37.949 38.000 0.029 0.000 1.079 677 I HN 0.099 nan 8.210 nan 0.000 0.425 678 R N 0.664 121.110 120.500 -0.090 0.000 2.115 678 R HA -0.103 4.235 4.340 -0.003 0.000 0.226 678 R C 2.190 178.622 176.300 0.219 0.000 1.100 678 R CA 0.918 56.999 56.100 -0.032 0.000 0.980 678 R CB -0.104 30.028 30.300 -0.280 0.000 0.875 678 R HN 0.331 nan 8.270 nan 0.000 0.445 679 K N 0.179 120.653 120.400 0.123 0.000 2.009 679 K HA -0.125 4.194 4.320 -0.003 0.000 0.210 679 K C -0.861 175.819 176.600 0.133 0.000 1.049 679 K CA 1.458 57.817 56.287 0.121 0.000 0.929 679 K CB -0.891 31.660 32.500 0.084 0.000 0.714 679 K HN 0.140 nan 8.250 nan 0.000 0.440 680 P HA -0.145 nan 4.420 nan 0.000 0.218 680 P C 0.604 177.925 177.300 0.034 0.000 1.149 680 P CA 1.077 64.172 63.100 -0.008 0.000 0.817 680 P CB -0.075 31.580 31.700 -0.074 0.000 0.785 681 W N 0.503 121.980 121.300 0.294 0.000 2.409 681 W HA -0.045 4.613 4.660 -0.003 0.000 0.299 681 W C 2.423 179.212 176.519 0.449 0.000 1.203 681 W CA 0.762 58.382 57.345 0.459 0.000 1.298 681 W CB -0.655 29.226 29.460 0.701 0.000 1.127 681 W HN -0.011 nan 8.180 nan 0.000 0.528 682 E N 0.358 120.889 120.200 0.552 0.000 2.038 682 E HA -0.250 4.098 4.350 -0.003 0.000 0.195 682 E C 2.189 178.930 176.600 0.235 0.000 1.000 682 E CA 1.417 58.036 56.400 0.364 0.000 0.803 682 E CB -0.729 29.125 29.700 0.258 0.000 0.750 682 E HN 0.250 nan 8.360 nan 0.000 0.448 683 L N 0.328 121.634 121.223 0.138 0.000 1.990 683 L HA -0.277 4.061 4.340 -0.003 0.000 0.213 683 L C 2.596 179.454 176.870 -0.020 0.000 1.072 683 L CA 1.897 56.742 54.840 0.009 0.000 0.755 683 L CB -0.556 41.436 42.059 -0.111 0.000 0.889 683 L HN 0.290 nan 8.230 nan 0.000 0.432 684 Y N -0.298 119.907 120.300 -0.158 0.000 2.053 684 Y HA -0.367 4.181 4.550 -0.003 0.000 0.277 684 Y C 2.375 177.984 175.900 -0.484 0.000 1.159 684 Y CA 2.086 59.966 58.100 -0.368 0.000 1.125 684 Y CB -0.427 37.801 38.460 -0.387 0.000 0.969 684 Y HN -0.002 nan 8.280 nan 0.000 0.492 685 F N 0.774 120.577 119.950 -0.246 0.000 2.146 685 F HA -0.211 4.315 4.527 -0.003 0.000 0.298 685 F C 2.218 177.923 175.800 -0.158 0.000 1.096 685 F CA 1.552 59.396 58.000 -0.260 0.000 1.275 685 F CB -0.740 38.242 39.000 -0.028 0.000 1.008 685 F HN 0.130 nan 8.300 nan 0.000 0.480 686 N N -0.409 118.336 118.700 0.075 0.000 2.137 686 N HA -0.191 4.547 4.740 -0.003 0.000 0.190 686 N C 1.887 177.335 175.510 -0.103 0.000 1.017 686 N CA 1.503 54.554 53.050 0.002 0.000 0.859 686 N CB -0.901 37.589 38.487 0.006 0.000 1.002 686 N HN 0.251 nan 8.380 nan 0.000 0.428 687 C N -0.310 118.874 119.300 -0.193 0.000 2.446 687 C HA 0.008 4.467 4.460 -0.003 0.000 0.279 687 C C 2.436 177.273 174.990 -0.255 0.000 1.366 687 C CA -0.238 58.617 59.018 -0.272 0.000 1.763 687 C CB -1.264 26.290 27.740 -0.312 0.000 1.929 687 C HN 0.489 nan 8.230 nan 0.000 0.509 688 Y N 0.401 120.497 120.300 -0.341 0.000 2.145 688 Y HA -0.221 4.328 4.550 -0.003 0.000 0.286 688 Y C 2.696 178.470 175.900 -0.210 0.000 1.145 688 Y CA 1.335 59.242 58.100 -0.321 0.000 1.148 688 Y CB -0.267 37.984 38.460 -0.349 0.000 0.981 688 Y HN 0.273 nan 8.280 nan 0.000 0.507 689 V N -0.478 119.448 119.914 0.020 0.000 2.626 689 V HA -0.267 3.851 4.120 -0.003 0.000 0.252 689 V C 1.926 177.943 176.094 -0.127 0.000 1.067 689 V CA 2.067 64.349 62.300 -0.030 0.000 1.081 689 V CB -0.490 31.328 31.823 -0.007 0.000 0.686 689 V HN 0.353 nan 8.190 nan 0.000 0.468 690 Q N 1.025 120.689 119.800 -0.228 0.000 2.050 690 Q HA -0.198 4.140 4.340 -0.003 0.000 0.202 690 Q C 2.115 177.817 176.000 -0.496 0.000 0.980 690 Q CA 2.578 58.100 55.803 -0.468 0.000 0.840 690 Q CB -0.518 27.869 28.738 -0.585 0.000 0.898 690 Q HN 0.806 nan 8.270 nan 0.000 0.424 691 E N -0.505 119.527 120.200 -0.281 0.000 2.070 691 E HA -0.234 4.114 4.350 -0.003 0.000 0.197 691 E C 2.051 178.721 176.600 0.116 0.000 1.004 691 E CA 1.239 57.638 56.400 -0.002 0.000 0.805 691 E CB -0.095 29.564 29.700 -0.068 0.000 0.744 691 E HN 0.220 nan 8.360 nan 0.000 0.451 692 R N 0.609 121.119 120.500 0.018 0.000 2.148 692 R HA -0.059 4.279 4.340 -0.003 0.000 0.223 692 R C 2.063 178.402 176.300 0.065 0.000 1.088 692 R CA 0.730 56.860 56.100 0.050 0.000 0.985 692 R CB -0.273 30.030 30.300 0.006 0.000 0.880 692 R HN 0.144 nan 8.270 nan 0.000 0.451 693 E N -0.282 119.917 120.200 -0.002 0.000 2.106 693 E HA -0.150 4.199 4.350 -0.003 0.000 0.192 693 E C 1.470 178.175 176.600 0.174 0.000 0.984 693 E CA 0.964 57.368 56.400 0.007 0.000 0.806 693 E CB -0.094 29.526 29.700 -0.133 0.000 0.750 693 E HN 0.236 nan 8.360 nan 0.000 0.458 694 W N -0.154 121.234 121.300 0.148 0.000 2.409 694 W HA -0.004 4.654 4.660 -0.003 0.000 0.299 694 W C 2.015 178.648 176.519 0.190 0.000 1.203 694 W CA 0.401 57.882 57.345 0.227 0.000 1.298 694 W CB -1.156 28.490 29.460 0.309 0.000 1.127 694 W HN 0.208 nan 8.180 nan 0.000 0.528 695 L N 1.111 122.562 121.223 0.380 0.000 2.046 695 L HA -0.178 4.160 4.340 -0.003 0.000 0.208 695 L C 2.302 179.277 176.870 0.176 0.000 1.077 695 L CA 2.372 57.356 54.840 0.240 0.000 0.747 695 L CB -1.147 41.024 42.059 0.188 0.000 0.896 695 L HN 0.038 nan 8.230 nan 0.000 0.432 696 E N -0.660 119.633 120.200 0.155 0.000 2.110 696 E HA -0.190 4.158 4.350 -0.003 0.000 0.193 696 E C 1.788 178.460 176.600 0.120 0.000 0.988 696 E CA 1.014 57.480 56.400 0.110 0.000 0.804 696 E CB -0.146 29.603 29.700 0.081 0.000 0.745 696 E HN 0.575 nan 8.360 nan 0.000 0.458 697 A N 0.140 123.060 122.820 0.166 0.000 2.238 697 A HA 0.252 4.570 4.320 -0.003 0.000 0.208 697 A C 1.506 179.198 177.584 0.180 0.000 1.177 697 A CA 0.730 52.864 52.037 0.162 0.000 0.804 697 A CB -0.470 18.637 19.000 0.179 0.000 0.823 697 A HN 0.418 nan 8.150 nan 0.000 0.482 698 G N -1.317 107.590 108.800 0.177 0.000 2.305 698 G HA2 -0.320 3.638 3.960 -0.003 0.000 0.287 698 G HA3 -0.320 3.638 3.960 -0.003 0.000 0.287 698 G C -0.092 174.909 174.900 0.168 0.000 1.036 698 G CA 0.655 45.841 45.100 0.144 0.000 0.887 698 G HN 0.851 nan 8.290 nan 0.000 0.505 699 Y N 0.332 120.675 120.300 0.071 0.000 2.320 699 Y HA 0.634 5.183 4.550 -0.003 0.000 0.334 699 Y C 0.065 175.895 175.900 -0.117 0.000 1.055 699 Y CA -1.911 56.179 58.100 -0.016 0.000 1.143 699 Y CB 0.750 39.214 38.460 0.007 0.000 1.193 699 Y HN 0.116 nan 8.280 nan 0.000 0.477 700 I N 9.270 129.357 120.570 -0.804 0.000 2.354 700 I HA 0.296 4.464 4.170 -0.003 0.000 0.286 700 I C -2.373 173.061 176.117 -1.137 0.000 1.007 700 I CA -2.478 58.382 61.300 -0.734 0.000 1.167 700 I CB 1.088 38.848 38.000 -0.401 0.000 1.320 700 I HN 0.522 nan 8.210 nan 0.000 0.458 701 P HA 0.155 nan 4.420 nan 0.000 0.274 701 P C 0.132 177.207 177.300 -0.375 0.000 1.256 701 P CA -0.185 62.436 63.100 -0.799 0.000 0.795 701 P CB 0.363 31.615 31.700 -0.747 0.000 1.038 702 T N -1.919 112.534 114.554 -0.168 0.000 2.856 702 T HA 0.052 4.400 4.350 -0.003 0.000 0.306 702 T C 0.963 175.708 174.700 0.076 0.000 1.062 702 T CA -0.111 61.971 62.100 -0.030 0.000 1.083 702 T CB -0.178 68.712 68.868 0.036 0.000 0.984 702 T HN 0.171 nan 8.240 nan 0.000 0.542 703 F N 1.027 120.960 119.950 -0.028 0.000 2.091 703 F HA -0.095 4.431 4.527 -0.003 0.000 0.299 703 F C 2.552 178.457 175.800 0.176 0.000 1.103 703 F CA 2.324 60.365 58.000 0.068 0.000 1.228 703 F CB -0.414 38.631 39.000 0.075 0.000 0.984 703 F HN 0.949 nan 8.300 nan 0.000 0.477 704 E N -0.185 120.149 120.200 0.223 0.000 2.072 704 E HA -0.279 4.069 4.350 -0.003 0.000 0.191 704 E C 2.244 178.921 176.600 0.128 0.000 0.985 704 E CA 1.437 57.927 56.400 0.150 0.000 0.801 704 E CB -0.407 29.392 29.700 0.166 0.000 0.750 704 E HN 0.639 nan 8.360 nan 0.000 0.452 705 E N -0.607 119.682 120.200 0.149 0.000 2.106 705 E HA -0.234 4.115 4.350 -0.003 0.000 0.192 705 E C 1.959 178.718 176.600 0.266 0.000 0.984 705 E CA 1.059 57.580 56.400 0.202 0.000 0.806 705 E CB -0.307 29.497 29.700 0.173 0.000 0.750 705 E HN 0.458 nan 8.360 nan 0.000 0.458 706 Y N 1.113 121.426 120.300 0.022 0.000 2.097 706 Y HA -0.248 4.301 4.550 -0.003 0.000 0.282 706 Y C 1.943 177.951 175.900 0.180 0.000 1.152 706 Y CA 1.901 60.035 58.100 0.057 0.000 1.136 706 Y CB -0.228 38.123 38.460 -0.180 0.000 0.975 706 Y HN 0.029 nan 8.280 nan 0.000 0.498 707 L N 0.495 121.667 121.223 -0.084 0.000 2.131 707 L HA -0.216 4.122 4.340 -0.003 0.000 0.210 707 L C 2.639 179.491 176.870 -0.030 0.000 1.092 707 L CA 1.604 56.346 54.840 -0.165 0.000 0.759 707 L CB -0.557 41.423 42.059 -0.131 0.000 0.903 707 L HN 0.249 nan 8.230 nan 0.000 0.435 708 K N -0.356 120.085 120.400 0.069 0.000 2.032 708 K HA -0.196 4.122 4.320 -0.003 0.000 0.209 708 K C 1.972 178.619 176.600 0.078 0.000 1.048 708 K CA 2.044 58.393 56.287 0.104 0.000 0.927 708 K CB -0.011 32.581 32.500 0.153 0.000 0.712 708 K HN 0.216 nan 8.250 nan 0.000 0.441 709 T N -0.506 114.118 114.554 0.118 0.000 2.770 709 T HA -0.066 4.282 4.350 -0.003 0.000 0.258 709 T C 1.543 176.176 174.700 -0.111 0.000 1.039 709 T CA 1.157 63.254 62.100 -0.005 0.000 1.143 709 T CB -0.328 68.530 68.868 -0.017 0.000 0.866 709 T HN 0.255 nan 8.240 nan 0.000 0.428 710 Y N 1.086 121.253 120.300 -0.223 0.000 2.439 710 Y HA 0.192 4.740 4.550 -0.003 0.000 0.292 710 Y C 2.518 178.317 175.900 -0.168 0.000 1.130 710 Y CA 0.440 58.371 58.100 -0.281 0.000 1.254 710 Y CB -0.178 37.845 38.460 -0.729 0.000 1.000 710 Y HN 0.197 nan 8.280 nan 0.000 0.554 711 A N -0.559 122.252 122.820 -0.016 0.000 2.119 711 A HA -0.028 4.290 4.320 -0.003 0.000 0.216 711 A C 1.982 179.570 177.584 0.005 0.000 1.152 711 A CA 1.031 53.076 52.037 0.014 0.000 0.708 711 A CB -0.627 18.381 19.000 0.012 0.000 0.805 711 A HN 0.503 nan 8.150 nan 0.000 0.460 712 I N -0.293 120.261 120.570 -0.027 0.000 2.494 712 I HA -0.128 4.041 4.170 -0.003 0.000 0.250 712 I C 2.700 178.780 176.117 -0.061 0.000 1.112 712 I CA 1.172 62.434 61.300 -0.064 0.000 1.438 712 I CB -0.060 37.866 38.000 -0.123 0.000 1.111 712 I HN 0.427 nan 8.210 nan 0.000 0.431 713 S N 0.297 115.922 115.700 -0.125 0.000 2.469 713 S HA -0.129 4.339 4.470 -0.003 0.000 0.238 713 S C 2.025 176.657 174.600 0.054 0.000 0.998 713 S CA 0.923 59.008 58.200 -0.192 0.000 0.957 713 S CB -0.712 62.289 63.200 -0.332 0.000 0.764 713 S HN 0.307 nan 8.310 nan 0.000 0.514 714 V N 1.787 121.779 119.914 0.129 0.000 2.720 714 V HA 0.164 4.282 4.120 -0.003 0.000 0.256 714 V C 1.554 177.844 176.094 0.326 0.000 1.082 714 V CA 1.612 64.066 62.300 0.256 0.000 1.101 714 V CB -1.011 30.994 31.823 0.304 0.000 0.693 714 V HN 1.012 nan 8.190 nan 0.000 0.479 715 G N -0.716 108.203 108.800 0.198 0.000 2.141 715 G HA2 -0.222 3.736 3.960 -0.003 0.000 0.195 715 G HA3 -0.222 3.736 3.960 -0.003 0.000 0.195 715 G C 0.369 175.242 174.900 -0.046 0.000 1.012 715 G CA 0.337 45.468 45.100 0.052 0.000 0.696 715 G HN 0.558 nan 8.290 nan 0.000 0.508 716 L N 0.915 122.030 121.223 -0.180 0.000 2.217 716 L HA 0.336 4.675 4.340 -0.003 0.000 0.211 716 L C 2.580 179.367 176.870 -0.138 0.000 1.107 716 L CA 3.026 57.578 54.840 -0.481 0.000 0.783 716 L CB -0.762 40.647 42.059 -1.082 0.000 0.919 716 L HN 0.355 nan 8.230 nan 0.000 0.442 717 G N 0.224 109.028 108.800 0.007 0.000 2.587 717 G HA2 -0.241 3.718 3.960 -0.003 0.000 0.217 717 G HA3 -0.241 3.718 3.960 -0.003 0.000 0.217 717 G C -0.672 174.256 174.900 0.047 0.000 1.240 717 G CA 1.042 46.239 45.100 0.163 0.000 0.794 717 G HN 0.358 nan 8.290 nan 0.000 0.580 718 P HA -0.013 nan 4.420 nan 0.000 0.219 718 P C 2.105 179.236 177.300 -0.282 0.000 1.150 718 P CA 1.502 64.139 63.100 -0.773 0.000 0.814 718 P CB -0.229 30.448 31.700 -1.705 0.000 0.787 719 C N -2.975 116.273 119.300 -0.086 0.000 2.576 719 C HA 0.186 4.644 4.460 -0.003 0.000 0.267 719 C C 2.118 177.363 174.990 0.425 0.000 1.364 719 C CA 0.854 59.985 59.018 0.189 0.000 1.723 719 C CB -1.978 25.902 27.740 0.233 0.000 1.778 719 C HN 0.266 nan 8.230 nan 0.000 0.572 720 T N -2.384 112.371 114.554 0.336 0.000 2.999 720 T HA 0.104 4.452 4.350 -0.003 0.000 0.247 720 T C 1.414 176.252 174.700 0.229 0.000 1.012 720 T CA 0.508 62.862 62.100 0.424 0.000 1.048 720 T CB -0.420 68.740 68.868 0.488 0.000 1.020 720 T HN 0.313 nan 8.240 nan 0.000 0.478 721 L N 1.821 123.087 121.223 0.071 0.000 1.961 721 L HA 0.092 4.430 4.340 -0.003 0.000 0.210 721 L C 2.643 179.443 176.870 -0.117 0.000 1.072 721 L CA 1.961 56.633 54.840 -0.280 0.000 0.749 721 L CB -1.151 40.571 42.059 -0.561 0.000 0.889 721 L HN 0.250 nan 8.230 nan 0.000 0.432 722 Q N -0.387 119.409 119.800 -0.007 0.000 2.030 722 Q HA -0.186 4.152 4.340 -0.003 0.000 0.204 722 Q C -0.231 175.748 176.000 -0.036 0.000 0.986 722 Q CA 2.552 58.368 55.803 0.022 0.000 0.843 722 Q CB -1.322 27.494 28.738 0.129 0.000 0.904 722 Q HN 0.436 nan 8.270 nan 0.000 0.420 723 P HA -0.193 nan 4.420 nan 0.000 0.215 723 P C 1.358 178.444 177.300 -0.358 0.000 1.157 723 P CA 1.321 64.310 63.100 -0.184 0.000 0.868 723 P CB -0.310 31.288 31.700 -0.169 0.000 0.788 724 I N -4.088 116.289 120.570 -0.321 0.000 2.493 724 I HA -0.135 4.034 4.170 -0.003 0.000 0.254 724 I C 1.801 177.798 176.117 -0.200 0.000 1.160 724 I CA 1.510 62.631 61.300 -0.298 0.000 1.445 724 I CB -1.046 36.874 38.000 -0.133 0.000 1.086 724 I HN -0.157 nan 8.210 nan 0.000 0.433 725 L N 0.571 121.702 121.223 -0.154 0.000 2.465 725 L HA 0.032 4.370 4.340 -0.003 0.000 0.224 725 L C 2.020 178.831 176.870 -0.099 0.000 1.145 725 L CA 0.690 55.460 54.840 -0.117 0.000 0.834 725 L CB -0.184 41.818 42.059 -0.096 0.000 0.944 725 L HN 0.369 nan 8.230 nan 0.000 0.451 726 L N -1.461 119.690 121.223 -0.120 0.000 2.616 726 L HA 0.083 4.421 4.340 -0.003 0.000 0.229 726 L C 2.170 178.992 176.870 -0.080 0.000 1.110 726 L CA -0.046 54.741 54.840 -0.088 0.000 0.884 726 L CB 0.036 42.048 42.059 -0.078 0.000 1.115 726 L HN 0.264 nan 8.230 nan 0.000 0.481 727 M N -0.600 118.918 119.600 -0.136 0.000 2.296 727 M HA -0.049 4.429 4.480 -0.003 0.000 0.265 727 M C 1.710 178.037 176.300 0.046 0.000 1.064 727 M CA 1.701 56.941 55.300 -0.100 0.000 1.109 727 M CB -0.120 32.288 32.600 -0.319 0.000 1.396 727 M HN 0.487 nan 8.290 nan 0.000 0.430 728 G N -0.576 108.221 108.800 -0.004 0.000 2.909 728 G HA2 -0.152 3.806 3.960 -0.003 0.000 0.198 728 G HA3 -0.152 3.806 3.960 -0.003 0.000 0.198 728 G C -0.055 174.841 174.900 -0.006 0.000 1.124 728 G CA -0.548 44.562 45.100 0.015 0.000 0.796 728 G HN 0.408 nan 8.290 nan 0.000 0.489 729 E N 0.792 120.985 120.200 -0.012 0.000 2.437 729 E HA 0.362 4.710 4.350 -0.003 0.000 0.263 729 E C -0.018 176.557 176.600 -0.042 0.000 1.030 729 E CA -0.381 56.004 56.400 -0.026 0.000 0.934 729 E CB 1.216 30.896 29.700 -0.033 0.000 0.943 729 E HN 0.338 nan 8.360 nan 0.000 0.444 730 L N 3.745 124.944 121.223 -0.040 0.000 2.410 730 L HA 0.092 4.431 4.340 -0.003 0.000 0.273 730 L C -0.971 175.862 176.870 -0.061 0.000 1.144 730 L CA 0.111 54.923 54.840 -0.046 0.000 0.863 730 L CB 0.924 42.961 42.059 -0.038 0.000 1.140 730 L HN 0.215 nan 8.230 nan 0.000 0.463 731 V N 6.290 126.158 119.914 -0.076 0.000 2.313 731 V HA 0.346 4.465 4.120 -0.003 0.000 0.278 731 V C 0.376 176.405 176.094 -0.107 0.000 1.017 731 V CA -0.911 61.329 62.300 -0.101 0.000 0.823 731 V CB 0.840 32.584 31.823 -0.133 0.000 1.010 731 V HN 0.734 nan 8.190 nan 0.000 0.443 732 K N 2.379 122.725 120.400 -0.090 0.000 2.187 732 K HA 0.155 4.473 4.320 -0.003 0.000 0.247 732 K C 0.576 177.116 176.600 -0.100 0.000 1.019 732 K CA -0.553 55.691 56.287 -0.071 0.000 0.893 732 K CB 0.661 33.130 32.500 -0.051 0.000 1.025 732 K HN 0.492 nan 8.250 nan 0.000 0.500 733 D N 1.335 121.712 120.400 -0.038 0.000 2.117 733 D HA -0.139 4.499 4.640 -0.003 0.000 0.197 733 D C 0.944 177.229 176.300 -0.025 0.000 0.987 733 D CA 1.493 55.501 54.000 0.014 0.000 0.829 733 D CB -0.032 40.844 40.800 0.128 0.000 0.961 733 D HN 0.434 nan 8.370 nan 0.000 0.460 734 D N -0.390 119.995 120.400 -0.025 0.000 2.347 734 D HA -0.029 4.609 4.640 -0.003 0.000 0.215 734 D C 1.899 178.162 176.300 -0.061 0.000 0.976 734 D CA 0.120 54.102 54.000 -0.029 0.000 0.884 734 D CB 0.349 41.136 40.800 -0.021 0.000 0.915 734 D HN 0.095 nan 8.370 nan 0.000 0.526 735 V N 0.228 120.090 119.914 -0.087 0.000 3.052 735 V HA -0.088 4.030 4.120 -0.003 0.000 0.254 735 V C 2.464 178.485 176.094 -0.122 0.000 1.100 735 V CA 0.378 62.621 62.300 -0.095 0.000 1.112 735 V CB 0.252 32.022 31.823 -0.089 0.000 0.738 735 V HN 0.028 nan 8.190 nan 0.000 0.469 736 V N 1.700 121.505 119.914 -0.182 0.000 2.278 736 V HA -0.338 3.780 4.120 -0.003 0.000 0.251 736 V C 2.606 178.627 176.094 -0.123 0.000 1.062 736 V CA 2.674 64.843 62.300 -0.218 0.000 1.038 736 V CB -0.666 30.908 31.823 -0.416 0.000 0.646 736 V HN 0.877 nan 8.190 nan 0.000 0.447 737 E N 0.028 120.169 120.200 -0.099 0.000 2.347 737 E HA -0.202 4.146 4.350 -0.003 0.000 0.196 737 E C 1.926 178.461 176.600 -0.107 0.000 1.008 737 E CA 0.962 57.306 56.400 -0.092 0.000 0.852 737 E CB -0.214 29.443 29.700 -0.073 0.000 0.783 737 E HN 0.580 nan 8.360 nan 0.000 0.505 738 K N 0.447 120.793 120.400 -0.091 0.000 2.305 738 K HA 0.045 4.363 4.320 -0.003 0.000 0.199 738 K C 1.846 178.403 176.600 -0.072 0.000 1.047 738 K CA 0.693 56.930 56.287 -0.083 0.000 0.976 738 K CB 0.647 33.100 32.500 -0.077 0.000 0.765 738 K HN 0.038 nan 8.250 nan 0.000 0.474 739 V N -0.006 119.871 119.914 -0.061 0.000 3.455 739 V HA 0.037 4.155 4.120 -0.003 0.000 0.250 739 V C 1.037 177.140 176.094 0.015 0.000 1.230 739 V CA 0.310 62.599 62.300 -0.019 0.000 1.105 739 V CB 0.258 32.070 31.823 -0.017 0.000 0.850 739 V HN 0.267 nan 8.190 nan 0.000 0.461 740 H N -1.488 117.456 119.070 -0.209 0.000 3.209 740 H HA 0.240 4.794 4.556 -0.003 0.000 0.225 740 H C -0.796 174.068 175.328 -0.774 0.000 1.599 740 H CA -0.312 55.448 56.048 -0.481 0.000 1.691 740 H CB 0.822 30.350 29.762 -0.390 0.000 1.473 740 H HN 0.245 nan 8.280 nan 0.000 0.981 741 Y N 2.315 121.692 120.300 -1.537 0.000 2.511 741 Y HA 0.113 4.661 4.550 -0.003 0.000 0.332 741 Y C -1.854 173.849 175.900 -0.329 0.000 1.177 741 Y CA -1.393 56.142 58.100 -0.942 0.000 1.422 741 Y CB 0.840 38.840 38.460 -0.768 0.000 1.271 741 Y HN 0.282 nan 8.280 nan 0.000 0.550 742 P HA 0.120 nan 4.420 nan 0.000 0.240 742 P C -1.009 176.063 177.300 -0.380 0.000 1.854 742 P CA -0.299 62.205 63.100 -0.993 0.000 1.081 742 P CB -0.229 30.786 31.700 -1.142 0.000 1.646 743 S N -0.007 115.554 115.700 -0.231 0.000 2.579 743 S HA 0.104 4.572 4.470 -0.003 0.000 0.275 743 S C 1.366 175.955 174.600 -0.018 0.000 1.345 743 S CA -0.298 57.841 58.200 -0.102 0.000 1.031 743 S CB 0.462 63.619 63.200 -0.073 0.000 0.892 743 S HN -0.031 nan 8.310 nan 0.000 0.529 744 N N 1.485 120.174 118.700 -0.018 0.000 2.036 744 N HA -0.219 4.519 4.740 -0.003 0.000 0.199 744 N C 1.620 177.151 175.510 0.036 0.000 1.036 744 N CA 2.075 55.133 53.050 0.013 0.000 0.870 744 N CB -0.670 37.826 38.487 0.016 0.000 1.055 744 N HN 0.777 nan 8.380 nan 0.000 0.436 745 M N -0.737 118.881 119.600 0.030 0.000 2.108 745 M HA -0.178 4.300 4.480 -0.003 0.000 0.261 745 M C 1.946 178.271 176.300 0.042 0.000 1.066 745 M CA 1.486 56.810 55.300 0.041 0.000 1.107 745 M CB -0.166 32.450 32.600 0.026 0.000 1.356 745 M HN 0.130 nan 8.290 nan 0.000 0.406 746 F N 1.242 121.137 119.950 -0.092 0.000 2.146 746 F HA -0.213 4.312 4.527 -0.003 0.000 0.298 746 F C 2.216 177.936 175.800 -0.134 0.000 1.096 746 F CA 1.609 59.522 58.000 -0.146 0.000 1.275 746 F CB -0.249 38.646 39.000 -0.176 0.000 1.008 746 F HN 0.136 nan 8.300 nan 0.000 0.480 747 E N 0.748 121.042 120.200 0.157 0.000 2.058 747 E HA -0.211 4.137 4.350 -0.003 0.000 0.194 747 E C 2.402 178.982 176.600 -0.033 0.000 0.997 747 E CA 1.569 58.016 56.400 0.078 0.000 0.801 747 E CB -0.817 28.929 29.700 0.077 0.000 0.746 747 E HN 0.467 nan 8.360 nan 0.000 0.450 748 L N 0.304 121.511 121.223 -0.026 0.000 2.046 748 L HA -0.158 4.180 4.340 -0.003 0.000 0.208 748 L C 2.561 179.373 176.870 -0.097 0.000 1.077 748 L CA 0.722 55.545 54.840 -0.027 0.000 0.747 748 L CB -0.466 41.604 42.059 0.019 0.000 0.896 748 L HN -0.022 nan 8.230 nan 0.000 0.432 749 V N -1.121 118.673 119.914 -0.199 0.000 2.407 749 V HA -0.256 3.862 4.120 -0.003 0.000 0.248 749 V C 2.570 178.400 176.094 -0.439 0.000 1.055 749 V CA 1.861 63.957 62.300 -0.341 0.000 1.049 749 V CB -0.375 31.143 31.823 -0.509 0.000 0.662 749 V HN 0.368 nan 8.190 nan 0.000 0.455 750 S N 0.135 115.544 115.700 -0.484 0.000 2.359 750 S HA -0.219 4.250 4.470 -0.003 0.000 0.224 750 S C 1.898 176.451 174.600 -0.078 0.000 1.035 750 S CA 1.890 59.878 58.200 -0.353 0.000 1.018 750 S CB -0.462 62.574 63.200 -0.275 0.000 0.876 750 S HN 0.428 nan 8.310 nan 0.000 0.448 751 L N 2.355 123.549 121.223 -0.048 0.000 1.989 751 L HA -0.132 4.206 4.340 -0.003 0.000 0.211 751 L C 2.559 179.469 176.870 0.065 0.000 1.071 751 L CA 2.422 57.275 54.840 0.023 0.000 0.749 751 L CB -1.311 40.761 42.059 0.023 0.000 0.890 751 L HN 0.451 nan 8.230 nan 0.000 0.431 752 S N -1.697 114.033 115.700 0.049 0.000 2.374 752 S HA -0.264 4.204 4.470 -0.003 0.000 0.227 752 S C 1.851 176.579 174.600 0.214 0.000 1.037 752 S CA 1.307 59.562 58.200 0.091 0.000 1.024 752 S CB -1.255 61.969 63.200 0.040 0.000 0.861 752 S HN 0.551 nan 8.310 nan 0.000 0.456 753 W N 2.450 123.722 121.300 -0.047 0.000 2.353 753 W HA 0.120 4.778 4.660 -0.003 0.000 0.319 753 W C 2.993 179.528 176.519 0.028 0.000 1.207 753 W CA 0.857 58.197 57.345 -0.010 0.000 1.291 753 W CB -1.177 28.252 29.460 -0.051 0.000 1.159 753 W HN 0.329 nan 8.180 nan 0.000 0.478 754 R N 0.576 121.239 120.500 0.272 0.000 2.080 754 R HA -0.148 4.190 4.340 -0.003 0.000 0.236 754 R C 2.111 178.499 176.300 0.146 0.000 1.137 754 R CA 1.963 58.180 56.100 0.194 0.000 0.943 754 R CB -1.311 29.081 30.300 0.152 0.000 0.846 754 R HN 0.266 nan 8.270 nan 0.000 0.431 755 L N -0.395 120.903 121.223 0.125 0.000 2.240 755 L HA -0.039 4.299 4.340 -0.003 0.000 0.211 755 L C 2.008 178.907 176.870 0.049 0.000 1.106 755 L CA 1.517 56.417 54.840 0.100 0.000 0.793 755 L CB -0.340 41.785 42.059 0.111 0.000 0.927 755 L HN 0.283 nan 8.230 nan 0.000 0.446 756 T N -0.868 113.715 114.554 0.048 0.000 2.857 756 T HA -0.139 4.209 4.350 -0.003 0.000 0.266 756 T C 1.787 176.388 174.700 -0.165 0.000 1.048 756 T CA 1.063 63.162 62.100 -0.002 0.000 1.139 756 T CB -0.233 68.683 68.868 0.081 0.000 0.874 756 T HN 0.332 nan 8.240 nan 0.000 0.455 757 N N 1.505 120.131 118.700 -0.123 0.000 2.069 757 N HA -0.173 4.566 4.740 -0.003 0.000 0.191 757 N C 1.229 176.633 175.510 -0.175 0.000 1.031 757 N CA 1.622 54.521 53.050 -0.251 0.000 0.852 757 N CB -0.259 38.214 38.487 -0.023 0.000 1.018 757 N HN 0.197 nan 8.380 nan 0.000 0.423 758 D N -0.105 120.286 120.400 -0.016 0.000 2.116 758 D HA -0.168 4.471 4.640 -0.003 0.000 0.193 758 D C 2.029 178.367 176.300 0.065 0.000 0.998 758 D CA 2.198 56.224 54.000 0.044 0.000 0.836 758 D CB -0.896 39.929 40.800 0.042 0.000 0.951 758 D HN 0.593 nan 8.370 nan 0.000 0.449 759 T N -1.598 112.949 114.554 -0.013 0.000 2.788 759 T HA -0.134 4.214 4.350 -0.003 0.000 0.268 759 T C 1.755 176.523 174.700 0.113 0.000 1.044 759 T CA 1.127 63.256 62.100 0.048 0.000 1.139 759 T CB 0.024 68.883 68.868 -0.014 0.000 0.867 759 T HN -0.150 nan 8.240 nan 0.000 0.454 760 K N 1.072 121.404 120.400 -0.114 0.000 2.379 760 K HA 0.204 4.523 4.320 -0.003 0.000 0.194 760 K C 2.058 178.599 176.600 -0.098 0.000 1.031 760 K CA 1.050 57.246 56.287 -0.150 0.000 1.037 760 K CB 0.196 32.471 32.500 -0.375 0.000 0.824 760 K HN 0.711 nan 8.250 nan 0.000 0.516 761 T N -2.991 111.524 114.554 -0.065 0.000 3.058 761 T HA 0.047 4.395 4.350 -0.003 0.000 0.278 761 T C 1.556 176.263 174.700 0.012 0.000 0.974 761 T CA -0.439 61.646 62.100 -0.024 0.000 0.893 761 T CB -0.462 68.406 68.868 -0.000 0.000 1.138 761 T HN 0.189 nan 8.240 nan 0.000 0.529 762 Y N 1.791 122.067 120.300 -0.039 0.000 2.293 762 Y HA 0.124 4.673 4.550 -0.003 0.000 0.291 762 Y C 2.264 178.154 175.900 -0.017 0.000 1.137 762 Y CA 0.782 58.867 58.100 -0.026 0.000 1.202 762 Y CB -0.466 37.967 38.460 -0.045 0.000 0.990 762 Y HN 0.192 nan 8.280 nan 0.000 0.537 763 Q N 1.125 120.426 119.800 -0.832 0.000 2.049 763 Q HA -0.053 4.285 4.340 -0.003 0.000 0.198 763 Q C 2.647 178.498 176.000 -0.247 0.000 0.971 763 Q CA 1.267 56.695 55.803 -0.625 0.000 0.833 763 Q CB -0.341 28.014 28.738 -0.639 0.000 0.896 763 Q HN 0.646 nan 8.270 nan 0.000 0.434 764 A N 1.445 124.162 122.820 -0.171 0.000 1.969 764 A HA -0.207 4.112 4.320 -0.003 0.000 0.218 764 A C 1.820 179.383 177.584 -0.035 0.000 1.169 764 A CA 1.370 53.362 52.037 -0.076 0.000 0.635 764 A CB -0.314 18.661 19.000 -0.042 0.000 0.810 764 A HN 0.321 nan 8.150 nan 0.000 0.445 765 E N -0.426 119.762 120.200 -0.021 0.000 2.106 765 E HA -0.149 4.200 4.350 -0.003 0.000 0.192 765 E C 2.051 178.667 176.600 0.027 0.000 0.984 765 E CA 1.039 57.455 56.400 0.027 0.000 0.806 765 E CB -0.082 29.660 29.700 0.070 0.000 0.750 765 E HN 0.512 nan 8.360 nan 0.000 0.458 766 K N 0.516 120.920 120.400 0.007 0.000 2.097 766 K HA -0.090 4.228 4.320 -0.003 0.000 0.205 766 K C 2.081 178.684 176.600 0.004 0.000 1.050 766 K CA 0.983 57.280 56.287 0.016 0.000 0.938 766 K CB -0.052 32.455 32.500 0.012 0.000 0.718 766 K HN 0.068 nan 8.250 nan 0.000 0.442 767 A N 1.173 123.984 122.820 -0.015 0.000 2.019 767 A HA -0.121 4.197 4.320 -0.003 0.000 0.219 767 A C 1.861 179.447 177.584 0.004 0.000 1.164 767 A CA 1.065 53.096 52.037 -0.011 0.000 0.644 767 A CB -0.238 18.748 19.000 -0.023 0.000 0.805 767 A HN 0.267 nan 8.150 nan 0.000 0.449 768 R N -1.853 118.654 120.500 0.012 0.000 2.297 768 R HA 0.185 4.523 4.340 -0.003 0.000 0.197 768 R C 1.276 177.593 176.300 0.028 0.000 0.943 768 R CA 0.643 56.756 56.100 0.021 0.000 1.038 768 R CB 0.121 30.438 30.300 0.027 0.000 0.957 768 R HN 0.657 nan 8.270 nan 0.000 0.484 769 G N 0.376 109.195 108.800 0.031 0.000 2.229 769 G HA2 -0.217 3.741 3.960 -0.003 0.000 0.189 769 G HA3 -0.217 3.741 3.960 -0.003 0.000 0.189 769 G C -0.000 174.933 174.900 0.056 0.000 1.000 769 G CA -0.602 44.521 45.100 0.038 0.000 0.663 769 G HN 0.249 nan 8.290 nan 0.000 0.493 770 Q N -0.119 119.721 119.800 0.068 0.000 2.474 770 Q HA 0.484 4.822 4.340 -0.003 0.000 0.256 770 Q C 1.084 177.134 176.000 0.082 0.000 1.048 770 Q CA 0.636 56.497 55.803 0.097 0.000 0.922 770 Q CB 0.611 29.421 28.738 0.120 0.000 1.288 770 Q HN 0.586 nan 8.270 nan 0.000 0.484 771 Q N -0.136 119.720 119.800 0.094 0.000 2.631 771 Q HA 0.230 4.569 4.340 -0.003 0.000 0.220 771 Q C -0.286 175.712 176.000 -0.004 0.000 0.819 771 Q CA 0.059 55.889 55.803 0.046 0.000 0.914 771 Q CB 0.504 29.268 28.738 0.045 0.000 1.248 771 Q HN 0.699 nan 8.270 nan 0.000 0.629 772 A N 1.661 124.493 122.820 0.021 0.000 2.488 772 A HA 0.432 4.750 4.320 -0.003 0.000 0.249 772 A C 0.018 177.451 177.584 -0.253 0.000 1.083 772 A CA 0.407 52.376 52.037 -0.112 0.000 0.768 772 A CB 0.042 19.090 19.000 0.079 0.000 1.017 772 A HN 0.336 nan 8.150 nan 0.000 0.496 773 S N 0.667 116.016 115.700 -0.586 0.000 2.636 773 S HA 0.616 5.084 4.470 -0.003 0.000 0.268 773 S C 0.902 174.812 174.600 -1.149 0.000 1.159 773 S CA -0.179 57.603 58.200 -0.696 0.000 0.815 773 S CB 0.881 63.947 63.200 -0.224 0.000 1.130 773 S HN 1.402 nan 8.310 nan 0.000 0.471 774 G N 0.314 108.658 108.800 -0.760 0.000 2.432 774 G HA2 -0.033 3.926 3.960 -0.003 0.000 0.219 774 G HA3 -0.033 3.926 3.960 -0.003 0.000 0.219 774 G C 0.932 175.781 174.900 -0.085 0.000 1.135 774 G CA 1.116 46.029 45.100 -0.312 0.000 0.767 774 G HN 0.567 nan 8.290 nan 0.000 0.550 775 I N 1.764 122.159 120.570 -0.292 0.000 2.163 775 I HA -0.022 4.147 4.170 -0.003 0.000 0.240 775 I C 3.179 179.180 176.117 -0.193 0.000 1.081 775 I CA 1.335 62.441 61.300 -0.323 0.000 1.353 775 I CB -0.556 36.994 38.000 -0.749 0.000 1.054 775 I HN 0.185 nan 8.210 nan 0.000 0.407 776 A N -0.448 122.236 122.820 -0.227 0.000 1.902 776 A HA -0.212 4.107 4.320 -0.003 0.000 0.217 776 A C 2.412 179.891 177.584 -0.175 0.000 1.181 776 A CA 1.969 53.904 52.037 -0.170 0.000 0.623 776 A CB -1.358 17.541 19.000 -0.168 0.000 0.818 776 A HN 0.565 nan 8.150 nan 0.000 0.443 777 C N -2.476 116.688 119.300 -0.226 0.000 2.457 777 C HA -0.017 4.442 4.460 -0.003 0.000 0.278 777 C C 2.472 177.449 174.990 -0.022 0.000 1.309 777 C CA 0.817 59.739 59.018 -0.161 0.000 1.735 777 C CB -1.611 25.991 27.740 -0.230 0.000 1.992 777 C HN 0.719 nan 8.230 nan 0.000 0.493 778 Y N 1.594 121.844 120.300 -0.082 0.000 2.200 778 Y HA -0.178 4.370 4.550 -0.003 0.000 0.290 778 Y C 2.448 178.202 175.900 -0.244 0.000 1.137 778 Y CA 1.695 59.631 58.100 -0.273 0.000 1.163 778 Y CB -0.450 37.733 38.460 -0.462 0.000 0.988 778 Y HN 0.229 nan 8.280 nan 0.000 0.518 779 M N 0.084 119.630 119.600 -0.090 0.000 2.117 779 M HA -0.241 4.238 4.480 -0.003 0.000 0.262 779 M C 2.338 178.521 176.300 -0.196 0.000 1.065 779 M CA 1.976 57.193 55.300 -0.138 0.000 1.114 779 M CB -0.359 32.205 32.600 -0.060 0.000 1.361 779 M HN 0.125 nan 8.290 nan 0.000 0.408 780 K N 0.412 120.705 120.400 -0.178 0.000 2.097 780 K HA -0.194 4.125 4.320 -0.003 0.000 0.206 780 K C 1.163 177.644 176.600 -0.198 0.000 1.049 780 K CA 1.644 57.827 56.287 -0.173 0.000 0.933 780 K CB 0.016 32.409 32.500 -0.178 0.000 0.717 780 K HN 0.205 nan 8.250 nan 0.000 0.442 781 D N 0.444 120.690 120.400 -0.257 0.000 2.219 781 D HA -0.050 4.588 4.640 -0.003 0.000 0.205 781 D C -0.007 176.090 176.300 -0.337 0.000 0.970 781 D CA 0.885 54.717 54.000 -0.280 0.000 0.851 781 D CB 0.091 40.694 40.800 -0.329 0.000 0.943 781 D HN 0.174 nan 8.370 nan 0.000 0.488 782 N N 1.103 119.544 118.700 -0.432 0.000 2.682 782 N HA 0.216 4.954 4.740 -0.003 0.000 0.252 782 N C -2.758 172.601 175.510 -0.252 0.000 1.081 782 N CA -1.081 51.727 53.050 -0.404 0.000 0.844 782 N CB 2.118 40.200 38.487 -0.674 0.000 1.167 782 N HN -0.083 nan 8.380 nan 0.000 0.523 783 P HA 0.041 nan 4.420 nan 0.000 0.262 783 P C 1.036 178.280 177.300 -0.093 0.000 1.182 783 P CA 0.859 63.891 63.100 -0.115 0.000 0.761 783 P CB 0.527 32.173 31.700 -0.090 0.000 0.795 784 G N 1.818 110.575 108.800 -0.071 0.000 2.176 784 G HA2 -0.194 3.764 3.960 -0.003 0.000 0.253 784 G HA3 -0.194 3.764 3.960 -0.003 0.000 0.253 784 G C 0.427 175.303 174.900 -0.039 0.000 0.979 784 G CA -0.016 45.055 45.100 -0.048 0.000 0.641 784 G HN 0.855 nan 8.290 nan 0.000 0.530 785 A N 0.746 123.533 122.820 -0.054 0.000 2.440 785 A HA 0.699 5.017 4.320 -0.003 0.000 0.251 785 A C 0.967 178.554 177.584 0.006 0.000 1.089 785 A CA 1.202 53.233 52.037 -0.010 0.000 0.779 785 A CB 0.270 19.266 19.000 -0.008 0.000 1.022 785 A HN 1.748 nan 8.150 nan 0.000 0.492 786 T N -0.197 114.369 114.554 0.021 0.000 2.881 786 T HA 0.348 4.697 4.350 -0.003 0.000 0.278 786 T C 0.779 175.486 174.700 0.012 0.000 0.982 786 T CA -0.052 62.056 62.100 0.014 0.000 0.989 786 T CB 0.739 69.614 68.868 0.012 0.000 1.058 786 T HN 0.662 nan 8.240 nan 0.000 0.529 787 E N 0.064 120.269 120.200 0.008 0.000 2.118 787 E HA -0.190 4.158 4.350 -0.003 0.000 0.195 787 E C 1.992 178.573 176.600 -0.032 0.000 0.992 787 E CA 1.168 57.560 56.400 -0.014 0.000 0.804 787 E CB -0.056 29.681 29.700 0.063 0.000 0.741 787 E HN 0.785 nan 8.360 nan 0.000 0.458 788 E N 0.945 121.144 120.200 -0.002 0.000 2.038 788 E HA -0.221 4.127 4.350 -0.003 0.000 0.195 788 E C 1.712 178.289 176.600 -0.037 0.000 1.000 788 E CA 1.232 57.627 56.400 -0.009 0.000 0.803 788 E CB 0.055 29.759 29.700 0.006 0.000 0.750 788 E HN 0.220 nan 8.360 nan 0.000 0.448 789 D N -0.086 120.300 120.400 -0.023 0.000 2.182 789 D HA -0.167 4.471 4.640 -0.003 0.000 0.201 789 D C 1.737 177.949 176.300 -0.147 0.000 0.986 789 D CA 1.173 55.157 54.000 -0.027 0.000 0.847 789 D CB -0.090 40.738 40.800 0.047 0.000 0.942 789 D HN 0.223 nan 8.370 nan 0.000 0.467 790 A N 0.752 123.459 122.820 -0.188 0.000 1.897 790 A HA -0.073 4.245 4.320 -0.003 0.000 0.215 790 A C 2.343 179.698 177.584 -0.382 0.000 1.181 790 A CA 0.561 52.309 52.037 -0.482 0.000 0.620 790 A CB -0.563 18.297 19.000 -0.233 0.000 0.821 790 A HN 0.129 nan 8.150 nan 0.000 0.443 791 I N -0.720 119.717 120.570 -0.221 0.000 2.286 791 I HA -0.242 3.926 4.170 -0.003 0.000 0.248 791 I C 2.424 178.467 176.117 -0.123 0.000 1.115 791 I CA 1.402 62.609 61.300 -0.153 0.000 1.392 791 I CB -0.114 37.836 38.000 -0.084 0.000 1.065 791 I HN 0.151 nan 8.210 nan 0.000 0.418 792 K N 0.013 120.345 120.400 -0.112 0.000 2.009 792 K HA -0.263 4.055 4.320 -0.003 0.000 0.210 792 K C 2.134 178.663 176.600 -0.119 0.000 1.049 792 K CA 1.791 58.026 56.287 -0.086 0.000 0.929 792 K CB -0.580 31.887 32.500 -0.055 0.000 0.714 792 K HN 0.370 nan 8.250 nan 0.000 0.440 793 H N -0.048 118.844 119.070 -0.297 0.000 2.319 793 H HA -0.034 4.521 4.556 -0.003 0.000 0.299 793 H C 1.778 176.947 175.328 -0.266 0.000 1.092 793 H CA 2.095 57.935 56.048 -0.346 0.000 1.302 793 H CB -0.110 29.226 29.762 -0.711 0.000 1.373 793 H HN 0.136 nan 8.280 nan 0.000 0.497 794 I N -0.447 119.986 120.570 -0.229 0.000 2.226 794 I HA -0.330 3.838 4.170 -0.003 0.000 0.245 794 I C 2.305 178.359 176.117 -0.104 0.000 1.100 794 I CA 1.027 62.265 61.300 -0.104 0.000 1.374 794 I CB -0.303 37.685 38.000 -0.020 0.000 1.057 794 I HN 0.466 nan 8.210 nan 0.000 0.413 795 C N 0.624 119.863 119.300 -0.101 0.000 2.432 795 C HA -0.082 4.377 4.460 -0.003 0.000 0.280 795 C C 2.832 177.776 174.990 -0.077 0.000 1.353 795 C CA 0.431 59.411 59.018 -0.063 0.000 1.766 795 C CB -1.190 26.526 27.740 -0.041 0.000 1.924 795 C HN 0.424 nan 8.230 nan 0.000 0.509 796 R N 0.686 121.107 120.500 -0.132 0.000 2.075 796 R HA -0.045 4.293 4.340 -0.003 0.000 0.232 796 R C 2.137 178.363 176.300 -0.123 0.000 1.126 796 R CA 1.005 57.030 56.100 -0.125 0.000 0.963 796 R CB -1.385 28.816 30.300 -0.166 0.000 0.858 796 R HN 0.430 nan 8.270 nan 0.000 0.435 797 V N 1.153 120.953 119.914 -0.190 0.000 2.287 797 V HA -0.206 3.912 4.120 -0.003 0.000 0.248 797 V C 2.614 178.691 176.094 -0.028 0.000 1.053 797 V CA 1.686 63.924 62.300 -0.103 0.000 1.027 797 V CB -0.511 31.275 31.823 -0.061 0.000 0.646 797 V HN 0.025 nan 8.190 nan 0.000 0.447 798 V N 0.030 119.930 119.914 -0.024 0.000 2.358 798 V HA -0.215 3.904 4.120 -0.003 0.000 0.246 798 V C 2.280 178.357 176.094 -0.029 0.000 1.047 798 V CA 2.062 64.357 62.300 -0.009 0.000 1.035 798 V CB -0.696 31.129 31.823 0.003 0.000 0.658 798 V HN 0.542 nan 8.190 nan 0.000 0.452 799 D N -0.017 120.367 120.400 -0.026 0.000 2.123 799 D HA -0.207 4.432 4.640 -0.003 0.000 0.196 799 D C 2.263 178.564 176.300 0.002 0.000 0.992 799 D CA 1.633 55.625 54.000 -0.014 0.000 0.833 799 D CB -0.298 40.504 40.800 0.005 0.000 0.954 799 D HN 0.415 nan 8.370 nan 0.000 0.455 800 R N 0.755 121.259 120.500 0.007 0.000 2.092 800 R HA -0.018 4.320 4.340 -0.003 0.000 0.231 800 R C 2.048 178.373 176.300 0.042 0.000 1.119 800 R CA 1.428 57.548 56.100 0.033 0.000 0.970 800 R CB -0.167 30.146 30.300 0.021 0.000 0.864 800 R HN 0.083 nan 8.270 nan 0.000 0.440 801 A N 1.190 124.021 122.820 0.018 0.000 1.969 801 A HA -0.055 4.263 4.320 -0.003 0.000 0.218 801 A C 2.166 179.754 177.584 0.007 0.000 1.169 801 A CA 0.986 53.036 52.037 0.023 0.000 0.635 801 A CB -0.384 18.624 19.000 0.014 0.000 0.810 801 A HN 0.362 nan 8.150 nan 0.000 0.445 802 L N -0.938 120.240 121.223 -0.074 0.000 2.056 802 L HA -0.166 4.172 4.340 -0.003 0.000 0.207 802 L C 2.529 179.408 176.870 0.015 0.000 1.078 802 L CA 1.570 56.263 54.840 -0.245 0.000 0.749 802 L CB -0.395 41.254 42.059 -0.684 0.000 0.901 802 L HN 0.340 nan 8.230 nan 0.000 0.433 803 K N -0.148 120.343 120.400 0.152 0.000 2.097 803 K HA -0.197 4.121 4.320 -0.003 0.000 0.205 803 K C 2.033 178.859 176.600 0.377 0.000 1.050 803 K CA 1.164 57.677 56.287 0.377 0.000 0.938 803 K CB -0.057 32.623 32.500 0.300 0.000 0.718 803 K HN 0.254 nan 8.250 nan 0.000 0.442 804 E N 0.702 121.040 120.200 0.229 0.000 2.072 804 E HA -0.175 4.173 4.350 -0.003 0.000 0.191 804 E C 1.954 178.696 176.600 0.235 0.000 0.985 804 E CA 0.939 57.463 56.400 0.207 0.000 0.801 804 E CB 0.001 29.777 29.700 0.127 0.000 0.750 804 E HN 0.323 nan 8.360 nan 0.000 0.452 805 A N 0.447 123.397 122.820 0.216 0.000 1.933 805 A HA -0.169 4.149 4.320 -0.003 0.000 0.218 805 A C 2.336 180.087 177.584 0.279 0.000 1.175 805 A CA 1.745 53.923 52.037 0.234 0.000 0.628 805 A CB -0.504 18.645 19.000 0.248 0.000 0.814 805 A HN 0.242 nan 8.150 nan 0.000 0.444 806 S N -0.833 115.166 115.700 0.498 0.000 2.353 806 S HA -0.179 4.289 4.470 -0.003 0.000 0.222 806 S C 1.688 176.422 174.600 0.224 0.000 1.035 806 S CA 1.592 60.127 58.200 0.558 0.000 1.025 806 S CB -0.609 63.244 63.200 1.088 0.000 0.902 806 S HN 0.684 nan 8.310 nan 0.000 0.440 807 F N 2.857 122.698 119.950 -0.183 0.000 2.091 807 F HA -0.169 4.356 4.527 -0.003 0.000 0.299 807 F C 2.312 177.879 175.800 -0.388 0.000 1.103 807 F CA 1.635 59.138 58.000 -0.829 0.000 1.228 807 F CB -0.386 38.171 39.000 -0.738 0.000 0.984 807 F HN 0.073 nan 8.300 nan 0.000 0.477 808 E N -0.345 119.623 120.200 -0.386 0.000 2.077 808 E HA -0.293 4.055 4.350 -0.003 0.000 0.193 808 E C 2.141 178.481 176.600 -0.433 0.000 0.989 808 E CA 1.717 57.860 56.400 -0.428 0.000 0.800 808 E CB -1.210 28.409 29.700 -0.135 0.000 0.746 808 E HN 0.690 nan 8.360 nan 0.000 0.452 809 Y N 0.160 120.093 120.300 -0.611 0.000 2.114 809 Y HA -0.271 4.278 4.550 -0.003 0.000 0.282 809 Y C 1.837 177.310 175.900 -0.712 0.000 1.165 809 Y CA 1.607 59.191 58.100 -0.861 0.000 1.148 809 Y CB -0.190 37.224 38.460 -1.744 0.000 0.972 809 Y HN -0.073 nan 8.280 nan 0.000 0.504 810 F N 0.712 120.382 119.950 -0.468 0.000 2.797 810 F HA 0.153 4.678 4.527 -0.003 0.000 0.302 810 F C 1.061 176.589 175.800 -0.454 0.000 1.130 810 F CA 0.183 57.926 58.000 -0.428 0.000 1.387 810 F CB -0.449 38.486 39.000 -0.109 0.000 1.107 810 F HN -0.205 nan 8.300 nan 0.000 0.577 811 K N 2.306 122.431 120.400 -0.458 0.000 2.451 811 K HA 0.066 4.385 4.320 -0.003 0.000 0.280 811 K C -2.392 174.026 176.600 -0.303 0.000 1.020 811 K CA -1.602 54.406 56.287 -0.465 0.000 1.008 811 K CB 0.334 32.473 32.500 -0.603 0.000 0.917 811 K HN -0.119 nan 8.250 nan 0.000 0.478 812 P HA -0.001 nan 4.420 nan 0.000 0.267 812 P C -1.241 175.963 177.300 -0.160 0.000 1.205 812 P CA -0.016 62.980 63.100 -0.172 0.000 0.765 812 P CB 1.175 32.800 31.700 -0.126 0.000 0.828 813 S N 2.130 117.738 115.700 -0.154 0.000 2.571 813 S HA 0.301 4.769 4.470 -0.003 0.000 0.284 813 S C 0.752 175.289 174.600 -0.105 0.000 1.128 813 S CA -0.600 57.522 58.200 -0.129 0.000 0.970 813 S CB 0.737 63.851 63.200 -0.144 0.000 1.039 813 S HN 0.325 nan 8.310 nan 0.000 0.485 814 N N 2.441 121.091 118.700 -0.084 0.000 2.415 814 N HA 0.007 4.746 4.740 -0.003 0.000 0.176 814 N C 0.691 176.162 175.510 -0.066 0.000 1.042 814 N CA 1.436 54.444 53.050 -0.070 0.000 0.902 814 N CB 0.227 38.680 38.487 -0.056 0.000 0.986 814 N HN 0.750 nan 8.380 nan 0.000 0.447 815 D N -1.335 119.023 120.400 -0.070 0.000 2.520 815 D HA 0.085 4.724 4.640 -0.003 0.000 0.223 815 D C -0.212 176.046 176.300 -0.071 0.000 1.186 815 D CA -0.211 53.750 54.000 -0.064 0.000 0.821 815 D CB -0.271 40.495 40.800 -0.057 0.000 1.072 815 D HN 0.190 nan 8.370 nan 0.000 0.518 816 I N 2.195 122.715 120.570 -0.082 0.000 2.301 816 I HA 0.253 4.422 4.170 -0.003 0.000 0.292 816 I C -2.200 173.868 176.117 -0.082 0.000 1.046 816 I CA -1.962 59.288 61.300 -0.084 0.000 1.282 816 I CB 1.117 39.059 38.000 -0.097 0.000 1.409 816 I HN -0.348 nan 8.210 nan 0.000 0.484 817 P HA 0.054 nan 4.420 nan 0.000 0.263 817 P C 0.706 177.972 177.300 -0.056 0.000 1.195 817 P CA -0.111 62.953 63.100 -0.059 0.000 0.762 817 P CB 0.559 32.225 31.700 -0.057 0.000 0.799 818 M N 2.443 122.009 119.600 -0.056 0.000 2.175 818 M HA -0.067 4.411 4.480 -0.003 0.000 0.264 818 M C 2.051 178.351 176.300 -0.001 0.000 1.063 818 M CA 1.807 57.076 55.300 -0.051 0.000 1.119 818 M CB -1.473 31.092 32.600 -0.058 0.000 1.377 818 M HN 0.541 nan 8.290 nan 0.000 0.415 819 G N -0.386 108.406 108.800 -0.014 0.000 2.433 819 G HA2 -0.215 3.743 3.960 -0.003 0.000 0.216 819 G HA3 -0.215 3.743 3.960 -0.003 0.000 0.216 819 G C 1.663 176.513 174.900 -0.082 0.000 1.186 819 G CA 1.129 46.194 45.100 -0.058 0.000 0.779 819 G HN 0.494 nan 8.290 nan 0.000 0.543 820 C N 0.139 119.399 119.300 -0.067 0.000 2.432 820 C HA 0.041 4.499 4.460 -0.003 0.000 0.277 820 C C 2.706 177.733 174.990 0.061 0.000 1.249 820 C CA 1.119 60.118 59.018 -0.032 0.000 1.725 820 C CB -0.753 26.961 27.740 -0.044 0.000 2.028 820 C HN 0.542 nan 8.230 nan 0.000 0.477 821 K N 1.063 121.495 120.400 0.053 0.000 2.032 821 K HA -0.166 4.152 4.320 -0.003 0.000 0.209 821 K C 2.145 178.866 176.600 0.202 0.000 1.048 821 K CA 1.858 58.207 56.287 0.104 0.000 0.927 821 K CB -0.166 32.355 32.500 0.035 0.000 0.712 821 K HN 0.417 nan 8.250 nan 0.000 0.441 822 S N 0.340 116.174 115.700 0.224 0.000 2.383 822 S HA -0.117 4.351 4.470 -0.003 0.000 0.227 822 S C 1.495 176.124 174.600 0.048 0.000 1.026 822 S CA 1.078 59.406 58.200 0.213 0.000 0.981 822 S CB -0.367 62.962 63.200 0.214 0.000 0.818 822 S HN 0.398 nan 8.310 nan 0.000 0.472 823 F N 2.211 122.091 119.950 -0.116 0.000 2.171 823 F HA -0.077 4.448 4.527 -0.003 0.000 0.300 823 F C 1.797 177.493 175.800 -0.174 0.000 1.090 823 F CA 1.246 59.130 58.000 -0.195 0.000 1.293 823 F CB -0.207 38.643 39.000 -0.249 0.000 1.013 823 F HN 0.121 nan 8.300 nan 0.000 0.486 824 I N -0.941 119.620 120.570 -0.014 0.000 2.233 824 I HA -0.257 3.912 4.170 -0.003 0.000 0.243 824 I C 2.338 178.329 176.117 -0.210 0.000 1.093 824 I CA 1.307 62.540 61.300 -0.112 0.000 1.380 824 I CB -0.663 37.388 38.000 0.085 0.000 1.067 824 I HN 0.176 nan 8.210 nan 0.000 0.413 825 F N 2.091 121.859 119.950 -0.304 0.000 2.126 825 F HA -0.264 4.261 4.527 -0.003 0.000 0.299 825 F C 2.008 177.528 175.800 -0.467 0.000 1.096 825 F CA 1.892 59.635 58.000 -0.429 0.000 1.255 825 F CB -0.250 38.324 39.000 -0.710 0.000 0.997 825 F HN 0.086 nan 8.300 nan 0.000 0.479 826 N N 0.260 118.658 118.700 -0.503 0.000 2.521 826 N HA -0.006 4.732 4.740 -0.003 0.000 0.188 826 N C 1.533 176.733 175.510 -0.516 0.000 1.146 826 N CA 0.018 52.726 53.050 -0.570 0.000 0.893 826 N CB 0.032 38.283 38.487 -0.394 0.000 0.975 826 N HN 0.346 nan 8.380 nan 0.000 0.451 827 L N 1.018 121.931 121.223 -0.516 0.000 2.395 827 L HA -0.025 4.313 4.340 -0.003 0.000 0.218 827 L C 2.537 179.411 176.870 0.007 0.000 1.130 827 L CA 0.385 55.034 54.840 -0.319 0.000 0.826 827 L CB -0.202 41.629 42.059 -0.380 0.000 0.941 827 L HN 0.298 nan 8.230 nan 0.000 0.451 828 R N 0.781 121.167 120.500 -0.190 0.000 2.152 828 R HA -0.156 4.182 4.340 -0.003 0.000 0.232 828 R C 1.902 178.176 176.300 -0.043 0.000 1.117 828 R CA 1.122 57.197 56.100 -0.042 0.000 0.981 828 R CB -0.570 29.540 30.300 -0.317 0.000 0.870 828 R HN 0.346 nan 8.270 nan 0.000 0.451 829 L N 1.589 122.696 121.223 -0.193 0.000 1.989 829 L HA -0.247 4.091 4.340 -0.003 0.000 0.211 829 L C 3.242 180.085 176.870 -0.045 0.000 1.071 829 L CA 1.789 56.528 54.840 -0.169 0.000 0.749 829 L CB -1.049 40.853 42.059 -0.262 0.000 0.890 829 L HN 0.492 nan 8.230 nan 0.000 0.431 830 C N -1.789 117.500 119.300 -0.017 0.000 2.413 830 C HA -0.089 4.369 4.460 -0.003 0.000 0.276 830 C C 2.610 177.663 174.990 0.107 0.000 1.248 830 C CA 0.156 59.234 59.018 0.101 0.000 1.742 830 C CB -1.209 26.574 27.740 0.072 0.000 2.017 830 C HN 0.330 nan 8.230 nan 0.000 0.481 831 V N 1.180 121.037 119.914 -0.095 0.000 2.358 831 V HA -0.175 3.943 4.120 -0.003 0.000 0.246 831 V C 3.058 179.214 176.094 0.103 0.000 1.047 831 V CA 2.105 64.334 62.300 -0.117 0.000 1.035 831 V CB -0.735 30.918 31.823 -0.284 0.000 0.658 831 V HN 0.528 nan 8.190 nan 0.000 0.452 832 Q N -0.568 119.288 119.800 0.093 0.000 2.084 832 Q HA -0.158 4.180 4.340 -0.003 0.000 0.202 832 Q C 2.197 178.265 176.000 0.114 0.000 0.978 832 Q CA 1.919 57.790 55.803 0.114 0.000 0.844 832 Q CB -0.444 28.332 28.738 0.064 0.000 0.898 832 Q HN 0.648 nan 8.270 nan 0.000 0.426 833 I N -0.626 120.005 120.570 0.102 0.000 2.333 833 I HA -0.191 3.978 4.170 -0.003 0.000 0.246 833 I C 1.581 177.725 176.117 0.046 0.000 1.106 833 I CA 0.647 62.011 61.300 0.106 0.000 1.411 833 I CB 0.002 38.074 38.000 0.119 0.000 1.082 833 I HN 0.006 nan 8.210 nan 0.000 0.420 834 F N 0.018 119.895 119.950 -0.122 0.000 2.408 834 F HA -0.187 4.338 4.527 -0.003 0.000 0.300 834 F C 1.176 176.713 175.800 -0.438 0.000 1.090 834 F CA 1.387 59.188 58.000 -0.332 0.000 1.427 834 F CB -0.152 38.479 39.000 -0.615 0.000 1.070 834 F HN 0.131 nan 8.300 nan 0.000 0.549 835 Y N -0.862 119.549 120.300 0.186 0.000 2.607 835 Y HA 0.185 4.733 4.550 -0.003 0.000 0.266 835 Y C 1.052 176.993 175.900 0.068 0.000 1.178 835 Y CA -0.622 57.544 58.100 0.111 0.000 1.226 835 Y CB -0.073 38.437 38.460 0.085 0.000 1.144 835 Y HN -0.213 nan 8.280 nan 0.000 0.528 848 I N 2.087 122.303 120.570 -0.590 0.000 2.286 848 I HA -0.117 4.052 4.170 -0.003 0.000 0.248 848 I C 1.858 177.687 176.117 -0.480 0.000 1.115 848 I CA 1.656 62.547 61.300 -0.682 0.000 1.392 848 I CB -0.158 37.598 38.000 -0.408 0.000 1.065 848 I HN 0.484 nan 8.210 nan 0.000 0.418 849 K N 0.199 120.426 120.400 -0.287 0.000 2.152 849 K HA -0.201 4.117 4.320 -0.003 0.000 0.206 849 K C 1.698 178.206 176.600 -0.153 0.000 1.048 849 K CA 1.610 57.800 56.287 -0.162 0.000 0.933 849 K CB -0.261 32.180 32.500 -0.099 0.000 0.721 849 K HN 0.402 nan 8.250 nan 0.000 0.447 850 D N -0.163 120.101 120.400 -0.226 0.000 2.117 850 D HA -0.135 4.503 4.640 -0.003 0.000 0.198 850 D C 1.862 178.143 176.300 -0.031 0.000 0.982 850 D CA 1.143 55.066 54.000 -0.129 0.000 0.828 850 D CB -0.167 40.550 40.800 -0.138 0.000 0.967 850 D HN 0.177 nan 8.370 nan 0.000 0.464 851 Y N 0.889 121.069 120.300 -0.200 0.000 2.224 851 Y HA -0.043 4.505 4.550 -0.003 0.000 0.289 851 Y C 2.467 178.231 175.900 -0.226 0.000 1.146 851 Y CA -0.017 57.928 58.100 -0.258 0.000 1.182 851 Y CB -0.918 37.234 38.460 -0.513 0.000 0.983 851 Y HN 0.014 nan 8.280 nan 0.000 0.524 852 I N -0.369 120.156 120.570 -0.074 0.000 2.353 852 I HA -0.253 3.915 4.170 -0.003 0.000 0.248 852 I C 2.420 178.636 176.117 0.164 0.000 1.119 852 I CA 1.015 62.370 61.300 0.092 0.000 1.417 852 I CB -0.291 37.778 38.000 0.115 0.000 1.078 852 I HN 0.097 nan 8.210 nan 0.000 0.421 853 R N 0.715 121.268 120.500 0.089 0.000 2.073 853 R HA -0.184 4.154 4.340 -0.003 0.000 0.234 853 R C 2.314 178.674 176.300 0.101 0.000 1.134 853 R CA 1.262 57.420 56.100 0.097 0.000 0.952 853 R CB -0.404 29.928 30.300 0.053 0.000 0.850 853 R HN 0.304 nan 8.270 nan 0.000 0.433 854 K N 0.498 120.942 120.400 0.074 0.000 2.057 854 K HA -0.100 4.218 4.320 -0.003 0.000 0.207 854 K C 1.975 178.619 176.600 0.074 0.000 1.049 854 K CA 1.229 57.549 56.287 0.054 0.000 0.931 854 K CB 0.147 32.676 32.500 0.048 0.000 0.714 854 K HN 0.010 nan 8.250 nan 0.000 0.440 855 V N -0.396 119.554 119.914 0.061 0.000 2.685 855 V HA -0.114 4.004 4.120 -0.003 0.000 0.244 855 V C 1.213 177.320 176.094 0.023 0.000 1.054 855 V CA 1.241 63.553 62.300 0.020 0.000 1.076 855 V CB -0.130 31.549 31.823 -0.240 0.000 0.725 855 V HN 0.246 nan 8.190 nan 0.000 0.467 856 Y N -1.919 118.557 120.300 0.294 0.000 2.535 856 Y HA 0.313 4.862 4.550 -0.003 0.000 0.264 856 Y C 1.954 177.971 175.900 0.195 0.000 1.087 856 Y CA -0.196 58.066 58.100 0.270 0.000 1.285 856 Y CB 0.209 38.834 38.460 0.275 0.000 1.200 856 Y HN 0.056 nan 8.280 nan 0.000 0.514 857 I N -0.592 120.153 120.570 0.292 0.000 2.685 857 I HA 0.021 4.189 4.170 -0.003 0.000 0.251 857 I C -0.276 175.930 176.117 0.149 0.000 1.102 857 I CA 0.717 62.133 61.300 0.193 0.000 1.442 857 I CB -0.776 37.311 38.000 0.145 0.000 1.194 857 I HN -0.049 nan 8.210 nan 0.000 0.448 858 D N 3.219 123.699 120.400 0.133 0.000 2.295 858 D HA 0.298 4.937 4.640 -0.003 0.000 0.248 858 D C -2.201 174.170 176.300 0.118 0.000 1.154 858 D CA -1.470 52.590 54.000 0.100 0.000 0.857 858 D CB 1.016 41.856 40.800 0.066 0.000 1.117 858 D HN 0.057 nan 8.370 nan 0.000 0.468 859 P HA 0.190 nan 4.420 nan 0.000 0.273 859 P C -0.022 177.330 177.300 0.087 0.000 1.250 859 P CA -0.338 62.837 63.100 0.125 0.000 0.793 859 P CB 0.807 32.569 31.700 0.104 0.000 1.011 860 I N 0.188 120.814 120.570 0.094 0.000 2.428 860 I HA 0.234 4.402 4.170 -0.003 0.000 0.296 860 I C 0.859 177.020 176.117 0.072 0.000 0.985 860 I CA -0.864 60.457 61.300 0.034 0.000 1.260 860 I CB 0.782 38.770 38.000 -0.020 0.000 1.389 860 I HN 0.314 nan 8.210 nan 0.000 0.484 861 Q N 4.862 124.685 119.800 0.039 0.000 2.296 861 Q HA 0.369 4.708 4.340 -0.003 0.000 0.262 861 Q C -1.250 174.774 176.000 0.039 0.000 0.981 861 Q CA -0.116 55.715 55.803 0.045 0.000 0.905 861 Q CB 1.089 29.841 28.738 0.023 0.000 1.186 861 Q HN 0.554 nan 8.270 nan 0.000 0.399 862 V N 0.000 119.941 119.914 0.045 0.000 2.409 862 V HA 0.000 4.118 4.120 -0.003 0.000 0.244 862 V CA 0.000 62.303 62.300 0.005 0.000 1.235 862 V CB 0.000 31.808 31.823 -0.025 0.000 1.184 862 V HN 0.000 nan 8.190 nan 0.000 0.556