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 1efr_1_E DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA 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 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.853 174.700 0.256 0.000 1.109 9 T CA 0.000 62.218 62.100 0.197 0.000 1.349 9 T CB 0.000 69.009 68.868 0.235 0.000 0.612 10 T N 1.881 116.547 114.554 0.185 0.000 2.892 10 T HA 0.708 5.058 4.350 0.000 0.000 0.311 10 T C 0.572 175.172 174.700 -0.167 0.000 1.033 10 T CA -0.604 61.519 62.100 0.039 0.000 0.991 10 T CB 1.198 70.070 68.868 0.007 0.000 0.981 10 T HN 1.082 nan 8.240 nan 0.000 0.457 11 G N 2.261 110.740 108.800 -0.534 0.000 2.491 11 G HA2 0.700 4.660 3.960 0.000 0.000 0.327 11 G HA3 0.700 4.660 3.960 0.000 0.000 0.327 11 G C -0.503 174.094 174.900 -0.505 0.000 1.189 11 G CA -0.924 43.575 45.100 -1.002 0.000 0.956 11 G HN 0.562 nan 8.290 nan 0.000 0.491 12 R N -0.742 119.512 120.500 -0.409 0.000 2.758 12 R HA 0.452 4.792 4.340 0.000 0.000 0.265 12 R C -0.324 175.859 176.300 -0.195 0.000 1.016 12 R CA -0.842 55.122 56.100 -0.227 0.000 1.040 12 R CB 2.011 32.218 30.300 -0.154 0.000 1.152 12 R HN 0.322 nan 8.270 nan 0.000 0.503 13 I N 2.619 123.117 120.570 -0.120 0.000 2.371 13 I HA 0.015 4.185 4.170 0.000 0.000 0.290 13 I C 1.324 177.402 176.117 -0.065 0.000 1.028 13 I CA -0.056 61.195 61.300 -0.082 0.000 1.345 13 I CB 1.513 39.480 38.000 -0.055 0.000 1.407 13 I HN 0.559 nan 8.210 nan 0.000 0.501 14 V N 3.144 123.027 119.914 -0.053 0.000 3.431 14 V HA 0.544 4.664 4.120 0.000 0.000 0.253 14 V C 0.606 176.685 176.094 -0.025 0.000 1.184 14 V CA 0.245 62.522 62.300 -0.039 0.000 1.104 14 V CB 0.035 31.837 31.823 -0.034 0.000 0.799 14 V HN 0.747 nan 8.190 nan 0.000 0.462 15 A N -0.450 122.357 122.820 -0.021 0.000 2.582 15 A HA 0.742 5.062 4.320 0.000 0.000 0.297 15 A C -1.372 176.205 177.584 -0.010 0.000 1.059 15 A CA -0.314 51.715 52.037 -0.014 0.000 0.705 15 A CB 1.844 20.839 19.000 -0.009 0.000 1.279 15 A HN 0.466 nan 8.150 nan 0.000 0.404 16 V N 2.561 122.470 119.914 -0.009 0.000 2.482 16 V HA 0.520 4.640 4.120 0.000 0.000 0.295 16 V C -0.721 175.369 176.094 -0.006 0.000 1.026 16 V CA -0.054 62.242 62.300 -0.007 0.000 0.856 16 V CB 1.354 33.173 31.823 -0.008 0.000 1.001 16 V HN 0.711 nan 8.190 nan 0.000 0.424 17 I N 4.748 125.316 120.570 -0.004 0.000 2.623 17 I HA 0.585 4.755 4.170 0.000 0.000 0.275 17 I C 0.956 177.070 176.117 -0.004 0.000 1.108 17 I CA 0.103 61.400 61.300 -0.004 0.000 1.120 17 I CB 1.204 39.202 38.000 -0.004 0.000 1.249 17 I HN 0.871 nan 8.210 nan 0.000 0.500 18 G N 4.518 113.316 108.800 -0.005 0.000 2.531 18 G HA2 -0.311 3.649 3.960 0.000 0.000 0.274 18 G HA3 -0.311 3.649 3.960 0.000 0.000 0.274 18 G C 0.616 175.514 174.900 -0.003 0.000 1.159 18 G CA 0.256 45.353 45.100 -0.005 0.000 0.969 18 G HN 0.792 nan 8.290 nan 0.000 0.554 19 A N -0.628 122.190 122.820 -0.003 0.000 2.411 19 A HA 0.620 4.940 4.320 0.000 0.000 0.251 19 A C 0.383 177.969 177.584 0.003 0.000 1.317 19 A CA 1.117 53.153 52.037 -0.001 0.000 0.904 19 A CB -0.008 18.990 19.000 -0.002 0.000 0.993 19 A HN 1.505 nan 8.150 nan 0.000 0.504 20 V N 1.317 121.233 119.914 0.002 0.000 2.357 20 V HA 0.243 4.363 4.120 0.000 0.000 0.281 20 V C -0.536 175.563 176.094 0.007 0.000 1.015 20 V CA -0.501 61.803 62.300 0.006 0.000 0.827 20 V CB 1.451 33.277 31.823 0.004 0.000 1.018 20 V HN 0.169 nan 8.190 nan 0.000 0.432 21 V N 3.267 123.188 119.914 0.012 0.000 2.481 21 V HA 0.503 4.623 4.120 0.000 0.000 0.286 21 V C -0.324 175.780 176.094 0.017 0.000 1.042 21 V CA -0.654 61.653 62.300 0.011 0.000 0.928 21 V CB 1.845 33.674 31.823 0.010 0.000 0.986 21 V HN 0.697 nan 8.190 nan 0.000 0.462 22 D N 2.837 123.242 120.400 0.009 0.000 2.256 22 D HA 0.586 5.226 4.640 0.000 0.000 0.240 22 D C -0.671 175.629 176.300 0.000 0.000 1.062 22 D CA -0.013 53.994 54.000 0.013 0.000 0.832 22 D CB 1.996 42.800 40.800 0.006 0.000 1.135 22 D HN 0.315 nan 8.370 nan 0.000 0.484 23 V N 2.619 122.545 119.914 0.021 0.000 2.531 23 V HA 0.319 4.439 4.120 0.000 0.000 0.301 23 V C -0.094 175.984 176.094 -0.026 0.000 1.034 23 V CA -0.942 61.337 62.300 -0.034 0.000 0.865 23 V CB 1.800 33.616 31.823 -0.012 0.000 0.995 23 V HN 0.400 nan 8.190 nan 0.000 0.424 24 Q N 3.290 123.004 119.800 -0.143 0.000 2.257 24 Q HA 0.579 4.919 4.340 0.000 0.000 0.255 24 Q C -1.805 174.046 176.000 -0.249 0.000 0.920 24 Q CA -0.434 55.315 55.803 -0.089 0.000 0.927 24 Q CB 1.145 29.843 28.738 -0.067 0.000 1.229 24 Q HN 0.628 nan 8.270 nan 0.000 0.433 25 F N 2.497 122.418 119.950 -0.048 0.000 2.436 25 F HA 0.246 4.773 4.527 0.000 0.000 0.340 25 F C 0.862 176.643 175.800 -0.032 0.000 1.113 25 F CA -0.558 57.419 58.000 -0.039 0.000 1.022 25 F CB 1.629 40.600 39.000 -0.048 0.000 1.128 25 F HN 0.647 nan 8.300 nan 0.000 0.466 26 D N 1.696 122.162 120.400 0.111 0.000 2.144 26 D HA -0.064 4.576 4.640 0.000 0.000 0.207 26 D C 1.222 177.571 176.300 0.081 0.000 0.970 26 D CA 1.381 55.421 54.000 0.066 0.000 0.853 26 D CB 0.315 41.131 40.800 0.026 0.000 1.007 26 D HN 0.672 nan 8.370 nan 0.000 0.469 27 E N 0.716 120.979 120.200 0.104 0.000 2.066 27 E HA 0.213 4.563 4.350 0.000 0.000 0.207 27 E C 1.127 177.766 176.600 0.066 0.000 0.937 27 E CA -0.006 56.439 56.400 0.076 0.000 0.906 27 E CB -0.131 29.605 29.700 0.060 0.000 0.986 27 E HN 0.000 nan 8.360 nan 0.000 0.490 28 G N 1.028 109.864 108.800 0.060 0.000 2.343 28 G HA2 0.451 4.411 3.960 0.000 0.000 0.319 28 G HA3 0.451 4.411 3.960 0.000 0.000 0.319 28 G C -1.148 173.659 174.900 -0.155 0.000 1.126 28 G CA -0.508 44.580 45.100 -0.020 0.000 0.889 28 G HN -0.053 nan 8.290 nan 0.000 0.457 29 L N 4.491 125.595 121.223 -0.197 0.000 2.265 29 L HA 0.413 4.753 4.340 0.000 0.000 0.288 29 L C -1.743 174.906 176.870 -0.368 0.000 1.058 29 L CA -2.005 52.598 54.840 -0.394 0.000 0.809 29 L CB 1.173 43.077 42.059 -0.258 0.000 1.179 29 L HN 0.302 nan 8.230 nan 0.000 0.429 30 P HA 0.207 nan 4.420 nan 0.000 0.268 30 P C -2.648 174.663 177.300 0.018 0.000 1.204 30 P CA -1.168 61.759 63.100 -0.289 0.000 0.768 30 P CB -0.146 31.347 31.700 -0.345 0.000 0.842 31 P HA 0.130 nan 4.420 nan 0.000 0.272 31 P C 0.400 177.731 177.300 0.051 0.000 1.240 31 P CA -0.146 62.983 63.100 0.049 0.000 0.791 31 P CB 0.685 32.368 31.700 -0.028 0.000 0.978 32 I N 1.758 122.289 120.570 -0.065 0.000 2.710 32 I HA -0.106 4.064 4.170 0.000 0.000 0.286 32 I C 1.579 177.665 176.117 -0.051 0.000 1.181 32 I CA 0.643 61.912 61.300 -0.052 0.000 1.430 32 I CB -0.259 37.661 38.000 -0.133 0.000 1.367 32 I HN 0.437 nan 8.210 nan 0.000 0.577 33 L N 1.958 123.160 121.223 -0.036 0.000 3.271 33 L HA -0.235 4.105 4.340 0.000 0.000 0.429 33 L C 0.360 177.264 176.870 0.056 0.000 0.724 33 L CA 0.112 54.931 54.840 -0.036 0.000 2.742 33 L CB -1.386 40.590 42.059 -0.139 0.000 0.986 33 L HN 0.667 nan 8.230 nan 0.000 0.656 34 N N 0.999 119.724 118.700 0.041 0.000 2.381 34 N HA 0.430 5.170 4.740 0.000 0.000 0.241 34 N C 0.230 175.780 175.510 0.067 0.000 1.279 34 N CA 0.992 54.072 53.050 0.050 0.000 0.896 34 N CB 0.594 39.093 38.487 0.020 0.000 1.118 34 N HN 0.321 nan 8.380 nan 0.000 0.438 35 A N 1.799 124.659 122.820 0.066 0.000 2.258 35 A HA 0.544 4.864 4.320 0.000 0.000 0.316 35 A C -0.358 177.268 177.584 0.070 0.000 1.279 35 A CA -0.662 51.414 52.037 0.066 0.000 0.876 35 A CB 0.037 19.070 19.000 0.055 0.000 1.170 35 A HN 0.553 nan 8.150 nan 0.000 0.520 36 L N 1.720 122.993 121.223 0.083 0.000 2.344 36 L HA 0.558 4.898 4.340 0.000 0.000 0.272 36 L C -0.060 176.855 176.870 0.074 0.000 1.035 36 L CA -0.785 54.117 54.840 0.104 0.000 0.807 36 L CB 1.253 43.406 42.059 0.157 0.000 1.237 36 L HN 0.576 nan 8.230 nan 0.000 0.442 37 E N 1.924 122.166 120.200 0.069 0.000 2.145 37 E HA 0.300 4.650 4.350 0.000 0.000 0.270 37 E C -0.909 175.711 176.600 0.034 0.000 0.906 37 E CA -0.645 55.782 56.400 0.045 0.000 0.761 37 E CB 2.638 32.363 29.700 0.041 0.000 1.116 37 E HN 0.227 nan 8.360 nan 0.000 0.408 38 V N 4.028 123.955 119.914 0.022 0.000 2.521 38 V HA -0.036 4.084 4.120 0.000 0.000 0.286 38 V C 0.613 176.710 176.094 0.005 0.000 1.034 38 V CA -0.218 62.087 62.300 0.009 0.000 1.045 38 V CB 0.590 32.416 31.823 0.005 0.000 0.974 38 V HN 0.476 nan 8.190 nan 0.000 0.480 39 Q N 2.751 122.549 119.800 -0.003 0.000 2.293 39 Q HA 0.420 4.760 4.340 0.000 0.000 0.251 39 Q C 0.982 176.978 176.000 -0.005 0.000 0.930 39 Q CA 0.527 56.328 55.803 -0.003 0.000 0.893 39 Q CB 1.278 30.012 28.738 -0.007 0.000 1.215 39 Q HN 1.169 nan 8.270 nan 0.000 0.425 40 G N 2.583 111.382 108.800 -0.002 0.000 2.326 40 G HA2 -0.273 3.687 3.960 0.000 0.000 0.286 40 G HA3 -0.273 3.687 3.960 0.000 0.000 0.286 40 G C -0.275 174.624 174.900 -0.002 0.000 1.096 40 G CA -0.007 45.091 45.100 -0.003 0.000 1.003 40 G HN 0.454 nan 8.290 nan 0.000 0.503 41 R N -0.574 119.926 120.500 0.000 0.000 2.628 41 R HA 0.340 4.680 4.340 0.000 0.000 0.288 41 R C 1.066 177.368 176.300 0.002 0.000 0.980 41 R CA -0.979 55.121 56.100 0.001 0.000 0.891 41 R CB 1.131 31.431 30.300 0.001 0.000 1.188 41 R HN 0.124 nan 8.270 nan 0.000 0.450 42 E N 0.672 120.873 120.200 0.002 0.000 2.164 42 E HA -0.193 4.157 4.350 0.000 0.000 0.206 42 E C 0.650 177.251 176.600 0.003 0.000 1.032 42 E CA 2.135 58.536 56.400 0.003 0.000 0.832 42 E CB 0.172 29.873 29.700 0.002 0.000 0.742 42 E HN 0.712 nan 8.360 nan 0.000 0.460 43 T N -2.924 111.632 114.554 0.003 0.000 2.907 43 T HA 0.500 4.850 4.350 0.000 0.000 0.290 43 T C -0.054 174.648 174.700 0.004 0.000 1.066 43 T CA -0.943 61.158 62.100 0.003 0.000 1.012 43 T CB 2.226 71.096 68.868 0.003 0.000 1.184 43 T HN -0.089 nan 8.240 nan 0.000 0.522 44 R N 0.571 121.072 120.500 0.003 0.000 2.404 44 R HA 0.376 4.716 4.340 0.000 0.000 0.315 44 R C -1.063 175.240 176.300 0.005 0.000 1.032 44 R CA -0.494 55.608 56.100 0.004 0.000 0.992 44 R CB -0.182 30.119 30.300 0.001 0.000 0.959 44 R HN 0.531 nan 8.270 nan 0.000 0.428 45 L N 6.285 127.513 121.223 0.008 0.000 2.301 45 L HA 0.310 4.650 4.340 0.000 0.000 0.278 45 L C -1.189 175.690 176.870 0.016 0.000 1.022 45 L CA -0.444 54.403 54.840 0.010 0.000 0.854 45 L CB 1.678 43.742 42.059 0.009 0.000 1.226 45 L HN 0.313 nan 8.230 nan 0.000 0.429 46 V N 6.265 126.189 119.914 0.017 0.000 2.407 46 V HA 0.385 4.505 4.120 0.000 0.000 0.278 46 V C 0.116 176.229 176.094 0.032 0.000 1.037 46 V CA -0.506 61.809 62.300 0.026 0.000 0.900 46 V CB 1.448 33.283 31.823 0.020 0.000 0.983 46 V HN 0.515 nan 8.190 nan 0.000 0.459 47 L N 4.702 125.951 121.223 0.044 0.000 2.287 47 L HA 0.546 4.886 4.340 0.000 0.000 0.287 47 L C 0.240 177.147 176.870 0.062 0.000 1.022 47 L CA -0.272 54.598 54.840 0.050 0.000 0.814 47 L CB 1.509 43.602 42.059 0.057 0.000 1.217 47 L HN 0.686 nan 8.230 nan 0.000 0.420 48 E N 2.705 122.942 120.200 0.061 0.000 2.301 48 E HA 0.332 4.682 4.350 0.000 0.000 0.275 48 E C -0.942 175.698 176.600 0.067 0.000 1.030 48 E CA -0.719 55.725 56.400 0.074 0.000 0.852 48 E CB 1.753 31.510 29.700 0.095 0.000 1.060 48 E HN 0.306 nan 8.360 nan 0.000 0.401 49 V N 3.686 123.640 119.914 0.066 0.000 2.614 49 V HA 0.248 4.369 4.120 0.000 0.000 0.291 49 V C 0.747 176.867 176.094 0.044 0.000 1.049 49 V CA 0.891 63.232 62.300 0.067 0.000 1.038 49 V CB 1.036 32.906 31.823 0.078 0.000 0.980 49 V HN 0.910 nan 8.190 nan 0.000 0.481 50 A N 4.089 126.940 122.820 0.052 0.000 2.242 50 A HA 0.409 4.729 4.320 0.000 0.000 0.205 50 A C 0.489 178.093 177.584 0.034 0.000 1.353 50 A CA 0.057 52.108 52.037 0.024 0.000 1.005 50 A CB 0.514 19.524 19.000 0.017 0.000 1.127 50 A HN 0.770 nan 8.150 nan 0.000 0.498 51 Q N -1.153 118.703 119.800 0.093 0.000 2.575 51 Q HA 0.341 4.681 4.340 0.000 0.000 0.290 51 Q C -1.659 174.509 176.000 0.280 0.000 0.963 51 Q CA -0.668 55.207 55.803 0.121 0.000 0.783 51 Q CB 1.359 30.137 28.738 0.067 0.000 1.467 51 Q HN 0.541 nan 8.270 nan 0.000 0.402 52 H N 1.784 120.850 119.070 -0.007 0.000 2.643 52 H HA 0.250 4.806 4.556 0.000 0.000 0.259 52 H C 0.629 175.960 175.328 0.005 0.000 1.298 52 H CA -0.182 55.866 56.048 -0.001 0.000 1.301 52 H CB 0.582 30.336 29.762 -0.013 0.000 1.422 52 H HN 0.425 nan 8.280 nan 0.000 0.521 53 L N 2.057 123.326 121.223 0.076 0.000 2.549 53 L HA -0.022 4.318 4.340 0.000 0.000 0.230 53 L C 1.212 178.103 176.870 0.035 0.000 1.162 53 L CA 0.681 55.548 54.840 0.045 0.000 0.834 53 L CB -0.529 41.546 42.059 0.026 0.000 0.947 53 L HN 0.761 nan 8.230 nan 0.000 0.452 54 G N 0.476 109.297 108.800 0.036 0.000 2.722 54 G HA2 -0.207 3.753 3.960 0.000 0.000 0.686 54 G HA3 -0.207 3.753 3.960 0.000 0.000 0.686 54 G C 0.099 175.005 174.900 0.011 0.000 1.282 54 G CA -0.199 44.917 45.100 0.027 0.000 0.817 54 G HN 0.436 nan 8.290 nan 0.000 0.605 55 E N -0.557 119.649 120.200 0.010 0.000 2.833 55 E HA -0.197 4.153 4.350 0.000 0.000 0.289 55 E C 1.030 177.634 176.600 0.008 0.000 0.980 55 E CA 1.045 57.449 56.400 0.008 0.000 0.897 55 E CB -1.640 28.064 29.700 0.007 0.000 1.440 55 E HN 2.113 nan 8.360 nan 0.000 0.410 56 S N -2.072 113.629 115.700 0.001 0.000 3.476 56 S HA -0.204 4.266 4.470 0.000 0.000 0.309 56 S C 0.085 174.706 174.600 0.036 0.000 1.222 56 S CA 1.533 59.741 58.200 0.015 0.000 0.922 56 S CB -1.076 62.149 63.200 0.041 0.000 1.023 56 S HN 0.415 nan 8.310 nan 0.000 0.591 57 T N 1.571 116.124 114.554 -0.000 0.000 2.841 57 T HA 0.641 4.991 4.350 0.000 0.000 0.283 57 T C 0.238 174.927 174.700 -0.018 0.000 1.000 57 T CA -0.352 61.761 62.100 0.021 0.000 0.977 57 T CB 1.912 70.788 68.868 0.013 0.000 0.979 57 T HN 0.501 nan 8.240 nan 0.000 0.446 58 V N 1.261 121.193 119.914 0.031 0.000 2.769 58 V HA 0.763 4.883 4.120 0.000 0.000 0.312 58 V C -0.201 175.926 176.094 0.055 0.000 1.058 58 V CA -1.401 60.907 62.300 0.013 0.000 0.952 58 V CB 1.605 33.447 31.823 0.031 0.000 1.019 58 V HN 0.854 nan 8.190 nan 0.000 0.445 59 R N 2.211 122.748 120.500 0.060 0.000 2.265 59 R HA 0.680 5.020 4.340 0.000 0.000 0.328 59 R C -0.177 176.156 176.300 0.054 0.000 0.969 59 R CA 0.219 56.349 56.100 0.049 0.000 0.832 59 R CB 1.236 31.559 30.300 0.038 0.000 1.139 59 R HN 1.152 nan 8.270 nan 0.000 0.457 60 T N 2.065 116.649 114.554 0.050 0.000 2.930 60 T HA 0.526 4.876 4.350 0.000 0.000 0.290 60 T C 0.255 174.975 174.700 0.035 0.000 1.052 60 T CA -1.049 61.081 62.100 0.050 0.000 1.017 60 T CB 1.222 70.127 68.868 0.063 0.000 1.137 60 T HN 0.587 nan 8.240 nan 0.000 0.511 61 I N 0.011 120.601 120.570 0.034 0.000 2.355 61 I HA 0.768 4.938 4.170 0.000 0.000 0.288 61 I C 0.295 176.428 176.117 0.027 0.000 0.999 61 I CA -1.369 59.946 61.300 0.024 0.000 1.163 61 I CB 0.912 38.923 38.000 0.019 0.000 1.316 61 I HN 0.883 nan 8.210 nan 0.000 0.454 62 A N 7.403 130.235 122.820 0.020 0.000 2.540 62 A HA 0.290 4.610 4.320 0.000 0.000 0.239 62 A C 0.944 178.538 177.584 0.017 0.000 1.061 62 A CA -0.097 51.951 52.037 0.019 0.000 0.758 62 A CB 0.317 19.324 19.000 0.012 0.000 0.991 62 A HN 0.883 nan 8.150 nan 0.000 0.502 63 M N 0.923 120.534 119.600 0.018 0.000 2.494 63 M HA 0.182 4.662 4.480 0.000 0.000 0.232 63 M C -0.082 176.224 176.300 0.011 0.000 1.137 63 M CA 0.578 55.887 55.300 0.015 0.000 1.012 63 M CB -1.265 31.344 32.600 0.016 0.000 1.567 63 M HN 0.862 nan 8.290 nan 0.000 0.486 64 D N -1.206 119.199 120.400 0.009 0.000 2.725 64 D HA 0.409 5.050 4.640 0.000 0.000 0.292 64 D C -0.524 175.779 176.300 0.005 0.000 1.288 64 D CA -0.240 53.764 54.000 0.007 0.000 0.784 64 D CB 0.809 41.613 40.800 0.006 0.000 1.308 64 D HN 0.104 nan 8.370 nan 0.000 0.429 65 G N -0.367 108.435 108.800 0.004 0.000 2.225 65 G HA2 0.301 4.261 3.960 0.000 0.000 0.245 65 G HA3 0.301 4.261 3.960 0.000 0.000 0.245 65 G C 0.935 175.836 174.900 0.002 0.000 1.249 65 G CA 0.680 45.781 45.100 0.002 0.000 0.919 65 G HN 0.482 nan 8.290 nan 0.000 0.486 66 T N -0.245 114.310 114.554 0.001 0.000 3.235 66 T HA 0.170 4.520 4.350 0.000 0.000 0.251 66 T C 0.514 175.213 174.700 -0.002 0.000 1.060 66 T CA -0.235 61.865 62.100 -0.000 0.000 0.949 66 T CB -0.269 68.599 68.868 -0.000 0.000 1.020 66 T HN 0.631 nan 8.240 nan 0.000 0.564 67 E N 1.030 121.229 120.200 -0.002 0.000 2.414 67 E HA 0.435 4.785 4.350 0.000 0.000 0.263 67 E C 1.429 178.028 176.600 -0.003 0.000 1.000 67 E CA 0.403 56.801 56.400 -0.003 0.000 0.914 67 E CB -0.156 29.543 29.700 -0.002 0.000 0.948 67 E HN 0.291 nan 8.360 nan 0.000 0.444 68 G N 2.290 111.088 108.800 -0.004 0.000 2.253 68 G HA2 -0.320 3.640 3.960 0.000 0.000 0.251 68 G HA3 -0.320 3.640 3.960 0.000 0.000 0.251 68 G C 0.286 175.182 174.900 -0.007 0.000 0.998 68 G CA 0.002 45.099 45.100 -0.005 0.000 0.621 68 G HN 0.416 nan 8.290 nan 0.000 0.524 69 L N 0.523 121.741 121.223 -0.007 0.000 2.499 69 L HA 0.397 4.737 4.340 0.000 0.000 0.281 69 L C 0.618 177.480 176.870 -0.013 0.000 1.234 69 L CA 0.106 54.940 54.840 -0.010 0.000 0.839 69 L CB 0.770 42.823 42.059 -0.010 0.000 1.104 69 L HN 0.034 nan 8.230 nan 0.000 0.500 70 V N 2.366 122.270 119.914 -0.017 0.000 2.638 70 V HA 0.340 4.460 4.120 0.000 0.000 0.306 70 V C -0.018 176.062 176.094 -0.024 0.000 1.052 70 V CA -0.904 61.385 62.300 -0.018 0.000 0.885 70 V CB 1.869 33.681 31.823 -0.018 0.000 0.999 70 V HN 0.655 nan 8.190 nan 0.000 0.424 71 R N 2.422 122.908 120.500 -0.024 0.000 2.538 71 R HA 0.386 4.726 4.340 0.000 0.000 0.282 71 R C 1.346 177.626 176.300 -0.034 0.000 1.009 71 R CA 1.208 57.291 56.100 -0.029 0.000 1.063 71 R CB 0.091 30.376 30.300 -0.025 0.000 0.945 71 R HN 1.223 nan 8.270 nan 0.000 0.414 72 G N 1.772 110.545 108.800 -0.046 0.000 2.232 72 G HA2 -0.322 3.638 3.960 0.000 0.000 0.226 72 G HA3 -0.322 3.638 3.960 0.000 0.000 0.226 72 G C 0.244 175.111 174.900 -0.055 0.000 0.996 72 G CA 0.053 45.123 45.100 -0.050 0.000 0.626 72 G HN 0.598 nan 8.290 nan 0.000 0.509 73 Q N 1.330 121.101 119.800 -0.049 0.000 2.354 73 Q HA 0.370 4.710 4.340 0.000 0.000 0.310 73 Q C 0.356 176.317 176.000 -0.065 0.000 1.104 73 Q CA 0.694 56.470 55.803 -0.046 0.000 0.968 73 Q CB 0.274 28.991 28.738 -0.036 0.000 1.251 73 Q HN 0.491 nan 8.270 nan 0.000 0.411 74 K N 1.717 122.083 120.400 -0.057 0.000 2.205 74 K HA 0.412 4.732 4.320 0.000 0.000 0.279 74 K C -1.249 175.312 176.600 -0.066 0.000 1.027 74 K CA -0.595 55.649 56.287 -0.071 0.000 0.932 74 K CB 1.389 33.859 32.500 -0.050 0.000 1.032 74 K HN 0.313 nan 8.250 nan 0.000 0.466 75 V N 4.294 124.147 119.914 -0.102 0.000 2.588 75 V HA 0.324 4.444 4.120 0.000 0.000 0.304 75 V C -0.568 175.519 176.094 -0.013 0.000 1.042 75 V CA -0.902 61.361 62.300 -0.060 0.000 0.877 75 V CB 1.518 33.293 31.823 -0.080 0.000 0.996 75 V HN 0.617 nan 8.190 nan 0.000 0.425 76 L N 3.520 124.777 121.223 0.058 0.000 2.276 76 L HA 0.427 4.767 4.340 0.000 0.000 0.286 76 L C -0.050 176.913 176.870 0.155 0.000 1.024 76 L CA -0.541 54.361 54.840 0.104 0.000 0.826 76 L CB 1.386 43.484 42.059 0.064 0.000 1.211 76 L HN 0.669 nan 8.230 nan 0.000 0.422 77 D N 1.929 122.473 120.400 0.241 0.000 2.426 77 D HA -0.088 4.552 4.640 0.000 0.000 0.261 77 D C 1.288 177.643 176.300 0.091 0.000 1.245 77 D CA 0.177 54.278 54.000 0.168 0.000 0.917 77 D CB 1.116 41.966 40.800 0.083 0.000 1.123 77 D HN 0.527 nan 8.370 nan 0.000 0.508 78 S N 2.910 118.656 115.700 0.076 0.000 2.595 78 S HA 0.041 4.511 4.470 0.000 0.000 0.235 78 S C 1.729 176.357 174.600 0.047 0.000 0.974 78 S CA 0.350 58.587 58.200 0.060 0.000 0.942 78 S CB -0.688 62.547 63.200 0.059 0.000 0.766 78 S HN 0.931 nan 8.310 nan 0.000 0.536 79 G N 0.169 108.988 108.800 0.032 0.000 2.258 79 G HA2 0.054 4.014 3.960 0.000 0.000 0.274 79 G HA3 0.054 4.014 3.960 0.000 0.000 0.274 79 G C 0.210 175.123 174.900 0.021 0.000 1.021 79 G CA 0.183 45.291 45.100 0.014 0.000 0.798 79 G HN 1.717 nan 8.290 nan 0.000 0.507 80 A N -1.584 121.256 122.820 0.032 0.000 2.544 80 A HA 0.871 5.191 4.320 0.000 0.000 0.291 80 A C -2.929 174.688 177.584 0.055 0.000 1.055 80 A CA -0.419 51.643 52.037 0.042 0.000 0.651 80 A CB 1.017 20.046 19.000 0.049 0.000 1.296 80 A HN 0.165 nan 8.150 nan 0.000 0.431 81 P HA 0.422 nan 4.420 nan 0.000 0.277 81 P C -0.298 177.040 177.300 0.064 0.000 1.276 81 P CA -0.345 62.816 63.100 0.102 0.000 0.788 81 P CB 0.251 32.048 31.700 0.163 0.000 1.114 82 I N 0.853 121.450 120.570 0.045 0.000 2.664 82 I HA -0.033 4.137 4.170 0.000 0.000 0.284 82 I C 1.278 177.373 176.117 -0.037 0.000 1.154 82 I CA 0.721 62.016 61.300 -0.010 0.000 1.402 82 I CB -0.271 37.705 38.000 -0.039 0.000 1.395 82 I HN 0.071 nan 8.210 nan 0.000 0.545 83 R N 7.675 128.153 120.500 -0.036 0.000 2.604 83 R HA 0.773 5.113 4.340 0.000 0.000 0.287 83 R C -0.567 175.624 176.300 -0.182 0.000 0.970 83 R CA -0.866 55.205 56.100 -0.049 0.000 0.946 83 R CB 2.197 32.526 30.300 0.049 0.000 1.127 83 R HN 0.608 nan 8.270 nan 0.000 0.473 84 I N -1.703 118.735 120.570 -0.221 0.000 2.969 84 I HA 0.532 4.702 4.170 0.000 0.000 0.307 84 I C -2.691 173.164 176.117 -0.436 0.000 1.149 84 I CA -3.345 57.738 61.300 -0.363 0.000 1.008 84 I CB 2.615 40.483 38.000 -0.220 0.000 1.232 84 I HN 0.306 nan 8.210 nan 0.000 0.435 85 P HA 0.116 nan 4.420 nan 0.000 0.265 85 P C -0.338 176.851 177.300 -0.185 0.000 1.222 85 P CA 0.037 62.946 63.100 -0.319 0.000 0.767 85 P CB 0.693 32.248 31.700 -0.241 0.000 0.801 86 V N 1.042 120.862 119.914 -0.155 0.000 2.994 86 V HA 1.022 5.142 4.120 0.000 0.000 0.318 86 V C 0.337 176.065 176.094 -0.610 0.000 1.085 86 V CA -0.225 61.862 62.300 -0.356 0.000 0.998 86 V CB 1.226 32.861 31.823 -0.313 0.000 1.063 86 V HN 0.918 nan 8.190 nan 0.000 0.447 87 G N 2.245 110.398 108.800 -1.078 0.000 2.353 87 G HA2 0.097 4.057 3.960 0.000 0.000 0.615 87 G HA3 0.097 4.057 3.960 0.000 0.000 0.615 87 G C -2.652 172.152 174.900 -0.161 0.000 1.280 87 G CA -0.067 44.423 45.100 -1.017 0.000 1.000 87 G HN 0.613 nan 8.290 nan 0.000 0.516 88 P HA 0.029 nan 4.420 nan 0.000 0.217 88 P C 1.368 178.679 177.300 0.020 0.000 1.150 88 P CA 1.654 64.862 63.100 0.180 0.000 0.832 88 P CB 0.013 31.808 31.700 0.160 0.000 0.787 89 E N -0.731 119.469 120.200 0.000 0.000 2.396 89 E HA -0.141 4.209 4.350 0.000 0.000 0.200 89 E C 1.826 178.407 176.600 -0.031 0.000 1.023 89 E CA 1.657 58.047 56.400 -0.018 0.000 0.857 89 E CB -1.344 28.350 29.700 -0.010 0.000 0.775 89 E HN 0.460 nan 8.360 nan 0.000 0.525 90 T N -1.744 112.794 114.554 -0.027 0.000 2.937 90 T HA 0.020 4.370 4.350 0.000 0.000 0.260 90 T C 0.958 175.636 174.700 -0.036 0.000 1.051 90 T CA -0.128 61.953 62.100 -0.032 0.000 1.141 90 T CB -0.341 68.513 68.868 -0.024 0.000 0.879 90 T HN 0.013 nan 8.240 nan 0.000 0.459 91 L N 2.140 123.329 121.223 -0.057 0.000 2.593 91 L HA 0.296 4.636 4.340 0.000 0.000 0.287 91 L C 1.858 178.678 176.870 -0.083 0.000 1.243 91 L CA 1.056 55.819 54.840 -0.128 0.000 0.890 91 L CB -0.311 41.557 42.059 -0.318 0.000 1.134 91 L HN 0.635 nan 8.230 nan 0.000 0.502 92 G N 1.506 110.271 108.800 -0.059 0.000 2.189 92 G HA2 -0.247 3.713 3.960 0.000 0.000 0.267 92 G HA3 -0.247 3.713 3.960 0.000 0.000 0.267 92 G C 0.408 175.301 174.900 -0.010 0.000 0.975 92 G CA -0.105 44.982 45.100 -0.022 0.000 0.644 92 G HN 0.481 nan 8.290 nan 0.000 0.537 93 R N -0.156 120.312 120.500 -0.053 0.000 2.643 93 R HA 0.729 5.069 4.340 0.000 0.000 0.272 93 R C 0.462 176.655 176.300 -0.179 0.000 0.995 93 R CA -0.950 55.096 56.100 -0.090 0.000 1.032 93 R CB 0.818 31.071 30.300 -0.078 0.000 1.126 93 R HN 0.324 nan 8.270 nan 0.000 0.505 94 I N 2.286 122.696 120.570 -0.268 0.000 2.377 94 I HA 0.462 4.632 4.170 0.000 0.000 0.293 94 I C 0.418 176.381 176.117 -0.257 0.000 0.987 94 I CA -0.475 60.590 61.300 -0.392 0.000 1.185 94 I CB 1.461 39.097 38.000 -0.607 0.000 1.341 94 I HN 0.275 nan 8.210 nan 0.000 0.455 95 M N 5.683 125.145 119.600 -0.230 0.000 2.501 95 M HA 0.404 4.884 4.480 0.000 0.000 0.293 95 M C -1.071 175.180 176.300 -0.082 0.000 1.192 95 M CA -0.558 54.660 55.300 -0.137 0.000 0.886 95 M CB 2.266 34.793 32.600 -0.121 0.000 1.710 95 M HN 0.638 nan 8.290 nan 0.000 0.457 96 N N 1.582 120.248 118.700 -0.056 0.000 2.229 96 N HA 0.088 4.828 4.740 0.000 0.000 0.242 96 N C 0.613 176.111 175.510 -0.021 0.000 1.327 96 N CA 0.268 53.306 53.050 -0.020 0.000 0.896 96 N CB 0.784 39.249 38.487 -0.035 0.000 1.129 96 N HN 0.586 nan 8.380 nan 0.000 0.490 97 V N 0.538 120.446 119.914 -0.011 0.000 2.591 97 V HA -0.084 4.036 4.120 0.000 0.000 0.249 97 V C 1.642 177.707 176.094 -0.048 0.000 1.053 97 V CA 1.382 63.672 62.300 -0.018 0.000 1.068 97 V CB -0.713 31.108 31.823 -0.003 0.000 0.689 97 V HN 0.713 nan 8.190 nan 0.000 0.462 98 I N -0.831 119.708 120.570 -0.053 0.000 3.874 98 I HA 0.674 4.844 4.170 0.000 0.000 0.331 98 I C 1.109 177.156 176.117 -0.116 0.000 1.489 98 I CA 0.217 61.473 61.300 -0.074 0.000 1.187 98 I CB -0.398 37.571 38.000 -0.051 0.000 1.150 98 I HN 0.217 nan 8.210 nan 0.000 0.412 99 G N 1.359 110.085 108.800 -0.123 0.000 2.314 99 G HA2 -0.241 3.719 3.960 0.000 0.000 0.292 99 G HA3 -0.241 3.719 3.960 0.000 0.000 0.292 99 G C -0.285 174.524 174.900 -0.153 0.000 1.059 99 G CA 0.053 45.054 45.100 -0.165 0.000 0.982 99 G HN 0.697 nan 8.290 nan 0.000 0.505 100 E N 0.209 120.347 120.200 -0.105 0.000 2.235 100 E HA 0.514 4.864 4.350 0.000 0.000 0.265 100 E C -2.581 173.971 176.600 -0.080 0.000 0.940 100 E CA -2.263 54.086 56.400 -0.085 0.000 0.819 100 E CB 2.340 32.005 29.700 -0.058 0.000 1.206 100 E HN 0.173 nan 8.360 nan 0.000 0.409 101 P HA 0.194 nan 4.420 nan 0.000 0.285 101 P C -0.018 177.242 177.300 -0.066 0.000 1.259 101 P CA -0.112 62.942 63.100 -0.075 0.000 0.794 101 P CB 0.401 32.066 31.700 -0.059 0.000 0.940 102 I N -0.883 119.633 120.570 -0.090 0.000 3.966 102 I HA 0.304 4.474 4.170 0.000 0.000 0.324 102 I C -0.039 176.018 176.117 -0.100 0.000 1.517 102 I CA -0.243 61.015 61.300 -0.070 0.000 1.117 102 I CB 0.208 38.181 38.000 -0.044 0.000 1.190 102 I HN 0.026 nan 8.210 nan 0.000 0.466 103 D N 0.181 120.508 120.400 -0.121 0.000 2.407 103 D HA 0.011 4.651 4.640 0.000 0.000 0.208 103 D C 0.549 176.842 176.300 -0.012 0.000 1.083 103 D CA 0.128 54.053 54.000 -0.125 0.000 0.844 103 D CB -0.045 40.629 40.800 -0.211 0.000 0.967 103 D HN 0.347 nan 8.370 nan 0.000 0.506 104 E N -0.155 120.038 120.200 -0.012 0.000 2.957 104 E HA -0.228 4.122 4.350 0.000 0.000 0.287 104 E C 0.052 176.663 176.600 0.019 0.000 0.976 104 E CA 0.303 56.709 56.400 0.011 0.000 0.907 104 E CB -1.822 27.896 29.700 0.031 0.000 1.456 104 E HN 0.475 nan 8.360 nan 0.000 0.421 105 R N 0.445 120.951 120.500 0.009 0.000 2.702 105 R HA 0.308 4.648 4.340 0.000 0.000 0.314 105 R C 0.921 177.224 176.300 0.004 0.000 1.152 105 R CA 0.465 56.574 56.100 0.015 0.000 1.097 105 R CB 0.742 31.054 30.300 0.020 0.000 1.343 105 R HN 0.338 nan 8.270 nan 0.000 0.575 106 G N 2.212 111.013 108.800 0.002 0.000 2.860 106 G HA2 -0.228 3.732 3.960 0.000 0.000 0.553 106 G HA3 -0.228 3.732 3.960 0.000 0.000 0.553 106 G C -2.441 172.455 174.900 -0.006 0.000 1.439 106 G CA -1.235 43.866 45.100 0.001 0.000 0.879 106 G HN 0.108 nan 8.290 nan 0.000 0.545 107 P HA 0.234 nan 4.420 nan 0.000 0.265 107 P C 0.348 177.646 177.300 -0.004 0.000 1.187 107 P CA 0.216 63.316 63.100 -0.000 0.000 0.766 107 P CB 0.178 31.887 31.700 0.016 0.000 0.820 108 I N 2.735 123.296 120.570 -0.015 0.000 2.294 108 I HA 0.154 4.324 4.170 0.000 0.000 0.295 108 I C 0.842 176.971 176.117 0.019 0.000 1.098 108 I CA -0.107 61.181 61.300 -0.020 0.000 1.277 108 I CB -0.260 37.704 38.000 -0.059 0.000 1.434 108 I HN 0.070 nan 8.210 nan 0.000 0.498 109 K N 5.995 126.412 120.400 0.028 0.000 2.266 109 K HA 0.340 4.660 4.320 0.000 0.000 0.274 109 K C 0.019 176.651 176.600 0.054 0.000 1.090 109 K CA -0.352 55.969 56.287 0.056 0.000 0.925 109 K CB 0.964 33.487 32.500 0.038 0.000 1.225 109 K HN 0.655 nan 8.250 nan 0.000 0.458 110 T N -1.127 113.490 114.554 0.106 0.000 2.926 110 T HA 0.346 4.696 4.350 0.000 0.000 0.289 110 T C 0.802 175.540 174.700 0.063 0.000 1.054 110 T CA -1.044 61.099 62.100 0.072 0.000 1.015 110 T CB 1.809 70.713 68.868 0.059 0.000 1.167 110 T HN 0.293 nan 8.240 nan 0.000 0.526 111 K N 0.074 120.483 120.400 0.014 0.000 2.044 111 K HA 0.089 4.409 4.320 0.000 0.000 0.204 111 K C 0.305 176.864 176.600 -0.068 0.000 1.045 111 K CA 0.640 56.909 56.287 -0.030 0.000 0.951 111 K CB -0.084 32.414 32.500 -0.003 0.000 0.738 111 K HN 0.498 nan 8.250 nan 0.000 0.443 112 Q N 0.113 119.921 119.800 0.013 0.000 2.214 112 Q HA 0.353 4.693 4.340 0.000 0.000 0.251 112 Q C -0.823 175.366 176.000 0.314 0.000 0.936 112 Q CA -0.272 55.567 55.803 0.060 0.000 0.894 112 Q CB 0.778 29.570 28.738 0.090 0.000 1.252 112 Q HN -0.067 nan 8.270 nan 0.000 0.448 113 F N 0.261 120.187 119.950 -0.040 0.000 2.522 113 F HA 0.801 5.328 4.527 0.000 0.000 0.324 113 F C -0.358 175.423 175.800 -0.031 0.000 1.077 113 F CA -1.873 56.101 58.000 -0.044 0.000 0.944 113 F CB 1.751 40.733 39.000 -0.029 0.000 1.175 113 F HN 0.578 nan 8.300 nan 0.000 0.468 114 A N 1.687 124.577 122.820 0.117 0.000 2.375 114 A HA 0.770 5.090 4.320 0.000 0.000 0.295 114 A C -0.689 176.907 177.584 0.019 0.000 1.066 114 A CA -0.665 51.408 52.037 0.061 0.000 0.722 114 A CB 0.838 19.857 19.000 0.031 0.000 1.206 114 A HN 0.951 nan 8.150 nan 0.000 0.435 115 A N 2.278 125.118 122.820 0.033 0.000 2.511 115 A HA 0.413 4.733 4.320 0.000 0.000 0.242 115 A C 1.330 178.901 177.584 -0.022 0.000 1.069 115 A CA 0.255 52.300 52.037 0.014 0.000 0.763 115 A CB -0.294 18.732 19.000 0.043 0.000 1.001 115 A HN 1.663 nan 8.150 nan 0.000 0.498 116 I N 0.159 120.678 120.570 -0.085 0.000 2.252 116 I HA -0.080 4.090 4.170 0.000 0.000 0.245 116 I C 0.319 176.337 176.117 -0.164 0.000 1.102 116 I CA 0.840 62.041 61.300 -0.164 0.000 1.385 116 I CB -0.573 37.268 38.000 -0.265 0.000 1.064 116 I HN 0.564 nan 8.210 nan 0.000 0.414 117 H N 3.311 122.387 119.070 0.009 0.000 3.089 117 H HA 0.624 5.180 4.556 0.000 0.000 0.262 117 H C -0.257 175.076 175.328 0.008 0.000 1.160 117 H CA 0.104 56.158 56.048 0.010 0.000 1.482 117 H CB 0.350 30.119 29.762 0.010 0.000 1.511 117 H HN 0.464 nan 8.280 nan 0.000 0.483 118 A N 4.298 127.183 122.820 0.108 0.000 2.386 118 A HA 0.376 4.696 4.320 0.000 0.000 0.311 118 A C 0.225 177.842 177.584 0.055 0.000 1.068 118 A CA -0.965 51.111 52.037 0.064 0.000 0.743 118 A CB 1.754 20.776 19.000 0.035 0.000 1.258 118 A HN 0.558 nan 8.150 nan 0.000 0.429 119 E N 0.655 120.880 120.200 0.041 0.000 2.391 119 E HA 0.447 4.797 4.350 0.000 0.000 0.255 119 E C 0.298 176.916 176.600 0.029 0.000 1.187 119 E CA -0.022 56.398 56.400 0.034 0.000 0.941 119 E CB 0.849 30.565 29.700 0.027 0.000 1.010 119 E HN 0.730 nan 8.360 nan 0.000 0.458 120 A N 1.514 124.352 122.820 0.030 0.000 2.282 120 A HA 0.458 4.778 4.320 0.000 0.000 0.319 120 A C -2.232 175.370 177.584 0.031 0.000 1.121 120 A CA -1.617 50.436 52.037 0.028 0.000 0.836 120 A CB -0.083 18.935 19.000 0.031 0.000 1.146 120 A HN 0.299 nan 8.150 nan 0.000 0.494 121 P HA 0.019 nan 4.420 nan 0.000 0.256 121 P C -0.200 177.126 177.300 0.042 0.000 1.173 121 P CA 0.415 63.527 63.100 0.021 0.000 0.768 121 P CB 0.170 31.873 31.700 0.005 0.000 0.758 122 E N 2.098 122.327 120.200 0.048 0.000 2.458 122 E HA -0.109 4.241 4.350 0.000 0.000 0.264 122 E C 0.958 177.629 176.600 0.119 0.000 1.097 122 E CA -0.047 56.405 56.400 0.087 0.000 0.973 122 E CB 0.077 29.821 29.700 0.075 0.000 0.963 122 E HN 0.372 nan 8.360 nan 0.000 0.451 123 F N 1.907 121.857 119.950 -0.000 0.000 2.120 123 F HA -0.239 4.288 4.527 0.000 0.000 0.300 123 F C 1.908 177.706 175.800 -0.003 0.000 1.095 123 F CA 1.824 59.824 58.000 -0.001 0.000 1.249 123 F CB -0.218 38.781 39.000 -0.001 0.000 0.995 123 F HN 0.285 nan 8.300 nan 0.000 0.480 124 V N -2.145 117.799 119.914 0.050 0.000 3.444 124 V HA -0.099 4.021 4.120 0.000 0.000 0.271 124 V C 1.300 177.350 176.094 -0.074 0.000 1.188 124 V CA 1.656 63.933 62.300 -0.039 0.000 1.168 124 V CB -1.019 30.827 31.823 0.038 0.000 0.810 124 V HN 0.471 nan 8.190 nan 0.000 0.500 125 E N -0.587 119.573 120.200 -0.066 0.000 2.389 125 E HA 0.221 4.571 4.350 0.000 0.000 0.199 125 E C 0.602 177.147 176.600 -0.093 0.000 0.978 125 E CA -0.372 55.993 56.400 -0.059 0.000 0.912 125 E CB -0.036 29.648 29.700 -0.026 0.000 0.907 125 E HN 0.401 nan 8.360 nan 0.000 0.494 126 M N 1.795 121.308 119.600 -0.145 0.000 2.246 126 M HA 0.006 4.486 4.480 0.000 0.000 0.327 126 M C 0.635 176.837 176.300 -0.164 0.000 1.090 126 M CA 0.218 55.417 55.300 -0.167 0.000 1.087 126 M CB 0.269 32.702 32.600 -0.278 0.000 1.587 126 M HN -0.058 nan 8.290 nan 0.000 0.444 127 S N 1.375 117.005 115.700 -0.117 0.000 2.632 127 S HA 0.436 4.906 4.470 0.000 0.000 0.271 127 S C 0.610 175.142 174.600 -0.114 0.000 1.260 127 S CA -0.911 57.230 58.200 -0.097 0.000 1.010 127 S CB 0.760 63.921 63.200 -0.065 0.000 0.965 127 S HN 0.465 nan 8.310 nan 0.000 0.534 128 V N 1.569 121.425 119.914 -0.097 0.000 3.483 128 V HA 0.432 4.552 4.120 0.000 0.000 0.301 128 V C 0.274 176.333 176.094 -0.058 0.000 1.389 128 V CA -0.016 62.229 62.300 -0.093 0.000 1.101 128 V CB -1.279 30.490 31.823 -0.089 0.000 0.971 128 V HN 0.790 nan 8.190 nan 0.000 0.434 129 E N 0.094 120.264 120.200 -0.049 0.000 2.367 129 E HA 0.481 4.831 4.350 0.000 0.000 0.273 129 E C -1.056 175.527 176.600 -0.029 0.000 0.903 129 E CA -0.829 55.550 56.400 -0.035 0.000 0.764 129 E CB 1.725 31.408 29.700 -0.029 0.000 1.252 129 E HN 0.122 nan 8.360 nan 0.000 0.446 130 Q N 1.744 121.530 119.800 -0.023 0.000 2.294 130 Q HA 0.312 4.652 4.340 0.000 0.000 0.257 130 Q C -0.872 175.121 176.000 -0.012 0.000 0.955 130 Q CA 0.198 55.990 55.803 -0.018 0.000 0.936 130 Q CB 1.394 30.120 28.738 -0.020 0.000 1.188 130 Q HN 0.468 nan 8.270 nan 0.000 0.420 131 E N 1.956 122.152 120.200 -0.007 0.000 2.275 131 E HA 0.371 4.721 4.350 0.000 0.000 0.270 131 E C -0.678 175.930 176.600 0.014 0.000 0.882 131 E CA -0.592 55.810 56.400 0.004 0.000 0.758 131 E CB 2.520 32.219 29.700 -0.002 0.000 1.195 131 E HN 0.566 nan 8.360 nan 0.000 0.419 132 I N 3.767 124.357 120.570 0.033 0.000 2.529 132 I HA 0.178 4.348 4.170 0.000 0.000 0.284 132 I C -0.900 175.249 176.117 0.052 0.000 1.082 132 I CA -0.430 60.902 61.300 0.054 0.000 1.406 132 I CB 0.477 38.526 38.000 0.082 0.000 1.405 132 I HN 0.487 nan 8.210 nan 0.000 0.548 133 L N 8.850 130.105 121.223 0.053 0.000 2.270 133 L HA 0.371 4.711 4.340 0.000 0.000 0.286 133 L C -0.715 176.193 176.870 0.063 0.000 1.059 133 L CA -0.348 54.499 54.840 0.012 0.000 0.839 133 L CB 0.991 43.033 42.059 -0.028 0.000 1.221 133 L HN 0.471 nan 8.230 nan 0.000 0.431 134 V N 4.429 124.424 119.914 0.134 0.000 2.572 134 V HA 0.121 4.241 4.120 0.000 0.000 0.291 134 V C 1.387 177.567 176.094 0.143 0.000 1.039 134 V CA 0.732 63.101 62.300 0.115 0.000 1.055 134 V CB 0.950 32.827 31.823 0.089 0.000 0.969 134 V HN 0.953 nan 8.190 nan 0.000 0.482 135 T N -0.310 114.235 114.554 -0.016 0.000 2.990 135 T HA 0.313 4.663 4.350 0.000 0.000 0.250 135 T C 1.379 176.025 174.700 -0.090 0.000 1.041 135 T CA 0.611 62.673 62.100 -0.064 0.000 1.010 135 T CB 0.620 69.359 68.868 -0.215 0.000 1.003 135 T HN 1.457 nan 8.240 nan 0.000 0.499 136 G N 1.893 110.648 108.800 -0.076 0.000 2.176 136 G HA2 -0.190 3.770 3.960 0.000 0.000 0.253 136 G HA3 -0.190 3.770 3.960 0.000 0.000 0.253 136 G C 0.017 174.879 174.900 -0.064 0.000 0.979 136 G CA 0.007 45.065 45.100 -0.070 0.000 0.641 136 G HN 0.654 nan 8.290 nan 0.000 0.530 137 I N 1.337 121.859 120.570 -0.081 0.000 2.291 137 I HA 0.203 4.373 4.170 0.000 0.000 0.290 137 I C 1.707 177.803 176.117 -0.034 0.000 1.050 137 I CA -0.704 60.581 61.300 -0.026 0.000 1.245 137 I CB 1.052 39.042 38.000 -0.016 0.000 1.405 137 I HN 0.022 nan 8.210 nan 0.000 0.478 138 K N 3.736 124.125 120.400 -0.018 0.000 2.030 138 K HA -0.250 4.070 4.320 0.000 0.000 0.222 138 K C 1.849 178.385 176.600 -0.107 0.000 1.056 138 K CA 2.278 58.533 56.287 -0.053 0.000 0.957 138 K CB -0.422 32.044 32.500 -0.057 0.000 0.727 138 K HN 0.651 nan 8.250 nan 0.000 0.452 139 V N 0.024 119.892 119.914 -0.075 0.000 2.233 139 V HA -0.252 3.868 4.120 0.000 0.000 0.247 139 V C 2.359 178.405 176.094 -0.080 0.000 1.050 139 V CA 1.953 64.193 62.300 -0.100 0.000 1.010 139 V CB -1.142 30.657 31.823 -0.041 0.000 0.637 139 V HN 0.097 nan 8.190 nan 0.000 0.444 140 V N 1.072 120.954 119.914 -0.053 0.000 2.231 140 V HA -0.316 3.804 4.120 0.000 0.000 0.248 140 V C 2.566 178.613 176.094 -0.079 0.000 1.054 140 V CA 2.680 64.934 62.300 -0.078 0.000 1.015 140 V CB -0.986 30.708 31.823 -0.214 0.000 0.638 140 V HN 0.557 nan 8.190 nan 0.000 0.444 141 D N -0.437 119.907 120.400 -0.094 0.000 2.144 141 D HA -0.139 4.501 4.640 0.000 0.000 0.199 141 D C 1.921 178.237 176.300 0.028 0.000 0.984 141 D CA 1.396 55.375 54.000 -0.036 0.000 0.834 141 D CB -0.199 40.572 40.800 -0.047 0.000 0.955 141 D HN 0.430 nan 8.370 nan 0.000 0.465 142 L N -0.260 120.927 121.223 -0.059 0.000 2.049 142 L HA 0.009 4.349 4.340 0.000 0.000 0.203 142 L C 1.935 178.806 176.870 0.001 0.000 1.074 142 L CA 1.371 56.159 54.840 -0.087 0.000 0.749 142 L CB -0.164 41.687 42.059 -0.347 0.000 0.907 142 L HN -0.058 nan 8.230 nan 0.000 0.439 143 L N -0.758 120.423 121.223 -0.069 0.000 2.425 143 L HA 0.355 4.695 4.340 0.000 0.000 0.215 143 L C 1.170 178.033 176.870 -0.013 0.000 1.065 143 L CA 0.511 55.316 54.840 -0.058 0.000 0.842 143 L CB -0.212 41.784 42.059 -0.106 0.000 1.033 143 L HN 0.254 nan 8.230 nan 0.000 0.474 144 A N 0.026 122.857 122.820 0.018 0.000 3.176 144 A HA 0.441 4.761 4.320 0.000 0.000 0.265 144 A C -2.504 175.164 177.584 0.140 0.000 0.936 144 A CA -1.056 51.018 52.037 0.062 0.000 1.033 144 A CB -0.466 18.573 19.000 0.065 0.000 1.158 144 A HN -0.108 nan 8.150 nan 0.000 0.485 145 P HA -0.067 nan 4.420 nan 0.000 0.261 145 P C -0.375 177.078 177.300 0.255 0.000 1.165 145 P CA 0.798 63.978 63.100 0.134 0.000 0.759 145 P CB 0.107 31.861 31.700 0.090 0.000 0.772 146 Y N 1.744 122.056 120.300 0.020 0.000 2.296 146 Y HA 0.409 4.959 4.550 0.000 0.000 0.343 146 Y C 1.156 177.052 175.900 -0.007 0.000 1.292 146 Y CA -1.199 56.905 58.100 0.006 0.000 1.490 146 Y CB -0.052 38.411 38.460 0.004 0.000 1.359 146 Y HN 0.414 nan 8.280 nan 0.000 0.599 147 A N 1.597 124.492 122.820 0.125 0.000 2.393 147 A HA 0.513 4.833 4.320 0.000 0.000 0.306 147 A C -0.604 176.988 177.584 0.014 0.000 1.050 147 A CA -1.131 50.935 52.037 0.050 0.000 0.724 147 A CB 0.831 19.842 19.000 0.019 0.000 1.248 147 A HN 0.672 nan 8.150 nan 0.000 0.424 148 K N 0.960 121.357 120.400 -0.006 0.000 2.472 148 K HA 0.335 4.655 4.320 0.000 0.000 0.280 148 K C 1.323 177.902 176.600 -0.035 0.000 1.028 148 K CA 1.899 58.164 56.287 -0.036 0.000 1.045 148 K CB 0.054 32.527 32.500 -0.045 0.000 0.902 148 K HN 1.802 nan 8.250 nan 0.000 0.478 149 G N 2.394 111.167 108.800 -0.045 0.000 2.175 149 G HA2 -0.266 3.694 3.960 0.000 0.000 0.265 149 G HA3 -0.266 3.694 3.960 0.000 0.000 0.265 149 G C 0.445 175.323 174.900 -0.037 0.000 0.979 149 G CA 0.209 45.284 45.100 -0.042 0.000 0.663 149 G HN 0.903 nan 8.290 nan 0.000 0.533 150 G N -0.928 107.848 108.800 -0.041 0.000 2.557 150 G HA2 0.639 4.599 3.960 0.000 0.000 0.292 150 G HA3 0.639 4.599 3.960 0.000 0.000 0.292 150 G C -0.397 174.462 174.900 -0.069 0.000 1.237 150 G CA -0.584 44.493 45.100 -0.039 0.000 0.978 150 G HN 0.370 nan 8.290 nan 0.000 0.498 151 K N -0.552 119.815 120.400 -0.055 0.000 2.323 151 K HA 0.546 4.866 4.320 0.000 0.000 0.259 151 K C -1.039 175.507 176.600 -0.091 0.000 0.947 151 K CA -0.289 55.958 56.287 -0.068 0.000 0.819 151 K CB 2.084 34.579 32.500 -0.008 0.000 1.109 151 K HN 0.205 nan 8.250 nan 0.000 0.429 152 I N 1.552 122.023 120.570 -0.165 0.000 2.378 152 I HA 0.348 4.518 4.170 0.000 0.000 0.291 152 I C 0.533 176.647 176.117 -0.005 0.000 0.992 152 I CA -0.366 60.821 61.300 -0.189 0.000 1.154 152 I CB 2.031 39.693 38.000 -0.563 0.000 1.315 152 I HN 0.669 nan 8.210 nan 0.000 0.448 153 G N 6.400 115.280 108.800 0.133 0.000 2.393 153 G HA2 0.470 4.430 3.960 0.000 0.000 0.311 153 G HA3 0.470 4.430 3.960 0.000 0.000 0.311 153 G C -0.776 174.409 174.900 0.474 0.000 1.067 153 G CA -0.360 44.957 45.100 0.362 0.000 1.000 153 G HN 0.524 nan 8.290 nan 0.000 0.422 154 L N 4.215 125.670 121.223 0.387 0.000 2.259 154 L HA 0.648 4.988 4.340 0.000 0.000 0.288 154 L C -1.075 176.069 176.870 0.457 0.000 1.051 154 L CA -0.871 54.207 54.840 0.396 0.000 0.824 154 L CB -0.161 42.074 42.059 0.293 0.000 1.206 154 L HN 0.263 nan 8.230 nan 0.000 0.429 155 F N 3.440 123.455 119.950 0.108 0.000 2.380 155 F HA 0.854 5.381 4.527 0.000 0.000 0.321 155 F C 1.135 176.988 175.800 0.088 0.000 1.103 155 F CA -0.519 57.537 58.000 0.093 0.000 1.067 155 F CB 1.078 40.118 39.000 0.068 0.000 1.265 155 F HN 0.764 nan 8.300 nan 0.000 0.517 156 G N -0.021 108.929 108.800 0.250 0.000 2.690 156 G HA2 0.400 4.360 3.960 0.000 0.000 0.686 156 G HA3 0.400 4.360 3.960 0.000 0.000 0.686 156 G C -0.195 174.785 174.900 0.132 0.000 1.277 156 G CA -0.518 44.680 45.100 0.164 0.000 0.799 156 G HN 1.209 nan 8.290 nan 0.000 0.613 157 G N 0.066 108.929 108.800 0.106 0.000 2.844 157 G HA2 0.901 4.861 3.960 0.000 0.000 0.204 157 G HA3 0.901 4.861 3.960 0.000 0.000 0.204 157 G C 0.693 175.649 174.900 0.092 0.000 1.815 157 G CA 1.107 46.266 45.100 0.098 0.000 0.739 157 G HN 2.238 nan 8.290 nan 0.000 0.807 158 A N -1.229 121.638 122.820 0.078 0.000 2.287 158 A HA 0.586 4.906 4.320 0.000 0.000 0.273 158 A C 1.552 179.184 177.584 0.078 0.000 1.091 158 A CA 0.921 53.003 52.037 0.075 0.000 0.817 158 A CB 0.108 19.143 19.000 0.060 0.000 1.069 158 A HN 2.366 nan 8.150 nan 0.000 0.492 159 G N -0.994 107.858 108.800 0.087 0.000 2.609 159 G HA2 -0.216 3.744 3.960 0.000 0.000 0.235 159 G HA3 -0.216 3.744 3.960 0.000 0.000 0.235 159 G C 0.679 175.666 174.900 0.145 0.000 1.177 159 G CA 1.006 46.168 45.100 0.102 0.000 0.707 159 G HN 2.246 nan 8.290 nan 0.000 0.513 160 V N 0.014 119.994 119.914 0.110 0.000 2.583 160 V HA 0.714 4.834 4.120 0.000 0.000 0.287 160 V C 1.551 177.740 176.094 0.159 0.000 1.051 160 V CA 0.229 62.585 62.300 0.093 0.000 1.010 160 V CB 1.121 32.965 31.823 0.036 0.000 0.988 160 V HN 1.438 nan 8.190 nan 0.000 0.478 161 G N 2.637 111.582 108.800 0.241 0.000 3.250 161 G HA2 -0.121 3.839 3.960 0.000 0.000 0.216 161 G HA3 -0.121 3.839 3.960 0.000 0.000 0.216 161 G C 0.992 176.007 174.900 0.191 0.000 1.091 161 G CA 0.523 45.775 45.100 0.252 0.000 1.654 161 G HN 0.951 nan 8.290 nan 0.000 0.551 162 K N -0.227 120.268 120.400 0.158 0.000 2.001 162 K HA -0.160 4.160 4.320 0.000 0.000 0.214 162 K C 2.399 179.079 176.600 0.133 0.000 1.050 162 K CA 1.979 58.357 56.287 0.152 0.000 0.934 162 K CB -0.321 32.261 32.500 0.137 0.000 0.718 162 K HN 0.321 nan 8.250 nan 0.000 0.443 163 T N 0.900 115.514 114.554 0.100 0.000 2.777 163 T HA -0.100 4.250 4.350 0.000 0.000 0.266 163 T C 1.898 176.643 174.700 0.075 0.000 1.040 163 T CA 1.166 63.299 62.100 0.054 0.000 1.141 163 T CB -0.142 68.742 68.868 0.026 0.000 0.868 163 T HN 0.010 nan 8.240 nan 0.000 0.444 164 V N 1.399 121.390 119.914 0.129 0.000 2.332 164 V HA -0.119 4.001 4.120 0.000 0.000 0.248 164 V C 2.358 178.638 176.094 0.310 0.000 1.055 164 V CA 1.408 63.823 62.300 0.191 0.000 1.038 164 V CB -0.474 31.453 31.823 0.173 0.000 0.651 164 V HN 0.348 nan 8.190 nan 0.000 0.450 165 L N -0.402 121.028 121.223 0.345 0.000 2.093 165 L HA -0.078 4.262 4.340 0.000 0.000 0.208 165 L C 2.092 179.093 176.870 0.218 0.000 1.085 165 L CA 1.823 56.918 54.840 0.424 0.000 0.755 165 L CB -0.439 41.852 42.059 0.386 0.000 0.904 165 L HN 0.230 nan 8.230 nan 0.000 0.435 166 I N -1.161 119.479 120.570 0.117 0.000 2.286 166 I HA -0.312 3.858 4.170 0.000 0.000 0.248 166 I C 2.306 178.382 176.117 -0.068 0.000 1.115 166 I CA 1.460 62.712 61.300 -0.080 0.000 1.392 166 I CB -0.194 37.636 38.000 -0.283 0.000 1.065 166 I HN 0.334 nan 8.210 nan 0.000 0.418 167 M N -0.342 119.258 119.600 -0.001 0.000 2.288 167 M HA -0.147 4.333 4.480 0.000 0.000 0.266 167 M C 2.138 178.448 176.300 0.017 0.000 1.072 167 M CA 1.251 56.559 55.300 0.012 0.000 1.132 167 M CB -0.155 32.456 32.600 0.018 0.000 1.386 167 M HN 0.079 nan 8.290 nan 0.000 0.432 168 E N 1.200 121.387 120.200 -0.022 0.000 2.046 168 E HA -0.110 4.240 4.350 0.000 0.000 0.190 168 E C 1.808 178.324 176.600 -0.140 0.000 0.982 168 E CA 1.153 57.426 56.400 -0.211 0.000 0.800 168 E CB -0.241 28.961 29.700 -0.830 0.000 0.756 168 E HN 0.398 nan 8.360 nan 0.000 0.449 169 L N 0.433 121.638 121.223 -0.031 0.000 1.997 169 L HA -0.266 4.074 4.340 0.000 0.000 0.216 169 L C 2.561 179.524 176.870 0.155 0.000 1.074 169 L CA 1.565 56.468 54.840 0.105 0.000 0.763 169 L CB -0.630 41.636 42.059 0.346 0.000 0.890 169 L HN 0.274 nan 8.230 nan 0.000 0.434 170 I N -0.160 120.539 120.570 0.216 0.000 2.118 170 I HA -0.389 3.781 4.170 0.000 0.000 0.241 170 I C 2.352 178.537 176.117 0.114 0.000 1.070 170 I CA 2.070 63.497 61.300 0.212 0.000 1.327 170 I CB -0.490 37.623 38.000 0.189 0.000 1.034 170 I HN 0.396 nan 8.210 nan 0.000 0.405 171 N N 1.202 119.935 118.700 0.055 0.000 2.018 171 N HA -0.236 4.504 4.740 0.000 0.000 0.196 171 N C 1.541 177.051 175.510 0.001 0.000 1.043 171 N CA 2.065 55.125 53.050 0.017 0.000 0.856 171 N CB -0.116 38.361 38.487 -0.016 0.000 1.042 171 N HN 0.201 nan 8.380 nan 0.000 0.423 172 N N -0.400 118.284 118.700 -0.027 0.000 2.272 172 N HA -0.107 4.633 4.740 0.000 0.000 0.185 172 N C 1.489 177.009 175.510 0.016 0.000 1.014 172 N CA 0.582 53.607 53.050 -0.041 0.000 0.870 172 N CB -0.322 38.114 38.487 -0.085 0.000 0.975 172 N HN 0.147 nan 8.380 nan 0.000 0.433 173 V N 0.671 120.638 119.914 0.088 0.000 2.407 173 V HA -0.072 4.048 4.120 0.000 0.000 0.245 173 V C 2.258 178.404 176.094 0.086 0.000 1.041 173 V CA 1.528 63.931 62.300 0.172 0.000 1.040 173 V CB -0.802 31.119 31.823 0.163 0.000 0.671 173 V HN 0.298 nan 8.190 nan 0.000 0.455 174 A N -0.066 122.780 122.820 0.043 0.000 1.877 174 A HA -0.279 4.041 4.320 0.000 0.000 0.216 174 A C 2.260 179.819 177.584 -0.041 0.000 1.186 174 A CA 2.373 54.407 52.037 -0.005 0.000 0.620 174 A CB -0.465 18.558 19.000 0.039 0.000 0.822 174 A HN 0.525 nan 8.150 nan 0.000 0.443 175 K N -0.456 119.918 120.400 -0.044 0.000 1.963 175 K HA -0.048 4.272 4.320 0.000 0.000 0.216 175 K C 1.918 178.436 176.600 -0.137 0.000 1.045 175 K CA 1.368 57.609 56.287 -0.077 0.000 0.954 175 K CB -0.388 32.069 32.500 -0.072 0.000 0.732 175 K HN 0.316 nan 8.250 nan 0.000 0.442 176 A N 0.057 122.735 122.820 -0.237 0.000 2.239 176 A HA -0.070 4.250 4.320 0.000 0.000 0.209 176 A C 0.555 177.734 177.584 -0.674 0.000 1.171 176 A CA 0.913 52.670 52.037 -0.466 0.000 0.768 176 A CB -0.310 18.333 19.000 -0.594 0.000 0.790 176 A HN 0.545 nan 8.150 nan 0.000 0.478 177 H N -2.824 116.214 119.070 -0.053 0.000 3.726 177 H HA 0.177 4.733 4.556 0.000 0.000 0.262 177 H C 1.451 176.721 175.328 -0.097 0.000 1.181 177 H CA 0.242 56.254 56.048 -0.060 0.000 1.143 177 H CB -0.161 29.574 29.762 -0.046 0.000 1.627 177 H HN 0.560 nan 8.280 nan 0.000 0.750 178 G N 1.609 110.382 108.800 -0.045 0.000 2.200 178 G HA2 -0.283 3.677 3.960 0.000 0.000 0.267 178 G HA3 -0.283 3.677 3.960 0.000 0.000 0.267 178 G C 0.789 175.520 174.900 -0.283 0.000 0.993 178 G CA 0.593 45.603 45.100 -0.150 0.000 0.701 178 G HN 0.661 nan 8.290 nan 0.000 0.524 179 G N -1.075 107.633 108.800 -0.154 0.000 2.395 179 G HA2 0.575 4.535 3.960 0.000 0.000 0.283 179 G HA3 0.575 4.535 3.960 0.000 0.000 0.283 179 G C -0.122 174.671 174.900 -0.178 0.000 1.178 179 G CA -0.650 44.342 45.100 -0.181 0.000 0.837 179 G HN 0.154 nan 8.290 nan 0.000 0.518 180 Y N 0.254 120.493 120.300 -0.101 0.000 2.356 180 Y HA 0.617 5.167 4.550 0.000 0.000 0.341 180 Y C 1.046 176.926 175.900 -0.034 0.000 1.343 180 Y CA -0.925 57.073 58.100 -0.170 0.000 1.570 180 Y CB 1.384 39.505 38.460 -0.566 0.000 1.558 180 Y HN 0.468 nan 8.280 nan 0.000 0.557 181 S N -0.701 115.126 115.700 0.211 0.000 2.588 181 S HA 0.768 5.238 4.470 0.000 0.000 0.275 181 S C -1.456 173.290 174.600 0.244 0.000 1.130 181 S CA -0.874 57.465 58.200 0.232 0.000 0.855 181 S CB 2.022 65.410 63.200 0.315 0.000 1.116 181 S HN 0.282 nan 8.310 nan 0.000 0.472 182 V N 1.624 121.704 119.914 0.277 0.000 2.914 182 V HA 0.689 4.809 4.120 0.000 0.000 0.314 182 V C -1.413 174.911 176.094 0.383 0.000 1.084 182 V CA -0.785 61.676 62.300 0.267 0.000 0.963 182 V CB 1.661 33.598 31.823 0.192 0.000 1.025 182 V HN 0.850 nan 8.190 nan 0.000 0.432 183 F N 2.469 122.531 119.950 0.186 0.000 2.553 183 F HA 0.793 5.320 4.527 0.000 0.000 0.335 183 F C 0.022 175.926 175.800 0.172 0.000 1.148 183 F CA -0.569 57.563 58.000 0.221 0.000 0.963 183 F CB 1.183 40.283 39.000 0.166 0.000 1.217 183 F HN 0.654 nan 8.300 nan 0.000 0.441 184 A N 4.270 126.923 122.820 -0.278 0.000 2.258 184 A HA 0.660 4.980 4.320 0.000 0.000 0.316 184 A C 0.072 177.475 177.584 -0.302 0.000 1.279 184 A CA -0.275 51.673 52.037 -0.148 0.000 0.876 184 A CB 0.273 19.205 19.000 -0.113 0.000 1.170 184 A HN 1.060 nan 8.150 nan 0.000 0.520 185 G N 1.848 110.714 108.800 0.110 0.000 2.607 185 G HA2 0.482 4.442 3.960 0.000 0.000 0.332 185 G HA3 0.482 4.442 3.960 0.000 0.000 0.332 185 G C -0.414 174.523 174.900 0.062 0.000 1.046 185 G CA -0.216 44.959 45.100 0.126 0.000 1.099 185 G HN 0.675 nan 8.290 nan 0.000 0.451 186 V N 2.533 122.456 119.914 0.015 0.000 2.372 186 V HA 0.547 4.667 4.120 0.000 0.000 0.261 186 V C 1.274 177.390 176.094 0.036 0.000 1.055 186 V CA 0.497 62.823 62.300 0.043 0.000 0.930 186 V CB 0.419 32.283 31.823 0.067 0.000 1.031 186 V HN 1.291 nan 8.190 nan 0.000 0.479 187 G N 3.284 112.097 108.800 0.023 0.000 2.256 187 G HA2 -0.187 3.773 3.960 0.000 0.000 0.272 187 G HA3 -0.187 3.773 3.960 0.000 0.000 0.272 187 G C -0.016 174.874 174.900 -0.017 0.000 1.076 187 G CA -0.236 44.867 45.100 0.005 0.000 0.882 187 G HN 0.645 nan 8.290 nan 0.000 0.497 188 E N -0.134 120.034 120.200 -0.054 0.000 2.383 188 E HA 0.200 4.550 4.350 0.000 0.000 0.264 188 E C 0.908 177.446 176.600 -0.104 0.000 1.050 188 E CA -0.269 56.063 56.400 -0.113 0.000 0.896 188 E CB 0.571 30.085 29.700 -0.309 0.000 0.982 188 E HN 0.474 nan 8.360 nan 0.000 0.424 189 R N 1.954 122.402 120.500 -0.086 0.000 2.248 189 R HA 0.102 4.442 4.340 0.000 0.000 0.328 189 R C 1.261 177.516 176.300 -0.076 0.000 1.067 189 R CA -0.172 55.892 56.100 -0.060 0.000 0.924 189 R CB 0.313 30.591 30.300 -0.036 0.000 1.013 189 R HN 0.490 nan 8.270 nan 0.000 0.454 190 T N 2.103 116.621 114.554 -0.059 0.000 2.684 190 T HA -0.306 4.044 4.350 0.000 0.000 0.267 190 T C 1.767 176.457 174.700 -0.015 0.000 1.032 190 T CA 1.909 63.984 62.100 -0.041 0.000 1.155 190 T CB -0.191 68.672 68.868 -0.008 0.000 0.857 190 T HN 0.567 nan 8.240 nan 0.000 0.457 191 R N 0.817 121.312 120.500 -0.008 0.000 2.073 191 R HA -0.113 4.227 4.340 0.000 0.000 0.234 191 R C 2.341 178.650 176.300 0.015 0.000 1.134 191 R CA 1.767 57.873 56.100 0.010 0.000 0.952 191 R CB -0.117 30.185 30.300 0.004 0.000 0.850 191 R HN 0.523 nan 8.270 nan 0.000 0.433 192 E N -0.888 119.305 120.200 -0.011 0.000 2.150 192 E HA -0.096 4.254 4.350 0.000 0.000 0.193 192 E C 1.886 178.472 176.600 -0.024 0.000 0.985 192 E CA 0.920 57.313 56.400 -0.011 0.000 0.814 192 E CB -0.098 29.592 29.700 -0.018 0.000 0.752 192 E HN 0.588 nan 8.360 nan 0.000 0.466 193 G N 2.147 110.891 108.800 -0.094 0.000 2.453 193 G HA2 -0.380 3.580 3.960 0.000 0.000 0.215 193 G HA3 -0.380 3.580 3.960 0.000 0.000 0.215 193 G C 1.371 176.376 174.900 0.176 0.000 1.201 193 G CA 1.155 46.172 45.100 -0.138 0.000 0.784 193 G HN 0.326 nan 8.290 nan 0.000 0.545 194 N N 0.602 119.417 118.700 0.191 0.000 2.192 194 N HA -0.135 4.605 4.740 0.000 0.000 0.188 194 N C 1.556 177.274 175.510 0.346 0.000 1.013 194 N CA 1.802 55.042 53.050 0.316 0.000 0.863 194 N CB -0.229 38.404 38.487 0.244 0.000 0.990 194 N HN 0.208 nan 8.380 nan 0.000 0.430 195 D N -0.543 119.972 120.400 0.191 0.000 2.224 195 D HA -0.074 4.566 4.640 0.000 0.000 0.205 195 D C 1.704 178.082 176.300 0.130 0.000 0.965 195 D CA 0.378 54.464 54.000 0.144 0.000 0.852 195 D CB -0.128 40.714 40.800 0.071 0.000 0.947 195 D HN 0.298 nan 8.370 nan 0.000 0.494 196 L N -0.374 120.917 121.223 0.114 0.000 2.131 196 L HA -0.072 4.268 4.340 0.000 0.000 0.206 196 L C 1.951 178.873 176.870 0.087 0.000 1.087 196 L CA 1.296 56.160 54.840 0.041 0.000 0.767 196 L CB -0.624 41.401 42.059 -0.056 0.000 0.917 196 L HN -0.006 nan 8.230 nan 0.000 0.441 197 Y N 0.613 120.910 120.300 -0.005 0.000 2.036 197 Y HA -0.312 4.238 4.550 0.000 0.000 0.273 197 Y C 2.674 178.481 175.900 -0.156 0.000 1.135 197 Y CA 2.358 60.396 58.100 -0.104 0.000 1.106 197 Y CB -1.025 37.368 38.460 -0.111 0.000 0.976 197 Y HN 0.426 nan 8.280 nan 0.000 0.483 198 H N -0.206 118.803 119.070 -0.102 0.000 2.457 198 H HA -0.098 4.458 4.556 0.000 0.000 0.297 198 H C 2.093 177.360 175.328 -0.102 0.000 1.092 198 H CA 1.669 57.598 56.048 -0.199 0.000 1.309 198 H CB -0.042 29.647 29.762 -0.121 0.000 1.382 198 H HN 0.523 nan 8.280 nan 0.000 0.535 199 E N -0.086 120.143 120.200 0.048 0.000 2.107 199 E HA -0.127 4.223 4.350 0.000 0.000 0.191 199 E C 1.915 178.511 176.600 -0.006 0.000 0.982 199 E CA 0.836 57.252 56.400 0.027 0.000 0.809 199 E CB 0.018 29.735 29.700 0.028 0.000 0.756 199 E HN 0.493 nan 8.360 nan 0.000 0.459 200 M N 0.399 119.978 119.600 -0.035 0.000 2.099 200 M HA -0.154 4.326 4.480 0.000 0.000 0.262 200 M C 2.324 178.592 176.300 -0.053 0.000 1.067 200 M CA 1.333 56.608 55.300 -0.042 0.000 1.124 200 M CB -0.285 32.287 32.600 -0.047 0.000 1.353 200 M HN 0.106 nan 8.290 nan 0.000 0.410 201 I N 0.440 120.941 120.570 -0.115 0.000 2.087 201 I HA -0.360 3.811 4.170 0.000 0.000 0.240 201 I C 2.223 178.304 176.117 -0.060 0.000 1.054 201 I CA 1.761 62.980 61.300 -0.136 0.000 1.311 201 I CB -0.532 37.300 38.000 -0.280 0.000 1.024 201 I HN 0.356 nan 8.210 nan 0.000 0.402 202 E N 0.175 120.359 120.200 -0.027 0.000 2.219 202 E HA -0.224 4.126 4.350 0.000 0.000 0.198 202 E C 1.950 178.563 176.600 0.021 0.000 0.998 202 E CA 1.620 58.031 56.400 0.018 0.000 0.818 202 E CB -0.159 29.574 29.700 0.055 0.000 0.741 202 E HN 0.565 nan 8.360 nan 0.000 0.477 203 S N -1.445 114.261 115.700 0.010 0.000 2.575 203 S HA 0.273 4.743 4.470 0.000 0.000 0.215 203 S C 1.473 176.073 174.600 0.000 0.000 0.966 203 S CA 0.335 58.543 58.200 0.013 0.000 0.911 203 S CB 0.748 63.962 63.200 0.024 0.000 0.780 203 S HN 0.389 nan 8.310 nan 0.000 0.514 204 G N 1.465 110.259 108.800 -0.011 0.000 2.579 204 G HA2 -0.431 3.529 3.960 0.000 0.000 0.222 204 G HA3 -0.431 3.529 3.960 0.000 0.000 0.222 204 G C 1.167 176.060 174.900 -0.011 0.000 1.201 204 G CA 0.456 45.548 45.100 -0.012 0.000 0.710 204 G HN 1.413 nan 8.290 nan 0.000 0.516 205 V N -0.356 119.556 119.914 -0.003 0.000 2.481 205 V HA -0.061 4.059 4.120 0.000 0.000 0.263 205 V C 1.448 177.540 176.094 -0.003 0.000 1.108 205 V CA 2.280 64.584 62.300 0.006 0.000 1.113 205 V CB -0.643 31.189 31.823 0.015 0.000 0.684 205 V HN 0.703 nan 8.190 nan 0.000 0.467 206 I N 0.969 121.527 120.570 -0.020 0.000 2.493 206 I HA 0.508 4.678 4.170 0.000 0.000 0.298 206 I C -0.168 175.927 176.117 -0.037 0.000 0.998 206 I CA -0.244 61.041 61.300 -0.026 0.000 1.137 206 I CB 1.720 39.703 38.000 -0.028 0.000 1.310 206 I HN 0.130 nan 8.210 nan 0.000 0.445 207 N N 5.845 124.527 118.700 -0.030 0.000 2.519 207 N HA 0.316 5.056 4.740 0.000 0.000 0.286 207 N C -0.018 175.477 175.510 -0.024 0.000 1.079 207 N CA -0.328 52.705 53.050 -0.028 0.000 0.878 207 N CB 1.854 40.331 38.487 -0.017 0.000 1.375 207 N HN 0.530 nan 8.380 nan 0.000 0.514 208 L N 2.785 123.990 121.223 -0.031 0.000 2.418 208 L HA 0.097 4.437 4.340 0.000 0.000 0.218 208 L C 2.036 178.901 176.870 -0.008 0.000 1.125 208 L CA 0.912 55.741 54.840 -0.018 0.000 0.835 208 L CB 0.155 42.197 42.059 -0.030 0.000 0.953 208 L HN 0.388 nan 8.230 nan 0.000 0.454 209 K N -0.250 120.143 120.400 -0.010 0.000 2.078 209 K HA -0.030 4.290 4.320 0.000 0.000 0.203 209 K C 0.767 177.366 176.600 -0.002 0.000 1.043 209 K CA 1.066 57.350 56.287 -0.005 0.000 0.960 209 K CB 0.086 32.583 32.500 -0.005 0.000 0.761 209 K HN 0.370 nan 8.250 nan 0.000 0.448 210 D N -1.038 119.360 120.400 -0.004 0.000 2.415 210 D HA 0.238 4.878 4.640 0.000 0.000 0.265 210 D C -0.285 176.014 176.300 -0.003 0.000 1.206 210 D CA -0.628 53.372 54.000 -0.001 0.000 1.113 210 D CB 0.215 41.016 40.800 0.001 0.000 1.192 210 D HN -0.023 nan 8.370 nan 0.000 0.586 211 A N -0.994 121.826 122.820 -0.000 0.000 2.806 211 A HA 0.411 4.731 4.320 0.000 0.000 0.266 211 A C 0.417 178.001 177.584 -0.001 0.000 0.926 211 A CA 0.065 52.099 52.037 -0.005 0.000 1.068 211 A CB -0.607 18.396 19.000 0.005 0.000 1.189 211 A HN 0.537 nan 8.150 nan 0.000 0.481 212 T N -2.293 112.260 114.554 -0.002 0.000 3.134 212 T HA 0.217 4.567 4.350 0.000 0.000 0.260 212 T C 0.467 175.168 174.700 0.002 0.000 1.027 212 T CA 0.296 62.402 62.100 0.011 0.000 0.913 212 T CB -0.405 68.471 68.868 0.013 0.000 1.046 212 T HN 0.218 nan 8.240 nan 0.000 0.553 213 S N 2.151 117.833 115.700 -0.029 0.000 2.533 213 S HA 0.234 4.704 4.470 0.000 0.000 0.282 213 S C 0.675 175.238 174.600 -0.063 0.000 1.304 213 S CA -0.652 57.524 58.200 -0.041 0.000 1.063 213 S CB 0.968 64.135 63.200 -0.055 0.000 0.881 213 S HN 0.507 nan 8.310 nan 0.000 0.493 214 K N 0.834 121.230 120.400 -0.007 0.000 2.373 214 K HA 0.261 4.581 4.320 0.000 0.000 0.202 214 K C -0.547 176.074 176.600 0.035 0.000 1.025 214 K CA 0.047 56.365 56.287 0.051 0.000 1.115 214 K CB 0.273 32.846 32.500 0.122 0.000 0.858 214 K HN 0.425 nan 8.250 nan 0.000 0.525 215 V N 0.108 120.018 119.914 -0.007 0.000 2.925 215 V HA 0.663 4.783 4.120 0.000 0.000 0.311 215 V C -1.001 175.096 176.094 0.004 0.000 1.104 215 V CA -1.476 60.848 62.300 0.041 0.000 0.954 215 V CB 1.796 33.670 31.823 0.085 0.000 1.022 215 V HN 0.061 nan 8.190 nan 0.000 0.427 216 A N 3.715 126.566 122.820 0.051 0.000 2.330 216 A HA 0.920 5.240 4.320 0.000 0.000 0.327 216 A C -0.898 176.713 177.584 0.046 0.000 1.155 216 A CA -0.596 51.459 52.037 0.030 0.000 0.803 216 A CB 0.985 20.028 19.000 0.072 0.000 1.208 216 A HN 0.836 nan 8.150 nan 0.000 0.477 217 L N 2.966 124.152 121.223 -0.061 0.000 2.305 217 L HA 0.527 4.867 4.340 0.000 0.000 0.284 217 L C -0.863 175.885 176.870 -0.203 0.000 1.013 217 L CA -0.891 53.871 54.840 -0.129 0.000 0.819 217 L CB 1.578 43.400 42.059 -0.395 0.000 1.227 217 L HN 0.409 nan 8.230 nan 0.000 0.417 218 V N 3.116 123.014 119.914 -0.026 0.000 2.398 218 V HA 0.441 4.561 4.120 0.000 0.000 0.286 218 V C -0.837 175.387 176.094 0.217 0.000 1.026 218 V CA -0.606 61.699 62.300 0.008 0.000 0.868 218 V CB 1.539 33.387 31.823 0.042 0.000 0.982 218 V HN 0.373 nan 8.190 nan 0.000 0.443 219 Y N 1.941 122.265 120.300 0.040 0.000 2.376 219 Y HA 0.725 5.275 4.550 0.000 0.000 0.340 219 Y C 0.631 176.546 175.900 0.024 0.000 0.965 219 Y CA -1.700 56.429 58.100 0.049 0.000 1.078 219 Y CB 2.467 40.946 38.460 0.031 0.000 1.193 219 Y HN 0.664 nan 8.280 nan 0.000 0.452 220 G N 3.490 112.399 108.800 0.182 0.000 4.106 220 G HA2 0.361 4.321 3.960 0.000 0.000 0.344 220 G HA3 0.361 4.321 3.960 0.000 0.000 0.344 220 G C -0.540 174.383 174.900 0.037 0.000 1.477 220 G CA -0.564 44.588 45.100 0.087 0.000 1.068 220 G HN 0.573 nan 8.290 nan 0.000 0.488 221 Q N 0.578 120.392 119.800 0.024 0.000 2.469 221 Q HA 0.100 4.440 4.340 0.000 0.000 0.279 221 Q C 1.722 177.715 176.000 -0.011 0.000 1.097 221 Q CA 0.387 56.180 55.803 -0.018 0.000 0.951 221 Q CB 0.945 29.676 28.738 -0.012 0.000 1.297 221 Q HN 0.534 nan 8.270 nan 0.000 0.465 222 M N 1.154 120.741 119.600 -0.022 0.000 2.358 222 M HA -0.165 4.315 4.480 0.000 0.000 0.264 222 M C 0.988 177.283 176.300 -0.009 0.000 1.064 222 M CA 1.312 56.603 55.300 -0.015 0.000 1.093 222 M CB -0.277 32.312 32.600 -0.020 0.000 1.401 222 M HN 0.615 nan 8.290 nan 0.000 0.440 223 N N -0.136 118.560 118.700 -0.007 0.000 2.354 223 N HA -0.032 4.708 4.740 0.000 0.000 0.179 223 N C 0.064 175.574 175.510 -0.001 0.000 1.021 223 N CA 0.093 53.141 53.050 -0.003 0.000 0.887 223 N CB -0.180 38.306 38.487 -0.001 0.000 0.974 223 N HN 0.432 nan 8.380 nan 0.000 0.437 224 E N 2.028 122.230 120.200 0.003 0.000 2.467 224 E HA 0.042 4.392 4.350 0.000 0.000 0.264 224 E C -2.176 174.425 176.600 0.002 0.000 1.020 224 E CA -1.357 55.046 56.400 0.006 0.000 0.945 224 E CB 0.286 29.994 29.700 0.013 0.000 0.942 224 E HN 0.144 nan 8.360 nan 0.000 0.449 225 P HA -0.017 nan 4.420 nan 0.000 0.272 225 P C -2.127 175.170 177.300 -0.005 0.000 1.240 225 P CA -1.151 61.947 63.100 -0.003 0.000 0.791 225 P CB -0.065 31.635 31.700 -0.000 0.000 0.978 226 P HA -0.229 nan 4.420 nan 0.000 0.216 226 P C 1.624 178.913 177.300 -0.018 0.000 1.157 226 P CA 2.291 65.377 63.100 -0.024 0.000 0.880 226 P CB -0.737 30.943 31.700 -0.034 0.000 0.791 227 G N -0.068 108.728 108.800 -0.007 0.000 2.440 227 G HA2 -0.256 3.704 3.960 0.000 0.000 0.218 227 G HA3 -0.256 3.704 3.960 0.000 0.000 0.218 227 G C 1.731 176.642 174.900 0.018 0.000 1.154 227 G CA 1.221 46.325 45.100 0.007 0.000 0.767 227 G HN 0.397 nan 8.290 nan 0.000 0.552 228 A N 1.054 123.883 122.820 0.015 0.000 1.873 228 A HA 0.012 4.332 4.320 0.000 0.000 0.215 228 A C 2.415 180.016 177.584 0.029 0.000 1.186 228 A CA 1.475 53.524 52.037 0.020 0.000 0.616 228 A CB -0.344 18.667 19.000 0.017 0.000 0.823 228 A HN 0.374 nan 8.150 nan 0.000 0.442 229 R N -0.206 120.308 120.500 0.023 0.000 2.285 229 R HA 0.077 4.417 4.340 0.000 0.000 0.213 229 R C 2.111 178.442 176.300 0.051 0.000 1.068 229 R CA 0.771 56.891 56.100 0.033 0.000 1.004 229 R CB -0.346 29.963 30.300 0.015 0.000 0.873 229 R HN 0.502 nan 8.270 nan 0.000 0.467 230 A N 1.229 124.066 122.820 0.030 0.000 1.898 230 A HA -0.039 4.281 4.320 0.000 0.000 0.214 230 A C 1.933 179.590 177.584 0.121 0.000 1.183 230 A CA 0.724 52.775 52.037 0.023 0.000 0.622 230 A CB 0.054 19.041 19.000 -0.022 0.000 0.824 230 A HN 0.042 nan 8.150 nan 0.000 0.444 231 R N -0.457 120.096 120.500 0.088 0.000 2.112 231 R HA 0.068 4.408 4.340 0.000 0.000 0.216 231 R C 2.004 178.328 176.300 0.040 0.000 1.080 231 R CA 1.103 57.242 56.100 0.066 0.000 0.996 231 R CB -1.464 28.841 30.300 0.008 0.000 0.902 231 R HN 0.357 nan 8.270 nan 0.000 0.449 232 V N 2.195 122.135 119.914 0.043 0.000 2.357 232 V HA -0.344 3.776 4.120 0.000 0.000 0.257 232 V C 2.540 178.639 176.094 0.008 0.000 1.082 232 V CA 2.224 64.542 62.300 0.030 0.000 1.078 232 V CB -1.049 30.806 31.823 0.055 0.000 0.663 232 V HN 0.334 nan 8.190 nan 0.000 0.455 233 A N -0.325 122.505 122.820 0.016 0.000 1.877 233 A HA -0.125 4.195 4.320 0.000 0.000 0.216 233 A C 2.197 179.724 177.584 -0.095 0.000 1.186 233 A CA 1.876 53.864 52.037 -0.080 0.000 0.620 233 A CB -0.471 18.394 19.000 -0.225 0.000 0.822 233 A HN 0.519 nan 8.150 nan 0.000 0.443 234 L N -0.888 120.300 121.223 -0.059 0.000 1.989 234 L HA -0.214 4.126 4.340 0.000 0.000 0.211 234 L C 2.813 179.632 176.870 -0.085 0.000 1.071 234 L CA 1.970 56.764 54.840 -0.077 0.000 0.749 234 L CB -1.432 40.571 42.059 -0.095 0.000 0.890 234 L HN 0.337 nan 8.230 nan 0.000 0.431 235 T N 0.040 114.544 114.554 -0.083 0.000 2.624 235 T HA -0.224 4.126 4.350 0.000 0.000 0.268 235 T C 1.786 176.454 174.700 -0.053 0.000 1.041 235 T CA 1.803 63.858 62.100 -0.076 0.000 1.159 235 T CB -0.704 68.127 68.868 -0.062 0.000 0.863 235 T HN 0.622 nan 8.240 nan 0.000 0.434 236 G N 1.084 109.862 108.800 -0.037 0.000 2.440 236 G HA2 -0.176 3.784 3.960 0.000 0.000 0.218 236 G HA3 -0.176 3.784 3.960 0.000 0.000 0.218 236 G C 1.513 176.404 174.900 -0.015 0.000 1.154 236 G CA 0.891 45.983 45.100 -0.014 0.000 0.767 236 G HN 0.399 nan 8.290 nan 0.000 0.552 237 L N 0.982 122.179 121.223 -0.045 0.000 1.989 237 L HA -0.060 4.280 4.340 0.000 0.000 0.211 237 L C 2.971 179.828 176.870 -0.021 0.000 1.071 237 L CA 2.624 57.438 54.840 -0.043 0.000 0.749 237 L CB -1.204 40.812 42.059 -0.071 0.000 0.890 237 L HN 0.205 nan 8.230 nan 0.000 0.431 238 T N -1.044 113.490 114.554 -0.034 0.000 2.653 238 T HA -0.233 4.117 4.350 0.000 0.000 0.268 238 T C 1.973 176.663 174.700 -0.017 0.000 1.035 238 T CA 1.890 63.973 62.100 -0.028 0.000 1.154 238 T CB -0.451 68.387 68.868 -0.050 0.000 0.862 238 T HN 0.204 nan 8.240 nan 0.000 0.441 239 V N 1.454 121.354 119.914 -0.023 0.000 2.231 239 V HA -0.256 3.864 4.120 0.000 0.000 0.248 239 V C 2.824 178.940 176.094 0.036 0.000 1.054 239 V CA 2.055 64.340 62.300 -0.025 0.000 1.015 239 V CB -1.214 30.619 31.823 0.017 0.000 0.638 239 V HN 0.580 nan 8.190 nan 0.000 0.444 240 A N -0.876 122.010 122.820 0.111 0.000 1.908 240 A HA -0.283 4.037 4.320 0.000 0.000 0.218 240 A C 2.115 179.781 177.584 0.137 0.000 1.181 240 A CA 2.044 54.196 52.037 0.192 0.000 0.627 240 A CB -0.597 18.480 19.000 0.128 0.000 0.818 240 A HN 0.652 nan 8.150 nan 0.000 0.445 241 E N -1.628 118.608 120.200 0.060 0.000 2.097 241 E HA -0.266 4.084 4.350 0.000 0.000 0.196 241 E C 1.791 178.401 176.600 0.017 0.000 1.000 241 E CA 1.668 58.087 56.400 0.031 0.000 0.804 241 E CB -0.365 29.342 29.700 0.012 0.000 0.740 241 E HN 0.818 nan 8.360 nan 0.000 0.454 242 Y N 0.446 120.653 120.300 -0.156 0.000 2.097 242 Y HA -0.256 4.294 4.550 0.000 0.000 0.282 242 Y C 1.591 177.348 175.900 -0.237 0.000 1.152 242 Y CA 1.591 59.530 58.100 -0.268 0.000 1.136 242 Y CB -0.389 37.790 38.460 -0.469 0.000 0.975 242 Y HN -0.036 nan 8.280 nan 0.000 0.498 243 F N 0.407 120.511 119.950 0.257 0.000 2.664 243 F HA -0.008 4.519 4.527 0.000 0.000 0.297 243 F C 2.449 178.246 175.800 -0.005 0.000 1.164 243 F CA 1.258 59.353 58.000 0.158 0.000 1.472 243 F CB -0.449 38.746 39.000 0.326 0.000 1.108 243 F HN 0.119 nan 8.300 nan 0.000 0.596 244 R N -0.210 120.319 120.500 0.048 0.000 2.215 244 R HA 0.031 4.371 4.340 0.000 0.000 0.190 244 R C 1.085 177.347 176.300 -0.064 0.000 0.968 244 R CA 0.532 56.636 56.100 0.007 0.000 1.122 244 R CB 0.129 30.441 30.300 0.021 0.000 1.151 244 R HN 0.022 nan 8.270 nan 0.000 0.582 245 D N 0.269 120.606 120.400 -0.105 0.000 2.348 245 D HA -0.013 4.627 4.640 0.000 0.000 0.211 245 D C 1.271 177.462 176.300 -0.182 0.000 0.998 245 D CA 0.615 54.547 54.000 -0.113 0.000 0.873 245 D CB 0.626 41.381 40.800 -0.075 0.000 0.925 245 D HN 0.153 nan 8.370 nan 0.000 0.524 246 Q N -0.250 119.343 119.800 -0.344 0.000 2.369 246 Q HA 0.157 4.497 4.340 0.000 0.000 0.254 246 Q C 0.696 176.497 176.000 -0.331 0.000 0.858 246 Q CA 0.438 55.976 55.803 -0.442 0.000 0.961 246 Q CB 1.133 29.294 28.738 -0.961 0.000 1.119 246 Q HN 0.373 nan 8.270 nan 0.000 0.538 247 E N -0.610 119.432 120.200 -0.264 0.000 2.715 247 E HA 0.219 4.569 4.350 0.000 0.000 0.224 247 E C 0.146 176.731 176.600 -0.026 0.000 0.962 247 E CA 0.098 56.449 56.400 -0.082 0.000 1.145 247 E CB 1.148 30.878 29.700 0.049 0.000 1.083 247 E HN 0.263 nan 8.360 nan 0.000 0.506 248 G N 2.973 111.745 108.800 -0.047 0.000 2.441 248 G HA2 -0.337 3.623 3.960 0.000 0.000 0.298 248 G HA3 -0.337 3.623 3.960 0.000 0.000 0.298 248 G C 0.137 175.033 174.900 -0.006 0.000 0.949 248 G CA 0.980 46.065 45.100 -0.025 0.000 1.072 248 G HN 0.253 nan 8.290 nan 0.000 0.512 249 Q N -0.756 119.057 119.800 0.021 0.000 2.298 249 Q HA 0.522 4.862 4.340 0.000 0.000 0.181 249 Q C -0.677 175.325 176.000 0.003 0.000 1.004 249 Q CA -0.796 55.009 55.803 0.003 0.000 1.050 249 Q CB 0.788 29.517 28.738 -0.014 0.000 1.254 249 Q HN 0.179 nan 8.270 nan 0.000 0.531 250 D N 0.956 121.346 120.400 -0.017 0.000 2.458 250 D HA 0.276 4.916 4.640 0.000 0.000 0.258 250 D C -0.858 175.435 176.300 -0.012 0.000 1.134 250 D CA -0.151 53.825 54.000 -0.040 0.000 0.915 250 D CB 0.991 41.719 40.800 -0.121 0.000 1.028 250 D HN 0.136 nan 8.370 nan 0.000 0.508 251 V N 1.375 121.312 119.914 0.038 0.000 3.264 251 V HA 0.312 4.432 4.120 0.000 0.000 0.304 251 V C 0.675 176.777 176.094 0.013 0.000 1.086 251 V CA -0.593 61.755 62.300 0.080 0.000 1.090 251 V CB 1.165 33.091 31.823 0.171 0.000 1.112 251 V HN 0.350 nan 8.190 nan 0.000 0.472 252 L N 2.341 123.574 121.223 0.017 0.000 2.362 252 L HA 0.592 4.932 4.340 0.000 0.000 0.275 252 L C -1.110 175.680 176.870 -0.133 0.000 0.998 252 L CA -0.591 54.182 54.840 -0.111 0.000 0.820 252 L CB 1.780 43.778 42.059 -0.102 0.000 1.270 252 L HN 0.509 nan 8.230 nan 0.000 0.415 253 L N 3.587 124.649 121.223 -0.269 0.000 2.356 253 L HA 0.596 4.936 4.340 0.000 0.000 0.277 253 L C -1.512 175.145 176.870 -0.355 0.000 0.996 253 L CA 0.122 54.849 54.840 -0.189 0.000 0.822 253 L CB 1.539 43.530 42.059 -0.113 0.000 1.256 253 L HN 0.245 nan 8.230 nan 0.000 0.413 254 F N 5.805 125.724 119.950 -0.053 0.000 2.449 254 F HA 0.587 5.114 4.527 0.000 0.000 0.342 254 F C -0.267 175.343 175.800 -0.317 0.000 1.127 254 F CA -0.387 57.535 58.000 -0.131 0.000 0.975 254 F CB 1.527 40.493 39.000 -0.056 0.000 1.146 254 F HN 0.215 nan 8.300 nan 0.000 0.444 255 I N 3.227 123.751 120.570 -0.077 0.000 2.382 255 I HA 0.304 4.474 4.170 0.000 0.000 0.286 255 I C -1.048 175.000 176.117 -0.116 0.000 1.002 255 I CA -0.355 60.845 61.300 -0.166 0.000 1.135 255 I CB 1.439 39.336 38.000 -0.173 0.000 1.288 255 I HN 0.373 nan 8.210 nan 0.000 0.448 256 D N 5.554 125.841 120.400 -0.188 0.000 2.469 256 D HA 0.291 4.931 4.640 0.000 0.000 0.251 256 D C -1.027 175.275 176.300 0.004 0.000 1.173 256 D CA -0.427 53.544 54.000 -0.047 0.000 0.882 256 D CB 1.111 41.918 40.800 0.012 0.000 1.129 256 D HN 0.595 nan 8.370 nan 0.000 0.549 257 N N 2.302 121.036 118.700 0.058 0.000 2.272 257 N HA 0.219 4.959 4.740 0.000 0.000 0.305 257 N C 0.634 176.217 175.510 0.120 0.000 1.103 257 N CA -0.729 52.376 53.050 0.091 0.000 0.791 257 N CB 1.277 39.841 38.487 0.129 0.000 1.356 257 N HN 0.154 nan 8.380 nan 0.000 0.486 258 I N 1.082 121.715 120.570 0.105 0.000 2.381 258 I HA -0.142 4.028 4.170 0.000 0.000 0.255 258 I C 1.379 177.627 176.117 0.219 0.000 1.140 258 I CA 1.285 62.651 61.300 0.111 0.000 1.404 258 I CB -0.502 37.529 38.000 0.051 0.000 1.075 258 I HN 0.741 nan 8.210 nan 0.000 0.433 259 F N 1.379 121.395 119.950 0.111 0.000 2.113 259 F HA -0.180 4.347 4.527 0.000 0.000 0.297 259 F C 2.494 178.372 175.800 0.129 0.000 1.103 259 F CA 1.597 59.679 58.000 0.138 0.000 1.248 259 F CB -0.381 38.755 39.000 0.227 0.000 0.999 259 F HN -0.063 nan 8.300 nan 0.000 0.475 260 R N -0.872 119.707 120.500 0.132 0.000 2.241 260 R HA -0.166 4.174 4.340 0.000 0.000 0.224 260 R C 2.040 178.336 176.300 -0.006 0.000 1.101 260 R CA 1.235 57.343 56.100 0.013 0.000 0.995 260 R CB -0.741 29.607 30.300 0.079 0.000 0.870 260 R HN 0.400 nan 8.270 nan 0.000 0.463 261 F N 1.357 121.242 119.950 -0.108 0.000 2.074 261 F HA -0.128 4.399 4.527 0.000 0.000 0.293 261 F C 2.093 177.814 175.800 -0.132 0.000 1.116 261 F CA 1.589 59.531 58.000 -0.097 0.000 1.212 261 F CB -0.682 38.271 39.000 -0.078 0.000 0.998 261 F HN -0.210 nan 8.300 nan 0.000 0.471 262 T N 0.598 114.959 114.554 -0.322 0.000 2.684 262 T HA -0.222 4.128 4.350 0.000 0.000 0.267 262 T C 1.871 176.356 174.700 -0.359 0.000 1.036 262 T CA 1.703 63.557 62.100 -0.411 0.000 1.148 262 T CB -0.296 68.392 68.868 -0.300 0.000 0.863 262 T HN 0.209 nan 8.240 nan 0.000 0.436 263 Q N 0.658 120.199 119.800 -0.432 0.000 2.096 263 Q HA 0.045 4.385 4.340 0.000 0.000 0.204 263 Q C 2.596 178.467 176.000 -0.215 0.000 0.982 263 Q CA 1.663 57.264 55.803 -0.337 0.000 0.850 263 Q CB -0.895 27.602 28.738 -0.401 0.000 0.901 263 Q HN 0.586 nan 8.270 nan 0.000 0.422 264 A N 0.048 122.740 122.820 -0.214 0.000 1.972 264 A HA -0.053 4.267 4.320 0.000 0.000 0.219 264 A C 2.274 179.744 177.584 -0.189 0.000 1.169 264 A CA 1.660 53.601 52.037 -0.159 0.000 0.635 264 A CB -0.916 18.016 19.000 -0.113 0.000 0.810 264 A HN 0.447 nan 8.150 nan 0.000 0.446 265 G N -0.254 108.370 108.800 -0.293 0.000 2.421 265 G HA2 -0.171 3.789 3.960 0.000 0.000 0.216 265 G HA3 -0.171 3.789 3.960 0.000 0.000 0.216 265 G C 1.822 176.629 174.900 -0.154 0.000 1.171 265 G CA 1.344 46.281 45.100 -0.272 0.000 0.775 265 G HN 0.529 nan 8.290 nan 0.000 0.543 266 S N 1.081 116.706 115.700 -0.125 0.000 2.370 266 S HA -0.119 4.351 4.470 0.000 0.000 0.226 266 S C 2.079 176.631 174.600 -0.079 0.000 1.033 266 S CA 1.591 59.744 58.200 -0.078 0.000 1.011 266 S CB -0.310 62.845 63.200 -0.075 0.000 0.852 266 S HN 0.655 nan 8.310 nan 0.000 0.457 267 E N 1.024 121.171 120.200 -0.088 0.000 2.051 267 E HA -0.106 4.244 4.350 0.000 0.000 0.192 267 E C 2.175 178.742 176.600 -0.055 0.000 0.991 267 E CA 1.339 57.698 56.400 -0.068 0.000 0.799 267 E CB -0.466 29.196 29.700 -0.064 0.000 0.748 267 E HN 0.314 nan 8.360 nan 0.000 0.449 268 V N 1.232 121.109 119.914 -0.062 0.000 2.295 268 V HA -0.282 3.838 4.120 0.000 0.000 0.246 268 V C 2.496 178.565 176.094 -0.042 0.000 1.049 268 V CA 1.915 64.186 62.300 -0.047 0.000 1.024 268 V CB -0.635 31.159 31.823 -0.050 0.000 0.648 268 V HN 0.261 nan 8.190 nan 0.000 0.447 269 S N -0.002 115.668 115.700 -0.051 0.000 2.359 269 S HA -0.270 4.200 4.470 0.000 0.000 0.222 269 S C 2.217 176.797 174.600 -0.032 0.000 1.038 269 S CA 1.967 60.142 58.200 -0.041 0.000 1.051 269 S CB -0.554 62.621 63.200 -0.041 0.000 0.944 269 S HN 0.645 nan 8.310 nan 0.000 0.433 270 A N 1.837 124.635 122.820 -0.036 0.000 1.903 270 A HA -0.115 4.205 4.320 0.000 0.000 0.219 270 A C 2.246 179.815 177.584 -0.025 0.000 1.191 270 A CA 1.932 53.950 52.037 -0.032 0.000 0.638 270 A CB -1.069 17.908 19.000 -0.039 0.000 0.823 270 A HN 0.622 nan 8.150 nan 0.000 0.451 271 L N -0.983 120.225 121.223 -0.025 0.000 2.131 271 L HA -0.139 4.201 4.340 0.000 0.000 0.210 271 L C 1.912 178.774 176.870 -0.013 0.000 1.092 271 L CA 0.925 55.754 54.840 -0.018 0.000 0.759 271 L CB -0.644 41.404 42.059 -0.017 0.000 0.903 271 L HN 0.367 nan 8.230 nan 0.000 0.435 272 L N 0.217 121.431 121.223 -0.015 0.000 2.645 272 L HA 0.110 4.450 4.340 0.000 0.000 0.235 272 L C 1.444 178.308 176.870 -0.009 0.000 1.150 272 L CA 0.309 55.143 54.840 -0.010 0.000 0.911 272 L CB -0.755 41.297 42.059 -0.011 0.000 1.077 272 L HN 0.468 nan 8.230 nan 0.000 0.438 273 G N 0.928 109.721 108.800 -0.012 0.000 2.203 273 G HA2 -0.325 3.635 3.960 0.000 0.000 0.263 273 G HA3 -0.325 3.635 3.960 0.000 0.000 0.263 273 G C 0.367 175.261 174.900 -0.011 0.000 1.012 273 G CA 0.190 45.283 45.100 -0.010 0.000 0.749 273 G HN 0.477 nan 8.290 nan 0.000 0.512 274 R N -0.689 119.803 120.500 -0.013 0.000 2.531 274 R HA 0.585 4.925 4.340 0.000 0.000 0.273 274 R C 0.871 177.164 176.300 -0.011 0.000 1.070 274 R CA -0.846 55.247 56.100 -0.011 0.000 1.112 274 R CB 1.029 31.321 30.300 -0.012 0.000 1.049 274 R HN 0.263 nan 8.270 nan 0.000 0.508 275 I N 3.848 124.414 120.570 -0.008 0.000 2.598 275 I HA 0.033 4.203 4.170 0.000 0.000 0.284 275 I C -1.730 174.384 176.117 -0.005 0.000 1.140 275 I CA -1.545 59.751 61.300 -0.007 0.000 1.420 275 I CB 0.279 38.277 38.000 -0.004 0.000 1.387 275 I HN 0.269 nan 8.210 nan 0.000 0.553 276 P HA 0.109 nan 4.420 nan 0.000 0.272 276 P C -0.307 177.000 177.300 0.011 0.000 1.240 276 P CA -0.380 62.717 63.100 -0.004 0.000 0.791 276 P CB 0.785 32.471 31.700 -0.023 0.000 0.978 277 S N 0.228 115.949 115.700 0.034 0.000 2.505 277 S HA 0.672 5.142 4.470 0.000 0.000 0.273 277 S C 0.101 174.736 174.600 0.058 0.000 1.123 277 S CA -0.536 57.691 58.200 0.044 0.000 1.006 277 S CB -0.347 62.879 63.200 0.044 0.000 1.243 277 S HN 0.527 nan 8.310 nan 0.000 0.498 278 A N 0.317 123.181 122.820 0.073 0.000 2.565 278 A HA 0.444 4.764 4.320 0.000 0.000 0.237 278 A C 1.083 178.747 177.584 0.132 0.000 1.053 278 A CA 0.188 52.275 52.037 0.084 0.000 0.755 278 A CB -1.212 17.835 19.000 0.079 0.000 0.980 278 A HN 1.798 nan 8.150 nan 0.000 0.506 279 V N 1.397 121.360 119.914 0.081 0.000 3.191 279 V HA -0.329 3.791 4.120 0.000 0.000 0.181 279 V C 1.907 177.937 176.094 -0.106 0.000 0.444 279 V CA 1.731 64.061 62.300 0.049 0.000 1.114 279 V CB -2.428 29.502 31.823 0.177 0.000 1.275 279 V HN 2.946 nan 8.190 nan 0.000 1.153 280 G N -2.621 106.136 108.800 -0.072 0.000 2.205 280 G HA2 -0.359 3.601 3.960 0.000 0.000 0.261 280 G HA3 -0.359 3.601 3.960 0.000 0.000 0.261 280 G C -0.007 174.787 174.900 -0.176 0.000 0.980 280 G CA 0.478 45.493 45.100 -0.141 0.000 0.632 280 G HN 0.873 nan 8.290 nan 0.000 0.533 281 Y N 1.756 122.045 120.300 -0.018 0.000 2.223 281 Y HA 0.378 4.928 4.550 0.000 0.000 0.352 281 Y C 1.515 177.386 175.900 -0.047 0.000 1.293 281 Y CA 0.265 58.339 58.100 -0.042 0.000 1.601 281 Y CB 0.246 38.680 38.460 -0.044 0.000 1.407 281 Y HN 0.405 nan 8.280 nan 0.000 0.639 282 Q N 1.716 121.602 119.800 0.144 0.000 2.373 282 Q HA 0.116 4.456 4.340 0.000 0.000 0.255 282 Q C -2.379 173.644 176.000 0.037 0.000 0.980 282 Q CA -1.786 54.042 55.803 0.043 0.000 0.882 282 Q CB 0.837 29.570 28.738 -0.008 0.000 1.249 282 Q HN 0.340 nan 8.270 nan 0.000 0.438 283 P HA -0.097 nan 4.420 nan 0.000 0.220 283 P C 0.863 178.164 177.300 0.001 0.000 1.148 283 P CA 1.496 64.603 63.100 0.011 0.000 0.803 283 P CB -0.055 31.647 31.700 0.003 0.000 0.782 284 T N -3.836 110.712 114.554 -0.010 0.000 3.206 284 T HA 0.159 4.509 4.350 0.000 0.000 0.253 284 T C 1.373 176.056 174.700 -0.028 0.000 1.042 284 T CA -0.348 61.741 62.100 -0.018 0.000 0.931 284 T CB -0.907 67.945 68.868 -0.027 0.000 1.029 284 T HN -0.139 nan 8.240 nan 0.000 0.564 285 L N 2.042 123.248 121.223 -0.029 0.000 1.991 285 L HA -0.122 4.218 4.340 0.000 0.000 0.221 285 L C 2.712 179.556 176.870 -0.042 0.000 1.079 285 L CA 2.496 57.301 54.840 -0.059 0.000 0.778 285 L CB -1.072 40.939 42.059 -0.081 0.000 0.893 285 L HN 0.375 nan 8.230 nan 0.000 0.437 286 A N -1.659 121.152 122.820 -0.015 0.000 1.969 286 A HA -0.188 4.132 4.320 0.000 0.000 0.218 286 A C 2.339 179.950 177.584 0.045 0.000 1.169 286 A CA 2.287 54.338 52.037 0.024 0.000 0.635 286 A CB -1.281 17.735 19.000 0.026 0.000 0.810 286 A HN 0.696 nan 8.150 nan 0.000 0.445 287 T N -2.233 112.334 114.554 0.022 0.000 2.770 287 T HA -0.130 4.220 4.350 0.000 0.000 0.263 287 T C 1.399 176.117 174.700 0.031 0.000 1.039 287 T CA 1.375 63.491 62.100 0.026 0.000 1.142 287 T CB -0.574 68.300 68.868 0.010 0.000 0.868 287 T HN 0.314 nan 8.240 nan 0.000 0.435 288 D N 1.027 121.431 120.400 0.007 0.000 2.172 288 D HA -0.111 4.529 4.640 0.000 0.000 0.196 288 D C 1.900 178.269 176.300 0.115 0.000 0.999 288 D CA 1.403 55.407 54.000 0.007 0.000 0.856 288 D CB -0.393 40.342 40.800 -0.108 0.000 0.934 288 D HN 0.420 nan 8.370 nan 0.000 0.453 289 M N 0.151 119.811 119.600 0.099 0.000 2.160 289 M HA 0.098 4.578 4.480 0.000 0.000 0.264 289 M C 2.001 178.279 176.300 -0.036 0.000 1.073 289 M CA 1.898 57.275 55.300 0.129 0.000 1.142 289 M CB -0.505 32.129 32.600 0.056 0.000 1.358 289 M HN -0.041 nan 8.290 nan 0.000 0.422 290 G N -1.080 107.723 108.800 0.005 0.000 2.408 290 G HA2 -0.202 3.758 3.960 0.000 0.000 0.217 290 G HA3 -0.202 3.758 3.960 0.000 0.000 0.217 290 G C 1.449 176.360 174.900 0.018 0.000 1.150 290 G CA 1.374 46.487 45.100 0.022 0.000 0.776 290 G HN 0.606 nan 8.290 nan 0.000 0.542 291 T N -1.828 112.751 114.554 0.042 0.000 2.977 291 T HA -0.001 4.349 4.350 0.000 0.000 0.271 291 T C 2.061 176.783 174.700 0.036 0.000 1.105 291 T CA 1.386 63.514 62.100 0.045 0.000 1.116 291 T CB -0.034 68.867 68.868 0.055 0.000 0.878 291 T HN 0.173 nan 8.240 nan 0.000 0.509 292 M N 0.062 119.669 119.600 0.012 0.000 2.544 292 M HA 0.117 4.597 4.480 0.000 0.000 0.251 292 M C 2.185 178.406 176.300 -0.131 0.000 1.189 292 M CA 0.962 56.230 55.300 -0.053 0.000 1.218 292 M CB -0.455 32.095 32.600 -0.083 0.000 1.259 292 M HN 0.059 nan 8.290 nan 0.000 0.495 293 Q N 1.282 120.952 119.800 -0.218 0.000 2.096 293 Q HA -0.204 4.136 4.340 0.000 0.000 0.208 293 Q C 1.724 177.665 176.000 -0.098 0.000 0.993 293 Q CA 1.767 57.417 55.803 -0.255 0.000 0.862 293 Q CB -0.833 27.525 28.738 -0.634 0.000 0.915 293 Q HN 0.582 nan 8.270 nan 0.000 0.416 294 E N 0.217 120.395 120.200 -0.037 0.000 2.331 294 E HA -0.165 4.185 4.350 0.000 0.000 0.199 294 E C 1.774 178.381 176.600 0.012 0.000 1.008 294 E CA 0.546 56.964 56.400 0.031 0.000 0.843 294 E CB -0.116 29.622 29.700 0.065 0.000 0.761 294 E HN 0.360 nan 8.360 nan 0.000 0.507 295 R N 0.117 120.609 120.500 -0.014 0.000 2.275 295 R HA 0.141 4.481 4.340 0.000 0.000 0.199 295 R C 0.795 177.081 176.300 -0.024 0.000 0.989 295 R CA 0.181 56.273 56.100 -0.014 0.000 1.016 295 R CB 0.205 30.494 30.300 -0.019 0.000 0.918 295 R HN 0.053 nan 8.270 nan 0.000 0.473 296 I N 2.191 122.741 120.570 -0.034 0.000 2.282 296 I HA 0.112 4.282 4.170 0.000 0.000 0.290 296 I C -0.279 175.824 176.117 -0.024 0.000 1.090 296 I CA 0.002 61.278 61.300 -0.041 0.000 1.231 296 I CB 0.801 38.760 38.000 -0.068 0.000 1.434 296 I HN 0.096 nan 8.210 nan 0.000 0.487 297 T N -0.037 114.503 114.554 -0.022 0.000 2.693 297 T HA 0.270 4.620 4.350 0.000 0.000 0.304 297 T C -0.360 174.324 174.700 -0.026 0.000 1.471 297 T CA -0.843 61.245 62.100 -0.019 0.000 0.993 297 T CB 1.470 70.332 68.868 -0.010 0.000 1.554 297 T HN 0.109 nan 8.240 nan 0.000 0.496 298 T N 2.892 117.428 114.554 -0.030 0.000 2.794 298 T HA 0.568 4.918 4.350 0.000 0.000 0.304 298 T C 0.802 175.478 174.700 -0.039 0.000 0.973 298 T CA -0.399 61.679 62.100 -0.036 0.000 0.972 298 T CB 0.093 68.938 68.868 -0.039 0.000 0.952 298 T HN 0.903 nan 8.240 nan 0.000 0.509 299 T N 1.092 115.625 114.554 -0.036 0.000 2.867 299 T HA 0.413 4.763 4.350 0.000 0.000 0.286 299 T C 1.413 176.088 174.700 -0.041 0.000 1.022 299 T CA -0.765 61.311 62.100 -0.039 0.000 0.933 299 T CB 0.987 69.836 68.868 -0.031 0.000 1.280 299 T HN 0.301 nan 8.240 nan 0.000 0.566 300 K N -0.039 120.336 120.400 -0.042 0.000 2.155 300 K HA 0.060 4.380 4.320 0.000 0.000 0.203 300 K C 2.409 178.989 176.600 -0.032 0.000 1.052 300 K CA 0.947 57.211 56.287 -0.039 0.000 0.948 300 K CB -0.078 32.399 32.500 -0.038 0.000 0.728 300 K HN 0.475 nan 8.250 nan 0.000 0.448 301 K N -0.501 119.880 120.400 -0.032 0.000 2.097 301 K HA -0.026 4.294 4.320 0.000 0.000 0.205 301 K C 1.163 177.745 176.600 -0.030 0.000 1.050 301 K CA 1.118 57.386 56.287 -0.032 0.000 0.938 301 K CB 0.252 32.729 32.500 -0.038 0.000 0.718 301 K HN 0.281 nan 8.250 nan 0.000 0.442 302 G N -0.618 108.165 108.800 -0.028 0.000 2.704 302 G HA2 0.286 4.246 3.960 0.000 0.000 0.118 302 G HA3 0.286 4.246 3.960 0.000 0.000 0.118 302 G C -1.479 173.404 174.900 -0.027 0.000 1.197 302 G CA -0.028 45.057 45.100 -0.025 0.000 1.152 302 G HN 0.184 nan 8.290 nan 0.000 0.571 303 S N -1.130 114.556 115.700 -0.023 0.000 2.578 303 S HA 0.596 5.066 4.470 0.000 0.000 0.285 303 S C -1.535 173.052 174.600 -0.022 0.000 1.126 303 S CA -0.742 57.440 58.200 -0.029 0.000 0.878 303 S CB 1.012 64.185 63.200 -0.044 0.000 1.091 303 S HN 0.886 nan 8.310 nan 0.000 0.450 304 I N 2.195 122.750 120.570 -0.025 0.000 2.404 304 I HA 0.472 4.642 4.170 0.000 0.000 0.293 304 I C -0.248 175.835 176.117 -0.057 0.000 0.992 304 I CA -0.437 60.846 61.300 -0.027 0.000 1.149 304 I CB 2.218 40.207 38.000 -0.019 0.000 1.315 304 I HN 0.693 nan 8.210 nan 0.000 0.446 305 T N 4.161 118.667 114.554 -0.080 0.000 2.797 305 T HA 0.282 4.632 4.350 0.000 0.000 0.279 305 T C -0.419 174.174 174.700 -0.177 0.000 0.991 305 T CA -0.351 61.682 62.100 -0.111 0.000 0.979 305 T CB 1.492 70.305 68.868 -0.093 0.000 0.943 305 T HN 0.501 nan 8.240 nan 0.000 0.444 306 S N 2.448 118.038 115.700 -0.183 0.000 2.449 306 S HA 0.589 5.059 4.470 0.000 0.000 0.310 306 S C -0.496 173.955 174.600 -0.249 0.000 1.096 306 S CA -0.606 57.458 58.200 -0.227 0.000 1.095 306 S CB 0.587 63.687 63.200 -0.167 0.000 1.007 306 S HN 0.471 nan 8.310 nan 0.000 0.474 307 V N 6.298 126.014 119.914 -0.330 0.000 2.333 307 V HA 0.394 4.514 4.120 0.000 0.000 0.274 307 V C -0.218 175.896 176.094 0.033 0.000 1.028 307 V CA -0.491 61.723 62.300 -0.145 0.000 0.851 307 V CB 1.048 32.864 31.823 -0.011 0.000 1.000 307 V HN 0.830 nan 8.190 nan 0.000 0.456 308 Q N 3.187 123.008 119.800 0.035 0.000 2.307 308 Q HA 0.712 5.052 4.340 0.000 0.000 0.262 308 Q C -0.127 175.939 176.000 0.111 0.000 0.961 308 Q CA -0.492 55.341 55.803 0.051 0.000 0.882 308 Q CB 2.245 30.985 28.738 0.004 0.000 1.264 308 Q HN 0.855 nan 8.270 nan 0.000 0.446 309 A N 4.130 127.015 122.820 0.108 0.000 2.309 309 A HA 0.475 4.795 4.320 0.000 0.000 0.290 309 A C -0.415 177.216 177.584 0.077 0.000 1.206 309 A CA -0.355 51.750 52.037 0.114 0.000 0.850 309 A CB -0.037 19.039 19.000 0.127 0.000 1.118 309 A HN 0.739 nan 8.150 nan 0.000 0.523 310 I N 2.082 122.652 120.570 0.000 0.000 2.412 310 I HA 0.274 4.444 4.170 0.000 0.000 0.296 310 I C -0.705 175.343 176.117 -0.115 0.000 0.987 310 I CA -0.563 60.694 61.300 -0.072 0.000 1.180 310 I CB 1.517 39.398 38.000 -0.200 0.000 1.340 310 I HN 0.708 nan 8.210 nan 0.000 0.455 311 Y N 6.683 126.894 120.300 -0.148 0.000 2.447 311 Y HA 0.527 5.077 4.550 0.000 0.000 0.325 311 Y C -0.914 174.775 175.900 -0.351 0.000 0.976 311 Y CA -0.880 57.070 58.100 -0.249 0.000 1.280 311 Y CB 1.028 39.328 38.460 -0.268 0.000 1.104 311 Y HN 0.276 nan 8.280 nan 0.000 0.486 312 V N 9.297 128.683 119.914 -0.880 0.000 2.455 312 V HA 0.269 4.389 4.120 0.000 0.000 0.273 312 V C -1.992 173.502 176.094 -1.001 0.000 1.045 312 V CA -1.658 60.224 62.300 -0.696 0.000 0.976 312 V CB 0.655 32.288 31.823 -0.317 0.000 0.993 312 V HN 0.672 nan 8.190 nan 0.000 0.475 313 P HA 0.240 nan 4.420 nan 0.000 0.276 313 P C 0.395 177.580 177.300 -0.192 0.000 1.235 313 P CA 0.461 63.319 63.100 -0.404 0.000 0.772 313 P CB 1.055 32.735 31.700 -0.034 0.000 0.871 314 A N 3.617 126.359 122.820 -0.131 0.000 2.829 314 A HA -0.258 4.062 4.320 0.000 0.000 0.267 314 A C 0.958 178.499 177.584 -0.071 0.000 1.370 314 A CA 1.275 53.278 52.037 -0.056 0.000 0.900 314 A CB -2.666 16.330 19.000 -0.007 0.000 1.044 314 A HN 0.552 nan 8.150 nan 0.000 0.691 315 D N -1.643 118.675 120.400 -0.137 0.000 3.039 315 D HA -0.183 4.457 4.640 0.000 0.000 0.222 315 D C -0.242 176.036 176.300 -0.037 0.000 1.179 315 D CA 2.055 56.001 54.000 -0.090 0.000 0.880 315 D CB -0.924 39.849 40.800 -0.046 0.000 1.115 315 D HN 0.920 nan 8.370 nan 0.000 0.416 316 D N 0.273 120.652 120.400 -0.036 0.000 2.428 316 D HA 0.209 4.849 4.640 0.000 0.000 0.221 316 D C 1.551 177.880 176.300 0.048 0.000 1.123 316 D CA -0.374 53.634 54.000 0.014 0.000 0.869 316 D CB 0.225 41.039 40.800 0.023 0.000 1.032 316 D HN 0.132 nan 8.370 nan 0.000 0.506 317 L N 2.461 123.739 121.223 0.093 0.000 2.265 317 L HA -0.108 4.232 4.340 0.000 0.000 0.215 317 L C 2.035 179.028 176.870 0.205 0.000 1.117 317 L CA 1.350 56.311 54.840 0.201 0.000 0.782 317 L CB -0.252 41.928 42.059 0.203 0.000 0.914 317 L HN 0.489 nan 8.230 nan 0.000 0.441 318 T N -4.611 110.014 114.554 0.118 0.000 3.206 318 T HA 0.015 4.365 4.350 0.000 0.000 0.253 318 T C 0.539 175.281 174.700 0.069 0.000 1.042 318 T CA -0.547 61.611 62.100 0.096 0.000 0.931 318 T CB -0.321 68.590 68.868 0.072 0.000 1.029 318 T HN 0.104 nan 8.240 nan 0.000 0.564 319 D N 2.216 122.654 120.400 0.063 0.000 2.382 319 D HA 0.115 4.755 4.640 0.000 0.000 0.245 319 D C -1.393 174.912 176.300 0.009 0.000 1.120 319 D CA -1.909 52.135 54.000 0.073 0.000 0.890 319 D CB 1.969 42.831 40.800 0.104 0.000 1.201 319 D HN -0.023 nan 8.370 nan 0.000 0.433 320 P HA -0.189 nan 4.420 nan 0.000 0.216 320 P C 0.966 178.051 177.300 -0.359 0.000 1.157 320 P CA 1.942 64.946 63.100 -0.160 0.000 0.880 320 P CB -0.001 31.618 31.700 -0.136 0.000 0.791 321 A N 0.285 122.781 122.820 -0.541 0.000 1.841 321 A HA -0.152 4.168 4.320 0.000 0.000 0.216 321 A C 0.011 177.448 177.584 -0.246 0.000 1.199 321 A CA 2.617 54.389 52.037 -0.441 0.000 0.621 321 A CB -2.321 16.605 19.000 -0.124 0.000 0.835 321 A HN 0.206 nan 8.150 nan 0.000 0.445 322 P HA -0.142 nan 4.420 nan 0.000 0.214 322 P C 1.771 178.613 177.300 -0.763 0.000 1.163 322 P CA 2.176 64.990 63.100 -0.477 0.000 0.883 322 P CB -0.332 31.187 31.700 -0.302 0.000 0.788 323 A N -0.513 122.107 122.820 -0.333 0.000 1.884 323 A HA -0.266 4.054 4.320 0.000 0.000 0.219 323 A C 2.375 179.877 177.584 -0.137 0.000 1.197 323 A CA 3.016 54.981 52.037 -0.121 0.000 0.637 323 A CB -2.080 16.919 19.000 -0.001 0.000 0.827 323 A HN 0.193 nan 8.150 nan 0.000 0.450 324 T N -0.071 114.390 114.554 -0.156 0.000 2.635 324 T HA -0.162 4.189 4.350 0.000 0.000 0.267 324 T C 2.028 176.714 174.700 -0.024 0.000 1.040 324 T CA 2.173 64.227 62.100 -0.076 0.000 1.156 324 T CB -0.745 68.064 68.868 -0.098 0.000 0.863 324 T HN 0.653 nan 8.240 nan 0.000 0.430 325 T N 1.961 116.425 114.554 -0.151 0.000 2.699 325 T HA -0.109 4.241 4.350 0.000 0.000 0.268 325 T C 1.558 176.267 174.700 0.015 0.000 1.036 325 T CA 1.206 63.249 62.100 -0.095 0.000 1.147 325 T CB -0.607 68.119 68.868 -0.236 0.000 0.862 325 T HN 0.316 nan 8.240 nan 0.000 0.446 326 F N 1.822 121.831 119.950 0.099 0.000 2.333 326 F HA 0.144 4.671 4.527 0.000 0.000 0.300 326 F C 2.560 178.380 175.800 0.035 0.000 1.083 326 F CA -0.257 57.788 58.000 0.076 0.000 1.395 326 F CB -1.275 37.761 39.000 0.060 0.000 1.056 326 F HN 0.169 nan 8.300 nan 0.000 0.529 327 A N -1.029 121.876 122.820 0.141 0.000 2.125 327 A HA -0.171 4.149 4.320 0.000 0.000 0.219 327 A C 1.721 179.161 177.584 -0.240 0.000 1.156 327 A CA 1.522 53.521 52.037 -0.063 0.000 0.671 327 A CB -0.824 18.072 19.000 -0.174 0.000 0.794 327 A HN 0.499 nan 8.150 nan 0.000 0.459 328 H N -1.609 117.504 119.070 0.071 0.000 2.827 328 H HA 0.311 4.867 4.556 0.000 0.000 0.269 328 H C -0.132 175.225 175.328 0.047 0.000 1.031 328 H CA -0.244 55.830 56.048 0.044 0.000 1.202 328 H CB 0.235 30.009 29.762 0.020 0.000 1.511 328 H HN 0.312 nan 8.280 nan 0.000 0.517 329 L N 1.819 123.154 121.223 0.187 0.000 2.349 329 L HA 0.103 4.443 4.340 0.000 0.000 0.275 329 L C 0.832 177.744 176.870 0.069 0.000 1.115 329 L CA 0.006 54.928 54.840 0.137 0.000 0.820 329 L CB 1.126 43.308 42.059 0.206 0.000 1.135 329 L HN 0.067 nan 8.230 nan 0.000 0.445 330 D N 2.013 122.428 120.400 0.026 0.000 2.389 330 D HA 0.295 4.935 4.640 0.000 0.000 0.206 330 D C 0.299 176.592 176.300 -0.012 0.000 1.055 330 D CA 0.421 54.422 54.000 0.001 0.000 0.856 330 D CB 1.309 42.104 40.800 -0.009 0.000 0.957 330 D HN 0.601 nan 8.370 nan 0.000 0.509 331 A N 0.406 123.212 122.820 -0.023 0.000 2.581 331 A HA 0.451 4.771 4.320 0.000 0.000 0.294 331 A C -0.695 176.863 177.584 -0.044 0.000 1.035 331 A CA -0.745 51.272 52.037 -0.034 0.000 0.684 331 A CB 0.985 19.979 19.000 -0.010 0.000 1.282 331 A HN -0.031 nan 8.150 nan 0.000 0.417 332 T N -1.107 113.409 114.554 -0.064 0.000 2.888 332 T HA 0.779 5.130 4.350 0.000 0.000 0.284 332 T C -0.442 174.224 174.700 -0.057 0.000 1.017 332 T CA -0.523 61.515 62.100 -0.103 0.000 1.022 332 T CB 1.777 70.424 68.868 -0.369 0.000 1.013 332 T HN 0.791 nan 8.240 nan 0.000 0.465 333 T N 2.588 117.153 114.554 0.018 0.000 2.991 333 T HA 0.411 4.761 4.350 0.000 0.000 0.347 333 T C -0.339 174.414 174.700 0.089 0.000 1.122 333 T CA -0.493 61.673 62.100 0.110 0.000 1.062 333 T CB 0.424 69.455 68.868 0.271 0.000 1.043 333 T HN 0.637 nan 8.240 nan 0.000 0.491 334 V N 6.019 125.918 119.914 -0.025 0.000 2.356 334 V HA 0.300 4.420 4.120 0.000 0.000 0.258 334 V C 0.527 176.663 176.094 0.070 0.000 1.065 334 V CA -0.634 61.666 62.300 -0.000 0.000 0.935 334 V CB 0.070 31.815 31.823 -0.131 0.000 1.061 334 V HN 0.725 nan 8.190 nan 0.000 0.484 335 L N 4.138 125.442 121.223 0.135 0.000 2.380 335 L HA 0.380 4.720 4.340 0.000 0.000 0.273 335 L C 0.588 177.494 176.870 0.059 0.000 1.138 335 L CA 0.519 55.413 54.840 0.091 0.000 0.832 335 L CB 1.313 43.442 42.059 0.117 0.000 1.124 335 L HN 0.698 nan 8.230 nan 0.000 0.454 336 S N 3.145 118.847 115.700 0.003 0.000 2.561 336 S HA 0.349 4.819 4.470 0.000 0.000 0.303 336 S C 0.824 175.400 174.600 -0.039 0.000 1.110 336 S CA -0.792 57.404 58.200 -0.007 0.000 1.034 336 S CB 1.626 64.816 63.200 -0.016 0.000 1.010 336 S HN 0.675 nan 8.310 nan 0.000 0.482 337 R N 2.606 123.099 120.500 -0.012 0.000 2.105 337 R HA -0.113 4.227 4.340 0.000 0.000 0.239 337 R C 2.319 178.603 176.300 -0.028 0.000 1.135 337 R CA 1.677 57.768 56.100 -0.014 0.000 0.967 337 R CB -0.556 29.752 30.300 0.012 0.000 0.861 337 R HN 0.791 nan 8.270 nan 0.000 0.442 338 A N 1.462 124.268 122.820 -0.023 0.000 1.858 338 A HA -0.163 4.157 4.320 0.000 0.000 0.216 338 A C 2.047 179.608 177.584 -0.037 0.000 1.190 338 A CA 1.160 53.184 52.037 -0.022 0.000 0.617 338 A CB -0.424 18.566 19.000 -0.018 0.000 0.827 338 A HN 0.100 nan 8.150 nan 0.000 0.443 339 I N 0.223 120.759 120.570 -0.056 0.000 2.151 339 I HA -0.316 3.854 4.170 0.000 0.000 0.243 339 I C 2.975 179.016 176.117 -0.127 0.000 1.080 339 I CA 1.646 62.902 61.300 -0.074 0.000 1.339 339 I CB -1.676 36.271 38.000 -0.089 0.000 1.039 339 I HN 0.386 nan 8.210 nan 0.000 0.409 340 A N 0.270 122.959 122.820 -0.219 0.000 1.948 340 A HA -0.243 4.077 4.320 0.000 0.000 0.220 340 A C 2.217 179.764 177.584 -0.061 0.000 1.177 340 A CA 1.819 53.648 52.037 -0.347 0.000 0.636 340 A CB -0.738 18.069 19.000 -0.321 0.000 0.815 340 A HN 0.528 nan 8.150 nan 0.000 0.449 341 E N -0.459 119.728 120.200 -0.021 0.000 2.268 341 E HA -0.063 4.287 4.350 0.000 0.000 0.195 341 E C 1.291 177.911 176.600 0.033 0.000 0.995 341 E CA 0.597 57.012 56.400 0.025 0.000 0.836 341 E CB -0.189 29.520 29.700 0.016 0.000 0.763 341 E HN 0.674 nan 8.360 nan 0.000 0.491 342 L N -0.730 120.507 121.223 0.023 0.000 2.591 342 L HA 0.159 4.499 4.340 0.000 0.000 0.228 342 L C 1.519 178.428 176.870 0.065 0.000 1.133 342 L CA 0.390 55.250 54.840 0.033 0.000 0.880 342 L CB -0.075 42.007 42.059 0.038 0.000 1.033 342 L HN 0.270 nan 8.230 nan 0.000 0.450 343 G N 0.836 109.712 108.800 0.126 0.000 2.205 343 G HA2 -0.304 3.656 3.960 0.000 0.000 0.261 343 G HA3 -0.304 3.656 3.960 0.000 0.000 0.261 343 G C 0.354 175.510 174.900 0.427 0.000 0.980 343 G CA -0.176 45.082 45.100 0.263 0.000 0.632 343 G HN 0.300 nan 8.290 nan 0.000 0.533 344 I N 0.790 121.510 120.570 0.251 0.000 2.587 344 I HA 0.372 4.542 4.170 0.000 0.000 0.284 344 I C 0.078 176.202 176.117 0.011 0.000 1.134 344 I CA 0.259 61.683 61.300 0.207 0.000 1.410 344 I CB 0.165 38.232 38.000 0.112 0.000 1.392 344 I HN 0.130 nan 8.210 nan 0.000 0.545 345 Y N 6.886 127.164 120.300 -0.037 0.000 2.479 345 Y HA 0.334 4.884 4.550 0.000 0.000 0.338 345 Y C -2.308 173.427 175.900 -0.275 0.000 1.055 345 Y CA -2.398 55.611 58.100 -0.152 0.000 1.023 345 Y CB 1.886 40.232 38.460 -0.191 0.000 1.287 345 Y HN 0.408 nan 8.280 nan 0.000 0.447 346 P HA 0.058 nan 4.420 nan 0.000 0.266 346 P C -0.123 177.108 177.300 -0.115 0.000 1.195 346 P CA 0.061 63.095 63.100 -0.110 0.000 0.768 346 P CB 0.842 32.562 31.700 0.033 0.000 0.838 347 A N 3.420 126.097 122.820 -0.239 0.000 2.324 347 A HA 0.121 4.441 4.320 0.000 0.000 0.240 347 A C 0.611 178.133 177.584 -0.103 0.000 1.347 347 A CA -0.054 51.812 52.037 -0.285 0.000 1.036 347 A CB -1.061 17.652 19.000 -0.478 0.000 0.917 347 A HN 0.401 nan 8.150 nan 0.000 0.519 348 V N 1.118 121.013 119.914 -0.033 0.000 2.637 348 V HA 0.037 4.157 4.120 0.000 0.000 0.296 348 V C 0.324 176.410 176.094 -0.014 0.000 1.046 348 V CA -0.267 62.038 62.300 0.009 0.000 1.066 348 V CB 1.211 33.061 31.823 0.044 0.000 0.968 348 V HN 0.535 nan 8.190 nan 0.000 0.483 349 D N 7.151 127.542 120.400 -0.016 0.000 2.339 349 D HA 0.234 4.874 4.640 0.000 0.000 0.241 349 D C -1.433 174.846 176.300 -0.035 0.000 1.183 349 D CA -2.143 51.840 54.000 -0.027 0.000 0.859 349 D CB 1.859 42.639 40.800 -0.033 0.000 1.067 349 D HN 0.247 nan 8.370 nan 0.000 0.484 350 P HA -0.056 nan 4.420 nan 0.000 0.228 350 P C 1.191 178.460 177.300 -0.052 0.000 1.151 350 P CA 0.697 63.770 63.100 -0.045 0.000 0.770 350 P CB 0.430 32.107 31.700 -0.038 0.000 0.786 351 L N -1.651 119.544 121.223 -0.047 0.000 2.575 351 L HA 0.187 4.527 4.340 0.000 0.000 0.228 351 L C 1.670 178.500 176.870 -0.067 0.000 1.075 351 L CA 0.515 55.324 54.840 -0.052 0.000 0.867 351 L CB -0.305 41.729 42.059 -0.041 0.000 1.097 351 L HN -0.196 nan 8.230 nan 0.000 0.485 352 D N -0.293 120.062 120.400 -0.075 0.000 2.277 352 D HA 0.019 4.659 4.640 0.000 0.000 0.209 352 D C 0.702 176.915 176.300 -0.147 0.000 0.970 352 D CA 0.440 54.377 54.000 -0.106 0.000 0.874 352 D CB 0.346 41.085 40.800 -0.102 0.000 0.982 352 D HN -0.011 nan 8.370 nan 0.000 0.504 353 S N 0.195 115.824 115.700 -0.117 0.000 2.531 353 S HA 0.396 4.866 4.470 0.000 0.000 0.279 353 S C 0.193 174.737 174.600 -0.094 0.000 1.305 353 S CA -0.063 58.067 58.200 -0.116 0.000 1.058 353 S CB 1.339 64.509 63.200 -0.051 0.000 0.899 353 S HN 0.012 nan 8.310 nan 0.000 0.493 354 T N 1.884 116.376 114.554 -0.104 0.000 2.901 354 T HA 0.645 4.995 4.350 0.000 0.000 0.293 354 T C -0.702 173.975 174.700 -0.038 0.000 1.084 354 T CA -0.648 61.408 62.100 -0.074 0.000 1.008 354 T CB 1.860 70.667 68.868 -0.102 0.000 1.170 354 T HN 0.477 nan 8.240 nan 0.000 0.509 355 S N -0.175 115.513 115.700 -0.019 0.000 2.575 355 S HA 0.383 4.853 4.470 0.000 0.000 0.278 355 S C 0.811 175.408 174.600 -0.005 0.000 1.139 355 S CA -0.751 57.449 58.200 0.000 0.000 0.954 355 S CB 1.531 64.751 63.200 0.032 0.000 1.054 355 S HN 0.781 nan 8.310 nan 0.000 0.483 356 R N 3.596 124.091 120.500 -0.008 0.000 2.096 356 R HA -0.007 4.333 4.340 0.000 0.000 0.235 356 R C 1.830 178.124 176.300 -0.010 0.000 1.127 356 R CA 2.237 58.331 56.100 -0.010 0.000 0.968 356 R CB -0.511 29.783 30.300 -0.011 0.000 0.861 356 R HN 0.858 nan 8.270 nan 0.000 0.440 357 I N -1.587 118.977 120.570 -0.010 0.000 3.334 357 I HA 0.014 4.184 4.170 0.000 0.000 0.282 357 I C 0.639 176.734 176.117 -0.036 0.000 1.313 357 I CA 0.333 61.618 61.300 -0.025 0.000 1.396 357 I CB -0.155 37.831 38.000 -0.022 0.000 1.054 357 I HN 0.110 nan 8.210 nan 0.000 0.495 358 M N 3.216 122.814 119.600 -0.003 0.000 3.709 358 M HA 0.135 4.615 4.480 0.000 0.000 0.197 358 M C -0.742 175.661 176.300 0.171 0.000 1.511 358 M CA 0.630 55.961 55.300 0.052 0.000 1.688 358 M CB -1.386 31.242 32.600 0.047 0.000 1.109 358 M HN 0.289 nan 8.290 nan 0.000 0.561 359 D N 1.544 121.950 120.400 0.010 0.000 2.629 359 D HA 0.392 5.032 4.640 0.000 0.000 0.250 359 D C -1.925 174.185 176.300 -0.318 0.000 1.126 359 D CA -1.796 52.069 54.000 -0.224 0.000 0.852 359 D CB 2.165 42.864 40.800 -0.168 0.000 1.335 359 D HN 0.026 nan 8.370 nan 0.000 0.518 360 P HA -0.148 nan 4.420 nan 0.000 0.217 360 P C 0.491 177.676 177.300 -0.193 0.000 1.148 360 P CA 1.122 63.992 63.100 -0.383 0.000 0.828 360 P CB 0.185 31.577 31.700 -0.513 0.000 0.783 361 N N -1.190 117.377 118.700 -0.221 0.000 2.520 361 N HA -0.011 4.729 4.740 0.000 0.000 0.185 361 N C 1.554 177.012 175.510 -0.087 0.000 1.068 361 N CA 0.700 53.673 53.050 -0.127 0.000 0.911 361 N CB -0.202 38.212 38.487 -0.122 0.000 0.961 361 N HN 0.250 nan 8.380 nan 0.000 0.446 362 I N -1.752 118.762 120.570 -0.094 0.000 3.873 362 I HA 0.003 4.173 4.170 0.000 0.000 0.284 362 I C 1.400 177.487 176.117 -0.050 0.000 1.186 362 I CA 0.292 61.555 61.300 -0.062 0.000 1.362 362 I CB 0.167 38.129 38.000 -0.063 0.000 1.432 362 I HN -0.042 nan 8.210 nan 0.000 0.454 363 V N -0.658 119.210 119.914 -0.077 0.000 3.608 363 V HA 0.527 4.647 4.120 0.000 0.000 0.269 363 V C 0.901 177.025 176.094 0.051 0.000 1.245 363 V CA 0.198 62.444 62.300 -0.091 0.000 1.138 363 V CB -0.932 30.608 31.823 -0.471 0.000 0.841 363 V HN 0.498 nan 8.190 nan 0.000 0.451 364 G N 0.816 109.639 108.800 0.039 0.000 2.879 364 G HA2 -0.130 3.830 3.960 0.000 0.000 0.686 364 G HA3 -0.130 3.830 3.960 0.000 0.000 0.686 364 G C 0.462 175.441 174.900 0.131 0.000 1.115 364 G CA 0.465 45.609 45.100 0.073 0.000 0.770 364 G HN 1.182 nan 8.290 nan 0.000 0.601 365 S N 0.471 116.231 115.700 0.101 0.000 2.393 365 S HA -0.269 4.201 4.470 0.000 0.000 0.234 365 S C 1.876 176.586 174.600 0.184 0.000 1.064 365 S CA 2.569 60.856 58.200 0.145 0.000 1.088 365 S CB -0.304 62.950 63.200 0.089 0.000 0.939 365 S HN 0.985 nan 8.310 nan 0.000 0.448 366 E N 0.059 120.347 120.200 0.147 0.000 2.000 366 E HA -0.295 4.055 4.350 0.000 0.000 0.199 366 E C 2.042 178.752 176.600 0.184 0.000 1.011 366 E CA 1.649 58.130 56.400 0.135 0.000 0.836 366 E CB -0.678 29.085 29.700 0.105 0.000 0.778 366 E HN 0.880 nan 8.360 nan 0.000 0.462 367 H N -1.413 117.707 119.070 0.084 0.000 2.292 367 H HA -0.267 4.289 4.556 0.000 0.000 0.292 367 H C 2.252 177.625 175.328 0.074 0.000 1.100 367 H CA 2.062 58.154 56.048 0.073 0.000 1.238 367 H CB -0.255 29.552 29.762 0.075 0.000 1.355 367 H HN 0.321 nan 8.280 nan 0.000 0.484 368 Y N 1.577 121.971 120.300 0.156 0.000 2.128 368 Y HA -0.258 4.292 4.550 0.000 0.000 0.284 368 Y C 2.133 178.070 175.900 0.062 0.000 1.154 368 Y CA 2.015 60.142 58.100 0.045 0.000 1.149 368 Y CB -0.343 38.113 38.460 -0.007 0.000 0.976 368 Y HN 0.359 nan 8.280 nan 0.000 0.505 369 D N -0.643 119.796 120.400 0.066 0.000 2.117 369 D HA -0.171 4.469 4.640 0.000 0.000 0.198 369 D C 2.450 178.717 176.300 -0.054 0.000 0.982 369 D CA 1.661 55.645 54.000 -0.028 0.000 0.828 369 D CB -0.525 40.315 40.800 0.066 0.000 0.967 369 D HN 0.313 nan 8.370 nan 0.000 0.464 370 V N 1.921 121.844 119.914 0.015 0.000 2.255 370 V HA -0.295 3.825 4.120 0.000 0.000 0.247 370 V C 2.632 178.704 176.094 -0.037 0.000 1.051 370 V CA 2.032 64.344 62.300 0.020 0.000 1.018 370 V CB -0.985 30.871 31.823 0.056 0.000 0.641 370 V HN 0.184 nan 8.190 nan 0.000 0.445 371 A N 0.169 122.960 122.820 -0.048 0.000 1.859 371 A HA -0.267 4.053 4.320 0.000 0.000 0.217 371 A C 2.270 179.751 177.584 -0.171 0.000 1.198 371 A CA 2.039 54.013 52.037 -0.106 0.000 0.629 371 A CB -0.607 18.355 19.000 -0.062 0.000 0.830 371 A HN 0.429 nan 8.150 nan 0.000 0.446 372 R N -0.423 119.909 120.500 -0.281 0.000 2.249 372 R HA -0.107 4.233 4.340 0.000 0.000 0.230 372 R C 2.137 178.352 176.300 -0.142 0.000 1.121 372 R CA 1.101 57.036 56.100 -0.275 0.000 0.997 372 R CB -1.206 28.834 30.300 -0.433 0.000 0.867 372 R HN 0.599 nan 8.270 nan 0.000 0.465 373 G N 0.052 108.793 108.800 -0.099 0.000 2.417 373 G HA2 -0.126 3.834 3.960 0.000 0.000 0.212 373 G HA3 -0.126 3.834 3.960 0.000 0.000 0.212 373 G C 1.534 176.421 174.900 -0.022 0.000 1.187 373 G CA 0.325 45.401 45.100 -0.040 0.000 0.804 373 G HN 0.112 nan 8.290 nan 0.000 0.534 374 V N 0.993 120.890 119.914 -0.029 0.000 2.282 374 V HA -0.313 3.807 4.120 0.000 0.000 0.249 374 V C 2.936 179.012 176.094 -0.031 0.000 1.057 374 V CA 2.425 64.711 62.300 -0.022 0.000 1.032 374 V CB -0.733 31.014 31.823 -0.126 0.000 0.645 374 V HN 0.433 nan 8.190 nan 0.000 0.447 375 Q N -0.302 119.461 119.800 -0.062 0.000 2.050 375 Q HA -0.255 4.085 4.340 0.000 0.000 0.202 375 Q C 2.376 178.360 176.000 -0.026 0.000 0.980 375 Q CA 1.901 57.673 55.803 -0.052 0.000 0.840 375 Q CB -0.260 28.433 28.738 -0.077 0.000 0.898 375 Q HN 0.622 nan 8.270 nan 0.000 0.424 376 K N 0.580 120.963 120.400 -0.028 0.000 2.026 376 K HA -0.199 4.121 4.320 0.000 0.000 0.208 376 K C 2.007 178.616 176.600 0.014 0.000 1.048 376 K CA 1.076 57.356 56.287 -0.011 0.000 0.929 376 K CB -0.147 32.344 32.500 -0.015 0.000 0.713 376 K HN 0.057 nan 8.250 nan 0.000 0.439 377 I N 1.775 122.357 120.570 0.021 0.000 2.163 377 I HA -0.269 3.901 4.170 0.000 0.000 0.243 377 I C 1.874 178.042 176.117 0.085 0.000 1.085 377 I CA 1.391 62.718 61.300 0.044 0.000 1.347 377 I CB -0.304 37.717 38.000 0.034 0.000 1.044 377 I HN 0.263 nan 8.210 nan 0.000 0.408 378 L N -0.517 120.751 121.223 0.074 0.000 2.079 378 L HA -0.294 4.046 4.340 0.000 0.000 0.210 378 L C 2.527 179.446 176.870 0.082 0.000 1.081 378 L CA 1.528 56.431 54.840 0.106 0.000 0.752 378 L CB -0.660 41.433 42.059 0.057 0.000 0.896 378 L HN 0.398 nan 8.230 nan 0.000 0.433 379 Q N -0.418 119.405 119.800 0.039 0.000 2.016 379 Q HA -0.183 4.157 4.340 0.000 0.000 0.200 379 Q C 1.889 177.904 176.000 0.026 0.000 0.978 379 Q CA 1.450 57.261 55.803 0.014 0.000 0.833 379 Q CB -0.084 28.653 28.738 -0.001 0.000 0.895 379 Q HN 0.481 nan 8.270 nan 0.000 0.427 380 D N 0.228 120.658 120.400 0.050 0.000 2.092 380 D HA -0.203 4.437 4.640 0.000 0.000 0.193 380 D C 1.775 178.137 176.300 0.104 0.000 0.994 380 D CA 1.180 55.217 54.000 0.061 0.000 0.828 380 D CB -0.457 40.379 40.800 0.060 0.000 0.963 380 D HN 0.225 nan 8.370 nan 0.000 0.450 381 Y N 2.089 122.386 120.300 -0.004 0.000 2.193 381 Y HA -0.225 4.325 4.550 0.000 0.000 0.285 381 Y C 2.142 178.040 175.900 -0.003 0.000 1.166 381 Y CA 1.439 59.538 58.100 -0.002 0.000 1.181 381 Y CB -0.305 38.154 38.460 -0.000 0.000 0.976 381 Y HN -0.151 nan 8.280 nan 0.000 0.520 382 K N -0.367 119.944 120.400 -0.149 0.000 2.103 382 K HA -0.175 4.145 4.320 0.000 0.000 0.207 382 K C 2.226 178.733 176.600 -0.154 0.000 1.048 382 K CA 1.582 57.728 56.287 -0.235 0.000 0.930 382 K CB -0.131 32.292 32.500 -0.127 0.000 0.716 382 K HN 0.355 nan 8.250 nan 0.000 0.444 383 S N 1.393 117.052 115.700 -0.068 0.000 2.343 383 S HA -0.124 4.346 4.470 0.000 0.000 0.219 383 S C 1.892 176.471 174.600 -0.036 0.000 1.033 383 S CA 1.246 59.423 58.200 -0.039 0.000 1.014 383 S CB -0.353 62.842 63.200 -0.007 0.000 0.915 383 S HN 0.247 nan 8.310 nan 0.000 0.435 384 L N 1.592 122.813 121.223 -0.002 0.000 2.129 384 L HA -0.226 4.114 4.340 0.000 0.000 0.212 384 L C 2.766 179.631 176.870 -0.009 0.000 1.087 384 L CA 1.234 56.090 54.840 0.027 0.000 0.757 384 L CB -0.763 41.360 42.059 0.108 0.000 0.896 384 L HN 0.399 nan 8.230 nan 0.000 0.434 385 Q N 0.229 119.965 119.800 -0.106 0.000 2.118 385 Q HA -0.296 4.044 4.340 0.000 0.000 0.211 385 Q C 1.830 177.788 176.000 -0.070 0.000 0.998 385 Q CA 2.267 57.979 55.803 -0.152 0.000 0.872 385 Q CB -0.057 28.508 28.738 -0.289 0.000 0.925 385 Q HN 0.528 nan 8.270 nan 0.000 0.414 386 D N -0.286 120.079 120.400 -0.059 0.000 2.117 386 D HA -0.135 4.505 4.640 0.000 0.000 0.197 386 D C 1.798 178.089 176.300 -0.016 0.000 0.987 386 D CA 0.874 54.853 54.000 -0.035 0.000 0.829 386 D CB -0.153 40.627 40.800 -0.032 0.000 0.961 386 D HN 0.195 nan 8.370 nan 0.000 0.460 387 I N 1.092 121.658 120.570 -0.007 0.000 2.142 387 I HA -0.240 3.930 4.170 0.000 0.000 0.240 387 I C 2.180 178.304 176.117 0.012 0.000 1.078 387 I CA 0.586 61.889 61.300 0.005 0.000 1.343 387 I CB -0.308 37.699 38.000 0.012 0.000 1.046 387 I HN -0.023 nan 8.210 nan 0.000 0.405 388 I N 0.879 121.462 120.570 0.021 0.000 2.091 388 I HA -0.397 3.773 4.170 0.000 0.000 0.240 388 I C 2.680 178.810 176.117 0.021 0.000 1.046 388 I CA 2.147 63.466 61.300 0.032 0.000 1.306 388 I CB -2.007 36.027 38.000 0.057 0.000 1.018 388 I HN 0.264 nan 8.210 nan 0.000 0.404 389 A N 0.429 123.256 122.820 0.012 0.000 1.933 389 A HA -0.151 4.169 4.320 0.000 0.000 0.218 389 A C 2.204 179.791 177.584 0.005 0.000 1.175 389 A CA 1.479 53.520 52.037 0.007 0.000 0.628 389 A CB -0.407 18.592 19.000 -0.001 0.000 0.814 389 A HN 0.343 nan 8.150 nan 0.000 0.444 390 I N -0.307 120.265 120.570 0.004 0.000 2.405 390 I HA -0.035 4.135 4.170 0.000 0.000 0.236 390 I C 2.060 178.180 176.117 0.005 0.000 1.071 390 I CA 0.888 62.190 61.300 0.003 0.000 1.398 390 I CB -1.624 36.376 38.000 0.000 0.000 1.162 390 I HN 0.246 nan 8.210 nan 0.000 0.432 391 L N 1.004 122.231 121.223 0.006 0.000 2.627 391 L HA 0.319 4.659 4.340 0.000 0.000 0.233 391 L C 0.747 177.623 176.870 0.010 0.000 1.144 391 L CA 0.134 54.979 54.840 0.008 0.000 0.892 391 L CB -1.398 40.665 42.059 0.008 0.000 1.039 391 L HN 0.464 nan 8.230 nan 0.000 0.442 392 G N 0.603 109.410 108.800 0.012 0.000 2.977 392 G HA2 -0.280 3.680 3.960 0.000 0.000 0.686 392 G HA3 -0.280 3.680 3.960 0.000 0.000 0.686 392 G C 0.144 175.055 174.900 0.019 0.000 1.088 392 G CA -0.503 44.606 45.100 0.015 0.000 0.845 392 G HN 0.162 nan 8.290 nan 0.000 0.565 393 M N 0.924 120.539 119.600 0.024 0.000 2.899 393 M HA -0.072 4.408 4.480 0.000 0.000 0.197 393 M C 0.906 177.220 176.300 0.023 0.000 0.927 393 M CA 1.236 56.553 55.300 0.029 0.000 1.162 393 M CB -0.326 32.293 32.600 0.032 0.000 1.577 393 M HN 0.593 nan 8.290 nan 0.000 0.518 394 D N -1.032 119.379 120.400 0.019 0.000 2.489 394 D HA 0.002 4.642 4.640 0.000 0.000 0.231 394 D C 1.333 177.642 176.300 0.014 0.000 1.114 394 D CA 0.128 54.138 54.000 0.016 0.000 0.842 394 D CB 0.343 41.151 40.800 0.013 0.000 1.133 394 D HN 0.320 nan 8.370 nan 0.000 0.506 395 E N 0.902 121.110 120.200 0.014 0.000 2.516 395 E HA -0.010 4.340 4.350 0.000 0.000 0.199 395 E C 0.450 177.058 176.600 0.014 0.000 1.069 395 E CA 0.005 56.413 56.400 0.013 0.000 0.876 395 E CB 0.124 29.830 29.700 0.011 0.000 0.843 395 E HN 0.364 nan 8.360 nan 0.000 0.530 396 L N 2.375 123.609 121.223 0.017 0.000 2.601 396 L HA -0.057 4.283 4.340 0.000 0.000 0.277 396 L C 1.043 177.921 176.870 0.014 0.000 1.219 396 L CA -0.013 54.838 54.840 0.019 0.000 0.915 396 L CB 0.007 42.079 42.059 0.023 0.000 1.160 396 L HN 0.007 nan 8.230 nan 0.000 0.494 397 S N 1.605 117.313 115.700 0.014 0.000 2.645 397 S HA 0.132 4.602 4.470 0.000 0.000 0.266 397 S C 0.849 175.455 174.600 0.009 0.000 1.258 397 S CA -0.803 57.403 58.200 0.010 0.000 0.990 397 S CB 1.203 64.409 63.200 0.010 0.000 0.967 397 S HN 0.666 nan 8.310 nan 0.000 0.556 398 E N 0.443 120.647 120.200 0.007 0.000 2.209 398 E HA -0.181 4.169 4.350 0.000 0.000 0.196 398 E C 1.755 178.358 176.600 0.004 0.000 0.993 398 E CA 1.374 57.777 56.400 0.005 0.000 0.819 398 E CB -0.062 29.641 29.700 0.005 0.000 0.745 398 E HN 0.712 nan 8.360 nan 0.000 0.477 399 E N 0.423 120.626 120.200 0.006 0.000 2.057 399 E HA -0.110 4.240 4.350 0.000 0.000 0.190 399 E C 1.608 178.212 176.600 0.007 0.000 0.969 399 E CA 0.501 56.905 56.400 0.005 0.000 0.812 399 E CB 0.126 29.830 29.700 0.007 0.000 0.777 399 E HN 0.122 nan 8.360 nan 0.000 0.455 400 D N 0.946 121.353 120.400 0.012 0.000 2.218 400 D HA -0.117 4.523 4.640 0.000 0.000 0.204 400 D C 1.497 177.806 176.300 0.015 0.000 0.976 400 D CA 1.015 55.026 54.000 0.019 0.000 0.853 400 D CB 0.055 40.870 40.800 0.025 0.000 0.939 400 D HN 0.108 nan 8.370 nan 0.000 0.481 401 K N -0.354 120.050 120.400 0.007 0.000 2.305 401 K HA 0.003 4.323 4.320 0.000 0.000 0.199 401 K C 1.733 178.322 176.600 -0.018 0.000 1.047 401 K CA 0.140 56.426 56.287 -0.002 0.000 0.976 401 K CB 0.371 32.872 32.500 0.002 0.000 0.765 401 K HN 0.048 nan 8.250 nan 0.000 0.474 402 L N 1.039 122.253 121.223 -0.016 0.000 2.162 402 L HA -0.093 4.247 4.340 0.000 0.000 0.205 402 L C 2.601 179.445 176.870 -0.042 0.000 1.086 402 L CA 1.633 56.458 54.840 -0.026 0.000 0.778 402 L CB -0.672 41.378 42.059 -0.015 0.000 0.928 402 L HN 0.268 nan 8.230 nan 0.000 0.446 403 T N -3.792 110.745 114.554 -0.028 0.000 2.759 403 T HA -0.163 4.187 4.350 0.000 0.000 0.269 403 T C 1.823 176.472 174.700 -0.086 0.000 1.042 403 T CA 1.613 63.697 62.100 -0.028 0.000 1.140 403 T CB -0.883 67.992 68.868 0.013 0.000 0.864 403 T HN 0.065 nan 8.240 nan 0.000 0.455 404 V N 2.770 122.621 119.914 -0.105 0.000 2.229 404 V HA -0.176 3.944 4.120 0.000 0.000 0.243 404 V C 3.223 179.121 176.094 -0.326 0.000 1.042 404 V CA 2.098 64.239 62.300 -0.265 0.000 1.000 404 V CB -1.388 30.355 31.823 -0.134 0.000 0.637 404 V HN 0.789 nan 8.190 nan 0.000 0.446 405 S N 1.421 117.016 115.700 -0.176 0.000 2.380 405 S HA -0.364 4.106 4.470 0.000 0.000 0.229 405 S C 2.054 176.555 174.600 -0.164 0.000 1.050 405 S CA 2.260 60.378 58.200 -0.136 0.000 1.100 405 S CB -0.715 62.443 63.200 -0.069 0.000 0.984 405 S HN 0.588 nan 8.310 nan 0.000 0.434 406 R N 1.963 122.376 120.500 -0.144 0.000 2.082 406 R HA -0.002 4.338 4.340 0.000 0.000 0.234 406 R C 2.936 179.132 176.300 -0.173 0.000 1.136 406 R CA 1.401 57.412 56.100 -0.147 0.000 0.935 406 R CB -1.208 29.038 30.300 -0.090 0.000 0.842 406 R HN 0.592 nan 8.270 nan 0.000 0.430 407 A N 1.936 124.645 122.820 -0.185 0.000 1.903 407 A HA -0.246 4.074 4.320 0.000 0.000 0.219 407 A C 2.163 179.621 177.584 -0.209 0.000 1.191 407 A CA 1.805 53.733 52.037 -0.181 0.000 0.638 407 A CB -0.583 18.251 19.000 -0.276 0.000 0.823 407 A HN 0.296 nan 8.150 nan 0.000 0.451 408 R N -0.348 119.942 120.500 -0.349 0.000 2.120 408 R HA -0.123 4.217 4.340 0.000 0.000 0.234 408 R C 2.099 178.329 176.300 -0.117 0.000 1.123 408 R CA 1.542 57.508 56.100 -0.223 0.000 0.975 408 R CB -0.361 29.807 30.300 -0.219 0.000 0.866 408 R HN 0.570 nan 8.270 nan 0.000 0.446 409 K N 0.644 120.918 120.400 -0.210 0.000 2.062 409 K HA -0.012 4.308 4.320 0.000 0.000 0.205 409 K C 2.174 178.573 176.600 -0.335 0.000 1.051 409 K CA 0.955 56.992 56.287 -0.418 0.000 0.941 409 K CB -0.110 31.902 32.500 -0.813 0.000 0.719 409 K HN 0.082 nan 8.250 nan 0.000 0.440 410 I N 1.441 121.913 120.570 -0.163 0.000 2.099 410 I HA -0.353 3.817 4.170 0.000 0.000 0.239 410 I C 2.715 178.958 176.117 0.210 0.000 1.066 410 I CA 1.440 62.797 61.300 0.096 0.000 1.324 410 I CB -0.264 37.825 38.000 0.148 0.000 1.037 410 I HN 0.242 nan 8.210 nan 0.000 0.401 411 Q N 0.480 120.357 119.800 0.128 0.000 2.173 411 Q HA -0.255 4.085 4.340 0.000 0.000 0.208 411 Q C 2.348 178.457 176.000 0.181 0.000 0.989 411 Q CA 1.791 57.684 55.803 0.150 0.000 0.872 411 Q CB 0.042 28.864 28.738 0.140 0.000 0.909 411 Q HN 0.459 nan 8.270 nan 0.000 0.420 412 R N -1.043 119.569 120.500 0.187 0.000 2.062 412 R HA -0.073 4.267 4.340 0.000 0.000 0.226 412 R C 2.112 178.595 176.300 0.304 0.000 1.125 412 R CA 0.939 57.204 56.100 0.274 0.000 0.966 412 R CB -0.505 29.984 30.300 0.314 0.000 0.861 412 R HN 0.208 nan 8.270 nan 0.000 0.433 413 F N 2.069 122.052 119.950 0.055 0.000 2.287 413 F HA -0.095 4.432 4.527 0.000 0.000 0.301 413 F C 1.679 177.597 175.800 0.196 0.000 1.069 413 F CA 1.064 59.050 58.000 -0.023 0.000 1.372 413 F CB -0.169 38.553 39.000 -0.463 0.000 1.056 413 F HN -0.074 nan 8.300 nan 0.000 0.523 414 L N -0.450 120.948 121.223 0.292 0.000 2.552 414 L HA -0.011 4.329 4.340 0.000 0.000 0.227 414 L C 1.381 178.298 176.870 0.078 0.000 1.146 414 L CA 0.369 55.336 54.840 0.211 0.000 0.858 414 L CB -0.644 41.508 42.059 0.156 0.000 0.969 414 L HN 0.140 nan 8.230 nan 0.000 0.451 415 S N -0.665 115.082 115.700 0.078 0.000 2.669 415 S HA 0.511 4.981 4.470 0.000 0.000 0.270 415 S C -0.412 174.165 174.600 -0.039 0.000 1.225 415 S CA -0.515 57.695 58.200 0.017 0.000 0.991 415 S CB 2.212 65.427 63.200 0.025 0.000 0.987 415 S HN 0.242 nan 8.310 nan 0.000 0.552 416 Q N -0.045 119.703 119.800 -0.088 0.000 2.617 416 Q HA 0.360 4.700 4.340 0.000 0.000 0.270 416 Q C -3.261 172.685 176.000 -0.091 0.000 0.967 416 Q CA -1.636 54.138 55.803 -0.050 0.000 0.887 416 Q CB 2.142 30.922 28.738 0.069 0.000 1.516 416 Q HN 0.547 nan 8.270 nan 0.000 0.395 417 P HA 0.297 nan 4.420 nan 0.000 0.287 417 P C -1.081 176.357 177.300 0.230 0.000 1.294 417 P CA -0.151 62.952 63.100 0.005 0.000 0.776 417 P CB 0.183 31.892 31.700 0.014 0.000 0.889 418 F N 2.064 122.009 119.950 -0.009 0.000 2.394 418 F HA 0.266 4.793 4.527 0.000 0.000 0.340 418 F C 2.015 177.816 175.800 0.001 0.000 1.105 418 F CA -0.816 57.186 58.000 0.003 0.000 1.124 418 F CB 0.895 39.906 39.000 0.018 0.000 1.145 418 F HN 0.352 nan 8.300 nan 0.000 0.505 419 Q N 1.494 121.390 119.800 0.161 0.000 2.170 419 Q HA -0.098 4.242 4.340 0.000 0.000 0.203 419 Q C 2.002 178.049 176.000 0.078 0.000 0.976 419 Q CA 1.160 57.010 55.803 0.077 0.000 0.858 419 Q CB -0.170 28.581 28.738 0.021 0.000 0.907 419 Q HN 0.546 nan 8.270 nan 0.000 0.433 420 V N 0.796 120.776 119.914 0.110 0.000 2.469 420 V HA -0.212 3.908 4.120 0.000 0.000 0.251 420 V C 1.461 177.616 176.094 0.101 0.000 1.064 420 V CA 1.566 63.925 62.300 0.098 0.000 1.066 420 V CB -0.607 31.284 31.823 0.113 0.000 0.667 420 V HN 0.346 nan 8.190 nan 0.000 0.461 421 A N -0.755 122.146 122.820 0.135 0.000 3.163 421 A HA 0.295 4.615 4.320 0.000 0.000 0.283 421 A C 1.413 179.029 177.584 0.053 0.000 1.412 421 A CA -0.118 51.968 52.037 0.082 0.000 1.053 421 A CB -0.337 18.693 19.000 0.051 0.000 1.082 421 A HN 0.564 nan 8.150 nan 0.000 0.639 422 E N -0.884 119.331 120.200 0.026 0.000 2.244 422 E HA -0.026 4.324 4.350 0.000 0.000 0.196 422 E C 1.631 178.169 176.600 -0.103 0.000 0.939 422 E CA 0.539 56.930 56.400 -0.015 0.000 0.884 422 E CB 0.105 29.790 29.700 -0.025 0.000 0.850 422 E HN 0.374 nan 8.360 nan 0.000 0.481 423 V N 0.705 120.547 119.914 -0.120 0.000 2.353 423 V HA -0.264 3.856 4.120 0.000 0.000 0.260 423 V C 0.692 176.398 176.094 -0.647 0.000 1.091 423 V CA 1.743 63.877 62.300 -0.278 0.000 1.088 423 V CB -0.411 31.375 31.823 -0.061 0.000 0.672 423 V HN 0.244 nan 8.190 nan 0.000 0.455 424 F N -1.917 118.041 119.950 0.013 0.000 2.632 424 F HA 0.344 4.872 4.527 0.000 0.000 0.378 424 F C 0.560 176.373 175.800 0.021 0.000 1.478 424 F CA -0.081 57.926 58.000 0.013 0.000 1.089 424 F CB 0.910 39.912 39.000 0.003 0.000 1.917 424 F HN -0.246 nan 8.300 nan 0.000 0.538 425 T N -1.266 113.364 114.554 0.127 0.000 3.009 425 T HA 0.235 4.585 4.350 0.000 0.000 0.267 425 T C 1.563 176.433 174.700 0.282 0.000 0.942 425 T CA 0.578 62.770 62.100 0.153 0.000 0.883 425 T CB 0.584 69.501 68.868 0.081 0.000 1.192 425 T HN 0.568 nan 8.240 nan 0.000 0.524 426 G N 2.166 111.027 108.800 0.100 0.000 2.269 426 G HA2 -0.251 3.709 3.960 0.000 0.000 0.277 426 G HA3 -0.251 3.709 3.960 0.000 0.000 0.277 426 G C -0.253 174.528 174.900 -0.199 0.000 1.008 426 G CA 0.700 45.777 45.100 -0.038 0.000 0.774 426 G HN 0.635 nan 8.290 nan 0.000 0.511 427 H N -1.909 117.141 119.070 -0.032 0.000 2.600 427 H HA 0.600 5.156 4.556 0.000 0.000 0.357 427 H C -0.019 175.294 175.328 -0.026 0.000 1.106 427 H CA -1.019 55.013 56.048 -0.027 0.000 1.193 427 H CB 1.536 31.283 29.762 -0.025 0.000 1.594 427 H HN 0.171 nan 8.280 nan 0.000 0.526 428 L N 2.053 123.316 121.223 0.067 0.000 2.456 428 L HA 0.331 4.671 4.340 0.000 0.000 0.272 428 L C 1.021 177.927 176.870 0.061 0.000 1.189 428 L CA 0.491 55.353 54.840 0.036 0.000 0.846 428 L CB 0.427 42.492 42.059 0.010 0.000 1.111 428 L HN 0.871 nan 8.230 nan 0.000 0.475 429 G N 3.439 112.271 108.800 0.054 0.000 2.599 429 G HA2 0.377 4.337 3.960 0.000 0.000 0.264 429 G HA3 0.377 4.337 3.960 0.000 0.000 0.264 429 G C -0.756 174.179 174.900 0.059 0.000 1.200 429 G CA -0.519 44.627 45.100 0.077 0.000 0.896 429 G HN 0.481 nan 8.290 nan 0.000 0.536 430 K N 0.250 120.696 120.400 0.077 0.000 2.507 430 K HA 0.266 4.586 4.320 0.000 0.000 0.251 430 K C -1.348 175.273 176.600 0.036 0.000 0.943 430 K CA -0.862 55.456 56.287 0.051 0.000 0.794 430 K CB 2.160 34.693 32.500 0.056 0.000 1.188 430 K HN 0.324 nan 8.250 nan 0.000 0.428 431 L N 3.868 125.092 121.223 0.002 0.000 2.719 431 L HA 0.262 4.602 4.340 0.000 0.000 0.236 431 L C -0.887 175.971 176.870 -0.021 0.000 1.221 431 L CA -0.659 54.165 54.840 -0.028 0.000 1.048 431 L CB 0.505 42.531 42.059 -0.055 0.000 1.364 431 L HN 0.268 nan 8.230 nan 0.000 0.447 432 V N 4.142 124.053 119.914 -0.006 0.000 2.644 432 V HA 0.133 4.253 4.120 0.000 0.000 0.305 432 V C -1.710 174.377 176.094 -0.011 0.000 1.053 432 V CA -0.529 61.772 62.300 0.000 0.000 1.186 432 V CB -0.084 31.740 31.823 0.002 0.000 0.895 432 V HN 0.604 nan 8.190 nan 0.000 0.490 433 P HA 0.224 nan 4.420 nan 0.000 0.288 433 P C 0.578 177.877 177.300 -0.001 0.000 1.267 433 P CA -0.672 62.424 63.100 -0.007 0.000 0.815 433 P CB 1.137 32.835 31.700 -0.003 0.000 0.989 434 L N 3.498 124.715 121.223 -0.009 0.000 2.064 434 L HA -0.249 4.091 4.340 0.000 0.000 0.216 434 L C 2.045 178.897 176.870 -0.030 0.000 1.077 434 L CA 2.132 56.956 54.840 -0.027 0.000 0.766 434 L CB -0.959 41.094 42.059 -0.009 0.000 0.890 434 L HN 0.345 nan 8.230 nan 0.000 0.435 435 K N -1.017 119.382 120.400 -0.001 0.000 2.026 435 K HA -0.165 4.155 4.320 0.000 0.000 0.208 435 K C 1.983 178.605 176.600 0.037 0.000 1.048 435 K CA 1.487 57.782 56.287 0.014 0.000 0.929 435 K CB -0.117 32.396 32.500 0.022 0.000 0.713 435 K HN 0.329 nan 8.250 nan 0.000 0.439 436 E N 0.072 120.299 120.200 0.046 0.000 2.150 436 E HA -0.106 4.244 4.350 0.000 0.000 0.193 436 E C 2.029 178.706 176.600 0.129 0.000 0.985 436 E CA 1.119 57.568 56.400 0.081 0.000 0.814 436 E CB -0.326 29.416 29.700 0.070 0.000 0.752 436 E HN 0.253 nan 8.360 nan 0.000 0.466 437 T N 2.079 116.690 114.554 0.095 0.000 2.701 437 T HA -0.080 4.270 4.350 0.000 0.000 0.263 437 T C 1.957 176.791 174.700 0.222 0.000 1.040 437 T CA 1.045 63.229 62.100 0.140 0.000 1.147 437 T CB -0.068 68.816 68.868 0.026 0.000 0.865 437 T HN 0.096 nan 8.240 nan 0.000 0.426 438 I N 1.127 121.741 120.570 0.074 0.000 2.252 438 I HA -0.106 4.064 4.170 0.000 0.000 0.245 438 I C 2.239 178.451 176.117 0.158 0.000 1.102 438 I CA 1.430 62.770 61.300 0.067 0.000 1.385 438 I CB -1.044 36.930 38.000 -0.043 0.000 1.064 438 I HN 0.273 nan 8.210 nan 0.000 0.414 439 K N 1.436 121.919 120.400 0.139 0.000 2.009 439 K HA -0.118 4.202 4.320 0.000 0.000 0.210 439 K C 2.304 179.016 176.600 0.188 0.000 1.049 439 K CA 1.649 58.020 56.287 0.140 0.000 0.929 439 K CB -0.723 31.844 32.500 0.112 0.000 0.714 439 K HN 0.429 nan 8.250 nan 0.000 0.440 440 G N 1.058 110.008 108.800 0.249 0.000 2.586 440 G HA2 -0.278 3.682 3.960 0.000 0.000 0.218 440 G HA3 -0.278 3.682 3.960 0.000 0.000 0.218 440 G C 1.317 176.319 174.900 0.170 0.000 1.216 440 G CA 1.268 46.527 45.100 0.264 0.000 0.786 440 G HN 0.181 nan 8.290 nan 0.000 0.583 441 F N 0.903 121.070 119.950 0.361 0.000 2.171 441 F HA -0.052 4.475 4.527 0.000 0.000 0.300 441 F C 2.908 178.777 175.800 0.115 0.000 1.090 441 F CA 1.597 59.732 58.000 0.225 0.000 1.293 441 F CB -0.475 38.612 39.000 0.145 0.000 1.013 441 F HN 0.218 nan 8.300 nan 0.000 0.486 442 Q N 0.434 120.387 119.800 0.255 0.000 2.045 442 Q HA -0.308 4.032 4.340 0.000 0.000 0.206 442 Q C 2.159 178.217 176.000 0.096 0.000 0.991 442 Q CA 2.309 58.200 55.803 0.147 0.000 0.851 442 Q CB -0.172 28.637 28.738 0.118 0.000 0.911 442 Q HN 0.489 nan 8.270 nan 0.000 0.418 443 Q N -0.320 119.539 119.800 0.098 0.000 2.046 443 Q HA -0.154 4.186 4.340 0.000 0.000 0.200 443 Q C 2.153 178.163 176.000 0.017 0.000 0.975 443 Q CA 1.507 57.334 55.803 0.039 0.000 0.836 443 Q CB -0.068 28.741 28.738 0.118 0.000 0.896 443 Q HN 0.455 nan 8.270 nan 0.000 0.428 444 I N 0.857 121.469 120.570 0.069 0.000 2.163 444 I HA -0.284 3.886 4.170 0.000 0.000 0.243 444 I C 2.298 178.410 176.117 -0.007 0.000 1.085 444 I CA 1.515 62.816 61.300 0.001 0.000 1.347 444 I CB -1.328 36.588 38.000 -0.140 0.000 1.044 444 I HN 0.282 nan 8.210 nan 0.000 0.408 445 L N 0.887 122.133 121.223 0.037 0.000 2.012 445 L HA -0.212 4.128 4.340 0.000 0.000 0.210 445 L C 2.935 179.808 176.870 0.006 0.000 1.073 445 L CA 1.564 56.424 54.840 0.034 0.000 0.748 445 L CB -0.850 41.248 42.059 0.064 0.000 0.891 445 L HN 0.220 nan 8.230 nan 0.000 0.431 446 A N -0.347 122.473 122.820 0.001 0.000 1.917 446 A HA -0.143 4.177 4.320 0.000 0.000 0.219 446 A C 1.902 179.459 177.584 -0.045 0.000 1.182 446 A CA 2.133 54.156 52.037 -0.023 0.000 0.633 446 A CB -0.861 18.116 19.000 -0.038 0.000 0.819 446 A HN 0.670 nan 8.150 nan 0.000 0.448 447 G N -2.012 106.748 108.800 -0.065 0.000 2.154 447 G HA2 -0.192 3.768 3.960 0.000 0.000 0.186 447 G HA3 -0.192 3.768 3.960 0.000 0.000 0.186 447 G C 0.471 175.297 174.900 -0.123 0.000 1.000 447 G CA 0.698 45.757 45.100 -0.067 0.000 0.664 447 G HN 0.525 nan 8.290 nan 0.000 0.513 448 E N -0.789 119.257 120.200 -0.256 0.000 2.118 448 E HA -0.104 4.246 4.350 0.000 0.000 0.195 448 E C 1.052 177.295 176.600 -0.596 0.000 0.992 448 E CA 1.437 57.541 56.400 -0.493 0.000 0.804 448 E CB -0.113 29.118 29.700 -0.782 0.000 0.741 448 E HN 0.741 nan 8.360 nan 0.000 0.458 449 Y N 0.174 120.422 120.300 -0.087 0.000 2.658 449 Y HA 0.135 4.685 4.550 0.000 0.000 0.276 449 Y C 1.103 176.854 175.900 -0.248 0.000 1.167 449 Y CA -0.479 57.472 58.100 -0.248 0.000 1.230 449 Y CB 0.233 38.646 38.460 -0.077 0.000 1.144 449 Y HN -0.100 nan 8.280 nan 0.000 0.529 450 D N 0.503 120.873 120.400 -0.049 0.000 2.190 450 D HA -0.213 4.427 4.640 0.000 0.000 0.200 450 D C 2.111 178.421 176.300 0.016 0.000 0.992 450 D CA 1.655 55.656 54.000 0.001 0.000 0.854 450 D CB -0.056 40.756 40.800 0.021 0.000 0.936 450 D HN 0.623 nan 8.370 nan 0.000 0.462 451 H N -0.307 118.809 119.070 0.076 0.000 2.423 451 H HA 0.007 4.563 4.556 0.000 0.000 0.297 451 H C 1.367 176.741 175.328 0.076 0.000 1.075 451 H CA 0.114 56.197 56.048 0.059 0.000 1.342 451 H CB -0.655 29.128 29.762 0.035 0.000 1.395 451 H HN 0.129 nan 8.280 nan 0.000 0.530 452 L N 2.853 123.879 121.223 -0.329 0.000 2.492 452 L HA 0.059 4.399 4.340 0.000 0.000 0.280 452 L C -1.970 174.912 176.870 0.019 0.000 1.240 452 L CA -1.122 53.629 54.840 -0.149 0.000 0.831 452 L CB 0.381 42.309 42.059 -0.218 0.000 1.100 452 L HN 0.233 nan 8.230 nan 0.000 0.505 453 P HA 0.263 nan 4.420 nan 0.000 0.290 453 P C -0.177 177.187 177.300 0.106 0.000 1.283 453 P CA -0.719 62.403 63.100 0.037 0.000 0.869 453 P CB 1.232 32.926 31.700 -0.011 0.000 1.100 454 E N 0.466 120.769 120.200 0.172 0.000 2.037 454 E HA -0.285 4.065 4.350 0.000 0.000 0.214 454 E C 1.741 178.486 176.600 0.241 0.000 1.041 454 E CA 1.464 58.017 56.400 0.254 0.000 0.872 454 E CB -0.425 29.344 29.700 0.115 0.000 0.785 454 E HN 0.488 nan 8.360 nan 0.000 0.476 455 Q N -0.338 119.520 119.800 0.097 0.000 2.404 455 Q HA -0.232 4.108 4.340 0.000 0.000 0.214 455 Q C 2.002 178.023 176.000 0.034 0.000 0.992 455 Q CA 1.245 57.093 55.803 0.074 0.000 0.899 455 Q CB -0.298 28.454 28.738 0.024 0.000 0.921 455 Q HN 0.344 nan 8.270 nan 0.000 0.453 456 A N -0.467 122.276 122.820 -0.129 0.000 1.933 456 A HA -0.136 4.184 4.320 0.000 0.000 0.218 456 A C 1.563 178.910 177.584 -0.396 0.000 1.175 456 A CA 1.106 52.918 52.037 -0.375 0.000 0.628 456 A CB -0.603 17.965 19.000 -0.719 0.000 0.814 456 A HN 0.338 nan 8.150 nan 0.000 0.444 457 F N -2.535 117.404 119.950 -0.018 0.000 2.743 457 F HA 0.165 4.692 4.527 0.000 0.000 0.297 457 F C 0.853 176.738 175.800 0.141 0.000 1.131 457 F CA -0.381 57.627 58.000 0.012 0.000 1.426 457 F CB -0.512 38.476 39.000 -0.019 0.000 1.116 457 F HN 0.252 nan 8.300 nan 0.000 0.583 458 Y N 2.448 122.850 120.300 0.171 0.000 2.544 458 Y HA 0.157 4.707 4.550 0.000 0.000 0.330 458 Y C 0.705 176.652 175.900 0.078 0.000 1.136 458 Y CA -1.157 57.015 58.100 0.120 0.000 1.417 458 Y CB 0.094 38.600 38.460 0.076 0.000 1.229 458 Y HN 0.048 nan 8.280 nan 0.000 0.532 459 M N 6.029 125.332 119.600 -0.495 0.000 2.573 459 M HA -0.169 4.311 4.480 0.000 0.000 0.184 459 M C -1.037 175.180 176.300 -0.139 0.000 0.953 459 M CA 1.076 56.113 55.300 -0.439 0.000 0.592 459 M CB -2.693 29.477 32.600 -0.717 0.000 1.151 459 M HN 0.476 nan 8.290 nan 0.000 0.850 460 V N -2.424 117.481 119.914 -0.015 0.000 3.105 460 V HA 1.099 5.219 4.120 0.000 0.000 0.311 460 V C 0.568 176.710 176.094 0.079 0.000 1.287 460 V CA -0.030 62.298 62.300 0.046 0.000 1.066 460 V CB 1.667 33.533 31.823 0.071 0.000 1.105 460 V HN 0.457 nan 8.190 nan 0.000 0.462 461 G N -0.149 108.705 108.800 0.091 0.000 2.766 461 G HA2 0.542 4.502 3.960 0.000 0.000 0.206 461 G HA3 0.542 4.502 3.960 0.000 0.000 0.206 461 G C -2.573 172.426 174.900 0.166 0.000 2.072 461 G CA -0.405 44.748 45.100 0.088 0.000 0.798 461 G HN 0.685 nan 8.290 nan 0.000 0.703 462 P HA 0.294 nan 4.420 nan 0.000 0.282 462 P C 0.768 178.161 177.300 0.154 0.000 1.249 462 P CA -0.747 62.465 63.100 0.187 0.000 0.806 462 P CB 1.806 33.562 31.700 0.094 0.000 0.984 463 I N 2.121 122.764 120.570 0.121 0.000 2.227 463 I HA -0.372 3.798 4.170 0.000 0.000 0.250 463 I C 1.637 177.596 176.117 -0.263 0.000 1.087 463 I CA 2.017 63.149 61.300 -0.281 0.000 1.352 463 I CB -0.339 37.439 38.000 -0.371 0.000 1.043 463 I HN 0.377 nan 8.210 nan 0.000 0.425 464 E N 0.520 120.653 120.200 -0.111 0.000 2.147 464 E HA -0.269 4.081 4.350 0.000 0.000 0.199 464 E C 2.054 178.587 176.600 -0.112 0.000 1.005 464 E CA 1.894 58.239 56.400 -0.091 0.000 0.810 464 E CB -0.306 29.377 29.700 -0.029 0.000 0.736 464 E HN 0.657 nan 8.360 nan 0.000 0.460 465 E N -0.004 120.144 120.200 -0.087 0.000 2.208 465 E HA -0.062 4.288 4.350 0.000 0.000 0.193 465 E C 2.017 178.520 176.600 -0.161 0.000 0.988 465 E CA 0.695 57.047 56.400 -0.081 0.000 0.828 465 E CB -0.083 29.606 29.700 -0.018 0.000 0.763 465 E HN 0.289 nan 8.360 nan 0.000 0.478 466 A N 1.321 123.980 122.820 -0.268 0.000 1.930 466 A HA -0.120 4.200 4.320 0.000 0.000 0.217 466 A C 2.506 179.784 177.584 -0.509 0.000 1.175 466 A CA 1.067 52.813 52.037 -0.486 0.000 0.627 466 A CB -0.483 18.099 19.000 -0.698 0.000 0.815 466 A HN 0.119 nan 8.150 nan 0.000 0.443 467 V N -0.356 119.325 119.914 -0.388 0.000 2.323 467 V HA -0.149 3.971 4.120 0.000 0.000 0.244 467 V C 2.968 178.965 176.094 -0.163 0.000 1.041 467 V CA 1.732 63.877 62.300 -0.259 0.000 1.025 467 V CB -1.516 30.207 31.823 -0.166 0.000 0.656 467 V HN 0.543 nan 8.190 nan 0.000 0.451 468 A N -0.137 122.604 122.820 -0.132 0.000 1.902 468 A HA -0.235 4.085 4.320 0.000 0.000 0.217 468 A C 2.372 179.901 177.584 -0.091 0.000 1.181 468 A CA 2.085 54.070 52.037 -0.086 0.000 0.623 468 A CB -0.547 18.416 19.000 -0.062 0.000 0.818 468 A HN 0.482 nan 8.150 nan 0.000 0.443 469 K N -0.339 119.988 120.400 -0.122 0.000 2.152 469 K HA -0.135 4.185 4.320 0.000 0.000 0.206 469 K C 2.117 178.645 176.600 -0.119 0.000 1.048 469 K CA 1.152 57.373 56.287 -0.110 0.000 0.933 469 K CB -0.279 32.144 32.500 -0.128 0.000 0.721 469 K HN 0.420 nan 8.250 nan 0.000 0.447 470 A N 1.344 124.063 122.820 -0.168 0.000 1.930 470 A HA -0.178 4.142 4.320 0.000 0.000 0.217 470 A C 1.568 179.108 177.584 -0.074 0.000 1.175 470 A CA 1.863 53.814 52.037 -0.143 0.000 0.627 470 A CB -0.440 18.454 19.000 -0.177 0.000 0.815 470 A HN 0.314 nan 8.150 nan 0.000 0.443 471 D N 0.125 120.487 120.400 -0.064 0.000 2.088 471 D HA -0.140 4.500 4.640 0.000 0.000 0.191 471 D C 1.785 178.067 176.300 -0.031 0.000 0.992 471 D CA 1.629 55.607 54.000 -0.037 0.000 0.831 471 D CB -0.333 40.447 40.800 -0.033 0.000 0.973 471 D HN 0.446 nan 8.370 nan 0.000 0.447 472 K N -0.043 120.337 120.400 -0.033 0.000 2.442 472 K HA -0.022 4.298 4.320 0.000 0.000 0.199 472 K C 1.101 177.689 176.600 -0.020 0.000 1.044 472 K CA 0.467 56.740 56.287 -0.022 0.000 0.941 472 K CB 0.089 32.577 32.500 -0.019 0.000 0.759 472 K HN 0.203 nan 8.250 nan 0.000 0.472 473 L N 0.272 121.477 121.223 -0.029 0.000 2.872 473 L HA 0.297 4.637 4.340 0.000 0.000 0.245 473 L C 0.197 177.056 176.870 -0.019 0.000 1.211 473 L CA -0.386 54.440 54.840 -0.024 0.000 1.013 473 L CB -0.937 41.101 42.059 -0.035 0.000 1.326 473 L HN 0.182 nan 8.230 nan 0.000 0.525 474 A N 0.000 122.810 122.820 -0.016 0.000 2.254 474 A HA 0.000 4.320 4.320 0.000 0.000 0.244 474 A CA 0.000 52.031 52.037 -0.010 0.000 0.836 474 A CB 0.000 18.996 19.000 -0.006 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486