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 1xai_1_A DATA FIRST_RESID 1 DATA SEQUENCE MKLQTTYPSN NYPIYVEHGA IKYIGTYLNQ FDQSFLLIDE YVNQYFANKF DATA SEQUENCE DDILSYENVH KVIIPAGEKT KTFEQYQETL EYILSHHVTR NTAIIAVGGG DATA SEQUENCE ATGDFAGFVA ATLLRGVHFI QVPTTILAHD SSVGGKVGIN SKQGKNLIGA DATA SEQUENCE FYRPTAVIYD LDFLKTLPFK QILSGYAEVY KHALLNGESA TQDIEQHFKD DATA SEQUENCE REILQSLNGM DKYIAKGIET KLDIVVADEK EQGVRKFLNL GHTFGHAVEY DATA SEQUENCE YHKIPHGHAV MVGIIYQFIV ANALFDSKHD ISHYIQYLIQ LGYPLDMITD DATA SEQUENCE LDFETLYQYM LSDKKNDKQG VQMVLMRQFG DIVVQHVDQL TLQHACEQLK DATA SEQUENCE TY VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.386 176.300 0.144 0.000 1.140 1 M CA 0.000 55.375 55.300 0.125 0.000 0.988 1 M CB 0.000 32.649 32.600 0.082 0.000 1.302 2 K N 4.954 125.421 120.400 0.110 0.000 2.138 2 K HA 0.876 5.196 4.320 -0.000 0.000 0.263 2 K C -1.843 174.729 176.600 -0.048 0.000 0.965 2 K CA -0.565 55.740 56.287 0.030 0.000 0.868 2 K CB 1.452 34.002 32.500 0.083 0.000 1.083 2 K HN 0.799 nan 8.250 nan 0.000 0.443 3 L N 1.929 123.072 121.223 -0.135 0.000 2.303 3 L HA 0.506 4.845 4.340 -0.000 0.000 0.256 3 L C -1.108 175.652 176.870 -0.183 0.000 1.034 3 L CA -1.006 53.760 54.840 -0.124 0.000 0.832 3 L CB 2.504 44.508 42.059 -0.092 0.000 1.403 3 L HN 0.732 nan 8.230 nan 0.000 0.419 4 Q N 0.406 120.097 119.800 -0.181 0.000 2.295 4 Q HA 0.322 4.662 4.340 -0.000 0.000 0.268 4 Q C -1.314 174.519 176.000 -0.279 0.000 1.010 4 Q CA -0.658 55.010 55.803 -0.226 0.000 0.856 4 Q CB 2.281 30.929 28.738 -0.152 0.000 1.349 4 Q HN 0.706 nan 8.270 nan 0.000 0.412 5 T N 0.622 114.923 114.554 -0.422 0.000 2.853 5 T HA 0.150 4.500 4.350 -0.000 0.000 0.298 5 T C 0.757 175.254 174.700 -0.339 0.000 0.978 5 T CA 0.037 61.850 62.100 -0.477 0.000 1.152 5 T CB 0.577 69.078 68.868 -0.612 0.000 0.914 5 T HN 0.630 nan 8.240 nan 0.000 0.539 6 T N 1.052 115.375 114.554 -0.385 0.000 3.341 6 T HA 0.269 4.619 4.350 -0.000 0.000 0.234 6 T C -0.073 174.500 174.700 -0.212 0.000 0.890 6 T CA -0.737 61.218 62.100 -0.242 0.000 0.952 6 T CB -1.133 67.621 68.868 -0.190 0.000 1.146 6 T HN 0.645 nan 8.240 nan 0.000 0.591 7 Y N 0.900 121.158 120.300 -0.069 0.000 2.295 7 Y HA 0.298 4.848 4.550 -0.000 0.000 0.331 7 Y C -0.962 174.918 175.900 -0.033 0.000 1.311 7 Y CA -2.558 55.517 58.100 -0.043 0.000 1.430 7 Y CB 0.433 38.876 38.460 -0.029 0.000 1.339 7 Y HN 0.081 nan 8.280 nan 0.000 0.552 8 P HA -0.132 nan 4.420 nan 0.000 0.212 8 P C 0.032 177.368 177.300 0.060 0.000 1.180 8 P CA 1.704 64.849 63.100 0.076 0.000 0.906 8 P CB 0.057 31.788 31.700 0.051 0.000 0.782 9 S N -1.400 114.332 115.700 0.052 0.000 2.677 9 S HA 0.206 4.676 4.470 -0.000 0.000 0.290 9 S C -0.059 174.569 174.600 0.047 0.000 1.124 9 S CA -0.843 57.376 58.200 0.032 0.000 1.017 9 S CB -0.550 62.651 63.200 0.002 0.000 1.215 9 S HN 0.066 nan 8.310 nan 0.000 0.524 10 N N 2.535 121.252 118.700 0.030 0.000 2.524 10 N HA -0.150 4.590 4.740 -0.000 0.000 0.329 10 N C -1.010 174.566 175.510 0.110 0.000 1.153 10 N CA 0.780 53.857 53.050 0.045 0.000 0.804 10 N CB -1.089 37.395 38.487 -0.006 0.000 1.031 10 N HN 0.530 nan 8.380 nan 0.000 0.574 11 N N 1.303 120.077 118.700 0.124 0.000 2.384 11 N HA 0.426 5.165 4.740 -0.000 0.000 0.301 11 N C -0.445 175.150 175.510 0.142 0.000 1.133 11 N CA -0.457 52.669 53.050 0.126 0.000 0.853 11 N CB 1.335 39.843 38.487 0.035 0.000 1.241 11 N HN 0.409 nan 8.380 nan 0.000 0.502 12 Y N -1.197 119.143 120.300 0.067 0.000 2.524 12 Y HA 0.732 5.281 4.550 -0.000 0.000 0.344 12 Y C -2.839 173.044 175.900 -0.029 0.000 1.012 12 Y CA -2.493 55.628 58.100 0.036 0.000 1.068 12 Y CB 0.964 39.445 38.460 0.035 0.000 1.249 12 Y HN 0.331 nan 8.280 nan 0.000 0.468 13 P HA 0.503 nan 4.420 nan 0.000 0.281 13 P C -1.002 176.160 177.300 -0.231 0.000 1.281 13 P CA -0.399 62.567 63.100 -0.224 0.000 0.811 13 P CB 2.256 33.738 31.700 -0.365 0.000 1.154 14 I N 0.403 120.715 120.570 -0.429 0.000 2.560 14 I HA 0.217 4.387 4.170 -0.000 0.000 0.283 14 I C -0.932 175.007 176.117 -0.297 0.000 1.115 14 I CA -0.624 60.541 61.300 -0.225 0.000 1.066 14 I CB 1.265 39.236 38.000 -0.048 0.000 1.221 14 I HN 0.177 nan 8.210 nan 0.000 0.450 15 Y N 5.538 125.930 120.300 0.154 0.000 2.425 15 Y HA 0.436 4.986 4.550 -0.000 0.000 0.347 15 Y C 0.285 176.327 175.900 0.236 0.000 0.976 15 Y CA -0.900 57.322 58.100 0.204 0.000 1.190 15 Y CB 1.201 39.860 38.460 0.331 0.000 1.136 15 Y HN 0.198 nan 8.280 nan 0.000 0.517 16 V N 4.702 124.787 119.914 0.286 0.000 2.235 16 V HA 0.358 4.477 4.120 -0.000 0.000 0.266 16 V C -0.261 175.881 176.094 0.080 0.000 1.055 16 V CA -0.610 61.789 62.300 0.165 0.000 0.844 16 V CB -0.096 31.804 31.823 0.130 0.000 1.097 16 V HN 0.781 nan 8.190 nan 0.000 0.453 17 E N 0.801 121.037 120.200 0.060 0.000 2.445 17 E HA 0.496 4.845 4.350 -0.000 0.000 0.273 17 E C -0.238 176.276 176.600 -0.143 0.000 0.961 17 E CA -0.935 55.468 56.400 0.004 0.000 0.807 17 E CB 1.710 31.476 29.700 0.111 0.000 1.362 17 E HN 0.403 nan 8.360 nan 0.000 0.453 18 H N -0.235 118.806 119.070 -0.047 0.000 2.533 18 H HA 0.176 4.732 4.556 -0.000 0.000 0.271 18 H C 0.524 175.772 175.328 -0.135 0.000 1.000 18 H CA 0.592 56.586 56.048 -0.091 0.000 1.149 18 H CB 0.642 30.363 29.762 -0.069 0.000 1.375 18 H HN 0.642 nan 8.280 nan 0.000 0.582 19 G N -0.930 107.825 108.800 -0.075 0.000 4.399 19 G HA2 0.192 4.152 3.960 -0.000 0.000 0.268 19 G HA3 0.192 4.152 3.960 -0.000 0.000 0.268 19 G C 1.440 176.173 174.900 -0.278 0.000 1.038 19 G CA 0.366 45.369 45.100 -0.163 0.000 0.811 19 G HN 0.264 nan 8.290 nan 0.000 0.408 20 A N 0.831 123.525 122.820 -0.210 0.000 2.084 20 A HA -0.064 4.256 4.320 -0.000 0.000 0.221 20 A C 2.081 179.589 177.584 -0.126 0.000 1.161 20 A CA 1.043 52.961 52.037 -0.198 0.000 0.653 20 A CB -0.244 18.853 19.000 0.162 0.000 0.802 20 A HN 0.413 nan 8.150 nan 0.000 0.457 21 I N 0.384 120.911 120.570 -0.072 0.000 2.800 21 I HA -0.239 3.930 4.170 -0.000 0.000 0.266 21 I C 2.161 178.279 176.117 0.002 0.000 1.249 21 I CA 2.069 63.398 61.300 0.048 0.000 1.458 21 I CB -0.545 37.444 38.000 -0.019 0.000 1.093 21 I HN 0.658 nan 8.210 nan 0.000 0.466 22 K N -0.644 119.660 120.400 -0.160 0.000 2.137 22 K HA -0.156 4.164 4.320 -0.000 0.000 0.202 22 K C 1.722 178.307 176.600 -0.024 0.000 1.052 22 K CA 0.881 57.086 56.287 -0.136 0.000 0.961 22 K CB -0.741 31.610 32.500 -0.248 0.000 0.741 22 K HN 0.096 nan 8.250 nan 0.000 0.452 23 Y N 1.780 122.063 120.300 -0.028 0.000 2.736 23 Y HA -0.070 4.480 4.550 -0.000 0.000 0.298 23 Y C 1.826 177.757 175.900 0.052 0.000 1.156 23 Y CA -0.341 57.719 58.100 -0.067 0.000 1.384 23 Y CB -0.506 37.767 38.460 -0.313 0.000 0.976 23 Y HN 0.074 nan 8.280 nan 0.000 0.556 24 I N -0.738 119.947 120.570 0.193 0.000 2.162 24 I HA -0.143 4.027 4.170 -0.000 0.000 0.238 24 I C 2.616 178.861 176.117 0.212 0.000 1.076 24 I CA 1.466 62.854 61.300 0.147 0.000 1.353 24 I CB -1.602 36.474 38.000 0.128 0.000 1.063 24 I HN 0.203 nan 8.210 nan 0.000 0.408 25 G N 0.536 109.430 108.800 0.157 0.000 2.501 25 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.220 25 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.220 25 G C 1.492 176.493 174.900 0.168 0.000 1.114 25 G CA 1.364 46.540 45.100 0.126 0.000 0.757 25 G HN 0.522 nan 8.290 nan 0.000 0.559 26 T N -3.179 111.517 114.554 0.238 0.000 3.163 26 T HA 0.090 4.440 4.350 -0.000 0.000 0.260 26 T C 1.589 176.263 174.700 -0.043 0.000 1.156 26 T CA 0.743 62.900 62.100 0.096 0.000 1.072 26 T CB -0.278 68.620 68.868 0.051 0.000 0.937 26 T HN 0.360 nan 8.240 nan 0.000 0.528 27 Y N -0.076 120.210 120.300 -0.023 0.000 2.817 27 Y HA 0.462 5.012 4.550 -0.000 0.000 0.257 27 Y C 2.197 177.966 175.900 -0.219 0.000 1.055 27 Y CA -1.085 56.921 58.100 -0.156 0.000 1.319 27 Y CB -0.382 38.126 38.460 0.080 0.000 1.481 27 Y HN -0.019 nan 8.280 nan 0.000 0.471 28 L N 0.575 121.950 121.223 0.253 0.000 2.149 28 L HA -0.331 4.009 4.340 -0.000 0.000 0.223 28 L C 0.088 177.067 176.870 0.182 0.000 1.089 28 L CA 1.723 56.726 54.840 0.271 0.000 0.800 28 L CB -0.517 41.647 42.059 0.176 0.000 0.897 28 L HN 0.278 nan 8.230 nan 0.000 0.443 29 N N 0.170 118.925 118.700 0.092 0.000 2.955 29 N HA 0.110 4.850 4.740 -0.000 0.000 0.242 29 N C 0.282 175.748 175.510 -0.074 0.000 1.123 29 N CA 0.163 53.250 53.050 0.063 0.000 0.949 29 N CB 0.912 39.471 38.487 0.121 0.000 1.214 29 N HN 0.472 nan 8.380 nan 0.000 0.504 30 Q N 0.019 119.717 119.800 -0.171 0.000 1.512 30 Q HA 0.081 4.421 4.340 -0.000 0.000 0.144 30 Q C -1.333 174.498 176.000 -0.282 0.000 0.759 30 Q CA -0.189 55.447 55.803 -0.278 0.000 0.703 30 Q CB -0.350 28.131 28.738 -0.429 0.000 1.181 30 Q HN -0.004 nan 8.270 nan 0.000 0.344 31 F N 1.929 121.884 119.950 0.009 0.000 2.518 31 F HA 0.435 4.962 4.527 -0.000 0.000 0.323 31 F C 0.723 176.517 175.800 -0.010 0.000 1.129 31 F CA -1.362 56.619 58.000 -0.032 0.000 0.920 31 F CB 1.757 40.752 39.000 -0.009 0.000 1.160 31 F HN -0.118 nan 8.300 nan 0.000 0.440 32 D N 1.440 121.948 120.400 0.180 0.000 2.203 32 D HA -0.166 4.474 4.640 -0.000 0.000 0.199 32 D C 0.179 176.537 176.300 0.097 0.000 0.997 32 D CA 1.699 55.765 54.000 0.111 0.000 0.863 32 D CB 0.341 41.195 40.800 0.089 0.000 0.928 32 D HN 0.617 nan 8.370 nan 0.000 0.458 33 Q N -1.712 118.151 119.800 0.105 0.000 2.575 33 Q HA 0.481 4.820 4.340 -0.000 0.000 0.290 33 Q C -1.439 174.565 176.000 0.007 0.000 0.963 33 Q CA -0.556 55.254 55.803 0.011 0.000 0.783 33 Q CB 2.557 31.310 28.738 0.025 0.000 1.467 33 Q HN -0.221 nan 8.270 nan 0.000 0.402 34 S N 0.624 116.226 115.700 -0.163 0.000 2.575 34 S HA 0.644 5.113 4.470 -0.000 0.000 0.278 34 S C -1.704 172.699 174.600 -0.329 0.000 1.139 34 S CA -0.547 57.593 58.200 -0.101 0.000 0.954 34 S CB 0.643 63.847 63.200 0.007 0.000 1.054 34 S HN 0.389 nan 8.310 nan 0.000 0.483 35 F N 2.467 122.361 119.950 -0.094 0.000 2.427 35 F HA 0.457 4.984 4.527 -0.001 0.000 0.348 35 F C -0.070 175.704 175.800 -0.044 0.000 1.125 35 F CA -0.655 57.306 58.000 -0.063 0.000 0.989 35 F CB 1.093 40.043 39.000 -0.083 0.000 1.165 35 F HN 0.380 nan 8.300 nan 0.000 0.442 36 L N 5.701 126.960 121.223 0.060 0.000 2.282 36 L HA 0.429 4.769 4.340 -0.000 0.000 0.287 36 L C -1.217 175.671 176.870 0.030 0.000 1.075 36 L CA -0.679 54.167 54.840 0.009 0.000 0.839 36 L CB 0.065 42.092 42.059 -0.053 0.000 1.219 36 L HN 0.438 nan 8.230 nan 0.000 0.434 37 L N 6.857 128.101 121.223 0.036 0.000 2.278 37 L HA 0.437 4.777 4.340 -0.000 0.000 0.287 37 L C -0.186 176.695 176.870 0.018 0.000 1.072 37 L CA 0.504 55.375 54.840 0.051 0.000 0.819 37 L CB 1.117 43.224 42.059 0.079 0.000 1.176 37 L HN 0.545 nan 8.230 nan 0.000 0.435 38 I N 2.787 123.366 120.570 0.016 0.000 2.534 38 I HA 0.262 4.432 4.170 -0.000 0.000 0.288 38 I C -0.256 175.874 176.117 0.022 0.000 1.077 38 I CA -0.688 60.615 61.300 0.004 0.000 1.051 38 I CB 1.470 39.471 38.000 0.000 0.000 1.234 38 I HN 0.562 nan 8.210 nan 0.000 0.425 39 D N 5.935 126.348 120.400 0.021 0.000 2.563 39 D HA -0.166 4.473 4.640 -0.000 0.000 0.229 39 D C 0.892 177.192 176.300 -0.000 0.000 1.159 39 D CA 0.801 54.798 54.000 -0.005 0.000 0.869 39 D CB 1.100 41.917 40.800 0.029 0.000 1.203 39 D HN 0.790 nan 8.370 nan 0.000 0.478 40 E N 2.624 122.759 120.200 -0.107 0.000 2.204 40 E HA -0.211 4.139 4.350 -0.000 0.000 0.194 40 E C 1.125 177.753 176.600 0.046 0.000 0.989 40 E CA 0.972 57.314 56.400 -0.096 0.000 0.824 40 E CB -0.004 29.557 29.700 -0.232 0.000 0.756 40 E HN 0.698 nan 8.360 nan 0.000 0.477 41 Y N -0.576 119.782 120.300 0.097 0.000 2.347 41 Y HA -0.053 4.497 4.550 -0.000 0.000 0.294 41 Y C 2.403 178.452 175.900 0.248 0.000 1.117 41 Y CA 0.140 58.325 58.100 0.141 0.000 1.184 41 Y CB 0.408 38.961 38.460 0.155 0.000 1.047 41 Y HN -0.069 nan 8.280 nan 0.000 0.546 42 V N 0.734 120.890 119.914 0.405 0.000 2.490 42 V HA -0.320 3.800 4.120 -0.000 0.000 0.250 42 V C 1.912 178.287 176.094 0.468 0.000 1.061 42 V CA 2.098 64.672 62.300 0.456 0.000 1.064 42 V CB -0.757 31.254 31.823 0.313 0.000 0.670 42 V HN 0.454 nan 8.190 nan 0.000 0.461 43 N N 0.082 118.971 118.700 0.316 0.000 2.166 43 N HA -0.191 4.549 4.740 -0.000 0.000 0.186 43 N C 1.877 177.531 175.510 0.239 0.000 1.019 43 N CA 1.393 54.606 53.050 0.271 0.000 0.856 43 N CB -0.082 38.507 38.487 0.169 0.000 0.993 43 N HN 0.452 nan 8.380 nan 0.000 0.426 44 Q N -0.282 119.641 119.800 0.204 0.000 1.965 44 Q HA -0.127 4.213 4.340 -0.000 0.000 0.200 44 Q C 1.810 177.838 176.000 0.047 0.000 0.981 44 Q CA 1.305 57.166 55.803 0.097 0.000 0.834 44 Q CB -1.201 27.562 28.738 0.042 0.000 0.900 44 Q HN 0.463 nan 8.270 nan 0.000 0.426 45 Y N 0.630 120.881 120.300 -0.082 0.000 1.967 45 Y HA -0.252 4.298 4.550 -0.000 0.000 0.260 45 Y C 1.188 176.771 175.900 -0.529 0.000 1.181 45 Y CA 1.626 59.484 58.100 -0.403 0.000 1.097 45 Y CB -0.544 37.527 38.460 -0.649 0.000 0.934 45 Y HN 0.064 nan 8.280 nan 0.000 0.492 46 F N -0.662 119.501 119.950 0.355 0.000 2.560 46 F HA 0.431 4.958 4.527 -0.000 0.000 0.338 46 F C 1.157 177.073 175.800 0.193 0.000 1.201 46 F CA -0.171 57.970 58.000 0.235 0.000 1.291 46 F CB -0.523 38.634 39.000 0.262 0.000 1.627 46 F HN 0.033 nan 8.300 nan 0.000 0.588 47 A N 1.272 124.212 122.820 0.200 0.000 1.849 47 A HA -0.270 4.050 4.320 -0.000 0.000 0.217 47 A C 1.966 179.649 177.584 0.165 0.000 1.202 47 A CA 2.310 54.447 52.037 0.166 0.000 0.629 47 A CB -0.511 18.543 19.000 0.090 0.000 0.834 47 A HN 0.542 nan 8.150 nan 0.000 0.447 48 N N -1.022 117.746 118.700 0.113 0.000 2.392 48 N HA 0.026 4.766 4.740 -0.000 0.000 0.177 48 N C 1.472 177.005 175.510 0.038 0.000 1.066 48 N CA 0.345 53.445 53.050 0.084 0.000 0.895 48 N CB -0.011 38.508 38.487 0.053 0.000 0.988 48 N HN 0.245 nan 8.380 nan 0.000 0.457 49 K N 0.214 120.612 120.400 -0.004 0.000 2.127 49 K HA -0.142 4.178 4.320 -0.000 0.000 0.212 49 K C -0.268 176.047 176.600 -0.474 0.000 1.050 49 K CA 1.254 57.381 56.287 -0.266 0.000 0.929 49 K CB -0.273 32.018 32.500 -0.348 0.000 0.715 49 K HN 0.251 nan 8.250 nan 0.000 0.457 50 F N 0.192 120.229 119.950 0.145 0.000 2.848 50 F HA 0.168 4.695 4.527 -0.000 0.000 0.321 50 F C 0.740 176.579 175.800 0.064 0.000 1.281 50 F CA -0.559 57.497 58.000 0.093 0.000 1.209 50 F CB 0.644 39.704 39.000 0.100 0.000 1.152 50 F HN -0.157 nan 8.300 nan 0.000 0.521 51 D N -0.227 120.261 120.400 0.147 0.000 2.431 51 D HA -0.044 4.596 4.640 -0.000 0.000 0.227 51 D C 1.572 177.914 176.300 0.070 0.000 1.030 51 D CA 0.723 54.791 54.000 0.112 0.000 0.897 51 D CB 0.102 40.956 40.800 0.089 0.000 1.058 51 D HN 0.100 nan 8.370 nan 0.000 0.500 52 D N 0.519 120.945 120.400 0.043 0.000 2.271 52 D HA -0.136 4.504 4.640 -0.000 0.000 0.207 52 D C 1.687 177.938 176.300 -0.081 0.000 0.983 52 D CA 0.856 54.860 54.000 0.006 0.000 0.878 52 D CB 0.069 40.869 40.800 -0.001 0.000 0.920 52 D HN 0.391 nan 8.370 nan 0.000 0.479 53 I N -3.107 117.417 120.570 -0.078 0.000 4.526 53 I HA 0.208 4.378 4.170 -0.000 0.000 0.330 53 I C 1.488 177.492 176.117 -0.187 0.000 1.323 53 I CA -0.241 60.907 61.300 -0.255 0.000 1.218 53 I CB -0.822 37.114 38.000 -0.107 0.000 1.233 53 I HN -0.081 nan 8.210 nan 0.000 0.430 54 L N 1.270 122.495 121.223 0.003 0.000 2.249 54 L HA 0.121 4.461 4.340 -0.000 0.000 0.207 54 L C 1.662 178.606 176.870 0.124 0.000 1.090 54 L CA 0.978 55.860 54.840 0.070 0.000 0.802 54 L CB 0.089 42.224 42.059 0.126 0.000 0.947 54 L HN 0.341 nan 8.230 nan 0.000 0.453 55 S N -0.879 114.907 115.700 0.144 0.000 3.009 55 S HA 0.016 4.486 4.470 -0.000 0.000 0.243 55 S C 0.147 174.953 174.600 0.344 0.000 1.012 55 S CA -0.316 58.005 58.200 0.200 0.000 1.113 55 S CB -1.022 62.278 63.200 0.168 0.000 0.827 55 S HN 0.318 nan 8.310 nan 0.000 0.495 56 Y N 0.834 121.173 120.300 0.066 0.000 2.480 56 Y HA 0.260 4.810 4.550 -0.000 0.000 0.323 56 Y C 1.476 177.409 175.900 0.054 0.000 1.267 56 Y CA -1.263 56.868 58.100 0.052 0.000 1.336 56 Y CB 0.948 39.434 38.460 0.042 0.000 1.361 56 Y HN 0.173 nan 8.280 nan 0.000 0.518 57 E N -0.287 119.981 120.200 0.114 0.000 2.427 57 E HA -0.081 4.269 4.350 -0.000 0.000 0.196 57 E C 0.524 177.168 176.600 0.073 0.000 1.028 57 E CA 0.593 57.038 56.400 0.074 0.000 0.864 57 E CB 0.093 29.791 29.700 -0.004 0.000 0.813 57 E HN 0.606 nan 8.360 nan 0.000 0.514 58 N N -0.107 118.625 118.700 0.054 0.000 2.571 58 N HA 0.037 4.776 4.740 -0.000 0.000 0.195 58 N C -0.030 175.254 175.510 -0.378 0.000 1.040 58 N CA -0.067 52.920 53.050 -0.105 0.000 0.890 58 N CB 0.816 39.304 38.487 0.001 0.000 1.233 58 N HN -0.123 nan 8.380 nan 0.000 0.435 59 V N 2.486 122.317 119.914 -0.138 0.000 2.585 59 V HA 0.004 4.124 4.120 -0.000 0.000 0.296 59 V C -0.390 175.636 176.094 -0.112 0.000 1.035 59 V CA 0.575 62.766 62.300 -0.183 0.000 1.084 59 V CB 0.009 31.825 31.823 -0.011 0.000 0.953 59 V HN 0.280 nan 8.190 nan 0.000 0.483 60 H N 2.970 121.885 119.070 -0.259 0.000 2.600 60 H HA 0.446 5.002 4.556 -0.000 0.000 0.357 60 H C -0.326 174.952 175.328 -0.083 0.000 1.106 60 H CA -0.972 54.965 56.048 -0.186 0.000 1.193 60 H CB 2.058 31.604 29.762 -0.359 0.000 1.594 60 H HN 0.565 nan 8.280 nan 0.000 0.526 61 K N 2.910 123.385 120.400 0.126 0.000 2.227 61 K HA 0.362 4.682 4.320 -0.000 0.000 0.280 61 K C -1.180 175.466 176.600 0.077 0.000 1.041 61 K CA -0.509 55.829 56.287 0.085 0.000 0.905 61 K CB 0.778 33.326 32.500 0.081 0.000 1.068 61 K HN 0.293 nan 8.250 nan 0.000 0.470 62 V N 6.576 126.523 119.914 0.055 0.000 2.409 62 V HA 0.356 4.476 4.120 -0.000 0.000 0.291 62 V C -0.400 175.681 176.094 -0.021 0.000 1.020 62 V CA -0.839 61.452 62.300 -0.014 0.000 0.848 62 V CB 1.298 33.136 31.823 0.026 0.000 0.990 62 V HN 0.669 nan 8.190 nan 0.000 0.430 63 I N 6.663 127.196 120.570 -0.061 0.000 2.307 63 I HA 0.458 4.628 4.170 -0.000 0.000 0.289 63 I C 0.286 176.363 176.117 -0.067 0.000 1.021 63 I CA -0.051 61.225 61.300 -0.040 0.000 1.224 63 I CB 0.974 38.959 38.000 -0.027 0.000 1.376 63 I HN 0.597 nan 8.210 nan 0.000 0.470 64 I N 4.239 124.779 120.570 -0.050 0.000 3.210 64 I HA 0.714 4.884 4.170 -0.000 0.000 0.316 64 I C -2.511 173.514 176.117 -0.154 0.000 1.067 64 I CA -2.662 58.582 61.300 -0.094 0.000 1.047 64 I CB 0.794 38.760 38.000 -0.057 0.000 1.352 64 I HN 0.192 nan 8.210 nan 0.000 0.565 65 P HA 0.106 nan 4.420 nan 0.000 0.269 65 P C -0.857 176.294 177.300 -0.249 0.000 1.215 65 P CA -0.158 62.805 63.100 -0.229 0.000 0.780 65 P CB 0.569 32.131 31.700 -0.229 0.000 0.898 66 A N 3.067 125.691 122.820 -0.328 0.000 2.515 66 A HA 0.460 4.780 4.320 -0.000 0.000 0.263 66 A C 1.288 178.757 177.584 -0.192 0.000 1.096 66 A CA 0.731 52.545 52.037 -0.372 0.000 0.769 66 A CB -1.543 16.951 19.000 -0.842 0.000 1.040 66 A HN 0.802 nan 8.150 nan 0.000 0.505 67 G N 2.366 111.100 108.800 -0.110 0.000 2.594 67 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.297 67 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.297 67 G C 0.762 175.609 174.900 -0.088 0.000 1.273 67 G CA 0.812 45.877 45.100 -0.060 0.000 0.974 67 G HN 1.010 nan 8.290 nan 0.000 0.552 68 E N 0.636 120.801 120.200 -0.059 0.000 2.448 68 E HA -0.070 4.280 4.350 -0.000 0.000 0.203 68 E C 2.196 178.745 176.600 -0.086 0.000 1.046 68 E CA 1.683 58.045 56.400 -0.064 0.000 0.871 68 E CB -0.158 29.524 29.700 -0.030 0.000 0.790 68 E HN 0.557 nan 8.360 nan 0.000 0.545 69 K N -1.641 118.692 120.400 -0.112 0.000 2.444 69 K HA 0.050 4.370 4.320 -0.000 0.000 0.193 69 K C 1.515 178.001 176.600 -0.190 0.000 1.024 69 K CA 0.795 57.008 56.287 -0.123 0.000 1.077 69 K CB 0.433 32.864 32.500 -0.115 0.000 0.833 69 K HN -0.048 nan 8.250 nan 0.000 0.517 70 T N 0.240 114.631 114.554 -0.271 0.000 2.990 70 T HA 0.090 4.439 4.350 -0.000 0.000 0.249 70 T C 0.629 174.977 174.700 -0.586 0.000 1.039 70 T CA 0.139 61.935 62.100 -0.507 0.000 1.036 70 T CB 0.215 68.694 68.868 -0.648 0.000 0.994 70 T HN -0.038 nan 8.240 nan 0.000 0.489 71 K N 3.405 123.627 120.400 -0.297 0.000 3.233 71 K HA 0.131 4.451 4.320 -0.000 0.000 0.283 71 K C 0.092 176.616 176.600 -0.126 0.000 1.209 71 K CA -0.110 56.088 56.287 -0.148 0.000 1.197 71 K CB -0.160 32.282 32.500 -0.097 0.000 1.431 71 K HN 0.465 nan 8.250 nan 0.000 0.326 72 T N -4.150 110.338 114.554 -0.110 0.000 2.916 72 T HA 0.307 4.657 4.350 -0.000 0.000 0.292 72 T C 0.800 175.519 174.700 0.032 0.000 1.064 72 T CA -0.870 61.200 62.100 -0.049 0.000 1.011 72 T CB 0.723 69.597 68.868 0.010 0.000 1.152 72 T HN -0.017 nan 8.240 nan 0.000 0.510 73 F N 0.945 120.953 119.950 0.095 0.000 2.102 73 F HA 0.054 4.581 4.527 -0.000 0.000 0.298 73 F C 2.471 178.389 175.800 0.196 0.000 1.105 73 F CA 1.615 59.706 58.000 0.153 0.000 1.239 73 F CB -0.660 38.394 39.000 0.090 0.000 0.991 73 F HN 0.656 nan 8.300 nan 0.000 0.474 74 E N -0.288 120.101 120.200 0.315 0.000 2.070 74 E HA -0.292 4.058 4.350 -0.000 0.000 0.197 74 E C 2.056 178.759 176.600 0.171 0.000 1.004 74 E CA 1.640 58.157 56.400 0.196 0.000 0.805 74 E CB -0.444 29.326 29.700 0.116 0.000 0.744 74 E HN 0.261 nan 8.360 nan 0.000 0.451 75 Q N -0.579 119.301 119.800 0.134 0.000 2.167 75 Q HA -0.155 4.185 4.340 -0.000 0.000 0.202 75 Q C 1.842 178.036 176.000 0.323 0.000 0.970 75 Q CA 1.332 57.193 55.803 0.097 0.000 0.855 75 Q CB -0.444 28.197 28.738 -0.162 0.000 0.911 75 Q HN 0.557 nan 8.270 nan 0.000 0.438 76 Y N 0.409 120.895 120.300 0.310 0.000 2.128 76 Y HA -0.339 4.210 4.550 -0.000 0.000 0.284 76 Y C 2.406 178.385 175.900 0.131 0.000 1.154 76 Y CA 2.353 60.645 58.100 0.320 0.000 1.149 76 Y CB -0.102 38.505 38.460 0.245 0.000 0.976 76 Y HN 0.312 nan 8.280 nan 0.000 0.505 77 Q N 0.378 120.234 119.800 0.093 0.000 1.993 77 Q HA -0.290 4.050 4.340 -0.000 0.000 0.202 77 Q C 2.361 178.331 176.000 -0.049 0.000 0.984 77 Q CA 1.994 57.767 55.803 -0.051 0.000 0.837 77 Q CB -0.431 28.347 28.738 0.067 0.000 0.902 77 Q HN 0.683 nan 8.270 nan 0.000 0.423 78 E N -0.638 119.585 120.200 0.038 0.000 2.055 78 E HA -0.258 4.092 4.350 -0.000 0.000 0.209 78 E C 1.876 178.514 176.600 0.063 0.000 1.036 78 E CA 2.269 58.702 56.400 0.056 0.000 0.849 78 E CB -0.223 29.515 29.700 0.065 0.000 0.767 78 E HN 0.415 nan 8.360 nan 0.000 0.461 79 T N 1.474 116.067 114.554 0.066 0.000 2.699 79 T HA -0.171 4.178 4.350 -0.000 0.000 0.268 79 T C 1.903 176.565 174.700 -0.063 0.000 1.036 79 T CA 1.348 63.476 62.100 0.046 0.000 1.147 79 T CB -0.225 68.740 68.868 0.161 0.000 0.862 79 T HN 0.162 nan 8.240 nan 0.000 0.446 80 L N 0.597 121.694 121.223 -0.211 0.000 2.005 80 L HA -0.087 4.253 4.340 -0.000 0.000 0.207 80 L C 2.965 179.721 176.870 -0.189 0.000 1.072 80 L CA 1.320 55.970 54.840 -0.317 0.000 0.744 80 L CB -0.429 41.319 42.059 -0.519 0.000 0.895 80 L HN 0.211 nan 8.230 nan 0.000 0.433 81 E N -0.523 119.603 120.200 -0.123 0.000 2.058 81 E HA -0.297 4.053 4.350 -0.000 0.000 0.194 81 E C 1.956 178.546 176.600 -0.017 0.000 0.997 81 E CA 1.657 58.017 56.400 -0.067 0.000 0.801 81 E CB -0.489 29.190 29.700 -0.035 0.000 0.746 81 E HN 0.471 nan 8.360 nan 0.000 0.450 82 Y N 1.412 121.677 120.300 -0.058 0.000 2.097 82 Y HA -0.269 4.280 4.550 -0.001 0.000 0.282 82 Y C 2.193 178.105 175.900 0.020 0.000 1.152 82 Y CA 1.377 59.485 58.100 0.013 0.000 1.136 82 Y CB -0.344 38.130 38.460 0.024 0.000 0.975 82 Y HN -0.076 nan 8.280 nan 0.000 0.498 83 I N 0.523 121.131 120.570 0.064 0.000 2.069 83 I HA -0.356 3.814 4.170 -0.000 0.000 0.237 83 I C 2.551 178.497 176.117 -0.284 0.000 1.053 83 I CA 1.460 62.543 61.300 -0.362 0.000 1.311 83 I CB -1.513 36.119 38.000 -0.612 0.000 1.030 83 I HN 0.320 nan 8.210 nan 0.000 0.398 84 L N 0.473 121.573 121.223 -0.205 0.000 2.089 84 L HA -0.275 4.065 4.340 -0.000 0.000 0.213 84 L C 2.356 179.208 176.870 -0.031 0.000 1.079 84 L CA 1.801 56.573 54.840 -0.114 0.000 0.758 84 L CB -0.885 41.111 42.059 -0.106 0.000 0.891 84 L HN 0.431 nan 8.230 nan 0.000 0.433 85 S N -1.680 113.997 115.700 -0.038 0.000 2.626 85 S HA -0.177 4.293 4.470 -0.000 0.000 0.245 85 S C 0.912 175.355 174.600 -0.262 0.000 0.973 85 S CA 0.797 58.904 58.200 -0.156 0.000 0.959 85 S CB -0.666 62.394 63.200 -0.234 0.000 0.762 85 S HN 0.533 nan 8.310 nan 0.000 0.539 86 H N 0.261 119.221 119.070 -0.184 0.000 2.486 86 H HA 0.319 4.875 4.556 -0.000 0.000 0.284 86 H C -0.314 175.035 175.328 0.034 0.000 1.103 86 H CA -0.544 55.480 56.048 -0.041 0.000 1.089 86 H CB -0.289 29.670 29.762 0.329 0.000 1.603 86 H HN 0.373 nan 8.280 nan 0.000 0.557 87 H N -0.466 118.678 119.070 0.124 0.000 2.506 87 H HA -0.142 4.413 4.556 -0.000 0.000 0.323 87 H C 0.878 176.268 175.328 0.103 0.000 1.076 87 H CA 0.688 56.782 56.048 0.077 0.000 1.108 87 H CB -2.133 27.663 29.762 0.056 0.000 1.569 87 H HN 0.381 nan 8.280 nan 0.000 0.399 88 V N -0.573 119.453 119.914 0.187 0.000 3.857 88 V HA 0.625 4.745 4.120 -0.000 0.000 0.275 88 V C 1.171 177.324 176.094 0.099 0.000 0.992 88 V CA 0.333 62.721 62.300 0.146 0.000 0.998 88 V CB 1.480 33.322 31.823 0.033 0.000 1.234 88 V HN 0.747 nan 8.190 nan 0.000 0.438 89 T N -3.031 111.566 114.554 0.071 0.000 2.812 89 T HA 0.507 4.857 4.350 -0.000 0.000 0.294 89 T C 0.406 175.128 174.700 0.037 0.000 1.159 89 T CA -0.733 61.398 62.100 0.052 0.000 1.008 89 T CB 1.758 70.663 68.868 0.061 0.000 1.289 89 T HN 0.602 nan 8.240 nan 0.000 0.514 90 R N -0.052 120.475 120.500 0.045 0.000 2.285 90 R HA 0.088 4.428 4.340 -0.000 0.000 0.213 90 R C 0.467 176.824 176.300 0.094 0.000 1.068 90 R CA 0.726 56.866 56.100 0.067 0.000 1.004 90 R CB -0.295 30.053 30.300 0.080 0.000 0.873 90 R HN 0.511 nan 8.270 nan 0.000 0.467 91 N N 0.715 119.439 118.700 0.041 0.000 2.839 91 N HA 0.077 4.817 4.740 -0.000 0.000 0.314 91 N C -1.364 174.084 175.510 -0.103 0.000 1.449 91 N CA 0.023 53.037 53.050 -0.060 0.000 1.050 91 N CB 0.744 39.237 38.487 0.010 0.000 1.364 91 N HN -0.097 nan 8.380 nan 0.000 0.512 92 T N -0.307 114.176 114.554 -0.118 0.000 2.950 92 T HA 0.823 5.172 4.350 -0.000 0.000 0.288 92 T C -0.718 173.797 174.700 -0.310 0.000 1.035 92 T CA -0.633 61.403 62.100 -0.107 0.000 1.028 92 T CB 1.706 70.598 68.868 0.040 0.000 1.109 92 T HN 0.181 nan 8.240 nan 0.000 0.514 93 A N 1.627 124.243 122.820 -0.341 0.000 2.435 93 A HA 0.782 5.102 4.320 -0.000 0.000 0.304 93 A C -1.245 176.296 177.584 -0.071 0.000 1.064 93 A CA -0.673 51.130 52.037 -0.391 0.000 0.727 93 A CB 0.952 19.380 19.000 -0.953 0.000 1.284 93 A HN 0.642 nan 8.150 nan 0.000 0.415 94 I N 2.421 123.003 120.570 0.021 0.000 2.339 94 I HA 0.333 4.503 4.170 -0.000 0.000 0.290 94 I C -0.983 175.233 176.117 0.166 0.000 0.994 94 I CA -0.526 60.829 61.300 0.092 0.000 1.191 94 I CB 1.117 39.123 38.000 0.010 0.000 1.343 94 I HN 0.385 nan 8.210 nan 0.000 0.458 95 I N 5.774 126.397 120.570 0.088 0.000 2.330 95 I HA 0.371 4.541 4.170 -0.000 0.000 0.286 95 I C 0.656 176.781 176.117 0.014 0.000 1.025 95 I CA -0.345 60.968 61.300 0.021 0.000 1.197 95 I CB 1.285 39.258 38.000 -0.046 0.000 1.358 95 I HN 0.584 nan 8.210 nan 0.000 0.467 96 A N 6.355 129.198 122.820 0.037 0.000 2.320 96 A HA 0.696 5.016 4.320 -0.000 0.000 0.287 96 A C -0.295 177.229 177.584 -0.101 0.000 1.181 96 A CA -0.325 51.733 52.037 0.035 0.000 0.831 96 A CB 0.399 19.489 19.000 0.151 0.000 1.102 96 A HN 0.449 nan 8.150 nan 0.000 0.513 97 V N 3.184 123.018 119.914 -0.134 0.000 2.380 97 V HA 0.716 4.836 4.120 -0.000 0.000 0.272 97 V C 0.570 176.566 176.094 -0.162 0.000 1.011 97 V CA 0.584 62.741 62.300 -0.238 0.000 0.826 97 V CB 0.226 31.780 31.823 -0.448 0.000 1.040 97 V HN 1.588 nan 8.190 nan 0.000 0.441 98 G N 2.568 111.276 108.800 -0.153 0.000 2.360 98 G HA2 0.511 4.471 3.960 -0.000 0.000 0.276 98 G HA3 0.511 4.471 3.960 -0.000 0.000 0.276 98 G C 0.066 174.925 174.900 -0.067 0.000 1.256 98 G CA 0.108 45.154 45.100 -0.090 0.000 0.890 98 G HN 0.836 nan 8.290 nan 0.000 0.486 99 G N -0.905 107.886 108.800 -0.015 0.000 2.479 99 G HA2 0.465 4.425 3.960 -0.000 0.000 0.275 99 G HA3 0.465 4.425 3.960 -0.000 0.000 0.275 99 G C 1.455 176.352 174.900 -0.006 0.000 1.421 99 G CA 0.777 45.877 45.100 0.001 0.000 1.059 99 G HN 1.665 nan 8.290 nan 0.000 0.535 100 G N -0.753 108.049 108.800 0.004 0.000 2.430 100 G HA2 0.171 4.131 3.960 -0.000 0.000 0.216 100 G HA3 0.171 4.131 3.960 -0.000 0.000 0.216 100 G C 1.900 176.797 174.900 -0.005 0.000 1.146 100 G CA 1.595 46.690 45.100 -0.008 0.000 0.793 100 G HN 0.849 nan 8.290 nan 0.000 0.537 101 A N 1.236 124.053 122.820 -0.006 0.000 1.855 101 A HA -0.054 4.266 4.320 -0.000 0.000 0.215 101 A C 2.669 180.278 177.584 0.042 0.000 1.191 101 A CA 2.781 54.814 52.037 -0.007 0.000 0.613 101 A CB -1.276 17.707 19.000 -0.028 0.000 0.829 101 A HN 0.511 nan 8.150 nan 0.000 0.442 102 T N -2.564 112.016 114.554 0.043 0.000 2.929 102 T HA 0.036 4.386 4.350 -0.000 0.000 0.271 102 T C 1.762 176.553 174.700 0.151 0.000 1.085 102 T CA 1.560 63.721 62.100 0.101 0.000 1.125 102 T CB -0.672 68.229 68.868 0.056 0.000 0.874 102 T HN 0.427 nan 8.240 nan 0.000 0.494 103 G N 1.404 110.266 108.800 0.103 0.000 2.394 103 G HA2 -0.111 3.849 3.960 -0.000 0.000 0.214 103 G HA3 -0.111 3.849 3.960 -0.000 0.000 0.214 103 G C 1.307 176.311 174.900 0.173 0.000 1.176 103 G CA 0.707 45.893 45.100 0.144 0.000 0.786 103 G HN 0.425 nan 8.290 nan 0.000 0.533 104 D N 0.079 120.535 120.400 0.093 0.000 2.097 104 D HA -0.106 4.534 4.640 -0.000 0.000 0.195 104 D C 1.945 178.285 176.300 0.066 0.000 0.989 104 D CA 0.556 54.580 54.000 0.039 0.000 0.827 104 D CB -0.391 40.392 40.800 -0.029 0.000 0.966 104 D HN 0.239 nan 8.370 nan 0.000 0.456 105 F N 1.798 121.730 119.950 -0.031 0.000 2.031 105 F HA -0.161 4.366 4.527 -0.000 0.000 0.295 105 F C 2.268 178.054 175.800 -0.024 0.000 1.133 105 F CA 1.820 59.820 58.000 -0.001 0.000 1.188 105 F CB -0.763 38.232 39.000 -0.007 0.000 0.974 105 F HN -0.040 nan 8.300 nan 0.000 0.473 106 A N 0.275 123.004 122.820 -0.151 0.000 1.997 106 A HA -0.157 4.163 4.320 -0.000 0.000 0.221 106 A C 2.446 179.652 177.584 -0.630 0.000 1.172 106 A CA 1.942 53.786 52.037 -0.322 0.000 0.645 106 A CB -1.900 17.117 19.000 0.029 0.000 0.813 106 A HN 0.605 nan 8.150 nan 0.000 0.454 107 G N -1.833 106.604 108.800 -0.606 0.000 2.403 107 G HA2 -0.139 3.820 3.960 -0.000 0.000 0.216 107 G HA3 -0.139 3.820 3.960 -0.000 0.000 0.216 107 G C 1.363 175.871 174.900 -0.652 0.000 1.154 107 G CA 1.034 45.461 45.100 -1.122 0.000 0.784 107 G HN 0.480 nan 8.290 nan 0.000 0.538 108 F N 1.239 120.875 119.950 -0.524 0.000 2.325 108 F HA 0.099 4.626 4.527 -0.000 0.000 0.299 108 F C 2.445 178.032 175.800 -0.355 0.000 1.090 108 F CA 0.237 57.994 58.000 -0.404 0.000 1.392 108 F CB -0.095 38.710 39.000 -0.325 0.000 1.053 108 F HN -0.001 nan 8.300 nan 0.000 0.521 109 V N 0.295 119.898 119.914 -0.520 0.000 2.255 109 V HA -0.208 3.911 4.120 -0.000 0.000 0.243 109 V C 2.778 178.518 176.094 -0.591 0.000 1.038 109 V CA 1.749 63.695 62.300 -0.591 0.000 1.008 109 V CB -1.523 29.876 31.823 -0.706 0.000 0.645 109 V HN 0.354 nan 8.190 nan 0.000 0.449 110 A N 0.146 122.568 122.820 -0.663 0.000 1.940 110 A HA -0.157 4.162 4.320 -0.000 0.000 0.219 110 A C 2.336 179.430 177.584 -0.817 0.000 1.176 110 A CA 2.174 53.825 52.037 -0.644 0.000 0.631 110 A CB -0.805 17.753 19.000 -0.736 0.000 0.814 110 A HN 0.607 nan 8.150 nan 0.000 0.446 111 A N -0.824 121.362 122.820 -1.058 0.000 2.121 111 A HA 0.024 4.344 4.320 -0.000 0.000 0.218 111 A C 2.122 179.298 177.584 -0.679 0.000 1.154 111 A CA 2.171 53.365 52.037 -1.405 0.000 0.679 111 A CB -0.734 17.737 19.000 -0.881 0.000 0.795 111 A HN 0.828 nan 8.150 nan 0.000 0.458 112 T N -3.937 110.303 114.554 -0.523 0.000 3.003 112 T HA 0.353 4.703 4.350 -0.000 0.000 0.261 112 T C 0.317 174.844 174.700 -0.288 0.000 1.003 112 T CA -0.260 61.633 62.100 -0.346 0.000 0.917 112 T CB -0.368 68.276 68.868 -0.372 0.000 1.084 112 T HN 0.118 nan 8.240 nan 0.000 0.522 113 L N 3.926 124.950 121.223 -0.331 0.000 2.477 113 L HA 0.338 4.678 4.340 -0.000 0.000 0.272 113 L C 0.534 177.303 176.870 -0.167 0.000 1.157 113 L CA -0.046 54.634 54.840 -0.267 0.000 0.889 113 L CB -0.519 41.364 42.059 -0.293 0.000 1.158 113 L HN 0.385 nan 8.230 nan 0.000 0.473 114 L N 5.676 126.822 121.223 -0.127 0.000 3.781 114 L HA -0.376 3.963 4.340 -0.000 0.000 0.426 114 L C 0.972 177.816 176.870 -0.044 0.000 1.197 114 L CA 0.536 55.335 54.840 -0.068 0.000 0.907 114 L CB -1.710 40.323 42.059 -0.043 0.000 1.812 114 L HN 0.913 nan 8.230 nan 0.000 0.956 115 R N -2.691 117.771 120.500 -0.063 0.000 3.936 115 R HA -0.119 4.221 4.340 -0.000 0.000 0.366 115 R C 0.669 176.973 176.300 0.006 0.000 1.158 115 R CA 0.894 56.976 56.100 -0.030 0.000 0.969 115 R CB -1.994 28.306 30.300 0.001 0.000 1.504 115 R HN 1.171 nan 8.270 nan 0.000 0.538 116 G N -0.779 107.997 108.800 -0.040 0.000 3.162 116 G HA2 0.233 4.193 3.960 -0.000 0.000 0.599 116 G HA3 0.233 4.193 3.960 -0.000 0.000 0.599 116 G C -0.403 174.560 174.900 0.105 0.000 1.335 116 G CA -0.395 44.728 45.100 0.040 0.000 1.091 116 G HN 0.685 nan 8.290 nan 0.000 0.570 117 V N 0.036 119.986 119.914 0.060 0.000 3.344 117 V HA 0.932 5.052 4.120 -0.000 0.000 0.301 117 V C 0.228 176.474 176.094 0.254 0.000 1.286 117 V CA -1.306 61.091 62.300 0.161 0.000 1.028 117 V CB 1.162 32.998 31.823 0.023 0.000 1.223 117 V HN 0.860 nan 8.190 nan 0.000 0.478 118 H N 0.370 119.436 119.070 -0.008 0.000 2.548 118 H HA 0.583 5.139 4.556 -0.000 0.000 0.331 118 H C -1.057 174.326 175.328 0.092 0.000 1.093 118 H CA -0.522 55.529 56.048 0.004 0.000 1.367 118 H CB 0.913 30.489 29.762 -0.309 0.000 1.455 118 H HN 0.694 nan 8.280 nan 0.000 0.519 119 F N 3.542 123.524 119.950 0.053 0.000 2.460 119 F HA 0.382 4.908 4.527 -0.000 0.000 0.341 119 F C -1.247 174.541 175.800 -0.020 0.000 1.130 119 F CA -1.229 56.774 58.000 0.006 0.000 0.962 119 F CB 0.709 39.747 39.000 0.063 0.000 1.171 119 F HN 0.315 nan 8.300 nan 0.000 0.436 120 I N 5.889 126.354 120.570 -0.175 0.000 2.390 120 I HA 0.209 4.379 4.170 -0.000 0.000 0.283 120 I C -0.354 175.470 176.117 -0.488 0.000 1.016 120 I CA -0.808 60.306 61.300 -0.309 0.000 1.151 120 I CB 1.325 39.250 38.000 -0.124 0.000 1.293 120 I HN 0.485 nan 8.210 nan 0.000 0.458 121 Q N 5.230 124.664 119.800 -0.610 0.000 2.295 121 Q HA 0.360 4.700 4.340 -0.000 0.000 0.259 121 Q C -0.475 175.398 176.000 -0.212 0.000 0.976 121 Q CA -0.091 55.427 55.803 -0.476 0.000 0.923 121 Q CB 2.117 30.579 28.738 -0.460 0.000 1.185 121 Q HN 0.396 nan 8.270 nan 0.000 0.410 122 V N 4.896 124.714 119.914 -0.160 0.000 2.361 122 V HA 0.191 4.311 4.120 -0.000 0.000 0.252 122 V C -2.068 173.962 176.094 -0.106 0.000 0.986 122 V CA -1.472 60.787 62.300 -0.069 0.000 1.033 122 V CB 0.712 32.484 31.823 -0.085 0.000 1.282 122 V HN 0.594 nan 8.190 nan 0.000 0.514 123 P HA 0.099 nan 4.420 nan 0.000 0.268 123 P C 0.540 177.783 177.300 -0.094 0.000 1.208 123 P CA 0.572 63.575 63.100 -0.160 0.000 0.777 123 P CB 1.078 32.555 31.700 -0.372 0.000 0.875 124 T N -2.691 111.772 114.554 -0.152 0.000 3.209 124 T HA 0.205 4.555 4.350 -0.000 0.000 0.295 124 T C 0.352 175.090 174.700 0.064 0.000 0.977 124 T CA -0.184 61.775 62.100 -0.235 0.000 0.922 124 T CB -0.201 68.280 68.868 -0.645 0.000 1.152 124 T HN 0.473 nan 8.240 nan 0.000 0.527 125 T N -0.077 114.557 114.554 0.134 0.000 2.864 125 T HA 0.665 5.014 4.350 -0.000 0.000 0.289 125 T C 0.754 175.622 174.700 0.280 0.000 1.082 125 T CA -0.812 61.392 62.100 0.174 0.000 1.009 125 T CB 1.277 70.208 68.868 0.106 0.000 1.234 125 T HN 0.112 nan 8.240 nan 0.000 0.526 126 I N 1.235 121.957 120.570 0.253 0.000 2.406 126 I HA 0.050 4.220 4.170 -0.000 0.000 0.249 126 I C 2.330 178.657 176.117 0.350 0.000 1.122 126 I CA 0.773 62.249 61.300 0.293 0.000 1.431 126 I CB -0.118 37.991 38.000 0.182 0.000 1.087 126 I HN 0.512 nan 8.210 nan 0.000 0.424 127 L N 1.111 122.495 121.223 0.269 0.000 2.191 127 L HA -0.111 4.229 4.340 -0.000 0.000 0.212 127 L C 2.419 179.409 176.870 0.200 0.000 1.103 127 L CA 1.226 56.233 54.840 0.279 0.000 0.769 127 L CB -0.192 41.990 42.059 0.206 0.000 0.908 127 L HN 0.188 nan 8.230 nan 0.000 0.438 128 A N -0.978 121.901 122.820 0.099 0.000 2.235 128 A HA -0.151 4.169 4.320 -0.000 0.000 0.208 128 A C 1.918 179.372 177.584 -0.217 0.000 1.172 128 A CA 0.735 52.729 52.037 -0.071 0.000 0.786 128 A CB -0.957 17.966 19.000 -0.128 0.000 0.804 128 A HN 0.798 nan 8.150 nan 0.000 0.479 129 H N -0.984 117.993 119.070 -0.155 0.000 2.502 129 H HA -0.059 4.497 4.556 -0.000 0.000 0.283 129 H C 1.264 176.623 175.328 0.052 0.000 1.015 129 H CA 1.509 57.498 56.048 -0.098 0.000 1.298 129 H CB -0.058 29.885 29.762 0.302 0.000 1.411 129 H HN 0.508 nan 8.280 nan 0.000 0.556 130 D N 1.410 121.468 120.400 -0.572 0.000 2.394 130 D HA -0.134 4.506 4.640 -0.000 0.000 0.237 130 D C 2.439 178.663 176.300 -0.126 0.000 1.028 130 D CA 2.260 56.023 54.000 -0.394 0.000 0.937 130 D CB -0.220 40.409 40.800 -0.286 0.000 1.072 130 D HN 0.299 nan 8.370 nan 0.000 0.457 131 S N -0.273 115.385 115.700 -0.070 0.000 2.420 131 S HA -0.208 4.262 4.470 -0.000 0.000 0.237 131 S C 1.977 176.547 174.600 -0.050 0.000 1.023 131 S CA 1.600 59.778 58.200 -0.038 0.000 0.991 131 S CB -0.992 62.194 63.200 -0.024 0.000 0.792 131 S HN 0.333 nan 8.310 nan 0.000 0.488 132 S N 0.096 115.739 115.700 -0.095 0.000 2.562 132 S HA 0.293 4.763 4.470 -0.000 0.000 0.221 132 S C 0.376 174.943 174.600 -0.056 0.000 0.975 132 S CA -0.246 57.890 58.200 -0.107 0.000 0.918 132 S CB -0.336 62.753 63.200 -0.184 0.000 0.772 132 S HN 0.348 nan 8.310 nan 0.000 0.531 133 V N 0.586 120.495 119.914 -0.008 0.000 2.555 133 V HA 0.789 4.909 4.120 -0.000 0.000 0.302 133 V C 1.107 177.266 176.094 0.109 0.000 1.038 133 V CA -0.135 62.217 62.300 0.086 0.000 0.887 133 V CB 0.715 32.581 31.823 0.072 0.000 0.991 133 V HN 0.442 nan 8.190 nan 0.000 0.434 134 G N 2.211 111.140 108.800 0.214 0.000 2.278 134 G HA2 0.123 4.082 3.960 -0.000 0.000 0.210 134 G HA3 0.123 4.082 3.960 -0.000 0.000 0.210 134 G C 1.116 176.137 174.900 0.202 0.000 1.000 134 G CA 0.314 45.542 45.100 0.214 0.000 0.635 134 G HN 2.255 nan 8.290 nan 0.000 0.495 135 G N -0.179 108.692 108.800 0.118 0.000 2.179 135 G HA2 -0.278 3.682 3.960 -0.000 0.000 0.260 135 G HA3 -0.278 3.682 3.960 -0.000 0.000 0.260 135 G C 0.247 175.165 174.900 0.029 0.000 0.977 135 G CA 1.167 46.326 45.100 0.098 0.000 0.641 135 G HN 0.934 nan 8.290 nan 0.000 0.533 136 K N 0.888 121.247 120.400 -0.068 0.000 2.349 136 K HA 0.478 4.798 4.320 -0.000 0.000 0.289 136 K C 0.676 177.183 176.600 -0.155 0.000 1.064 136 K CA 0.312 56.448 56.287 -0.251 0.000 0.947 136 K CB 1.302 33.633 32.500 -0.282 0.000 1.007 136 K HN 0.593 nan 8.250 nan 0.000 0.478 137 V N -0.479 119.324 119.914 -0.185 0.000 3.155 137 V HA 0.987 5.107 4.120 -0.000 0.000 0.313 137 V C 0.131 176.049 176.094 -0.293 0.000 1.162 137 V CA -0.466 61.747 62.300 -0.144 0.000 1.048 137 V CB 1.709 33.487 31.823 -0.075 0.000 1.092 137 V HN 0.887 nan 8.190 nan 0.000 0.447 138 G N 0.106 108.721 108.800 -0.308 0.000 2.369 138 G HA2 0.423 4.383 3.960 -0.000 0.000 0.293 138 G HA3 0.423 4.383 3.960 -0.000 0.000 0.293 138 G C -1.377 173.270 174.900 -0.421 0.000 1.301 138 G CA -0.289 44.426 45.100 -0.641 0.000 0.913 138 G HN 1.788 nan 8.290 nan 0.000 0.540 139 I N -2.521 117.704 120.570 -0.576 0.000 3.436 139 I HA 0.718 4.888 4.170 -0.000 0.000 0.300 139 I C -0.527 175.354 176.117 -0.393 0.000 1.131 139 I CA -1.487 59.594 61.300 -0.364 0.000 1.001 139 I CB 2.079 39.859 38.000 -0.366 0.000 1.305 139 I HN 0.420 nan 8.210 nan 0.000 0.494 140 N N 0.832 119.351 118.700 -0.302 0.000 2.459 140 N HA 0.442 5.181 4.740 -0.000 0.000 0.288 140 N C -0.898 174.475 175.510 -0.229 0.000 1.186 140 N CA -0.376 52.528 53.050 -0.244 0.000 0.917 140 N CB 1.969 40.398 38.487 -0.097 0.000 1.219 140 N HN 0.729 nan 8.380 nan 0.000 0.525 141 S N -0.557 115.033 115.700 -0.182 0.000 2.759 141 S HA 0.317 4.787 4.470 -0.000 0.000 0.310 141 S C 0.737 175.336 174.600 -0.002 0.000 1.123 141 S CA -0.537 57.636 58.200 -0.046 0.000 0.959 141 S CB 1.128 64.281 63.200 -0.079 0.000 1.172 141 S HN 0.431 nan 8.310 nan 0.000 0.539 142 K N 0.285 120.728 120.400 0.071 0.000 2.366 142 K HA 0.061 4.380 4.320 -0.000 0.000 0.198 142 K C 1.578 178.217 176.600 0.065 0.000 1.044 142 K CA 0.597 56.965 56.287 0.135 0.000 0.973 142 K CB 0.036 32.600 32.500 0.106 0.000 0.767 142 K HN 0.449 nan 8.250 nan 0.000 0.475 143 Q N -0.361 119.369 119.800 -0.116 0.000 2.354 143 Q HA 0.124 4.463 4.340 -0.000 0.000 0.203 143 Q C 0.991 176.603 176.000 -0.646 0.000 0.933 143 Q CA 0.620 56.264 55.803 -0.266 0.000 0.901 143 Q CB 1.085 29.678 28.738 -0.242 0.000 1.007 143 Q HN 0.316 nan 8.270 nan 0.000 0.495 144 G N 0.222 108.550 108.800 -0.787 0.000 2.315 144 G HA2 0.151 4.111 3.960 -0.000 0.000 0.294 144 G HA3 0.151 4.111 3.960 -0.000 0.000 0.294 144 G C -1.738 172.756 174.900 -0.677 0.000 1.300 144 G CA -0.977 43.507 45.100 -1.026 0.000 0.843 144 G HN -0.022 nan 8.290 nan 0.000 0.527 145 K N 0.439 120.593 120.400 -0.410 0.000 2.270 145 K HA 0.318 4.638 4.320 -0.000 0.000 0.276 145 K C 0.278 176.671 176.600 -0.345 0.000 1.023 145 K CA 0.137 56.233 56.287 -0.318 0.000 0.955 145 K CB 0.099 32.408 32.500 -0.319 0.000 0.975 145 K HN 0.525 nan 8.250 nan 0.000 0.471 146 N N 2.794 121.306 118.700 -0.313 0.000 2.714 146 N HA -0.195 4.545 4.740 -0.000 0.000 0.252 146 N C -0.280 175.048 175.510 -0.303 0.000 1.014 146 N CA 0.475 53.337 53.050 -0.314 0.000 0.735 146 N CB -0.880 37.441 38.487 -0.278 0.000 0.924 146 N HN 0.457 nan 8.380 nan 0.000 0.540 147 L N -0.931 120.106 121.223 -0.311 0.000 2.585 147 L HA 0.356 4.696 4.340 -0.000 0.000 0.226 147 L C 0.273 176.986 176.870 -0.262 0.000 1.113 147 L CA 0.496 55.181 54.840 -0.257 0.000 0.876 147 L CB 0.268 42.187 42.059 -0.234 0.000 1.072 147 L HN 0.252 nan 8.230 nan 0.000 0.468 148 I N -1.490 118.840 120.570 -0.400 0.000 2.571 148 I HA 0.663 4.833 4.170 -0.000 0.000 0.289 148 I C 0.345 175.937 176.117 -0.875 0.000 1.115 148 I CA -0.186 60.819 61.300 -0.493 0.000 1.045 148 I CB 1.835 39.531 38.000 -0.507 0.000 1.238 148 I HN -0.006 nan 8.210 nan 0.000 0.424 149 G N 3.338 111.626 108.800 -0.854 0.000 2.441 149 G HA2 0.896 4.856 3.960 -0.000 0.000 0.225 149 G HA3 0.896 4.856 3.960 -0.000 0.000 0.225 149 G C -1.994 172.675 174.900 -0.384 0.000 1.200 149 G CA 0.158 44.614 45.100 -1.074 0.000 0.947 149 G HN 1.099 nan 8.290 nan 0.000 0.484 150 A N -1.621 121.063 122.820 -0.227 0.000 2.544 150 A HA 0.671 4.991 4.320 -0.000 0.000 0.291 150 A C -2.116 175.437 177.584 -0.052 0.000 1.055 150 A CA -0.681 51.357 52.037 0.002 0.000 0.651 150 A CB 0.440 19.544 19.000 0.175 0.000 1.296 150 A HN 1.191 nan 8.150 nan 0.000 0.431 151 F N 0.970 120.954 119.950 0.056 0.000 2.350 151 F HA 0.551 5.078 4.527 -0.000 0.000 0.365 151 F C -0.392 175.482 175.800 0.124 0.000 1.122 151 F CA 0.301 58.337 58.000 0.060 0.000 1.139 151 F CB 0.879 39.887 39.000 0.013 0.000 1.220 151 F HN 0.484 nan 8.300 nan 0.000 0.499 152 Y N 3.560 123.920 120.300 0.099 0.000 2.322 152 Y HA 0.442 4.992 4.550 -0.000 0.000 0.324 152 Y C -0.093 175.829 175.900 0.038 0.000 1.027 152 Y CA -1.151 56.979 58.100 0.050 0.000 1.179 152 Y CB 0.893 39.354 38.460 0.001 0.000 1.136 152 Y HN 0.433 nan 8.280 nan 0.000 0.449 153 R N 7.087 127.461 120.500 -0.210 0.000 2.421 153 R HA 0.168 4.507 4.340 -0.000 0.000 0.305 153 R C -2.371 173.755 176.300 -0.290 0.000 1.039 153 R CA -1.423 54.542 56.100 -0.226 0.000 1.003 153 R CB 0.108 30.329 30.300 -0.132 0.000 0.959 153 R HN 0.422 nan 8.270 nan 0.000 0.427 154 P HA 0.017 nan 4.420 nan 0.000 0.272 154 P C 0.107 177.212 177.300 -0.324 0.000 1.223 154 P CA -0.179 62.719 63.100 -0.335 0.000 0.784 154 P CB 0.927 32.247 31.700 -0.632 0.000 0.923 155 T N 0.213 114.726 114.554 -0.067 0.000 2.788 155 T HA 0.118 4.468 4.350 -0.000 0.000 0.268 155 T C 0.872 175.678 174.700 0.177 0.000 1.044 155 T CA 1.635 63.801 62.100 0.110 0.000 1.139 155 T CB -0.191 68.845 68.868 0.279 0.000 0.867 155 T HN 0.790 nan 8.240 nan 0.000 0.454 156 A N -0.135 122.699 122.820 0.024 0.000 2.599 156 A HA 0.604 4.923 4.320 -0.000 0.000 0.294 156 A C -1.673 175.870 177.584 -0.069 0.000 1.055 156 A CA -0.795 51.284 52.037 0.069 0.000 0.683 156 A CB 1.157 20.216 19.000 0.099 0.000 1.278 156 A HN 0.044 nan 8.150 nan 0.000 0.412 157 V N 1.251 121.173 119.914 0.014 0.000 2.495 157 V HA 0.597 4.716 4.120 -0.000 0.000 0.298 157 V C -0.662 175.500 176.094 0.113 0.000 1.031 157 V CA -0.190 62.104 62.300 -0.010 0.000 0.871 157 V CB 1.428 33.266 31.823 0.025 0.000 0.988 157 V HN 0.648 nan 8.190 nan 0.000 0.432 158 I N 4.727 125.385 120.570 0.146 0.000 2.495 158 I HA 0.305 4.475 4.170 -0.000 0.000 0.277 158 I C -0.771 175.545 176.117 0.332 0.000 1.045 158 I CA -0.113 61.376 61.300 0.314 0.000 1.135 158 I CB 0.914 39.086 38.000 0.286 0.000 1.241 158 I HN 0.652 nan 8.210 nan 0.000 0.469 159 Y N 5.567 125.984 120.300 0.196 0.000 2.751 159 Y HA 0.210 4.760 4.550 -0.000 0.000 0.333 159 Y C 0.270 176.271 175.900 0.167 0.000 1.122 159 Y CA -1.021 57.182 58.100 0.171 0.000 1.367 159 Y CB 0.479 39.023 38.460 0.140 0.000 1.242 159 Y HN 0.472 nan 8.280 nan 0.000 0.505 160 D N 5.558 126.174 120.400 0.360 0.000 2.346 160 D HA 0.020 4.660 4.640 -0.000 0.000 0.260 160 D C 0.668 176.916 176.300 -0.085 0.000 1.252 160 D CA 0.191 54.236 54.000 0.075 0.000 0.895 160 D CB 0.937 41.733 40.800 -0.007 0.000 1.097 160 D HN 0.711 nan 8.370 nan 0.000 0.489 161 L N 2.916 123.917 121.223 -0.370 0.000 2.633 161 L HA -0.053 4.287 4.340 -0.000 0.000 0.235 161 L C 1.095 177.809 176.870 -0.260 0.000 1.163 161 L CA 0.329 54.847 54.840 -0.536 0.000 0.859 161 L CB -0.090 41.383 42.059 -0.976 0.000 0.973 161 L HN 0.285 nan 8.230 nan 0.000 0.451 162 D N -0.767 119.536 120.400 -0.162 0.000 2.347 162 D HA -0.046 4.594 4.640 -0.000 0.000 0.213 162 D C 1.663 177.907 176.300 -0.093 0.000 0.985 162 D CA 0.695 54.663 54.000 -0.055 0.000 0.879 162 D CB 0.117 40.817 40.800 -0.167 0.000 0.919 162 D HN 0.154 nan 8.370 nan 0.000 0.526 163 F N 0.327 120.287 119.950 0.017 0.000 2.604 163 F HA 0.085 4.611 4.527 -0.000 0.000 0.298 163 F C 1.821 177.678 175.800 0.095 0.000 1.131 163 F CA 0.424 58.440 58.000 0.028 0.000 1.457 163 F CB -0.262 38.710 39.000 -0.045 0.000 1.095 163 F HN 0.003 nan 8.300 nan 0.000 0.574 164 L N -0.515 120.847 121.223 0.232 0.000 2.395 164 L HA -0.102 4.238 4.340 -0.000 0.000 0.218 164 L C 1.819 178.791 176.870 0.170 0.000 1.130 164 L CA 0.863 55.817 54.840 0.191 0.000 0.826 164 L CB -0.660 41.489 42.059 0.150 0.000 0.941 164 L HN 0.078 nan 8.230 nan 0.000 0.451 165 K N 0.150 120.649 120.400 0.166 0.000 2.504 165 K HA -0.023 4.297 4.320 -0.000 0.000 0.195 165 K C 1.165 177.854 176.600 0.148 0.000 1.036 165 K CA 1.187 57.559 56.287 0.142 0.000 0.984 165 K CB -0.041 32.530 32.500 0.119 0.000 0.788 165 K HN 0.377 nan 8.250 nan 0.000 0.488 166 T N -1.105 113.550 114.554 0.169 0.000 3.132 166 T HA 0.272 4.622 4.350 -0.000 0.000 0.274 166 T C 0.354 175.097 174.700 0.073 0.000 1.011 166 T CA -0.422 61.756 62.100 0.130 0.000 0.899 166 T CB 0.130 69.052 68.868 0.090 0.000 1.089 166 T HN -0.059 nan 8.240 nan 0.000 0.543 167 L N 2.629 123.917 121.223 0.109 0.000 2.305 167 L HA 0.431 4.771 4.340 -0.000 0.000 0.281 167 L C -2.196 174.746 176.870 0.120 0.000 1.085 167 L CA -2.145 52.755 54.840 0.100 0.000 0.813 167 L CB 0.654 42.783 42.059 0.116 0.000 1.157 167 L HN -0.025 nan 8.230 nan 0.000 0.436 168 P HA 0.079 nan 4.420 nan 0.000 0.274 168 P C 0.392 177.786 177.300 0.156 0.000 1.246 168 P CA -0.395 62.787 63.100 0.137 0.000 0.795 168 P CB 0.621 32.391 31.700 0.117 0.000 1.006 169 F N 1.222 121.176 119.950 0.006 0.000 2.134 169 F HA -0.194 4.333 4.527 -0.000 0.000 0.299 169 F C 2.254 178.039 175.800 -0.026 0.000 1.097 169 F CA 1.381 59.362 58.000 -0.031 0.000 1.264 169 F CB 0.102 39.066 39.000 -0.060 0.000 1.001 169 F HN 0.232 nan 8.300 nan 0.000 0.479 170 K N -0.238 120.166 120.400 0.006 0.000 2.218 170 K HA -0.241 4.079 4.320 -0.000 0.000 0.205 170 K C 1.693 178.300 176.600 0.011 0.000 1.046 170 K CA 1.618 57.898 56.287 -0.012 0.000 0.933 170 K CB 0.012 32.531 32.500 0.032 0.000 0.728 170 K HN 0.328 nan 8.250 nan 0.000 0.454 171 Q N -0.179 119.616 119.800 -0.008 0.000 2.376 171 Q HA 0.031 4.371 4.340 -0.000 0.000 0.206 171 Q C 2.025 178.013 176.000 -0.020 0.000 0.921 171 Q CA 0.350 56.172 55.803 0.032 0.000 0.911 171 Q CB 0.215 28.992 28.738 0.065 0.000 1.032 171 Q HN 0.320 nan 8.270 nan 0.000 0.510 172 I N 0.907 121.397 120.570 -0.134 0.000 2.163 172 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 172 I C 2.396 178.341 176.117 -0.288 0.000 1.081 172 I CA 1.085 62.278 61.300 -0.178 0.000 1.353 172 I CB -1.172 36.697 38.000 -0.218 0.000 1.054 172 I HN 0.151 nan 8.210 nan 0.000 0.407 173 L N 0.124 120.961 121.223 -0.643 0.000 1.989 173 L HA -0.253 4.086 4.340 -0.000 0.000 0.211 173 L C 2.839 179.576 176.870 -0.222 0.000 1.071 173 L CA 1.649 56.036 54.840 -0.754 0.000 0.749 173 L CB -0.737 40.484 42.059 -1.395 0.000 0.890 173 L HN 0.242 nan 8.230 nan 0.000 0.431 174 S N -0.091 115.572 115.700 -0.061 0.000 2.353 174 S HA -0.177 4.292 4.470 -0.000 0.000 0.222 174 S C 1.969 176.653 174.600 0.139 0.000 1.035 174 S CA 1.642 59.951 58.200 0.182 0.000 1.025 174 S CB -0.548 62.809 63.200 0.263 0.000 0.902 174 S HN 0.560 nan 8.310 nan 0.000 0.440 175 G N -1.078 107.793 108.800 0.117 0.000 2.422 175 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.218 175 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.218 175 G C 1.285 176.260 174.900 0.125 0.000 1.140 175 G CA 0.828 46.016 45.100 0.148 0.000 0.775 175 G HN 0.650 nan 8.290 nan 0.000 0.545 176 Y N 1.887 122.176 120.300 -0.019 0.000 2.315 176 Y HA -0.024 4.526 4.550 -0.000 0.000 0.288 176 Y C 2.824 178.762 175.900 0.064 0.000 1.154 176 Y CA 1.096 59.176 58.100 -0.032 0.000 1.229 176 Y CB 0.003 38.381 38.460 -0.137 0.000 0.980 176 Y HN 0.256 nan 8.280 nan 0.000 0.540 177 A N 0.005 122.834 122.820 0.015 0.000 2.019 177 A HA -0.164 4.156 4.320 -0.000 0.000 0.219 177 A C 2.030 179.560 177.584 -0.090 0.000 1.164 177 A CA 1.845 53.844 52.037 -0.063 0.000 0.644 177 A CB -0.373 18.582 19.000 -0.076 0.000 0.805 177 A HN 0.513 nan 8.150 nan 0.000 0.449 178 E N -0.435 119.736 120.200 -0.049 0.000 2.140 178 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 178 E C 2.165 178.672 176.600 -0.155 0.000 0.973 178 E CA 0.961 57.317 56.400 -0.073 0.000 0.829 178 E CB -0.475 29.303 29.700 0.130 0.000 0.781 178 E HN 0.385 nan 8.360 nan 0.000 0.466 179 V N 0.986 120.849 119.914 -0.085 0.000 2.407 179 V HA -0.256 3.864 4.120 -0.000 0.000 0.248 179 V C 2.205 178.227 176.094 -0.120 0.000 1.055 179 V CA 1.695 63.935 62.300 -0.099 0.000 1.049 179 V CB -0.635 31.076 31.823 -0.188 0.000 0.662 179 V HN 0.260 nan 8.190 nan 0.000 0.455 180 Y N 0.799 120.812 120.300 -0.478 0.000 2.263 180 Y HA -0.179 4.371 4.550 -0.000 0.000 0.292 180 Y C 2.676 178.523 175.900 -0.089 0.000 1.130 180 Y CA 2.049 59.959 58.100 -0.317 0.000 1.179 180 Y CB 0.017 38.239 38.460 -0.396 0.000 0.998 180 Y HN 0.098 nan 8.280 nan 0.000 0.532 181 K N -0.482 119.827 120.400 -0.152 0.000 2.057 181 K HA -0.240 4.080 4.320 -0.000 0.000 0.207 181 K C 1.677 178.235 176.600 -0.072 0.000 1.049 181 K CA 2.097 58.287 56.287 -0.162 0.000 0.931 181 K CB -0.426 31.999 32.500 -0.125 0.000 0.714 181 K HN 0.567 nan 8.250 nan 0.000 0.440 182 H N -0.676 118.407 119.070 0.021 0.000 2.421 182 H HA -0.074 4.482 4.556 -0.000 0.000 0.298 182 H C 2.000 177.347 175.328 0.032 0.000 1.087 182 H CA 0.673 56.755 56.048 0.056 0.000 1.330 182 H CB 0.120 29.963 29.762 0.135 0.000 1.388 182 H HN 0.358 nan 8.280 nan 0.000 0.526 183 A N 1.078 123.959 122.820 0.101 0.000 1.855 183 A HA -0.123 4.196 4.320 -0.000 0.000 0.215 183 A C 2.301 179.897 177.584 0.021 0.000 1.191 183 A CA 1.014 53.081 52.037 0.051 0.000 0.613 183 A CB -0.790 18.202 19.000 -0.013 0.000 0.829 183 A HN 0.294 nan 8.150 nan 0.000 0.442 184 L N -0.878 120.284 121.223 -0.103 0.000 2.129 184 L HA -0.214 4.126 4.340 -0.000 0.000 0.212 184 L C 2.236 179.178 176.870 0.120 0.000 1.087 184 L CA 0.767 55.635 54.840 0.047 0.000 0.757 184 L CB -0.442 41.532 42.059 -0.142 0.000 0.896 184 L HN 0.297 nan 8.230 nan 0.000 0.434 185 L N -0.799 120.456 121.223 0.053 0.000 2.240 185 L HA -0.081 4.259 4.340 -0.000 0.000 0.211 185 L C 2.091 179.009 176.870 0.080 0.000 1.106 185 L CA 1.309 56.176 54.840 0.045 0.000 0.793 185 L CB -1.146 40.950 42.059 0.062 0.000 0.927 185 L HN 0.292 nan 8.230 nan 0.000 0.446 186 N N 0.066 118.829 118.700 0.104 0.000 2.515 186 N HA 0.032 4.772 4.740 -0.000 0.000 0.185 186 N C 0.624 176.190 175.510 0.092 0.000 1.109 186 N CA 0.896 54.001 53.050 0.092 0.000 0.903 186 N CB 0.579 39.126 38.487 0.099 0.000 0.969 186 N HN 0.367 nan 8.380 nan 0.000 0.450 187 G N 0.407 109.297 108.800 0.150 0.000 2.392 187 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.677 187 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.677 187 G C 0.026 174.886 174.900 -0.066 0.000 1.334 187 G CA -0.174 45.005 45.100 0.133 0.000 0.961 187 G HN 0.158 nan 8.290 nan 0.000 0.616 188 E N -0.476 119.503 120.200 -0.368 0.000 2.204 188 E HA -0.101 4.249 4.350 -0.000 0.000 0.195 188 E C 2.449 178.740 176.600 -0.515 0.000 0.990 188 E CA 1.744 57.491 56.400 -1.088 0.000 0.821 188 E CB -0.036 29.203 29.700 -0.767 0.000 0.750 188 E HN 0.515 nan 8.360 nan 0.000 0.477 189 S N -0.099 115.459 115.700 -0.236 0.000 2.335 189 S HA -0.100 4.369 4.470 -0.000 0.000 0.217 189 S C 2.104 176.670 174.600 -0.057 0.000 1.032 189 S CA 1.208 59.337 58.200 -0.118 0.000 0.985 189 S CB -0.256 62.911 63.200 -0.055 0.000 0.896 189 S HN 0.386 nan 8.310 nan 0.000 0.445 190 A N 0.512 123.326 122.820 -0.011 0.000 1.978 190 A HA -0.045 4.275 4.320 -0.000 0.000 0.220 190 A C 2.309 179.939 177.584 0.077 0.000 1.170 190 A CA 2.258 54.340 52.037 0.075 0.000 0.636 190 A CB -1.453 17.609 19.000 0.103 0.000 0.810 190 A HN 0.626 nan 8.150 nan 0.000 0.448 191 T N -0.162 114.388 114.554 -0.005 0.000 2.668 191 T HA -0.147 4.203 4.350 -0.000 0.000 0.258 191 T C 2.023 176.757 174.700 0.056 0.000 1.051 191 T CA 1.580 63.703 62.100 0.037 0.000 1.155 191 T CB -0.305 68.585 68.868 0.037 0.000 0.864 191 T HN 0.602 nan 8.240 nan 0.000 0.413 192 Q N 0.388 120.153 119.800 -0.058 0.000 2.291 192 Q HA -0.143 4.197 4.340 -0.000 0.000 0.206 192 Q C 1.954 177.957 176.000 0.005 0.000 0.976 192 Q CA 1.253 57.026 55.803 -0.051 0.000 0.875 192 Q CB -0.127 28.537 28.738 -0.123 0.000 0.927 192 Q HN 0.484 nan 8.270 nan 0.000 0.450 193 D N 0.460 120.885 120.400 0.042 0.000 2.162 193 D HA -0.087 4.553 4.640 -0.000 0.000 0.203 193 D C 1.585 177.975 176.300 0.150 0.000 0.967 193 D CA 0.548 54.610 54.000 0.103 0.000 0.840 193 D CB 0.068 40.948 40.800 0.134 0.000 0.972 193 D HN 0.212 nan 8.370 nan 0.000 0.482 194 I N -0.008 120.639 120.570 0.127 0.000 2.406 194 I HA -0.093 4.077 4.170 -0.000 0.000 0.249 194 I C 1.758 177.990 176.117 0.193 0.000 1.122 194 I CA 0.837 62.135 61.300 -0.003 0.000 1.431 194 I CB -0.000 38.002 38.000 0.004 0.000 1.087 194 I HN 0.007 nan 8.210 nan 0.000 0.424 195 E N 0.144 120.434 120.200 0.150 0.000 2.153 195 E HA -0.303 4.047 4.350 -0.000 0.000 0.194 195 E C 2.003 178.613 176.600 0.016 0.000 0.988 195 E CA 1.075 57.438 56.400 -0.062 0.000 0.811 195 E CB -0.018 29.522 29.700 -0.266 0.000 0.746 195 E HN 0.573 nan 8.360 nan 0.000 0.466 196 Q N -0.294 119.537 119.800 0.050 0.000 2.123 196 Q HA -0.195 4.145 4.340 -0.000 0.000 0.199 196 Q C 1.974 178.011 176.000 0.061 0.000 0.966 196 Q CA 1.333 57.166 55.803 0.051 0.000 0.845 196 Q CB 0.038 28.807 28.738 0.053 0.000 0.907 196 Q HN 0.319 nan 8.270 nan 0.000 0.439 197 H N -0.750 118.303 119.070 -0.030 0.000 2.294 197 H HA -0.022 4.534 4.556 -0.000 0.000 0.306 197 H C -0.251 174.955 175.328 -0.203 0.000 1.065 197 H CA 1.244 57.201 56.048 -0.153 0.000 1.343 197 H CB 0.005 29.618 29.762 -0.248 0.000 1.396 197 H HN 0.104 nan 8.280 nan 0.000 0.506 198 F N 2.218 122.221 119.950 0.088 0.000 2.605 198 F HA 0.216 4.743 4.527 -0.000 0.000 0.352 198 F C 1.226 177.105 175.800 0.133 0.000 1.236 198 F CA -0.246 57.769 58.000 0.025 0.000 1.267 198 F CB 0.342 39.358 39.000 0.026 0.000 1.632 198 F HN 0.210 nan 8.300 nan 0.000 0.639 199 K N 0.421 120.927 120.400 0.177 0.000 2.103 199 K HA -0.006 4.314 4.320 -0.000 0.000 0.204 199 K C -0.152 176.553 176.600 0.175 0.000 1.052 199 K CA 1.076 57.477 56.287 0.190 0.000 0.945 199 K CB -0.101 32.439 32.500 0.067 0.000 0.722 199 K HN 0.529 nan 8.250 nan 0.000 0.443 200 D N -2.230 118.222 120.400 0.086 0.000 2.665 200 D HA 0.107 4.747 4.640 -0.000 0.000 0.287 200 D C 0.341 176.635 176.300 -0.011 0.000 1.266 200 D CA -0.920 53.091 54.000 0.017 0.000 0.830 200 D CB 0.903 41.705 40.800 0.004 0.000 1.356 200 D HN -0.217 nan 8.370 nan 0.000 0.437 201 R N 0.293 120.768 120.500 -0.042 0.000 2.162 201 R HA -0.298 4.041 4.340 -0.000 0.000 0.245 201 R C 1.257 177.464 176.300 -0.156 0.000 1.129 201 R CA 2.463 58.516 56.100 -0.077 0.000 0.940 201 R CB -0.416 29.783 30.300 -0.168 0.000 0.875 201 R HN 0.691 nan 8.270 nan 0.000 0.437 202 E N -0.025 120.090 120.200 -0.141 0.000 2.130 202 E HA -0.211 4.138 4.350 -0.000 0.000 0.196 202 E C 2.074 178.649 176.600 -0.042 0.000 0.998 202 E CA 1.401 57.727 56.400 -0.124 0.000 0.806 202 E CB -0.137 29.509 29.700 -0.090 0.000 0.738 202 E HN 0.435 nan 8.360 nan 0.000 0.459 203 I N 1.190 121.766 120.570 0.011 0.000 2.163 203 I HA -0.221 3.949 4.170 -0.000 0.000 0.240 203 I C 2.567 178.828 176.117 0.241 0.000 1.081 203 I CA 0.973 62.325 61.300 0.087 0.000 1.353 203 I CB -1.345 36.694 38.000 0.065 0.000 1.054 203 I HN 0.173 nan 8.210 nan 0.000 0.407 204 L N 0.484 121.827 121.223 0.200 0.000 1.955 204 L HA -0.303 4.037 4.340 -0.000 0.000 0.213 204 L C 2.769 179.738 176.870 0.164 0.000 1.072 204 L CA 1.900 56.763 54.840 0.037 0.000 0.755 204 L CB -0.488 41.495 42.059 -0.127 0.000 0.888 204 L HN 0.356 nan 8.230 nan 0.000 0.432 205 Q N -0.459 119.469 119.800 0.214 0.000 2.197 205 Q HA -0.277 4.063 4.340 -0.000 0.000 0.211 205 Q C 2.159 178.210 176.000 0.085 0.000 0.993 205 Q CA 2.692 58.552 55.803 0.095 0.000 0.883 205 Q CB -0.033 28.423 28.738 -0.471 0.000 0.916 205 Q HN 0.716 nan 8.270 nan 0.000 0.418 206 S N -0.717 115.030 115.700 0.078 0.000 2.406 206 S HA -0.054 4.416 4.470 -0.000 0.000 0.228 206 S C 1.183 175.878 174.600 0.159 0.000 1.020 206 S CA 0.865 59.120 58.200 0.093 0.000 0.965 206 S CB -0.070 63.174 63.200 0.073 0.000 0.798 206 S HN 0.576 nan 8.310 nan 0.000 0.488 207 L N 0.452 121.819 121.223 0.241 0.000 4.613 207 L HA -0.141 4.199 4.340 -0.000 0.000 0.409 207 L C 0.063 177.158 176.870 0.374 0.000 1.100 207 L CA 0.232 55.259 54.840 0.311 0.000 1.029 207 L CB -2.240 39.949 42.059 0.216 0.000 2.137 207 L HN 0.523 nan 8.230 nan 0.000 0.713 208 N N 1.217 120.130 118.700 0.355 0.000 2.497 208 N HA 0.292 5.032 4.740 -0.000 0.000 0.268 208 N C 1.238 177.017 175.510 0.449 0.000 1.171 208 N CA 1.492 54.721 53.050 0.299 0.000 0.948 208 N CB 1.306 39.906 38.487 0.188 0.000 1.069 208 N HN 0.389 nan 8.380 nan 0.000 0.460 209 G N 3.214 112.192 108.800 0.297 0.000 2.148 209 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.254 209 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.254 209 G C 0.785 175.890 174.900 0.341 0.000 0.981 209 G CA 0.666 45.845 45.100 0.132 0.000 0.670 209 G HN 0.595 nan 8.290 nan 0.000 0.528 210 M N 0.559 120.469 119.600 0.517 0.000 2.216 210 M HA 0.217 4.696 4.480 -0.000 0.000 0.264 210 M C 1.925 178.416 176.300 0.319 0.000 1.080 210 M CA 2.259 57.908 55.300 0.582 0.000 1.153 210 M CB -0.462 32.406 32.600 0.447 0.000 1.356 210 M HN 0.044 nan 8.290 nan 0.000 0.432 211 D N 0.597 121.123 120.400 0.210 0.000 2.220 211 D HA -0.247 4.393 4.640 -0.000 0.000 0.198 211 D C 1.871 178.213 176.300 0.069 0.000 1.001 211 D CA 1.273 55.340 54.000 0.112 0.000 0.875 211 D CB -0.346 40.545 40.800 0.151 0.000 0.921 211 D HN 0.432 nan 8.370 nan 0.000 0.454 212 K N -0.208 120.215 120.400 0.038 0.000 2.076 212 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 212 K C 1.714 178.248 176.600 -0.111 0.000 1.051 212 K CA 0.631 56.857 56.287 -0.102 0.000 0.949 212 K CB -0.234 32.100 32.500 -0.276 0.000 0.726 212 K HN 0.240 nan 8.250 nan 0.000 0.443 213 Y N 0.688 121.069 120.300 0.135 0.000 2.583 213 Y HA 0.024 4.574 4.550 -0.000 0.000 0.293 213 Y C 1.970 177.954 175.900 0.141 0.000 1.157 213 Y CA 0.260 58.467 58.100 0.178 0.000 1.315 213 Y CB 0.170 38.833 38.460 0.337 0.000 1.021 213 Y HN 0.027 nan 8.280 nan 0.000 0.536 214 I N -1.328 119.368 120.570 0.211 0.000 2.556 214 I HA -0.116 4.054 4.170 -0.000 0.000 0.251 214 I C 2.485 178.728 176.117 0.210 0.000 1.105 214 I CA 0.867 62.252 61.300 0.143 0.000 1.436 214 I CB -0.641 37.426 38.000 0.111 0.000 1.139 214 I HN 0.131 nan 8.210 nan 0.000 0.438 215 A N 1.161 124.064 122.820 0.139 0.000 1.940 215 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 215 A C 2.348 180.000 177.584 0.113 0.000 1.176 215 A CA 1.956 54.064 52.037 0.118 0.000 0.631 215 A CB -0.561 18.473 19.000 0.056 0.000 0.814 215 A HN 0.358 nan 8.150 nan 0.000 0.446 216 K N -0.639 119.823 120.400 0.104 0.000 2.211 216 K HA -0.061 4.259 4.320 -0.000 0.000 0.203 216 K C 1.903 178.593 176.600 0.149 0.000 1.050 216 K CA 1.192 57.539 56.287 0.100 0.000 0.945 216 K CB -0.386 32.169 32.500 0.092 0.000 0.732 216 K HN 0.394 nan 8.250 nan 0.000 0.451 217 G N 1.213 110.165 108.800 0.254 0.000 2.395 217 G HA2 -0.138 3.821 3.960 -0.000 0.000 0.214 217 G HA3 -0.138 3.821 3.960 -0.000 0.000 0.214 217 G C 1.474 176.465 174.900 0.152 0.000 1.177 217 G CA 0.449 45.774 45.100 0.376 0.000 0.794 217 G HN 0.195 nan 8.290 nan 0.000 0.532 218 I N 0.812 121.545 120.570 0.272 0.000 2.127 218 I HA -0.204 3.966 4.170 -0.000 0.000 0.241 218 I C 2.795 178.917 176.117 0.009 0.000 1.075 218 I CA 1.458 62.842 61.300 0.141 0.000 1.334 218 I CB -0.327 37.792 38.000 0.198 0.000 1.040 218 I HN 0.268 nan 8.210 nan 0.000 0.405 219 E N 0.462 120.674 120.200 0.019 0.000 2.033 219 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 219 E C 2.104 178.666 176.600 -0.063 0.000 1.011 219 E CA 2.165 58.552 56.400 -0.022 0.000 0.815 219 E CB -0.386 29.311 29.700 -0.004 0.000 0.755 219 E HN 0.462 nan 8.360 nan 0.000 0.451 220 T N 1.164 115.672 114.554 -0.078 0.000 2.721 220 T HA -0.252 4.098 4.350 -0.000 0.000 0.268 220 T C 1.796 176.395 174.700 -0.169 0.000 1.038 220 T CA 1.762 63.793 62.100 -0.115 0.000 1.145 220 T CB -0.145 68.645 68.868 -0.129 0.000 0.858 220 T HN 0.131 nan 8.240 nan 0.000 0.459 221 K N 0.518 120.765 120.400 -0.255 0.000 2.044 221 K HA 0.138 4.457 4.320 -0.000 0.000 0.204 221 K C 2.338 178.887 176.600 -0.084 0.000 1.049 221 K CA 0.562 56.740 56.287 -0.182 0.000 0.945 221 K CB -0.329 32.055 32.500 -0.193 0.000 0.724 221 K HN 0.269 nan 8.250 nan 0.000 0.440 222 L N 1.432 122.605 121.223 -0.084 0.000 2.197 222 L HA -0.274 4.066 4.340 -0.000 0.000 0.215 222 L C 1.054 177.852 176.870 -0.121 0.000 1.095 222 L CA 1.850 56.633 54.840 -0.095 0.000 0.764 222 L CB -0.180 41.814 42.059 -0.108 0.000 0.897 222 L HN 0.233 nan 8.230 nan 0.000 0.436 223 D N -0.223 120.121 120.400 -0.092 0.000 2.120 223 D HA -0.095 4.545 4.640 -0.000 0.000 0.202 223 D C 2.230 178.499 176.300 -0.053 0.000 0.972 223 D CA 1.334 55.286 54.000 -0.080 0.000 0.837 223 D CB -0.046 40.723 40.800 -0.051 0.000 0.989 223 D HN 0.329 nan 8.370 nan 0.000 0.469 224 I N 1.192 121.749 120.570 -0.021 0.000 2.493 224 I HA -0.128 4.042 4.170 -0.000 0.000 0.254 224 I C 2.472 178.603 176.117 0.023 0.000 1.160 224 I CA 0.783 62.092 61.300 0.015 0.000 1.445 224 I CB -1.102 36.926 38.000 0.046 0.000 1.086 224 I HN -0.000 nan 8.210 nan 0.000 0.433 225 V N -1.571 118.358 119.914 0.026 0.000 2.535 225 V HA -0.018 4.102 4.120 -0.000 0.000 0.246 225 V C 2.337 178.498 176.094 0.111 0.000 1.045 225 V CA 0.860 63.222 62.300 0.104 0.000 1.058 225 V CB -0.734 31.179 31.823 0.151 0.000 0.689 225 V HN 0.127 nan 8.190 nan 0.000 0.461 226 V N 1.220 121.051 119.914 -0.138 0.000 2.453 226 V HA -0.022 4.098 4.120 -0.000 0.000 0.247 226 V C 3.060 179.080 176.094 -0.124 0.000 1.048 226 V CA 2.004 64.009 62.300 -0.491 0.000 1.049 226 V CB -0.892 30.546 31.823 -0.642 0.000 0.672 226 V HN 0.632 nan 8.190 nan 0.000 0.457 227 A N -0.648 122.132 122.820 -0.065 0.000 2.066 227 A HA -0.091 4.229 4.320 -0.000 0.000 0.218 227 A C 1.266 178.863 177.584 0.020 0.000 1.157 227 A CA 1.662 53.688 52.037 -0.018 0.000 0.670 227 A CB -0.128 18.858 19.000 -0.023 0.000 0.804 227 A HN 0.552 nan 8.150 nan 0.000 0.453 228 D N -1.643 118.785 120.400 0.048 0.000 3.285 228 D HA 0.114 4.753 4.640 -0.000 0.000 0.273 228 D C 0.604 176.948 176.300 0.072 0.000 1.295 228 D CA -0.233 53.786 54.000 0.032 0.000 0.762 228 D CB -0.170 40.619 40.800 -0.019 0.000 1.379 228 D HN 0.301 nan 8.370 nan 0.000 0.612 229 E N 0.443 120.727 120.200 0.140 0.000 2.086 229 E HA -0.239 4.111 4.350 -0.000 0.000 0.200 229 E C 0.703 177.315 176.600 0.021 0.000 1.012 229 E CA 1.053 57.549 56.400 0.160 0.000 0.812 229 E CB 0.342 30.106 29.700 0.106 0.000 0.743 229 E HN -0.044 nan 8.360 nan 0.000 0.453 230 K N 0.846 121.135 120.400 -0.185 0.000 2.504 230 K HA 0.056 4.376 4.320 -0.000 0.000 0.199 230 K C -0.528 175.943 176.600 -0.214 0.000 1.028 230 K CA 0.208 56.189 56.287 -0.511 0.000 1.164 230 K CB -0.044 32.136 32.500 -0.532 0.000 0.877 230 K HN 0.206 nan 8.250 nan 0.000 0.508 231 E N 1.046 121.244 120.200 -0.004 0.000 2.230 231 E HA -0.242 4.108 4.350 -0.000 0.000 0.206 231 E C -0.839 175.734 176.600 -0.045 0.000 1.309 231 E CA 0.103 56.518 56.400 0.024 0.000 0.697 231 E CB -0.414 29.363 29.700 0.128 0.000 1.146 231 E HN 0.174 nan 8.360 nan 0.000 0.363 232 Q N 0.368 120.123 119.800 -0.074 0.000 3.035 232 Q HA 0.310 4.649 4.340 -0.000 0.000 0.354 232 Q C 0.785 176.728 176.000 -0.095 0.000 1.247 232 Q CA 0.605 56.359 55.803 -0.081 0.000 1.068 232 Q CB 0.862 29.552 28.738 -0.081 0.000 1.424 232 Q HN 0.648 nan 8.270 nan 0.000 0.486 233 G N -0.282 108.442 108.800 -0.126 0.000 2.601 233 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.233 233 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.233 233 G C 0.676 175.353 174.900 -0.371 0.000 1.896 233 G CA -0.068 44.916 45.100 -0.192 0.000 1.514 233 G HN 0.275 nan 8.290 nan 0.000 0.512 234 V N 2.329 122.018 119.914 -0.375 0.000 2.343 234 V HA -0.039 4.081 4.120 -0.000 0.000 0.247 234 V C 2.668 178.459 176.094 -0.505 0.000 1.051 234 V CA 3.153 65.091 62.300 -0.603 0.000 1.036 234 V CB -0.458 31.230 31.823 -0.226 0.000 0.654 234 V HN 0.568 nan 8.190 nan 0.000 0.451 235 R N -0.151 120.224 120.500 -0.208 0.000 2.355 235 R HA -0.146 4.194 4.340 -0.000 0.000 0.219 235 R C 2.024 178.272 176.300 -0.086 0.000 1.107 235 R CA 1.148 57.205 56.100 -0.073 0.000 1.021 235 R CB -0.176 30.130 30.300 0.010 0.000 0.852 235 R HN 0.519 nan 8.270 nan 0.000 0.475 236 K N -0.454 119.814 120.400 -0.221 0.000 2.442 236 K HA -0.101 4.219 4.320 -0.000 0.000 0.198 236 K C 0.882 177.485 176.600 0.006 0.000 1.042 236 K CA 0.578 56.782 56.287 -0.138 0.000 0.958 236 K CB 0.064 32.446 32.500 -0.197 0.000 0.766 236 K HN 0.173 nan 8.250 nan 0.000 0.474 237 F N 0.667 120.612 119.950 -0.008 0.000 2.661 237 F HA 0.032 4.559 4.527 -0.000 0.000 0.298 237 F C 1.656 177.441 175.800 -0.025 0.000 1.137 237 F CA 0.396 58.388 58.000 -0.013 0.000 1.454 237 F CB -0.408 38.594 39.000 0.003 0.000 1.103 237 F HN -0.069 nan 8.300 nan 0.000 0.577 238 L N -0.685 120.618 121.223 0.133 0.000 2.492 238 L HA -0.021 4.319 4.340 -0.000 0.000 0.223 238 L C 1.566 178.321 176.870 -0.191 0.000 1.132 238 L CA 0.417 55.282 54.840 0.041 0.000 0.850 238 L CB -0.466 41.620 42.059 0.045 0.000 0.966 238 L HN 0.056 nan 8.230 nan 0.000 0.454 239 N N 0.879 119.473 118.700 -0.177 0.000 2.370 239 N HA 0.032 4.772 4.740 -0.000 0.000 0.198 239 N C 0.306 175.755 175.510 -0.101 0.000 1.156 239 N CA -0.082 52.765 53.050 -0.339 0.000 0.839 239 N CB 0.258 38.675 38.487 -0.117 0.000 0.989 239 N HN 0.125 nan 8.380 nan 0.000 0.468 240 L N 0.900 122.116 121.223 -0.012 0.000 2.615 240 L HA 0.069 4.409 4.340 -0.000 0.000 0.271 240 L C 1.314 178.250 176.870 0.109 0.000 1.183 240 L CA 0.817 55.671 54.840 0.024 0.000 0.933 240 L CB -0.292 41.742 42.059 -0.041 0.000 1.199 240 L HN 0.380 nan 8.230 nan 0.000 0.487 241 G N 3.194 112.010 108.800 0.026 0.000 2.153 241 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.252 241 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.252 241 G C 0.707 175.588 174.900 -0.032 0.000 0.994 241 G CA 0.780 45.868 45.100 -0.020 0.000 0.698 241 G HN 0.831 nan 8.290 nan 0.000 0.521 242 H N -0.793 118.177 119.070 -0.166 0.000 2.595 242 H HA 0.222 4.778 4.556 -0.000 0.000 0.265 242 H C 2.621 177.826 175.328 -0.204 0.000 0.953 242 H CA 1.332 57.189 56.048 -0.319 0.000 1.197 242 H CB 0.133 29.607 29.762 -0.480 0.000 1.438 242 H HN 0.346 nan 8.280 nan 0.000 0.531 243 T N 0.149 114.747 114.554 0.074 0.000 2.708 243 T HA -0.168 4.181 4.350 -0.000 0.000 0.266 243 T C 1.765 176.537 174.700 0.119 0.000 1.037 243 T CA 1.434 63.608 62.100 0.124 0.000 1.146 243 T CB -0.343 68.601 68.868 0.128 0.000 0.865 243 T HN 0.345 nan 8.240 nan 0.000 0.435 244 F N 1.019 120.868 119.950 -0.167 0.000 2.270 244 F HA 0.192 4.719 4.527 -0.000 0.000 0.295 244 F C 2.436 178.078 175.800 -0.263 0.000 1.087 244 F CA 0.549 58.345 58.000 -0.340 0.000 1.365 244 F CB -0.273 38.277 39.000 -0.750 0.000 1.056 244 F HN 0.202 nan 8.300 nan 0.000 0.506 245 G N -0.536 108.142 108.800 -0.204 0.000 2.446 245 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.217 245 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.217 245 G C 1.281 176.061 174.900 -0.200 0.000 1.168 245 G CA 1.299 46.218 45.100 -0.302 0.000 0.771 245 G HN 0.509 nan 8.290 nan 0.000 0.551 246 H N 0.220 119.217 119.070 -0.122 0.000 2.456 246 H HA 0.084 4.640 4.556 -0.000 0.000 0.296 246 H C 2.871 177.973 175.328 -0.376 0.000 1.079 246 H CA 0.413 56.418 56.048 -0.072 0.000 1.322 246 H CB 0.210 30.040 29.762 0.113 0.000 1.388 246 H HN 0.458 nan 8.280 nan 0.000 0.538 247 A N 0.314 122.890 122.820 -0.407 0.000 1.929 247 A HA -0.078 4.241 4.320 -0.000 0.000 0.216 247 A C 2.459 179.738 177.584 -0.509 0.000 1.176 247 A CA 1.064 52.638 52.037 -0.770 0.000 0.628 247 A CB -0.347 18.403 19.000 -0.417 0.000 0.816 247 A HN 0.200 nan 8.150 nan 0.000 0.444 248 V N 0.026 119.635 119.914 -0.510 0.000 2.591 248 V HA -0.172 3.947 4.120 -0.000 0.000 0.249 248 V C 2.425 178.387 176.094 -0.219 0.000 1.053 248 V CA 1.909 63.911 62.300 -0.497 0.000 1.068 248 V CB -0.528 30.909 31.823 -0.644 0.000 0.689 248 V HN 0.799 nan 8.190 nan 0.000 0.462 249 E N -0.157 119.963 120.200 -0.133 0.000 2.028 249 E HA -0.262 4.088 4.350 -0.000 0.000 0.191 249 E C 2.272 178.896 176.600 0.040 0.000 0.988 249 E CA 1.524 57.925 56.400 0.001 0.000 0.799 249 E CB -0.315 29.457 29.700 0.120 0.000 0.755 249 E HN 0.577 nan 8.360 nan 0.000 0.447 250 Y N -0.076 120.164 120.300 -0.100 0.000 2.114 250 Y HA -0.268 4.282 4.550 -0.000 0.000 0.284 250 Y C 2.197 178.132 175.900 0.059 0.000 1.143 250 Y CA 2.126 60.215 58.100 -0.018 0.000 1.135 250 Y CB -0.643 37.837 38.460 0.034 0.000 0.980 250 Y HN 0.237 nan 8.280 nan 0.000 0.499 251 Y N -0.565 119.698 120.300 -0.061 0.000 2.314 251 Y HA -0.124 4.426 4.550 -0.000 0.000 0.293 251 Y C 1.806 177.768 175.900 0.103 0.000 1.129 251 Y CA 2.025 60.125 58.100 0.000 0.000 1.201 251 Y CB -0.487 38.019 38.460 0.076 0.000 0.999 251 Y HN 0.209 nan 8.280 nan 0.000 0.541 252 H N 0.248 119.167 119.070 -0.251 0.000 2.586 252 H HA 0.220 4.776 4.556 -0.000 0.000 0.273 252 H C 0.125 175.321 175.328 -0.219 0.000 0.997 252 H CA 0.088 55.958 56.048 -0.297 0.000 1.177 252 H CB 0.143 29.791 29.762 -0.190 0.000 1.471 252 H HN -0.110 nan 8.280 nan 0.000 0.538 253 K N 0.593 120.948 120.400 -0.074 0.000 3.451 253 K HA -0.178 4.142 4.320 -0.000 0.000 0.273 253 K C -0.078 176.484 176.600 -0.063 0.000 0.944 253 K CA 0.661 56.895 56.287 -0.089 0.000 0.734 253 K CB -2.476 29.942 32.500 -0.137 0.000 1.437 253 K HN 0.625 nan 8.250 nan 0.000 0.454 254 I N -3.634 116.915 120.570 -0.036 0.000 2.797 254 I HA 0.600 4.770 4.170 -0.000 0.000 0.307 254 I C -2.233 173.846 176.117 -0.063 0.000 1.033 254 I CA -3.110 58.151 61.300 -0.065 0.000 1.071 254 I CB 1.926 39.910 38.000 -0.028 0.000 1.255 254 I HN -0.223 nan 8.210 nan 0.000 0.445 255 P HA -0.045 nan 4.420 nan 0.000 0.267 255 P C 0.051 177.411 177.300 0.099 0.000 1.195 255 P CA 0.411 63.466 63.100 -0.077 0.000 0.773 255 P CB 0.304 31.815 31.700 -0.316 0.000 0.837 256 H N 2.179 121.277 119.070 0.046 0.000 2.289 256 H HA -0.150 4.406 4.556 -0.000 0.000 0.296 256 H C 2.099 177.455 175.328 0.048 0.000 1.091 256 H CA 2.693 58.770 56.048 0.048 0.000 1.274 256 H CB -0.826 28.973 29.762 0.061 0.000 1.364 256 H HN 0.532 nan 8.280 nan 0.000 0.490 257 G N -0.954 107.879 108.800 0.055 0.000 2.446 257 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.217 257 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.217 257 G C 1.356 176.271 174.900 0.024 0.000 1.168 257 G CA 1.237 46.333 45.100 -0.007 0.000 0.771 257 G HN 0.507 nan 8.290 nan 0.000 0.551 258 H N 1.019 120.112 119.070 0.039 0.000 2.319 258 H HA 0.005 4.561 4.556 -0.000 0.000 0.297 258 H C 2.853 178.134 175.328 -0.079 0.000 1.097 258 H CA 1.616 57.710 56.048 0.076 0.000 1.285 258 H CB -0.540 29.274 29.762 0.086 0.000 1.368 258 H HN 0.409 nan 8.280 nan 0.000 0.495 259 A N 0.286 123.111 122.820 0.009 0.000 1.877 259 A HA -0.128 4.192 4.320 -0.000 0.000 0.216 259 A C 2.699 180.136 177.584 -0.244 0.000 1.186 259 A CA 1.662 53.619 52.037 -0.133 0.000 0.620 259 A CB -0.892 18.027 19.000 -0.134 0.000 0.822 259 A HN 0.253 nan 8.150 nan 0.000 0.443 260 V N 0.086 119.782 119.914 -0.363 0.000 2.287 260 V HA -0.330 3.790 4.120 -0.000 0.000 0.248 260 V C 2.726 178.648 176.094 -0.287 0.000 1.053 260 V CA 2.151 64.177 62.300 -0.456 0.000 1.027 260 V CB -0.653 30.797 31.823 -0.620 0.000 0.646 260 V HN 0.511 nan 8.190 nan 0.000 0.447 261 M N -0.528 118.907 119.600 -0.276 0.000 2.073 261 M HA -0.167 4.313 4.480 -0.000 0.000 0.258 261 M C 2.256 178.444 176.300 -0.187 0.000 1.070 261 M CA 1.834 56.953 55.300 -0.301 0.000 1.103 261 M CB -1.214 31.017 32.600 -0.615 0.000 1.321 261 M HN 0.289 nan 8.290 nan 0.000 0.405 262 V N -0.027 119.802 119.914 -0.141 0.000 2.490 262 V HA -0.193 3.927 4.120 -0.000 0.000 0.250 262 V C 2.568 178.702 176.094 0.067 0.000 1.061 262 V CA 1.926 64.214 62.300 -0.020 0.000 1.064 262 V CB -1.680 30.129 31.823 -0.024 0.000 0.670 262 V HN 0.618 nan 8.190 nan 0.000 0.461 263 G N -0.160 108.618 108.800 -0.037 0.000 2.421 263 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.217 263 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.217 263 G C 1.443 176.338 174.900 -0.008 0.000 1.143 263 G CA 0.530 45.645 45.100 0.025 0.000 0.784 263 G HN 0.365 nan 8.290 nan 0.000 0.541 264 I N 1.526 122.019 120.570 -0.128 0.000 2.133 264 I HA -0.078 4.092 4.170 -0.000 0.000 0.238 264 I C 2.857 178.771 176.117 -0.338 0.000 1.074 264 I CA 0.823 61.948 61.300 -0.291 0.000 1.342 264 I CB -1.110 36.742 38.000 -0.247 0.000 1.053 264 I HN 0.151 nan 8.210 nan 0.000 0.404 265 I N -0.090 120.428 120.570 -0.087 0.000 2.264 265 I HA -0.363 3.806 4.170 -0.000 0.000 0.248 265 I C 2.699 178.851 176.117 0.059 0.000 1.111 265 I CA 1.739 63.084 61.300 0.074 0.000 1.382 265 I CB -0.779 37.281 38.000 0.099 0.000 1.060 265 I HN 0.240 nan 8.210 nan 0.000 0.418 266 Y N 1.847 122.099 120.300 -0.079 0.000 2.293 266 Y HA -0.258 4.292 4.550 -0.000 0.000 0.291 266 Y C 2.823 178.591 175.900 -0.220 0.000 1.137 266 Y CA 1.602 59.610 58.100 -0.154 0.000 1.202 266 Y CB -0.192 38.137 38.460 -0.219 0.000 0.990 266 Y HN 0.151 nan 8.280 nan 0.000 0.537 267 Q N 0.176 119.928 119.800 -0.079 0.000 2.079 267 Q HA -0.196 4.143 4.340 -0.000 0.000 0.200 267 Q C 2.005 177.802 176.000 -0.338 0.000 0.974 267 Q CA 1.893 57.561 55.803 -0.224 0.000 0.840 267 Q CB -0.704 27.854 28.738 -0.300 0.000 0.898 267 Q HN 0.651 nan 8.270 nan 0.000 0.430 268 F N 0.796 120.547 119.950 -0.332 0.000 2.102 268 F HA -0.177 4.350 4.527 -0.000 0.000 0.298 268 F C 2.484 178.142 175.800 -0.237 0.000 1.105 268 F CA 0.657 58.365 58.000 -0.486 0.000 1.239 268 F CB -0.138 38.539 39.000 -0.538 0.000 0.991 268 F HN 0.021 nan 8.300 nan 0.000 0.474 269 I N -0.240 120.302 120.570 -0.046 0.000 2.236 269 I HA -0.324 3.846 4.170 -0.000 0.000 0.249 269 I C 2.172 178.143 176.117 -0.242 0.000 1.102 269 I CA 1.263 62.484 61.300 -0.131 0.000 1.365 269 I CB -0.639 37.204 38.000 -0.262 0.000 1.051 269 I HN 0.027 nan 8.210 nan 0.000 0.420 270 V N 0.840 120.526 119.914 -0.381 0.000 2.407 270 V HA -0.151 3.969 4.120 -0.000 0.000 0.245 270 V C 2.652 178.504 176.094 -0.404 0.000 1.041 270 V CA 1.584 63.646 62.300 -0.398 0.000 1.040 270 V CB -0.792 30.779 31.823 -0.420 0.000 0.671 270 V HN 0.473 nan 8.190 nan 0.000 0.455 271 A N 0.282 122.900 122.820 -0.336 0.000 2.131 271 A HA -0.197 4.122 4.320 -0.000 0.000 0.220 271 A C 2.012 179.428 177.584 -0.281 0.000 1.158 271 A CA 1.824 53.589 52.037 -0.453 0.000 0.665 271 A CB -0.498 18.601 19.000 0.165 0.000 0.795 271 A HN 0.609 nan 8.150 nan 0.000 0.460 272 N N 0.105 118.748 118.700 -0.094 0.000 2.245 272 N HA 0.036 4.775 4.740 -0.000 0.000 0.185 272 N C 2.055 177.476 175.510 -0.147 0.000 1.036 272 N CA 1.384 54.393 53.050 -0.069 0.000 0.857 272 N CB -0.836 37.655 38.487 0.007 0.000 1.015 272 N HN 0.338 nan 8.380 nan 0.000 0.436 273 A N 1.656 124.373 122.820 -0.173 0.000 1.940 273 A HA -0.174 4.146 4.320 -0.000 0.000 0.221 273 A C 2.129 179.610 177.584 -0.171 0.000 1.190 273 A CA 1.464 53.401 52.037 -0.166 0.000 0.647 273 A CB -0.708 18.176 19.000 -0.194 0.000 0.821 273 A HN 0.225 nan 8.150 nan 0.000 0.457 274 L N -2.988 118.058 121.223 -0.295 0.000 2.428 274 L HA 0.145 4.484 4.340 -0.000 0.000 0.190 274 L C 2.292 179.118 176.870 -0.074 0.000 1.255 274 L CA 0.515 55.221 54.840 -0.223 0.000 0.848 274 L CB -0.947 40.910 42.059 -0.336 0.000 1.088 274 L HN 0.358 nan 8.230 nan 0.000 0.500 275 F N -0.172 119.778 119.950 0.001 0.000 2.365 275 F HA -0.024 4.503 4.527 -0.000 0.000 0.300 275 F C 0.882 176.666 175.800 -0.025 0.000 1.090 275 F CA 0.073 58.068 58.000 -0.007 0.000 1.408 275 F CB -1.169 37.832 39.000 0.000 0.000 1.060 275 F HN 0.329 nan 8.300 nan 0.000 0.534 276 D N 0.809 121.222 120.400 0.022 0.000 2.718 276 D HA -0.194 4.446 4.640 -0.000 0.000 0.242 276 D C 0.662 176.941 176.300 -0.036 0.000 1.123 276 D CA 0.722 54.710 54.000 -0.020 0.000 0.690 276 D CB -1.003 39.793 40.800 -0.006 0.000 1.059 276 D HN 0.321 nan 8.370 nan 0.000 0.429 277 S N 0.400 116.045 115.700 -0.092 0.000 2.603 277 S HA -0.053 4.417 4.470 -0.000 0.000 0.229 277 S C 0.577 174.950 174.600 -0.380 0.000 0.972 277 S CA 0.503 58.570 58.200 -0.222 0.000 0.935 277 S CB 0.056 63.054 63.200 -0.337 0.000 0.769 277 S HN 0.491 nan 8.310 nan 0.000 0.536 278 K N 2.268 122.503 120.400 -0.276 0.000 4.856 278 K HA -0.164 4.156 4.320 -0.000 0.000 0.306 278 K C -0.910 175.548 176.600 -0.238 0.000 0.895 278 K CA 0.343 56.521 56.287 -0.182 0.000 0.963 278 K CB -1.136 31.302 32.500 -0.103 0.000 1.737 278 K HN 0.508 nan 8.250 nan 0.000 0.424 279 H N 1.184 120.241 119.070 -0.022 0.000 2.525 279 H HA 0.061 4.617 4.556 -0.000 0.000 0.339 279 H C 0.209 175.519 175.328 -0.030 0.000 1.109 279 H CA -0.509 55.497 56.048 -0.069 0.000 1.352 279 H CB 1.180 30.857 29.762 -0.142 0.000 1.461 279 H HN 0.275 nan 8.280 nan 0.000 0.533 280 D N 3.739 124.191 120.400 0.087 0.000 2.455 280 D HA -0.012 4.628 4.640 -0.000 0.000 0.234 280 D C 1.228 177.593 176.300 0.109 0.000 1.224 280 D CA -0.213 53.812 54.000 0.042 0.000 0.999 280 D CB -0.046 40.713 40.800 -0.068 0.000 1.072 280 D HN 0.343 nan 8.370 nan 0.000 0.514 281 I N 1.300 121.945 120.570 0.124 0.000 2.252 281 I HA -0.203 3.966 4.170 -0.000 0.000 0.245 281 I C 2.214 178.316 176.117 -0.024 0.000 1.102 281 I CA 0.698 62.056 61.300 0.096 0.000 1.385 281 I CB -1.128 36.925 38.000 0.088 0.000 1.064 281 I HN 0.225 nan 8.210 nan 0.000 0.414 282 S N -0.267 115.434 115.700 0.002 0.000 2.419 282 S HA -0.243 4.227 4.470 -0.000 0.000 0.235 282 S C 1.944 176.533 174.600 -0.018 0.000 1.019 282 S CA 1.461 59.652 58.200 -0.016 0.000 0.982 282 S CB -0.551 62.682 63.200 0.055 0.000 0.789 282 S HN 0.603 nan 8.310 nan 0.000 0.490 283 H N 0.141 119.140 119.070 -0.118 0.000 2.276 283 H HA -0.062 4.494 4.556 -0.000 0.000 0.301 283 H C 1.774 176.991 175.328 -0.185 0.000 1.073 283 H CA 1.789 57.715 56.048 -0.205 0.000 1.311 283 H CB -0.473 29.055 29.762 -0.390 0.000 1.379 283 H HN 0.367 nan 8.280 nan 0.000 0.494 284 Y N 0.425 120.690 120.300 -0.059 0.000 2.145 284 Y HA -0.181 4.369 4.550 -0.000 0.000 0.286 284 Y C 2.715 178.569 175.900 -0.076 0.000 1.145 284 Y CA 1.206 59.289 58.100 -0.028 0.000 1.148 284 Y CB -0.413 38.142 38.460 0.159 0.000 0.981 284 Y HN 0.268 nan 8.280 nan 0.000 0.507 285 I N 0.080 120.649 120.570 -0.001 0.000 2.118 285 I HA -0.414 3.755 4.170 -0.000 0.000 0.241 285 I C 2.457 178.536 176.117 -0.063 0.000 1.070 285 I CA 2.148 63.391 61.300 -0.096 0.000 1.327 285 I CB -1.093 36.750 38.000 -0.261 0.000 1.034 285 I HN 0.331 nan 8.210 nan 0.000 0.405 286 Q N 0.426 120.184 119.800 -0.069 0.000 2.020 286 Q HA -0.284 4.056 4.340 -0.000 0.000 0.202 286 Q C 2.440 178.421 176.000 -0.032 0.000 0.982 286 Q CA 1.949 57.726 55.803 -0.043 0.000 0.838 286 Q CB -0.588 28.128 28.738 -0.038 0.000 0.899 286 Q HN 0.525 nan 8.270 nan 0.000 0.423 287 Y N 0.402 120.569 120.300 -0.223 0.000 2.228 287 Y HA -0.285 4.264 4.550 -0.000 0.000 0.285 287 Y C 1.586 177.434 175.900 -0.088 0.000 1.178 287 Y CA 1.470 59.455 58.100 -0.192 0.000 1.202 287 Y CB 0.070 38.341 38.460 -0.314 0.000 0.974 287 Y HN 0.177 nan 8.280 nan 0.000 0.527 288 L N -0.587 120.511 121.223 -0.208 0.000 2.072 288 L HA -0.200 4.140 4.340 -0.000 0.000 0.205 288 L C 2.370 179.218 176.870 -0.036 0.000 1.079 288 L CA 1.028 55.748 54.840 -0.201 0.000 0.752 288 L CB -0.497 41.448 42.059 -0.191 0.000 0.906 288 L HN 0.287 nan 8.230 nan 0.000 0.436 289 I N -0.177 120.373 120.570 -0.032 0.000 2.127 289 I HA -0.360 3.810 4.170 -0.000 0.000 0.241 289 I C 2.740 178.846 176.117 -0.018 0.000 1.075 289 I CA 1.523 62.824 61.300 0.001 0.000 1.334 289 I CB -0.288 37.714 38.000 0.004 0.000 1.040 289 I HN 0.377 nan 8.210 nan 0.000 0.405 290 Q N 0.448 120.220 119.800 -0.047 0.000 2.045 290 Q HA -0.237 4.103 4.340 -0.000 0.000 0.206 290 Q C 2.360 178.317 176.000 -0.072 0.000 0.991 290 Q CA 1.513 57.289 55.803 -0.046 0.000 0.851 290 Q CB -0.352 28.375 28.738 -0.018 0.000 0.911 290 Q HN 0.529 nan 8.270 nan 0.000 0.418 291 L N -0.682 120.444 121.223 -0.163 0.000 2.189 291 L HA -0.171 4.169 4.340 -0.000 0.000 0.214 291 L C 1.363 178.207 176.870 -0.043 0.000 1.097 291 L CA 1.204 55.944 54.840 -0.166 0.000 0.764 291 L CB -0.516 41.375 42.059 -0.280 0.000 0.900 291 L HN 0.672 nan 8.230 nan 0.000 0.436 292 G N -2.423 106.360 108.800 -0.028 0.000 2.154 292 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.186 292 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.186 292 G C -0.070 174.777 174.900 -0.088 0.000 1.000 292 G CA -0.630 44.482 45.100 0.020 0.000 0.664 292 G HN 0.185 nan 8.290 nan 0.000 0.513 293 Y N 0.699 120.934 120.300 -0.109 0.000 2.511 293 Y HA 0.295 4.845 4.550 -0.000 0.000 0.332 293 Y C -0.134 175.746 175.900 -0.032 0.000 1.177 293 Y CA -0.587 57.431 58.100 -0.137 0.000 1.422 293 Y CB 0.487 38.828 38.460 -0.199 0.000 1.271 293 Y HN 0.056 nan 8.280 nan 0.000 0.550 294 P HA -0.218 nan 4.420 nan 0.000 0.202 294 P C -0.068 177.303 177.300 0.117 0.000 1.149 294 P CA 1.539 64.715 63.100 0.125 0.000 0.931 294 P CB 0.151 31.944 31.700 0.155 0.000 0.762 295 L N -2.200 119.101 121.223 0.130 0.000 4.447 295 L HA -0.163 4.176 4.340 -0.000 0.000 0.400 295 L C 0.929 177.860 176.870 0.100 0.000 1.110 295 L CA 1.071 55.977 54.840 0.110 0.000 1.010 295 L CB -2.674 39.443 42.059 0.097 0.000 2.154 295 L HN 0.252 nan 8.230 nan 0.000 0.685 296 D N -0.434 120.022 120.400 0.092 0.000 2.213 296 D HA -0.099 4.540 4.640 -0.000 0.000 0.205 296 D C 1.798 178.147 176.300 0.082 0.000 0.961 296 D CA 1.168 55.213 54.000 0.075 0.000 0.853 296 D CB -0.124 40.709 40.800 0.055 0.000 0.967 296 D HN 0.532 nan 8.370 nan 0.000 0.496 297 M N 0.115 119.776 119.600 0.101 0.000 2.562 297 M HA 0.101 4.581 4.480 -0.000 0.000 0.257 297 M C 1.884 178.288 176.300 0.172 0.000 1.099 297 M CA 0.414 55.799 55.300 0.142 0.000 1.099 297 M CB -0.882 31.847 32.600 0.215 0.000 1.427 297 M HN -0.079 nan 8.290 nan 0.000 0.489 298 I N 1.644 122.299 120.570 0.142 0.000 2.236 298 I HA -0.297 3.873 4.170 -0.000 0.000 0.249 298 I C 1.664 177.879 176.117 0.164 0.000 1.102 298 I CA 1.927 63.320 61.300 0.155 0.000 1.365 298 I CB -0.807 37.286 38.000 0.155 0.000 1.051 298 I HN 0.384 nan 8.210 nan 0.000 0.420 299 T N -0.425 114.212 114.554 0.138 0.000 2.985 299 T HA -0.067 4.283 4.350 -0.000 0.000 0.266 299 T C 1.141 175.922 174.700 0.135 0.000 1.076 299 T CA 0.774 62.948 62.100 0.123 0.000 1.135 299 T CB -0.131 68.791 68.868 0.091 0.000 0.890 299 T HN 0.284 nan 8.240 nan 0.000 0.480 300 D N 0.990 121.479 120.400 0.149 0.000 2.328 300 D HA 0.209 4.849 4.640 -0.000 0.000 0.226 300 D C 0.789 177.278 176.300 0.315 0.000 1.066 300 D CA -0.013 54.077 54.000 0.149 0.000 0.861 300 D CB -0.061 40.759 40.800 0.033 0.000 0.912 300 D HN 0.374 nan 8.370 nan 0.000 0.521 301 L N 0.448 121.881 121.223 0.351 0.000 2.435 301 L HA 0.051 4.390 4.340 -0.000 0.000 0.258 301 L C 0.514 177.594 176.870 0.350 0.000 1.257 301 L CA 0.576 55.637 54.840 0.368 0.000 0.823 301 L CB 0.256 42.459 42.059 0.240 0.000 1.111 301 L HN -0.116 nan 8.230 nan 0.000 0.543 302 D N -1.200 119.405 120.400 0.342 0.000 2.300 302 D HA 0.049 4.689 4.640 -0.000 0.000 0.218 302 D C 0.112 176.599 176.300 0.312 0.000 1.326 302 D CA -0.442 53.739 54.000 0.302 0.000 0.942 302 D CB 0.385 41.365 40.800 0.300 0.000 1.495 302 D HN 0.401 nan 8.370 nan 0.000 0.545 303 F N 2.649 122.697 119.950 0.165 0.000 2.091 303 F HA -0.244 4.283 4.527 -0.000 0.000 0.299 303 F C 1.915 177.815 175.800 0.168 0.000 1.103 303 F CA 1.544 59.649 58.000 0.175 0.000 1.228 303 F CB 0.501 39.585 39.000 0.140 0.000 0.984 303 F HN 0.394 nan 8.300 nan 0.000 0.477 304 E N 0.518 120.698 120.200 -0.034 0.000 2.048 304 E HA -0.244 4.106 4.350 -0.000 0.000 0.202 304 E C 2.076 178.581 176.600 -0.158 0.000 1.021 304 E CA 2.885 59.167 56.400 -0.196 0.000 0.825 304 E CB -0.745 28.892 29.700 -0.106 0.000 0.756 304 E HN 0.499 nan 8.360 nan 0.000 0.454 305 T N 0.190 114.657 114.554 -0.145 0.000 2.777 305 T HA -0.083 4.267 4.350 -0.000 0.000 0.266 305 T C 2.125 176.731 174.700 -0.157 0.000 1.040 305 T CA 1.324 63.274 62.100 -0.251 0.000 1.141 305 T CB -0.420 68.082 68.868 -0.609 0.000 0.868 305 T HN 0.095 nan 8.240 nan 0.000 0.444 306 L N -0.256 120.927 121.223 -0.066 0.000 2.046 306 L HA -0.084 4.256 4.340 -0.000 0.000 0.208 306 L C 2.526 179.553 176.870 0.261 0.000 1.077 306 L CA 1.771 56.655 54.840 0.073 0.000 0.747 306 L CB -0.797 41.345 42.059 0.138 0.000 0.896 306 L HN 0.309 nan 8.230 nan 0.000 0.432 307 Y N 0.517 120.873 120.300 0.094 0.000 2.097 307 Y HA -0.349 4.201 4.550 -0.000 0.000 0.282 307 Y C 2.901 178.829 175.900 0.046 0.000 1.152 307 Y CA 1.027 59.173 58.100 0.077 0.000 1.136 307 Y CB 0.087 38.351 38.460 -0.326 0.000 0.975 307 Y HN 0.206 nan 8.280 nan 0.000 0.498 308 Q N -0.272 119.558 119.800 0.050 0.000 2.181 308 Q HA -0.249 4.091 4.340 -0.000 0.000 0.205 308 Q C 1.886 177.928 176.000 0.070 0.000 0.980 308 Q CA 1.701 57.471 55.803 -0.056 0.000 0.862 308 Q CB -0.700 27.962 28.738 -0.127 0.000 0.905 308 Q HN 0.713 nan 8.270 nan 0.000 0.429 309 Y N 0.133 120.447 120.300 0.023 0.000 2.220 309 Y HA -0.044 4.505 4.550 -0.000 0.000 0.291 309 Y C 1.891 177.829 175.900 0.064 0.000 1.129 309 Y CA 1.138 59.257 58.100 0.032 0.000 1.161 309 Y CB -0.196 38.295 38.460 0.051 0.000 0.997 309 Y HN 0.019 nan 8.280 nan 0.000 0.522 310 M N -0.446 119.426 119.600 0.453 0.000 2.706 310 M HA -0.129 4.351 4.480 -0.000 0.000 0.251 310 M C 0.792 177.229 176.300 0.227 0.000 1.070 310 M CA 0.722 56.242 55.300 0.367 0.000 1.073 310 M CB -0.127 32.682 32.600 0.348 0.000 1.449 310 M HN 0.227 nan 8.290 nan 0.000 0.531 311 L N -1.531 119.784 121.223 0.154 0.000 2.554 311 L HA 0.101 4.441 4.340 -0.000 0.000 0.225 311 L C 2.140 179.004 176.870 -0.011 0.000 1.104 311 L CA 1.126 56.013 54.840 0.079 0.000 0.866 311 L CB -0.242 41.848 42.059 0.052 0.000 1.047 311 L HN 0.068 nan 8.230 nan 0.000 0.468 312 S N -1.460 114.189 115.700 -0.085 0.000 2.478 312 S HA -0.026 4.444 4.470 -0.000 0.000 0.222 312 S C 0.676 175.211 174.600 -0.108 0.000 1.008 312 S CA -0.202 57.895 58.200 -0.172 0.000 0.928 312 S CB -0.219 62.745 63.200 -0.393 0.000 0.781 312 S HN 0.431 nan 8.310 nan 0.000 0.518 313 D N 2.111 122.503 120.400 -0.014 0.000 2.703 313 D HA -0.091 4.548 4.640 -0.000 0.000 0.225 313 D C 0.480 176.797 176.300 0.028 0.000 1.119 313 D CA 0.694 54.733 54.000 0.064 0.000 0.845 313 D CB 0.517 41.395 40.800 0.131 0.000 1.182 313 D HN 0.192 nan 8.370 nan 0.000 0.493 314 K N 2.499 122.922 120.400 0.038 0.000 2.525 314 K HA -0.040 4.279 4.320 -0.000 0.000 0.192 314 K C 1.313 177.932 176.600 0.032 0.000 1.029 314 K CA 0.455 56.754 56.287 0.020 0.000 1.029 314 K CB 0.402 32.912 32.500 0.016 0.000 0.814 314 K HN 0.319 nan 8.250 nan 0.000 0.503 315 K N 0.245 120.670 120.400 0.042 0.000 2.354 315 K HA 0.069 4.389 4.320 -0.000 0.000 0.194 315 K C 0.153 176.765 176.600 0.020 0.000 1.038 315 K CA -0.068 56.239 56.287 0.034 0.000 1.052 315 K CB 0.366 32.894 32.500 0.045 0.000 0.861 315 K HN 0.123 nan 8.250 nan 0.000 0.535 316 N N 2.254 120.963 118.700 0.015 0.000 2.347 316 N HA 0.029 4.768 4.740 -0.000 0.000 0.253 316 N C -0.171 175.335 175.510 -0.006 0.000 1.274 316 N CA 0.174 53.220 53.050 -0.005 0.000 0.941 316 N CB 0.442 38.924 38.487 -0.009 0.000 1.200 316 N HN 0.098 nan 8.380 nan 0.000 0.514 317 D N -2.179 118.213 120.400 -0.014 0.000 2.781 317 D HA 0.209 4.849 4.640 -0.000 0.000 0.295 317 D C 0.464 176.764 176.300 0.001 0.000 1.143 317 D CA -0.732 53.267 54.000 -0.001 0.000 1.076 317 D CB 0.637 41.443 40.800 0.009 0.000 1.444 317 D HN 0.383 nan 8.370 nan 0.000 0.567 318 K N -0.879 119.528 120.400 0.013 0.000 2.280 318 K HA -0.148 4.171 4.320 -0.000 0.000 0.202 318 K C 1.451 178.074 176.600 0.038 0.000 1.047 318 K CA 1.422 57.721 56.287 0.021 0.000 0.942 318 K CB -0.033 32.480 32.500 0.022 0.000 0.739 318 K HN 0.381 nan 8.250 nan 0.000 0.457 319 Q N -0.272 119.557 119.800 0.049 0.000 2.297 319 Q HA 0.089 4.429 4.340 -0.000 0.000 0.204 319 Q C 0.852 176.901 176.000 0.082 0.000 0.962 319 Q CA 0.803 56.673 55.803 0.111 0.000 0.879 319 Q CB 0.337 29.180 28.738 0.175 0.000 0.947 319 Q HN 0.482 nan 8.270 nan 0.000 0.462 320 G N -0.071 108.685 108.800 -0.073 0.000 2.270 320 G HA2 -0.093 3.867 3.960 -0.000 0.000 0.268 320 G HA3 -0.093 3.867 3.960 -0.000 0.000 0.268 320 G C -0.861 173.873 174.900 -0.276 0.000 1.312 320 G CA -0.601 44.404 45.100 -0.159 0.000 1.050 320 G HN -0.009 nan 8.290 nan 0.000 0.474 321 V N 1.264 121.025 119.914 -0.255 0.000 2.999 321 V HA 0.435 4.555 4.120 -0.000 0.000 0.307 321 V C 0.521 176.494 176.094 -0.202 0.000 1.084 321 V CA 0.395 62.614 62.300 -0.135 0.000 1.155 321 V CB 1.283 33.088 31.823 -0.029 0.000 0.975 321 V HN 0.710 nan 8.190 nan 0.000 0.490 322 Q N 3.156 122.927 119.800 -0.048 0.000 2.289 322 Q HA 0.606 4.946 4.340 -0.000 0.000 0.270 322 Q C -1.265 174.770 176.000 0.059 0.000 1.038 322 Q CA -0.457 55.348 55.803 0.004 0.000 0.812 322 Q CB 2.690 31.431 28.738 0.006 0.000 1.300 322 Q HN 0.697 nan 8.270 nan 0.000 0.427 323 M N 1.153 120.804 119.600 0.086 0.000 2.690 323 M HA 0.523 5.003 4.480 -0.000 0.000 0.302 323 M C -0.616 175.755 176.300 0.118 0.000 1.234 323 M CA -1.071 54.288 55.300 0.099 0.000 0.853 323 M CB 2.521 35.179 32.600 0.096 0.000 1.748 323 M HN 0.200 nan 8.290 nan 0.000 0.469 324 V N 3.601 123.580 119.914 0.109 0.000 2.318 324 V HA 0.406 4.526 4.120 -0.000 0.000 0.271 324 V C -0.443 175.696 176.094 0.074 0.000 1.030 324 V CA -0.431 61.950 62.300 0.135 0.000 0.844 324 V CB 0.392 32.304 31.823 0.149 0.000 1.015 324 V HN 0.591 nan 8.190 nan 0.000 0.460 325 L N 4.832 126.130 121.223 0.126 0.000 2.331 325 L HA 0.661 5.001 4.340 -0.000 0.000 0.275 325 L C -0.122 176.828 176.870 0.134 0.000 1.022 325 L CA -0.458 54.463 54.840 0.135 0.000 0.812 325 L CB 1.790 44.052 42.059 0.337 0.000 1.257 325 L HN 0.559 nan 8.230 nan 0.000 0.435 326 M N 2.257 121.912 119.600 0.092 0.000 2.205 326 M HA 0.339 4.819 4.480 -0.000 0.000 0.344 326 M C 0.458 176.974 176.300 0.361 0.000 1.085 326 M CA -0.238 55.109 55.300 0.078 0.000 1.001 326 M CB 1.426 33.976 32.600 -0.083 0.000 1.626 326 M HN 0.624 nan 8.290 nan 0.000 0.442 327 R N 2.415 123.068 120.500 0.254 0.000 2.254 327 R HA 0.243 4.583 4.340 -0.000 0.000 0.193 327 R C -0.315 176.069 176.300 0.140 0.000 0.929 327 R CA 0.528 56.809 56.100 0.302 0.000 1.038 327 R CB 0.754 31.015 30.300 -0.064 0.000 1.009 327 R HN 0.811 nan 8.270 nan 0.000 0.512 328 Q N -0.657 119.179 119.800 0.061 0.000 2.646 328 Q HA 0.059 4.399 4.340 -0.000 0.000 0.260 328 Q C -1.614 174.392 176.000 0.011 0.000 0.975 328 Q CA -0.634 55.191 55.803 0.038 0.000 0.936 328 Q CB 0.648 29.419 28.738 0.054 0.000 1.591 328 Q HN 0.027 nan 8.270 nan 0.000 0.412 329 F N 2.604 122.606 119.950 0.086 0.000 2.477 329 F HA 0.205 4.732 4.527 -0.000 0.000 0.392 329 F C 1.618 177.423 175.800 0.008 0.000 1.028 329 F CA 2.365 60.394 58.000 0.050 0.000 1.069 329 F CB 0.194 39.224 39.000 0.051 0.000 0.970 329 F HN 0.844 nan 8.300 nan 0.000 0.540 330 G N 2.181 111.036 108.800 0.092 0.000 2.168 330 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.197 330 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.197 330 G C -0.324 174.557 174.900 -0.031 0.000 0.997 330 G CA -0.091 45.028 45.100 0.032 0.000 0.658 330 G HN 0.653 nan 8.290 nan 0.000 0.513 331 D N 0.463 120.822 120.400 -0.067 0.000 2.552 331 D HA 0.479 5.119 4.640 -0.000 0.000 0.285 331 D C -0.012 176.192 176.300 -0.159 0.000 1.206 331 D CA -0.443 53.498 54.000 -0.098 0.000 0.826 331 D CB -0.112 40.649 40.800 -0.065 0.000 1.179 331 D HN 0.174 nan 8.370 nan 0.000 0.508 332 I N 1.053 121.447 120.570 -0.295 0.000 2.396 332 I HA 0.424 4.594 4.170 -0.000 0.000 0.292 332 I C 0.043 176.017 176.117 -0.239 0.000 0.999 332 I CA -0.706 60.361 61.300 -0.389 0.000 1.310 332 I CB 1.769 39.263 38.000 -0.844 0.000 1.404 332 I HN -0.003 nan 8.210 nan 0.000 0.496 333 V N 5.553 125.447 119.914 -0.032 0.000 2.925 333 V HA 0.604 4.723 4.120 -0.000 0.000 0.311 333 V C -0.468 175.755 176.094 0.215 0.000 1.104 333 V CA -0.885 61.479 62.300 0.106 0.000 0.954 333 V CB 1.998 33.781 31.823 -0.067 0.000 1.022 333 V HN 0.369 nan 8.190 nan 0.000 0.427 334 V N 3.905 123.956 119.914 0.230 0.000 2.513 334 V HA 0.830 4.950 4.120 -0.000 0.000 0.299 334 V C -0.253 175.926 176.094 0.142 0.000 1.035 334 V CA -0.219 62.193 62.300 0.186 0.000 0.889 334 V CB 1.235 33.145 31.823 0.144 0.000 0.988 334 V HN 1.163 nan 8.190 nan 0.000 0.440 335 Q N 2.006 121.896 119.800 0.150 0.000 2.829 335 Q HA 0.361 4.701 4.340 -0.000 0.000 0.296 335 Q C -1.069 175.040 176.000 0.182 0.000 0.893 335 Q CA -0.984 54.912 55.803 0.156 0.000 0.772 335 Q CB 1.075 29.915 28.738 0.170 0.000 1.489 335 Q HN 0.682 nan 8.270 nan 0.000 0.420 336 H N 0.244 119.363 119.070 0.081 0.000 2.929 336 H HA 0.246 4.802 4.556 -0.000 0.000 0.358 336 H C -0.782 174.585 175.328 0.065 0.000 1.111 336 H CA 0.939 57.029 56.048 0.070 0.000 1.409 336 H CB 0.848 30.647 29.762 0.062 0.000 1.373 336 H HN 0.409 nan 8.280 nan 0.000 0.610 337 V N 5.499 125.745 119.914 0.553 0.000 2.939 337 V HA 0.003 4.122 4.120 -0.000 0.000 0.320 337 V C -0.609 175.646 176.094 0.268 0.000 1.101 337 V CA -0.595 61.877 62.300 0.287 0.000 1.345 337 V CB 0.183 32.068 31.823 0.104 0.000 1.079 337 V HN 0.885 nan 8.190 nan 0.000 0.549 338 D N 0.628 121.273 120.400 0.408 0.000 2.505 338 D HA -0.177 4.463 4.640 -0.000 0.000 0.229 338 D C 1.576 177.938 176.300 0.104 0.000 1.215 338 D CA 0.492 54.679 54.000 0.312 0.000 0.880 338 D CB 0.754 41.643 40.800 0.148 0.000 1.228 338 D HN 0.607 nan 8.370 nan 0.000 0.497 339 Q N 0.393 120.245 119.800 0.087 0.000 2.344 339 Q HA -0.278 4.061 4.340 -0.000 0.000 0.212 339 Q C 1.790 177.825 176.000 0.059 0.000 0.991 339 Q CA 0.872 56.711 55.803 0.060 0.000 0.897 339 Q CB -0.401 28.512 28.738 0.291 0.000 0.915 339 Q HN 0.656 nan 8.270 nan 0.000 0.438 340 L N 1.785 123.033 121.223 0.041 0.000 1.934 340 L HA -0.219 4.121 4.340 -0.000 0.000 0.227 340 L C 1.948 178.769 176.870 -0.082 0.000 1.084 340 L CA 2.890 57.737 54.840 0.012 0.000 0.790 340 L CB -1.507 40.593 42.059 0.068 0.000 0.896 340 L HN 0.326 nan 8.230 nan 0.000 0.437 341 T N 1.646 116.163 114.554 -0.062 0.000 2.653 341 T HA -0.254 4.096 4.350 -0.000 0.000 0.268 341 T C 2.008 176.526 174.700 -0.303 0.000 1.035 341 T CA 2.043 64.057 62.100 -0.143 0.000 1.154 341 T CB -0.571 68.207 68.868 -0.151 0.000 0.862 341 T HN 0.425 nan 8.240 nan 0.000 0.441 342 L N 0.839 121.861 121.223 -0.334 0.000 2.450 342 L HA -0.086 4.254 4.340 -0.000 0.000 0.224 342 L C 2.685 178.689 176.870 -1.444 0.000 1.149 342 L CA 0.992 55.448 54.840 -0.640 0.000 0.816 342 L CB -0.567 41.242 42.059 -0.417 0.000 0.932 342 L HN 0.275 nan 8.230 nan 0.000 0.449 343 Q N -0.669 118.631 119.800 -0.833 0.000 2.259 343 Q HA -0.079 4.260 4.340 -0.000 0.000 0.201 343 Q C 1.870 177.533 176.000 -0.561 0.000 0.938 343 Q CA 1.203 56.617 55.803 -0.647 0.000 0.872 343 Q CB 0.202 28.754 28.738 -0.310 0.000 0.971 343 Q HN 0.462 nan 8.270 nan 0.000 0.494 344 H N -1.127 117.813 119.070 -0.216 0.000 2.586 344 H HA 0.452 5.008 4.556 -0.000 0.000 0.273 344 H C 0.806 176.005 175.328 -0.216 0.000 0.997 344 H CA 0.686 56.638 56.048 -0.160 0.000 1.177 344 H CB 0.700 30.394 29.762 -0.114 0.000 1.471 344 H HN 0.388 nan 8.280 nan 0.000 0.538 345 A N -0.019 122.643 122.820 -0.264 0.000 2.115 345 A HA -0.004 4.316 4.320 -0.000 0.000 0.211 345 A C 2.244 179.653 177.584 -0.292 0.000 1.169 345 A CA 0.376 52.175 52.037 -0.398 0.000 0.787 345 A CB -0.564 17.968 19.000 -0.781 0.000 0.858 345 A HN 0.427 nan 8.150 nan 0.000 0.474 346 C N -0.156 119.016 119.300 -0.212 0.000 2.539 346 C HA 0.177 4.637 4.460 -0.000 0.000 0.268 346 C C 2.073 177.077 174.990 0.024 0.000 1.395 346 C CA 1.036 60.027 59.018 -0.045 0.000 1.757 346 C CB -1.027 26.636 27.740 -0.127 0.000 1.851 346 C HN 0.656 nan 8.230 nan 0.000 0.545 347 E N -0.724 119.461 120.200 -0.026 0.000 2.251 347 E HA -0.109 4.241 4.350 -0.000 0.000 0.194 347 E C 2.076 178.663 176.600 -0.022 0.000 0.964 347 E CA 0.245 56.653 56.400 0.013 0.000 0.868 347 E CB -0.261 29.460 29.700 0.034 0.000 0.828 347 E HN 0.618 nan 8.360 nan 0.000 0.481 348 Q N 0.689 120.460 119.800 -0.048 0.000 2.297 348 Q HA -0.084 4.256 4.340 -0.000 0.000 0.204 348 Q C 1.947 177.901 176.000 -0.077 0.000 0.962 348 Q CA 0.549 56.298 55.803 -0.090 0.000 0.879 348 Q CB 0.242 28.941 28.738 -0.065 0.000 0.947 348 Q HN 0.186 nan 8.270 nan 0.000 0.462 349 L N 0.416 121.676 121.223 0.061 0.000 2.492 349 L HA 0.023 4.363 4.340 -0.000 0.000 0.223 349 L C 1.666 178.678 176.870 0.237 0.000 1.132 349 L CA 1.167 56.171 54.840 0.274 0.000 0.850 349 L CB 0.117 42.328 42.059 0.252 0.000 0.966 349 L HN -0.090 nan 8.230 nan 0.000 0.454 350 K N -1.405 119.044 120.400 0.081 0.000 2.314 350 K HA 0.075 4.395 4.320 -0.000 0.000 0.198 350 K C 1.752 178.329 176.600 -0.039 0.000 1.045 350 K CA 0.857 57.187 56.287 0.070 0.000 0.988 350 K CB -0.089 32.452 32.500 0.069 0.000 0.783 350 K HN 0.172 nan 8.250 nan 0.000 0.484 351 T N 0.689 115.102 114.554 -0.235 0.000 2.996 351 T HA -0.108 4.241 4.350 -0.000 0.000 0.271 351 T C -0.078 174.359 174.700 -0.438 0.000 1.126 351 T CA 1.241 63.096 62.100 -0.409 0.000 1.103 351 T CB -0.226 68.250 68.868 -0.653 0.000 0.870 351 T HN 0.052 nan 8.240 nan 0.000 0.528 352 Y N 0.000 120.335 120.300 0.058 0.000 2.660 352 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 352 Y CA 0.000 58.136 58.100 0.060 0.000 1.940 352 Y CB 0.000 38.500 38.460 0.067 0.000 1.050 352 Y HN 0.000 nan 8.280 nan 0.000 0.758