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 1wsr_1_A DATA FIRST_RESID 4 DATA SEQUENCE VLRRTPLYDF HLAHGGKMVA FAGWSLPVQY RDSHTDSHLH TRQHCSLFDV DATA SEQUENCE SHMLQTKILG SDRVKLMESL VVGDIAELRP NQGTLSLFTN EAGGILDDLI DATA SEQUENCE VTNTSEGHLY VVSNAGCWEK DLALMQDKVR ELQNQGRDVG LEVLDNALLA DATA SEQUENCE LQGPTAAQVL QAGVADDLRK LPFMTSAVME VFGVSGCRVT RCGYTGEDGV DATA SEQUENCE EISVPVAGAV HLATAILKNP EVKLAGLAAR DSLRLEAGLC LYGNDIDEHT DATA SEQUENCE TPVEGSLSWT LGKRRRAAMD FPGAKVIVPQ LKGRVQRRRV GLMCEGAPMR DATA SEQUENCE AHSPILNMEG TKIGTVTSGC PSPSLKKNVA MGYVPCEYSR PGTMLLVEVR DATA SEQUENCE RKQQMAVVSK MPFVPTNYYT L 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 4 V HA 0.000 nan 4.120 nan 0.000 0.244 4 V C 0.000 176.048 176.094 -0.077 0.000 1.182 4 V CA 0.000 62.270 62.300 -0.050 0.000 1.235 4 V CB 0.000 31.788 31.823 -0.059 0.000 1.184 5 L N 3.981 125.160 121.223 -0.072 0.000 2.350 5 L HA 0.580 4.919 4.340 -0.001 0.000 0.275 5 L C 0.785 177.542 176.870 -0.190 0.000 1.099 5 L CA -0.429 54.354 54.840 -0.095 0.000 0.808 5 L CB 0.903 42.961 42.059 -0.002 0.000 1.149 5 L HN 0.587 nan 8.230 nan 0.000 0.442 6 R N 2.172 122.457 120.500 -0.358 0.000 2.582 6 R HA 0.466 4.806 4.340 -0.001 0.000 0.271 6 R C -0.650 175.533 176.300 -0.195 0.000 1.078 6 R CA -0.534 55.240 56.100 -0.542 0.000 1.127 6 R CB 0.743 30.211 30.300 -1.388 0.000 1.038 6 R HN 0.538 nan 8.270 nan 0.000 0.500 7 R N 0.341 120.798 120.500 -0.073 0.000 2.599 7 R HA 0.240 4.579 4.340 -0.001 0.000 0.295 7 R C -0.151 176.399 176.300 0.417 0.000 0.963 7 R CA -0.665 55.530 56.100 0.157 0.000 0.883 7 R CB 2.004 32.171 30.300 -0.221 0.000 1.171 7 R HN 0.706 nan 8.270 nan 0.000 0.450 8 T N -1.099 113.762 114.554 0.511 0.000 2.788 8 T HA 0.224 4.574 4.350 -0.001 0.000 0.280 8 T C -1.720 173.148 174.700 0.279 0.000 0.984 8 T CA -1.595 60.735 62.100 0.384 0.000 0.972 8 T CB 0.983 70.004 68.868 0.256 0.000 1.039 8 T HN 0.229 nan 8.240 nan 0.000 0.530 9 P HA 0.118 nan 4.420 nan 0.000 0.225 9 P C 0.939 178.301 177.300 0.103 0.000 1.148 9 P CA 0.751 63.925 63.100 0.123 0.000 0.779 9 P CB -0.040 31.700 31.700 0.067 0.000 0.780 10 L N -3.328 117.953 121.223 0.096 0.000 2.628 10 L HA 0.089 4.429 4.340 -0.001 0.000 0.229 10 L C 1.921 178.840 176.870 0.081 0.000 1.137 10 L CA -0.146 54.672 54.840 -0.037 0.000 0.909 10 L CB -0.562 41.310 42.059 -0.311 0.000 1.137 10 L HN -0.041 nan 8.230 nan 0.000 0.470 11 Y N 1.930 122.340 120.300 0.185 0.000 2.030 11 Y HA -0.393 4.157 4.550 -0.000 0.000 0.272 11 Y C 2.225 178.253 175.900 0.213 0.000 1.185 11 Y CA 2.204 60.467 58.100 0.272 0.000 1.120 11 Y CB -0.050 38.531 38.460 0.200 0.000 0.955 11 Y HN 0.301 nan 8.280 nan 0.000 0.495 12 D N -0.682 119.816 120.400 0.162 0.000 2.178 12 D HA -0.205 4.435 4.640 -0.001 0.000 0.202 12 D C 2.074 178.381 176.300 0.012 0.000 0.974 12 D CA 1.451 55.470 54.000 0.033 0.000 0.841 12 D CB -0.675 40.202 40.800 0.129 0.000 0.953 12 D HN 0.457 nan 8.370 nan 0.000 0.478 13 F N 2.042 121.937 119.950 -0.092 0.000 2.102 13 F HA -0.231 4.296 4.527 -0.001 0.000 0.298 13 F C 2.437 178.228 175.800 -0.016 0.000 1.105 13 F CA 1.569 59.511 58.000 -0.098 0.000 1.239 13 F CB -0.157 38.766 39.000 -0.128 0.000 0.991 13 F HN -0.025 nan 8.300 nan 0.000 0.474 14 H N 0.565 119.768 119.070 0.222 0.000 2.293 14 H HA -0.136 4.419 4.556 -0.001 0.000 0.300 14 H C 2.525 177.840 175.328 -0.022 0.000 1.082 14 H CA 2.089 58.238 56.048 0.168 0.000 1.308 14 H CB -0.906 28.915 29.762 0.099 0.000 1.375 14 H HN 0.334 nan 8.280 nan 0.000 0.495 15 L N 0.186 121.380 121.223 -0.048 0.000 2.046 15 L HA -0.140 4.200 4.340 -0.001 0.000 0.208 15 L C 2.840 179.634 176.870 -0.128 0.000 1.077 15 L CA 0.941 55.703 54.840 -0.130 0.000 0.747 15 L CB -0.511 41.411 42.059 -0.228 0.000 0.896 15 L HN 0.212 nan 8.230 nan 0.000 0.432 16 A N -1.270 121.421 122.820 -0.214 0.000 2.019 16 A HA -0.196 4.124 4.320 -0.001 0.000 0.219 16 A C 1.636 178.971 177.584 -0.414 0.000 1.164 16 A CA 1.286 53.122 52.037 -0.335 0.000 0.644 16 A CB -0.583 18.140 19.000 -0.462 0.000 0.805 16 A HN 0.456 nan 8.150 nan 0.000 0.449 17 H N -1.224 117.740 119.070 -0.177 0.000 2.524 17 H HA 0.317 4.873 4.556 -0.001 0.000 0.299 17 H C 1.438 176.790 175.328 0.041 0.000 1.074 17 H CA 0.290 56.247 56.048 -0.152 0.000 1.115 17 H CB -0.311 29.243 29.762 -0.346 0.000 1.522 17 H HN 0.591 nan 8.280 nan 0.000 0.543 18 G N 0.720 109.577 108.800 0.095 0.000 2.143 18 G HA2 -0.246 3.713 3.960 -0.001 0.000 0.248 18 G HA3 -0.246 3.713 3.960 -0.001 0.000 0.248 18 G C 0.855 175.798 174.900 0.072 0.000 0.991 18 G CA 0.100 45.251 45.100 0.085 0.000 0.689 18 G HN 0.696 nan 8.290 nan 0.000 0.522 19 G N -0.098 108.721 108.800 0.032 0.000 2.398 19 G HA2 0.444 4.404 3.960 -0.001 0.000 0.246 19 G HA3 0.444 4.404 3.960 -0.001 0.000 0.246 19 G C 0.185 174.944 174.900 -0.234 0.000 1.289 19 G CA -0.214 44.689 45.100 -0.329 0.000 0.869 19 G HN 0.450 nan 8.290 nan 0.000 0.543 20 K N 3.604 123.844 120.400 -0.266 0.000 2.300 20 K HA 0.178 4.498 4.320 -0.001 0.000 0.264 20 K C 0.138 176.652 176.600 -0.143 0.000 1.083 20 K CA -0.587 55.614 56.287 -0.143 0.000 0.958 20 K CB 0.955 33.399 32.500 -0.094 0.000 1.318 20 K HN 0.326 nan 8.250 nan 0.000 0.448 21 M N 3.104 122.645 119.600 -0.099 0.000 2.228 21 M HA 0.148 4.628 4.480 -0.001 0.000 0.351 21 M C 0.308 176.614 176.300 0.010 0.000 1.233 21 M CA -0.308 54.964 55.300 -0.047 0.000 1.129 21 M CB 0.185 32.795 32.600 0.017 0.000 1.604 21 M HN 0.397 nan 8.290 nan 0.000 0.457 22 V N -0.186 119.749 119.914 0.035 0.000 3.181 22 V HA 0.987 5.107 4.120 -0.001 0.000 0.308 22 V C -0.539 175.633 176.094 0.131 0.000 1.214 22 V CA -1.414 60.930 62.300 0.074 0.000 1.053 22 V CB 1.539 33.402 31.823 0.067 0.000 1.069 22 V HN 0.943 nan 8.190 nan 0.000 0.441 23 A N 1.665 124.570 122.820 0.142 0.000 2.366 23 A HA 0.812 5.132 4.320 -0.001 0.000 0.272 23 A C -0.959 176.784 177.584 0.265 0.000 1.135 23 A CA -0.118 52.024 52.037 0.175 0.000 0.804 23 A CB 0.022 19.091 19.000 0.116 0.000 1.064 23 A HN 1.628 nan 8.150 nan 0.000 0.499 24 F N 2.342 122.380 119.950 0.147 0.000 2.730 24 F HA 0.489 5.016 4.527 -0.001 0.000 0.335 24 F C 0.573 176.542 175.800 0.281 0.000 1.212 24 F CA 0.412 58.515 58.000 0.172 0.000 1.016 24 F CB 1.314 40.389 39.000 0.124 0.000 1.290 24 F HN 1.426 nan 8.300 nan 0.000 0.495 25 A N 3.721 126.401 122.820 -0.233 0.000 2.799 25 A HA 0.109 4.428 4.320 -0.001 0.000 0.287 25 A C 1.723 179.476 177.584 0.282 0.000 1.484 25 A CA 1.521 53.553 52.037 -0.008 0.000 0.813 25 A CB -2.149 16.849 19.000 -0.004 0.000 1.009 25 A HN 2.699 nan 8.150 nan 0.000 0.545 26 G N -4.626 104.278 108.800 0.173 0.000 2.159 26 G HA2 -0.294 3.665 3.960 -0.001 0.000 0.256 26 G HA3 -0.294 3.665 3.960 -0.001 0.000 0.256 26 G C -0.088 174.782 174.900 -0.051 0.000 0.977 26 G CA 0.673 45.807 45.100 0.058 0.000 0.652 26 G HN 1.478 nan 8.290 nan 0.000 0.531 27 W N -0.071 121.305 121.300 0.126 0.000 2.719 27 W HA 0.730 5.390 4.660 0.000 0.000 0.352 27 W C 0.404 176.988 176.519 0.108 0.000 1.085 27 W CA -0.552 56.859 57.345 0.110 0.000 1.187 27 W CB 1.768 31.294 29.460 0.110 0.000 1.417 27 W HN 0.206 nan 8.180 nan 0.000 0.557 28 S N 2.683 118.594 115.700 0.352 0.000 2.423 28 S HA 0.724 5.193 4.470 -0.001 0.000 0.317 28 S C -0.962 173.791 174.600 0.255 0.000 1.065 28 S CA -0.355 58.014 58.200 0.282 0.000 1.111 28 S CB -0.517 62.872 63.200 0.316 0.000 0.968 28 S HN 0.417 nan 8.310 nan 0.000 0.474 29 L N 5.910 127.198 121.223 0.109 0.000 2.371 29 L HA 0.646 4.985 4.340 -0.001 0.000 0.262 29 L C -2.343 174.417 176.870 -0.184 0.000 1.006 29 L CA -2.649 52.134 54.840 -0.096 0.000 0.818 29 L CB 2.789 44.730 42.059 -0.197 0.000 1.354 29 L HN 0.438 nan 8.230 nan 0.000 0.415 30 P HA 0.007 nan 4.420 nan 0.000 0.282 30 P C 0.373 177.494 177.300 -0.298 0.000 1.262 30 P CA 0.019 62.861 63.100 -0.429 0.000 0.773 30 P CB 1.967 33.161 31.700 -0.844 0.000 0.879 31 V N 3.019 122.818 119.914 -0.192 0.000 2.719 31 V HA -0.103 4.017 4.120 -0.001 0.000 0.252 31 V C 0.914 176.962 176.094 -0.078 0.000 1.065 31 V CA 2.097 64.339 62.300 -0.097 0.000 1.086 31 V CB -0.525 31.275 31.823 -0.038 0.000 0.700 31 V HN 0.854 nan 8.190 nan 0.000 0.467 32 Q N -3.324 116.380 119.800 -0.160 0.000 2.874 32 Q HA 0.312 4.652 4.340 -0.001 0.000 0.303 32 Q C -1.353 174.495 176.000 -0.253 0.000 0.876 32 Q CA -0.760 55.000 55.803 -0.071 0.000 0.765 32 Q CB 0.889 29.671 28.738 0.073 0.000 1.478 32 Q HN 0.105 nan 8.270 nan 0.000 0.434 33 Y N -0.189 120.104 120.300 -0.012 0.000 3.246 33 Y HA 0.481 5.031 4.550 -0.001 0.000 0.313 33 Y C 1.878 177.763 175.900 -0.025 0.000 1.468 33 Y CA -0.666 57.419 58.100 -0.025 0.000 0.824 33 Y CB 0.191 38.624 38.460 -0.044 0.000 1.144 33 Y HN 0.455 nan 8.280 nan 0.000 0.790 34 R N 0.181 120.784 120.500 0.173 0.000 2.075 34 R HA 0.019 4.359 4.340 -0.001 0.000 0.226 34 R C -0.632 175.689 176.300 0.034 0.000 1.114 34 R CA 0.877 57.015 56.100 0.064 0.000 0.972 34 R CB -0.385 29.933 30.300 0.030 0.000 0.869 34 R HN 0.475 nan 8.270 nan 0.000 0.437 35 D N 1.534 121.950 120.400 0.028 0.000 2.339 35 D HA 0.029 4.668 4.640 -0.001 0.000 0.245 35 D C 0.188 176.500 176.300 0.020 0.000 1.115 35 D CA 0.072 54.073 54.000 0.001 0.000 0.917 35 D CB 1.135 41.916 40.800 -0.031 0.000 1.192 35 D HN 0.068 nan 8.370 nan 0.000 0.428 36 S N 0.533 116.223 115.700 -0.018 0.000 2.573 36 S HA -0.048 4.421 4.470 -0.001 0.000 0.277 36 S C 1.244 175.822 174.600 -0.037 0.000 1.346 36 S CA -0.103 58.059 58.200 -0.065 0.000 1.034 36 S CB 0.399 63.511 63.200 -0.148 0.000 0.879 36 S HN 0.608 nan 8.310 nan 0.000 0.528 37 H N 0.774 119.877 119.070 0.056 0.000 2.456 37 H HA 0.012 4.568 4.556 -0.001 0.000 0.296 37 H C 1.595 176.986 175.328 0.105 0.000 1.079 37 H CA 1.847 57.946 56.048 0.085 0.000 1.322 37 H CB -1.264 28.545 29.762 0.078 0.000 1.388 37 H HN 0.572 nan 8.280 nan 0.000 0.538 38 T N 0.552 114.939 114.554 -0.278 0.000 2.777 38 T HA -0.133 4.217 4.350 -0.001 0.000 0.266 38 T C 1.363 176.085 174.700 0.038 0.000 1.040 38 T CA 1.404 63.450 62.100 -0.091 0.000 1.141 38 T CB -0.245 68.496 68.868 -0.212 0.000 0.868 38 T HN 0.445 nan 8.240 nan 0.000 0.444 39 D N 0.702 121.105 120.400 0.005 0.000 2.144 39 D HA -0.038 4.601 4.640 -0.001 0.000 0.200 39 D C 2.345 178.720 176.300 0.124 0.000 0.978 39 D CA 0.815 54.849 54.000 0.056 0.000 0.833 39 D CB -0.373 40.435 40.800 0.014 0.000 0.961 39 D HN 0.281 nan 8.370 nan 0.000 0.470 40 S N -0.489 115.285 115.700 0.124 0.000 2.368 40 S HA -0.225 4.244 4.470 -0.001 0.000 0.225 40 S C 1.937 176.671 174.600 0.223 0.000 1.030 40 S CA 1.537 59.823 58.200 0.143 0.000 0.999 40 S CB -0.221 63.056 63.200 0.129 0.000 0.844 40 S HN 0.418 nan 8.310 nan 0.000 0.459 41 H N 0.624 119.784 119.070 0.149 0.000 2.293 41 H HA 0.015 4.570 4.556 -0.001 0.000 0.300 41 H C 2.022 177.423 175.328 0.122 0.000 1.082 41 H CA 2.151 58.290 56.048 0.153 0.000 1.308 41 H CB -0.322 29.524 29.762 0.140 0.000 1.375 41 H HN 0.355 nan 8.280 nan 0.000 0.495 42 L N -0.596 120.838 121.223 0.352 0.000 2.046 42 L HA -0.202 4.137 4.340 -0.001 0.000 0.208 42 L C 2.598 179.559 176.870 0.151 0.000 1.077 42 L CA 1.639 56.621 54.840 0.236 0.000 0.747 42 L CB -0.616 41.543 42.059 0.167 0.000 0.896 42 L HN 0.451 nan 8.230 nan 0.000 0.432 43 H N -0.024 119.108 119.070 0.103 0.000 2.387 43 H HA -0.163 4.393 4.556 -0.001 0.000 0.299 43 H C 2.146 177.532 175.328 0.096 0.000 1.099 43 H CA 2.111 58.231 56.048 0.120 0.000 1.315 43 H CB -0.036 29.774 29.762 0.079 0.000 1.380 43 H HN 0.149 nan 8.280 nan 0.000 0.513 44 T N 0.397 114.991 114.554 0.066 0.000 2.788 44 T HA -0.085 4.264 4.350 -0.001 0.000 0.268 44 T C 1.871 176.535 174.700 -0.061 0.000 1.044 44 T CA 1.345 63.456 62.100 0.018 0.000 1.139 44 T CB -0.053 68.872 68.868 0.094 0.000 0.867 44 T HN 0.406 nan 8.240 nan 0.000 0.454 45 R N 0.406 120.858 120.500 -0.080 0.000 2.275 45 R HA 0.136 4.475 4.340 -0.001 0.000 0.199 45 R C 2.050 178.263 176.300 -0.144 0.000 0.989 45 R CA 0.537 56.581 56.100 -0.093 0.000 1.016 45 R CB 0.127 30.391 30.300 -0.060 0.000 0.918 45 R HN 0.339 nan 8.270 nan 0.000 0.473 46 Q N -1.307 118.358 119.800 -0.225 0.000 2.378 46 Q HA 0.136 4.476 4.340 -0.001 0.000 0.229 46 Q C 0.834 176.395 176.000 -0.732 0.000 0.882 46 Q CA 0.838 56.387 55.803 -0.423 0.000 0.936 46 Q CB 0.740 29.223 28.738 -0.426 0.000 1.092 46 Q HN 0.447 nan 8.270 nan 0.000 0.535 47 H N -1.104 117.788 119.070 -0.297 0.000 5.287 47 H HA 0.409 4.965 4.556 -0.001 0.000 0.087 47 H C 0.430 175.628 175.328 -0.216 0.000 1.311 47 H CA 0.510 56.379 56.048 -0.297 0.000 0.349 47 H CB 0.819 30.276 29.762 -0.507 0.000 1.660 47 H HN 0.220 nan 8.280 nan 0.000 0.106 48 C N 0.345 119.596 119.300 -0.081 0.000 3.289 48 C HA 0.756 5.216 4.460 -0.001 0.000 0.354 48 C C -0.810 174.251 174.990 0.118 0.000 1.201 48 C CA -0.845 58.193 59.018 0.033 0.000 1.199 48 C CB 1.238 29.018 27.740 0.067 0.000 1.511 48 C HN 0.555 nan 8.230 nan 0.000 0.506 49 S N 0.749 116.522 115.700 0.121 0.000 2.568 49 S HA 0.838 5.307 4.470 -0.001 0.000 0.293 49 S C -1.157 173.407 174.600 -0.060 0.000 1.089 49 S CA -0.557 57.637 58.200 -0.010 0.000 0.945 49 S CB 1.658 64.753 63.200 -0.175 0.000 1.077 49 S HN 1.132 nan 8.310 nan 0.000 0.485 50 L N 2.774 123.881 121.223 -0.194 0.000 2.287 50 L HA 0.694 5.034 4.340 -0.001 0.000 0.287 50 L C -1.846 174.932 176.870 -0.154 0.000 1.022 50 L CA -0.136 54.669 54.840 -0.058 0.000 0.814 50 L CB 0.045 42.084 42.059 -0.033 0.000 1.217 50 L HN 0.515 nan 8.230 nan 0.000 0.420 51 F N 2.470 122.491 119.950 0.118 0.000 2.492 51 F HA 0.427 4.954 4.527 -0.001 0.000 0.327 51 F C 0.032 175.925 175.800 0.155 0.000 1.079 51 F CA -0.799 57.291 58.000 0.150 0.000 0.967 51 F CB 1.435 40.512 39.000 0.127 0.000 1.169 51 F HN 0.424 nan 8.300 nan 0.000 0.472 52 D N 1.543 122.172 120.400 0.383 0.000 2.317 52 D HA 0.393 5.033 4.640 -0.001 0.000 0.234 52 D C -0.117 176.343 176.300 0.266 0.000 1.112 52 D CA -0.289 53.893 54.000 0.304 0.000 0.840 52 D CB 1.431 42.494 40.800 0.437 0.000 1.078 52 D HN 0.341 nan 8.370 nan 0.000 0.486 53 V N 1.240 121.277 119.914 0.206 0.000 2.991 53 V HA 0.246 4.366 4.120 -0.001 0.000 0.355 53 V C 1.163 177.285 176.094 0.047 0.000 1.384 53 V CA -0.417 61.978 62.300 0.159 0.000 1.171 53 V CB 0.008 31.839 31.823 0.013 0.000 1.190 53 V HN 0.344 nan 8.190 nan 0.000 0.540 54 S N 1.917 117.676 115.700 0.099 0.000 2.500 54 S HA -0.114 4.355 4.470 -0.001 0.000 0.239 54 S C 1.736 176.203 174.600 -0.222 0.000 0.989 54 S CA 1.605 59.788 58.200 -0.028 0.000 0.951 54 S CB -0.513 62.694 63.200 0.012 0.000 0.759 54 S HN 1.008 nan 8.310 nan 0.000 0.523 55 H N -0.113 118.585 119.070 -0.620 0.000 2.548 55 H HA 0.251 4.806 4.556 -0.001 0.000 0.268 55 H C 0.553 175.558 175.328 -0.538 0.000 0.975 55 H CA -0.057 55.283 56.048 -1.181 0.000 1.195 55 H CB -0.516 28.151 29.762 -1.825 0.000 1.397 55 H HN 0.292 nan 8.280 nan 0.000 0.572 56 M N 1.394 120.654 119.600 -0.567 0.000 2.245 56 M HA 0.072 4.551 4.480 -0.001 0.000 0.330 56 M C 0.127 176.325 176.300 -0.171 0.000 1.098 56 M CA -0.793 54.292 55.300 -0.357 0.000 1.172 56 M CB 1.049 33.464 32.600 -0.307 0.000 1.467 56 M HN 0.145 nan 8.290 nan 0.000 0.454 57 L N 3.184 124.364 121.223 -0.071 0.000 2.313 57 L HA 0.204 4.544 4.340 -0.001 0.000 0.282 57 L C -0.533 176.322 176.870 -0.026 0.000 1.092 57 L CA 0.477 55.317 54.840 -0.000 0.000 0.831 57 L CB 0.442 42.575 42.059 0.122 0.000 1.159 57 L HN 0.581 nan 8.230 nan 0.000 0.442 58 Q N 4.203 124.002 119.800 -0.002 0.000 2.333 58 Q HA 0.587 4.927 4.340 -0.001 0.000 0.268 58 Q C -0.707 175.329 176.000 0.061 0.000 1.007 58 Q CA -0.611 55.201 55.803 0.015 0.000 0.810 58 Q CB 1.835 30.646 28.738 0.122 0.000 1.264 58 Q HN 0.785 nan 8.270 nan 0.000 0.452 59 T N -0.587 113.990 114.554 0.037 0.000 2.896 59 T HA 0.623 4.972 4.350 -0.001 0.000 0.297 59 T C -0.661 174.117 174.700 0.129 0.000 1.108 59 T CA -1.045 61.104 62.100 0.082 0.000 1.004 59 T CB 2.057 70.969 68.868 0.073 0.000 1.159 59 T HN 0.316 nan 8.240 nan 0.000 0.499 60 K N 1.304 121.781 120.400 0.128 0.000 2.324 60 K HA 0.590 4.910 4.320 -0.001 0.000 0.253 60 K C -0.937 175.731 176.600 0.112 0.000 0.932 60 K CA -1.041 55.343 56.287 0.161 0.000 0.799 60 K CB 1.723 34.256 32.500 0.055 0.000 1.154 60 K HN 0.484 nan 8.250 nan 0.000 0.425 61 I N 4.674 125.330 120.570 0.143 0.000 2.362 61 I HA 0.318 4.487 4.170 -0.001 0.000 0.289 61 I C -0.360 175.828 176.117 0.119 0.000 0.994 61 I CA -0.757 60.605 61.300 0.104 0.000 1.158 61 I CB 0.679 38.734 38.000 0.093 0.000 1.315 61 I HN 0.412 nan 8.210 nan 0.000 0.451 62 L N 4.208 125.479 121.223 0.080 0.000 2.298 62 L HA 0.987 5.326 4.340 -0.001 0.000 0.268 62 L C 0.580 177.485 176.870 0.057 0.000 1.010 62 L CA -0.321 54.565 54.840 0.076 0.000 0.812 62 L CB 1.398 43.481 42.059 0.039 0.000 1.331 62 L HN 0.844 nan 8.230 nan 0.000 0.450 63 G N -0.581 108.250 108.800 0.052 0.000 2.619 63 G HA2 -0.068 3.892 3.960 -0.001 0.000 0.686 63 G HA3 -0.068 3.892 3.960 -0.001 0.000 0.686 63 G C 0.312 175.235 174.900 0.037 0.000 1.256 63 G CA -0.139 44.984 45.100 0.038 0.000 0.826 63 G HN 0.968 nan 8.290 nan 0.000 0.619 64 S N -1.130 114.587 115.700 0.028 0.000 2.453 64 S HA 0.023 4.492 4.470 -0.001 0.000 0.231 64 S C 1.070 175.684 174.600 0.023 0.000 1.005 64 S CA 1.885 60.100 58.200 0.024 0.000 0.949 64 S CB 0.117 63.328 63.200 0.019 0.000 0.774 64 S HN 0.576 nan 8.310 nan 0.000 0.510 65 D N 1.384 121.799 120.400 0.024 0.000 2.427 65 D HA 0.168 4.807 4.640 -0.001 0.000 0.224 65 D C 1.787 178.104 176.300 0.029 0.000 1.157 65 D CA -0.189 53.825 54.000 0.023 0.000 0.828 65 D CB 0.181 40.993 40.800 0.019 0.000 0.974 65 D HN 0.589 nan 8.370 nan 0.000 0.498 66 R N -0.164 120.357 120.500 0.035 0.000 2.081 66 R HA -0.088 4.252 4.340 -0.001 0.000 0.235 66 R C 1.398 177.721 176.300 0.039 0.000 1.131 66 R CA 0.938 57.063 56.100 0.043 0.000 0.960 66 R CB -0.783 29.550 30.300 0.056 0.000 0.856 66 R HN 0.068 nan 8.270 nan 0.000 0.436 67 V N 1.706 121.638 119.914 0.031 0.000 2.358 67 V HA -0.177 3.942 4.120 -0.001 0.000 0.246 67 V C 2.410 178.521 176.094 0.028 0.000 1.047 67 V CA 1.837 64.152 62.300 0.026 0.000 1.035 67 V CB -0.485 31.348 31.823 0.018 0.000 0.658 67 V HN 0.337 nan 8.190 nan 0.000 0.452 68 K N -0.272 120.144 120.400 0.027 0.000 2.063 68 K HA -0.192 4.128 4.320 -0.001 0.000 0.208 68 K C 2.181 178.800 176.600 0.032 0.000 1.048 68 K CA 1.722 58.025 56.287 0.027 0.000 0.928 68 K CB -0.348 32.165 32.500 0.021 0.000 0.713 68 K HN 0.397 nan 8.250 nan 0.000 0.442 69 L N 0.429 121.672 121.223 0.034 0.000 1.994 69 L HA -0.218 4.121 4.340 -0.001 0.000 0.208 69 L C 2.490 179.394 176.870 0.055 0.000 1.071 69 L CA 1.258 56.120 54.840 0.038 0.000 0.745 69 L CB -0.182 41.899 42.059 0.037 0.000 0.892 69 L HN 0.164 nan 8.230 nan 0.000 0.431 70 M N 0.237 119.874 119.600 0.061 0.000 2.086 70 M HA -0.234 4.246 4.480 -0.001 0.000 0.261 70 M C 2.060 178.406 176.300 0.076 0.000 1.067 70 M CA 1.850 57.198 55.300 0.080 0.000 1.116 70 M CB -0.511 32.121 32.600 0.054 0.000 1.348 70 M HN 0.274 nan 8.290 nan 0.000 0.407 71 E N -0.906 119.326 120.200 0.054 0.000 2.268 71 E HA -0.137 4.213 4.350 -0.001 0.000 0.195 71 E C 1.808 178.451 176.600 0.071 0.000 0.995 71 E CA 1.315 57.748 56.400 0.055 0.000 0.836 71 E CB -0.292 29.435 29.700 0.044 0.000 0.763 71 E HN 0.696 nan 8.360 nan 0.000 0.491 72 S N 0.121 115.860 115.700 0.064 0.000 2.522 72 S HA 0.004 4.473 4.470 -0.001 0.000 0.227 72 S C 1.792 176.437 174.600 0.074 0.000 0.986 72 S CA 0.408 58.642 58.200 0.057 0.000 0.929 72 S CB -0.023 63.198 63.200 0.035 0.000 0.769 72 S HN 0.177 nan 8.310 nan 0.000 0.529 73 L N 0.937 122.227 121.223 0.112 0.000 2.537 73 L HA 0.386 4.726 4.340 -0.001 0.000 0.224 73 L C 0.719 177.753 176.870 0.273 0.000 1.065 73 L CA -0.046 54.900 54.840 0.177 0.000 0.860 73 L CB 0.618 42.805 42.059 0.213 0.000 1.086 73 L HN 0.364 nan 8.230 nan 0.000 0.482 74 V N -2.973 117.043 119.914 0.170 0.000 3.166 74 V HA 0.383 4.503 4.120 -0.001 0.000 0.317 74 V C 0.955 177.070 176.094 0.036 0.000 1.136 74 V CA -0.389 61.950 62.300 0.066 0.000 1.035 74 V CB 1.730 33.510 31.823 -0.071 0.000 1.110 74 V HN -0.061 nan 8.190 nan 0.000 0.450 75 V N -1.594 118.292 119.914 -0.046 0.000 3.650 75 V HA 0.517 4.637 4.120 -0.001 0.000 0.271 75 V C 1.028 177.031 176.094 -0.151 0.000 1.281 75 V CA 0.699 62.933 62.300 -0.110 0.000 1.120 75 V CB -0.797 30.869 31.823 -0.261 0.000 0.856 75 V HN 1.192 nan 8.190 nan 0.000 0.443 76 G N 0.004 108.735 108.800 -0.116 0.000 2.537 76 G HA2 0.371 4.330 3.960 -0.001 0.000 0.273 76 G HA3 0.371 4.330 3.960 -0.001 0.000 0.273 76 G C -0.965 173.904 174.900 -0.050 0.000 1.189 76 G CA -0.376 44.665 45.100 -0.098 0.000 0.881 76 G HN 0.253 nan 8.290 nan 0.000 0.535 77 D N 1.014 121.391 120.400 -0.039 0.000 2.435 77 D HA 0.125 4.764 4.640 -0.001 0.000 0.230 77 D C 1.430 177.718 176.300 -0.019 0.000 1.215 77 D CA -0.350 53.641 54.000 -0.016 0.000 0.947 77 D CB 0.807 41.601 40.800 -0.010 0.000 1.048 77 D HN 0.051 nan 8.370 nan 0.000 0.512 78 I N 1.197 121.759 120.570 -0.014 0.000 2.480 78 I HA -0.105 4.064 4.170 -0.001 0.000 0.251 78 I C 2.334 178.445 176.117 -0.010 0.000 1.124 78 I CA 0.470 61.760 61.300 -0.017 0.000 1.444 78 I CB -1.154 36.839 38.000 -0.012 0.000 1.098 78 I HN 0.222 nan 8.210 nan 0.000 0.428 79 A N 0.965 123.784 122.820 -0.001 0.000 1.940 79 A HA -0.205 4.115 4.320 -0.001 0.000 0.219 79 A C 2.063 179.644 177.584 -0.004 0.000 1.176 79 A CA 1.634 53.671 52.037 0.001 0.000 0.631 79 A CB -0.569 18.435 19.000 0.007 0.000 0.814 79 A HN 0.361 nan 8.150 nan 0.000 0.446 80 E N -0.220 119.976 120.200 -0.005 0.000 2.418 80 E HA 0.090 4.440 4.350 -0.001 0.000 0.197 80 E C 0.129 176.720 176.600 -0.015 0.000 1.026 80 E CA -0.034 56.361 56.400 -0.008 0.000 0.862 80 E CB -0.336 29.361 29.700 -0.005 0.000 0.799 80 E HN 0.616 nan 8.360 nan 0.000 0.518 81 L N 2.470 123.682 121.223 -0.020 0.000 2.534 81 L HA 0.040 4.379 4.340 -0.001 0.000 0.271 81 L C 0.833 177.687 176.870 -0.027 0.000 1.178 81 L CA -0.188 54.635 54.840 -0.028 0.000 0.907 81 L CB 0.274 42.312 42.059 -0.035 0.000 1.164 81 L HN -0.000 nan 8.230 nan 0.000 0.482 82 R N 3.688 124.171 120.500 -0.029 0.000 2.649 82 R HA 0.303 4.642 4.340 -0.001 0.000 0.270 82 R C -2.236 174.044 176.300 -0.033 0.000 1.105 82 R CA -2.236 53.848 56.100 -0.027 0.000 1.193 82 R CB -0.323 29.962 30.300 -0.024 0.000 1.120 82 R HN 0.269 nan 8.270 nan 0.000 0.561 83 P HA 0.011 nan 4.420 nan 0.000 0.264 83 P C -0.350 176.925 177.300 -0.042 0.000 1.193 83 P CA 0.482 63.558 63.100 -0.040 0.000 0.763 83 P CB 0.296 31.975 31.700 -0.034 0.000 0.810 84 N N -0.240 118.429 118.700 -0.052 0.000 2.829 84 N HA -0.201 4.539 4.740 -0.001 0.000 0.250 84 N C -0.188 175.296 175.510 -0.043 0.000 1.090 84 N CA 0.936 53.958 53.050 -0.047 0.000 0.781 84 N CB -1.283 37.180 38.487 -0.040 0.000 1.124 84 N HN 0.618 nan 8.380 nan 0.000 0.559 85 Q N -0.009 119.762 119.800 -0.048 0.000 2.312 85 Q HA 0.646 4.986 4.340 -0.001 0.000 0.263 85 Q C 0.083 176.044 176.000 -0.066 0.000 0.995 85 Q CA -0.488 55.280 55.803 -0.060 0.000 0.853 85 Q CB 1.564 30.270 28.738 -0.054 0.000 1.300 85 Q HN 0.287 nan 8.270 nan 0.000 0.448 86 G N 0.575 109.319 108.800 -0.095 0.000 2.730 86 G HA2 0.646 4.606 3.960 -0.001 0.000 0.289 86 G HA3 0.646 4.606 3.960 -0.001 0.000 0.289 86 G C -1.455 173.366 174.900 -0.132 0.000 1.341 86 G CA -0.365 44.675 45.100 -0.100 0.000 0.932 86 G HN 0.482 nan 8.290 nan 0.000 0.481 87 T N -0.569 113.912 114.554 -0.121 0.000 2.923 87 T HA 0.525 4.875 4.350 -0.001 0.000 0.311 87 T C -0.763 173.876 174.700 -0.102 0.000 1.183 87 T CA -0.550 61.486 62.100 -0.107 0.000 1.020 87 T CB 1.095 69.923 68.868 -0.067 0.000 1.165 87 T HN 0.421 nan 8.240 nan 0.000 0.482 88 L N 3.084 124.280 121.223 -0.046 0.000 2.371 88 L HA 0.671 5.011 4.340 -0.001 0.000 0.272 88 L C 0.564 177.375 176.870 -0.098 0.000 1.124 88 L CA -0.253 54.567 54.840 -0.034 0.000 0.816 88 L CB 1.400 43.540 42.059 0.135 0.000 1.129 88 L HN 0.611 nan 8.230 nan 0.000 0.448 89 S N 2.322 117.912 115.700 -0.184 0.000 2.752 89 S HA 0.805 5.275 4.470 -0.001 0.000 0.284 89 S C -1.371 173.053 174.600 -0.293 0.000 1.189 89 S CA -0.605 57.447 58.200 -0.245 0.000 0.835 89 S CB 1.341 64.399 63.200 -0.237 0.000 1.192 89 S HN 0.429 nan 8.310 nan 0.000 0.506 90 L N 1.365 122.417 121.223 -0.286 0.000 2.409 90 L HA 0.581 4.921 4.340 -0.001 0.000 0.262 90 L C -1.354 175.411 176.870 -0.175 0.000 0.992 90 L CA -0.576 54.120 54.840 -0.241 0.000 0.817 90 L CB 1.854 43.822 42.059 -0.151 0.000 1.350 90 L HN 0.611 nan 8.230 nan 0.000 0.411 91 F N 1.010 120.910 119.950 -0.083 0.000 2.411 91 F HA 0.449 4.976 4.527 -0.000 0.000 0.350 91 F C 0.603 176.380 175.800 -0.038 0.000 1.114 91 F CA -0.427 57.534 58.000 -0.065 0.000 1.135 91 F CB 1.866 40.811 39.000 -0.091 0.000 1.120 91 F HN 0.415 nan 8.300 nan 0.000 0.495 92 T N 0.291 114.959 114.554 0.190 0.000 2.876 92 T HA 0.449 4.798 4.350 -0.001 0.000 0.289 92 T C -0.563 174.189 174.700 0.087 0.000 1.014 92 T CA -1.224 60.948 62.100 0.119 0.000 0.986 92 T CB 1.709 70.646 68.868 0.116 0.000 1.021 92 T HN 0.492 nan 8.240 nan 0.000 0.458 93 N N 0.930 119.664 118.700 0.055 0.000 2.405 93 N HA 0.257 4.996 4.740 -0.001 0.000 0.269 93 N C 0.780 176.308 175.510 0.030 0.000 1.249 93 N CA -0.867 52.198 53.050 0.025 0.000 0.974 93 N CB 0.265 38.754 38.487 0.003 0.000 1.204 93 N HN 0.752 nan 8.380 nan 0.000 0.565 94 E N -1.175 119.031 120.200 0.011 0.000 2.204 94 E HA -0.129 4.220 4.350 -0.001 0.000 0.195 94 E C 1.000 177.606 176.600 0.009 0.000 0.990 94 E CA 1.272 57.675 56.400 0.005 0.000 0.821 94 E CB -0.211 29.485 29.700 -0.007 0.000 0.750 94 E HN 0.691 nan 8.360 nan 0.000 0.477 95 A N -0.250 122.580 122.820 0.016 0.000 2.251 95 A HA 0.265 4.584 4.320 -0.001 0.000 0.209 95 A C 1.671 179.278 177.584 0.038 0.000 1.187 95 A CA 0.798 52.849 52.037 0.022 0.000 0.823 95 A CB -0.158 18.856 19.000 0.023 0.000 0.846 95 A HN 0.333 nan 8.150 nan 0.000 0.486 96 G N -1.671 107.160 108.800 0.052 0.000 2.176 96 G HA2 -0.090 3.869 3.960 -0.001 0.000 0.253 96 G HA3 -0.090 3.869 3.960 -0.001 0.000 0.253 96 G C 0.784 175.727 174.900 0.071 0.000 0.979 96 G CA 0.284 45.431 45.100 0.079 0.000 0.641 96 G HN 1.442 nan 8.290 nan 0.000 0.530 97 G N -0.272 108.559 108.800 0.052 0.000 2.544 97 G HA2 0.504 4.463 3.960 -0.001 0.000 0.242 97 G HA3 0.504 4.463 3.960 -0.001 0.000 0.242 97 G C 0.250 175.193 174.900 0.072 0.000 1.247 97 G CA -0.359 44.768 45.100 0.045 0.000 0.840 97 G HN 0.686 nan 8.290 nan 0.000 0.578 98 I N 1.710 122.344 120.570 0.106 0.000 2.352 98 I HA 0.095 4.264 4.170 -0.001 0.000 0.290 98 I C 1.065 177.328 176.117 0.244 0.000 1.036 98 I CA -0.277 61.126 61.300 0.170 0.000 1.336 98 I CB 1.413 39.542 38.000 0.216 0.000 1.407 98 I HN 0.407 nan 8.210 nan 0.000 0.497 99 L N 4.234 125.541 121.223 0.141 0.000 2.307 99 L HA 0.206 4.545 4.340 -0.001 0.000 0.211 99 L C 0.150 176.862 176.870 -0.264 0.000 1.099 99 L CA 0.692 55.560 54.840 0.046 0.000 0.816 99 L CB -0.098 41.969 42.059 0.014 0.000 0.952 99 L HN 0.679 nan 8.230 nan 0.000 0.455 100 D N -1.384 118.864 120.400 -0.254 0.000 2.997 100 D HA 0.059 4.698 4.640 -0.001 0.000 0.276 100 D C -1.990 174.170 176.300 -0.232 0.000 1.141 100 D CA -0.586 53.060 54.000 -0.591 0.000 0.727 100 D CB 1.134 41.732 40.800 -0.337 0.000 1.306 100 D HN 0.045 nan 8.370 nan 0.000 0.439 101 D N 1.152 121.428 120.400 -0.206 0.000 2.198 101 D HA 0.681 5.321 4.640 -0.001 0.000 0.247 101 D C 0.030 176.192 176.300 -0.230 0.000 1.010 101 D CA -0.524 53.379 54.000 -0.161 0.000 0.880 101 D CB 2.029 42.811 40.800 -0.030 0.000 1.209 101 D HN 0.555 nan 8.370 nan 0.000 0.451 102 L N -2.030 119.023 121.223 -0.284 0.000 2.828 102 L HA 0.684 5.024 4.340 -0.001 0.000 0.264 102 L C -1.571 175.150 176.870 -0.249 0.000 1.106 102 L CA -1.256 53.407 54.840 -0.295 0.000 0.955 102 L CB 2.045 43.837 42.059 -0.445 0.000 1.558 102 L HN 0.478 nan 8.230 nan 0.000 0.386 103 I N 1.071 121.494 120.570 -0.245 0.000 2.582 103 I HA 0.718 4.888 4.170 -0.001 0.000 0.292 103 I C -1.563 174.415 176.117 -0.231 0.000 1.066 103 I CA -0.834 60.342 61.300 -0.207 0.000 1.053 103 I CB 2.107 40.002 38.000 -0.175 0.000 1.241 103 I HN 0.448 nan 8.210 nan 0.000 0.421 104 V N 5.548 125.352 119.914 -0.183 0.000 2.588 104 V HA 0.548 4.668 4.120 -0.001 0.000 0.304 104 V C -0.320 175.718 176.094 -0.092 0.000 1.042 104 V CA -0.402 61.809 62.300 -0.149 0.000 0.877 104 V CB 1.981 33.726 31.823 -0.129 0.000 0.996 104 V HN 0.770 nan 8.190 nan 0.000 0.425 105 T N 3.225 117.754 114.554 -0.041 0.000 2.841 105 T HA 0.339 4.688 4.350 -0.001 0.000 0.283 105 T C -0.344 174.355 174.700 -0.002 0.000 1.000 105 T CA -0.490 61.611 62.100 0.001 0.000 0.977 105 T CB 1.350 70.273 68.868 0.091 0.000 0.979 105 T HN 0.673 nan 8.240 nan 0.000 0.446 106 N N 2.795 121.475 118.700 -0.034 0.000 2.437 106 N HA 0.229 4.969 4.740 -0.001 0.000 0.243 106 N C 0.215 175.669 175.510 -0.093 0.000 1.041 106 N CA -0.376 52.640 53.050 -0.057 0.000 0.940 106 N CB 0.545 39.005 38.487 -0.045 0.000 1.133 106 N HN 0.690 nan 8.380 nan 0.000 0.506 107 T N 0.203 114.647 114.554 -0.182 0.000 2.882 107 T HA 0.177 4.527 4.350 -0.001 0.000 0.287 107 T C 1.200 175.786 174.700 -0.190 0.000 1.014 107 T CA -0.367 61.588 62.100 -0.241 0.000 1.049 107 T CB 0.714 69.277 68.868 -0.508 0.000 1.001 107 T HN 0.430 nan 8.240 nan 0.000 0.525 108 S N -0.392 115.229 115.700 -0.130 0.000 2.650 108 S HA 0.102 4.572 4.470 -0.001 0.000 0.219 108 S C 0.791 175.356 174.600 -0.057 0.000 0.960 108 S CA -0.235 57.920 58.200 -0.075 0.000 0.925 108 S CB -0.384 62.787 63.200 -0.048 0.000 0.775 108 S HN 0.767 nan 8.310 nan 0.000 0.525 109 E N 1.153 121.298 120.200 -0.092 0.000 2.474 109 E HA 0.361 4.711 4.350 -0.001 0.000 0.195 109 E C 1.183 177.840 176.600 0.095 0.000 1.039 109 E CA 0.412 56.830 56.400 0.030 0.000 0.881 109 E CB 0.101 29.906 29.700 0.174 0.000 0.970 109 E HN 0.581 nan 8.360 nan 0.000 0.486 110 G N 1.582 110.382 108.800 -0.001 0.000 2.132 110 G HA2 -0.232 3.727 3.960 -0.001 0.000 0.228 110 G HA3 -0.232 3.727 3.960 -0.001 0.000 0.228 110 G C -0.065 174.906 174.900 0.117 0.000 1.000 110 G CA 0.265 45.395 45.100 0.051 0.000 0.693 110 G HN 0.466 nan 8.290 nan 0.000 0.515 111 H N -2.094 116.990 119.070 0.024 0.000 3.008 111 H HA 0.695 5.250 4.556 -0.000 0.000 0.354 111 H C -0.980 174.380 175.328 0.053 0.000 1.252 111 H CA -1.330 54.740 56.048 0.038 0.000 1.117 111 H CB 1.114 30.901 29.762 0.043 0.000 1.857 111 H HN 0.160 nan 8.280 nan 0.000 0.547 112 L N 1.907 123.225 121.223 0.159 0.000 2.289 112 L HA 0.234 4.574 4.340 -0.001 0.000 0.285 112 L C -0.914 176.100 176.870 0.239 0.000 1.049 112 L CA -1.042 53.861 54.840 0.105 0.000 0.804 112 L CB 0.919 43.021 42.059 0.071 0.000 1.195 112 L HN 0.498 nan 8.230 nan 0.000 0.428 113 Y N 3.957 124.286 120.300 0.050 0.000 2.342 113 Y HA 0.574 5.124 4.550 -0.001 0.000 0.338 113 Y C -0.842 175.071 175.900 0.023 0.000 0.965 113 Y CA -0.863 57.285 58.100 0.080 0.000 1.159 113 Y CB 1.250 39.743 38.460 0.055 0.000 1.157 113 Y HN 0.215 nan 8.280 nan 0.000 0.486 114 V N 7.032 126.725 119.914 -0.369 0.000 2.555 114 V HA 0.586 4.705 4.120 -0.001 0.000 0.302 114 V C -0.891 174.903 176.094 -0.500 0.000 1.038 114 V CA -0.952 61.117 62.300 -0.385 0.000 0.887 114 V CB 1.729 33.475 31.823 -0.129 0.000 0.991 114 V HN 0.572 nan 8.190 nan 0.000 0.434 115 V N 3.906 123.556 119.914 -0.440 0.000 2.483 115 V HA 0.748 4.868 4.120 -0.001 0.000 0.297 115 V C -0.065 175.901 176.094 -0.213 0.000 1.027 115 V CA -0.265 61.843 62.300 -0.321 0.000 0.855 115 V CB 1.859 33.488 31.823 -0.323 0.000 0.995 115 V HN 1.047 nan 8.190 nan 0.000 0.424 116 S N 3.348 118.968 115.700 -0.134 0.000 2.704 116 S HA 0.574 5.044 4.470 -0.001 0.000 0.296 116 S C -0.641 173.913 174.600 -0.077 0.000 1.138 116 S CA -1.087 57.055 58.200 -0.096 0.000 0.875 116 S CB 1.524 64.729 63.200 0.008 0.000 1.151 116 S HN 0.522 nan 8.310 nan 0.000 0.500 117 N N 0.552 119.214 118.700 -0.064 0.000 2.458 117 N HA 0.208 4.947 4.740 -0.001 0.000 0.258 117 N C 1.350 176.893 175.510 0.055 0.000 1.219 117 N CA 0.558 53.587 53.050 -0.034 0.000 0.902 117 N CB 1.082 39.564 38.487 -0.008 0.000 1.076 117 N HN 0.814 nan 8.380 nan 0.000 0.455 118 A N 2.832 125.667 122.820 0.026 0.000 1.902 118 A HA -0.084 4.236 4.320 -0.001 0.000 0.217 118 A C 1.939 179.750 177.584 0.378 0.000 1.181 118 A CA 1.869 54.002 52.037 0.159 0.000 0.623 118 A CB -0.834 18.194 19.000 0.047 0.000 0.818 118 A HN 0.719 nan 8.150 nan 0.000 0.443 119 G N -2.102 106.849 108.800 0.252 0.000 2.679 119 G HA2 -0.008 3.951 3.960 -0.001 0.000 0.212 119 G HA3 -0.008 3.951 3.960 -0.001 0.000 0.212 119 G C 0.837 175.837 174.900 0.166 0.000 1.137 119 G CA 1.222 46.450 45.100 0.212 0.000 0.787 119 G HN 0.520 nan 8.290 nan 0.000 0.534 120 C N 0.774 120.163 119.300 0.148 0.000 3.115 120 C HA 0.247 4.707 4.460 -0.001 0.000 0.277 120 C C 2.039 177.064 174.990 0.059 0.000 1.460 120 C CA -1.305 57.737 59.018 0.041 0.000 1.789 120 C CB -1.376 26.328 27.740 -0.060 0.000 2.674 120 C HN 0.750 nan 8.230 nan 0.000 0.582 121 W N 2.182 123.508 121.300 0.044 0.000 2.363 121 W HA -0.110 4.550 4.660 -0.001 0.000 0.296 121 W C 1.145 177.680 176.519 0.027 0.000 1.212 121 W CA 1.571 58.944 57.345 0.047 0.000 1.260 121 W CB -0.863 28.657 29.460 0.100 0.000 1.131 121 W HN 0.324 nan 8.180 nan 0.000 0.530 122 E N 1.240 120.867 120.200 -0.956 0.000 2.047 122 E HA -0.208 4.141 4.350 -0.001 0.000 0.191 122 E C 2.224 178.580 176.600 -0.407 0.000 0.987 122 E CA 2.041 57.868 56.400 -0.956 0.000 0.799 122 E CB -0.595 28.538 29.700 -0.946 0.000 0.752 122 E HN 0.201 nan 8.360 nan 0.000 0.449 123 K N 0.797 121.023 120.400 -0.290 0.000 2.002 123 K HA -0.214 4.105 4.320 -0.001 0.000 0.209 123 K C 1.262 177.746 176.600 -0.193 0.000 1.048 123 K CA 1.841 58.008 56.287 -0.199 0.000 0.930 123 K CB -0.084 32.326 32.500 -0.150 0.000 0.714 123 K HN 0.020 nan 8.250 nan 0.000 0.438 124 D N 1.068 121.377 120.400 -0.151 0.000 2.117 124 D HA -0.167 4.472 4.640 -0.001 0.000 0.197 124 D C 1.903 178.124 176.300 -0.131 0.000 0.987 124 D CA 0.748 54.646 54.000 -0.170 0.000 0.829 124 D CB -0.302 40.517 40.800 0.032 0.000 0.961 124 D HN 0.160 nan 8.370 nan 0.000 0.460 125 L N 0.991 122.199 121.223 -0.025 0.000 2.017 125 L HA -0.064 4.276 4.340 -0.001 0.000 0.208 125 L C 2.095 178.936 176.870 -0.049 0.000 1.073 125 L CA 1.794 56.647 54.840 0.023 0.000 0.745 125 L CB -0.889 41.257 42.059 0.146 0.000 0.894 125 L HN -0.013 nan 8.230 nan 0.000 0.432 126 A N -0.702 122.057 122.820 -0.101 0.000 1.902 126 A HA -0.205 4.114 4.320 -0.001 0.000 0.217 126 A C 2.266 179.776 177.584 -0.122 0.000 1.181 126 A CA 1.896 53.870 52.037 -0.105 0.000 0.623 126 A CB -1.016 17.906 19.000 -0.130 0.000 0.818 126 A HN 0.507 nan 8.150 nan 0.000 0.443 127 L N -0.610 120.504 121.223 -0.181 0.000 2.017 127 L HA -0.148 4.192 4.340 -0.001 0.000 0.208 127 L C 2.526 179.278 176.870 -0.198 0.000 1.073 127 L CA 2.228 56.930 54.840 -0.230 0.000 0.745 127 L CB -0.382 41.439 42.059 -0.395 0.000 0.894 127 L HN 0.440 nan 8.230 nan 0.000 0.432 128 M N -1.473 118.015 119.600 -0.186 0.000 2.175 128 M HA -0.201 4.279 4.480 -0.001 0.000 0.264 128 M C 2.288 178.558 176.300 -0.049 0.000 1.063 128 M CA 1.593 56.833 55.300 -0.099 0.000 1.119 128 M CB -0.391 32.185 32.600 -0.040 0.000 1.377 128 M HN 0.363 nan 8.290 nan 0.000 0.415 129 Q N 0.432 120.206 119.800 -0.043 0.000 2.084 129 Q HA -0.189 4.150 4.340 -0.001 0.000 0.202 129 Q C 1.587 177.568 176.000 -0.031 0.000 0.978 129 Q CA 1.312 57.101 55.803 -0.023 0.000 0.844 129 Q CB -0.193 28.535 28.738 -0.017 0.000 0.898 129 Q HN 0.471 nan 8.270 nan 0.000 0.426 130 D N 0.539 120.909 120.400 -0.050 0.000 2.123 130 D HA -0.151 4.489 4.640 -0.001 0.000 0.196 130 D C 1.739 178.016 176.300 -0.038 0.000 0.992 130 D CA 1.182 55.153 54.000 -0.047 0.000 0.833 130 D CB -0.035 40.728 40.800 -0.063 0.000 0.954 130 D HN -0.017 nan 8.370 nan 0.000 0.455 131 K N 0.542 120.916 120.400 -0.043 0.000 2.057 131 K HA -0.030 4.290 4.320 -0.001 0.000 0.206 131 K C 1.981 178.574 176.600 -0.013 0.000 1.050 131 K CA 0.371 56.641 56.287 -0.028 0.000 0.935 131 K CB -0.451 32.032 32.500 -0.029 0.000 0.715 131 K HN -0.064 nan 8.250 nan 0.000 0.439 132 V N 0.838 120.747 119.914 -0.009 0.000 2.287 132 V HA -0.258 3.861 4.120 -0.001 0.000 0.248 132 V C 2.514 178.607 176.094 -0.002 0.000 1.053 132 V CA 2.196 64.496 62.300 0.001 0.000 1.027 132 V CB -0.468 31.358 31.823 0.006 0.000 0.646 132 V HN 0.379 nan 8.190 nan 0.000 0.447 133 R N -0.200 120.296 120.500 -0.007 0.000 2.091 133 R HA -0.246 4.093 4.340 -0.001 0.000 0.238 133 R C 2.408 178.704 176.300 -0.007 0.000 1.136 133 R CA 2.227 58.323 56.100 -0.007 0.000 0.959 133 R CB -0.308 29.985 30.300 -0.012 0.000 0.856 133 R HN 0.687 nan 8.270 nan 0.000 0.437 134 E N 0.322 120.516 120.200 -0.010 0.000 2.058 134 E HA -0.207 4.142 4.350 -0.001 0.000 0.194 134 E C 2.060 178.657 176.600 -0.005 0.000 0.997 134 E CA 1.426 57.820 56.400 -0.009 0.000 0.801 134 E CB -0.059 29.634 29.700 -0.013 0.000 0.746 134 E HN 0.398 nan 8.360 nan 0.000 0.450 135 L N 0.350 121.572 121.223 -0.002 0.000 2.093 135 L HA -0.176 4.164 4.340 -0.001 0.000 0.208 135 L C 2.681 179.553 176.870 0.003 0.000 1.085 135 L CA 1.055 55.897 54.840 0.002 0.000 0.755 135 L CB -0.448 41.615 42.059 0.006 0.000 0.904 135 L HN 0.208 nan 8.230 nan 0.000 0.435 136 Q N -0.090 119.712 119.800 0.003 0.000 2.167 136 Q HA -0.216 4.124 4.340 -0.001 0.000 0.202 136 Q C 1.791 177.792 176.000 0.002 0.000 0.970 136 Q CA 1.593 57.398 55.803 0.003 0.000 0.855 136 Q CB -0.250 28.490 28.738 0.004 0.000 0.911 136 Q HN 0.432 nan 8.270 nan 0.000 0.438 137 N N 0.697 119.396 118.700 -0.000 0.000 2.453 137 N HA -0.135 4.604 4.740 -0.001 0.000 0.183 137 N C 0.961 176.470 175.510 -0.001 0.000 1.041 137 N CA 0.822 53.871 53.050 -0.001 0.000 0.900 137 N CB 0.230 38.715 38.487 -0.004 0.000 0.961 137 N HN 0.218 nan 8.380 nan 0.000 0.443 138 Q N -1.273 118.527 119.800 -0.000 0.000 2.280 138 Q HA 0.249 4.589 4.340 -0.001 0.000 0.201 138 Q C 0.644 176.645 176.000 0.002 0.000 0.890 138 Q CA 0.304 56.107 55.803 0.000 0.000 0.947 138 Q CB 0.557 29.296 28.738 0.000 0.000 1.081 138 Q HN 0.413 nan 8.270 nan 0.000 0.502 139 G N 1.337 110.139 108.800 0.002 0.000 2.179 139 G HA2 -0.240 3.720 3.960 -0.001 0.000 0.260 139 G HA3 -0.240 3.720 3.960 -0.001 0.000 0.260 139 G C 0.208 175.111 174.900 0.005 0.000 0.977 139 G CA -0.224 44.879 45.100 0.003 0.000 0.641 139 G HN 0.094 nan 8.290 nan 0.000 0.533 140 R N 0.523 121.026 120.500 0.006 0.000 2.637 140 R HA 0.427 4.766 4.340 -0.001 0.000 0.269 140 R C -0.446 175.859 176.300 0.010 0.000 1.089 140 R CA -0.469 55.636 56.100 0.008 0.000 1.177 140 R CB 0.373 30.679 30.300 0.009 0.000 1.091 140 R HN 0.293 nan 8.270 nan 0.000 0.540 141 D N 0.982 121.390 120.400 0.012 0.000 2.443 141 D HA 0.347 4.986 4.640 -0.001 0.000 0.221 141 D C -1.286 175.026 176.300 0.019 0.000 1.097 141 D CA -0.345 53.663 54.000 0.014 0.000 0.865 141 D CB 0.517 41.326 40.800 0.015 0.000 1.034 141 D HN 0.120 nan 8.370 nan 0.000 0.511 142 V N 2.577 122.503 119.914 0.019 0.000 3.147 142 V HA 0.906 5.025 4.120 -0.001 0.000 0.299 142 V C -0.612 175.496 176.094 0.022 0.000 1.302 142 V CA 0.034 62.349 62.300 0.024 0.000 1.015 142 V CB 1.842 33.679 31.823 0.024 0.000 1.086 142 V HN 0.643 nan 8.190 nan 0.000 0.437 143 G N 2.898 111.714 108.800 0.027 0.000 2.660 143 G HA2 0.712 4.671 3.960 -0.001 0.000 0.290 143 G HA3 0.712 4.671 3.960 -0.001 0.000 0.290 143 G C -2.277 172.642 174.900 0.031 0.000 1.432 143 G CA -0.281 44.833 45.100 0.024 0.000 0.807 143 G HN 1.289 nan 8.290 nan 0.000 0.485 144 L N -0.631 120.609 121.223 0.029 0.000 2.409 144 L HA 0.868 5.207 4.340 -0.001 0.000 0.262 144 L C -1.086 175.803 176.870 0.032 0.000 0.992 144 L CA -0.693 54.170 54.840 0.037 0.000 0.817 144 L CB 2.400 44.484 42.059 0.042 0.000 1.350 144 L HN 0.612 nan 8.230 nan 0.000 0.411 145 E N 3.048 123.269 120.200 0.035 0.000 2.256 145 E HA 0.422 4.772 4.350 -0.001 0.000 0.268 145 E C -1.430 175.198 176.600 0.047 0.000 0.877 145 E CA -0.842 55.575 56.400 0.028 0.000 0.757 145 E CB 2.840 32.540 29.700 0.000 0.000 1.183 145 E HN 0.384 nan 8.360 nan 0.000 0.418 146 V N 4.564 124.508 119.914 0.050 0.000 2.406 146 V HA 0.228 4.348 4.120 -0.001 0.000 0.272 146 V C 0.205 176.327 176.094 0.046 0.000 1.043 146 V CA -0.460 61.876 62.300 0.059 0.000 0.915 146 V CB 0.439 32.301 31.823 0.066 0.000 0.988 146 V HN 0.527 nan 8.190 nan 0.000 0.466 147 L N 4.489 125.748 121.223 0.059 0.000 2.418 147 L HA 0.396 4.736 4.340 -0.001 0.000 0.265 147 L C 0.862 177.756 176.870 0.039 0.000 1.143 147 L CA -0.455 54.419 54.840 0.055 0.000 0.809 147 L CB 0.928 43.046 42.059 0.098 0.000 1.124 147 L HN 0.788 nan 8.230 nan 0.000 0.456 148 D N -1.427 118.991 120.400 0.031 0.000 2.398 148 D HA 0.022 4.661 4.640 -0.001 0.000 0.210 148 D C 0.290 176.608 176.300 0.030 0.000 1.094 148 D CA -0.324 53.692 54.000 0.026 0.000 0.839 148 D CB -0.166 40.647 40.800 0.021 0.000 0.963 148 D HN 0.224 nan 8.370 nan 0.000 0.506 149 N N 1.088 119.808 118.700 0.033 0.000 2.329 149 N HA 0.310 5.050 4.740 -0.001 0.000 0.237 149 N C 0.137 175.667 175.510 0.033 0.000 1.258 149 N CA 0.286 53.355 53.050 0.031 0.000 0.866 149 N CB 0.570 39.077 38.487 0.033 0.000 1.102 149 N HN 0.327 nan 8.380 nan 0.000 0.440 150 A N 0.794 123.631 122.820 0.028 0.000 2.259 150 A HA 0.631 4.950 4.320 -0.001 0.000 0.278 150 A C -0.615 176.987 177.584 0.031 0.000 1.107 150 A CA -0.207 51.844 52.037 0.025 0.000 0.828 150 A CB 0.339 19.348 19.000 0.016 0.000 1.111 150 A HN 0.543 nan 8.150 nan 0.000 0.498 151 L N 0.006 121.249 121.223 0.032 0.000 2.516 151 L HA 0.590 4.929 4.340 -0.001 0.000 0.267 151 L C -1.385 175.522 176.870 0.062 0.000 0.957 151 L CA 0.076 54.944 54.840 0.046 0.000 0.860 151 L CB 1.468 43.547 42.059 0.033 0.000 1.265 151 L HN 0.616 nan 8.230 nan 0.000 0.403 152 L N 4.231 125.496 121.223 0.070 0.000 2.362 152 L HA 0.940 5.279 4.340 -0.001 0.000 0.271 152 L C -0.280 176.664 176.870 0.123 0.000 1.002 152 L CA -0.863 54.034 54.840 0.095 0.000 0.818 152 L CB 2.027 44.120 42.059 0.057 0.000 1.298 152 L HN 0.723 nan 8.230 nan 0.000 0.420 153 A N 3.213 126.145 122.820 0.187 0.000 2.304 153 A HA 0.708 5.028 4.320 -0.001 0.000 0.314 153 A C -1.242 176.518 177.584 0.294 0.000 1.187 153 A CA -0.405 51.756 52.037 0.207 0.000 0.810 153 A CB 1.262 20.363 19.000 0.168 0.000 1.183 153 A HN 0.523 nan 8.150 nan 0.000 0.487 154 L N 2.845 124.198 121.223 0.217 0.000 2.298 154 L HA 0.514 4.854 4.340 -0.001 0.000 0.284 154 L C -0.691 176.305 176.870 0.209 0.000 1.013 154 L CA 0.176 55.140 54.840 0.206 0.000 0.824 154 L CB 1.279 43.421 42.059 0.139 0.000 1.221 154 L HN 0.695 nan 8.230 nan 0.000 0.418 155 Q N 4.019 123.979 119.800 0.268 0.000 2.375 155 Q HA 0.881 5.221 4.340 -0.001 0.000 0.271 155 Q C -0.318 175.779 176.000 0.160 0.000 1.074 155 Q CA -0.522 55.412 55.803 0.219 0.000 0.808 155 Q CB 2.455 31.345 28.738 0.254 0.000 1.327 155 Q HN 0.918 nan 8.270 nan 0.000 0.441 156 G N 1.828 110.684 108.800 0.093 0.000 2.339 156 G HA2 0.002 3.962 3.960 -0.001 0.000 0.381 156 G HA3 0.002 3.962 3.960 -0.001 0.000 0.381 156 G C -2.531 172.372 174.900 0.005 0.000 1.400 156 G CA -0.699 44.420 45.100 0.031 0.000 1.002 156 G HN 0.311 nan 8.290 nan 0.000 0.633 157 P HA -0.067 nan 4.420 nan 0.000 0.221 157 P C 1.375 178.656 177.300 -0.031 0.000 1.145 157 P CA 2.328 65.400 63.100 -0.046 0.000 0.795 157 P CB 0.007 31.656 31.700 -0.086 0.000 0.775 158 T N -5.212 109.334 114.554 -0.012 0.000 3.129 158 T HA 0.532 4.882 4.350 -0.001 0.000 0.267 158 T C 1.707 176.424 174.700 0.029 0.000 1.018 158 T CA 0.278 62.385 62.100 0.011 0.000 0.903 158 T CB -0.263 68.631 68.868 0.044 0.000 1.067 158 T HN -0.054 nan 8.240 nan 0.000 0.549 159 A N 1.941 124.782 122.820 0.036 0.000 1.883 159 A HA 0.273 4.593 4.320 -0.001 0.000 0.217 159 A C 2.731 180.344 177.584 0.048 0.000 1.186 159 A CA 1.746 53.819 52.037 0.060 0.000 0.624 159 A CB -1.406 17.643 19.000 0.082 0.000 0.822 159 A HN 0.756 nan 8.150 nan 0.000 0.444 160 A N 0.382 123.212 122.820 0.016 0.000 1.883 160 A HA -0.259 4.061 4.320 -0.001 0.000 0.217 160 A C 2.230 179.808 177.584 -0.011 0.000 1.186 160 A CA 2.044 54.074 52.037 -0.012 0.000 0.624 160 A CB -0.831 18.121 19.000 -0.081 0.000 0.822 160 A HN 0.810 nan 8.150 nan 0.000 0.444 161 Q N -0.624 119.169 119.800 -0.012 0.000 2.167 161 Q HA -0.078 4.262 4.340 -0.001 0.000 0.202 161 Q C 1.709 177.728 176.000 0.032 0.000 0.970 161 Q CA 1.799 57.600 55.803 -0.003 0.000 0.855 161 Q CB -0.639 28.097 28.738 -0.003 0.000 0.911 161 Q HN 0.304 nan 8.270 nan 0.000 0.438 162 V N 1.022 120.971 119.914 0.057 0.000 2.295 162 V HA -0.232 3.887 4.120 -0.001 0.000 0.246 162 V C 2.200 178.399 176.094 0.174 0.000 1.049 162 V CA 1.563 63.926 62.300 0.106 0.000 1.024 162 V CB -0.517 31.363 31.823 0.096 0.000 0.648 162 V HN 0.358 nan 8.190 nan 0.000 0.447 163 L N -0.057 121.246 121.223 0.133 0.000 2.156 163 L HA -0.116 4.223 4.340 -0.001 0.000 0.208 163 L C 2.413 179.262 176.870 -0.036 0.000 1.095 163 L CA 1.837 56.755 54.840 0.129 0.000 0.770 163 L CB -0.714 41.401 42.059 0.093 0.000 0.914 163 L HN 0.340 nan 8.230 nan 0.000 0.439 164 Q N 0.108 119.891 119.800 -0.029 0.000 2.152 164 Q HA -0.185 4.154 4.340 -0.001 0.000 0.206 164 Q C 2.071 177.999 176.000 -0.121 0.000 0.985 164 Q CA 1.980 57.739 55.803 -0.073 0.000 0.863 164 Q CB -0.450 28.260 28.738 -0.046 0.000 0.904 164 Q HN 0.585 nan 8.270 nan 0.000 0.422 165 A N -1.023 121.745 122.820 -0.086 0.000 2.172 165 A HA 0.073 4.392 4.320 -0.001 0.000 0.216 165 A C 1.849 179.230 177.584 -0.338 0.000 1.154 165 A CA 1.256 53.238 52.037 -0.093 0.000 0.701 165 A CB -0.547 18.491 19.000 0.064 0.000 0.789 165 A HN 0.474 nan 8.150 nan 0.000 0.465 166 G N -0.940 107.399 108.800 -0.768 0.000 3.192 166 G HA2 0.413 4.372 3.960 -0.001 0.000 0.239 166 G HA3 0.413 4.372 3.960 -0.001 0.000 0.239 166 G C 0.175 174.666 174.900 -0.681 0.000 1.084 166 G CA 0.748 44.986 45.100 -1.435 0.000 0.784 166 G HN 0.978 nan 8.290 nan 0.000 0.540 167 V N -3.376 116.313 119.914 -0.374 0.000 2.876 167 V HA 0.841 4.960 4.120 -0.001 0.000 0.312 167 V C 0.769 176.783 176.094 -0.133 0.000 1.085 167 V CA -0.269 61.907 62.300 -0.207 0.000 0.945 167 V CB 1.357 33.092 31.823 -0.146 0.000 1.017 167 V HN 0.112 nan 8.190 nan 0.000 0.428 168 A N 1.925 124.689 122.820 -0.093 0.000 1.930 168 A HA 0.126 4.446 4.320 -0.001 0.000 0.215 168 A C 0.742 178.297 177.584 -0.048 0.000 1.176 168 A CA 1.023 53.022 52.037 -0.063 0.000 0.632 168 A CB -0.827 18.145 19.000 -0.047 0.000 0.819 168 A HN 1.005 nan 8.150 nan 0.000 0.445 169 D N 1.275 121.648 120.400 -0.045 0.000 2.443 169 D HA 0.214 4.854 4.640 -0.001 0.000 0.239 169 D C -0.214 176.070 176.300 -0.027 0.000 1.136 169 D CA 0.156 54.139 54.000 -0.029 0.000 0.879 169 D CB 0.474 41.260 40.800 -0.023 0.000 1.195 169 D HN 0.189 nan 8.370 nan 0.000 0.443 170 D N 2.001 122.393 120.400 -0.014 0.000 2.336 170 D HA 0.031 4.670 4.640 -0.001 0.000 0.249 170 D C 0.957 177.257 176.300 0.000 0.000 1.213 170 D CA -0.225 53.769 54.000 -0.011 0.000 0.870 170 D CB 0.747 41.547 40.800 -0.000 0.000 1.076 170 D HN 0.379 nan 8.370 nan 0.000 0.483 171 L N 3.708 124.922 121.223 -0.016 0.000 2.450 171 L HA -0.093 4.246 4.340 -0.001 0.000 0.224 171 L C 2.354 179.233 176.870 0.015 0.000 1.149 171 L CA 0.555 55.392 54.840 -0.006 0.000 0.816 171 L CB -0.129 41.908 42.059 -0.036 0.000 0.932 171 L HN 0.281 nan 8.230 nan 0.000 0.449 172 R N 0.322 120.828 120.500 0.010 0.000 2.237 172 R HA -0.112 4.227 4.340 -0.001 0.000 0.219 172 R C 1.581 178.033 176.300 0.254 0.000 1.080 172 R CA 0.785 56.942 56.100 0.096 0.000 0.995 172 R CB -0.075 30.270 30.300 0.075 0.000 0.875 172 R HN 0.362 nan 8.270 nan 0.000 0.462 173 K N 0.346 120.831 120.400 0.142 0.000 2.458 173 K HA 0.044 4.364 4.320 -0.001 0.000 0.194 173 K C -0.111 176.560 176.600 0.118 0.000 1.024 173 K CA 0.091 56.446 56.287 0.113 0.000 1.108 173 K CB 0.384 32.919 32.500 0.058 0.000 0.846 173 K HN -0.047 nan 8.250 nan 0.000 0.518 174 L N 2.132 123.459 121.223 0.175 0.000 2.504 174 L HA 0.315 4.655 4.340 -0.001 0.000 0.249 174 L C -2.775 174.243 176.870 0.247 0.000 1.120 174 L CA -2.430 52.500 54.840 0.150 0.000 0.997 174 L CB 0.607 42.729 42.059 0.106 0.000 1.349 174 L HN -0.168 nan 8.230 nan 0.000 0.439 175 P HA 0.018 nan 4.420 nan 0.000 0.272 175 P C -0.554 176.836 177.300 0.151 0.000 1.240 175 P CA -0.327 62.822 63.100 0.082 0.000 0.791 175 P CB 0.317 31.974 31.700 -0.072 0.000 0.978 176 F N 3.102 123.048 119.950 -0.008 0.000 2.604 176 F HA -0.042 4.484 4.527 -0.001 0.000 0.393 176 F C 1.093 176.852 175.800 -0.068 0.000 1.043 176 F CA 0.739 58.718 58.000 -0.036 0.000 1.227 176 F CB -0.374 38.578 39.000 -0.081 0.000 1.016 176 F HN 0.253 nan 8.300 nan 0.000 0.556 177 M N 2.602 121.851 119.600 -0.584 0.000 2.976 177 M HA -0.200 4.280 4.480 -0.001 0.000 0.206 177 M C 0.197 176.357 176.300 -0.232 0.000 0.591 177 M CA 1.284 56.253 55.300 -0.552 0.000 0.777 177 M CB -3.123 29.047 32.600 -0.717 0.000 2.782 177 M HN 0.729 nan 8.290 nan 0.000 0.331 178 T N -1.279 113.205 114.554 -0.117 0.000 2.950 178 T HA 0.868 5.218 4.350 -0.001 0.000 0.288 178 T C 0.412 175.097 174.700 -0.025 0.000 1.035 178 T CA 0.200 62.265 62.100 -0.057 0.000 1.028 178 T CB 3.016 71.869 68.868 -0.025 0.000 1.109 178 T HN 0.500 nan 8.240 nan 0.000 0.514 179 S N -0.317 115.372 115.700 -0.018 0.000 2.671 179 S HA 0.944 5.413 4.470 -0.001 0.000 0.277 179 S C -1.029 173.559 174.600 -0.020 0.000 1.165 179 S CA -0.695 57.499 58.200 -0.009 0.000 0.822 179 S CB 1.346 64.545 63.200 -0.001 0.000 1.150 179 S HN 1.905 nan 8.310 nan 0.000 0.479 180 A N 0.140 122.944 122.820 -0.026 0.000 2.599 180 A HA 0.661 4.981 4.320 -0.001 0.000 0.294 180 A C -1.455 176.104 177.584 -0.042 0.000 1.055 180 A CA -0.688 51.329 52.037 -0.033 0.000 0.683 180 A CB 0.930 19.919 19.000 -0.018 0.000 1.278 180 A HN 1.208 nan 8.150 nan 0.000 0.412 181 V N 2.536 122.424 119.914 -0.043 0.000 2.432 181 V HA 0.674 4.793 4.120 -0.001 0.000 0.275 181 V C 0.287 176.363 176.094 -0.030 0.000 1.043 181 V CA 0.359 62.633 62.300 -0.043 0.000 0.925 181 V CB 0.465 32.265 31.823 -0.038 0.000 0.985 181 V HN 1.007 nan 8.190 nan 0.000 0.466 182 M N 2.251 121.835 119.600 -0.027 0.000 2.644 182 M HA 0.648 5.127 4.480 -0.001 0.000 0.273 182 M C -0.879 175.409 176.300 -0.020 0.000 1.253 182 M CA -0.813 54.472 55.300 -0.024 0.000 0.852 182 M CB 2.361 34.944 32.600 -0.028 0.000 1.708 182 M HN 0.444 nan 8.290 nan 0.000 0.471 183 E N 1.435 121.621 120.200 -0.024 0.000 2.194 183 E HA 0.505 4.854 4.350 -0.001 0.000 0.284 183 E C -1.650 174.933 176.600 -0.028 0.000 1.035 183 E CA -0.578 55.813 56.400 -0.015 0.000 0.836 183 E CB 1.266 30.956 29.700 -0.017 0.000 1.070 183 E HN 0.549 nan 8.360 nan 0.000 0.401 184 V N 6.320 126.242 119.914 0.012 0.000 2.378 184 V HA 0.224 4.343 4.120 -0.001 0.000 0.288 184 V C -0.202 175.984 176.094 0.153 0.000 1.016 184 V CA -0.619 61.690 62.300 0.015 0.000 0.840 184 V CB 0.425 32.303 31.823 0.092 0.000 0.994 184 V HN 0.885 nan 8.190 nan 0.000 0.431 185 F N 4.116 124.099 119.950 0.054 0.000 3.004 185 F HA -0.223 4.303 4.527 -0.001 0.000 0.264 185 F C 1.656 177.562 175.800 0.176 0.000 0.979 185 F CA 1.249 59.308 58.000 0.098 0.000 0.896 185 F CB -1.189 37.845 39.000 0.057 0.000 0.813 185 F HN 0.972 nan 8.300 nan 0.000 0.804 186 G N -1.721 107.184 108.800 0.176 0.000 2.199 186 G HA2 -0.265 3.695 3.960 -0.001 0.000 0.254 186 G HA3 -0.265 3.695 3.960 -0.001 0.000 0.254 186 G C -0.012 174.921 174.900 0.055 0.000 0.982 186 G CA -0.091 45.070 45.100 0.101 0.000 0.632 186 G HN 0.698 nan 8.290 nan 0.000 0.529 187 V N 2.419 122.395 119.914 0.103 0.000 2.368 187 V HA 0.569 4.689 4.120 -0.001 0.000 0.266 187 V C 0.806 176.922 176.094 0.036 0.000 1.045 187 V CA -0.027 62.311 62.300 0.063 0.000 0.899 187 V CB 1.274 33.159 31.823 0.104 0.000 1.006 187 V HN 0.362 nan 8.190 nan 0.000 0.470 188 S N 3.167 118.875 115.700 0.012 0.000 2.603 188 S HA 0.538 5.008 4.470 -0.001 0.000 0.268 188 S C 1.246 175.845 174.600 -0.001 0.000 1.317 188 S CA 0.376 58.578 58.200 0.002 0.000 1.012 188 S CB 1.195 64.392 63.200 -0.005 0.000 0.926 188 S HN 1.556 nan 8.310 nan 0.000 0.539 189 G N 0.191 108.986 108.800 -0.008 0.000 2.160 189 G HA2 -0.241 3.718 3.960 -0.001 0.000 0.251 189 G HA3 -0.241 3.718 3.960 -0.001 0.000 0.251 189 G C 0.166 175.052 174.900 -0.022 0.000 1.008 189 G CA -0.035 45.056 45.100 -0.015 0.000 0.724 189 G HN 0.749 nan 8.290 nan 0.000 0.514 190 C N -0.264 119.026 119.300 -0.016 0.000 2.466 190 C HA 0.754 5.213 4.460 -0.001 0.000 0.379 190 C C 0.969 175.932 174.990 -0.045 0.000 1.251 190 C CA -0.699 58.308 59.018 -0.019 0.000 2.263 190 C CB 1.198 28.944 27.740 0.010 0.000 2.511 190 C HN 0.649 nan 8.230 nan 0.000 0.573 191 R N 1.510 121.966 120.500 -0.073 0.000 2.343 191 R HA 0.642 4.981 4.340 -0.001 0.000 0.320 191 R C -1.641 174.629 176.300 -0.050 0.000 0.956 191 R CA -0.231 55.804 56.100 -0.108 0.000 0.836 191 R CB 0.853 30.997 30.300 -0.261 0.000 1.151 191 R HN 0.633 nan 8.270 nan 0.000 0.450 192 V N 4.136 124.036 119.914 -0.024 0.000 2.370 192 V HA 0.378 4.498 4.120 -0.001 0.000 0.283 192 V C -0.263 175.844 176.094 0.021 0.000 1.023 192 V CA -0.477 61.831 62.300 0.013 0.000 0.857 192 V CB 1.780 33.613 31.823 0.017 0.000 0.985 192 V HN 0.833 nan 8.190 nan 0.000 0.443 193 T N 4.505 119.087 114.554 0.046 0.000 2.829 193 T HA 0.406 4.756 4.350 -0.001 0.000 0.280 193 T C -0.041 174.694 174.700 0.058 0.000 0.999 193 T CA -0.621 61.507 62.100 0.046 0.000 0.983 193 T CB 1.436 70.345 68.868 0.068 0.000 0.968 193 T HN 0.505 nan 8.240 nan 0.000 0.446 194 R N 2.635 123.168 120.500 0.055 0.000 2.891 194 R HA 0.458 4.798 4.340 -0.001 0.000 0.248 194 R C -0.328 176.040 176.300 0.113 0.000 1.439 194 R CA -0.269 55.904 56.100 0.121 0.000 1.288 194 R CB -1.492 28.912 30.300 0.173 0.000 1.212 194 R HN 0.857 nan 8.270 nan 0.000 0.605 195 C N -1.067 118.309 119.300 0.128 0.000 3.316 195 C HA 1.025 5.484 4.460 -0.001 0.000 0.360 195 C C 0.033 175.125 174.990 0.169 0.000 1.560 195 C CA -0.279 58.818 59.018 0.131 0.000 1.229 195 C CB 1.398 29.124 27.740 -0.024 0.000 1.823 195 C HN 0.722 nan 8.230 nan 0.000 0.440 196 G N -1.374 107.530 108.800 0.173 0.000 2.321 196 G HA2 0.496 4.455 3.960 -0.001 0.000 0.296 196 G HA3 0.496 4.455 3.960 -0.001 0.000 0.296 196 G C -1.979 173.058 174.900 0.228 0.000 1.287 196 G CA 0.126 45.324 45.100 0.163 0.000 0.846 196 G HN 1.604 nan 8.290 nan 0.000 0.508 197 Y N 0.693 120.986 120.300 -0.011 0.000 2.696 197 Y HA 0.410 4.960 4.550 -0.001 0.000 0.255 197 Y C 1.596 177.475 175.900 -0.036 0.000 1.103 197 Y CA 0.492 58.583 58.100 -0.015 0.000 1.126 197 Y CB 0.470 38.882 38.460 -0.080 0.000 1.197 197 Y HN 0.767 nan 8.280 nan 0.000 0.574 198 T N -5.053 109.512 114.554 0.019 0.000 2.986 198 T HA 0.374 4.723 4.350 -0.001 0.000 0.264 198 T C 1.617 176.302 174.700 -0.024 0.000 0.964 198 T CA 0.513 62.577 62.100 -0.060 0.000 0.895 198 T CB 0.335 69.179 68.868 -0.039 0.000 1.163 198 T HN 0.515 nan 8.240 nan 0.000 0.517 199 G N 1.270 110.116 108.800 0.076 0.000 2.225 199 G HA2 -0.205 3.754 3.960 -0.001 0.000 0.254 199 G HA3 -0.205 3.754 3.960 -0.001 0.000 0.254 199 G C -0.034 174.753 174.900 -0.188 0.000 0.988 199 G CA 0.220 45.281 45.100 -0.067 0.000 0.625 199 G HN 0.603 nan 8.290 nan 0.000 0.527 200 E N 0.689 120.878 120.200 -0.018 0.000 2.292 200 E HA 0.464 4.814 4.350 -0.001 0.000 0.258 200 E C -0.001 176.659 176.600 0.100 0.000 1.115 200 E CA -0.636 55.750 56.400 -0.024 0.000 0.929 200 E CB 0.721 30.420 29.700 -0.001 0.000 1.161 200 E HN 0.254 nan 8.360 nan 0.000 0.453 201 D N -0.903 119.543 120.400 0.076 0.000 2.357 201 D HA 0.451 5.091 4.640 -0.001 0.000 0.242 201 D C -0.158 176.227 176.300 0.142 0.000 1.153 201 D CA 0.413 54.499 54.000 0.143 0.000 0.918 201 D CB 0.734 41.589 40.800 0.092 0.000 1.181 201 D HN 0.478 nan 8.370 nan 0.000 0.435 202 G N -0.759 108.141 108.800 0.168 0.000 2.328 202 G HA2 0.490 4.450 3.960 -0.001 0.000 0.295 202 G HA3 0.490 4.450 3.960 -0.001 0.000 0.295 202 G C -1.325 173.668 174.900 0.154 0.000 1.413 202 G CA -0.233 44.957 45.100 0.150 0.000 0.817 202 G HN 0.979 nan 8.290 nan 0.000 0.546 203 V N -3.260 116.735 119.914 0.134 0.000 3.078 203 V HA 0.935 5.055 4.120 -0.001 0.000 0.311 203 V C -0.831 175.330 176.094 0.113 0.000 1.138 203 V CA -1.076 61.295 62.300 0.117 0.000 1.007 203 V CB 2.130 34.012 31.823 0.098 0.000 1.045 203 V HN 0.850 nan 8.190 nan 0.000 0.432 204 E N 1.901 122.159 120.200 0.097 0.000 2.210 204 E HA 0.649 4.998 4.350 -0.001 0.000 0.266 204 E C -1.509 175.142 176.600 0.085 0.000 0.883 204 E CA -0.618 55.837 56.400 0.093 0.000 0.761 204 E CB 2.812 32.561 29.700 0.082 0.000 1.156 204 E HN 0.709 nan 8.360 nan 0.000 0.412 205 I N 1.744 122.363 120.570 0.081 0.000 2.410 205 I HA 0.145 4.315 4.170 -0.001 0.000 0.286 205 I C 0.042 176.193 176.117 0.056 0.000 1.009 205 I CA -0.550 60.788 61.300 0.064 0.000 1.111 205 I CB 1.886 39.927 38.000 0.069 0.000 1.262 205 I HN 0.245 nan 8.210 nan 0.000 0.443 206 S N 6.135 121.858 115.700 0.037 0.000 2.416 206 S HA 0.445 4.914 4.470 -0.001 0.000 0.287 206 S C -0.670 173.935 174.600 0.008 0.000 1.139 206 S CA -0.422 57.797 58.200 0.032 0.000 1.058 206 S CB 0.639 63.833 63.200 -0.011 0.000 0.967 206 S HN 0.437 nan 8.310 nan 0.000 0.495 207 V N 7.523 127.449 119.914 0.021 0.000 2.604 207 V HA 0.635 4.754 4.120 -0.001 0.000 0.305 207 V C -2.621 173.483 176.094 0.016 0.000 1.043 207 V CA -2.489 59.822 62.300 0.018 0.000 0.888 207 V CB 1.977 33.817 31.823 0.029 0.000 0.995 207 V HN 0.677 nan 8.190 nan 0.000 0.429 208 P HA 0.058 nan 4.420 nan 0.000 0.264 208 P C 1.000 178.309 177.300 0.015 0.000 1.183 208 P CA 0.251 63.358 63.100 0.011 0.000 0.763 208 P CB 0.837 32.541 31.700 0.007 0.000 0.807 209 V N 3.861 123.785 119.914 0.017 0.000 2.317 209 V HA -0.343 3.777 4.120 -0.001 0.000 0.251 209 V C 2.322 178.426 176.094 0.017 0.000 1.065 209 V CA 2.681 64.993 62.300 0.019 0.000 1.049 209 V CB -1.601 30.238 31.823 0.026 0.000 0.651 209 V HN 0.690 nan 8.190 nan 0.000 0.450 210 A N 0.042 122.871 122.820 0.015 0.000 2.032 210 A HA -0.085 4.234 4.320 -0.001 0.000 0.221 210 A C 2.127 179.720 177.584 0.014 0.000 1.165 210 A CA 1.937 53.981 52.037 0.012 0.000 0.645 210 A CB -0.665 18.338 19.000 0.004 0.000 0.807 210 A HN 0.628 nan 8.150 nan 0.000 0.453 211 G N -2.268 106.545 108.800 0.022 0.000 3.324 211 G HA2 0.389 4.348 3.960 -0.001 0.000 0.251 211 G HA3 0.389 4.348 3.960 -0.001 0.000 0.251 211 G C 1.226 176.160 174.900 0.057 0.000 1.072 211 G CA 0.934 46.062 45.100 0.048 0.000 0.787 211 G HN 0.607 nan 8.290 nan 0.000 0.537 212 A N 0.555 123.383 122.820 0.012 0.000 1.865 212 A HA -0.012 4.308 4.320 -0.001 0.000 0.217 212 A C 2.499 180.015 177.584 -0.114 0.000 1.191 212 A CA 1.986 54.000 52.037 -0.039 0.000 0.623 212 A CB -0.668 18.307 19.000 -0.042 0.000 0.826 212 A HN 0.254 nan 8.150 nan 0.000 0.444 213 V N -0.375 119.478 119.914 -0.101 0.000 2.343 213 V HA -0.289 3.831 4.120 -0.001 0.000 0.247 213 V C 2.489 178.518 176.094 -0.108 0.000 1.051 213 V CA 2.571 64.768 62.300 -0.171 0.000 1.036 213 V CB -1.099 30.698 31.823 -0.043 0.000 0.654 213 V HN 0.872 nan 8.190 nan 0.000 0.451 214 H N -0.069 118.953 119.070 -0.081 0.000 2.352 214 H HA -0.201 4.355 4.556 -0.001 0.000 0.299 214 H C 1.949 177.217 175.328 -0.100 0.000 1.097 214 H CA 2.305 58.320 56.048 -0.056 0.000 1.311 214 H CB -0.171 29.580 29.762 -0.017 0.000 1.377 214 H HN 0.287 nan 8.280 nan 0.000 0.504 215 L N 0.397 121.562 121.223 -0.097 0.000 2.027 215 L HA 0.004 4.344 4.340 -0.001 0.000 0.206 215 L C 2.482 179.180 176.870 -0.286 0.000 1.074 215 L CA 2.012 56.758 54.840 -0.157 0.000 0.745 215 L CB -1.383 40.681 42.059 0.009 0.000 0.898 215 L HN 0.405 nan 8.230 nan 0.000 0.433 216 A N -1.574 121.067 122.820 -0.299 0.000 1.902 216 A HA -0.209 4.111 4.320 -0.001 0.000 0.217 216 A C 2.284 179.718 177.584 -0.250 0.000 1.181 216 A CA 2.362 54.175 52.037 -0.372 0.000 0.623 216 A CB -1.242 17.269 19.000 -0.814 0.000 0.818 216 A HN 0.509 nan 8.150 nan 0.000 0.443 217 T N 0.098 114.533 114.554 -0.198 0.000 2.777 217 T HA 0.024 4.374 4.350 -0.001 0.000 0.266 217 T C 2.223 176.772 174.700 -0.251 0.000 1.040 217 T CA 1.465 63.533 62.100 -0.053 0.000 1.141 217 T CB -0.420 68.453 68.868 0.008 0.000 0.868 217 T HN 0.596 nan 8.240 nan 0.000 0.444 218 A N 1.080 123.607 122.820 -0.490 0.000 1.908 218 A HA -0.037 4.283 4.320 -0.001 0.000 0.218 218 A C 2.258 179.391 177.584 -0.751 0.000 1.181 218 A CA 1.272 52.870 52.037 -0.731 0.000 0.627 218 A CB -0.722 17.570 19.000 -1.180 0.000 0.818 218 A HN 0.532 nan 8.150 nan 0.000 0.445 219 I N -1.136 119.054 120.570 -0.634 0.000 2.233 219 I HA -0.177 3.993 4.170 -0.001 0.000 0.243 219 I C 2.334 178.328 176.117 -0.205 0.000 1.093 219 I CA 0.957 62.034 61.300 -0.371 0.000 1.380 219 I CB -0.230 37.651 38.000 -0.197 0.000 1.067 219 I HN 0.344 nan 8.210 nan 0.000 0.413 220 L N 1.133 122.250 121.223 -0.176 0.000 2.191 220 L HA -0.167 4.172 4.340 -0.001 0.000 0.212 220 L C 2.253 179.034 176.870 -0.149 0.000 1.103 220 L CA 1.776 56.527 54.840 -0.148 0.000 0.769 220 L CB -0.641 41.336 42.059 -0.137 0.000 0.908 220 L HN 0.073 nan 8.230 nan 0.000 0.438 221 K N -0.414 119.896 120.400 -0.151 0.000 2.209 221 K HA -0.135 4.185 4.320 -0.001 0.000 0.204 221 K C 0.739 177.285 176.600 -0.090 0.000 1.048 221 K CA 0.269 56.486 56.287 -0.116 0.000 0.940 221 K CB -0.347 32.083 32.500 -0.117 0.000 0.729 221 K HN 0.334 nan 8.250 nan 0.000 0.451 222 N N 1.288 119.937 118.700 -0.085 0.000 2.468 222 N HA -0.008 4.732 4.740 -0.001 0.000 0.265 222 N C -2.138 173.340 175.510 -0.053 0.000 1.199 222 N CA -1.352 51.672 53.050 -0.045 0.000 0.928 222 N CB 1.330 39.810 38.487 -0.013 0.000 1.059 222 N HN -0.178 nan 8.380 nan 0.000 0.467 223 P HA -0.116 nan 4.420 nan 0.000 0.218 223 P C 0.693 177.949 177.300 -0.074 0.000 1.146 223 P CA 1.038 64.098 63.100 -0.068 0.000 0.813 223 P CB 0.382 32.047 31.700 -0.058 0.000 0.778 224 E N -0.760 119.415 120.200 -0.041 0.000 2.204 224 E HA -0.026 4.324 4.350 -0.001 0.000 0.194 224 E C 0.585 177.239 176.600 0.090 0.000 0.989 224 E CA 0.611 56.999 56.400 -0.021 0.000 0.824 224 E CB -0.233 29.487 29.700 0.035 0.000 0.756 224 E HN 0.149 nan 8.360 nan 0.000 0.477 225 V N 1.595 121.537 119.914 0.046 0.000 2.481 225 V HA 0.259 4.378 4.120 -0.001 0.000 0.286 225 V C 0.245 176.300 176.094 -0.065 0.000 1.042 225 V CA -0.293 62.039 62.300 0.053 0.000 0.928 225 V CB 1.589 33.398 31.823 -0.023 0.000 0.986 225 V HN -0.070 nan 8.190 nan 0.000 0.462 226 K N 3.613 123.952 120.400 -0.101 0.000 2.469 226 K HA 0.604 4.923 4.320 -0.001 0.000 0.254 226 K C -1.272 175.134 176.600 -0.323 0.000 0.939 226 K CA -0.860 55.231 56.287 -0.326 0.000 0.812 226 K CB 2.601 34.738 32.500 -0.606 0.000 1.301 226 K HN 0.453 nan 8.250 nan 0.000 0.433 227 L N 1.685 122.615 121.223 -0.488 0.000 2.452 227 L HA 0.419 4.759 4.340 -0.001 0.000 0.267 227 L C 0.095 176.672 176.870 -0.489 0.000 1.188 227 L CA -0.231 54.248 54.840 -0.601 0.000 0.821 227 L CB 0.844 42.190 42.059 -1.188 0.000 1.102 227 L HN 0.694 nan 8.230 nan 0.000 0.470 228 A N 1.485 124.062 122.820 -0.404 0.000 2.393 228 A HA 0.756 5.076 4.320 -0.001 0.000 0.306 228 A C -0.105 177.494 177.584 0.025 0.000 1.050 228 A CA -0.151 51.702 52.037 -0.307 0.000 0.724 228 A CB 1.532 19.974 19.000 -0.930 0.000 1.248 228 A HN 0.761 nan 8.150 nan 0.000 0.424 229 G N -0.237 108.688 108.800 0.207 0.000 2.583 229 G HA2 0.475 4.434 3.960 -0.001 0.000 0.280 229 G HA3 0.475 4.434 3.960 -0.001 0.000 0.280 229 G C 0.777 175.772 174.900 0.158 0.000 1.376 229 G CA -0.686 44.494 45.100 0.134 0.000 1.043 229 G HN 0.660 nan 8.290 nan 0.000 0.538 230 L N 0.098 121.332 121.223 0.018 0.000 2.042 230 L HA -0.120 4.220 4.340 -0.001 0.000 0.210 230 L C 3.329 180.220 176.870 0.035 0.000 1.076 230 L CA 1.568 56.392 54.840 -0.027 0.000 0.749 230 L CB -0.550 41.418 42.059 -0.151 0.000 0.893 230 L HN 0.568 nan 8.230 nan 0.000 0.432 231 A N 0.179 123.010 122.820 0.018 0.000 1.877 231 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 231 A C 2.549 180.163 177.584 0.051 0.000 1.186 231 A CA 1.883 53.886 52.037 -0.057 0.000 0.620 231 A CB -0.793 18.069 19.000 -0.231 0.000 0.822 231 A HN 0.397 nan 8.150 nan 0.000 0.443 232 A N -0.481 122.456 122.820 0.194 0.000 1.930 232 A HA -0.146 4.173 4.320 -0.001 0.000 0.217 232 A C 2.237 180.002 177.584 0.303 0.000 1.175 232 A CA 1.697 53.920 52.037 0.310 0.000 0.627 232 A CB -0.501 18.696 19.000 0.328 0.000 0.815 232 A HN 0.569 nan 8.150 nan 0.000 0.443 233 R N -0.378 120.319 120.500 0.328 0.000 2.105 233 R HA -0.213 4.126 4.340 -0.001 0.000 0.239 233 R C 1.781 178.128 176.300 0.079 0.000 1.135 233 R CA 2.037 58.253 56.100 0.194 0.000 0.967 233 R CB -0.349 30.057 30.300 0.176 0.000 0.861 233 R HN 0.528 nan 8.270 nan 0.000 0.442 234 D N -0.483 119.977 120.400 0.100 0.000 2.123 234 D HA -0.106 4.534 4.640 -0.001 0.000 0.200 234 D C 1.927 178.258 176.300 0.053 0.000 0.976 234 D CA 1.718 55.759 54.000 0.070 0.000 0.831 234 D CB 0.057 40.902 40.800 0.075 0.000 0.974 234 D HN 0.317 nan 8.370 nan 0.000 0.469 235 S N -0.386 115.383 115.700 0.114 0.000 2.402 235 S HA -0.108 4.362 4.470 -0.001 0.000 0.229 235 S C 2.254 177.003 174.600 0.249 0.000 1.021 235 S CA 0.567 58.865 58.200 0.164 0.000 0.974 235 S CB -0.668 62.657 63.200 0.208 0.000 0.800 235 S HN 0.299 nan 8.310 nan 0.000 0.484 236 L N 1.714 123.044 121.223 0.179 0.000 2.027 236 L HA -0.088 4.251 4.340 -0.001 0.000 0.206 236 L C 3.003 179.824 176.870 -0.081 0.000 1.074 236 L CA 1.715 56.544 54.840 -0.019 0.000 0.745 236 L CB -0.497 41.479 42.059 -0.137 0.000 0.898 236 L HN 0.410 nan 8.230 nan 0.000 0.433 237 R N 0.199 120.571 120.500 -0.213 0.000 2.092 237 R HA -0.174 4.165 4.340 -0.001 0.000 0.231 237 R C 2.026 178.225 176.300 -0.169 0.000 1.119 237 R CA 1.330 57.178 56.100 -0.421 0.000 0.970 237 R CB -1.188 28.466 30.300 -1.076 0.000 0.864 237 R HN 0.152 nan 8.270 nan 0.000 0.440 238 L N 1.365 122.557 121.223 -0.051 0.000 2.017 238 L HA -0.052 4.288 4.340 -0.001 0.000 0.208 238 L C 1.854 178.831 176.870 0.178 0.000 1.073 238 L CA 1.873 56.747 54.840 0.057 0.000 0.745 238 L CB -0.633 41.439 42.059 0.021 0.000 0.894 238 L HN 0.343 nan 8.230 nan 0.000 0.432 239 E N -0.540 119.742 120.200 0.136 0.000 2.160 239 E HA -0.179 4.170 4.350 -0.001 0.000 0.195 239 E C 1.892 178.651 176.600 0.264 0.000 0.991 239 E CA 1.051 57.593 56.400 0.237 0.000 0.810 239 E CB -0.262 29.539 29.700 0.168 0.000 0.742 239 E HN 0.616 nan 8.360 nan 0.000 0.466 240 A N 0.274 123.155 122.820 0.102 0.000 2.235 240 A HA 0.205 4.524 4.320 -0.001 0.000 0.208 240 A C 1.665 179.265 177.584 0.026 0.000 1.172 240 A CA 0.771 52.822 52.037 0.024 0.000 0.786 240 A CB -0.428 18.553 19.000 -0.031 0.000 0.804 240 A HN 0.327 nan 8.150 nan 0.000 0.479 241 G N -0.964 107.891 108.800 0.091 0.000 2.160 241 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.251 241 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.251 241 G C 0.013 174.961 174.900 0.079 0.000 1.008 241 G CA 0.445 45.571 45.100 0.043 0.000 0.724 241 G HN 0.495 nan 8.290 nan 0.000 0.514 242 L N 0.034 121.298 121.223 0.069 0.000 2.326 242 L HA 0.415 4.754 4.340 -0.001 0.000 0.278 242 L C 1.273 178.241 176.870 0.163 0.000 1.092 242 L CA -1.137 53.778 54.840 0.125 0.000 0.810 242 L CB 1.094 43.172 42.059 0.032 0.000 1.153 242 L HN 0.176 nan 8.230 nan 0.000 0.439 243 C N 3.261 122.707 119.300 0.244 0.000 2.657 243 C HA 0.317 4.776 4.460 -0.001 0.000 0.404 243 C C 0.360 175.545 174.990 0.325 0.000 1.291 243 C CA -0.407 58.752 59.018 0.235 0.000 2.218 243 C CB 0.652 28.518 27.740 0.210 0.000 2.687 243 C HN 0.517 nan 8.230 nan 0.000 0.634 244 L N 3.549 124.932 121.223 0.267 0.000 2.316 244 L HA 0.405 4.744 4.340 -0.001 0.000 0.280 244 L C -0.605 176.397 176.870 0.219 0.000 1.006 244 L CA -0.338 54.682 54.840 0.301 0.000 0.836 244 L CB 0.090 42.309 42.059 0.266 0.000 1.221 244 L HN 0.687 nan 8.230 nan 0.000 0.418 245 Y N 5.419 125.802 120.300 0.139 0.000 2.712 245 Y HA 0.378 4.928 4.550 -0.001 0.000 0.333 245 Y C 1.471 177.429 175.900 0.097 0.000 1.225 245 Y CA 1.660 59.820 58.100 0.101 0.000 1.499 245 Y CB 0.894 39.397 38.460 0.071 0.000 1.288 245 Y HN 0.926 nan 8.280 nan 0.000 0.575 246 G N 3.357 111.816 108.800 -0.568 0.000 2.258 246 G HA2 -0.360 3.600 3.960 -0.001 0.000 0.233 246 G HA3 -0.360 3.600 3.960 -0.001 0.000 0.233 246 G C 0.764 175.598 174.900 -0.111 0.000 1.006 246 G CA 0.689 45.630 45.100 -0.264 0.000 0.620 246 G HN 0.635 nan 8.290 nan 0.000 0.511 247 N N 0.266 118.932 118.700 -0.056 0.000 2.765 247 N HA 0.188 4.928 4.740 -0.001 0.000 0.230 247 N C 1.322 176.849 175.510 0.028 0.000 1.022 247 N CA 0.970 54.019 53.050 -0.001 0.000 1.106 247 N CB 0.095 38.607 38.487 0.042 0.000 1.527 247 N HN 0.193 nan 8.380 nan 0.000 0.507 248 D N 0.407 120.847 120.400 0.067 0.000 2.305 248 D HA 0.122 4.762 4.640 -0.001 0.000 0.206 248 D C 0.438 176.859 176.300 0.201 0.000 0.974 248 D CA 0.545 54.633 54.000 0.147 0.000 0.871 248 D CB 0.865 41.737 40.800 0.120 0.000 0.947 248 D HN 0.417 nan 8.370 nan 0.000 0.516 249 I N -1.271 119.327 120.570 0.047 0.000 2.894 249 I HA 0.543 4.712 4.170 -0.001 0.000 0.302 249 I C -1.628 174.301 176.117 -0.314 0.000 1.188 249 I CA -1.059 60.246 61.300 0.008 0.000 1.014 249 I CB 2.858 40.926 38.000 0.113 0.000 1.242 249 I HN -0.295 nan 8.210 nan 0.000 0.430 250 D N 1.333 121.600 120.400 -0.223 0.000 2.851 250 D HA 0.156 4.795 4.640 -0.001 0.000 0.339 250 D C -0.095 176.175 176.300 -0.050 0.000 1.347 250 D CA -0.596 53.195 54.000 -0.349 0.000 0.888 250 D CB 0.651 41.264 40.800 -0.311 0.000 1.431 250 D HN 0.616 nan 8.370 nan 0.000 0.509 251 E N -1.508 118.644 120.200 -0.080 0.000 2.401 251 E HA -0.121 4.228 4.350 -0.001 0.000 0.199 251 E C 0.514 176.968 176.600 -0.243 0.000 1.023 251 E CA 0.727 57.041 56.400 -0.143 0.000 0.859 251 E CB -0.150 29.421 29.700 -0.215 0.000 0.780 251 E HN 0.332 nan 8.360 nan 0.000 0.523 252 H N -0.271 118.790 119.070 -0.014 0.000 2.517 252 H HA 0.101 4.656 4.556 -0.001 0.000 0.282 252 H C 0.268 175.555 175.328 -0.069 0.000 1.023 252 H CA 0.600 56.623 56.048 -0.042 0.000 1.169 252 H CB 0.304 30.026 29.762 -0.066 0.000 1.454 252 H HN 0.044 nan 8.280 nan 0.000 0.556 253 T N -0.902 113.669 114.554 0.028 0.000 2.881 253 T HA 0.393 4.743 4.350 -0.001 0.000 0.290 253 T C 0.469 175.202 174.700 0.055 0.000 1.000 253 T CA -0.933 61.173 62.100 0.010 0.000 0.978 253 T CB 2.578 71.446 68.868 0.001 0.000 0.997 253 T HN 0.142 nan 8.240 nan 0.000 0.443 254 T N 0.509 115.101 114.554 0.063 0.000 2.847 254 T HA 0.475 4.824 4.350 -0.001 0.000 0.279 254 T C -1.875 172.863 174.700 0.063 0.000 0.984 254 T CA -1.872 60.268 62.100 0.067 0.000 0.988 254 T CB 0.630 69.540 68.868 0.070 0.000 1.040 254 T HN 0.269 nan 8.240 nan 0.000 0.528 255 P HA -0.003 nan 4.420 nan 0.000 0.220 255 P C 1.528 178.820 177.300 -0.013 0.000 1.148 255 P CA 0.333 63.413 63.100 -0.032 0.000 0.803 255 P CB -0.091 31.545 31.700 -0.107 0.000 0.782 256 V N -0.014 119.917 119.914 0.029 0.000 2.346 256 V HA -0.191 3.929 4.120 -0.001 0.000 0.244 256 V C 2.203 178.350 176.094 0.088 0.000 1.037 256 V CA 1.712 64.040 62.300 0.048 0.000 1.029 256 V CB -1.139 30.720 31.823 0.061 0.000 0.663 256 V HN 0.147 nan 8.190 nan 0.000 0.454 257 E N 0.758 121.030 120.200 0.121 0.000 2.110 257 E HA -0.148 4.201 4.350 -0.001 0.000 0.193 257 E C 2.124 178.909 176.600 0.308 0.000 0.988 257 E CA 1.246 57.771 56.400 0.209 0.000 0.804 257 E CB -0.416 29.392 29.700 0.180 0.000 0.745 257 E HN 0.624 nan 8.360 nan 0.000 0.458 258 G N 0.261 109.201 108.800 0.233 0.000 2.956 258 G HA2 -0.080 3.879 3.960 -0.001 0.000 0.207 258 G HA3 -0.080 3.879 3.960 -0.001 0.000 0.207 258 G C 0.227 175.177 174.900 0.082 0.000 1.162 258 G CA 0.234 45.456 45.100 0.203 0.000 0.796 258 G HN 0.063 nan 8.290 nan 0.000 0.527 259 S N -1.348 114.394 115.700 0.070 0.000 3.631 259 S HA -0.148 4.322 4.470 -0.001 0.000 0.366 259 S C 0.680 175.332 174.600 0.087 0.000 0.993 259 S CA 0.662 58.904 58.200 0.069 0.000 1.167 259 S CB -1.466 61.763 63.200 0.049 0.000 0.909 259 S HN 0.473 nan 8.310 nan 0.000 0.478 260 L N -0.271 120.923 121.223 -0.048 0.000 3.289 260 L HA 0.237 4.576 4.340 -0.001 0.000 0.291 260 L C 1.450 178.030 176.870 -0.483 0.000 1.279 260 L CA -0.123 54.499 54.840 -0.364 0.000 1.025 260 L CB 0.582 42.426 42.059 -0.358 0.000 1.413 260 L HN 0.243 nan 8.230 nan 0.000 0.593 261 S N 0.699 116.293 115.700 -0.175 0.000 2.419 261 S HA -0.150 4.320 4.470 -0.001 0.000 0.235 261 S C 1.700 176.224 174.600 -0.126 0.000 1.019 261 S CA 1.366 59.492 58.200 -0.124 0.000 0.982 261 S CB -0.169 63.031 63.200 0.001 0.000 0.789 261 S HN 0.748 nan 8.310 nan 0.000 0.490 262 W N 2.305 123.585 121.300 -0.033 0.000 2.468 262 W HA -0.077 4.583 4.660 -0.001 0.000 0.262 262 W C 1.665 178.151 176.519 -0.054 0.000 1.241 262 W CA 1.342 58.666 57.345 -0.035 0.000 1.232 262 W CB -1.690 27.763 29.460 -0.012 0.000 1.124 262 W HN 0.392 nan 8.180 nan 0.000 0.597 263 T N -0.002 114.146 114.554 -0.677 0.000 2.995 263 T HA 0.035 4.385 4.350 -0.001 0.000 0.269 263 T C 1.151 175.660 174.700 -0.317 0.000 1.091 263 T CA 0.267 62.013 62.100 -0.590 0.000 1.128 263 T CB -0.715 67.680 68.868 -0.788 0.000 0.891 263 T HN 0.058 nan 8.240 nan 0.000 0.492 264 L N 2.429 123.460 121.223 -0.320 0.000 2.462 264 L HA 0.399 4.738 4.340 -0.001 0.000 0.272 264 L C 1.306 178.049 176.870 -0.211 0.000 1.166 264 L CA -0.609 54.009 54.840 -0.370 0.000 0.880 264 L CB -0.096 41.669 42.059 -0.491 0.000 1.142 264 L HN 0.276 nan 8.230 nan 0.000 0.473 265 G N 2.163 110.853 108.800 -0.183 0.000 2.353 265 G HA2 -0.026 3.934 3.960 -0.001 0.000 0.239 265 G HA3 -0.026 3.934 3.960 -0.001 0.000 0.239 265 G C 0.811 175.683 174.900 -0.046 0.000 1.295 265 G CA -0.336 44.717 45.100 -0.080 0.000 0.884 265 G HN 0.888 nan 8.290 nan 0.000 0.537 266 K N 1.447 121.840 120.400 -0.011 0.000 2.020 266 K HA -0.199 4.121 4.320 -0.001 0.000 0.212 266 K C 2.442 179.054 176.600 0.020 0.000 1.050 266 K CA 1.481 57.773 56.287 0.008 0.000 0.929 266 K CB -0.132 32.378 32.500 0.016 0.000 0.714 266 K HN 0.521 nan 8.250 nan 0.000 0.443 267 R N 1.023 121.536 120.500 0.022 0.000 2.073 267 R HA -0.122 4.217 4.340 -0.001 0.000 0.234 267 R C 2.179 178.515 176.300 0.060 0.000 1.134 267 R CA 1.714 57.835 56.100 0.035 0.000 0.952 267 R CB -0.196 30.121 30.300 0.028 0.000 0.850 267 R HN 0.285 nan 8.270 nan 0.000 0.433 268 R N -0.165 120.377 120.500 0.070 0.000 2.115 268 R HA -0.071 4.269 4.340 -0.001 0.000 0.230 268 R C 2.543 178.995 176.300 0.253 0.000 1.111 268 R CA 1.271 57.464 56.100 0.155 0.000 0.976 268 R CB -0.367 30.029 30.300 0.159 0.000 0.870 268 R HN 0.244 nan 8.270 nan 0.000 0.445 269 R N 1.116 121.685 120.500 0.115 0.000 2.066 269 R HA -0.091 4.249 4.340 -0.001 0.000 0.232 269 R C 2.162 178.568 176.300 0.176 0.000 1.131 269 R CA 1.581 57.765 56.100 0.140 0.000 0.955 269 R CB -0.251 30.044 30.300 -0.007 0.000 0.851 269 R HN 0.211 nan 8.270 nan 0.000 0.432 270 A N 0.359 123.242 122.820 0.104 0.000 1.972 270 A HA -0.018 4.302 4.320 -0.001 0.000 0.219 270 A C 2.128 179.761 177.584 0.080 0.000 1.169 270 A CA 1.537 53.621 52.037 0.080 0.000 0.635 270 A CB -0.459 18.573 19.000 0.053 0.000 0.810 270 A HN 0.535 nan 8.150 nan 0.000 0.446 271 A N -1.670 121.206 122.820 0.094 0.000 2.218 271 A HA 0.444 4.764 4.320 -0.001 0.000 0.209 271 A C 1.084 178.702 177.584 0.058 0.000 1.168 271 A CA 0.548 52.625 52.037 0.067 0.000 0.804 271 A CB -0.705 18.331 19.000 0.061 0.000 0.834 271 A HN 0.580 nan 8.150 nan 0.000 0.482 272 M N -0.402 119.265 119.600 0.113 0.000 2.393 272 M HA -0.204 4.276 4.480 -0.001 0.000 0.201 272 M C -0.480 175.712 176.300 -0.181 0.000 0.403 272 M CA 1.025 56.323 55.300 -0.004 0.000 0.471 272 M CB -1.819 30.750 32.600 -0.052 0.000 1.669 272 M HN 0.498 nan 8.290 nan 0.000 0.864 273 D N 1.383 121.784 120.400 0.002 0.000 2.460 273 D HA 0.611 5.250 4.640 -0.001 0.000 0.268 273 D C -0.781 175.593 176.300 0.123 0.000 1.153 273 D CA -0.177 53.810 54.000 -0.021 0.000 0.929 273 D CB 0.373 41.197 40.800 0.039 0.000 1.015 273 D HN 0.274 nan 8.370 nan 0.000 0.502 274 F N 0.008 119.959 119.950 0.002 0.000 2.744 274 F HA 0.567 5.093 4.527 -0.001 0.000 0.311 274 F C -2.915 172.888 175.800 0.004 0.000 1.144 274 F CA -2.201 55.800 58.000 0.001 0.000 0.938 274 F CB 0.258 39.255 39.000 -0.004 0.000 1.292 274 F HN -0.169 nan 8.300 nan 0.000 0.444 275 P HA 0.253 nan 4.420 nan 0.000 0.262 275 P C 0.667 178.056 177.300 0.149 0.000 1.199 275 P CA 1.433 64.601 63.100 0.114 0.000 0.763 275 P CB 0.803 32.577 31.700 0.123 0.000 0.790 276 G N 3.153 111.965 108.800 0.020 0.000 2.176 276 G HA2 -0.297 3.663 3.960 -0.001 0.000 0.253 276 G HA3 -0.297 3.663 3.960 -0.001 0.000 0.253 276 G C 1.079 175.956 174.900 -0.038 0.000 0.979 276 G CA 0.431 45.553 45.100 0.036 0.000 0.641 276 G HN 0.691 nan 8.290 nan 0.000 0.530 277 A N 1.095 123.701 122.820 -0.357 0.000 1.948 277 A HA -0.074 4.246 4.320 -0.001 0.000 0.220 277 A C 2.233 179.671 177.584 -0.244 0.000 1.177 277 A CA 2.588 54.231 52.037 -0.657 0.000 0.636 277 A CB -0.513 17.807 19.000 -1.134 0.000 0.815 277 A HN 1.218 nan 8.150 nan 0.000 0.449 278 K N -0.783 119.520 120.400 -0.162 0.000 2.209 278 K HA -0.053 4.267 4.320 -0.001 0.000 0.204 278 K C 1.407 177.988 176.600 -0.032 0.000 1.048 278 K CA 1.738 57.975 56.287 -0.083 0.000 0.940 278 K CB -0.381 32.081 32.500 -0.064 0.000 0.729 278 K HN 0.245 nan 8.250 nan 0.000 0.451 279 V N 1.210 121.119 119.914 -0.008 0.000 2.685 279 V HA -0.030 4.089 4.120 -0.001 0.000 0.244 279 V C 2.213 178.341 176.094 0.056 0.000 1.054 279 V CA 0.653 62.968 62.300 0.025 0.000 1.076 279 V CB -0.159 31.684 31.823 0.035 0.000 0.725 279 V HN 0.240 nan 8.190 nan 0.000 0.467 280 I N -0.059 120.568 120.570 0.095 0.000 2.252 280 I HA -0.164 4.006 4.170 -0.001 0.000 0.245 280 I C 2.384 178.594 176.117 0.156 0.000 1.102 280 I CA 1.085 62.483 61.300 0.163 0.000 1.385 280 I CB -0.336 37.866 38.000 0.336 0.000 1.064 280 I HN 0.131 nan 8.210 nan 0.000 0.414 281 V N 1.531 121.525 119.914 0.134 0.000 2.287 281 V HA -0.177 3.943 4.120 -0.001 0.000 0.248 281 V C -0.272 175.864 176.094 0.071 0.000 1.053 281 V CA 2.179 64.547 62.300 0.112 0.000 1.027 281 V CB -1.935 29.920 31.823 0.054 0.000 0.646 281 V HN 0.314 nan 8.190 nan 0.000 0.447 282 P HA -0.166 nan 4.420 nan 0.000 0.218 282 P C 1.760 179.088 177.300 0.046 0.000 1.148 282 P CA 1.366 64.489 63.100 0.038 0.000 0.822 282 P CB -0.056 31.660 31.700 0.027 0.000 0.784 283 Q N -0.885 118.949 119.800 0.057 0.000 2.123 283 Q HA -0.065 4.274 4.340 -0.001 0.000 0.199 283 Q C 2.181 178.216 176.000 0.060 0.000 0.966 283 Q CA 1.007 56.845 55.803 0.058 0.000 0.845 283 Q CB -0.664 28.114 28.738 0.066 0.000 0.907 283 Q HN 0.290 nan 8.270 nan 0.000 0.439 284 L N 0.785 122.050 121.223 0.069 0.000 2.127 284 L HA -0.199 4.140 4.340 -0.001 0.000 0.211 284 L C 2.002 178.904 176.870 0.053 0.000 1.089 284 L CA 0.883 55.761 54.840 0.064 0.000 0.757 284 L CB -0.265 41.842 42.059 0.079 0.000 0.899 284 L HN 0.104 nan 8.230 nan 0.000 0.434 285 K N -0.355 120.075 120.400 0.049 0.000 2.432 285 K HA 0.075 4.394 4.320 -0.001 0.000 0.196 285 K C 1.417 178.038 176.600 0.034 0.000 1.038 285 K CA 0.969 57.280 56.287 0.039 0.000 0.986 285 K CB 0.251 32.772 32.500 0.035 0.000 0.782 285 K HN 0.454 nan 8.250 nan 0.000 0.485 286 G N 0.956 109.778 108.800 0.037 0.000 2.480 286 G HA2 -0.212 3.748 3.960 -0.001 0.000 0.193 286 G HA3 -0.212 3.748 3.960 -0.001 0.000 0.193 286 G C 0.229 175.150 174.900 0.035 0.000 1.004 286 G CA -0.298 44.822 45.100 0.034 0.000 0.696 286 G HN 0.258 nan 8.290 nan 0.000 0.478 287 R N 0.955 121.476 120.500 0.035 0.000 2.893 287 R HA 0.546 4.886 4.340 -0.001 0.000 0.243 287 R C -0.831 175.494 176.300 0.041 0.000 1.481 287 R CA 0.178 56.298 56.100 0.034 0.000 1.250 287 R CB 0.112 30.430 30.300 0.029 0.000 1.213 287 R HN 0.309 nan 8.270 nan 0.000 0.609 288 V N 3.351 123.293 119.914 0.046 0.000 2.808 288 V HA 0.161 4.281 4.120 -0.001 0.000 0.308 288 V C -0.196 175.934 176.094 0.061 0.000 1.099 288 V CA -0.657 61.676 62.300 0.056 0.000 0.920 288 V CB 2.406 34.269 31.823 0.066 0.000 1.014 288 V HN 0.647 nan 8.190 nan 0.000 0.425 289 Q N 4.204 124.042 119.800 0.062 0.000 2.354 289 Q HA 0.185 4.524 4.340 -0.001 0.000 0.203 289 Q C 0.538 176.595 176.000 0.095 0.000 0.933 289 Q CA 0.724 56.568 55.803 0.068 0.000 0.901 289 Q CB 0.195 28.963 28.738 0.050 0.000 1.007 289 Q HN 0.822 nan 8.270 nan 0.000 0.495 290 R N -1.005 119.566 120.500 0.119 0.000 2.781 290 R HA 0.773 5.113 4.340 -0.001 0.000 0.269 290 R C -1.106 175.329 176.300 0.226 0.000 1.025 290 R CA -1.022 55.188 56.100 0.182 0.000 0.914 290 R CB 1.673 32.099 30.300 0.211 0.000 1.236 290 R HN -0.160 nan 8.270 nan 0.000 0.465 291 R N 0.653 121.296 120.500 0.240 0.000 2.584 291 R HA 0.322 4.661 4.340 -0.001 0.000 0.276 291 R C -1.442 174.815 176.300 -0.072 0.000 1.046 291 R CA -0.835 55.347 56.100 0.137 0.000 0.906 291 R CB 1.952 32.298 30.300 0.077 0.000 1.215 291 R HN 0.743 nan 8.270 nan 0.000 0.449 292 R N 3.541 123.858 120.500 -0.305 0.000 2.347 292 R HA 0.426 4.765 4.340 -0.001 0.000 0.304 292 R C -0.562 175.581 176.300 -0.261 0.000 1.072 292 R CA -0.224 55.484 56.100 -0.653 0.000 0.980 292 R CB 0.502 30.443 30.300 -0.598 0.000 0.986 292 R HN 0.493 nan 8.270 nan 0.000 0.448 293 V N 0.954 120.743 119.914 -0.209 0.000 3.141 293 V HA 0.840 4.960 4.120 -0.001 0.000 0.312 293 V C -0.028 176.039 176.094 -0.045 0.000 1.157 293 V CA -0.789 61.455 62.300 -0.093 0.000 1.041 293 V CB 1.777 33.578 31.823 -0.036 0.000 1.071 293 V HN 0.801 nan 8.190 nan 0.000 0.441 294 G N 0.889 109.672 108.800 -0.029 0.000 2.389 294 G HA2 0.700 4.659 3.960 -0.001 0.000 0.317 294 G HA3 0.700 4.659 3.960 -0.001 0.000 0.317 294 G C -1.142 173.885 174.900 0.213 0.000 1.137 294 G CA -0.767 44.402 45.100 0.115 0.000 0.870 294 G HN 0.838 nan 8.290 nan 0.000 0.496 295 L N 0.866 122.283 121.223 0.323 0.000 2.388 295 L HA 0.649 4.989 4.340 -0.001 0.000 0.264 295 L C -0.138 176.819 176.870 0.146 0.000 0.998 295 L CA -0.697 54.252 54.840 0.181 0.000 0.817 295 L CB 2.506 44.615 42.059 0.085 0.000 1.338 295 L HN 0.331 nan 8.230 nan 0.000 0.414 296 M N 2.622 122.277 119.600 0.092 0.000 2.501 296 M HA 0.696 5.176 4.480 -0.001 0.000 0.293 296 M C -0.976 175.328 176.300 0.006 0.000 1.192 296 M CA -0.553 54.759 55.300 0.019 0.000 0.886 296 M CB 2.545 35.182 32.600 0.061 0.000 1.710 296 M HN 0.863 nan 8.290 nan 0.000 0.457 297 C N -0.676 118.610 119.300 -0.022 0.000 3.295 297 C HA 0.692 5.152 4.460 -0.001 0.000 0.341 297 C C -0.725 174.252 174.990 -0.022 0.000 1.418 297 C CA -0.761 58.249 59.018 -0.013 0.000 1.240 297 C CB 1.704 29.438 27.740 -0.010 0.000 1.562 297 C HN 0.998 nan 8.230 nan 0.000 0.457 298 E N 0.608 120.799 120.200 -0.014 0.000 2.803 298 E HA 0.623 4.972 4.350 -0.001 0.000 0.250 298 E C 0.956 177.547 176.600 -0.015 0.000 1.102 298 E CA 0.234 56.625 56.400 -0.015 0.000 1.017 298 E CB 0.704 30.398 29.700 -0.009 0.000 1.346 298 E HN 1.683 nan 8.360 nan 0.000 0.532 299 G N 0.417 109.210 108.800 -0.012 0.000 2.582 299 G HA2 -0.271 3.689 3.960 -0.001 0.000 0.288 299 G HA3 -0.271 3.689 3.960 -0.001 0.000 0.288 299 G C 0.019 174.912 174.900 -0.012 0.000 1.247 299 G CA -0.197 44.897 45.100 -0.010 0.000 0.972 299 G HN 0.777 nan 8.290 nan 0.000 0.557 300 A N 2.327 125.142 122.820 -0.008 0.000 2.386 300 A HA 0.661 4.980 4.320 -0.001 0.000 0.248 300 A C -1.218 176.358 177.584 -0.013 0.000 1.082 300 A CA -0.004 52.029 52.037 -0.008 0.000 0.789 300 A CB 0.201 19.200 19.000 -0.002 0.000 1.025 300 A HN 0.816 nan 8.150 nan 0.000 0.490 301 P HA 0.162 nan 4.420 nan 0.000 0.275 301 P C -0.560 176.730 177.300 -0.017 0.000 1.227 301 P CA 0.136 63.221 63.100 -0.024 0.000 0.781 301 P CB 0.533 32.218 31.700 -0.024 0.000 0.906 302 M N 3.242 122.827 119.600 -0.025 0.000 2.233 302 M HA 0.235 4.715 4.480 -0.001 0.000 0.350 302 M C 0.949 177.240 176.300 -0.015 0.000 1.176 302 M CA 0.419 55.709 55.300 -0.015 0.000 1.150 302 M CB 0.274 32.863 32.600 -0.018 0.000 1.530 302 M HN 0.160 nan 8.290 nan 0.000 0.459 303 R N 1.273 121.771 120.500 -0.003 0.000 2.854 303 R HA 0.694 5.034 4.340 -0.001 0.000 0.271 303 R C -0.742 175.547 176.300 -0.019 0.000 0.996 303 R CA -0.987 55.111 56.100 -0.004 0.000 0.961 303 R CB 1.426 31.736 30.300 0.018 0.000 1.182 303 R HN 0.843 nan 8.270 nan 0.000 0.479 304 A N 1.326 124.106 122.820 -0.067 0.000 2.561 304 A HA 0.123 4.443 4.320 -0.001 0.000 0.234 304 A C 0.035 177.503 177.584 -0.194 0.000 1.055 304 A CA 0.579 52.483 52.037 -0.221 0.000 0.756 304 A CB -0.310 18.468 19.000 -0.371 0.000 0.986 304 A HN 0.931 nan 8.150 nan 0.000 0.505 305 H N -0.555 118.537 119.070 0.036 0.000 3.636 305 H HA -0.132 4.423 4.556 -0.001 0.000 0.179 305 H C 0.294 175.635 175.328 0.022 0.000 0.968 305 H CA 0.781 56.845 56.048 0.027 0.000 1.220 305 H CB -2.059 27.715 29.762 0.021 0.000 1.023 305 H HN 0.593 nan 8.280 nan 0.000 0.366 306 S N 2.920 118.675 115.700 0.091 0.000 2.528 306 S HA 0.305 4.775 4.470 -0.001 0.000 0.277 306 S C -2.032 172.595 174.600 0.046 0.000 1.297 306 S CA -0.818 57.419 58.200 0.061 0.000 1.052 306 S CB 1.697 64.918 63.200 0.036 0.000 0.917 306 S HN 0.049 nan 8.310 nan 0.000 0.492 307 P HA 0.226 nan 4.420 nan 0.000 0.268 307 P C -0.801 176.503 177.300 0.007 0.000 1.205 307 P CA 0.018 63.131 63.100 0.021 0.000 0.771 307 P CB 0.361 32.069 31.700 0.013 0.000 0.858 308 I N 3.399 123.966 120.570 -0.004 0.000 2.406 308 I HA 0.362 4.531 4.170 -0.001 0.000 0.290 308 I C -0.387 175.693 176.117 -0.060 0.000 0.999 308 I CA -0.697 60.588 61.300 -0.025 0.000 1.124 308 I CB 1.205 39.192 38.000 -0.022 0.000 1.289 308 I HN 0.085 nan 8.210 nan 0.000 0.441 309 L N 5.397 126.577 121.223 -0.071 0.000 2.333 309 L HA 0.510 4.849 4.340 -0.001 0.000 0.263 309 L C -0.088 176.701 176.870 -0.134 0.000 1.014 309 L CA -0.679 54.102 54.840 -0.098 0.000 0.820 309 L CB 1.347 43.374 42.059 -0.054 0.000 1.352 309 L HN 0.609 nan 8.230 nan 0.000 0.421 310 N N 0.393 118.989 118.700 -0.175 0.000 2.366 310 N HA 0.220 4.959 4.740 -0.001 0.000 0.277 310 N C 0.402 175.895 175.510 -0.028 0.000 1.275 310 N CA -0.506 52.457 53.050 -0.145 0.000 0.964 310 N CB 0.256 38.648 38.487 -0.159 0.000 1.167 310 N HN 0.486 nan 8.380 nan 0.000 0.568 311 M N -0.776 118.842 119.600 0.030 0.000 2.630 311 M HA 0.038 4.518 4.480 -0.001 0.000 0.254 311 M C 0.069 176.387 176.300 0.030 0.000 1.092 311 M CA 0.912 56.231 55.300 0.033 0.000 1.087 311 M CB -0.861 31.769 32.600 0.051 0.000 1.453 311 M HN 0.558 nan 8.290 nan 0.000 0.509 312 E N 0.039 120.259 120.200 0.033 0.000 2.419 312 E HA 0.312 4.662 4.350 -0.001 0.000 0.190 312 E C 1.288 177.898 176.600 0.015 0.000 1.040 312 E CA 0.279 56.697 56.400 0.030 0.000 0.900 312 E CB -0.127 29.601 29.700 0.046 0.000 1.054 312 E HN 0.568 nan 8.360 nan 0.000 0.462 313 G N 1.473 110.276 108.800 0.004 0.000 2.148 313 G HA2 -0.267 3.693 3.960 -0.001 0.000 0.254 313 G HA3 -0.267 3.693 3.960 -0.001 0.000 0.254 313 G C 0.338 175.233 174.900 -0.009 0.000 0.981 313 G CA 0.723 45.821 45.100 -0.003 0.000 0.670 313 G HN 0.262 nan 8.290 nan 0.000 0.528 314 T N 0.690 115.234 114.554 -0.017 0.000 2.799 314 T HA 0.467 4.817 4.350 -0.001 0.000 0.286 314 T C 0.364 175.032 174.700 -0.053 0.000 0.973 314 T CA -0.273 61.813 62.100 -0.023 0.000 1.035 314 T CB 1.731 70.595 68.868 -0.008 0.000 0.932 314 T HN 0.421 nan 8.240 nan 0.000 0.469 315 K N 3.566 123.943 120.400 -0.039 0.000 2.339 315 K HA 0.247 4.567 4.320 -0.001 0.000 0.286 315 K C 0.919 177.482 176.600 -0.061 0.000 1.050 315 K CA -0.205 56.054 56.287 -0.046 0.000 0.956 315 K CB 0.156 32.643 32.500 -0.022 0.000 0.990 315 K HN 0.721 nan 8.250 nan 0.000 0.475 316 I N 0.293 120.804 120.570 -0.099 0.000 4.288 316 I HA 0.409 4.578 4.170 -0.001 0.000 0.331 316 I C 0.550 176.641 176.117 -0.044 0.000 1.322 316 I CA -0.455 60.779 61.300 -0.110 0.000 1.149 316 I CB 0.967 38.786 38.000 -0.302 0.000 1.112 316 I HN 0.649 nan 8.210 nan 0.000 0.403 317 G N 0.589 109.376 108.800 -0.023 0.000 2.494 317 G HA2 0.566 4.526 3.960 -0.001 0.000 0.308 317 G HA3 0.566 4.526 3.960 -0.001 0.000 0.308 317 G C -1.441 173.484 174.900 0.043 0.000 1.263 317 G CA -0.232 44.888 45.100 0.033 0.000 0.840 317 G HN 0.008 nan 8.290 nan 0.000 0.479 318 T N -0.437 114.168 114.554 0.084 0.000 2.923 318 T HA 0.543 4.893 4.350 -0.001 0.000 0.311 318 T C -0.616 174.139 174.700 0.092 0.000 1.183 318 T CA -0.409 61.739 62.100 0.080 0.000 1.020 318 T CB 2.000 70.921 68.868 0.088 0.000 1.165 318 T HN 0.589 nan 8.240 nan 0.000 0.482 319 V N 2.967 122.913 119.914 0.053 0.000 2.614 319 V HA 0.284 4.404 4.120 -0.001 0.000 0.291 319 V C 1.661 177.757 176.094 0.003 0.000 1.049 319 V CA 0.303 62.620 62.300 0.029 0.000 1.038 319 V CB 1.198 33.025 31.823 0.007 0.000 0.980 319 V HN 1.214 nan 8.190 nan 0.000 0.481 320 T N -0.348 114.215 114.554 0.014 0.000 3.000 320 T HA 0.227 4.576 4.350 -0.001 0.000 0.248 320 T C 0.575 175.244 174.700 -0.053 0.000 1.034 320 T CA 0.065 62.156 62.100 -0.015 0.000 1.060 320 T CB 0.380 69.308 68.868 0.100 0.000 0.983 320 T HN 0.503 nan 8.240 nan 0.000 0.482 321 S N -0.718 114.971 115.700 -0.018 0.000 2.537 321 S HA 0.742 5.212 4.470 -0.001 0.000 0.270 321 S C -0.691 173.902 174.600 -0.012 0.000 1.142 321 S CA -0.544 57.651 58.200 -0.009 0.000 0.870 321 S CB 2.020 65.239 63.200 0.032 0.000 1.112 321 S HN 0.886 nan 8.310 nan 0.000 0.466 322 G N 0.328 109.115 108.800 -0.022 0.000 2.691 322 G HA2 0.609 4.569 3.960 -0.001 0.000 0.298 322 G HA3 0.609 4.569 3.960 -0.001 0.000 0.298 322 G C -0.953 173.921 174.900 -0.043 0.000 1.471 322 G CA -0.015 45.061 45.100 -0.041 0.000 0.912 322 G HN 1.613 nan 8.290 nan 0.000 0.553 323 C N -0.365 118.894 119.300 -0.069 0.000 3.275 323 C HA 0.851 5.310 4.460 -0.001 0.000 0.340 323 C C -3.127 171.811 174.990 -0.086 0.000 1.366 323 C CA -1.518 57.465 59.018 -0.058 0.000 1.227 323 C CB 1.070 28.783 27.740 -0.045 0.000 1.512 323 C HN 0.649 nan 8.230 nan 0.000 0.461 324 P HA 0.279 nan 4.420 nan 0.000 0.271 324 P C -0.521 176.702 177.300 -0.128 0.000 1.218 324 P CA 0.426 63.477 63.100 -0.082 0.000 0.780 324 P CB 0.747 32.423 31.700 -0.041 0.000 0.901 325 S N 3.396 119.000 115.700 -0.159 0.000 2.423 325 S HA 0.352 4.822 4.470 -0.001 0.000 0.317 325 S C -1.779 172.698 174.600 -0.205 0.000 1.065 325 S CA -1.764 56.317 58.200 -0.198 0.000 1.111 325 S CB 0.126 63.216 63.200 -0.184 0.000 0.968 325 S HN 0.179 nan 8.310 nan 0.000 0.474 326 P HA -0.020 nan 4.420 nan 0.000 0.217 326 P C 1.291 178.515 177.300 -0.127 0.000 1.150 326 P CA 0.817 63.758 63.100 -0.266 0.000 0.832 326 P CB 0.153 31.595 31.700 -0.430 0.000 0.787 327 S N -0.950 114.703 115.700 -0.077 0.000 2.423 327 S HA 0.006 4.476 4.470 -0.001 0.000 0.231 327 S C 1.553 176.157 174.600 0.006 0.000 1.014 327 S CA 0.997 59.221 58.200 0.039 0.000 0.965 327 S CB -0.626 62.659 63.200 0.140 0.000 0.785 327 S HN 0.139 nan 8.310 nan 0.000 0.495 328 L N -0.062 121.148 121.223 -0.022 0.000 2.701 328 L HA 0.316 4.656 4.340 -0.001 0.000 0.238 328 L C 0.182 177.032 176.870 -0.033 0.000 1.106 328 L CA -0.026 54.803 54.840 -0.019 0.000 0.898 328 L CB -0.040 42.011 42.059 -0.014 0.000 1.188 328 L HN 0.061 nan 8.230 nan 0.000 0.508 329 K N 0.976 121.345 120.400 -0.051 0.000 3.125 329 K HA -0.147 4.172 4.320 -0.001 0.000 0.268 329 K C -0.596 175.975 176.600 -0.048 0.000 1.078 329 K CA 0.628 56.886 56.287 -0.048 0.000 0.775 329 K CB -0.937 31.544 32.500 -0.032 0.000 1.253 329 K HN 0.142 nan 8.250 nan 0.000 0.486 330 K N 0.182 120.542 120.400 -0.067 0.000 2.522 330 K HA 0.363 4.683 4.320 -0.001 0.000 0.275 330 K C -0.560 175.978 176.600 -0.104 0.000 1.006 330 K CA -0.947 55.299 56.287 -0.069 0.000 0.890 330 K CB 1.102 33.567 32.500 -0.058 0.000 1.475 330 K HN -0.030 nan 8.250 nan 0.000 0.441 331 N N 1.133 119.773 118.700 -0.101 0.000 2.438 331 N HA 0.346 5.085 4.740 -0.001 0.000 0.282 331 N C -0.324 175.067 175.510 -0.199 0.000 1.037 331 N CA -0.356 52.619 53.050 -0.126 0.000 0.942 331 N CB 1.622 40.061 38.487 -0.080 0.000 1.136 331 N HN 0.358 nan 8.380 nan 0.000 0.481 332 V N -1.405 118.328 119.914 -0.301 0.000 2.960 332 V HA 1.049 5.169 4.120 -0.001 0.000 0.315 332 V C -0.241 175.654 176.094 -0.333 0.000 1.087 332 V CA -0.899 61.076 62.300 -0.542 0.000 0.982 332 V CB 1.384 32.529 31.823 -1.130 0.000 1.039 332 V HN 0.800 nan 8.190 nan 0.000 0.437 333 A N 3.516 126.202 122.820 -0.224 0.000 2.601 333 A HA 0.875 5.195 4.320 -0.001 0.000 0.291 333 A C -1.154 176.504 177.584 0.123 0.000 1.075 333 A CA -0.813 51.205 52.037 -0.032 0.000 0.671 333 A CB 1.865 20.850 19.000 -0.025 0.000 1.277 333 A HN 0.946 nan 8.150 nan 0.000 0.417 334 M N 0.358 120.007 119.600 0.083 0.000 2.465 334 M HA 0.669 5.149 4.480 -0.001 0.000 0.316 334 M C 0.236 176.538 176.300 0.002 0.000 1.121 334 M CA -0.110 55.228 55.300 0.063 0.000 0.934 334 M CB 2.563 35.195 32.600 0.053 0.000 1.692 334 M HN 1.232 nan 8.290 nan 0.000 0.444 335 G N 0.968 109.728 108.800 -0.065 0.000 2.608 335 G HA2 0.605 4.565 3.960 -0.001 0.000 0.291 335 G HA3 0.605 4.565 3.960 -0.001 0.000 0.291 335 G C -2.483 172.311 174.900 -0.176 0.000 1.425 335 G CA -0.480 44.596 45.100 -0.040 0.000 0.787 335 G HN 0.526 nan 8.290 nan 0.000 0.484 336 Y N -0.284 120.033 120.300 0.028 0.000 2.360 336 Y HA 0.627 5.177 4.550 -0.001 0.000 0.337 336 Y C 0.600 176.515 175.900 0.025 0.000 1.039 336 Y CA -0.480 57.639 58.100 0.032 0.000 1.109 336 Y CB 2.247 40.725 38.460 0.029 0.000 1.201 336 Y HN 0.574 nan 8.280 nan 0.000 0.458 337 V N 0.846 120.854 119.914 0.157 0.000 3.114 337 V HA 0.728 4.847 4.120 -0.001 0.000 0.308 337 V C -3.127 173.065 176.094 0.164 0.000 1.168 337 V CA -3.298 59.072 62.300 0.115 0.000 1.015 337 V CB 2.126 33.995 31.823 0.076 0.000 1.050 337 V HN 0.422 nan 8.190 nan 0.000 0.433 338 P HA 0.270 nan 4.420 nan 0.000 0.269 338 P C 0.748 178.175 177.300 0.211 0.000 1.215 338 P CA -0.010 63.223 63.100 0.222 0.000 0.780 338 P CB 0.567 32.450 31.700 0.304 0.000 0.898 339 C N 1.343 120.723 119.300 0.134 0.000 2.403 339 C HA -0.140 4.319 4.460 -0.001 0.000 0.277 339 C C 2.293 177.312 174.990 0.047 0.000 1.248 339 C CA 1.207 60.277 59.018 0.086 0.000 1.762 339 C CB -1.449 26.326 27.740 0.059 0.000 2.014 339 C HN 0.666 nan 8.230 nan 0.000 0.486 340 E N -0.065 120.134 120.200 -0.002 0.000 2.472 340 E HA -0.170 4.180 4.350 -0.001 0.000 0.200 340 E C 0.548 176.988 176.600 -0.267 0.000 1.046 340 E CA 1.334 57.639 56.400 -0.159 0.000 0.871 340 E CB -0.473 29.066 29.700 -0.269 0.000 0.806 340 E HN 0.813 nan 8.360 nan 0.000 0.533 341 Y N 0.993 121.306 120.300 0.022 0.000 2.531 341 Y HA 0.154 4.704 4.550 -0.001 0.000 0.249 341 Y C 2.051 177.961 175.900 0.017 0.000 1.168 341 Y CA 0.314 58.426 58.100 0.020 0.000 1.226 341 Y CB 0.842 39.317 38.460 0.025 0.000 1.177 341 Y HN 0.124 nan 8.280 nan 0.000 0.527 342 S N -0.351 115.425 115.700 0.127 0.000 2.593 342 S HA 0.051 4.520 4.470 -0.001 0.000 0.217 342 S C 0.846 175.471 174.600 0.042 0.000 0.966 342 S CA -0.438 57.809 58.200 0.078 0.000 0.914 342 S CB -0.090 63.146 63.200 0.060 0.000 0.776 342 S HN 0.298 nan 8.310 nan 0.000 0.523 343 R N 2.486 123.006 120.500 0.034 0.000 2.401 343 R HA 0.264 4.604 4.340 -0.001 0.000 0.299 343 R C -2.843 173.468 176.300 0.019 0.000 1.064 343 R CA -1.883 54.226 56.100 0.016 0.000 1.000 343 R CB 0.084 30.386 30.300 0.004 0.000 0.973 343 R HN 0.113 nan 8.270 nan 0.000 0.438 344 P HA -0.017 nan 4.420 nan 0.000 0.264 344 P C 0.181 177.489 177.300 0.014 0.000 1.183 344 P CA 1.123 64.226 63.100 0.005 0.000 0.763 344 P CB 0.777 32.470 31.700 -0.013 0.000 0.807 345 G N 1.416 110.231 108.800 0.024 0.000 2.213 345 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.226 345 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.226 345 G C 0.295 175.216 174.900 0.035 0.000 0.992 345 G CA -0.127 44.988 45.100 0.025 0.000 0.632 345 G HN 0.582 nan 8.290 nan 0.000 0.511 346 T N 3.847 118.428 114.554 0.046 0.000 2.888 346 T HA 0.525 4.875 4.350 -0.001 0.000 0.301 346 T C 0.677 175.419 174.700 0.070 0.000 1.001 346 T CA 0.306 62.447 62.100 0.067 0.000 1.147 346 T CB 0.797 69.725 68.868 0.100 0.000 0.931 346 T HN 0.164 nan 8.240 nan 0.000 0.541 347 M N 4.225 123.867 119.600 0.070 0.000 2.188 347 M HA 0.504 4.984 4.480 -0.001 0.000 0.357 347 M C -0.334 176.004 176.300 0.062 0.000 1.204 347 M CA -0.320 55.014 55.300 0.057 0.000 1.095 347 M CB 0.443 33.070 32.600 0.045 0.000 1.604 347 M HN 0.498 nan 8.290 nan 0.000 0.464 348 L N 2.655 123.902 121.223 0.039 0.000 2.322 348 L HA 0.670 5.009 4.340 -0.001 0.000 0.252 348 L C -1.069 175.803 176.870 0.004 0.000 1.055 348 L CA -0.970 53.879 54.840 0.014 0.000 0.849 348 L CB 2.382 44.440 42.059 -0.002 0.000 1.446 348 L HN 0.517 nan 8.230 nan 0.000 0.416 349 L N 1.355 122.570 121.223 -0.013 0.000 2.322 349 L HA 0.665 5.005 4.340 -0.001 0.000 0.281 349 L C -1.013 175.850 176.870 -0.012 0.000 1.014 349 L CA -0.766 54.069 54.840 -0.009 0.000 0.815 349 L CB 2.048 44.102 42.059 -0.010 0.000 1.247 349 L HN 0.181 nan 8.230 nan 0.000 0.421 350 V N 2.167 122.079 119.914 -0.004 0.000 2.540 350 V HA 0.255 4.375 4.120 -0.001 0.000 0.302 350 V C -0.206 175.889 176.094 0.002 0.000 1.035 350 V CA -0.820 61.480 62.300 -0.001 0.000 0.873 350 V CB 1.984 33.808 31.823 0.002 0.000 0.992 350 V HN 0.677 nan 8.190 nan 0.000 0.428 351 E N 2.896 123.099 120.200 0.005 0.000 2.265 351 E HA 0.353 4.703 4.350 -0.001 0.000 0.272 351 E C -1.034 175.573 176.600 0.011 0.000 1.067 351 E CA -0.063 56.342 56.400 0.008 0.000 0.900 351 E CB 1.313 31.020 29.700 0.011 0.000 1.017 351 E HN 0.446 nan 8.360 nan 0.000 0.431 352 V N 4.978 124.897 119.914 0.008 0.000 2.444 352 V HA 0.251 4.371 4.120 -0.001 0.000 0.294 352 V C 0.222 176.322 176.094 0.009 0.000 1.022 352 V CA -0.811 61.494 62.300 0.009 0.000 0.850 352 V CB 1.351 33.176 31.823 0.004 0.000 0.992 352 V HN 0.812 nan 8.190 nan 0.000 0.426 353 R N 4.304 124.812 120.500 0.013 0.000 3.333 353 R HA -0.189 4.151 4.340 -0.001 0.000 0.256 353 R C 0.737 177.043 176.300 0.010 0.000 1.010 353 R CA 0.279 56.387 56.100 0.012 0.000 0.680 353 R CB -0.962 29.344 30.300 0.010 0.000 1.102 353 R HN 0.726 nan 8.270 nan 0.000 0.440 354 R N -2.253 118.253 120.500 0.011 0.000 3.989 354 R HA -0.155 4.185 4.340 -0.001 0.000 0.377 354 R C -0.492 175.812 176.300 0.007 0.000 1.158 354 R CA 1.714 57.820 56.100 0.009 0.000 1.035 354 R CB -1.235 29.070 30.300 0.008 0.000 1.557 354 R HN 0.551 nan 8.270 nan 0.000 0.551 355 K N 0.750 121.153 120.400 0.006 0.000 2.422 355 K HA 0.345 4.665 4.320 -0.001 0.000 0.251 355 K C -0.102 176.501 176.600 0.004 0.000 0.933 355 K CA -0.712 55.578 56.287 0.005 0.000 0.798 355 K CB 2.014 34.516 32.500 0.004 0.000 1.238 355 K HN -0.002 nan 8.250 nan 0.000 0.428 356 Q N 1.921 121.723 119.800 0.003 0.000 2.352 356 Q HA 0.103 4.443 4.340 -0.001 0.000 0.260 356 Q C -0.574 175.427 176.000 0.002 0.000 0.976 356 Q CA 0.274 56.079 55.803 0.002 0.000 0.881 356 Q CB 0.979 29.718 28.738 0.001 0.000 1.235 356 Q HN 0.321 nan 8.270 nan 0.000 0.419 357 Q N 1.492 121.293 119.800 0.002 0.000 2.375 357 Q HA 0.391 4.731 4.340 -0.001 0.000 0.271 357 Q C -1.142 174.860 176.000 0.003 0.000 1.074 357 Q CA -0.967 54.837 55.803 0.002 0.000 0.808 357 Q CB 2.202 30.940 28.738 0.000 0.000 1.327 357 Q HN 0.485 nan 8.270 nan 0.000 0.441 358 M N 2.223 121.826 119.600 0.005 0.000 2.200 358 M HA 0.439 4.919 4.480 -0.001 0.000 0.355 358 M C -1.182 175.124 176.300 0.010 0.000 1.283 358 M CA 0.319 55.624 55.300 0.009 0.000 1.124 358 M CB 0.621 33.227 32.600 0.010 0.000 1.625 358 M HN 0.706 nan 8.290 nan 0.000 0.463 359 A N 4.188 127.017 122.820 0.015 0.000 2.479 359 A HA 0.871 5.190 4.320 -0.001 0.000 0.296 359 A C -1.620 175.982 177.584 0.031 0.000 1.121 359 A CA -0.799 51.250 52.037 0.020 0.000 0.743 359 A CB 1.772 20.783 19.000 0.018 0.000 1.323 359 A HN 0.791 nan 8.150 nan 0.000 0.415 360 V N 1.212 121.151 119.914 0.041 0.000 2.604 360 V HA 0.565 4.685 4.120 -0.001 0.000 0.305 360 V C -0.590 175.544 176.094 0.066 0.000 1.043 360 V CA -0.546 61.784 62.300 0.050 0.000 0.888 360 V CB 1.843 33.693 31.823 0.045 0.000 0.995 360 V HN 0.819 nan 8.190 nan 0.000 0.429 361 V N 5.889 125.840 119.914 0.062 0.000 2.572 361 V HA 0.408 4.527 4.120 -0.001 0.000 0.291 361 V C 0.488 176.613 176.094 0.052 0.000 1.039 361 V CA 0.585 62.922 62.300 0.061 0.000 1.055 361 V CB 1.277 33.133 31.823 0.054 0.000 0.969 361 V HN 0.965 nan 8.190 nan 0.000 0.482 362 S N 4.542 120.274 115.700 0.054 0.000 2.542 362 S HA 0.486 4.955 4.470 -0.001 0.000 0.293 362 S C -0.510 174.022 174.600 -0.113 0.000 1.089 362 S CA -0.916 57.292 58.200 0.014 0.000 0.961 362 S CB 1.393 64.663 63.200 0.118 0.000 1.062 362 S HN 0.780 nan 8.310 nan 0.000 0.483 363 K N 3.533 123.858 120.400 -0.125 0.000 2.401 363 K HA 0.280 4.600 4.320 -0.001 0.000 0.278 363 K C -0.360 176.037 176.600 -0.337 0.000 1.018 363 K CA 0.065 56.247 56.287 -0.176 0.000 0.981 363 K CB 0.380 32.811 32.500 -0.115 0.000 0.933 363 K HN 0.681 nan 8.250 nan 0.000 0.477 364 M N 4.784 124.159 119.600 -0.375 0.000 2.478 364 M HA 0.356 4.836 4.480 -0.001 0.000 0.327 364 M C -1.887 174.244 176.300 -0.281 0.000 1.187 364 M CA -2.126 52.868 55.300 -0.511 0.000 1.022 364 M CB 1.475 33.773 32.600 -0.504 0.000 1.629 364 M HN 0.600 nan 8.290 nan 0.000 0.461 365 P HA 0.116 nan 4.420 nan 0.000 0.272 365 P C -0.361 176.783 177.300 -0.260 0.000 1.223 365 P CA 0.017 62.969 63.100 -0.247 0.000 0.784 365 P CB 0.539 32.160 31.700 -0.132 0.000 0.923 366 F N 0.138 120.065 119.950 -0.038 0.000 2.259 366 F HA -0.023 4.504 4.527 -0.001 0.000 0.298 366 F C 1.315 177.092 175.800 -0.037 0.000 1.088 366 F CA 0.705 58.686 58.000 -0.031 0.000 1.358 366 F CB -0.184 38.805 39.000 -0.019 0.000 1.040 366 F HN -0.046 nan 8.300 nan 0.000 0.505 367 V N 1.412 121.410 119.914 0.140 0.000 2.409 367 V HA 0.304 4.424 4.120 -0.001 0.000 0.291 367 V C -2.202 173.866 176.094 -0.044 0.000 1.020 367 V CA -2.324 60.003 62.300 0.045 0.000 0.848 367 V CB 1.240 33.097 31.823 0.056 0.000 0.990 367 V HN -0.182 nan 8.190 nan 0.000 0.430 368 P HA 0.070 nan 4.420 nan 0.000 0.263 368 P C 0.303 177.476 177.300 -0.212 0.000 1.175 368 P CA 0.298 63.315 63.100 -0.139 0.000 0.761 368 P CB 0.206 31.837 31.700 -0.115 0.000 0.794 369 T N -0.405 113.949 114.554 -0.333 0.000 2.868 369 T HA 0.225 4.575 4.350 -0.001 0.000 0.292 369 T C 0.476 174.857 174.700 -0.532 0.000 1.028 369 T CA -0.608 61.143 62.100 -0.581 0.000 1.059 369 T CB 0.404 68.632 68.868 -1.067 0.000 0.991 369 T HN 0.256 nan 8.240 nan 0.000 0.531 370 N N 0.996 119.357 118.700 -0.565 0.000 2.599 370 N HA 0.164 4.904 4.740 -0.001 0.000 0.309 370 N C -0.921 174.454 175.510 -0.223 0.000 1.743 370 N CA -0.269 52.595 53.050 -0.310 0.000 0.918 370 N CB 0.266 38.650 38.487 -0.172 0.000 1.339 370 N HN 0.679 nan 8.380 nan 0.000 0.493 371 Y N 0.195 120.335 120.300 -0.266 0.000 2.457 371 Y HA -0.040 4.509 4.550 -0.001 0.000 0.341 371 Y C 0.465 176.291 175.900 -0.123 0.000 1.240 371 Y CA -0.625 57.246 58.100 -0.382 0.000 1.437 371 Y CB 0.524 38.415 38.460 -0.948 0.000 1.328 371 Y HN 0.188 nan 8.280 nan 0.000 0.588 372 Y N 3.650 123.980 120.300 0.051 0.000 2.454 372 Y HA 0.294 4.843 4.550 -0.001 0.000 0.345 372 Y C -0.176 175.789 175.900 0.108 0.000 0.970 372 Y CA -1.127 57.012 58.100 0.066 0.000 1.204 372 Y CB 0.102 38.608 38.460 0.077 0.000 1.122 372 Y HN 0.598 nan 8.280 nan 0.000 0.514 373 T N 4.720 119.089 114.554 -0.309 0.000 2.924 373 T HA 0.666 5.015 4.350 -0.001 0.000 0.291 373 T C -0.305 174.160 174.700 -0.392 0.000 1.045 373 T CA -0.979 60.945 62.100 -0.294 0.000 1.015 373 T CB 1.463 70.287 68.868 -0.074 0.000 1.103 373 T HN 0.568 nan 8.240 nan 0.000 0.496 374 L N 0.000 121.049 121.223 -0.289 0.000 2.949 374 L HA 0.000 4.340 4.340 -0.001 0.000 0.249 374 L CA 0.000 54.720 54.840 -0.200 0.000 0.813 374 L CB 0.000 41.975 42.059 -0.139 0.000 0.961 374 L HN 0.000 nan 8.230 nan 0.000 0.502