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 3i6d_1_A DATA FIRST_RESID 5 DATA SEQUENCE KKHVVIIGGG ITGLAAAFYM EKEIKEKNLP LELTLVEASP RVGGKIQTVK DATA SEQUENCE KDGYIIERGP DSFLERKKSA PQLVKDLGLE HLLVNNATGQ SYVLVNRTLH DATA SEQUENCE PMPKXXXXXX XXXXXXXXXX XXXXXSGKAR AAMDFILPAS KTKDDQSLGE DATA SEQUENCE FFRRRVGDEV VENLIEPLLS GIYAGDIDKL SLMSTFPQFY XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XQFQTLSTGL QTLVEEIEKQ LKLTKVYKGT DATA SEQUENCE KVTKLSHSGS CYSLELDNGV TLDADSVIVT APHKAAAGML SELPAISHLK DATA SEQUENCE NMHSTSVANV ALGFPEGSVQ MEHEGTGFVI SRNSDFAITA CTWTNKKWPH DATA SEQUENCE AAPEGKTLLR AYVGKAGDES IVDLSDNDII NIVLEDLKKV MNINGEPEMT DATA SEQUENCE CVTRWHESMP QYHVGHKQRI KELREALASA YPGVYMTGAS FEGVGIPDCI DATA SEQUENCE DQGKAAVSDA LTYLFS 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 5 K HA 0.000 nan 4.320 nan 0.000 0.191 5 K C 0.000 176.672 176.600 0.121 0.000 0.988 5 K CA 0.000 56.344 56.287 0.096 0.000 0.838 5 K CB 0.000 32.535 32.500 0.059 0.000 1.064 6 K N 2.222 122.726 120.400 0.173 0.000 2.355 6 K HA 0.051 4.390 4.320 0.032 0.000 0.270 6 K C -0.263 176.456 176.600 0.200 0.000 1.003 6 K CA -0.150 56.233 56.287 0.160 0.000 0.957 6 K CB 0.582 33.151 32.500 0.115 0.000 0.939 6 K HN 0.456 nan 8.250 nan 0.000 0.482 7 H N 0.973 120.075 119.070 0.054 0.000 2.495 7 H HA 0.396 4.971 4.556 0.032 0.000 0.348 7 H C -1.457 173.893 175.328 0.036 0.000 1.113 7 H CA -1.056 55.017 56.048 0.041 0.000 1.195 7 H CB 1.304 31.083 29.762 0.028 0.000 1.521 7 H HN 0.173 nan 8.280 nan 0.000 0.509 8 V N 6.182 126.038 119.914 -0.096 0.000 2.525 8 V HA 0.139 4.278 4.120 0.032 0.000 0.299 8 V C -0.504 175.414 176.094 -0.295 0.000 1.034 8 V CA -0.767 61.419 62.300 -0.191 0.000 0.863 8 V CB 1.647 33.451 31.823 -0.032 0.000 0.999 8 V HN 0.533 nan 8.190 nan 0.000 0.423 9 V N 7.240 126.949 119.914 -0.343 0.000 2.398 9 V HA 0.608 4.747 4.120 0.032 0.000 0.286 9 V C -0.299 175.715 176.094 -0.133 0.000 1.026 9 V CA -0.264 61.890 62.300 -0.243 0.000 0.868 9 V CB 1.431 33.098 31.823 -0.261 0.000 0.982 9 V HN 0.741 nan 8.190 nan 0.000 0.443 10 I N 7.749 128.267 120.570 -0.087 0.000 2.315 10 I HA 0.416 4.605 4.170 0.032 0.000 0.291 10 I C -0.203 175.887 176.117 -0.046 0.000 1.006 10 I CA -0.291 60.978 61.300 -0.052 0.000 1.265 10 I CB 1.439 39.425 38.000 -0.023 0.000 1.387 10 I HN 0.477 nan 8.210 nan 0.000 0.475 11 I N 5.995 126.541 120.570 -0.040 0.000 2.321 11 I HA 0.595 4.784 4.170 0.032 0.000 0.291 11 I C 0.468 176.584 176.117 -0.001 0.000 0.998 11 I CA -0.249 61.036 61.300 -0.025 0.000 1.227 11 I CB 1.282 39.262 38.000 -0.034 0.000 1.368 11 I HN 0.807 nan 8.210 nan 0.000 0.466 12 G N 3.596 112.402 108.800 0.011 0.000 3.055 12 G HA2 0.035 4.014 3.960 0.032 0.000 0.685 12 G HA3 0.035 4.014 3.960 0.032 0.000 0.685 12 G C 0.010 174.928 174.900 0.029 0.000 1.212 12 G CA -0.446 44.669 45.100 0.026 0.000 0.822 12 G HN 0.950 nan 8.290 nan 0.000 0.610 13 G N 0.431 109.252 108.800 0.036 0.000 3.575 13 G HA2 0.641 4.620 3.960 0.032 0.000 0.273 13 G HA3 0.641 4.620 3.960 0.032 0.000 0.273 13 G C 1.035 175.958 174.900 0.038 0.000 1.053 13 G CA 1.041 46.163 45.100 0.036 0.000 0.803 13 G HN 1.361 nan 8.290 nan 0.000 0.528 14 G N 0.479 109.305 108.800 0.043 0.000 2.486 14 G HA2 0.259 4.238 3.960 0.032 0.000 0.272 14 G HA3 0.259 4.238 3.960 0.032 0.000 0.272 14 G C 1.087 176.008 174.900 0.034 0.000 1.426 14 G CA -0.142 44.984 45.100 0.044 0.000 1.058 14 G HN 0.091 nan 8.290 nan 0.000 0.531 15 I N -0.505 120.083 120.570 0.030 0.000 2.315 15 I HA -0.088 4.101 4.170 0.032 0.000 0.248 15 I C 2.832 178.967 176.117 0.031 0.000 1.117 15 I CA 1.988 63.298 61.300 0.018 0.000 1.404 15 I CB -0.380 37.625 38.000 0.008 0.000 1.071 15 I HN 0.427 nan 8.210 nan 0.000 0.419 16 T N 0.148 114.729 114.554 0.044 0.000 2.708 16 T HA -0.085 4.284 4.350 0.032 0.000 0.266 16 T C 1.779 176.510 174.700 0.051 0.000 1.037 16 T CA 1.438 63.570 62.100 0.054 0.000 1.146 16 T CB -0.976 67.930 68.868 0.063 0.000 0.865 16 T HN 0.555 nan 8.240 nan 0.000 0.435 17 G N 0.982 109.808 108.800 0.043 0.000 2.408 17 G HA2 -0.059 3.920 3.960 0.032 0.000 0.217 17 G HA3 -0.059 3.920 3.960 0.032 0.000 0.217 17 G C 1.523 176.448 174.900 0.042 0.000 1.150 17 G CA 0.293 45.415 45.100 0.036 0.000 0.776 17 G HN 0.414 nan 8.290 nan 0.000 0.542 18 L N 0.664 121.909 121.223 0.037 0.000 2.017 18 L HA -0.043 4.316 4.340 0.032 0.000 0.208 18 L C 3.431 180.329 176.870 0.047 0.000 1.073 18 L CA 1.039 55.898 54.840 0.032 0.000 0.745 18 L CB -0.451 41.610 42.059 0.004 0.000 0.894 18 L HN 0.295 nan 8.230 nan 0.000 0.432 19 A N 0.127 122.978 122.820 0.052 0.000 1.883 19 A HA -0.234 4.105 4.320 0.032 0.000 0.217 19 A C 2.528 180.226 177.584 0.190 0.000 1.186 19 A CA 1.993 54.096 52.037 0.110 0.000 0.624 19 A CB -0.817 18.272 19.000 0.150 0.000 0.822 19 A HN 0.421 nan 8.150 nan 0.000 0.444 20 A N -0.251 122.651 122.820 0.137 0.000 1.877 20 A HA 0.143 4.482 4.320 0.032 0.000 0.216 20 A C 2.533 180.179 177.584 0.103 0.000 1.186 20 A CA 2.253 54.363 52.037 0.122 0.000 0.620 20 A CB -1.088 17.948 19.000 0.060 0.000 0.822 20 A HN 1.120 nan 8.150 nan 0.000 0.443 21 A N -1.305 121.562 122.820 0.078 0.000 1.902 21 A HA -0.059 4.280 4.320 0.032 0.000 0.217 21 A C 2.068 179.686 177.584 0.056 0.000 1.181 21 A CA 1.677 53.750 52.037 0.060 0.000 0.623 21 A CB -0.717 18.316 19.000 0.056 0.000 0.818 21 A HN 0.657 nan 8.150 nan 0.000 0.443 22 F N -0.772 119.108 119.950 -0.116 0.000 2.113 22 F HA -0.139 4.407 4.527 0.033 0.000 0.297 22 F C 1.890 177.547 175.800 -0.238 0.000 1.103 22 F CA 1.535 59.395 58.000 -0.234 0.000 1.248 22 F CB -0.303 38.445 39.000 -0.420 0.000 0.999 22 F HN 0.293 nan 8.300 nan 0.000 0.475 23 Y N -0.963 119.353 120.300 0.026 0.000 2.546 23 Y HA -0.035 4.533 4.550 0.031 0.000 0.287 23 Y C 2.082 177.933 175.900 -0.081 0.000 1.158 23 Y CA 0.766 58.824 58.100 -0.071 0.000 1.307 23 Y CB -0.659 37.825 38.460 0.039 0.000 1.036 23 Y HN 0.203 nan 8.280 nan 0.000 0.532 24 M N 0.109 119.742 119.600 0.054 0.000 2.160 24 M HA -0.078 4.421 4.480 0.032 0.000 0.264 24 M C 1.817 178.111 176.300 -0.011 0.000 1.073 24 M CA 1.776 57.099 55.300 0.038 0.000 1.142 24 M CB -0.129 32.494 32.600 0.039 0.000 1.358 24 M HN 0.106 nan 8.290 nan 0.000 0.422 25 E N -0.109 120.045 120.200 -0.076 0.000 2.077 25 E HA -0.255 4.114 4.350 0.032 0.000 0.193 25 E C 1.950 178.468 176.600 -0.135 0.000 0.989 25 E CA 1.345 57.683 56.400 -0.102 0.000 0.800 25 E CB -0.246 29.367 29.700 -0.144 0.000 0.746 25 E HN 0.509 nan 8.360 nan 0.000 0.452 26 K N 0.745 121.009 120.400 -0.227 0.000 2.211 26 K HA -0.197 4.142 4.320 0.032 0.000 0.204 26 K C 1.798 178.358 176.600 -0.067 0.000 1.047 26 K CA 1.187 57.362 56.287 -0.186 0.000 0.935 26 K CB 0.225 32.596 32.500 -0.214 0.000 0.728 26 K HN -0.012 nan 8.250 nan 0.000 0.452 27 E N 0.329 120.511 120.200 -0.029 0.000 2.140 27 E HA -0.034 4.335 4.350 0.032 0.000 0.191 27 E C 1.968 178.565 176.600 -0.005 0.000 0.973 27 E CA 0.658 57.059 56.400 0.000 0.000 0.829 27 E CB 0.035 29.756 29.700 0.034 0.000 0.781 27 E HN 0.401 nan 8.360 nan 0.000 0.466 28 I N 0.898 121.468 120.570 -0.002 0.000 2.567 28 I HA -0.192 3.997 4.170 0.032 0.000 0.257 28 I C 0.975 177.075 176.117 -0.027 0.000 1.184 28 I CA 1.066 62.365 61.300 -0.001 0.000 1.451 28 I CB -0.022 37.989 38.000 0.018 0.000 1.089 28 I HN -0.195 nan 8.210 nan 0.000 0.441 29 K N 1.215 121.594 120.400 -0.036 0.000 3.045 29 K HA 0.299 4.638 4.320 0.032 0.000 0.214 29 K C -0.011 176.567 176.600 -0.037 0.000 1.213 29 K CA 0.093 56.357 56.287 -0.038 0.000 1.111 29 K CB 0.581 33.056 32.500 -0.042 0.000 1.454 29 K HN 0.156 nan 8.250 nan 0.000 0.498 30 E N -0.129 120.050 120.200 -0.036 0.000 2.321 30 E HA 0.023 4.392 4.350 0.032 0.000 0.158 30 E C -0.033 176.544 176.600 -0.037 0.000 0.877 30 E CA 0.233 56.614 56.400 -0.031 0.000 1.344 30 E CB 0.558 30.244 29.700 -0.024 0.000 1.630 30 E HN -0.003 nan 8.360 nan 0.000 0.669 31 K N 0.026 120.394 120.400 -0.052 0.000 2.608 31 K HA 0.171 4.510 4.320 0.032 0.000 0.214 31 K C -0.270 176.269 176.600 -0.100 0.000 1.469 31 K CA 0.040 56.283 56.287 -0.074 0.000 1.012 31 K CB 0.515 32.965 32.500 -0.084 0.000 1.211 31 K HN 0.008 nan 8.250 nan 0.000 0.627 32 N N 1.653 120.305 118.700 -0.080 0.000 2.667 32 N HA -0.193 4.566 4.740 0.032 0.000 0.263 32 N C -1.257 174.176 175.510 -0.128 0.000 1.038 32 N CA 0.434 53.436 53.050 -0.080 0.000 0.749 32 N CB -0.967 37.482 38.487 -0.065 0.000 0.892 32 N HN 0.209 nan 8.380 nan 0.000 0.546 33 L N 0.844 121.972 121.223 -0.158 0.000 2.371 33 L HA 0.400 4.759 4.340 0.032 0.000 0.272 33 L C -1.167 175.625 176.870 -0.130 0.000 1.124 33 L CA -1.680 52.983 54.840 -0.295 0.000 0.816 33 L CB 0.629 42.475 42.059 -0.354 0.000 1.129 33 L HN 0.185 nan 8.230 nan 0.000 0.448 34 P HA 0.117 nan 4.420 nan 0.000 0.226 34 P C -0.726 176.682 177.300 0.180 0.000 1.783 34 P CA 0.289 63.409 63.100 0.035 0.000 0.980 34 P CB 0.227 31.948 31.700 0.034 0.000 1.967 35 L N 0.581 121.912 121.223 0.179 0.000 2.362 35 L HA 0.507 4.866 4.340 0.032 0.000 0.271 35 L C -0.223 176.732 176.870 0.142 0.000 1.002 35 L CA -0.760 54.221 54.840 0.234 0.000 0.818 35 L CB 2.723 44.965 42.059 0.306 0.000 1.298 35 L HN 0.039 nan 8.230 nan 0.000 0.420 36 E N 5.621 125.913 120.200 0.152 0.000 2.244 36 E HA 0.409 4.778 4.350 0.032 0.000 0.260 36 E C -1.756 174.979 176.600 0.225 0.000 0.884 36 E CA -0.666 55.801 56.400 0.111 0.000 0.777 36 E CB 1.772 31.486 29.700 0.023 0.000 1.197 36 E HN 0.617 nan 8.360 nan 0.000 0.416 37 L N 2.210 123.529 121.223 0.159 0.000 2.342 37 L HA 0.819 5.178 4.340 0.032 0.000 0.271 37 L C -0.711 176.227 176.870 0.113 0.000 1.008 37 L CA -0.475 54.464 54.840 0.165 0.000 0.818 37 L CB 2.068 44.175 42.059 0.080 0.000 1.296 37 L HN 0.547 nan 8.230 nan 0.000 0.427 38 T N 1.211 115.823 114.554 0.096 0.000 2.903 38 T HA 0.603 4.972 4.350 0.032 0.000 0.299 38 T C -1.067 173.576 174.700 -0.095 0.000 1.093 38 T CA -0.725 61.353 62.100 -0.037 0.000 1.002 38 T CB 1.927 70.729 68.868 -0.109 0.000 1.127 38 T HN 0.874 nan 8.240 nan 0.000 0.488 39 L N 2.898 124.047 121.223 -0.124 0.000 2.356 39 L HA 0.790 5.149 4.340 0.032 0.000 0.277 39 L C -1.361 175.465 176.870 -0.073 0.000 0.996 39 L CA -0.979 53.817 54.840 -0.073 0.000 0.822 39 L CB 1.578 43.627 42.059 -0.016 0.000 1.256 39 L HN 0.674 nan 8.230 nan 0.000 0.413 40 V N 3.577 123.465 119.914 -0.044 0.000 2.427 40 V HA 0.485 4.624 4.120 0.032 0.000 0.286 40 V C -0.432 175.684 176.094 0.037 0.000 1.034 40 V CA -0.489 61.819 62.300 0.013 0.000 0.893 40 V CB 1.526 33.354 31.823 0.008 0.000 0.982 40 V HN 0.735 nan 8.190 nan 0.000 0.452 41 E N 3.480 123.719 120.200 0.065 0.000 2.224 41 E HA 0.701 5.070 4.350 0.032 0.000 0.265 41 E C 0.412 177.044 176.600 0.054 0.000 0.878 41 E CA -0.043 56.389 56.400 0.054 0.000 0.759 41 E CB 1.889 31.623 29.700 0.055 0.000 1.164 41 E HN 0.593 nan 8.360 nan 0.000 0.414 42 A N 3.512 126.356 122.820 0.040 0.000 1.855 42 A HA 0.008 4.347 4.320 0.032 0.000 0.215 42 A C 1.145 178.746 177.584 0.028 0.000 1.191 42 A CA 1.386 53.443 52.037 0.033 0.000 0.613 42 A CB -0.823 18.192 19.000 0.025 0.000 0.829 42 A HN 0.716 nan 8.150 nan 0.000 0.442 43 S N -0.422 115.293 115.700 0.026 0.000 2.608 43 S HA 0.292 4.781 4.470 0.032 0.000 0.261 43 S C -1.356 173.257 174.600 0.023 0.000 1.314 43 S CA -0.461 57.750 58.200 0.019 0.000 0.992 43 S CB 0.677 63.887 63.200 0.018 0.000 0.935 43 S HN 0.271 nan 8.310 nan 0.000 0.564 44 P HA -0.006 nan 4.420 nan 0.000 0.233 44 P C 0.223 177.535 177.300 0.020 0.000 1.167 44 P CA 0.738 63.848 63.100 0.016 0.000 0.770 44 P CB -0.044 31.660 31.700 0.007 0.000 0.837 45 R N -0.322 120.191 120.500 0.022 0.000 2.939 45 R HA 0.641 5.001 4.340 0.032 0.000 0.254 45 R C -0.426 175.894 176.300 0.033 0.000 1.123 45 R CA -1.039 55.076 56.100 0.025 0.000 1.020 45 R CB 1.362 31.674 30.300 0.020 0.000 1.206 45 R HN -0.186 nan 8.270 nan 0.000 0.491 46 V N -2.933 117.001 119.914 0.033 0.000 2.881 46 V HA 0.848 4.987 4.120 0.032 0.000 0.316 46 V C 0.613 176.728 176.094 0.035 0.000 1.070 46 V CA 0.235 62.556 62.300 0.035 0.000 0.976 46 V CB 0.997 32.840 31.823 0.033 0.000 1.038 46 V HN 1.128 nan 8.190 nan 0.000 0.446 47 G N 0.184 109.007 108.800 0.038 0.000 2.316 47 G HA2 0.162 4.141 3.960 0.032 0.000 0.203 47 G HA3 0.162 4.141 3.960 0.032 0.000 0.203 47 G C 1.568 176.506 174.900 0.064 0.000 0.999 47 G CA 0.689 45.814 45.100 0.042 0.000 0.649 47 G HN 2.616 nan 8.290 nan 0.000 0.489 48 G N 1.431 110.276 108.800 0.075 0.000 2.685 48 G HA2 -0.406 3.573 3.960 0.032 0.000 0.329 48 G HA3 -0.406 3.573 3.960 0.032 0.000 0.329 48 G C 1.288 176.293 174.900 0.174 0.000 1.271 48 G CA 1.649 46.812 45.100 0.106 0.000 1.003 48 G HN 1.093 nan 8.290 nan 0.000 0.549 49 K N 0.435 120.943 120.400 0.180 0.000 2.211 49 K HA -0.000 4.339 4.320 0.032 0.000 0.204 49 K C 1.606 178.325 176.600 0.198 0.000 1.047 49 K CA 0.878 57.299 56.287 0.224 0.000 0.935 49 K CB -0.234 32.263 32.500 -0.004 0.000 0.728 49 K HN 0.578 nan 8.250 nan 0.000 0.452 50 I N 2.920 123.561 120.570 0.118 0.000 2.389 50 I HA -0.036 4.153 4.170 0.032 0.000 0.295 50 I C -0.227 175.959 176.117 0.115 0.000 1.117 50 I CA 0.323 61.678 61.300 0.091 0.000 1.317 50 I CB 0.065 38.093 38.000 0.048 0.000 1.431 50 I HN 0.016 nan 8.210 nan 0.000 0.521 51 Q N 4.812 124.700 119.800 0.147 0.000 2.274 51 Q HA 0.427 4.786 4.340 0.032 0.000 0.268 51 Q C -0.995 175.056 176.000 0.085 0.000 1.015 51 Q CA -0.637 55.236 55.803 0.117 0.000 0.775 51 Q CB 2.650 31.473 28.738 0.143 0.000 1.256 51 Q HN 0.433 nan 8.270 nan 0.000 0.442 52 T N 1.923 116.505 114.554 0.048 0.000 2.791 52 T HA 0.477 4.846 4.350 0.032 0.000 0.288 52 T C -0.444 174.272 174.700 0.027 0.000 0.999 52 T CA -0.580 61.539 62.100 0.032 0.000 0.952 52 T CB 1.025 69.903 68.868 0.017 0.000 0.938 52 T HN 0.443 nan 8.240 nan 0.000 0.444 53 V N 1.724 121.654 119.914 0.027 0.000 2.715 53 V HA 0.777 4.916 4.120 0.032 0.000 0.310 53 V C -0.931 175.186 176.094 0.038 0.000 1.054 53 V CA -1.035 61.279 62.300 0.024 0.000 0.928 53 V CB 1.770 33.600 31.823 0.012 0.000 1.007 53 V HN 0.725 nan 8.190 nan 0.000 0.437 54 K N 3.262 123.688 120.400 0.043 0.000 2.292 54 K HA 0.731 5.070 4.320 0.032 0.000 0.257 54 K C -1.205 175.436 176.600 0.068 0.000 0.940 54 K CA -0.699 55.629 56.287 0.067 0.000 0.811 54 K CB 2.294 34.827 32.500 0.055 0.000 1.120 54 K HN 0.749 nan 8.250 nan 0.000 0.428 55 K N 2.172 122.640 120.400 0.113 0.000 2.588 55 K HA 0.122 4.461 4.320 0.032 0.000 0.250 55 K C -1.490 175.188 176.600 0.131 0.000 0.972 55 K CA -0.756 55.595 56.287 0.106 0.000 0.821 55 K CB 1.729 34.292 32.500 0.106 0.000 1.249 55 K HN 0.649 nan 8.250 nan 0.000 0.442 56 D N 1.923 122.341 120.400 0.031 0.000 2.697 56 D HA -0.188 4.471 4.640 0.032 0.000 0.238 56 D C 0.733 176.909 176.300 -0.207 0.000 1.152 56 D CA 1.672 55.630 54.000 -0.070 0.000 0.666 56 D CB -1.173 39.586 40.800 -0.068 0.000 1.037 56 D HN 1.111 nan 8.370 nan 0.000 0.423 57 G N -1.165 107.574 108.800 -0.102 0.000 2.175 57 G HA2 -0.390 3.589 3.960 0.032 0.000 0.265 57 G HA3 -0.390 3.589 3.960 0.032 0.000 0.265 57 G C 0.167 175.018 174.900 -0.082 0.000 0.979 57 G CA 0.799 45.835 45.100 -0.107 0.000 0.663 57 G HN 0.491 nan 8.290 nan 0.000 0.533 58 Y N -0.725 119.589 120.300 0.024 0.000 2.374 58 Y HA 0.722 5.289 4.550 0.028 0.000 0.322 58 Y C 1.053 176.973 175.900 0.033 0.000 1.275 58 Y CA -1.212 56.904 58.100 0.028 0.000 1.307 58 Y CB 1.051 39.517 38.460 0.010 0.000 1.282 58 Y HN 0.076 nan 8.280 nan 0.000 0.509 59 I N 4.102 124.820 120.570 0.248 0.000 2.595 59 I HA 0.275 4.465 4.170 0.032 0.000 0.276 59 I C -1.145 175.019 176.117 0.078 0.000 1.109 59 I CA -0.360 61.024 61.300 0.139 0.000 1.084 59 I CB 0.748 38.842 38.000 0.156 0.000 1.206 59 I HN 0.410 nan 8.210 nan 0.000 0.486 60 I N 2.021 122.614 120.570 0.038 0.000 2.354 60 I HA 0.519 4.708 4.170 0.032 0.000 0.292 60 I C -0.211 175.905 176.117 -0.002 0.000 0.989 60 I CA -0.424 60.868 61.300 -0.012 0.000 1.188 60 I CB 1.478 39.443 38.000 -0.059 0.000 1.342 60 I HN 0.273 nan 8.210 nan 0.000 0.457 61 E N 7.079 127.271 120.200 -0.014 0.000 2.052 61 E HA 0.216 4.585 4.350 0.032 0.000 0.283 61 E C 0.488 177.117 176.600 0.048 0.000 1.071 61 E CA -0.214 56.188 56.400 0.003 0.000 0.851 61 E CB 1.164 30.835 29.700 -0.047 0.000 1.066 61 E HN 0.703 nan 8.360 nan 0.000 0.396 62 R N 1.343 121.908 120.500 0.110 0.000 2.120 62 R HA -0.098 4.261 4.340 0.032 0.000 0.234 62 R C 1.424 177.959 176.300 0.390 0.000 1.123 62 R CA 1.377 57.601 56.100 0.207 0.000 0.975 62 R CB 0.107 30.529 30.300 0.202 0.000 0.866 62 R HN 0.451 nan 8.270 nan 0.000 0.446 63 G N 0.665 109.646 108.800 0.301 0.000 2.665 63 G HA2 0.170 4.149 3.960 0.032 0.000 0.204 63 G HA3 0.170 4.149 3.960 0.032 0.000 0.204 63 G C -2.283 172.580 174.900 -0.062 0.000 1.883 63 G CA -0.535 44.587 45.100 0.036 0.000 0.734 63 G HN -0.003 nan 8.290 nan 0.000 0.811 64 P HA 0.102 nan 4.420 nan 0.000 0.258 64 P C -0.008 177.248 177.300 -0.073 0.000 1.187 64 P CA 0.369 63.418 63.100 -0.085 0.000 0.767 64 P CB 1.083 32.751 31.700 -0.053 0.000 0.770 65 D N 2.223 122.562 120.400 -0.102 0.000 2.165 65 D HA -0.059 4.600 4.640 0.032 0.000 0.213 65 D C 0.565 176.690 176.300 -0.291 0.000 0.983 65 D CA 1.312 55.206 54.000 -0.176 0.000 0.881 65 D CB 0.576 41.301 40.800 -0.126 0.000 1.028 65 D HN 0.436 nan 8.370 nan 0.000 0.457 66 S N -1.659 113.910 115.700 -0.218 0.000 2.973 66 S HA 0.607 5.096 4.470 0.032 0.000 0.317 66 S C -0.975 173.669 174.600 0.072 0.000 1.196 66 S CA -0.828 57.234 58.200 -0.231 0.000 0.894 66 S CB 1.558 64.585 63.200 -0.289 0.000 1.292 66 S HN 0.269 nan 8.310 nan 0.000 0.614 67 F N -0.816 119.266 119.950 0.219 0.000 2.619 67 F HA 0.784 5.332 4.527 0.034 0.000 0.308 67 F C -1.331 174.683 175.800 0.356 0.000 1.097 67 F CA -1.490 56.668 58.000 0.264 0.000 0.953 67 F CB 0.444 39.509 39.000 0.109 0.000 1.287 67 F HN 0.568 nan 8.300 nan 0.000 0.446 68 L N 3.059 124.605 121.223 0.538 0.000 2.513 68 L HA 0.152 4.512 4.340 0.032 0.000 0.272 68 L C 1.524 178.535 176.870 0.234 0.000 1.187 68 L CA 0.766 55.657 54.840 0.086 0.000 0.895 68 L CB 0.308 42.385 42.059 0.031 0.000 1.147 68 L HN 0.984 nan 8.230 nan 0.000 0.483 69 E N 3.863 124.105 120.200 0.070 0.000 2.152 69 E HA -0.211 4.158 4.350 0.032 0.000 0.192 69 E C 1.785 178.440 176.600 0.092 0.000 0.983 69 E CA 1.055 57.553 56.400 0.162 0.000 0.818 69 E CB 0.156 29.895 29.700 0.067 0.000 0.758 69 E HN 0.765 nan 8.360 nan 0.000 0.467 70 R N 0.771 121.279 120.500 0.013 0.000 2.293 70 R HA -0.047 4.312 4.340 0.032 0.000 0.219 70 R C 0.442 176.756 176.300 0.023 0.000 1.091 70 R CA 0.834 56.939 56.100 0.008 0.000 1.004 70 R CB -0.284 30.004 30.300 -0.019 0.000 0.865 70 R HN -0.143 nan 8.270 nan 0.000 0.469 71 K N 1.967 122.391 120.400 0.040 0.000 2.206 71 K HA 0.121 4.460 4.320 0.032 0.000 0.268 71 K C 0.162 176.764 176.600 0.003 0.000 1.111 71 K CA -0.234 56.067 56.287 0.023 0.000 0.955 71 K CB 1.015 33.533 32.500 0.030 0.000 1.406 71 K HN 0.134 nan 8.250 nan 0.000 0.427 72 K N 0.496 120.897 120.400 0.002 0.000 2.049 72 K HA -0.313 4.026 4.320 0.032 0.000 0.219 72 K C 2.055 178.635 176.600 -0.033 0.000 1.056 72 K CA 2.443 58.727 56.287 -0.005 0.000 0.946 72 K CB -0.381 32.116 32.500 -0.006 0.000 0.723 72 K HN 0.573 nan 8.250 nan 0.000 0.453 73 S N 0.996 116.668 115.700 -0.047 0.000 2.413 73 S HA -0.287 4.202 4.470 0.032 0.000 0.237 73 S C 2.139 176.679 174.600 -0.100 0.000 1.044 73 S CA 1.366 59.530 58.200 -0.059 0.000 1.024 73 S CB -0.577 62.590 63.200 -0.054 0.000 0.829 73 S HN 0.430 nan 8.310 nan 0.000 0.475 74 A N 3.500 126.196 122.820 -0.207 0.000 1.823 74 A HA 0.150 4.489 4.320 0.032 0.000 0.214 74 A C 0.549 177.892 177.584 -0.402 0.000 1.225 74 A CA 1.070 52.812 52.037 -0.492 0.000 0.604 74 A CB -1.597 16.827 19.000 -0.959 0.000 0.878 74 A HN 0.585 nan 8.150 nan 0.000 0.450 75 P HA -0.215 nan 4.420 nan 0.000 0.218 75 P C 1.386 178.701 177.300 0.024 0.000 1.148 75 P CA 1.865 64.989 63.100 0.040 0.000 0.822 75 P CB -0.100 31.703 31.700 0.171 0.000 0.784 76 Q N 0.508 120.313 119.800 0.009 0.000 2.045 76 Q HA -0.185 4.175 4.340 0.032 0.000 0.206 76 Q C 2.198 178.246 176.000 0.080 0.000 0.991 76 Q CA 1.478 57.309 55.803 0.046 0.000 0.851 76 Q CB -1.520 27.239 28.738 0.034 0.000 0.911 76 Q HN 0.133 nan 8.270 nan 0.000 0.418 77 L N -0.358 120.906 121.223 0.069 0.000 2.042 77 L HA -0.148 4.211 4.340 0.032 0.000 0.210 77 L C 2.188 179.034 176.870 -0.040 0.000 1.076 77 L CA 1.768 56.650 54.840 0.070 0.000 0.749 77 L CB -0.823 41.233 42.059 -0.005 0.000 0.893 77 L HN 0.218 nan 8.230 nan 0.000 0.432 78 V N -0.181 119.711 119.914 -0.038 0.000 2.324 78 V HA -0.377 3.762 4.120 0.032 0.000 0.250 78 V C 2.580 178.680 176.094 0.011 0.000 1.060 78 V CA 2.363 64.651 62.300 -0.019 0.000 1.042 78 V CB -0.868 30.985 31.823 0.049 0.000 0.650 78 V HN 0.497 nan 8.190 nan 0.000 0.450 79 K N -0.085 120.344 120.400 0.049 0.000 1.973 79 K HA -0.173 4.166 4.320 0.032 0.000 0.212 79 K C 2.000 178.651 176.600 0.086 0.000 1.047 79 K CA 1.740 58.071 56.287 0.073 0.000 0.937 79 K CB -0.502 32.046 32.500 0.081 0.000 0.721 79 K HN 0.450 nan 8.250 nan 0.000 0.440 80 D N 1.003 121.475 120.400 0.120 0.000 2.172 80 D HA -0.189 4.470 4.640 0.032 0.000 0.196 80 D C 1.652 178.046 176.300 0.155 0.000 0.999 80 D CA 1.116 55.234 54.000 0.197 0.000 0.856 80 D CB -0.101 40.917 40.800 0.364 0.000 0.934 80 D HN 0.032 nan 8.370 nan 0.000 0.453 81 L N 0.200 121.412 121.223 -0.019 0.000 2.599 81 L HA 0.197 4.556 4.340 0.032 0.000 0.230 81 L C 0.756 177.627 176.870 0.001 0.000 1.141 81 L CA 0.532 55.303 54.840 -0.115 0.000 0.877 81 L CB -0.502 41.369 42.059 -0.314 0.000 1.009 81 L HN 0.107 nan 8.230 nan 0.000 0.447 82 G N 0.616 109.450 108.800 0.056 0.000 2.342 82 G HA2 -0.260 3.719 3.960 0.032 0.000 0.267 82 G HA3 -0.260 3.719 3.960 0.032 0.000 0.267 82 G C 0.324 175.308 174.900 0.140 0.000 0.922 82 G CA 0.591 45.752 45.100 0.102 0.000 1.342 82 G HN 0.390 nan 8.290 nan 0.000 0.430 83 L N -0.407 120.872 121.223 0.094 0.000 3.759 83 L HA 0.183 4.542 4.340 0.032 0.000 0.355 83 L C 1.869 178.674 176.870 -0.108 0.000 1.271 83 L CA -0.164 54.642 54.840 -0.057 0.000 1.142 83 L CB 0.075 42.068 42.059 -0.110 0.000 1.474 83 L HN 0.446 nan 8.230 nan 0.000 0.624 84 E N 0.725 120.962 120.200 0.062 0.000 2.219 84 E HA -0.216 4.153 4.350 0.032 0.000 0.198 84 E C 1.049 177.675 176.600 0.043 0.000 0.998 84 E CA 1.301 57.737 56.400 0.061 0.000 0.818 84 E CB -0.079 29.679 29.700 0.097 0.000 0.741 84 E HN 0.579 nan 8.360 nan 0.000 0.477 85 H N -0.285 118.798 119.070 0.022 0.000 3.383 85 H HA 0.067 4.642 4.556 0.032 0.000 0.283 85 H C 0.904 176.234 175.328 0.004 0.000 1.218 85 H CA 0.477 56.534 56.048 0.014 0.000 1.223 85 H CB -0.434 29.336 29.762 0.012 0.000 1.352 85 H HN 0.209 nan 8.280 nan 0.000 0.654 86 L N -0.171 120.943 121.223 -0.182 0.000 4.194 86 L HA 0.163 4.522 4.340 0.032 0.000 0.409 86 L C 0.384 177.189 176.870 -0.108 0.000 1.084 86 L CA -0.154 54.575 54.840 -0.186 0.000 1.510 86 L CB 0.605 42.489 42.059 -0.293 0.000 1.780 86 L HN 0.133 nan 8.230 nan 0.000 0.634 87 L N 3.257 124.450 121.223 -0.050 0.000 2.559 87 L HA 0.114 4.473 4.340 0.032 0.000 0.274 87 L C -0.167 176.717 176.870 0.024 0.000 1.205 87 L CA 0.200 55.038 54.840 -0.002 0.000 0.907 87 L CB 0.657 42.743 42.059 0.045 0.000 1.153 87 L HN -0.042 nan 8.230 nan 0.000 0.490 88 V N 1.327 121.278 119.914 0.062 0.000 2.569 88 V HA 0.425 4.564 4.120 0.032 0.000 0.301 88 V C -0.175 176.118 176.094 0.333 0.000 1.044 88 V CA -0.886 61.514 62.300 0.168 0.000 0.874 88 V CB 1.468 33.407 31.823 0.194 0.000 1.002 88 V HN 0.728 nan 8.190 nan 0.000 0.424 89 N N 3.280 122.106 118.700 0.209 0.000 2.381 89 N HA 0.251 5.010 4.740 0.032 0.000 0.254 89 N C -0.144 175.329 175.510 -0.061 0.000 1.264 89 N CA -0.116 53.039 53.050 0.176 0.000 0.942 89 N CB 0.798 39.319 38.487 0.056 0.000 1.190 89 N HN 1.004 nan 8.380 nan 0.000 0.495 90 N N -0.963 117.523 118.700 -0.356 0.000 2.525 90 N HA 0.314 5.073 4.740 0.032 0.000 0.271 90 N C -0.977 174.233 175.510 -0.501 0.000 1.194 90 N CA -0.820 51.625 53.050 -1.008 0.000 0.964 90 N CB 0.854 38.889 38.487 -0.753 0.000 1.126 90 N HN 0.374 nan 8.380 nan 0.000 0.452 91 A N 1.845 124.340 122.820 -0.541 0.000 2.415 91 A HA 0.236 4.575 4.320 0.032 0.000 0.309 91 A C 0.763 178.191 177.584 -0.260 0.000 1.356 91 A CA -0.796 51.056 52.037 -0.309 0.000 0.998 91 A CB -0.909 17.921 19.000 -0.282 0.000 1.145 91 A HN 0.806 nan 8.150 nan 0.000 0.545 92 T N 0.518 114.968 114.554 -0.174 0.000 2.788 92 T HA 0.468 4.837 4.350 0.032 0.000 0.333 92 T C 0.602 175.232 174.700 -0.118 0.000 1.090 92 T CA 0.218 62.245 62.100 -0.122 0.000 1.094 92 T CB 0.899 69.720 68.868 -0.080 0.000 0.999 92 T HN 1.757 nan 8.240 nan 0.000 0.549 93 G N -0.265 108.482 108.800 -0.088 0.000 2.441 93 G HA2 0.450 4.429 3.960 0.032 0.000 0.294 93 G HA3 0.450 4.429 3.960 0.032 0.000 0.294 93 G C -1.670 173.189 174.900 -0.067 0.000 1.393 93 G CA -1.019 44.036 45.100 -0.075 0.000 0.796 93 G HN 0.947 nan 8.290 nan 0.000 0.494 94 Q N -0.396 119.362 119.800 -0.071 0.000 2.259 94 Q HA 0.675 5.034 4.340 0.032 0.000 0.246 94 Q C -0.295 175.578 176.000 -0.213 0.000 0.920 94 Q CA -0.294 55.402 55.803 -0.178 0.000 0.895 94 Q CB 0.969 29.561 28.738 -0.243 0.000 1.220 94 Q HN 0.470 nan 8.270 nan 0.000 0.439 95 S N 1.231 116.724 115.700 -0.345 0.000 2.638 95 S HA 0.662 5.151 4.470 0.032 0.000 0.302 95 S C -1.585 172.728 174.600 -0.477 0.000 1.096 95 S CA -0.496 57.583 58.200 -0.202 0.000 0.953 95 S CB 0.800 63.979 63.200 -0.034 0.000 1.107 95 S HN 0.537 nan 8.310 nan 0.000 0.503 96 Y N -0.736 119.632 120.300 0.114 0.000 2.638 96 Y HA 0.663 5.230 4.550 0.029 0.000 0.339 96 Y C -0.712 175.271 175.900 0.138 0.000 1.084 96 Y CA -1.112 57.037 58.100 0.082 0.000 1.068 96 Y CB 1.384 39.853 38.460 0.016 0.000 1.294 96 Y HN 0.301 nan 8.280 nan 0.000 0.480 97 V N 2.676 122.753 119.914 0.273 0.000 2.447 97 V HA 0.242 4.381 4.120 0.032 0.000 0.292 97 V C -1.016 175.166 176.094 0.146 0.000 1.021 97 V CA -0.660 61.760 62.300 0.201 0.000 0.850 97 V CB 1.548 33.454 31.823 0.138 0.000 1.005 97 V HN 0.540 nan 8.190 nan 0.000 0.426 98 L N 6.867 128.149 121.223 0.099 0.000 2.407 98 L HA 0.315 4.674 4.340 0.032 0.000 0.282 98 L C 0.695 177.537 176.870 -0.047 0.000 1.110 98 L CA 0.955 55.753 54.840 -0.069 0.000 0.863 98 L CB 0.913 42.866 42.059 -0.177 0.000 1.207 98 L HN 0.454 nan 8.230 nan 0.000 0.454 99 V N 5.416 125.337 119.914 0.011 0.000 2.355 99 V HA -0.018 4.121 4.120 0.032 0.000 0.224 99 V C 1.588 177.688 176.094 0.010 0.000 1.073 99 V CA 1.256 63.596 62.300 0.066 0.000 1.059 99 V CB -0.327 31.622 31.823 0.210 0.000 0.678 99 V HN 0.883 nan 8.190 nan 0.000 0.479 100 N N 0.467 119.183 118.700 0.027 0.000 2.476 100 N HA 0.148 4.907 4.740 0.032 0.000 0.234 100 N C 1.038 176.562 175.510 0.024 0.000 1.035 100 N CA 1.003 54.076 53.050 0.040 0.000 1.194 100 N CB -0.036 38.485 38.487 0.056 0.000 1.542 100 N HN 0.324 nan 8.380 nan 0.000 0.628 101 R N 1.396 121.898 120.500 0.004 0.000 2.868 101 R HA 0.511 4.870 4.340 0.032 0.000 0.289 101 R C -0.676 175.571 176.300 -0.088 0.000 1.443 101 R CA -0.516 55.576 56.100 -0.012 0.000 1.651 101 R CB -0.622 29.687 30.300 0.015 0.000 1.242 101 R HN 0.552 nan 8.270 nan 0.000 0.621 102 T N -1.649 112.798 114.554 -0.178 0.000 3.486 102 T HA 0.325 4.694 4.350 0.032 0.000 0.375 102 T C -0.791 173.647 174.700 -0.437 0.000 1.459 102 T CA -0.629 61.283 62.100 -0.314 0.000 1.151 102 T CB 0.673 69.287 68.868 -0.423 0.000 1.336 102 T HN 0.219 nan 8.240 nan 0.000 0.477 103 L N 4.535 125.559 121.223 -0.333 0.000 2.328 103 L HA 0.341 4.700 4.340 0.032 0.000 0.280 103 L C 0.426 177.231 176.870 -0.107 0.000 1.111 103 L CA -0.749 53.939 54.840 -0.253 0.000 0.909 103 L CB -0.135 41.739 42.059 -0.309 0.000 1.277 103 L HN 0.658 nan 8.230 nan 0.000 0.433 104 H N 3.647 122.770 119.070 0.089 0.000 2.547 104 H HA 0.432 5.008 4.556 0.032 0.000 0.362 104 H C -2.184 173.238 175.328 0.156 0.000 1.181 104 H CA -1.658 54.446 56.048 0.095 0.000 1.376 104 H CB 1.229 31.017 29.762 0.043 0.000 1.488 104 H HN 0.324 nan 8.280 nan 0.000 0.583 105 P HA 0.194 nan 4.420 nan 0.000 0.290 105 P C -0.261 176.997 177.300 -0.069 0.000 1.302 105 P CA -0.800 62.251 63.100 -0.082 0.000 0.893 105 P CB 1.637 33.191 31.700 -0.242 0.000 1.272 106 M N -0.028 119.491 119.600 -0.134 0.000 2.240 106 M HA 0.277 4.776 4.480 0.032 0.000 0.317 106 M C -1.815 174.442 176.300 -0.072 0.000 1.087 106 M CA -1.617 53.636 55.300 -0.079 0.000 1.176 106 M CB -1.792 30.759 32.600 -0.082 0.000 1.439 106 M HN 0.230 nan 8.290 nan 0.000 0.452 107 P HA 0.295 nan 4.420 nan 0.000 0.272 107 P C -0.162 177.110 177.300 -0.046 0.000 1.254 107 P CA 0.034 63.107 63.100 -0.045 0.000 0.795 107 P CB 0.337 32.016 31.700 -0.036 0.000 1.022 131 G N 4.768 113.568 108.800 0.000 0.000 2.420 131 G HA2 -0.237 3.742 3.960 0.032 0.000 0.221 131 G HA3 -0.237 3.742 3.960 0.032 0.000 0.221 131 G C 0.822 175.722 174.900 0.001 0.000 1.117 131 G CA 0.580 45.681 45.100 0.001 0.000 0.657 131 G HN 0.666 nan 8.290 nan 0.000 0.512 132 K N 1.007 121.405 120.400 -0.004 0.000 2.211 132 K HA 0.532 4.871 4.320 0.032 0.000 0.201 132 K C 2.726 179.325 176.600 -0.001 0.000 1.052 132 K CA 1.504 57.785 56.287 -0.010 0.000 0.973 132 K CB -0.541 31.949 32.500 -0.017 0.000 0.766 132 K HN 0.669 nan 8.250 nan 0.000 0.466 133 A N 1.634 124.456 122.820 0.004 0.000 1.855 133 A HA -0.082 4.257 4.320 0.032 0.000 0.213 133 A C 2.469 180.069 177.584 0.026 0.000 1.195 133 A CA 1.889 53.933 52.037 0.012 0.000 0.610 133 A CB -0.729 18.274 19.000 0.006 0.000 0.837 133 A HN 0.289 nan 8.150 nan 0.000 0.444 134 R N -0.403 120.109 120.500 0.021 0.000 2.249 134 R HA 0.184 4.543 4.340 0.032 0.000 0.230 134 R C 2.129 178.455 176.300 0.043 0.000 1.121 134 R CA 2.171 58.287 56.100 0.026 0.000 0.997 134 R CB -1.438 28.872 30.300 0.015 0.000 0.867 134 R HN 0.886 nan 8.270 nan 0.000 0.465 135 A N -0.475 122.371 122.820 0.043 0.000 2.014 135 A HA 0.574 4.913 4.320 0.032 0.000 0.210 135 A C 2.682 180.322 177.584 0.095 0.000 1.188 135 A CA 0.932 53.006 52.037 0.062 0.000 0.731 135 A CB -0.278 18.743 19.000 0.035 0.000 0.858 135 A HN 0.760 nan 8.150 nan 0.000 0.464 136 A N -0.163 122.698 122.820 0.068 0.000 1.930 136 A HA -0.104 4.235 4.320 0.032 0.000 0.217 136 A C 2.211 179.882 177.584 0.145 0.000 1.175 136 A CA 1.785 53.874 52.037 0.086 0.000 0.627 136 A CB -0.529 18.495 19.000 0.040 0.000 0.815 136 A HN 0.587 nan 8.150 nan 0.000 0.443 137 M N -0.570 119.102 119.600 0.121 0.000 2.132 137 M HA -0.137 4.362 4.480 0.032 0.000 0.263 137 M C 0.946 177.348 176.300 0.170 0.000 1.065 137 M CA 2.037 57.423 55.300 0.144 0.000 1.122 137 M CB -0.264 32.412 32.600 0.126 0.000 1.365 137 M HN 0.289 nan 8.290 nan 0.000 0.411 138 D N -0.284 120.208 120.400 0.154 0.000 2.264 138 D HA -0.130 4.529 4.640 0.032 0.000 0.208 138 D C 1.573 177.951 176.300 0.130 0.000 0.966 138 D CA 1.076 55.161 54.000 0.141 0.000 0.864 138 D CB -0.198 40.671 40.800 0.114 0.000 0.933 138 D HN 0.393 nan 8.370 nan 0.000 0.499 139 F N 0.896 120.866 119.950 0.033 0.000 2.147 139 F HA 0.069 4.615 4.527 0.032 0.000 0.291 139 F C 2.216 178.016 175.800 0.001 0.000 1.093 139 F CA 0.574 58.582 58.000 0.013 0.000 1.263 139 F CB -0.119 38.885 39.000 0.006 0.000 1.036 139 F HN -0.217 nan 8.300 nan 0.000 0.481 140 I N 0.354 121.033 120.570 0.181 0.000 2.226 140 I HA -0.219 3.970 4.170 0.032 0.000 0.245 140 I C 0.325 176.416 176.117 -0.042 0.000 1.100 140 I CA 1.159 62.506 61.300 0.077 0.000 1.374 140 I CB -0.288 37.784 38.000 0.121 0.000 1.057 140 I HN -0.017 nan 8.210 nan 0.000 0.413 141 L N 1.437 122.663 121.223 0.005 0.000 2.506 141 L HA 0.401 4.760 4.340 0.032 0.000 0.247 141 L C -2.417 174.453 176.870 0.000 0.000 1.141 141 L CA -1.824 52.971 54.840 -0.075 0.000 0.973 141 L CB 0.071 42.160 42.059 0.051 0.000 1.319 141 L HN -0.152 nan 8.230 nan 0.000 0.455 142 P HA 0.025 nan 4.420 nan 0.000 0.271 142 P C 0.079 177.422 177.300 0.070 0.000 1.238 142 P CA -0.065 63.008 63.100 -0.046 0.000 0.794 142 P CB 0.650 32.263 31.700 -0.145 0.000 0.959 143 A N 1.098 123.980 122.820 0.103 0.000 2.346 143 A HA 0.303 4.642 4.320 0.032 0.000 0.252 143 A C 0.586 178.217 177.584 0.078 0.000 1.089 143 A CA 0.009 52.139 52.037 0.154 0.000 0.797 143 A CB -0.363 18.700 19.000 0.106 0.000 1.047 143 A HN 0.472 nan 8.150 nan 0.000 0.494 144 S N -0.154 115.559 115.700 0.021 0.000 2.549 144 S HA 0.091 4.580 4.470 0.032 0.000 0.286 144 S C 1.120 175.730 174.600 0.017 0.000 1.314 144 S CA -0.053 58.115 58.200 -0.053 0.000 1.062 144 S CB 0.207 63.128 63.200 -0.465 0.000 0.865 144 S HN 0.655 nan 8.310 nan 0.000 0.498 145 K N 2.138 122.551 120.400 0.021 0.000 1.965 145 K HA -0.024 4.315 4.320 0.032 0.000 0.214 145 K C 1.230 177.878 176.600 0.081 0.000 1.042 145 K CA 1.069 57.376 56.287 0.034 0.000 0.950 145 K CB -0.678 31.825 32.500 0.006 0.000 0.733 145 K HN 0.700 nan 8.250 nan 0.000 0.441 146 T N 1.062 115.673 114.554 0.094 0.000 2.802 146 T HA 0.002 4.371 4.350 0.032 0.000 0.305 146 T C 0.696 175.531 174.700 0.226 0.000 1.053 146 T CA 0.003 62.175 62.100 0.120 0.000 1.058 146 T CB 0.644 69.569 68.868 0.095 0.000 0.988 146 T HN 0.353 nan 8.240 nan 0.000 0.539 147 K N 1.495 121.985 120.400 0.150 0.000 2.397 147 K HA 0.252 4.592 4.320 0.032 0.000 0.202 147 K C -0.227 176.362 176.600 -0.019 0.000 1.022 147 K CA -0.441 55.906 56.287 0.101 0.000 1.141 147 K CB 0.439 32.947 32.500 0.013 0.000 0.857 147 K HN 0.392 nan 8.250 nan 0.000 0.514 148 D N 1.891 122.331 120.400 0.065 0.000 2.255 148 D HA 0.040 4.699 4.640 0.032 0.000 0.249 148 D C -0.679 175.672 176.300 0.086 0.000 1.078 148 D CA -0.154 53.863 54.000 0.027 0.000 0.896 148 D CB 1.472 42.297 40.800 0.041 0.000 1.194 148 D HN 0.193 nan 8.370 nan 0.000 0.429 149 D N 0.670 121.085 120.400 0.026 0.000 2.378 149 D HA 0.077 4.736 4.640 0.032 0.000 0.238 149 D C -0.274 176.094 176.300 0.115 0.000 1.180 149 D CA 0.500 54.552 54.000 0.087 0.000 0.895 149 D CB 0.566 41.380 40.800 0.024 0.000 1.192 149 D HN 0.370 nan 8.370 nan 0.000 0.438 150 Q N -0.746 119.129 119.800 0.126 0.000 2.630 150 Q HA 0.441 4.800 4.340 0.032 0.000 0.295 150 Q C -1.293 174.738 176.000 0.053 0.000 0.944 150 Q CA -1.073 54.779 55.803 0.082 0.000 0.766 150 Q CB 0.672 29.465 28.738 0.091 0.000 1.471 150 Q HN 0.385 nan 8.270 nan 0.000 0.416 151 S N 0.399 116.120 115.700 0.035 0.000 2.580 151 S HA 0.282 4.771 4.470 0.032 0.000 0.274 151 S C 1.161 175.787 174.600 0.045 0.000 1.329 151 S CA -0.739 57.471 58.200 0.018 0.000 1.036 151 S CB 0.465 63.665 63.200 0.001 0.000 0.919 151 S HN 0.672 nan 8.310 nan 0.000 0.515 152 L N 2.252 123.507 121.223 0.053 0.000 2.043 152 L HA -0.077 4.282 4.340 0.032 0.000 0.212 152 L C 2.854 179.889 176.870 0.274 0.000 1.075 152 L CA 1.669 56.596 54.840 0.146 0.000 0.752 152 L CB -1.387 40.825 42.059 0.256 0.000 0.891 152 L HN 0.989 nan 8.230 nan 0.000 0.432 153 G N -0.523 108.397 108.800 0.199 0.000 2.446 153 G HA2 -0.313 3.666 3.960 0.032 0.000 0.217 153 G HA3 -0.313 3.666 3.960 0.032 0.000 0.217 153 G C 1.468 176.448 174.900 0.134 0.000 1.168 153 G CA 0.898 46.109 45.100 0.186 0.000 0.771 153 G HN 0.460 nan 8.290 nan 0.000 0.551 154 E N -0.510 119.740 120.200 0.082 0.000 2.051 154 E HA -0.160 4.209 4.350 0.032 0.000 0.192 154 E C 2.093 178.702 176.600 0.015 0.000 0.991 154 E CA 0.899 57.324 56.400 0.042 0.000 0.799 154 E CB -0.297 29.425 29.700 0.036 0.000 0.748 154 E HN 0.377 nan 8.360 nan 0.000 0.449 155 F N 0.333 120.180 119.950 -0.172 0.000 2.069 155 F HA -0.235 4.311 4.527 0.031 0.000 0.298 155 F C 1.693 177.256 175.800 -0.395 0.000 1.113 155 F CA 1.683 59.472 58.000 -0.351 0.000 1.214 155 F CB -0.414 38.252 39.000 -0.555 0.000 0.978 155 F HN 0.032 nan 8.300 nan 0.000 0.474 156 F N 0.444 120.307 119.950 -0.144 0.000 2.098 156 F HA -0.007 4.540 4.527 0.033 0.000 0.294 156 F C 2.693 178.356 175.800 -0.229 0.000 1.107 156 F CA 1.611 59.453 58.000 -0.263 0.000 1.234 156 F CB -1.156 37.810 39.000 -0.057 0.000 1.002 156 F HN -0.216 nan 8.300 nan 0.000 0.472 157 R N 0.094 120.636 120.500 0.070 0.000 2.211 157 R HA -0.205 4.154 4.340 0.032 0.000 0.240 157 R C 2.260 178.521 176.300 -0.066 0.000 1.144 157 R CA 1.253 57.357 56.100 0.007 0.000 0.992 157 R CB -0.229 30.084 30.300 0.022 0.000 0.869 157 R HN 0.203 nan 8.270 nan 0.000 0.462 158 R N 0.745 121.163 120.500 -0.138 0.000 2.200 158 R HA -0.046 4.313 4.340 0.032 0.000 0.208 158 R C 1.548 177.727 176.300 -0.202 0.000 1.033 158 R CA 1.139 57.141 56.100 -0.164 0.000 1.000 158 R CB 0.228 30.413 30.300 -0.191 0.000 0.906 158 R HN 0.169 nan 8.270 nan 0.000 0.462 159 R N -1.139 119.205 120.500 -0.261 0.000 2.509 159 R HA 0.272 4.631 4.340 0.032 0.000 0.297 159 R C -0.672 175.538 176.300 -0.150 0.000 0.951 159 R CA -0.277 55.676 56.100 -0.244 0.000 1.103 159 R CB 0.958 31.028 30.300 -0.383 0.000 1.283 159 R HN 0.000 nan 8.270 nan 0.000 0.534 160 V N 0.102 119.959 119.914 -0.095 0.000 3.147 160 V HA 0.535 4.674 4.120 0.032 0.000 0.306 160 V C -0.194 175.881 176.094 -0.031 0.000 1.209 160 V CA -0.770 61.503 62.300 -0.044 0.000 1.023 160 V CB 2.091 33.907 31.823 -0.011 0.000 1.059 160 V HN 0.329 nan 8.190 nan 0.000 0.435 161 G N 0.707 109.492 108.800 -0.025 0.000 2.491 161 G HA2 0.230 4.209 3.960 0.032 0.000 0.242 161 G HA3 0.230 4.209 3.960 0.032 0.000 0.242 161 G C 0.456 175.345 174.900 -0.018 0.000 1.266 161 G CA -0.003 45.084 45.100 -0.022 0.000 0.844 161 G HN 0.792 nan 8.290 nan 0.000 0.571 162 D N 0.611 121.003 120.400 -0.013 0.000 2.116 162 D HA -0.157 4.502 4.640 0.032 0.000 0.193 162 D C 2.093 178.385 176.300 -0.013 0.000 0.998 162 D CA 1.531 55.526 54.000 -0.008 0.000 0.836 162 D CB -0.097 40.700 40.800 -0.005 0.000 0.951 162 D HN 0.692 nan 8.370 nan 0.000 0.449 163 E N 0.406 120.597 120.200 -0.016 0.000 2.086 163 E HA -0.176 4.193 4.350 0.032 0.000 0.200 163 E C 2.062 178.644 176.600 -0.030 0.000 1.012 163 E CA 1.166 57.554 56.400 -0.019 0.000 0.812 163 E CB -0.143 29.544 29.700 -0.021 0.000 0.743 163 E HN 0.057 nan 8.360 nan 0.000 0.453 164 V N -0.257 119.635 119.914 -0.037 0.000 2.255 164 V HA -0.290 3.849 4.120 0.032 0.000 0.247 164 V C 2.390 178.441 176.094 -0.071 0.000 1.051 164 V CA 1.721 63.989 62.300 -0.054 0.000 1.018 164 V CB -0.611 31.180 31.823 -0.053 0.000 0.641 164 V HN 0.221 nan 8.190 nan 0.000 0.445 165 V N -0.048 119.826 119.914 -0.067 0.000 2.231 165 V HA -0.349 3.790 4.120 0.032 0.000 0.248 165 V C 2.417 178.474 176.094 -0.061 0.000 1.054 165 V CA 2.468 64.716 62.300 -0.086 0.000 1.015 165 V CB -0.832 30.975 31.823 -0.026 0.000 0.638 165 V HN 0.607 nan 8.190 nan 0.000 0.444 166 E N 0.439 120.621 120.200 -0.030 0.000 2.058 166 E HA -0.218 4.151 4.350 0.032 0.000 0.194 166 E C 1.957 178.549 176.600 -0.013 0.000 0.997 166 E CA 1.592 57.984 56.400 -0.014 0.000 0.801 166 E CB -0.224 29.474 29.700 -0.003 0.000 0.746 166 E HN 0.605 nan 8.360 nan 0.000 0.450 167 N N -0.299 118.391 118.700 -0.018 0.000 2.424 167 N HA -0.008 4.751 4.740 0.032 0.000 0.178 167 N C 1.366 176.869 175.510 -0.012 0.000 1.060 167 N CA 0.506 53.552 53.050 -0.006 0.000 0.901 167 N CB 0.530 39.014 38.487 -0.006 0.000 0.979 167 N HN 0.111 nan 8.380 nan 0.000 0.451 168 L N -0.504 120.694 121.223 -0.041 0.000 2.775 168 L HA 0.382 4.741 4.340 0.032 0.000 0.175 168 L C 1.639 178.463 176.870 -0.076 0.000 1.110 168 L CA 0.364 55.175 54.840 -0.048 0.000 0.862 168 L CB -0.393 41.630 42.059 -0.061 0.000 1.381 168 L HN -0.196 nan 8.230 nan 0.000 0.499 169 I N 0.655 121.137 120.570 -0.147 0.000 2.113 169 I HA -0.256 3.933 4.170 0.032 0.000 0.238 169 I C 2.428 178.462 176.117 -0.137 0.000 1.070 169 I CA 1.830 62.986 61.300 -0.239 0.000 1.332 169 I CB -0.468 37.213 38.000 -0.531 0.000 1.044 169 I HN 0.482 nan 8.210 nan 0.000 0.402 170 E N 2.003 122.143 120.200 -0.099 0.000 2.097 170 E HA -0.207 4.162 4.350 0.032 0.000 0.196 170 E C -0.547 176.051 176.600 -0.002 0.000 1.000 170 E CA 1.960 58.343 56.400 -0.029 0.000 0.804 170 E CB -1.376 28.314 29.700 -0.016 0.000 0.740 170 E HN 0.300 nan 8.360 nan 0.000 0.454 171 P HA -0.085 nan 4.420 nan 0.000 0.217 171 P C 1.299 178.604 177.300 0.009 0.000 1.151 171 P CA 1.222 64.325 63.100 0.005 0.000 0.828 171 P CB -0.040 31.666 31.700 0.010 0.000 0.788 172 L N -1.384 119.846 121.223 0.010 0.000 1.988 172 L HA -0.151 4.208 4.340 0.032 0.000 0.207 172 L C 2.515 179.423 176.870 0.064 0.000 1.071 172 L CA 1.404 56.261 54.840 0.027 0.000 0.744 172 L CB -1.195 40.882 42.059 0.031 0.000 0.893 172 L HN -0.078 nan 8.230 nan 0.000 0.433 173 L N -0.421 120.867 121.223 0.109 0.000 2.013 173 L HA -0.271 4.088 4.340 0.032 0.000 0.212 173 L C 2.894 179.878 176.870 0.190 0.000 1.073 173 L CA 1.824 56.799 54.840 0.224 0.000 0.753 173 L CB -0.829 41.366 42.059 0.227 0.000 0.890 173 L HN 0.401 nan 8.230 nan 0.000 0.432 174 S N 0.318 116.074 115.700 0.094 0.000 2.419 174 S HA -0.140 4.349 4.470 0.032 0.000 0.235 174 S C 1.935 176.531 174.600 -0.007 0.000 1.019 174 S CA 1.288 59.520 58.200 0.053 0.000 0.982 174 S CB -0.484 62.731 63.200 0.026 0.000 0.789 174 S HN 0.505 nan 8.310 nan 0.000 0.490 175 G N 1.418 110.198 108.800 -0.033 0.000 2.484 175 G HA2 0.082 4.061 3.960 0.032 0.000 0.218 175 G HA3 0.082 4.061 3.960 0.032 0.000 0.218 175 G C 1.200 175.971 174.900 -0.215 0.000 1.130 175 G CA 0.806 45.829 45.100 -0.129 0.000 0.784 175 G HN 0.868 nan 8.290 nan 0.000 0.543 176 I N -5.273 115.192 120.570 -0.175 0.000 3.833 176 I HA 0.566 4.755 4.170 0.032 0.000 0.328 176 I C 0.346 176.080 176.117 -0.638 0.000 1.554 176 I CA -0.607 60.470 61.300 -0.372 0.000 1.116 176 I CB 0.567 38.349 38.000 -0.364 0.000 1.182 176 I HN -0.038 nan 8.210 nan 0.000 0.459 177 Y N 1.272 121.486 120.300 -0.143 0.000 2.673 177 Y HA 0.463 5.033 4.550 0.032 0.000 0.289 177 Y C 1.546 177.367 175.900 -0.132 0.000 0.975 177 Y CA -0.117 57.892 58.100 -0.153 0.000 1.163 177 Y CB 0.430 38.810 38.460 -0.134 0.000 1.425 177 Y HN 0.197 nan 8.280 nan 0.000 0.588 178 A N 0.927 123.746 122.820 -0.000 0.000 2.704 178 A HA -0.019 4.320 4.320 0.032 0.000 0.299 178 A C 0.845 178.446 177.584 0.029 0.000 1.507 178 A CA 1.340 53.366 52.037 -0.019 0.000 0.776 178 A CB -1.701 17.264 19.000 -0.058 0.000 1.027 178 A HN 0.705 nan 8.150 nan 0.000 0.475 179 G N -1.331 107.503 108.800 0.057 0.000 3.140 179 G HA2 0.570 4.549 3.960 0.032 0.000 0.271 179 G HA3 0.570 4.549 3.960 0.032 0.000 0.271 179 G C -1.091 173.821 174.900 0.019 0.000 1.370 179 G CA 0.271 45.398 45.100 0.045 0.000 1.014 179 G HN 0.445 nan 8.290 nan 0.000 0.541 180 D N 0.269 120.663 120.400 -0.011 0.000 2.359 180 D HA 0.121 4.780 4.640 0.032 0.000 0.230 180 D C 1.827 178.089 176.300 -0.064 0.000 1.118 180 D CA -0.708 53.271 54.000 -0.035 0.000 0.844 180 D CB 1.089 41.855 40.800 -0.055 0.000 1.059 180 D HN 0.366 nan 8.370 nan 0.000 0.493 181 I N 0.710 121.269 120.570 -0.018 0.000 2.700 181 I HA -0.104 4.085 4.170 0.032 0.000 0.261 181 I C 0.708 176.819 176.117 -0.009 0.000 1.219 181 I CA 0.896 62.198 61.300 0.004 0.000 1.463 181 I CB 0.121 38.163 38.000 0.071 0.000 1.092 181 I HN 0.077 nan 8.210 nan 0.000 0.452 182 D N 1.521 121.902 120.400 -0.033 0.000 2.355 182 D HA -0.016 4.643 4.640 0.032 0.000 0.218 182 D C 1.783 178.024 176.300 -0.099 0.000 1.004 182 D CA 0.589 54.567 54.000 -0.035 0.000 0.880 182 D CB 0.251 41.037 40.800 -0.023 0.000 0.911 182 D HN 0.538 nan 8.370 nan 0.000 0.528 183 K N -0.231 120.047 120.400 -0.204 0.000 2.367 183 K HA 0.168 4.507 4.320 0.032 0.000 0.198 183 K C 0.961 177.284 176.600 -0.463 0.000 1.132 183 K CA -0.145 55.878 56.287 -0.440 0.000 0.941 183 K CB 0.712 32.734 32.500 -0.798 0.000 1.052 183 K HN 0.072 nan 8.250 nan 0.000 0.507 184 L N 2.641 123.683 121.223 -0.303 0.000 2.514 184 L HA -0.030 4.329 4.340 0.032 0.000 0.280 184 L C 0.822 177.642 176.870 -0.084 0.000 1.223 184 L CA -0.008 54.733 54.840 -0.165 0.000 0.864 184 L CB 0.346 42.289 42.059 -0.193 0.000 1.118 184 L HN 0.053 nan 8.230 nan 0.000 0.494 185 S N 2.418 118.105 115.700 -0.022 0.000 2.523 185 S HA 0.130 4.619 4.470 0.032 0.000 0.275 185 S C 0.741 175.338 174.600 -0.004 0.000 1.281 185 S CA -0.818 57.395 58.200 0.021 0.000 1.050 185 S CB 0.910 64.160 63.200 0.083 0.000 0.937 185 S HN 0.532 nan 8.310 nan 0.000 0.492 186 L N 6.021 127.256 121.223 0.020 0.000 2.027 186 L HA 0.098 4.457 4.340 0.032 0.000 0.206 186 L C 2.316 179.256 176.870 0.116 0.000 1.074 186 L CA 1.953 56.785 54.840 -0.012 0.000 0.745 186 L CB -0.730 41.241 42.059 -0.147 0.000 0.898 186 L HN 0.927 nan 8.230 nan 0.000 0.433 187 M N -1.145 118.597 119.600 0.238 0.000 2.149 187 M HA -0.215 4.284 4.480 0.032 0.000 0.261 187 M C 1.951 178.324 176.300 0.122 0.000 1.064 187 M CA 2.057 57.502 55.300 0.242 0.000 1.102 187 M CB -0.040 32.593 32.600 0.056 0.000 1.369 187 M HN 0.338 nan 8.290 nan 0.000 0.408 188 S N -1.149 114.604 115.700 0.090 0.000 2.501 188 S HA -0.024 4.465 4.470 0.032 0.000 0.220 188 S C 1.744 176.404 174.600 0.100 0.000 0.997 188 S CA 1.209 59.471 58.200 0.104 0.000 0.919 188 S CB -0.179 63.106 63.200 0.142 0.000 0.778 188 S HN 0.669 nan 8.310 nan 0.000 0.523 189 T N -1.471 113.047 114.554 -0.060 0.000 3.042 189 T HA 0.280 4.649 4.350 0.032 0.000 0.245 189 T C 0.221 174.631 174.700 -0.482 0.000 1.029 189 T CA 0.204 62.095 62.100 -0.349 0.000 1.120 189 T CB -0.176 68.242 68.868 -0.751 0.000 0.917 189 T HN 0.211 nan 8.240 nan 0.000 0.467 190 F N 2.638 122.645 119.950 0.094 0.000 2.564 190 F HA 0.441 4.987 4.527 0.031 0.000 0.329 190 F C -2.006 173.830 175.800 0.060 0.000 1.458 190 F CA -3.196 54.856 58.000 0.086 0.000 1.117 190 F CB 1.612 40.733 39.000 0.202 0.000 1.383 190 F HN -0.012 nan 8.300 nan 0.000 0.571 191 P HA -0.246 nan 4.420 nan 0.000 0.220 191 P C 1.145 178.538 177.300 0.154 0.000 1.144 191 P CA 1.369 64.590 63.100 0.202 0.000 0.800 191 P CB 0.207 31.982 31.700 0.125 0.000 0.772 192 Q N -1.214 118.603 119.800 0.028 0.000 2.500 192 Q HA -0.088 4.271 4.340 0.032 0.000 0.213 192 Q C 0.953 176.825 176.000 -0.212 0.000 0.974 192 Q CA 0.991 56.722 55.803 -0.119 0.000 0.918 192 Q CB -0.998 27.599 28.738 -0.234 0.000 0.980 192 Q HN 0.276 nan 8.270 nan 0.000 0.505 193 F N -0.056 119.856 119.950 -0.064 0.000 2.664 193 F HA 0.328 4.874 4.527 0.031 0.000 0.301 193 F C 0.263 175.888 175.800 -0.292 0.000 1.126 193 F CA -0.445 57.428 58.000 -0.212 0.000 1.373 193 F CB 0.018 38.718 39.000 -0.501 0.000 1.042 193 F HN -0.070 nan 8.300 nan 0.000 0.535 227 F N 1.118 121.106 119.950 0.064 0.000 2.546 227 F HA 0.741 5.286 4.527 0.031 0.000 0.320 227 F C 0.447 176.318 175.800 0.117 0.000 1.076 227 F CA -0.725 57.337 58.000 0.104 0.000 0.928 227 F CB 2.610 41.744 39.000 0.224 0.000 1.189 227 F HN 0.177 nan 8.300 nan 0.000 0.465 228 Q N 0.886 120.654 119.800 -0.053 0.000 2.399 228 Q HA 0.826 5.185 4.340 0.032 0.000 0.276 228 Q C -1.045 174.511 176.000 -0.740 0.000 1.098 228 Q CA -0.948 54.674 55.803 -0.303 0.000 0.827 228 Q CB 2.961 31.450 28.738 -0.415 0.000 1.386 228 Q HN 0.721 nan 8.270 nan 0.000 0.443 229 T N -0.245 114.041 114.554 -0.447 0.000 2.645 229 T HA 0.489 4.858 4.350 0.032 0.000 0.300 229 T C -1.289 173.281 174.700 -0.217 0.000 1.210 229 T CA -0.772 61.060 62.100 -0.447 0.000 1.034 229 T CB 0.760 69.228 68.868 -0.666 0.000 1.537 229 T HN 0.337 nan 8.240 nan 0.000 0.492 230 L N 2.213 123.322 121.223 -0.190 0.000 2.319 230 L HA 0.332 4.691 4.340 0.032 0.000 0.281 230 L C 1.583 178.296 176.870 -0.261 0.000 1.005 230 L CA -0.706 54.034 54.840 -0.166 0.000 0.828 230 L CB 1.776 43.773 42.059 -0.103 0.000 1.227 230 L HN 0.981 nan 8.230 nan 0.000 0.415 231 S N -0.148 115.335 115.700 -0.362 0.000 2.441 231 S HA -0.201 4.288 4.470 0.032 0.000 0.242 231 S C 1.335 175.757 174.600 -0.296 0.000 1.018 231 S CA 1.875 59.719 58.200 -0.594 0.000 0.988 231 S CB -0.521 62.453 63.200 -0.377 0.000 0.778 231 S HN 0.762 nan 8.310 nan 0.000 0.498 232 T N 0.796 115.249 114.554 -0.167 0.000 3.067 232 T HA 0.506 4.875 4.350 0.032 0.000 0.257 232 T C 0.898 175.573 174.700 -0.041 0.000 1.105 232 T CA 0.491 62.546 62.100 -0.075 0.000 1.104 232 T CB -0.072 68.758 68.868 -0.063 0.000 0.925 232 T HN 1.061 nan 8.240 nan 0.000 0.498 233 G N 0.344 109.106 108.800 -0.063 0.000 2.764 233 G HA2 -0.034 3.945 3.960 0.032 0.000 0.678 233 G HA3 -0.034 3.945 3.960 0.032 0.000 0.678 233 G C 0.181 175.051 174.900 -0.049 0.000 1.341 233 G CA -0.779 44.299 45.100 -0.037 0.000 0.836 233 G HN 0.177 nan 8.290 nan 0.000 0.632 234 L N 0.550 121.739 121.223 -0.056 0.000 2.081 234 L HA -0.189 4.170 4.340 0.032 0.000 0.212 234 L C 3.064 179.930 176.870 -0.007 0.000 1.080 234 L CA 2.419 57.243 54.840 -0.026 0.000 0.754 234 L CB -0.090 41.957 42.059 -0.019 0.000 0.893 234 L HN 0.872 nan 8.230 nan 0.000 0.433 235 Q N -0.514 119.284 119.800 -0.003 0.000 2.297 235 Q HA -0.242 4.117 4.340 0.032 0.000 0.208 235 Q C 1.987 177.983 176.000 -0.007 0.000 0.981 235 Q CA 2.030 57.836 55.803 0.005 0.000 0.876 235 Q CB -0.003 28.744 28.738 0.014 0.000 0.921 235 Q HN 0.657 nan 8.270 nan 0.000 0.446 236 T N -1.147 113.396 114.554 -0.018 0.000 2.821 236 T HA -0.175 4.194 4.350 0.032 0.000 0.267 236 T C 1.720 176.397 174.700 -0.037 0.000 1.046 236 T CA 1.000 63.085 62.100 -0.026 0.000 1.139 236 T CB -0.381 68.465 68.868 -0.037 0.000 0.871 236 T HN 0.334 nan 8.240 nan 0.000 0.454 237 L N 1.542 122.742 121.223 -0.038 0.000 2.081 237 L HA -0.003 4.356 4.340 0.032 0.000 0.212 237 L C 2.463 179.288 176.870 -0.074 0.000 1.080 237 L CA 1.441 56.246 54.840 -0.058 0.000 0.754 237 L CB -0.775 41.265 42.059 -0.032 0.000 0.893 237 L HN 0.241 nan 8.230 nan 0.000 0.433 238 V N -0.407 119.481 119.914 -0.043 0.000 2.323 238 V HA -0.221 3.918 4.120 0.032 0.000 0.244 238 V C 2.450 178.524 176.094 -0.034 0.000 1.041 238 V CA 1.922 64.200 62.300 -0.036 0.000 1.025 238 V CB -0.758 31.061 31.823 -0.007 0.000 0.656 238 V HN 0.469 nan 8.190 nan 0.000 0.451 239 E N -0.200 119.987 120.200 -0.022 0.000 2.110 239 E HA -0.220 4.149 4.350 0.032 0.000 0.193 239 E C 2.309 178.897 176.600 -0.020 0.000 0.988 239 E CA 1.008 57.401 56.400 -0.012 0.000 0.804 239 E CB -0.143 29.554 29.700 -0.005 0.000 0.745 239 E HN 0.431 nan 8.360 nan 0.000 0.458 240 E N 0.724 120.899 120.200 -0.041 0.000 2.153 240 E HA -0.156 4.213 4.350 0.032 0.000 0.194 240 E C 1.964 178.522 176.600 -0.070 0.000 0.988 240 E CA 0.792 57.162 56.400 -0.050 0.000 0.811 240 E CB -0.026 29.629 29.700 -0.075 0.000 0.746 240 E HN 0.350 nan 8.360 nan 0.000 0.466 241 I N 0.335 120.840 120.570 -0.108 0.000 2.233 241 I HA -0.227 3.962 4.170 0.032 0.000 0.243 241 I C 2.561 178.680 176.117 0.002 0.000 1.093 241 I CA 1.089 62.320 61.300 -0.115 0.000 1.380 241 I CB -0.313 37.589 38.000 -0.164 0.000 1.067 241 I HN 0.123 nan 8.210 nan 0.000 0.413 242 E N 1.779 121.981 120.200 0.003 0.000 2.130 242 E HA -0.280 4.089 4.350 0.032 0.000 0.196 242 E C 2.048 178.672 176.600 0.040 0.000 0.998 242 E CA 1.658 58.076 56.400 0.029 0.000 0.806 242 E CB 0.074 29.788 29.700 0.024 0.000 0.738 242 E HN 0.393 nan 8.360 nan 0.000 0.459 243 K N -0.196 120.223 120.400 0.031 0.000 2.103 243 K HA -0.064 4.275 4.320 0.032 0.000 0.204 243 K C 1.975 178.609 176.600 0.056 0.000 1.052 243 K CA 1.213 57.523 56.287 0.038 0.000 0.945 243 K CB 0.072 32.589 32.500 0.028 0.000 0.722 243 K HN 0.226 nan 8.250 nan 0.000 0.443 244 Q N 0.615 120.461 119.800 0.077 0.000 2.415 244 Q HA 0.102 4.461 4.340 0.032 0.000 0.206 244 Q C -0.297 175.784 176.000 0.135 0.000 0.946 244 Q CA 0.160 56.037 55.803 0.124 0.000 0.951 244 Q CB 0.144 29.003 28.738 0.203 0.000 1.026 244 Q HN 0.262 nan 8.270 nan 0.000 0.510 245 L N 1.430 122.715 121.223 0.103 0.000 2.257 245 L HA 0.186 4.545 4.340 0.032 0.000 0.290 245 L C 0.776 177.677 176.870 0.051 0.000 1.044 245 L CA -0.415 54.473 54.840 0.079 0.000 0.810 245 L CB 0.786 42.892 42.059 0.079 0.000 1.193 245 L HN -0.022 nan 8.230 nan 0.000 0.425 246 K N 3.038 123.457 120.400 0.032 0.000 2.225 246 K HA 0.170 4.509 4.320 0.032 0.000 0.204 246 K C 1.361 177.976 176.600 0.025 0.000 1.047 246 K CA 0.739 57.042 56.287 0.026 0.000 0.970 246 K CB 0.001 32.510 32.500 0.016 0.000 0.939 246 K HN 0.365 nan 8.250 nan 0.000 0.472 247 L N 1.784 123.016 121.223 0.016 0.000 2.599 247 L HA 0.109 4.468 4.340 0.032 0.000 0.230 247 L C 0.422 177.309 176.870 0.028 0.000 1.141 247 L CA 0.695 55.547 54.840 0.019 0.000 0.877 247 L CB -0.962 41.105 42.059 0.012 0.000 1.009 247 L HN -0.094 nan 8.230 nan 0.000 0.447 248 T N 0.465 115.038 114.554 0.032 0.000 2.744 248 T HA 0.249 4.618 4.350 0.032 0.000 0.291 248 T C 0.365 175.091 174.700 0.043 0.000 0.957 248 T CA -0.563 61.557 62.100 0.032 0.000 1.002 248 T CB 0.900 69.787 68.868 0.031 0.000 0.919 248 T HN 0.042 nan 8.240 nan 0.000 0.468 249 K N 3.018 123.431 120.400 0.021 0.000 2.220 249 K HA 0.275 4.614 4.320 0.032 0.000 0.283 249 K C -0.491 176.117 176.600 0.013 0.000 1.098 249 K CA -0.311 56.020 56.287 0.074 0.000 0.928 249 K CB 0.381 32.904 32.500 0.039 0.000 1.214 249 K HN 0.355 nan 8.250 nan 0.000 0.442 250 V N 5.755 125.768 119.914 0.166 0.000 2.356 250 V HA 0.088 4.227 4.120 0.032 0.000 0.258 250 V C -0.244 176.086 176.094 0.393 0.000 1.065 250 V CA -0.368 62.035 62.300 0.171 0.000 0.935 250 V CB -0.568 31.326 31.823 0.118 0.000 1.061 250 V HN 0.564 nan 8.190 nan 0.000 0.484 251 Y N 4.630 124.949 120.300 0.032 0.000 2.341 251 Y HA 0.466 5.035 4.550 0.032 0.000 0.340 251 Y C 0.709 176.622 175.900 0.023 0.000 0.997 251 Y CA -1.114 57.002 58.100 0.027 0.000 1.149 251 Y CB 1.511 39.989 38.460 0.030 0.000 1.171 251 Y HN 0.538 nan 8.280 nan 0.000 0.494 252 K N 0.581 121.078 120.400 0.162 0.000 2.416 252 K HA 0.490 4.829 4.320 0.032 0.000 0.244 252 K C 0.895 177.536 176.600 0.068 0.000 1.044 252 K CA -0.426 55.918 56.287 0.095 0.000 0.972 252 K CB 0.996 33.534 32.500 0.063 0.000 1.286 252 K HN 0.818 nan 8.250 nan 0.000 0.500 253 G N 0.807 109.635 108.800 0.046 0.000 2.225 253 G HA2 -0.289 3.690 3.960 0.032 0.000 0.272 253 G HA3 -0.289 3.690 3.960 0.032 0.000 0.272 253 G C -0.029 174.893 174.900 0.036 0.000 0.996 253 G CA 1.303 46.421 45.100 0.031 0.000 0.710 253 G HN 0.637 nan 8.290 nan 0.000 0.522 254 T N -2.231 112.357 114.554 0.057 0.000 2.848 254 T HA 0.679 5.048 4.350 0.032 0.000 0.285 254 T C -0.526 174.208 174.700 0.056 0.000 0.995 254 T CA -0.397 61.741 62.100 0.063 0.000 0.970 254 T CB 2.324 71.252 68.868 0.100 0.000 0.976 254 T HN 0.787 nan 8.240 nan 0.000 0.441 255 K N 1.464 121.889 120.400 0.041 0.000 2.270 255 K HA 0.712 5.051 4.320 0.032 0.000 0.255 255 K C -0.951 175.665 176.600 0.027 0.000 0.936 255 K CA -1.024 55.282 56.287 0.031 0.000 0.809 255 K CB 1.842 34.355 32.500 0.022 0.000 1.131 255 K HN 0.361 nan 8.250 nan 0.000 0.427 256 V N 3.115 123.040 119.914 0.018 0.000 2.555 256 V HA 0.039 4.178 4.120 0.032 0.000 0.286 256 V C 1.180 177.277 176.094 0.005 0.000 1.044 256 V CA 0.319 62.625 62.300 0.009 0.000 1.026 256 V CB 1.028 32.846 31.823 -0.008 0.000 0.981 256 V HN 1.140 nan 8.190 nan 0.000 0.480 257 T N 0.965 115.523 114.554 0.007 0.000 2.971 257 T HA 0.284 4.653 4.350 0.032 0.000 0.252 257 T C 0.335 175.034 174.700 -0.001 0.000 1.022 257 T CA -0.112 61.991 62.100 0.004 0.000 0.980 257 T CB 0.276 69.150 68.868 0.010 0.000 1.044 257 T HN 0.488 nan 8.240 nan 0.000 0.501 258 K N 0.282 120.682 120.400 -0.001 0.000 2.543 258 K HA 0.586 4.925 4.320 0.032 0.000 0.255 258 K C -2.378 174.218 176.600 -0.008 0.000 0.934 258 K CA -0.980 55.305 56.287 -0.003 0.000 0.810 258 K CB 2.269 34.777 32.500 0.013 0.000 1.315 258 K HN 0.098 nan 8.250 nan 0.000 0.433 259 L N 2.561 123.767 121.223 -0.028 0.000 2.305 259 L HA 0.605 4.964 4.340 0.032 0.000 0.284 259 L C -0.833 176.068 176.870 0.051 0.000 1.013 259 L CA 0.363 55.181 54.840 -0.037 0.000 0.819 259 L CB 1.447 43.412 42.059 -0.155 0.000 1.227 259 L HN 0.686 nan 8.230 nan 0.000 0.417 260 S N 3.099 118.886 115.700 0.145 0.000 2.794 260 S HA 0.566 5.055 4.470 0.032 0.000 0.299 260 S C -1.699 173.111 174.600 0.351 0.000 1.179 260 S CA -0.568 57.781 58.200 0.248 0.000 0.838 260 S CB 0.995 64.287 63.200 0.153 0.000 1.206 260 S HN 0.749 nan 8.310 nan 0.000 0.523 261 H N 0.900 120.091 119.070 0.202 0.000 2.547 261 H HA 0.587 5.162 4.556 0.032 0.000 0.342 261 H C 0.291 175.623 175.328 0.007 0.000 1.048 261 H CA -0.242 55.851 56.048 0.075 0.000 1.204 261 H CB 1.899 31.646 29.762 -0.025 0.000 1.493 261 H HN 0.550 nan 8.280 nan 0.000 0.511 262 S N 2.258 117.936 115.700 -0.037 0.000 2.272 262 S HA 0.120 4.610 4.470 0.032 0.000 0.161 262 S C 1.542 176.220 174.600 0.131 0.000 1.293 262 S CA 0.655 58.876 58.200 0.035 0.000 2.027 262 S CB -0.187 62.990 63.200 -0.037 0.000 0.565 262 S HN 0.800 nan 8.310 nan 0.000 0.364 263 G N -0.558 108.285 108.800 0.071 0.000 2.764 263 G HA2 0.113 4.092 3.960 0.032 0.000 0.218 263 G HA3 0.113 4.092 3.960 0.032 0.000 0.218 263 G C 1.158 176.143 174.900 0.142 0.000 1.304 263 G CA 0.729 45.879 45.100 0.084 0.000 0.847 263 G HN 0.539 nan 8.290 nan 0.000 0.610 264 S N -1.403 114.335 115.700 0.063 0.000 2.559 264 S HA 0.331 4.820 4.470 0.032 0.000 0.226 264 S C 0.237 174.787 174.600 -0.084 0.000 1.000 264 S CA -0.427 57.811 58.200 0.063 0.000 0.948 264 S CB -0.212 63.000 63.200 0.019 0.000 0.870 264 S HN 0.344 nan 8.310 nan 0.000 0.497 265 C N 0.998 120.155 119.300 -0.238 0.000 2.630 265 C HA 0.688 5.167 4.460 0.032 0.000 0.346 265 C C -0.839 173.715 174.990 -0.727 0.000 1.245 265 C CA -0.885 57.922 59.018 -0.352 0.000 1.804 265 C CB 0.758 28.426 27.740 -0.120 0.000 2.279 265 C HN 0.535 nan 8.230 nan 0.000 0.498 266 Y N 0.713 120.799 120.300 -0.356 0.000 2.320 266 Y HA 0.449 5.018 4.550 0.032 0.000 0.324 266 Y C 0.708 176.516 175.900 -0.153 0.000 1.190 266 Y CA 0.211 58.126 58.100 -0.308 0.000 1.215 266 Y CB 1.276 39.633 38.460 -0.173 0.000 1.221 266 Y HN 0.573 nan 8.280 nan 0.000 0.486 267 S N 3.311 119.065 115.700 0.090 0.000 2.456 267 S HA 0.627 5.116 4.470 0.032 0.000 0.316 267 S C -1.500 173.136 174.600 0.060 0.000 1.089 267 S CA -0.641 57.595 58.200 0.059 0.000 1.101 267 S CB 0.007 63.237 63.200 0.049 0.000 0.995 267 S HN 0.484 nan 8.310 nan 0.000 0.468 268 L N 4.983 126.230 121.223 0.039 0.000 2.277 268 L HA 0.462 4.821 4.340 0.032 0.000 0.284 268 L C 0.283 177.171 176.870 0.029 0.000 1.028 268 L CA 0.023 54.875 54.840 0.020 0.000 0.835 268 L CB 1.275 43.333 42.059 -0.002 0.000 1.215 268 L HN 0.684 nan 8.230 nan 0.000 0.425 269 E N 3.881 124.098 120.200 0.027 0.000 2.257 269 E HA 0.304 4.673 4.350 0.032 0.000 0.278 269 E C -0.465 176.152 176.600 0.028 0.000 1.049 269 E CA -0.155 56.263 56.400 0.030 0.000 0.876 269 E CB 0.978 30.695 29.700 0.027 0.000 1.035 269 E HN 0.448 nan 8.360 nan 0.000 0.419 270 L N 2.152 123.397 121.223 0.037 0.000 2.472 270 L HA 0.137 4.496 4.340 0.032 0.000 0.256 270 L C 1.398 178.287 176.870 0.032 0.000 1.111 270 L CA -0.745 54.119 54.840 0.040 0.000 0.800 270 L CB 0.445 42.540 42.059 0.060 0.000 1.286 270 L HN 0.535 nan 8.230 nan 0.000 0.479 271 D N 0.549 120.968 120.400 0.033 0.000 2.088 271 D HA -0.183 4.476 4.640 0.032 0.000 0.191 271 D C 1.661 177.974 176.300 0.022 0.000 0.992 271 D CA 2.066 56.081 54.000 0.025 0.000 0.831 271 D CB -0.103 40.712 40.800 0.025 0.000 0.973 271 D HN 0.686 nan 8.370 nan 0.000 0.447 272 N N -0.801 117.915 118.700 0.025 0.000 2.348 272 N HA -0.023 4.736 4.740 0.032 0.000 0.185 272 N C 1.491 177.013 175.510 0.021 0.000 1.019 272 N CA 1.884 54.946 53.050 0.020 0.000 0.880 272 N CB -0.329 38.170 38.487 0.019 0.000 0.965 272 N HN 0.348 nan 8.380 nan 0.000 0.437 273 G N -1.850 106.966 108.800 0.027 0.000 2.336 273 G HA2 -0.203 3.776 3.960 0.032 0.000 0.194 273 G HA3 -0.203 3.776 3.960 0.032 0.000 0.194 273 G C -0.176 174.743 174.900 0.033 0.000 0.999 273 G CA -0.047 45.069 45.100 0.026 0.000 0.669 273 G HN 0.267 nan 8.290 nan 0.000 0.482 274 V N 1.756 121.695 119.914 0.040 0.000 2.999 274 V HA 0.478 4.617 4.120 0.032 0.000 0.307 274 V C 0.719 176.846 176.094 0.056 0.000 1.084 274 V CA 1.145 63.475 62.300 0.051 0.000 1.155 274 V CB 1.465 33.329 31.823 0.069 0.000 0.975 274 V HN 0.324 nan 8.190 nan 0.000 0.490 275 T N 5.865 120.454 114.554 0.058 0.000 2.840 275 T HA 0.556 4.925 4.350 0.032 0.000 0.287 275 T C -0.426 174.315 174.700 0.069 0.000 0.991 275 T CA -0.338 61.796 62.100 0.056 0.000 0.964 275 T CB 0.813 69.709 68.868 0.046 0.000 0.954 275 T HN 0.356 nan 8.240 nan 0.000 0.438 276 L N 2.531 123.798 121.223 0.073 0.000 2.375 276 L HA 0.629 4.988 4.340 0.032 0.000 0.268 276 L C 0.047 176.968 176.870 0.085 0.000 1.058 276 L CA -1.004 53.894 54.840 0.095 0.000 0.803 276 L CB 0.891 43.007 42.059 0.096 0.000 1.212 276 L HN 0.485 nan 8.230 nan 0.000 0.451 277 D N 0.607 121.083 120.400 0.128 0.000 2.342 277 D HA 0.747 5.406 4.640 0.032 0.000 0.243 277 D C -0.884 175.491 176.300 0.125 0.000 1.019 277 D CA -0.138 53.926 54.000 0.106 0.000 0.864 277 D CB 2.483 43.341 40.800 0.096 0.000 1.315 277 D HN 0.613 nan 8.370 nan 0.000 0.468 278 A N 1.071 123.918 122.820 0.046 0.000 2.612 278 A HA 0.414 4.753 4.320 0.032 0.000 0.293 278 A C -0.420 177.209 177.584 0.075 0.000 1.075 278 A CA -0.587 51.432 52.037 -0.030 0.000 0.680 278 A CB 1.462 20.346 19.000 -0.193 0.000 1.279 278 A HN 0.394 nan 8.150 nan 0.000 0.411 279 D N 0.082 120.532 120.400 0.083 0.000 2.338 279 D HA 0.176 4.835 4.640 0.032 0.000 0.208 279 D C 0.318 176.770 176.300 0.253 0.000 0.997 279 D CA 1.246 55.343 54.000 0.162 0.000 0.880 279 D CB 0.854 41.731 40.800 0.128 0.000 0.980 279 D HN 0.365 nan 8.370 nan 0.000 0.509 280 S N 0.178 115.944 115.700 0.110 0.000 2.548 280 S HA 0.508 4.997 4.470 0.032 0.000 0.276 280 S C -1.323 173.229 174.600 -0.080 0.000 1.129 280 S CA -0.561 57.649 58.200 0.017 0.000 0.931 280 S CB 1.723 64.961 63.200 0.063 0.000 1.068 280 S HN -0.175 nan 8.310 nan 0.000 0.480 281 V N 5.438 125.253 119.914 -0.164 0.000 2.577 281 V HA 0.554 4.693 4.120 0.032 0.000 0.303 281 V C -0.678 175.352 176.094 -0.106 0.000 1.042 281 V CA -0.601 61.593 62.300 -0.176 0.000 0.872 281 V CB 1.697 33.352 31.823 -0.280 0.000 0.998 281 V HN 0.847 nan 8.190 nan 0.000 0.423 282 I N 4.842 125.375 120.570 -0.062 0.000 2.330 282 I HA 0.369 4.558 4.170 0.032 0.000 0.286 282 I C -0.470 175.614 176.117 -0.055 0.000 1.025 282 I CA -0.667 60.618 61.300 -0.025 0.000 1.197 282 I CB 1.709 39.701 38.000 -0.014 0.000 1.358 282 I HN 0.296 nan 8.210 nan 0.000 0.467 283 V N 5.458 125.328 119.914 -0.073 0.000 2.364 283 V HA 0.170 4.309 4.120 0.032 0.000 0.272 283 V C 1.095 177.181 176.094 -0.014 0.000 1.036 283 V CA -0.140 62.128 62.300 -0.055 0.000 0.880 283 V CB 1.125 32.903 31.823 -0.074 0.000 0.991 283 V HN 0.886 nan 8.190 nan 0.000 0.460 284 T N 1.054 115.618 114.554 0.018 0.000 3.084 284 T HA 0.428 4.797 4.350 0.032 0.000 0.270 284 T C 0.637 175.389 174.700 0.086 0.000 1.008 284 T CA 0.397 62.531 62.100 0.058 0.000 0.900 284 T CB 0.413 69.308 68.868 0.045 0.000 1.084 284 T HN 0.727 nan 8.240 nan 0.000 0.538 285 A N 2.690 125.553 122.820 0.070 0.000 2.406 285 A HA 0.605 4.944 4.320 0.032 0.000 0.243 285 A C -2.202 175.434 177.584 0.087 0.000 1.082 285 A CA -1.208 50.867 52.037 0.063 0.000 0.786 285 A CB -0.399 18.624 19.000 0.038 0.000 1.029 285 A HN 0.310 nan 8.150 nan 0.000 0.495 286 P HA 0.055 nan 4.420 nan 0.000 0.269 286 P C 0.441 177.727 177.300 -0.024 0.000 1.217 286 P CA 0.488 63.571 63.100 -0.028 0.000 0.783 286 P CB 0.256 31.885 31.700 -0.119 0.000 0.898 287 H N 1.367 120.446 119.070 0.016 0.000 2.400 287 H HA -0.217 4.358 4.556 0.032 0.000 0.295 287 H C 1.592 176.913 175.328 -0.012 0.000 1.118 287 H CA 1.933 57.963 56.048 -0.030 0.000 1.256 287 H CB -0.485 29.220 29.762 -0.095 0.000 1.365 287 H HN 0.240 nan 8.280 nan 0.000 0.502 288 K N 0.668 121.133 120.400 0.108 0.000 2.025 288 K HA -0.011 4.328 4.320 0.032 0.000 0.207 288 K C 2.495 179.127 176.600 0.052 0.000 1.049 288 K CA 1.091 57.453 56.287 0.125 0.000 0.933 288 K CB -0.384 32.141 32.500 0.040 0.000 0.714 288 K HN 0.432 nan 8.250 nan 0.000 0.438 289 A N 1.186 124.016 122.820 0.017 0.000 1.858 289 A HA -0.111 4.228 4.320 0.032 0.000 0.216 289 A C 2.363 179.961 177.584 0.023 0.000 1.190 289 A CA 2.111 54.158 52.037 0.016 0.000 0.617 289 A CB -0.784 18.222 19.000 0.010 0.000 0.827 289 A HN 0.416 nan 8.150 nan 0.000 0.443 290 A N 0.012 122.858 122.820 0.044 0.000 1.865 290 A HA 0.083 4.422 4.320 0.032 0.000 0.217 290 A C 2.512 180.110 177.584 0.023 0.000 1.191 290 A CA 2.456 54.520 52.037 0.045 0.000 0.623 290 A CB -1.245 17.825 19.000 0.117 0.000 0.826 290 A HN 1.255 nan 8.150 nan 0.000 0.444 291 A N -0.834 122.011 122.820 0.042 0.000 2.131 291 A HA 0.091 4.430 4.320 0.032 0.000 0.220 291 A C 2.212 179.793 177.584 -0.005 0.000 1.158 291 A CA 1.912 53.957 52.037 0.014 0.000 0.665 291 A CB -1.110 17.903 19.000 0.023 0.000 0.795 291 A HN 0.780 nan 8.150 nan 0.000 0.460 292 G N -0.485 108.316 108.800 0.002 0.000 2.453 292 G HA2 -0.028 3.951 3.960 0.032 0.000 0.215 292 G HA3 -0.028 3.951 3.960 0.032 0.000 0.215 292 G C 1.445 176.334 174.900 -0.019 0.000 1.147 292 G CA 0.729 45.826 45.100 -0.005 0.000 0.802 292 G HN 0.570 nan 8.290 nan 0.000 0.535 293 M N -0.765 118.815 119.600 -0.032 0.000 2.619 293 M HA 0.353 4.852 4.480 0.032 0.000 0.251 293 M C 0.580 176.828 176.300 -0.087 0.000 1.106 293 M CA 0.736 56.005 55.300 -0.052 0.000 1.086 293 M CB 0.381 32.943 32.600 -0.063 0.000 1.465 293 M HN 0.075 nan 8.290 nan 0.000 0.506 294 L N 0.626 121.793 121.223 -0.095 0.000 3.132 294 L HA 0.211 4.570 4.340 0.032 0.000 0.333 294 L C 1.448 178.270 176.870 -0.080 0.000 1.293 294 L CA 0.105 54.862 54.840 -0.138 0.000 0.809 294 L CB 0.369 42.269 42.059 -0.265 0.000 1.244 294 L HN 0.163 nan 8.230 nan 0.000 0.586 295 S N -1.889 113.786 115.700 -0.042 0.000 2.440 295 S HA -0.165 4.324 4.470 0.032 0.000 0.240 295 S C 1.461 176.050 174.600 -0.018 0.000 1.014 295 S CA 1.313 59.497 58.200 -0.026 0.000 0.980 295 S CB -0.116 63.077 63.200 -0.013 0.000 0.775 295 S HN 0.509 nan 8.310 nan 0.000 0.499 296 E N 0.802 121.001 120.200 -0.002 0.000 2.107 296 E HA 0.111 4.480 4.350 0.032 0.000 0.191 296 E C 0.656 177.268 176.600 0.020 0.000 0.982 296 E CA -0.002 56.409 56.400 0.018 0.000 0.809 296 E CB -0.500 29.231 29.700 0.051 0.000 0.756 296 E HN 0.467 nan 8.360 nan 0.000 0.459 297 L N 3.008 124.244 121.223 0.023 0.000 2.584 297 L HA 0.003 4.362 4.340 0.032 0.000 0.272 297 L C -1.750 175.104 176.870 -0.026 0.000 1.195 297 L CA -0.722 54.136 54.840 0.030 0.000 0.920 297 L CB 0.490 42.559 42.059 0.015 0.000 1.173 297 L HN -0.204 nan 8.230 nan 0.000 0.489 298 P HA -0.201 nan 4.420 nan 0.000 0.215 298 P C 1.177 178.380 177.300 -0.162 0.000 1.157 298 P CA 2.163 65.217 63.100 -0.076 0.000 0.874 298 P CB 0.119 31.787 31.700 -0.053 0.000 0.790 299 A N -1.184 121.542 122.820 -0.156 0.000 2.125 299 A HA -0.153 4.186 4.320 0.032 0.000 0.219 299 A C 2.043 179.468 177.584 -0.266 0.000 1.156 299 A CA 0.932 52.805 52.037 -0.274 0.000 0.671 299 A CB -1.611 17.337 19.000 -0.087 0.000 0.794 299 A HN 0.135 nan 8.150 nan 0.000 0.459 300 I N 0.901 121.384 120.570 -0.144 0.000 2.850 300 I HA -0.188 4.001 4.170 0.032 0.000 0.266 300 I C 2.511 178.558 176.117 -0.116 0.000 1.257 300 I CA 1.426 62.671 61.300 -0.092 0.000 1.465 300 I CB -0.213 37.747 38.000 -0.068 0.000 1.091 300 I HN 0.456 nan 8.210 nan 0.000 0.467 301 S N -0.761 114.820 115.700 -0.198 0.000 2.399 301 S HA -0.234 4.255 4.470 0.032 0.000 0.231 301 S C 2.067 176.602 174.600 -0.108 0.000 1.022 301 S CA 1.113 59.218 58.200 -0.159 0.000 0.983 301 S CB -0.723 62.371 63.200 -0.176 0.000 0.803 301 S HN 0.505 nan 8.310 nan 0.000 0.480 302 H N 1.033 120.057 119.070 -0.078 0.000 2.387 302 H HA 0.089 4.664 4.556 0.032 0.000 0.299 302 H C 2.060 177.292 175.328 -0.159 0.000 1.090 302 H CA 1.315 57.297 56.048 -0.110 0.000 1.332 302 H CB -0.676 29.025 29.762 -0.101 0.000 1.386 302 H HN 0.317 nan 8.280 nan 0.000 0.516 303 L N 1.407 122.621 121.223 -0.016 0.000 2.109 303 L HA -0.119 4.240 4.340 0.032 0.000 0.207 303 L C 2.228 179.020 176.870 -0.131 0.000 1.086 303 L CA 1.674 56.459 54.840 -0.093 0.000 0.760 303 L CB -0.351 41.697 42.059 -0.019 0.000 0.910 303 L HN 0.295 nan 8.230 nan 0.000 0.437 304 K N -2.163 118.187 120.400 -0.085 0.000 2.459 304 K HA 0.013 4.352 4.320 0.032 0.000 0.193 304 K C 1.138 177.654 176.600 -0.140 0.000 1.030 304 K CA 1.184 57.430 56.287 -0.068 0.000 1.026 304 K CB -0.350 32.132 32.500 -0.031 0.000 0.809 304 K HN 0.363 nan 8.250 nan 0.000 0.504 305 N N 0.114 118.694 118.700 -0.201 0.000 2.280 305 N HA 0.147 4.906 4.740 0.032 0.000 0.192 305 N C -0.106 175.084 175.510 -0.533 0.000 1.109 305 N CA -0.356 52.533 53.050 -0.269 0.000 0.855 305 N CB 0.194 38.586 38.487 -0.158 0.000 0.974 305 N HN 0.147 nan 8.380 nan 0.000 0.482 306 M N 0.785 120.023 119.600 -0.605 0.000 2.207 306 M HA 0.059 4.558 4.480 0.032 0.000 0.311 306 M C -0.138 175.682 176.300 -0.799 0.000 1.127 306 M CA 0.531 55.355 55.300 -0.794 0.000 1.181 306 M CB 0.479 32.469 32.600 -1.017 0.000 1.409 306 M HN 0.122 nan 8.290 nan 0.000 0.461 307 H N 0.081 118.982 119.070 -0.283 0.000 2.572 307 H HA 0.422 4.997 4.556 0.032 0.000 0.359 307 H C -1.099 174.294 175.328 0.109 0.000 1.134 307 H CA -0.673 55.347 56.048 -0.047 0.000 1.187 307 H CB 1.820 31.542 29.762 -0.066 0.000 1.597 307 H HN 0.483 nan 8.280 nan 0.000 0.524 308 S N 1.903 117.792 115.700 0.315 0.000 2.733 308 S HA 0.147 4.636 4.470 0.032 0.000 0.307 308 S C 0.254 174.946 174.600 0.152 0.000 1.127 308 S CA -0.811 57.519 58.200 0.216 0.000 1.097 308 S CB 0.894 64.199 63.200 0.175 0.000 1.003 308 S HN 0.734 nan 8.310 nan 0.000 0.477 309 T N 1.501 116.122 114.554 0.111 0.000 2.903 309 T HA 0.321 4.690 4.350 0.032 0.000 0.314 309 T C 0.347 175.089 174.700 0.071 0.000 1.078 309 T CA -0.455 61.692 62.100 0.079 0.000 1.114 309 T CB 0.353 69.254 68.868 0.056 0.000 0.987 309 T HN 0.330 nan 8.240 nan 0.000 0.548 310 S N 1.163 116.895 115.700 0.053 0.000 2.554 310 S HA 0.665 5.154 4.470 0.032 0.000 0.278 310 S C -0.366 174.255 174.600 0.036 0.000 1.242 310 S CA -0.835 57.380 58.200 0.025 0.000 1.051 310 S CB 1.451 64.612 63.200 -0.065 0.000 0.986 310 S HN 0.833 nan 8.310 nan 0.000 0.502 311 V N 0.871 120.837 119.914 0.087 0.000 3.147 311 V HA 0.859 4.998 4.120 0.032 0.000 0.306 311 V C -1.357 174.866 176.094 0.214 0.000 1.209 311 V CA -0.648 61.734 62.300 0.137 0.000 1.023 311 V CB 2.229 34.135 31.823 0.139 0.000 1.059 311 V HN 1.070 nan 8.190 nan 0.000 0.435 312 A N 3.344 126.280 122.820 0.194 0.000 2.365 312 A HA 0.822 5.161 4.320 0.032 0.000 0.318 312 A C -0.987 176.638 177.584 0.068 0.000 1.091 312 A CA -0.678 51.446 52.037 0.145 0.000 0.763 312 A CB 1.495 20.520 19.000 0.041 0.000 1.248 312 A HN 0.781 nan 8.150 nan 0.000 0.442 313 N N 1.600 120.299 118.700 -0.002 0.000 2.372 313 N HA 0.515 5.274 4.740 0.032 0.000 0.285 313 N C -1.909 173.488 175.510 -0.189 0.000 1.008 313 N CA -0.188 52.684 53.050 -0.297 0.000 0.880 313 N CB 1.822 40.216 38.487 -0.154 0.000 1.239 313 N HN 0.293 nan 8.380 nan 0.000 0.484 314 V N 2.246 122.019 119.914 -0.236 0.000 2.409 314 V HA 0.599 4.738 4.120 0.032 0.000 0.290 314 V C 0.201 176.204 176.094 -0.152 0.000 1.017 314 V CA -1.009 61.201 62.300 -0.149 0.000 0.841 314 V CB 0.832 32.594 31.823 -0.102 0.000 1.003 314 V HN 0.821 nan 8.190 nan 0.000 0.426 315 A N 6.321 129.052 122.820 -0.147 0.000 2.316 315 A HA 0.931 5.270 4.320 0.032 0.000 0.284 315 A C -0.676 176.791 177.584 -0.195 0.000 1.115 315 A CA -0.356 51.582 52.037 -0.166 0.000 0.812 315 A CB 0.657 19.548 19.000 -0.182 0.000 1.064 315 A HN 0.803 nan 8.150 nan 0.000 0.489 316 L N 1.454 122.544 121.223 -0.223 0.000 2.464 316 L HA 0.624 4.983 4.340 0.032 0.000 0.266 316 L C 0.248 176.831 176.870 -0.479 0.000 0.965 316 L CA -0.656 53.983 54.840 -0.336 0.000 0.833 316 L CB 2.503 44.458 42.059 -0.174 0.000 1.296 316 L HN 0.832 nan 8.230 nan 0.000 0.405 317 G N 1.899 110.307 108.800 -0.652 0.000 2.417 317 G HA2 0.724 4.703 3.960 0.032 0.000 0.320 317 G HA3 0.724 4.703 3.960 0.032 0.000 0.320 317 G C -1.427 173.121 174.900 -0.588 0.000 1.204 317 G CA -0.173 44.657 45.100 -0.451 0.000 0.923 317 G HN 0.243 nan 8.290 nan 0.000 0.466 318 F N 2.264 122.261 119.950 0.079 0.000 2.540 318 F HA 0.428 4.973 4.527 0.030 0.000 0.317 318 F C -1.734 174.117 175.800 0.085 0.000 1.104 318 F CA -2.272 55.760 58.000 0.053 0.000 0.913 318 F CB 2.980 41.975 39.000 -0.008 0.000 1.170 318 F HN 0.268 nan 8.300 nan 0.000 0.450 319 P HA -0.077 nan 4.420 nan 0.000 0.216 319 P C 0.524 177.914 177.300 0.150 0.000 1.153 319 P CA 1.453 64.647 63.100 0.157 0.000 0.844 319 P CB 0.518 32.286 31.700 0.113 0.000 0.787 320 E N -3.930 116.359 120.200 0.148 0.000 1.916 320 E HA 0.054 4.423 4.350 0.032 0.000 0.163 320 E C 1.415 178.035 176.600 0.034 0.000 0.816 320 E CA 0.487 56.943 56.400 0.092 0.000 1.258 320 E CB -1.300 28.444 29.700 0.073 0.000 2.604 320 E HN 0.002 nan 8.360 nan 0.000 0.627 321 G N 0.732 109.559 108.800 0.045 0.000 2.653 321 G HA2 -0.213 3.766 3.960 0.032 0.000 0.212 321 G HA3 -0.213 3.766 3.960 0.032 0.000 0.212 321 G C 1.407 176.191 174.900 -0.193 0.000 1.138 321 G CA 1.105 46.182 45.100 -0.037 0.000 0.782 321 G HN 0.370 nan 8.290 nan 0.000 0.535 322 S N 0.338 115.908 115.700 -0.217 0.000 2.351 322 S HA -0.116 4.373 4.470 0.032 0.000 0.220 322 S C 1.103 175.546 174.600 -0.263 0.000 1.035 322 S CA 0.609 58.596 58.200 -0.355 0.000 1.031 322 S CB -0.637 62.403 63.200 -0.266 0.000 0.928 322 S HN 0.812 nan 8.310 nan 0.000 0.433 323 V N 2.192 122.020 119.914 -0.144 0.000 5.560 323 V HA -0.200 3.939 4.120 0.032 0.000 0.297 323 V C 0.332 176.350 176.094 -0.127 0.000 0.697 323 V CA 0.553 62.793 62.300 -0.100 0.000 1.103 323 V CB -2.301 29.466 31.823 -0.093 0.000 1.292 323 V HN 0.689 nan 8.190 nan 0.000 0.440 324 Q N 2.940 122.689 119.800 -0.086 0.000 2.408 324 Q HA 0.076 4.435 4.340 0.032 0.000 0.357 324 Q C 0.754 176.694 176.000 -0.100 0.000 1.236 324 Q CA 1.594 57.350 55.803 -0.077 0.000 1.053 324 Q CB 0.247 29.032 28.738 0.078 0.000 1.238 324 Q HN 0.860 nan 8.270 nan 0.000 0.428 325 M N -0.280 119.249 119.600 -0.118 0.000 1.855 325 M HA 0.173 4.672 4.480 0.032 0.000 0.221 325 M C 1.121 177.324 176.300 -0.162 0.000 1.275 325 M CA -0.151 55.056 55.300 -0.156 0.000 0.937 325 M CB 0.101 32.580 32.600 -0.201 0.000 1.279 325 M HN 0.725 nan 8.290 nan 0.000 0.490 326 E N 0.146 120.198 120.200 -0.245 0.000 2.007 326 E HA -0.187 4.182 4.350 0.032 0.000 0.203 326 E C 0.398 176.808 176.600 -0.318 0.000 1.020 326 E CA 1.326 57.527 56.400 -0.331 0.000 0.845 326 E CB -0.602 28.791 29.700 -0.512 0.000 0.779 326 E HN 0.645 nan 8.360 nan 0.000 0.466 327 H N 0.691 119.639 119.070 -0.203 0.000 2.408 327 H HA 0.346 4.920 4.556 0.030 0.000 0.352 327 H C -0.286 175.008 175.328 -0.057 0.000 1.607 327 H CA 0.212 56.160 56.048 -0.166 0.000 1.445 327 H CB 0.795 30.285 29.762 -0.452 0.000 1.664 327 H HN 0.344 nan 8.280 nan 0.000 0.605 328 E N -0.053 120.299 120.200 0.253 0.000 2.448 328 E HA 0.431 4.800 4.350 0.032 0.000 0.288 328 E C -1.159 175.644 176.600 0.338 0.000 0.936 328 E CA -0.450 56.128 56.400 0.297 0.000 0.809 328 E CB 0.637 30.481 29.700 0.239 0.000 1.408 328 E HN 0.827 nan 8.360 nan 0.000 0.393 329 G N 1.002 110.066 108.800 0.439 0.000 2.827 329 G HA2 0.207 4.186 3.960 0.032 0.000 0.296 329 G HA3 0.207 4.186 3.960 0.032 0.000 0.296 329 G C 0.515 175.598 174.900 0.306 0.000 1.362 329 G CA -0.134 45.170 45.100 0.340 0.000 0.809 329 G HN 0.276 nan 8.290 nan 0.000 0.522 330 T N -0.603 114.056 114.554 0.175 0.000 2.652 330 T HA 0.255 4.624 4.350 0.032 0.000 0.267 330 T C 1.144 176.016 174.700 0.288 0.000 1.039 330 T CA 2.464 64.654 62.100 0.150 0.000 1.153 330 T CB -0.526 68.368 68.868 0.043 0.000 0.863 330 T HN 1.347 nan 8.240 nan 0.000 0.428 331 G N -0.412 108.583 108.800 0.324 0.000 2.435 331 G HA2 0.511 4.490 3.960 0.032 0.000 0.296 331 G HA3 0.511 4.490 3.960 0.032 0.000 0.296 331 G C -1.948 173.250 174.900 0.497 0.000 1.240 331 G CA -0.437 44.885 45.100 0.369 0.000 0.872 331 G HN 0.465 nan 8.290 nan 0.000 0.480 332 F N -1.444 118.598 119.950 0.152 0.000 2.770 332 F HA 0.765 5.310 4.527 0.030 0.000 0.313 332 F C -0.839 175.002 175.800 0.068 0.000 1.154 332 F CA -1.102 56.976 58.000 0.130 0.000 0.923 332 F CB 1.324 40.413 39.000 0.148 0.000 1.301 332 F HN 1.015 nan 8.300 nan 0.000 0.449 333 V N 0.277 120.281 119.914 0.150 0.000 2.864 333 V HA 0.814 4.953 4.120 0.032 0.000 0.314 333 V C -0.977 175.175 176.094 0.096 0.000 1.073 333 V CA -0.967 61.343 62.300 0.017 0.000 0.956 333 V CB 1.760 33.593 31.823 0.017 0.000 1.023 333 V HN 0.776 nan 8.190 nan 0.000 0.435 334 I N 2.782 123.357 120.570 0.008 0.000 2.359 334 I HA 0.500 4.689 4.170 0.032 0.000 0.294 334 I C 0.771 176.880 176.117 -0.014 0.000 0.987 334 I CA 0.385 61.663 61.300 -0.036 0.000 1.225 334 I CB 1.541 39.461 38.000 -0.134 0.000 1.366 334 I HN 0.903 nan 8.210 nan 0.000 0.466 335 S N 5.162 120.855 115.700 -0.012 0.000 2.584 335 S HA 0.180 4.669 4.470 0.032 0.000 0.270 335 S C 1.660 176.271 174.600 0.019 0.000 1.346 335 S CA -0.373 57.833 58.200 0.010 0.000 1.018 335 S CB 0.558 63.771 63.200 0.022 0.000 0.899 335 S HN 0.509 nan 8.310 nan 0.000 0.542 336 R N 2.626 123.141 120.500 0.025 0.000 2.171 336 R HA -0.116 4.243 4.340 0.032 0.000 0.226 336 R C 0.680 177.009 176.300 0.049 0.000 1.113 336 R CA 1.558 57.679 56.100 0.035 0.000 0.887 336 R CB -1.763 28.553 30.300 0.027 0.000 0.830 336 R HN 0.896 nan 8.270 nan 0.000 0.432 337 N N 1.430 120.155 118.700 0.043 0.000 2.416 337 N HA -0.049 4.710 4.740 0.032 0.000 0.291 337 N C -0.000 175.550 175.510 0.067 0.000 1.257 337 N CA 0.501 53.582 53.050 0.052 0.000 1.043 337 N CB 0.964 39.475 38.487 0.041 0.000 1.441 337 N HN 0.102 nan 8.380 nan 0.000 0.490 338 S N 0.985 116.746 115.700 0.103 0.000 2.506 338 S HA -0.036 4.453 4.470 0.032 0.000 0.255 338 S C -0.839 173.946 174.600 0.309 0.000 0.976 338 S CA -0.358 57.938 58.200 0.161 0.000 1.493 338 S CB 0.004 63.240 63.200 0.059 0.000 1.241 338 S HN 0.535 nan 8.310 nan 0.000 0.655 339 D N 1.171 121.697 120.400 0.209 0.000 2.704 339 D HA -0.168 4.491 4.640 0.032 0.000 0.232 339 D C -0.597 175.834 176.300 0.219 0.000 1.183 339 D CA 1.134 55.236 54.000 0.171 0.000 0.647 339 D CB -1.443 39.417 40.800 0.099 0.000 1.013 339 D HN 0.368 nan 8.370 nan 0.000 0.415 340 F N -0.467 119.505 119.950 0.037 0.000 2.523 340 F HA 0.572 5.118 4.527 0.030 0.000 0.329 340 F C 1.328 177.149 175.800 0.036 0.000 1.061 340 F CA -0.348 57.677 58.000 0.042 0.000 0.967 340 F CB 1.515 40.552 39.000 0.063 0.000 1.218 340 F HN -0.044 nan 8.300 nan 0.000 0.480 341 A N 2.570 125.474 122.820 0.141 0.000 1.887 341 A HA 0.174 4.513 4.320 0.032 0.000 0.212 341 A C 0.898 178.564 177.584 0.137 0.000 1.198 341 A CA 0.397 52.492 52.037 0.097 0.000 0.628 341 A CB -0.800 18.216 19.000 0.028 0.000 0.847 341 A HN 0.616 nan 8.150 nan 0.000 0.449 342 I N -3.037 117.645 120.570 0.186 0.000 2.836 342 I HA 0.270 4.459 4.170 0.032 0.000 0.285 342 I C 0.837 177.043 176.117 0.148 0.000 1.174 342 I CA 0.264 61.657 61.300 0.155 0.000 1.405 342 I CB 0.810 38.902 38.000 0.152 0.000 1.385 342 I HN -0.015 nan 8.210 nan 0.000 0.594 343 T N 3.279 117.889 114.554 0.093 0.000 3.042 343 T HA 0.447 4.816 4.350 0.032 0.000 0.245 343 T C 0.418 175.107 174.700 -0.018 0.000 1.029 343 T CA 0.676 62.808 62.100 0.054 0.000 1.120 343 T CB 0.164 69.069 68.868 0.061 0.000 0.917 343 T HN 0.866 nan 8.240 nan 0.000 0.467 344 A N -0.698 122.097 122.820 -0.043 0.000 2.588 344 A HA 0.689 5.028 4.320 0.032 0.000 0.290 344 A C -1.636 175.787 177.584 -0.269 0.000 1.136 344 A CA -0.675 51.247 52.037 -0.192 0.000 0.681 344 A CB 1.305 20.250 19.000 -0.091 0.000 1.282 344 A HN 0.303 nan 8.150 nan 0.000 0.421 345 C N 0.346 119.356 119.300 -0.482 0.000 2.871 345 C HA 0.790 5.269 4.460 0.032 0.000 0.378 345 C C -0.448 174.421 174.990 -0.201 0.000 1.052 345 C CA 0.437 59.234 59.018 -0.368 0.000 1.250 345 C CB 0.413 27.818 27.740 -0.559 0.000 1.689 345 C HN 1.398 nan 8.230 nan 0.000 0.506 346 T N 4.801 119.352 114.554 -0.005 0.000 2.863 346 T HA 0.561 4.930 4.350 0.032 0.000 0.285 346 T C -1.217 173.611 174.700 0.214 0.000 1.009 346 T CA -0.145 62.025 62.100 0.118 0.000 0.989 346 T CB 1.057 69.996 68.868 0.119 0.000 1.004 346 T HN 0.779 nan 8.240 nan 0.000 0.455 347 W N 5.615 126.957 121.300 0.071 0.000 2.365 347 W HA 0.296 4.961 4.660 0.008 0.000 0.371 347 W C 1.017 177.569 176.519 0.056 0.000 1.006 347 W CA -0.725 56.663 57.345 0.073 0.000 1.528 347 W CB -0.518 28.990 29.460 0.080 0.000 1.497 347 W HN 0.876 nan 8.180 nan 0.000 0.367 348 T N 3.067 117.852 114.554 0.386 0.000 2.653 348 T HA -0.327 4.042 4.350 0.032 0.000 0.268 348 T C 1.619 176.449 174.700 0.217 0.000 1.035 348 T CA 2.289 64.559 62.100 0.284 0.000 1.154 348 T CB -0.011 68.982 68.868 0.208 0.000 0.862 348 T HN 0.522 nan 8.240 nan 0.000 0.441 349 N N 0.979 119.853 118.700 0.290 0.000 2.018 349 N HA -0.160 4.599 4.740 0.032 0.000 0.196 349 N C 1.926 177.339 175.510 -0.161 0.000 1.043 349 N CA 1.009 54.122 53.050 0.105 0.000 0.856 349 N CB -0.136 38.491 38.487 0.233 0.000 1.042 349 N HN 0.216 nan 8.380 nan 0.000 0.423 350 K N 1.424 121.561 120.400 -0.438 0.000 2.044 350 K HA -0.130 4.209 4.320 0.032 0.000 0.210 350 K C 1.873 178.264 176.600 -0.347 0.000 1.049 350 K CA 1.429 57.417 56.287 -0.498 0.000 0.927 350 K CB -0.255 31.862 32.500 -0.638 0.000 0.713 350 K HN 0.368 nan 8.250 nan 0.000 0.443 351 K N -1.014 119.186 120.400 -0.334 0.000 2.021 351 K HA -0.087 4.252 4.320 0.032 0.000 0.205 351 K C 0.465 176.531 176.600 -0.890 0.000 1.047 351 K CA 0.955 56.863 56.287 -0.632 0.000 0.943 351 K CB 0.028 32.138 32.500 -0.651 0.000 0.725 351 K HN 0.113 nan 8.250 nan 0.000 0.439 352 W N 2.299 123.518 121.300 -0.136 0.000 2.453 352 W HA 0.261 4.942 4.660 0.034 0.000 0.298 352 W C -2.079 174.238 176.519 -0.337 0.000 0.983 352 W CA -1.989 55.180 57.345 -0.293 0.000 1.600 352 W CB 0.950 30.154 29.460 -0.426 0.000 1.430 352 W HN -0.013 nan 8.180 nan 0.000 0.422 353 P HA -0.276 nan 4.420 nan 0.000 0.216 353 P C 1.282 178.598 177.300 0.027 0.000 1.150 353 P CA 1.994 65.086 63.100 -0.013 0.000 0.837 353 P CB 0.110 31.810 31.700 0.000 0.000 0.786 354 H N -0.792 118.372 119.070 0.156 0.000 2.568 354 H HA 0.194 4.770 4.556 0.033 0.000 0.281 354 H C 1.673 177.087 175.328 0.145 0.000 1.028 354 H CA 0.848 56.976 56.048 0.133 0.000 1.199 354 H CB -1.134 28.703 29.762 0.126 0.000 1.352 354 H HN 0.119 nan 8.280 nan 0.000 0.605 355 A N 0.847 123.617 122.820 -0.083 0.000 1.855 355 A HA 0.451 4.790 4.320 0.032 0.000 0.213 355 A C 1.636 179.355 177.584 0.224 0.000 1.195 355 A CA 0.647 52.728 52.037 0.073 0.000 0.610 355 A CB -0.611 18.400 19.000 0.017 0.000 0.837 355 A HN 0.636 nan 8.150 nan 0.000 0.444 356 A N -0.143 122.819 122.820 0.237 0.000 2.325 356 A HA 0.659 4.998 4.320 0.032 0.000 0.333 356 A C -2.886 174.796 177.584 0.164 0.000 1.155 356 A CA -1.816 50.437 52.037 0.360 0.000 0.814 356 A CB 0.283 19.555 19.000 0.453 0.000 1.206 356 A HN 0.168 nan 8.150 nan 0.000 0.482 357 P HA 0.290 nan 4.420 nan 0.000 0.271 357 P C -0.683 176.634 177.300 0.029 0.000 1.220 357 P CA -0.030 63.053 63.100 -0.029 0.000 0.768 357 P CB 0.462 32.063 31.700 -0.166 0.000 0.848 358 E N 1.951 122.176 120.200 0.041 0.000 2.653 358 E HA 0.202 4.571 4.350 0.032 0.000 0.264 358 E C 1.637 178.270 176.600 0.056 0.000 0.949 358 E CA 1.892 58.325 56.400 0.055 0.000 0.953 358 E CB -0.605 29.119 29.700 0.041 0.000 0.925 358 E HN 0.745 nan 8.360 nan 0.000 0.475 359 G N 1.698 110.547 108.800 0.082 0.000 2.217 359 G HA2 -0.247 3.732 3.960 0.032 0.000 0.246 359 G HA3 -0.247 3.732 3.960 0.032 0.000 0.246 359 G C -0.029 174.941 174.900 0.117 0.000 0.990 359 G CA 0.109 45.260 45.100 0.085 0.000 0.627 359 G HN 0.309 nan 8.290 nan 0.000 0.522 360 K N 0.733 121.218 120.400 0.141 0.000 2.207 360 K HA 0.699 5.038 4.320 0.032 0.000 0.255 360 K C -0.655 176.120 176.600 0.292 0.000 0.941 360 K CA -0.381 56.029 56.287 0.206 0.000 0.825 360 K CB 1.715 34.325 32.500 0.183 0.000 1.119 360 K HN 0.056 nan 8.250 nan 0.000 0.430 361 T N 2.573 117.319 114.554 0.321 0.000 2.772 361 T HA 0.333 4.702 4.350 0.032 0.000 0.288 361 T C -0.865 174.006 174.700 0.285 0.000 0.994 361 T CA -0.541 61.770 62.100 0.351 0.000 0.951 361 T CB 0.386 69.399 68.868 0.242 0.000 0.933 361 T HN 0.213 nan 8.240 nan 0.000 0.447 362 L N 6.479 127.864 121.223 0.270 0.000 2.276 362 L HA 0.581 4.940 4.340 0.032 0.000 0.286 362 L C -0.961 175.973 176.870 0.106 0.000 1.024 362 L CA -0.297 54.597 54.840 0.090 0.000 0.826 362 L CB 0.198 42.277 42.059 0.034 0.000 1.211 362 L HN 0.564 nan 8.230 nan 0.000 0.422 363 L N 4.642 125.890 121.223 0.041 0.000 2.358 363 L HA 0.651 5.010 4.340 0.032 0.000 0.268 363 L C -0.075 176.792 176.870 -0.004 0.000 1.032 363 L CA -0.913 53.947 54.840 0.035 0.000 0.805 363 L CB 1.622 43.709 42.059 0.046 0.000 1.253 363 L HN 0.590 nan 8.230 nan 0.000 0.452 364 R N 1.051 121.550 120.500 -0.002 0.000 2.515 364 R HA 0.706 5.065 4.340 0.032 0.000 0.291 364 R C -1.701 174.553 176.300 -0.076 0.000 1.046 364 R CA -0.369 55.695 56.100 -0.059 0.000 0.914 364 R CB 1.914 32.197 30.300 -0.029 0.000 1.191 364 R HN 0.756 nan 8.270 nan 0.000 0.435 365 A N 3.954 126.694 122.820 -0.134 0.000 2.355 365 A HA 0.587 4.926 4.320 0.032 0.000 0.317 365 A C -1.834 175.640 177.584 -0.185 0.000 1.094 365 A CA -0.497 51.480 52.037 -0.101 0.000 0.764 365 A CB 0.976 19.948 19.000 -0.048 0.000 1.230 365 A HN 0.664 nan 8.150 nan 0.000 0.448 366 Y N 0.792 121.066 120.300 -0.044 0.000 2.387 366 Y HA 0.594 5.163 4.550 0.031 0.000 0.336 366 Y C 0.171 176.067 175.900 -0.008 0.000 1.067 366 Y CA -0.160 57.926 58.100 -0.024 0.000 1.114 366 Y CB 2.203 40.636 38.460 -0.046 0.000 1.208 366 Y HN 0.495 nan 8.280 nan 0.000 0.458 367 V N 1.241 121.263 119.914 0.179 0.000 3.078 367 V HA 0.880 5.019 4.120 0.032 0.000 0.311 367 V C -0.247 175.914 176.094 0.112 0.000 1.138 367 V CA -0.723 61.645 62.300 0.114 0.000 1.007 367 V CB 1.859 33.718 31.823 0.061 0.000 1.045 367 V HN 0.976 nan 8.190 nan 0.000 0.432 368 G N 2.519 111.366 108.800 0.077 0.000 3.039 368 G HA2 0.064 4.043 3.960 0.032 0.000 0.686 368 G HA3 0.064 4.043 3.960 0.032 0.000 0.686 368 G C -1.065 173.867 174.900 0.053 0.000 1.066 368 G CA -0.115 45.020 45.100 0.057 0.000 0.774 368 G HN 1.155 nan 8.290 nan 0.000 0.591 369 K N 1.173 121.597 120.400 0.039 0.000 2.512 369 K HA 0.867 5.206 4.320 0.032 0.000 0.263 369 K C 0.257 176.872 176.600 0.025 0.000 0.966 369 K CA -0.597 55.709 56.287 0.031 0.000 0.851 369 K CB 1.800 34.320 32.500 0.034 0.000 1.395 369 K HN 1.996 nan 8.250 nan 0.000 0.440 370 A N 0.802 123.635 122.820 0.022 0.000 2.584 370 A HA 0.380 4.720 4.320 0.032 0.000 0.239 370 A C 1.179 178.769 177.584 0.010 0.000 1.043 370 A CA 1.553 53.600 52.037 0.017 0.000 0.756 370 A CB -1.321 17.689 19.000 0.016 0.000 0.963 370 A HN 1.379 nan 8.150 nan 0.000 0.511 371 G N 1.410 110.212 108.800 0.003 0.000 4.492 371 G HA2 -0.230 3.749 3.960 0.032 0.000 0.265 371 G HA3 -0.230 3.749 3.960 0.032 0.000 0.265 371 G C 0.260 175.167 174.900 0.011 0.000 1.702 371 G CA 0.373 45.475 45.100 0.003 0.000 1.266 371 G HN 1.061 nan 8.290 nan 0.000 0.643 372 D N 3.281 123.691 120.400 0.018 0.000 2.468 372 D HA 0.355 5.015 4.640 0.032 0.000 0.218 372 D C 0.979 177.294 176.300 0.024 0.000 1.155 372 D CA 0.526 54.539 54.000 0.022 0.000 0.924 372 D CB -0.035 40.780 40.800 0.025 0.000 1.029 372 D HN 0.712 nan 8.370 nan 0.000 0.515 373 E N 0.809 121.023 120.200 0.022 0.000 2.693 373 E HA 0.035 4.404 4.350 0.032 0.000 0.214 373 E C 1.059 177.668 176.600 0.014 0.000 0.990 373 E CA -0.186 56.225 56.400 0.019 0.000 1.047 373 E CB 0.227 29.938 29.700 0.018 0.000 1.039 373 E HN 0.213 nan 8.360 nan 0.000 0.475 374 S N 1.072 116.785 115.700 0.022 0.000 2.447 374 S HA -0.094 4.396 4.470 0.032 0.000 0.233 374 S C 1.966 176.579 174.600 0.022 0.000 1.006 374 S CA 0.340 58.556 58.200 0.027 0.000 0.957 374 S CB -0.782 62.434 63.200 0.028 0.000 0.773 374 S HN 0.352 nan 8.310 nan 0.000 0.507 375 I N 1.664 122.243 120.570 0.016 0.000 2.423 375 I HA -0.118 4.071 4.170 0.032 0.000 0.254 375 I C 1.908 178.028 176.117 0.005 0.000 1.151 375 I CA 0.769 62.077 61.300 0.014 0.000 1.421 375 I CB -0.782 37.230 38.000 0.019 0.000 1.079 375 I HN 0.198 nan 8.210 nan 0.000 0.431 376 V N 0.794 120.700 119.914 -0.013 0.000 3.078 376 V HA -0.188 3.951 4.120 0.032 0.000 0.265 376 V C 1.799 177.893 176.094 -0.000 0.000 1.122 376 V CA 1.526 63.795 62.300 -0.051 0.000 1.141 376 V CB -0.753 30.960 31.823 -0.182 0.000 0.735 376 V HN 0.425 nan 8.190 nan 0.000 0.498 377 D N -0.003 120.423 120.400 0.044 0.000 2.216 377 D HA 0.118 4.777 4.640 0.032 0.000 0.208 377 D C 1.066 177.393 176.300 0.045 0.000 0.960 377 D CA 0.162 54.211 54.000 0.082 0.000 0.861 377 D CB -0.002 40.848 40.800 0.084 0.000 0.985 377 D HN 0.323 nan 8.370 nan 0.000 0.493 378 L N 1.927 123.166 121.223 0.026 0.000 2.558 378 L HA -0.055 4.304 4.340 0.032 0.000 0.301 378 L C 1.216 178.092 176.870 0.009 0.000 1.267 378 L CA -0.055 54.793 54.840 0.014 0.000 0.854 378 L CB -0.204 41.859 42.059 0.008 0.000 1.103 378 L HN 0.006 nan 8.230 nan 0.000 0.522 379 S N -0.279 115.422 115.700 0.003 0.000 2.593 379 S HA 0.052 4.541 4.470 0.032 0.000 0.269 379 S C 0.577 175.171 174.600 -0.010 0.000 1.334 379 S CA -0.574 57.624 58.200 -0.004 0.000 1.015 379 S CB 1.124 64.321 63.200 -0.006 0.000 0.912 379 S HN 0.628 nan 8.310 nan 0.000 0.541 380 D N 1.628 122.018 120.400 -0.016 0.000 2.170 380 D HA -0.186 4.473 4.640 0.032 0.000 0.193 380 D C 1.774 178.062 176.300 -0.020 0.000 1.004 380 D CA 1.959 55.945 54.000 -0.024 0.000 0.860 380 D CB -0.323 40.460 40.800 -0.030 0.000 0.931 380 D HN 0.591 nan 8.370 nan 0.000 0.448 381 N N 0.885 119.576 118.700 -0.016 0.000 2.000 381 N HA -0.165 4.595 4.740 0.032 0.000 0.198 381 N C 1.391 176.894 175.510 -0.010 0.000 1.057 381 N CA 1.332 54.374 53.050 -0.013 0.000 0.858 381 N CB -0.691 37.789 38.487 -0.011 0.000 1.057 381 N HN 0.194 nan 8.380 nan 0.000 0.423 382 D N 1.005 121.400 120.400 -0.008 0.000 2.149 382 D HA -0.096 4.563 4.640 0.032 0.000 0.194 382 D C 2.157 178.453 176.300 -0.007 0.000 1.001 382 D CA 0.599 54.595 54.000 -0.007 0.000 0.849 382 D CB -0.368 40.429 40.800 -0.004 0.000 0.939 382 D HN 0.301 nan 8.370 nan 0.000 0.449 383 I N 0.419 120.983 120.570 -0.009 0.000 2.110 383 I HA -0.229 3.960 4.170 0.032 0.000 0.236 383 I C 2.246 178.357 176.117 -0.011 0.000 1.068 383 I CA 0.813 62.107 61.300 -0.010 0.000 1.333 383 I CB -0.231 37.760 38.000 -0.015 0.000 1.054 383 I HN -0.044 nan 8.210 nan 0.000 0.402 384 I N 0.906 121.467 120.570 -0.016 0.000 2.502 384 I HA -0.301 3.888 4.170 0.032 0.000 0.258 384 I C 2.064 178.181 176.117 0.000 0.000 1.172 384 I CA 1.034 62.326 61.300 -0.013 0.000 1.430 384 I CB -0.675 37.311 38.000 -0.022 0.000 1.086 384 I HN 0.351 nan 8.210 nan 0.000 0.440 385 N N 1.082 119.780 118.700 -0.003 0.000 2.148 385 N HA 0.022 4.781 4.740 0.032 0.000 0.186 385 N C 1.991 177.497 175.510 -0.006 0.000 1.031 385 N CA 1.188 54.237 53.050 -0.003 0.000 0.848 385 N CB -0.070 38.413 38.487 -0.007 0.000 1.005 385 N HN 0.302 nan 8.380 nan 0.000 0.427 386 I N 0.836 121.401 120.570 -0.009 0.000 2.264 386 I HA -0.219 3.970 4.170 0.032 0.000 0.248 386 I C 2.116 178.229 176.117 -0.007 0.000 1.111 386 I CA 0.727 62.018 61.300 -0.015 0.000 1.382 386 I CB -0.203 37.792 38.000 -0.010 0.000 1.060 386 I HN -0.092 nan 8.210 nan 0.000 0.418 387 V N 1.155 121.073 119.914 0.007 0.000 2.261 387 V HA -0.283 3.856 4.120 0.032 0.000 0.246 387 V C 2.384 178.498 176.094 0.033 0.000 1.047 387 V CA 1.845 64.159 62.300 0.024 0.000 1.015 387 V CB -0.460 31.374 31.823 0.019 0.000 0.642 387 V HN 0.358 nan 8.190 nan 0.000 0.446 388 L N -0.543 120.699 121.223 0.032 0.000 2.093 388 L HA -0.139 4.220 4.340 0.032 0.000 0.208 388 L C 2.707 179.577 176.870 -0.000 0.000 1.085 388 L CA 1.323 56.183 54.840 0.033 0.000 0.755 388 L CB -0.659 41.430 42.059 0.050 0.000 0.904 388 L HN 0.335 nan 8.230 nan 0.000 0.435 389 E N 0.574 120.763 120.200 -0.018 0.000 2.097 389 E HA -0.253 4.116 4.350 0.032 0.000 0.196 389 E C 1.586 178.135 176.600 -0.085 0.000 1.000 389 E CA 1.888 58.258 56.400 -0.051 0.000 0.804 389 E CB 0.028 29.693 29.700 -0.059 0.000 0.740 389 E HN 0.514 nan 8.360 nan 0.000 0.454 390 D N -0.409 119.941 120.400 -0.084 0.000 2.162 390 D HA -0.065 4.594 4.640 0.032 0.000 0.205 390 D C 1.864 178.202 176.300 0.063 0.000 0.964 390 D CA 0.162 54.079 54.000 -0.137 0.000 0.847 390 D CB -0.216 40.515 40.800 -0.116 0.000 0.988 390 D HN 0.040 nan 8.370 nan 0.000 0.480 391 L N 1.120 122.399 121.223 0.093 0.000 2.042 391 L HA -0.149 4.210 4.340 0.032 0.000 0.210 391 L C 1.741 178.648 176.870 0.060 0.000 1.076 391 L CA 1.766 56.680 54.840 0.125 0.000 0.749 391 L CB -0.244 41.858 42.059 0.072 0.000 0.893 391 L HN -0.090 nan 8.230 nan 0.000 0.432 392 K N -0.755 119.646 120.400 0.002 0.000 2.280 392 K HA -0.151 4.189 4.320 0.032 0.000 0.202 392 K C 1.736 178.322 176.600 -0.023 0.000 1.047 392 K CA 0.965 57.231 56.287 -0.035 0.000 0.942 392 K CB -0.051 32.421 32.500 -0.047 0.000 0.739 392 K HN 0.326 nan 8.250 nan 0.000 0.457 393 K N 0.560 120.966 120.400 0.010 0.000 2.515 393 K HA -0.052 4.288 4.320 0.032 0.000 0.196 393 K C 1.044 177.673 176.600 0.048 0.000 1.038 393 K CA 0.956 57.260 56.287 0.027 0.000 0.967 393 K CB 0.307 32.826 32.500 0.033 0.000 0.780 393 K HN 0.105 nan 8.250 nan 0.000 0.483 394 V N -2.237 117.691 119.914 0.023 0.000 3.157 394 V HA 0.365 4.504 4.120 0.032 0.000 0.361 394 V C -0.668 175.353 176.094 -0.122 0.000 1.421 394 V CA -0.815 61.444 62.300 -0.069 0.000 1.213 394 V CB -0.623 31.119 31.823 -0.135 0.000 1.164 394 V HN 0.217 nan 8.190 nan 0.000 0.559 395 M N -1.379 118.161 119.600 -0.100 0.000 2.958 395 M HA 0.554 5.053 4.480 0.032 0.000 0.265 395 M C -2.327 173.896 176.300 -0.128 0.000 0.976 395 M CA -0.472 54.748 55.300 -0.132 0.000 0.792 395 M CB 1.177 33.685 32.600 -0.154 0.000 1.668 395 M HN -0.035 nan 8.290 nan 0.000 0.559 396 N N 1.462 120.077 118.700 -0.141 0.000 2.426 396 N HA 0.654 5.413 4.740 0.032 0.000 0.275 396 N C -1.276 174.123 175.510 -0.185 0.000 1.019 396 N CA -0.294 52.676 53.050 -0.133 0.000 0.941 396 N CB 1.406 39.830 38.487 -0.105 0.000 1.123 396 N HN 0.620 nan 8.380 nan 0.000 0.486 397 I N 2.029 122.490 120.570 -0.182 0.000 2.479 397 I HA 0.222 4.411 4.170 0.032 0.000 0.279 397 I C -0.508 175.521 176.117 -0.147 0.000 1.102 397 I CA -0.715 60.432 61.300 -0.254 0.000 1.196 397 I CB -0.115 37.719 38.000 -0.277 0.000 1.427 397 I HN 0.338 nan 8.210 nan 0.000 0.503 398 N N 4.932 123.559 118.700 -0.122 0.000 2.416 398 N HA 0.482 5.241 4.740 0.032 0.000 0.265 398 N C 0.639 176.140 175.510 -0.016 0.000 1.195 398 N CA 0.557 53.573 53.050 -0.056 0.000 0.943 398 N CB 0.871 39.331 38.487 -0.045 0.000 1.115 398 N HN 0.813 nan 8.380 nan 0.000 0.481 399 G N 1.046 109.854 108.800 0.014 0.000 2.500 399 G HA2 -0.132 3.847 3.960 0.032 0.000 0.209 399 G HA3 -0.132 3.847 3.960 0.032 0.000 0.209 399 G C -1.344 173.622 174.900 0.110 0.000 1.283 399 G CA -0.774 44.362 45.100 0.061 0.000 0.960 399 G HN 0.408 nan 8.290 nan 0.000 0.528 400 E N 0.124 120.415 120.200 0.151 0.000 2.336 400 E HA 0.584 4.953 4.350 0.032 0.000 0.267 400 E C -2.556 174.157 176.600 0.188 0.000 0.906 400 E CA -1.551 54.953 56.400 0.174 0.000 0.781 400 E CB 1.733 31.479 29.700 0.077 0.000 1.261 400 E HN 0.286 nan 8.360 nan 0.000 0.436 401 P HA 0.005 nan 4.420 nan 0.000 0.267 401 P C 0.668 177.831 177.300 -0.228 0.000 1.209 401 P CA 0.323 63.167 63.100 -0.428 0.000 0.763 401 P CB 0.489 31.910 31.700 -0.466 0.000 0.816 402 E N 3.977 124.049 120.200 -0.214 0.000 2.046 402 E HA -0.096 4.273 4.350 0.032 0.000 0.190 402 E C 0.506 177.067 176.600 -0.065 0.000 0.982 402 E CA 0.761 57.118 56.400 -0.070 0.000 0.800 402 E CB 0.013 29.713 29.700 0.000 0.000 0.756 402 E HN 0.256 nan 8.360 nan 0.000 0.449 403 M N 1.614 121.153 119.600 -0.103 0.000 2.383 403 M HA 0.347 4.846 4.480 0.032 0.000 0.325 403 M C -1.537 174.647 176.300 -0.194 0.000 1.092 403 M CA -0.233 55.024 55.300 -0.072 0.000 0.961 403 M CB 2.010 34.663 32.600 0.087 0.000 1.672 403 M HN -0.059 nan 8.290 nan 0.000 0.438 404 T N 4.157 118.629 114.554 -0.137 0.000 2.937 404 T HA 0.428 4.797 4.350 0.032 0.000 0.297 404 T C -1.630 173.005 174.700 -0.108 0.000 0.991 404 T CA -0.401 61.612 62.100 -0.144 0.000 0.990 404 T CB 0.988 69.786 68.868 -0.116 0.000 0.991 404 T HN 0.782 nan 8.240 nan 0.000 0.440 405 C N 5.688 124.915 119.300 -0.121 0.000 2.407 405 C HA 0.749 5.228 4.460 0.032 0.000 0.328 405 C C -0.090 174.845 174.990 -0.092 0.000 1.137 405 C CA -0.252 58.709 59.018 -0.095 0.000 1.390 405 C CB -1.055 26.631 27.740 -0.091 0.000 1.989 405 C HN 0.761 nan 8.230 nan 0.000 0.432 406 V N 4.467 124.333 119.914 -0.080 0.000 2.997 406 V HA 0.846 4.985 4.120 0.032 0.000 0.311 406 V C 0.513 176.555 176.094 -0.086 0.000 1.066 406 V CA 0.052 62.306 62.300 -0.077 0.000 1.039 406 V CB 2.069 33.854 31.823 -0.064 0.000 1.081 406 V HN 0.904 nan 8.190 nan 0.000 0.467 407 T N 3.023 117.521 114.554 -0.093 0.000 3.767 407 T HA 0.496 4.866 4.350 0.032 0.000 0.360 407 T C -0.953 173.624 174.700 -0.205 0.000 1.181 407 T CA -0.849 61.151 62.100 -0.167 0.000 1.110 407 T CB 0.807 69.591 68.868 -0.140 0.000 1.201 407 T HN 0.596 nan 8.240 nan 0.000 0.474 408 R N 2.779 123.106 120.500 -0.289 0.000 2.536 408 R HA 0.739 5.098 4.340 0.032 0.000 0.279 408 R C -1.087 174.937 176.300 -0.460 0.000 1.001 408 R CA -0.504 55.462 56.100 -0.224 0.000 1.027 408 R CB 0.891 31.140 30.300 -0.084 0.000 1.096 408 R HN 0.679 nan 8.270 nan 0.000 0.502 409 W N 1.134 122.415 121.300 -0.032 0.000 2.481 409 W HA 0.296 4.974 4.660 0.031 0.000 0.285 409 W C 0.281 176.771 176.519 -0.049 0.000 1.017 409 W CA -0.427 56.922 57.345 0.006 0.000 1.499 409 W CB 0.529 29.999 29.460 0.017 0.000 1.381 409 W HN 0.763 nan 8.180 nan 0.000 0.390 410 H N 1.051 120.217 119.070 0.161 0.000 2.267 410 H HA -0.088 4.487 4.556 0.032 0.000 0.297 410 H C 0.337 175.740 175.328 0.125 0.000 1.080 410 H CA 1.843 57.960 56.048 0.116 0.000 1.278 410 H CB 0.419 30.216 29.762 0.059 0.000 1.365 410 H HN 0.285 nan 8.280 nan 0.000 0.489 411 E N -0.649 119.685 120.200 0.225 0.000 3.386 411 E HA 0.236 4.605 4.350 0.032 0.000 0.236 411 E C -0.436 176.236 176.600 0.119 0.000 1.227 411 E CA -0.076 56.415 56.400 0.153 0.000 0.970 411 E CB 1.438 31.221 29.700 0.139 0.000 1.343 411 E HN 0.159 nan 8.360 nan 0.000 0.397 412 S N 0.624 116.409 115.700 0.143 0.000 2.559 412 S HA 0.199 4.688 4.470 0.032 0.000 0.226 412 S C 0.464 175.065 174.600 0.002 0.000 1.000 412 S CA -0.272 57.993 58.200 0.108 0.000 0.948 412 S CB 0.387 63.743 63.200 0.261 0.000 0.870 412 S HN 0.308 nan 8.310 nan 0.000 0.497 413 M N 2.921 122.529 119.600 0.013 0.000 2.208 413 M HA 0.411 4.910 4.480 0.032 0.000 0.352 413 M C -3.130 173.174 176.300 0.006 0.000 1.137 413 M CA -3.225 52.057 55.300 -0.031 0.000 1.091 413 M CB 0.037 32.617 32.600 -0.034 0.000 1.309 413 M HN -0.238 nan 8.290 nan 0.000 0.408 414 P HA 0.024 nan 4.420 nan 0.000 0.264 414 P C -0.439 176.810 177.300 -0.085 0.000 1.193 414 P CA 0.275 63.395 63.100 0.033 0.000 0.763 414 P CB 0.504 32.229 31.700 0.043 0.000 0.810 415 Q N 2.750 122.544 119.800 -0.011 0.000 2.347 415 Q HA 0.274 4.633 4.340 0.032 0.000 0.262 415 Q C -0.793 175.213 176.000 0.010 0.000 0.980 415 Q CA -0.443 55.357 55.803 -0.006 0.000 0.867 415 Q CB 0.979 29.804 28.738 0.144 0.000 1.242 415 Q HN 0.432 nan 8.270 nan 0.000 0.453 416 Y N 2.685 122.877 120.300 -0.179 0.000 2.477 416 Y HA 0.256 4.826 4.550 0.032 0.000 0.349 416 Y C 0.831 176.726 175.900 -0.008 0.000 0.977 416 Y CA -0.613 57.233 58.100 -0.423 0.000 1.214 416 Y CB 0.110 38.245 38.460 -0.541 0.000 1.124 416 Y HN 0.446 nan 8.280 nan 0.000 0.521 417 H N 0.420 119.498 119.070 0.015 0.000 2.500 417 H HA 0.374 4.949 4.556 0.032 0.000 0.351 417 H C -0.265 175.092 175.328 0.047 0.000 1.281 417 H CA -1.382 54.686 56.048 0.033 0.000 1.368 417 H CB 1.442 31.233 29.762 0.049 0.000 1.616 417 H HN 0.194 nan 8.280 nan 0.000 0.591 418 V N 1.081 121.082 119.914 0.144 0.000 2.644 418 V HA -0.057 4.083 4.120 0.032 0.000 0.305 418 V C 1.311 177.449 176.094 0.074 0.000 1.053 418 V CA 1.781 64.133 62.300 0.086 0.000 1.186 418 V CB 0.170 32.025 31.823 0.054 0.000 0.895 418 V HN 1.197 nan 8.190 nan 0.000 0.490 419 G N 3.149 111.972 108.800 0.039 0.000 2.175 419 G HA2 -0.322 3.657 3.960 0.032 0.000 0.244 419 G HA3 -0.322 3.657 3.960 0.032 0.000 0.244 419 G C 0.725 175.596 174.900 -0.047 0.000 0.982 419 G CA 0.757 45.845 45.100 -0.020 0.000 0.641 419 G HN 1.060 nan 8.290 nan 0.000 0.527 420 H N 0.896 119.908 119.070 -0.096 0.000 2.319 420 H HA -0.014 4.561 4.556 0.032 0.000 0.297 420 H C 2.497 177.707 175.328 -0.198 0.000 1.097 420 H CA 2.392 58.342 56.048 -0.164 0.000 1.285 420 H CB 0.031 29.691 29.762 -0.169 0.000 1.368 420 H HN 0.396 nan 8.280 nan 0.000 0.495 421 K N -0.304 119.980 120.400 -0.193 0.000 2.057 421 K HA -0.156 4.183 4.320 0.032 0.000 0.207 421 K C 2.247 178.716 176.600 -0.218 0.000 1.049 421 K CA 1.254 57.401 56.287 -0.233 0.000 0.931 421 K CB 0.037 32.460 32.500 -0.129 0.000 0.714 421 K HN 0.374 nan 8.250 nan 0.000 0.440 422 Q N 0.722 120.413 119.800 -0.183 0.000 2.050 422 Q HA -0.125 4.235 4.340 0.032 0.000 0.202 422 Q C 2.082 177.961 176.000 -0.202 0.000 0.980 422 Q CA 1.464 57.172 55.803 -0.159 0.000 0.840 422 Q CB -0.123 28.535 28.738 -0.133 0.000 0.898 422 Q HN 0.274 nan 8.270 nan 0.000 0.424 423 R N -0.161 120.144 120.500 -0.324 0.000 2.091 423 R HA -0.091 4.268 4.340 0.032 0.000 0.238 423 R C 2.267 178.426 176.300 -0.234 0.000 1.136 423 R CA 1.030 56.830 56.100 -0.500 0.000 0.959 423 R CB -0.249 29.569 30.300 -0.805 0.000 0.856 423 R HN 0.246 nan 8.270 nan 0.000 0.437 424 I N 1.216 121.608 120.570 -0.297 0.000 2.394 424 I HA -0.237 3.952 4.170 0.032 0.000 0.251 424 I C 2.344 178.439 176.117 -0.035 0.000 1.136 424 I CA 1.322 62.527 61.300 -0.158 0.000 1.425 424 I CB -0.800 37.027 38.000 -0.289 0.000 1.079 424 I HN 0.198 nan 8.210 nan 0.000 0.425 425 K N 1.267 121.622 120.400 -0.076 0.000 2.026 425 K HA -0.190 4.149 4.320 0.032 0.000 0.208 425 K C 1.953 178.553 176.600 -0.001 0.000 1.048 425 K CA 1.457 57.722 56.287 -0.037 0.000 0.929 425 K CB 0.050 32.517 32.500 -0.055 0.000 0.713 425 K HN 0.298 nan 8.250 nan 0.000 0.439 426 E N 0.626 120.832 120.200 0.010 0.000 2.070 426 E HA -0.237 4.132 4.350 0.032 0.000 0.197 426 E C 2.005 178.649 176.600 0.072 0.000 1.004 426 E CA 1.250 57.684 56.400 0.056 0.000 0.805 426 E CB -0.173 29.599 29.700 0.120 0.000 0.744 426 E HN 0.183 nan 8.360 nan 0.000 0.451 427 L N 1.296 122.583 121.223 0.107 0.000 2.017 427 L HA -0.163 4.196 4.340 0.032 0.000 0.208 427 L C 2.165 179.064 176.870 0.048 0.000 1.073 427 L CA 1.759 56.656 54.840 0.096 0.000 0.745 427 L CB -0.350 41.805 42.059 0.159 0.000 0.894 427 L HN -0.128 nan 8.230 nan 0.000 0.432 428 R N 0.159 120.682 120.500 0.038 0.000 2.083 428 R HA -0.132 4.227 4.340 0.032 0.000 0.237 428 R C 2.268 178.568 176.300 0.000 0.000 1.137 428 R CA 1.780 57.881 56.100 0.001 0.000 0.951 428 R CB -0.503 29.798 30.300 0.001 0.000 0.851 428 R HN 0.528 nan 8.270 nan 0.000 0.434 429 E N -0.538 119.670 120.200 0.013 0.000 2.051 429 E HA -0.186 4.183 4.350 0.032 0.000 0.192 429 E C 1.977 178.586 176.600 0.015 0.000 0.991 429 E CA 1.273 57.681 56.400 0.013 0.000 0.799 429 E CB -0.194 29.515 29.700 0.014 0.000 0.748 429 E HN 0.400 nan 8.360 nan 0.000 0.449 430 A N 1.125 123.959 122.820 0.023 0.000 1.892 430 A HA -0.205 4.134 4.320 0.032 0.000 0.218 430 A C 2.185 179.799 177.584 0.051 0.000 1.188 430 A CA 1.282 53.339 52.037 0.033 0.000 0.631 430 A CB -0.742 18.278 19.000 0.033 0.000 0.822 430 A HN 0.175 nan 8.150 nan 0.000 0.447 431 L N -1.062 120.178 121.223 0.029 0.000 2.141 431 L HA -0.170 4.190 4.340 0.032 0.000 0.209 431 L C 3.046 179.905 176.870 -0.019 0.000 1.094 431 L CA 0.844 55.697 54.840 0.021 0.000 0.763 431 L CB -0.474 41.526 42.059 -0.098 0.000 0.908 431 L HN 0.471 nan 8.230 nan 0.000 0.437 432 A N -0.170 122.631 122.820 -0.032 0.000 1.898 432 A HA -0.193 4.146 4.320 0.032 0.000 0.216 432 A C 2.501 180.085 177.584 0.000 0.000 1.181 432 A CA 1.922 53.942 52.037 -0.029 0.000 0.620 432 A CB -0.486 18.518 19.000 0.007 0.000 0.819 432 A HN 0.489 nan 8.150 nan 0.000 0.442 433 S N -1.341 114.363 115.700 0.006 0.000 2.478 433 S HA 0.411 4.900 4.470 0.032 0.000 0.222 433 S C 1.602 176.183 174.600 -0.030 0.000 1.008 433 S CA 0.919 59.118 58.200 -0.002 0.000 0.928 433 S CB 0.056 63.255 63.200 -0.002 0.000 0.781 433 S HN 0.829 nan 8.310 nan 0.000 0.518 434 A N -0.599 122.205 122.820 -0.027 0.000 2.324 434 A HA 0.529 4.868 4.320 0.032 0.000 0.220 434 A C 0.166 177.531 177.584 -0.364 0.000 1.209 434 A CA -0.158 51.789 52.037 -0.151 0.000 0.918 434 A CB 0.136 19.089 19.000 -0.078 0.000 0.959 434 A HN 0.525 nan 8.150 nan 0.000 0.507 435 Y N 0.733 121.027 120.300 -0.010 0.000 2.624 435 Y HA 0.241 4.810 4.550 0.032 0.000 0.302 435 Y C -2.598 173.246 175.900 -0.093 0.000 0.939 435 Y CA -2.669 55.440 58.100 0.016 0.000 1.116 435 Y CB 0.872 39.264 38.460 -0.114 0.000 1.173 435 Y HN 0.153 nan 8.280 nan 0.000 0.631 436 P HA 0.068 nan 4.420 nan 0.000 0.262 436 P C 1.020 178.066 177.300 -0.423 0.000 1.182 436 P CA 1.836 64.888 63.100 -0.081 0.000 0.761 436 P CB 1.348 33.153 31.700 0.175 0.000 0.795 437 G N 1.487 109.667 108.800 -1.033 0.000 2.213 437 G HA2 -0.192 3.787 3.960 0.032 0.000 0.236 437 G HA3 -0.192 3.787 3.960 0.032 0.000 0.236 437 G C -0.105 174.293 174.900 -0.836 0.000 0.991 437 G CA -0.076 44.245 45.100 -1.298 0.000 0.629 437 G HN 0.562 nan 8.290 nan 0.000 0.517 438 V N 1.089 120.433 119.914 -0.951 0.000 2.481 438 V HA 0.732 4.871 4.120 0.032 0.000 0.286 438 V C -0.332 175.117 176.094 -1.075 0.000 1.042 438 V CA -0.494 61.326 62.300 -0.800 0.000 0.928 438 V CB 1.090 32.532 31.823 -0.633 0.000 0.986 438 V HN 0.272 nan 8.190 nan 0.000 0.462 439 Y N 3.775 123.918 120.300 -0.262 0.000 2.457 439 Y HA 0.653 5.222 4.550 0.032 0.000 0.343 439 Y C -0.066 175.665 175.900 -0.281 0.000 0.994 439 Y CA -0.845 57.105 58.100 -0.249 0.000 1.031 439 Y CB 2.065 40.397 38.460 -0.213 0.000 1.246 439 Y HN 0.431 nan 8.280 nan 0.000 0.449 440 M N 4.215 123.653 119.600 -0.269 0.000 2.134 440 M HA 0.605 5.104 4.480 0.032 0.000 0.310 440 M C -0.865 174.817 176.300 -1.030 0.000 0.966 440 M CA -0.382 54.633 55.300 -0.475 0.000 0.922 440 M CB 1.871 34.245 32.600 -0.377 0.000 1.537 440 M HN 0.843 nan 8.290 nan 0.000 0.424 441 T N -0.329 113.866 114.554 -0.599 0.000 2.778 441 T HA 1.008 5.377 4.350 0.032 0.000 0.293 441 T C -0.071 174.696 174.700 0.112 0.000 1.144 441 T CA -0.395 61.452 62.100 -0.421 0.000 1.010 441 T CB 2.264 71.024 68.868 -0.181 0.000 1.325 441 T HN 1.037 nan 8.240 nan 0.000 0.515 442 G N -0.716 108.243 108.800 0.265 0.000 2.334 442 G HA2 0.476 4.455 3.960 0.032 0.000 0.315 442 G HA3 0.476 4.455 3.960 0.032 0.000 0.315 442 G C 0.649 175.745 174.900 0.328 0.000 1.284 442 G CA -0.115 45.146 45.100 0.268 0.000 0.985 442 G HN 1.494 nan 8.290 nan 0.000 0.504 443 A N -0.514 122.444 122.820 0.229 0.000 2.186 443 A HA 0.232 4.571 4.320 0.032 0.000 0.219 443 A C 2.353 180.112 177.584 0.291 0.000 1.159 443 A CA 2.798 54.964 52.037 0.214 0.000 0.680 443 A CB -0.456 18.608 19.000 0.107 0.000 0.787 443 A HN 1.392 nan 8.150 nan 0.000 0.467 444 S N -1.563 114.297 115.700 0.265 0.000 2.558 444 S HA 0.230 4.719 4.470 0.032 0.000 0.217 444 S C 0.881 175.424 174.600 -0.094 0.000 0.975 444 S CA 0.310 58.590 58.200 0.134 0.000 0.912 444 S CB -0.250 62.933 63.200 -0.028 0.000 0.776 444 S HN 0.587 nan 8.310 nan 0.000 0.526 445 F N 1.420 121.514 119.950 0.240 0.000 2.414 445 F HA 0.331 4.877 4.527 0.032 0.000 0.255 445 F C 0.814 176.619 175.800 0.009 0.000 1.032 445 F CA -0.196 57.860 58.000 0.093 0.000 1.049 445 F CB 0.146 39.169 39.000 0.037 0.000 1.140 445 F HN -0.051 nan 8.300 nan 0.000 0.643 446 E N 0.035 120.406 120.200 0.285 0.000 3.167 446 E HA 0.494 4.863 4.350 0.032 0.000 0.212 446 E C -0.806 175.952 176.600 0.262 0.000 1.143 446 E CA -0.391 56.114 56.400 0.175 0.000 1.002 446 E CB 0.889 30.654 29.700 0.108 0.000 1.315 446 E HN 0.530 nan 8.360 nan 0.000 0.422 447 G N 0.161 109.233 108.800 0.453 0.000 3.326 447 G HA2 -0.142 3.837 3.960 0.032 0.000 0.681 447 G HA3 -0.142 3.837 3.960 0.032 0.000 0.681 447 G C 0.274 175.323 174.900 0.248 0.000 1.255 447 G CA -0.408 44.889 45.100 0.328 0.000 0.976 447 G HN 0.389 nan 8.290 nan 0.000 0.563 448 V N 0.890 120.879 119.914 0.126 0.000 3.354 448 V HA 0.566 4.705 4.120 0.032 0.000 0.258 448 V C 1.643 177.738 176.094 0.002 0.000 1.159 448 V CA 1.451 63.766 62.300 0.025 0.000 1.125 448 V CB -0.262 31.498 31.823 -0.105 0.000 0.774 448 V HN 1.856 nan 8.190 nan 0.000 0.464 449 G N 0.082 108.892 108.800 0.016 0.000 2.432 449 G HA2 0.328 4.307 3.960 0.032 0.000 0.239 449 G HA3 0.328 4.307 3.960 0.032 0.000 0.239 449 G C 0.767 175.687 174.900 0.033 0.000 1.291 449 G CA -0.086 45.025 45.100 0.020 0.000 0.863 449 G HN 0.285 nan 8.290 nan 0.000 0.560 450 I N 2.610 123.200 120.570 0.033 0.000 2.145 450 I HA -0.187 4.002 4.170 0.032 0.000 0.244 450 I C -0.131 175.972 176.117 -0.025 0.000 1.075 450 I CA 1.426 62.731 61.300 0.009 0.000 1.332 450 I CB -0.901 37.110 38.000 0.020 0.000 1.033 450 I HN 0.374 nan 8.210 nan 0.000 0.410 451 P HA -0.170 nan 4.420 nan 0.000 0.213 451 P C 1.112 178.408 177.300 -0.008 0.000 1.170 451 P CA 1.612 64.677 63.100 -0.059 0.000 0.898 451 P CB -0.115 31.567 31.700 -0.029 0.000 0.787 452 D N -0.960 119.458 120.400 0.029 0.000 2.172 452 D HA -0.175 4.484 4.640 0.032 0.000 0.196 452 D C 1.915 178.249 176.300 0.058 0.000 0.999 452 D CA 1.165 55.197 54.000 0.054 0.000 0.856 452 D CB -0.743 40.111 40.800 0.090 0.000 0.934 452 D HN 0.196 nan 8.370 nan 0.000 0.453 453 C N 0.638 119.971 119.300 0.055 0.000 2.440 453 C HA -0.032 4.447 4.460 0.032 0.000 0.278 453 C C 2.896 177.916 174.990 0.049 0.000 1.295 453 C CA -0.242 58.814 59.018 0.062 0.000 1.738 453 C CB -0.893 26.880 27.740 0.056 0.000 1.987 453 C HN 0.336 nan 8.230 nan 0.000 0.492 454 I N 2.286 122.874 120.570 0.031 0.000 2.142 454 I HA -0.213 3.976 4.170 0.032 0.000 0.240 454 I C 2.156 178.304 176.117 0.052 0.000 1.078 454 I CA 2.087 63.418 61.300 0.051 0.000 1.343 454 I CB -0.636 37.379 38.000 0.026 0.000 1.046 454 I HN 0.409 nan 8.210 nan 0.000 0.405 455 D N 0.374 120.782 120.400 0.013 0.000 2.183 455 D HA -0.194 4.466 4.640 0.032 0.000 0.203 455 D C 1.994 178.290 176.300 -0.007 0.000 0.969 455 D CA 0.860 54.851 54.000 -0.015 0.000 0.842 455 D CB -0.688 40.094 40.800 -0.030 0.000 0.957 455 D HN 0.404 nan 8.370 nan 0.000 0.484 456 Q N 0.311 120.120 119.800 0.016 0.000 2.152 456 Q HA -0.083 4.276 4.340 0.032 0.000 0.206 456 Q C 2.292 178.288 176.000 -0.007 0.000 0.985 456 Q CA 1.576 57.385 55.803 0.010 0.000 0.863 456 Q CB -0.386 28.382 28.738 0.049 0.000 0.904 456 Q HN 0.515 nan 8.270 nan 0.000 0.422 457 G N 0.589 109.403 108.800 0.023 0.000 2.430 457 G HA2 -0.170 3.809 3.960 0.032 0.000 0.216 457 G HA3 -0.170 3.809 3.960 0.032 0.000 0.216 457 G C 1.296 176.216 174.900 0.035 0.000 1.146 457 G CA 0.220 45.340 45.100 0.034 0.000 0.793 457 G HN 0.157 nan 8.290 nan 0.000 0.537 458 K N 0.391 120.807 120.400 0.027 0.000 2.057 458 K HA 0.100 4.439 4.320 0.032 0.000 0.206 458 K C 2.923 179.484 176.600 -0.064 0.000 1.050 458 K CA 0.916 57.190 56.287 -0.021 0.000 0.935 458 K CB -0.154 32.271 32.500 -0.124 0.000 0.715 458 K HN 0.233 nan 8.250 nan 0.000 0.439 459 A N 1.360 124.135 122.820 -0.074 0.000 1.933 459 A HA -0.127 4.212 4.320 0.032 0.000 0.218 459 A C 2.304 179.794 177.584 -0.158 0.000 1.175 459 A CA 1.828 53.803 52.037 -0.102 0.000 0.628 459 A CB -0.616 18.332 19.000 -0.086 0.000 0.814 459 A HN 0.352 nan 8.150 nan 0.000 0.444 460 A N -0.375 122.357 122.820 -0.146 0.000 1.877 460 A HA -0.035 4.304 4.320 0.032 0.000 0.216 460 A C 2.221 179.667 177.584 -0.230 0.000 1.186 460 A CA 1.872 53.776 52.037 -0.222 0.000 0.620 460 A CB -1.037 17.890 19.000 -0.121 0.000 0.822 460 A HN 0.435 nan 8.150 nan 0.000 0.443 461 V N -0.265 119.583 119.914 -0.109 0.000 2.332 461 V HA -0.252 3.887 4.120 0.032 0.000 0.248 461 V C 2.794 178.833 176.094 -0.092 0.000 1.055 461 V CA 2.375 64.636 62.300 -0.064 0.000 1.038 461 V CB -1.053 30.779 31.823 0.015 0.000 0.651 461 V HN 0.677 nan 8.190 nan 0.000 0.450 462 S N -0.136 115.500 115.700 -0.107 0.000 2.351 462 S HA -0.271 4.218 4.470 0.032 0.000 0.220 462 S C 1.837 176.351 174.600 -0.144 0.000 1.035 462 S CA 2.086 60.227 58.200 -0.097 0.000 1.031 462 S CB -0.551 62.592 63.200 -0.095 0.000 0.928 462 S HN 0.679 nan 8.310 nan 0.000 0.433 463 D N 1.468 121.700 120.400 -0.280 0.000 2.104 463 D HA -0.095 4.564 4.640 0.032 0.000 0.194 463 D C 2.292 178.362 176.300 -0.383 0.000 0.994 463 D CA 1.419 55.167 54.000 -0.420 0.000 0.830 463 D CB -0.778 39.500 40.800 -0.869 0.000 0.959 463 D HN 0.521 nan 8.370 nan 0.000 0.452 464 A N 1.007 123.558 122.820 -0.449 0.000 1.908 464 A HA -0.169 4.170 4.320 0.032 0.000 0.218 464 A C 2.476 180.064 177.584 0.007 0.000 1.181 464 A CA 1.130 53.089 52.037 -0.131 0.000 0.627 464 A CB -0.819 18.127 19.000 -0.090 0.000 0.818 464 A HN 0.193 nan 8.150 nan 0.000 0.445 465 L N -1.211 120.002 121.223 -0.017 0.000 2.005 465 L HA -0.156 4.203 4.340 0.032 0.000 0.207 465 L C 2.835 179.734 176.870 0.048 0.000 1.072 465 L CA 1.813 56.677 54.840 0.040 0.000 0.744 465 L CB -1.244 40.889 42.059 0.123 0.000 0.895 465 L HN 0.335 nan 8.230 nan 0.000 0.433 466 T N -0.813 113.772 114.554 0.052 0.000 2.649 466 T HA -0.334 4.035 4.350 0.032 0.000 0.268 466 T C 1.690 176.438 174.700 0.080 0.000 1.036 466 T CA 2.250 64.389 62.100 0.065 0.000 1.157 466 T CB -0.535 68.360 68.868 0.045 0.000 0.861 466 T HN 0.387 nan 8.240 nan 0.000 0.445 467 Y N 1.240 121.533 120.300 -0.011 0.000 2.181 467 Y HA -0.059 4.510 4.550 0.032 0.000 0.288 467 Y C 2.029 177.884 175.900 -0.074 0.000 1.146 467 Y CA 1.185 59.294 58.100 0.015 0.000 1.164 467 Y CB -0.369 38.163 38.460 0.119 0.000 0.982 467 Y HN 0.149 nan 8.280 nan 0.000 0.515 468 L N -1.608 119.536 121.223 -0.132 0.000 2.072 468 L HA -0.119 4.240 4.340 0.032 0.000 0.205 468 L C 1.340 177.824 176.870 -0.644 0.000 1.079 468 L CA 1.052 55.574 54.840 -0.530 0.000 0.752 468 L CB -0.327 41.229 42.059 -0.838 0.000 0.906 468 L HN 0.213 nan 8.230 nan 0.000 0.436 469 F N -1.907 118.038 119.950 -0.008 0.000 2.373 469 F HA 0.221 4.767 4.527 0.032 0.000 0.253 469 F C 1.786 177.571 175.800 -0.024 0.000 0.954 469 F CA -0.609 57.380 58.000 -0.018 0.000 1.136 469 F CB -1.020 37.979 39.000 -0.001 0.000 1.342 469 F HN -0.300 nan 8.300 nan 0.000 0.701 470 S N 0.000 115.828 115.700 0.213 0.000 2.498 470 S HA 0.000 4.489 4.470 0.032 0.000 0.327 470 S CA 0.000 58.263 58.200 0.105 0.000 1.107 470 S CB 0.000 63.251 63.200 0.084 0.000 0.593 470 S HN 0.000 nan 8.310 nan 0.000 0.517