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 1w0j_1_D 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 KADKLAE 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 62.196 62.100 0.160 0.000 1.349 9 T CB 0.000 68.966 68.868 0.164 0.000 0.612 10 T N 1.754 116.420 114.554 0.187 0.000 2.779 10 T HA 0.749 5.099 4.350 0.000 0.000 0.280 10 T C 0.558 175.150 174.700 -0.180 0.000 0.987 10 T CA -0.178 61.957 62.100 0.058 0.000 0.966 10 T CB 1.189 70.056 68.868 -0.002 0.000 0.933 10 T HN 1.045 nan 8.240 nan 0.000 0.442 11 G N 2.482 110.911 108.800 -0.619 0.000 2.597 11 G HA2 0.753 4.713 3.960 0.000 0.000 0.317 11 G HA3 0.753 4.713 3.960 0.000 0.000 0.317 11 G C -1.096 173.472 174.900 -0.553 0.000 1.230 11 G CA -0.804 43.602 45.100 -1.157 0.000 0.996 11 G HN 0.568 nan 8.290 nan 0.000 0.490 12 R N -0.759 119.473 120.500 -0.448 0.000 2.621 12 R HA 0.415 4.755 4.340 0.000 0.000 0.292 12 R C -0.342 175.845 176.300 -0.187 0.000 0.969 12 R CA -0.673 55.284 56.100 -0.240 0.000 0.887 12 R CB 2.310 32.511 30.300 -0.165 0.000 1.180 12 R HN 0.412 nan 8.270 nan 0.000 0.450 13 I N 3.666 124.162 120.570 -0.124 0.000 2.598 13 I HA -0.065 4.105 4.170 0.000 0.000 0.284 13 I C 1.389 177.469 176.117 -0.062 0.000 1.140 13 I CA 0.177 61.429 61.300 -0.079 0.000 1.420 13 I CB 0.896 38.864 38.000 -0.053 0.000 1.387 13 I HN 0.570 nan 8.210 nan 0.000 0.553 14 V N 3.244 123.129 119.914 -0.049 0.000 3.379 14 V HA 0.542 4.662 4.120 0.000 0.000 0.249 14 V C 0.638 176.719 176.094 -0.022 0.000 1.184 14 V CA 0.395 62.674 62.300 -0.035 0.000 1.106 14 V CB 0.128 31.932 31.823 -0.033 0.000 0.826 14 V HN 0.694 nan 8.190 nan 0.000 0.465 15 A N -0.087 122.723 122.820 -0.016 0.000 2.520 15 A HA 0.819 5.139 4.320 0.000 0.000 0.298 15 A C -1.209 176.371 177.584 -0.007 0.000 1.051 15 A CA -0.420 51.611 52.037 -0.009 0.000 0.690 15 A CB 2.285 21.283 19.000 -0.004 0.000 1.281 15 A HN 0.496 nan 8.150 nan 0.000 0.402 16 V N 2.909 122.820 119.914 -0.006 0.000 2.482 16 V HA 0.486 4.606 4.120 0.000 0.000 0.295 16 V C -0.796 175.296 176.094 -0.003 0.000 1.026 16 V CA -0.058 62.239 62.300 -0.004 0.000 0.856 16 V CB 1.253 33.072 31.823 -0.006 0.000 1.001 16 V HN 0.714 nan 8.190 nan 0.000 0.424 17 I N 4.560 125.129 120.570 -0.002 0.000 2.521 17 I HA 0.620 4.791 4.170 0.000 0.000 0.277 17 I C 1.038 177.154 176.117 -0.003 0.000 1.054 17 I CA -0.058 61.241 61.300 -0.002 0.000 1.117 17 I CB 1.291 39.289 38.000 -0.002 0.000 1.217 17 I HN 0.833 nan 8.210 nan 0.000 0.469 18 G N 4.750 113.548 108.800 -0.003 0.000 2.591 18 G HA2 -0.376 3.584 3.960 0.000 0.000 0.298 18 G HA3 -0.376 3.584 3.960 0.000 0.000 0.298 18 G C 0.880 175.779 174.900 -0.002 0.000 1.195 18 G CA 0.560 45.658 45.100 -0.003 0.000 0.989 18 G HN 0.805 nan 8.290 nan 0.000 0.551 19 A N -0.710 122.109 122.820 -0.003 0.000 2.238 19 A HA 0.574 4.894 4.320 0.000 0.000 0.208 19 A C 0.905 178.490 177.584 0.002 0.000 1.177 19 A CA 1.615 53.651 52.037 -0.001 0.000 0.804 19 A CB 0.054 19.051 19.000 -0.005 0.000 0.823 19 A HN 1.392 nan 8.150 nan 0.000 0.482 20 V N 1.204 121.119 119.914 0.002 0.000 2.347 20 V HA 0.365 4.485 4.120 0.000 0.000 0.280 20 V C -0.664 175.435 176.094 0.008 0.000 1.021 20 V CA -0.446 61.857 62.300 0.006 0.000 0.847 20 V CB 1.373 33.198 31.823 0.003 0.000 0.990 20 V HN 0.078 nan 8.190 nan 0.000 0.444 21 V N 4.158 124.080 119.914 0.014 0.000 2.448 21 V HA 0.472 4.592 4.120 0.000 0.000 0.295 21 V C -0.589 175.518 176.094 0.022 0.000 1.025 21 V CA -0.804 61.504 62.300 0.014 0.000 0.859 21 V CB 1.958 33.789 31.823 0.014 0.000 0.988 21 V HN 0.770 nan 8.190 nan 0.000 0.431 22 D N 3.405 123.814 120.400 0.015 0.000 2.210 22 D HA 0.563 5.203 4.640 0.000 0.000 0.249 22 D C -0.498 175.808 176.300 0.009 0.000 1.078 22 D CA -0.033 53.980 54.000 0.021 0.000 0.875 22 D CB 2.192 43.001 40.800 0.014 0.000 1.175 22 D HN 0.274 nan 8.370 nan 0.000 0.440 23 V N 2.237 122.169 119.914 0.029 0.000 2.577 23 V HA 0.261 4.381 4.120 0.000 0.000 0.303 23 V C -0.106 175.980 176.094 -0.013 0.000 1.042 23 V CA -0.910 61.376 62.300 -0.023 0.000 0.872 23 V CB 1.898 33.726 31.823 0.009 0.000 0.998 23 V HN 0.395 nan 8.190 nan 0.000 0.423 24 Q N 2.861 122.587 119.800 -0.123 0.000 2.243 24 Q HA 0.610 4.950 4.340 0.000 0.000 0.252 24 Q C -1.809 174.044 176.000 -0.244 0.000 0.909 24 Q CA -0.422 55.331 55.803 -0.084 0.000 0.922 24 Q CB 1.271 29.967 28.738 -0.070 0.000 1.215 24 Q HN 0.644 nan 8.270 nan 0.000 0.427 25 F N 2.428 122.346 119.950 -0.053 0.000 2.467 25 F HA 0.183 4.710 4.527 0.000 0.000 0.336 25 F C 0.614 176.388 175.800 -0.044 0.000 1.123 25 F CA -0.648 57.323 58.000 -0.049 0.000 0.964 25 F CB 1.724 40.685 39.000 -0.063 0.000 1.136 25 F HN 0.653 nan 8.300 nan 0.000 0.447 26 D N 1.542 122.003 120.400 0.102 0.000 2.123 26 D HA -0.073 4.567 4.640 0.000 0.000 0.200 26 D C 1.137 177.479 176.300 0.069 0.000 0.976 26 D CA 1.591 55.625 54.000 0.056 0.000 0.831 26 D CB 0.380 41.193 40.800 0.022 0.000 0.974 26 D HN 0.645 nan 8.370 nan 0.000 0.469 27 E N -0.536 119.725 120.200 0.101 0.000 3.536 27 E HA 0.433 4.783 4.350 0.000 0.000 0.381 27 E C 0.875 177.499 176.600 0.041 0.000 0.471 27 E CA -0.257 56.180 56.400 0.062 0.000 2.090 27 E CB -0.598 29.136 29.700 0.057 0.000 2.208 27 E HN 0.028 nan 8.360 nan 0.000 0.475 28 G N 0.546 109.354 108.800 0.012 0.000 2.432 28 G HA2 0.390 4.350 3.960 0.000 0.000 0.257 28 G HA3 0.390 4.350 3.960 0.000 0.000 0.257 28 G C -0.944 173.859 174.900 -0.161 0.000 1.238 28 G CA -0.384 44.684 45.100 -0.053 0.000 0.838 28 G HN 0.033 nan 8.290 nan 0.000 0.547 29 L N 4.335 125.439 121.223 -0.198 0.000 2.265 29 L HA 0.362 4.702 4.340 0.000 0.000 0.288 29 L C -1.569 175.103 176.870 -0.330 0.000 1.058 29 L CA -1.857 52.764 54.840 -0.365 0.000 0.809 29 L CB 1.303 43.143 42.059 -0.365 0.000 1.179 29 L HN 0.346 nan 8.230 nan 0.000 0.429 30 P HA 0.129 nan 4.420 nan 0.000 0.267 30 P C -2.656 174.645 177.300 0.001 0.000 1.205 30 P CA -1.030 61.907 63.100 -0.271 0.000 0.765 30 P CB -0.098 31.374 31.700 -0.380 0.000 0.828 31 P HA 0.098 nan 4.420 nan 0.000 0.270 31 P C 0.557 177.844 177.300 -0.021 0.000 1.223 31 P CA -0.047 63.066 63.100 0.022 0.000 0.785 31 P CB 0.696 32.374 31.700 -0.038 0.000 0.923 32 I N 2.332 122.809 120.570 -0.154 0.000 2.845 32 I HA -0.165 4.006 4.170 0.000 0.000 0.296 32 I C 1.549 177.587 176.117 -0.132 0.000 1.216 32 I CA 0.738 61.948 61.300 -0.150 0.000 1.438 32 I CB -0.403 37.464 38.000 -0.223 0.000 1.342 32 I HN 0.458 nan 8.210 nan 0.000 0.577 33 L N 2.058 123.204 121.223 -0.128 0.000 3.853 33 L HA -0.228 4.112 4.340 0.000 0.000 0.416 33 L C 0.219 177.045 176.870 -0.073 0.000 0.766 33 L CA 0.010 54.737 54.840 -0.187 0.000 2.383 33 L CB -1.586 40.256 42.059 -0.363 0.000 1.276 33 L HN 0.675 nan 8.230 nan 0.000 0.597 34 N N 1.381 120.056 118.700 -0.041 0.000 2.454 34 N HA 0.445 5.185 4.740 0.000 0.000 0.254 34 N C 0.305 175.825 175.510 0.017 0.000 1.228 34 N CA 0.982 54.024 53.050 -0.013 0.000 0.900 34 N CB 0.855 39.323 38.487 -0.031 0.000 1.089 34 N HN 0.310 nan 8.380 nan 0.000 0.449 35 A N 2.928 125.764 122.820 0.027 0.000 2.320 35 A HA 0.465 4.785 4.320 0.000 0.000 0.287 35 A C -0.277 177.330 177.584 0.040 0.000 1.181 35 A CA -0.490 51.570 52.037 0.039 0.000 0.831 35 A CB -0.072 18.950 19.000 0.037 0.000 1.102 35 A HN 0.634 nan 8.150 nan 0.000 0.513 36 L N 2.380 123.640 121.223 0.060 0.000 2.334 36 L HA 0.479 4.819 4.340 0.000 0.000 0.275 36 L C -0.077 176.832 176.870 0.064 0.000 1.036 36 L CA -0.675 54.217 54.840 0.087 0.000 0.807 36 L CB 1.487 43.632 42.059 0.144 0.000 1.231 36 L HN 0.616 nan 8.230 nan 0.000 0.438 37 E N 2.552 122.788 120.200 0.059 0.000 2.145 37 E HA 0.316 4.666 4.350 0.000 0.000 0.270 37 E C -0.880 175.738 176.600 0.030 0.000 0.906 37 E CA -0.651 55.770 56.400 0.036 0.000 0.761 37 E CB 2.640 32.353 29.700 0.022 0.000 1.116 37 E HN 0.196 nan 8.360 nan 0.000 0.408 38 V N 4.085 124.011 119.914 0.019 0.000 2.555 38 V HA 0.002 4.122 4.120 0.000 0.000 0.286 38 V C 0.610 176.704 176.094 0.000 0.000 1.044 38 V CA -0.400 61.903 62.300 0.006 0.000 1.026 38 V CB 0.862 32.687 31.823 0.003 0.000 0.981 38 V HN 0.497 nan 8.190 nan 0.000 0.480 39 Q N 2.478 122.274 119.800 -0.008 0.000 2.256 39 Q HA 0.449 4.789 4.340 0.000 0.000 0.232 39 Q C 1.148 177.142 176.000 -0.011 0.000 0.965 39 Q CA 0.320 56.117 55.803 -0.009 0.000 0.908 39 Q CB 1.044 29.774 28.738 -0.013 0.000 1.209 39 Q HN 1.144 nan 8.270 nan 0.000 0.489 40 G N 1.273 110.068 108.800 -0.009 0.000 2.160 40 G HA2 -0.213 3.747 3.960 0.000 0.000 0.244 40 G HA3 -0.213 3.747 3.960 0.000 0.000 0.244 40 G C -0.168 174.727 174.900 -0.007 0.000 1.022 40 G CA -0.039 45.056 45.100 -0.009 0.000 0.741 40 G HN 0.287 nan 8.290 nan 0.000 0.508 41 R N -0.458 120.040 120.500 -0.005 0.000 2.778 41 R HA 0.471 4.812 4.340 0.000 0.000 0.277 41 R C 0.941 177.240 176.300 -0.002 0.000 0.977 41 R CA -0.475 55.623 56.100 -0.003 0.000 0.950 41 R CB 1.312 31.612 30.300 -0.001 0.000 1.165 41 R HN 0.383 nan 8.270 nan 0.000 0.474 42 E N 0.733 120.932 120.200 -0.001 0.000 2.112 42 E HA -0.057 4.293 4.350 0.000 0.000 0.190 42 E C -0.279 176.322 176.600 0.001 0.000 0.979 42 E CA 0.933 57.333 56.400 -0.000 0.000 0.814 42 E CB 0.454 30.154 29.700 -0.000 0.000 0.762 42 E HN 0.642 nan 8.360 nan 0.000 0.460 43 T N -1.748 112.807 114.554 0.002 0.000 2.908 43 T HA 0.383 4.733 4.350 0.000 0.000 0.290 43 T C -0.260 174.442 174.700 0.005 0.000 1.034 43 T CA -0.961 61.141 62.100 0.004 0.000 1.010 43 T CB 1.812 70.682 68.868 0.004 0.000 1.068 43 T HN 0.016 nan 8.240 nan 0.000 0.481 44 R N 0.983 121.487 120.500 0.006 0.000 2.488 44 R HA 0.139 4.479 4.340 0.000 0.000 0.317 44 R C -0.890 175.416 176.300 0.010 0.000 0.941 44 R CA -0.280 55.824 56.100 0.007 0.000 1.076 44 R CB -0.283 30.021 30.300 0.008 0.000 0.917 44 R HN 0.538 nan 8.270 nan 0.000 0.407 45 L N 6.414 127.643 121.223 0.010 0.000 2.295 45 L HA 0.307 4.647 4.340 0.000 0.000 0.281 45 L C -1.105 175.776 176.870 0.019 0.000 1.018 45 L CA -0.444 54.404 54.840 0.013 0.000 0.841 45 L CB 1.679 43.744 42.059 0.010 0.000 1.218 45 L HN 0.278 nan 8.230 nan 0.000 0.424 46 V N 6.290 126.218 119.914 0.023 0.000 2.439 46 V HA 0.419 4.539 4.120 0.000 0.000 0.282 46 V C 0.160 176.275 176.094 0.036 0.000 1.039 46 V CA -0.513 61.805 62.300 0.030 0.000 0.913 46 V CB 1.488 33.330 31.823 0.031 0.000 0.983 46 V HN 0.565 nan 8.190 nan 0.000 0.460 47 L N 4.238 125.488 121.223 0.045 0.000 2.322 47 L HA 0.575 4.915 4.340 0.000 0.000 0.281 47 L C 0.066 176.970 176.870 0.057 0.000 1.014 47 L CA -0.344 54.526 54.840 0.050 0.000 0.815 47 L CB 1.814 43.908 42.059 0.058 0.000 1.247 47 L HN 0.652 nan 8.230 nan 0.000 0.421 48 E N 2.466 122.699 120.200 0.055 0.000 2.174 48 E HA 0.316 4.666 4.350 0.000 0.000 0.282 48 E C -0.955 175.672 176.600 0.046 0.000 0.992 48 E CA -0.789 55.645 56.400 0.056 0.000 0.803 48 E CB 1.724 31.470 29.700 0.076 0.000 1.090 48 E HN 0.330 nan 8.360 nan 0.000 0.396 49 V N 4.260 124.197 119.914 0.038 0.000 2.529 49 V HA 0.076 4.196 4.120 0.000 0.000 0.292 49 V C 0.897 176.997 176.094 0.010 0.000 1.028 49 V CA 0.888 63.214 62.300 0.043 0.000 1.074 49 V CB 0.708 32.561 31.823 0.051 0.000 0.958 49 V HN 0.884 nan 8.190 nan 0.000 0.481 50 A N 4.134 126.968 122.820 0.023 0.000 2.026 50 A HA 0.340 4.661 4.320 0.000 0.000 0.201 50 A C 0.727 178.305 177.584 -0.009 0.000 1.318 50 A CA 0.193 52.228 52.037 -0.004 0.000 0.857 50 A CB 0.402 19.404 19.000 0.004 0.000 0.939 50 A HN 0.734 nan 8.150 nan 0.000 0.476 51 Q N -0.699 119.124 119.800 0.038 0.000 2.379 51 Q HA 0.369 4.709 4.340 0.000 0.000 0.278 51 Q C -1.685 174.426 176.000 0.185 0.000 1.068 51 Q CA -0.506 55.326 55.803 0.048 0.000 0.816 51 Q CB 2.056 30.818 28.738 0.040 0.000 1.387 51 Q HN 0.666 nan 8.270 nan 0.000 0.413 52 H N 2.576 121.641 119.070 -0.007 0.000 2.652 52 H HA 0.205 4.762 4.556 0.000 0.000 0.298 52 H C 0.631 175.962 175.328 0.006 0.000 1.076 52 H CA -0.298 55.749 56.048 -0.000 0.000 1.360 52 H CB 1.086 30.842 29.762 -0.010 0.000 1.421 52 H HN 0.459 nan 8.280 nan 0.000 0.464 53 L N 2.897 124.188 121.223 0.113 0.000 2.341 53 L HA 0.136 4.476 4.340 0.000 0.000 0.214 53 L C 1.201 178.100 176.870 0.049 0.000 1.115 53 L CA 0.660 55.539 54.840 0.065 0.000 0.820 53 L CB 0.011 42.097 42.059 0.045 0.000 0.944 53 L HN 0.915 nan 8.230 nan 0.000 0.452 54 G N -0.248 108.579 108.800 0.044 0.000 2.479 54 G HA2 -0.138 3.822 3.960 0.000 0.000 0.686 54 G HA3 -0.138 3.822 3.960 0.000 0.000 0.686 54 G C -0.104 174.803 174.900 0.011 0.000 1.295 54 G CA -0.496 44.620 45.100 0.027 0.000 0.922 54 G HN 0.239 nan 8.290 nan 0.000 0.582 55 E N -0.859 119.345 120.200 0.007 0.000 2.328 55 E HA -0.196 4.154 4.350 0.000 0.000 0.233 55 E C 1.067 177.668 176.600 0.002 0.000 1.219 55 E CA 1.164 57.566 56.400 0.004 0.000 0.717 55 E CB -1.471 28.232 29.700 0.005 0.000 1.210 55 E HN 2.005 nan 8.360 nan 0.000 0.381 56 S N -2.159 113.536 115.700 -0.008 0.000 3.561 56 S HA -0.211 4.260 4.470 0.000 0.000 0.318 56 S C 0.138 174.750 174.600 0.020 0.000 1.181 56 S CA 1.417 59.613 58.200 -0.006 0.000 0.916 56 S CB -1.043 62.167 63.200 0.018 0.000 0.966 56 S HN 0.450 nan 8.310 nan 0.000 0.550 57 T N 1.710 116.266 114.554 0.005 0.000 2.797 57 T HA 0.610 4.960 4.350 0.000 0.000 0.279 57 T C 0.295 175.009 174.700 0.025 0.000 0.991 57 T CA -0.306 61.813 62.100 0.032 0.000 0.979 57 T CB 1.765 70.647 68.868 0.022 0.000 0.943 57 T HN 0.527 nan 8.240 nan 0.000 0.444 58 V N 1.702 121.661 119.914 0.075 0.000 2.630 58 V HA 0.726 4.846 4.120 0.000 0.000 0.305 58 V C -0.129 176.024 176.094 0.099 0.000 1.046 58 V CA -1.314 61.044 62.300 0.096 0.000 0.934 58 V CB 1.509 33.401 31.823 0.115 0.000 1.003 58 V HN 0.830 nan 8.190 nan 0.000 0.451 59 R N 2.440 122.997 120.500 0.095 0.000 2.265 59 R HA 0.679 5.019 4.340 0.000 0.000 0.319 59 R C -0.063 176.276 176.300 0.066 0.000 1.006 59 R CA 0.285 56.425 56.100 0.066 0.000 0.880 59 R CB 1.295 31.624 30.300 0.048 0.000 1.077 59 R HN 1.166 nan 8.270 nan 0.000 0.454 60 T N 2.156 116.743 114.554 0.055 0.000 2.916 60 T HA 0.535 4.885 4.350 0.000 0.000 0.292 60 T C 0.141 174.860 174.700 0.033 0.000 1.055 60 T CA -1.025 61.105 62.100 0.051 0.000 1.009 60 T CB 1.128 70.035 68.868 0.066 0.000 1.118 60 T HN 0.581 nan 8.240 nan 0.000 0.497 61 I N 0.135 120.722 120.570 0.029 0.000 2.412 61 I HA 0.831 5.002 4.170 0.000 0.000 0.296 61 I C 0.118 176.250 176.117 0.026 0.000 0.987 61 I CA -1.377 59.935 61.300 0.020 0.000 1.180 61 I CB 1.271 39.278 38.000 0.011 0.000 1.340 61 I HN 0.887 nan 8.210 nan 0.000 0.455 62 A N 6.540 129.372 122.820 0.019 0.000 2.322 62 A HA 0.550 4.870 4.320 0.000 0.000 0.269 62 A C 0.649 178.245 177.584 0.021 0.000 1.094 62 A CA -0.631 51.419 52.037 0.021 0.000 0.807 62 A CB 0.816 19.825 19.000 0.015 0.000 1.047 62 A HN 0.879 nan 8.150 nan 0.000 0.487 63 M N 0.530 120.145 119.600 0.024 0.000 2.428 63 M HA 0.220 4.700 4.480 0.000 0.000 0.239 63 M C -0.098 176.214 176.300 0.020 0.000 1.121 63 M CA 0.471 55.785 55.300 0.024 0.000 1.019 63 M CB -0.862 31.756 32.600 0.030 0.000 1.485 63 M HN 0.793 nan 8.290 nan 0.000 0.484 64 D N -1.150 119.260 120.400 0.016 0.000 2.759 64 D HA 0.471 5.111 4.640 0.000 0.000 0.321 64 D C -0.530 175.776 176.300 0.010 0.000 1.267 64 D CA -0.229 53.779 54.000 0.013 0.000 0.933 64 D CB 1.295 42.103 40.800 0.013 0.000 1.431 64 D HN 0.098 nan 8.370 nan 0.000 0.504 65 G N -0.804 108.000 108.800 0.007 0.000 2.432 65 G HA2 0.332 4.292 3.960 0.000 0.000 0.239 65 G HA3 0.332 4.292 3.960 0.000 0.000 0.239 65 G C 0.838 175.740 174.900 0.004 0.000 1.291 65 G CA 0.535 45.638 45.100 0.005 0.000 0.863 65 G HN 0.392 nan 8.290 nan 0.000 0.560 66 T N -1.142 113.413 114.554 0.002 0.000 3.122 66 T HA 0.128 4.478 4.350 0.000 0.000 0.250 66 T C 0.757 175.456 174.700 -0.001 0.000 1.067 66 T CA -0.029 62.071 62.100 0.001 0.000 0.966 66 T CB 0.007 68.876 68.868 0.001 0.000 1.002 66 T HN 0.639 nan 8.240 nan 0.000 0.542 67 E N 1.834 122.034 120.200 -0.001 0.000 2.414 67 E HA 0.300 4.650 4.350 0.000 0.000 0.263 67 E C 1.165 177.764 176.600 -0.003 0.000 1.000 67 E CA 0.630 57.029 56.400 -0.002 0.000 0.914 67 E CB 0.223 29.922 29.700 -0.001 0.000 0.948 67 E HN 0.443 nan 8.360 nan 0.000 0.444 68 G N 2.786 111.584 108.800 -0.004 0.000 2.217 68 G HA2 -0.271 3.689 3.960 0.000 0.000 0.246 68 G HA3 -0.271 3.689 3.960 0.000 0.000 0.246 68 G C 0.342 175.237 174.900 -0.007 0.000 0.990 68 G CA 0.172 45.269 45.100 -0.005 0.000 0.627 68 G HN 0.494 nan 8.290 nan 0.000 0.522 69 L N 0.991 122.210 121.223 -0.007 0.000 2.456 69 L HA 0.478 4.819 4.340 0.000 0.000 0.272 69 L C 0.534 177.397 176.870 -0.012 0.000 1.189 69 L CA -0.248 54.586 54.840 -0.010 0.000 0.846 69 L CB 1.185 43.238 42.059 -0.009 0.000 1.111 69 L HN 0.009 nan 8.230 nan 0.000 0.475 70 V N 3.394 123.298 119.914 -0.017 0.000 2.604 70 V HA 0.362 4.482 4.120 0.000 0.000 0.305 70 V C 0.109 176.189 176.094 -0.024 0.000 1.043 70 V CA -0.942 61.347 62.300 -0.018 0.000 0.888 70 V CB 1.895 33.708 31.823 -0.018 0.000 0.995 70 V HN 0.676 nan 8.190 nan 0.000 0.429 71 R N 2.339 122.824 120.500 -0.024 0.000 2.538 71 R HA 0.366 4.706 4.340 0.000 0.000 0.282 71 R C 1.370 177.648 176.300 -0.035 0.000 1.009 71 R CA 1.214 57.296 56.100 -0.029 0.000 1.063 71 R CB 0.027 30.312 30.300 -0.025 0.000 0.945 71 R HN 1.212 nan 8.270 nan 0.000 0.414 72 G N 1.583 110.354 108.800 -0.047 0.000 2.234 72 G HA2 -0.341 3.619 3.960 0.000 0.000 0.235 72 G HA3 -0.341 3.619 3.960 0.000 0.000 0.235 72 G C 0.243 175.108 174.900 -0.059 0.000 0.997 72 G CA 0.073 45.141 45.100 -0.054 0.000 0.623 72 G HN 0.601 nan 8.290 nan 0.000 0.514 73 Q N 1.070 120.839 119.800 -0.052 0.000 2.333 73 Q HA 0.398 4.738 4.340 0.000 0.000 0.299 73 Q C 0.325 176.283 176.000 -0.071 0.000 1.067 73 Q CA 0.533 56.306 55.803 -0.050 0.000 0.943 73 Q CB 0.266 28.982 28.738 -0.037 0.000 1.233 73 Q HN 0.451 nan 8.270 nan 0.000 0.401 74 K N 1.597 121.958 120.400 -0.064 0.000 2.205 74 K HA 0.384 4.704 4.320 0.000 0.000 0.279 74 K C -1.288 175.270 176.600 -0.071 0.000 1.027 74 K CA -0.442 55.796 56.287 -0.081 0.000 0.932 74 K CB 1.336 33.800 32.500 -0.059 0.000 1.032 74 K HN 0.302 nan 8.250 nan 0.000 0.466 75 V N 4.697 124.548 119.914 -0.105 0.000 2.531 75 V HA 0.343 4.464 4.120 0.000 0.000 0.301 75 V C -0.611 175.492 176.094 0.014 0.000 1.034 75 V CA -0.909 61.361 62.300 -0.050 0.000 0.865 75 V CB 1.471 33.251 31.823 -0.071 0.000 0.995 75 V HN 0.606 nan 8.190 nan 0.000 0.424 76 L N 3.311 124.581 121.223 0.077 0.000 2.295 76 L HA 0.522 4.862 4.340 0.000 0.000 0.285 76 L C -0.179 176.792 176.870 0.168 0.000 1.035 76 L CA -0.532 54.384 54.840 0.126 0.000 0.806 76 L CB 1.682 43.779 42.059 0.064 0.000 1.214 76 L HN 0.614 nan 8.230 nan 0.000 0.426 77 D N 1.105 121.625 120.400 0.200 0.000 2.343 77 D HA 0.018 4.658 4.640 0.000 0.000 0.255 77 D C 1.033 177.352 176.300 0.032 0.000 1.187 77 D CA -0.093 53.954 54.000 0.079 0.000 0.875 77 D CB 1.488 42.257 40.800 -0.051 0.000 1.136 77 D HN 0.519 nan 8.370 nan 0.000 0.469 78 S N 2.621 118.330 115.700 0.015 0.000 2.522 78 S HA 0.152 4.622 4.470 0.000 0.000 0.227 78 S C 1.706 176.296 174.600 -0.017 0.000 0.986 78 S CA 0.611 58.809 58.200 -0.003 0.000 0.929 78 S CB -0.142 63.054 63.200 -0.007 0.000 0.769 78 S HN 0.904 nan 8.310 nan 0.000 0.529 79 G N 0.404 109.190 108.800 -0.023 0.000 2.241 79 G HA2 -0.003 3.957 3.960 0.000 0.000 0.244 79 G HA3 -0.003 3.957 3.960 0.000 0.000 0.244 79 G C 0.187 175.072 174.900 -0.024 0.000 0.998 79 G CA -0.131 44.952 45.100 -0.028 0.000 0.621 79 G HN 1.572 nan 8.290 nan 0.000 0.519 80 A N -0.462 122.348 122.820 -0.017 0.000 2.593 80 A HA 0.918 5.239 4.320 0.000 0.000 0.290 80 A C -2.869 174.721 177.584 0.011 0.000 1.126 80 A CA -0.776 51.258 52.037 -0.005 0.000 0.695 80 A CB 1.104 20.102 19.000 -0.004 0.000 1.290 80 A HN 0.094 nan 8.150 nan 0.000 0.414 81 P HA 0.234 nan 4.420 nan 0.000 0.274 81 P C -0.376 176.969 177.300 0.074 0.000 1.264 81 P CA -0.186 62.960 63.100 0.077 0.000 0.795 81 P CB 0.194 31.979 31.700 0.143 0.000 1.064 82 I N 0.755 121.384 120.570 0.099 0.000 2.742 82 I HA -0.077 4.093 4.170 0.000 0.000 0.287 82 I C 1.140 177.290 176.117 0.054 0.000 1.186 82 I CA 0.968 62.305 61.300 0.062 0.000 1.417 82 I CB -0.230 37.805 38.000 0.059 0.000 1.377 82 I HN 0.114 nan 8.210 nan 0.000 0.556 83 R N 6.934 127.460 120.500 0.043 0.000 2.445 83 R HA 0.651 4.991 4.340 0.000 0.000 0.308 83 R C -0.784 175.600 176.300 0.141 0.000 0.961 83 R CA -0.821 55.323 56.100 0.074 0.000 0.862 83 R CB 1.816 32.142 30.300 0.043 0.000 1.144 83 R HN 0.560 nan 8.270 nan 0.000 0.447 84 I N -0.471 120.199 120.570 0.168 0.000 2.740 84 I HA 0.599 4.770 4.170 0.000 0.000 0.303 84 I C -2.627 173.560 176.117 0.116 0.000 1.044 84 I CA -3.282 58.116 61.300 0.165 0.000 1.064 84 I CB 1.805 39.827 38.000 0.037 0.000 1.249 84 I HN 0.336 nan 8.210 nan 0.000 0.433 85 P HA 0.171 nan 4.420 nan 0.000 0.267 85 P C -0.539 176.517 177.300 -0.406 0.000 1.205 85 P CA -0.057 62.749 63.100 -0.489 0.000 0.765 85 P CB 0.658 32.144 31.700 -0.357 0.000 0.828 86 V N 0.339 119.913 119.914 -0.566 0.000 3.155 86 V HA 1.017 5.137 4.120 0.000 0.000 0.313 86 V C 0.210 175.696 176.094 -1.014 0.000 1.162 86 V CA -0.327 61.541 62.300 -0.721 0.000 1.048 86 V CB 1.213 32.622 31.823 -0.690 0.000 1.092 86 V HN 0.930 nan 8.190 nan 0.000 0.447 87 G N 0.648 108.561 108.800 -1.478 0.000 2.525 87 G HA2 0.010 3.970 3.960 0.000 0.000 0.685 87 G HA3 0.010 3.970 3.960 0.000 0.000 0.685 87 G C -2.096 172.606 174.900 -0.329 0.000 1.290 87 G CA -0.103 44.353 45.100 -1.073 0.000 0.915 87 G HN 0.788 nan 8.290 nan 0.000 0.548 88 P HA -0.052 nan 4.420 nan 0.000 0.221 88 P C 1.184 178.478 177.300 -0.010 0.000 1.145 88 P CA 1.691 64.849 63.100 0.095 0.000 0.795 88 P CB 0.029 31.795 31.700 0.109 0.000 0.775 89 E N -0.213 119.944 120.200 -0.072 0.000 2.478 89 E HA -0.060 4.290 4.350 0.000 0.000 0.198 89 E C 1.573 178.132 176.600 -0.069 0.000 1.046 89 E CA 1.193 57.550 56.400 -0.072 0.000 0.870 89 E CB -1.232 28.411 29.700 -0.096 0.000 0.818 89 E HN 0.441 nan 8.360 nan 0.000 0.527 90 T N -1.169 113.343 114.554 -0.071 0.000 3.067 90 T HA 0.074 4.424 4.350 0.000 0.000 0.261 90 T C 1.184 175.898 174.700 0.023 0.000 1.110 90 T CA -0.097 61.982 62.100 -0.035 0.000 1.113 90 T CB -0.208 68.623 68.868 -0.062 0.000 0.917 90 T HN -0.003 nan 8.240 nan 0.000 0.499 91 L N 1.874 123.105 121.223 0.014 0.000 2.455 91 L HA 0.443 4.783 4.340 0.000 0.000 0.272 91 L C 1.733 178.604 176.870 0.002 0.000 1.174 91 L CA 0.772 55.597 54.840 -0.024 0.000 0.869 91 L CB 0.132 42.101 42.059 -0.150 0.000 1.130 91 L HN 0.535 nan 8.230 nan 0.000 0.474 92 G N 1.853 110.671 108.800 0.030 0.000 2.212 92 G HA2 -0.229 3.731 3.960 0.000 0.000 0.266 92 G HA3 -0.229 3.731 3.960 0.000 0.000 0.266 92 G C 0.401 175.362 174.900 0.102 0.000 0.978 92 G CA -0.239 44.896 45.100 0.059 0.000 0.632 92 G HN 0.473 nan 8.290 nan 0.000 0.537 93 R N -0.001 120.545 120.500 0.076 0.000 2.573 93 R HA 0.736 5.076 4.340 0.000 0.000 0.272 93 R C 0.430 176.770 176.300 0.066 0.000 1.009 93 R CA -0.978 55.161 56.100 0.065 0.000 1.059 93 R CB 0.692 31.007 30.300 0.026 0.000 1.112 93 R HN 0.345 nan 8.270 nan 0.000 0.517 94 I N 2.139 122.720 120.570 0.019 0.000 2.362 94 I HA 0.398 4.568 4.170 0.000 0.000 0.289 94 I C 0.177 176.308 176.117 0.023 0.000 0.994 94 I CA -0.409 60.904 61.300 0.021 0.000 1.158 94 I CB 1.335 39.282 38.000 -0.088 0.000 1.315 94 I HN 0.215 nan 8.210 nan 0.000 0.451 95 M N 5.398 125.028 119.600 0.050 0.000 2.578 95 M HA 0.350 4.830 4.480 0.000 0.000 0.321 95 M C -0.049 176.286 176.300 0.058 0.000 1.182 95 M CA -0.652 54.670 55.300 0.037 0.000 0.965 95 M CB 1.973 34.584 32.600 0.019 0.000 1.694 95 M HN 0.660 nan 8.290 nan 0.000 0.461 96 N N 0.734 119.460 118.700 0.045 0.000 2.514 96 N HA 0.246 4.986 4.740 0.000 0.000 0.299 96 N C 0.572 176.101 175.510 0.033 0.000 1.292 96 N CA -0.671 52.409 53.050 0.050 0.000 0.963 96 N CB -0.349 38.163 38.487 0.042 0.000 1.124 96 N HN 0.405 nan 8.380 nan 0.000 0.580 97 V N -1.053 118.879 119.914 0.030 0.000 2.392 97 V HA -0.160 3.960 4.120 0.000 0.000 0.249 97 V C 1.759 177.863 176.094 0.016 0.000 1.059 97 V CA 1.972 64.283 62.300 0.018 0.000 1.051 97 V CB -1.316 30.521 31.823 0.023 0.000 0.658 97 V HN 0.752 nan 8.190 nan 0.000 0.455 98 I N -1.636 118.949 120.570 0.025 0.000 3.891 98 I HA 0.688 4.858 4.170 0.000 0.000 0.331 98 I C 1.319 177.460 176.117 0.040 0.000 1.406 98 I CA 0.445 61.762 61.300 0.030 0.000 1.139 98 I CB -0.123 37.894 38.000 0.028 0.000 1.056 98 I HN 0.289 nan 8.210 nan 0.000 0.399 99 G N 1.193 110.015 108.800 0.036 0.000 2.148 99 G HA2 -0.272 3.688 3.960 0.000 0.000 0.254 99 G HA3 -0.272 3.688 3.960 0.000 0.000 0.254 99 G C -0.065 174.864 174.900 0.050 0.000 0.981 99 G CA 0.179 45.306 45.100 0.044 0.000 0.670 99 G HN 0.672 nan 8.290 nan 0.000 0.528 100 E N 1.542 121.766 120.200 0.040 0.000 2.366 100 E HA 0.345 4.695 4.350 0.000 0.000 0.266 100 E C -2.154 174.459 176.600 0.023 0.000 1.051 100 E CA -1.645 54.775 56.400 0.034 0.000 0.884 100 E CB 0.909 30.625 29.700 0.026 0.000 1.006 100 E HN 0.202 nan 8.360 nan 0.000 0.417 101 P HA 0.009 nan 4.420 nan 0.000 0.271 101 P C 0.055 177.352 177.300 -0.006 0.000 1.220 101 P CA 0.440 63.543 63.100 0.005 0.000 0.768 101 P CB 0.251 31.954 31.700 0.006 0.000 0.848 102 I N -0.582 119.974 120.570 -0.023 0.000 3.947 102 I HA 0.253 4.423 4.170 0.000 0.000 0.327 102 I C 0.067 176.128 176.117 -0.094 0.000 1.519 102 I CA -0.283 60.991 61.300 -0.044 0.000 1.122 102 I CB 0.055 38.034 38.000 -0.035 0.000 1.146 102 I HN 0.020 nan 8.210 nan 0.000 0.442 103 D N -0.089 120.256 120.400 -0.092 0.000 2.363 103 D HA 0.004 4.644 4.640 0.000 0.000 0.214 103 D C 0.559 176.838 176.300 -0.036 0.000 1.093 103 D CA -0.056 53.869 54.000 -0.126 0.000 0.837 103 D CB -0.040 40.677 40.800 -0.138 0.000 0.948 103 D HN 0.210 nan 8.370 nan 0.000 0.507 104 E N -0.072 120.115 120.200 -0.021 0.000 2.971 104 E HA -0.252 4.098 4.350 0.000 0.000 0.278 104 E C 0.042 176.652 176.600 0.016 0.000 1.009 104 E CA 0.394 56.795 56.400 0.002 0.000 0.862 104 E CB -1.683 28.021 29.700 0.007 0.000 1.436 104 E HN 0.574 nan 8.360 nan 0.000 0.434 105 R N 0.125 120.636 120.500 0.018 0.000 2.694 105 R HA 0.352 4.692 4.340 0.000 0.000 0.334 105 R C 1.038 177.348 176.300 0.018 0.000 1.143 105 R CA 0.370 56.485 56.100 0.025 0.000 1.073 105 R CB 0.768 31.091 30.300 0.037 0.000 1.366 105 R HN 0.307 nan 8.270 nan 0.000 0.577 106 G N 2.002 110.810 108.800 0.014 0.000 2.693 106 G HA2 -0.248 3.712 3.960 0.000 0.000 0.226 106 G HA3 -0.248 3.712 3.960 0.000 0.000 0.226 106 G C -2.439 172.470 174.900 0.015 0.000 1.354 106 G CA -1.204 43.905 45.100 0.014 0.000 0.873 106 G HN 0.108 nan 8.290 nan 0.000 0.562 107 P HA 0.381 nan 4.420 nan 0.000 0.267 107 P C 0.112 177.419 177.300 0.011 0.000 1.200 107 P CA -0.085 63.029 63.100 0.022 0.000 0.772 107 P CB 0.327 32.044 31.700 0.028 0.000 0.855 108 I N 2.900 123.475 120.570 0.008 0.000 2.269 108 I HA 0.112 4.282 4.170 0.000 0.000 0.293 108 I C 0.490 176.581 176.117 -0.044 0.000 1.106 108 I CA -0.190 61.093 61.300 -0.028 0.000 1.248 108 I CB 0.006 37.977 38.000 -0.049 0.000 1.444 108 I HN 0.102 nan 8.210 nan 0.000 0.497 109 K N 5.314 125.690 120.400 -0.041 0.000 2.222 109 K HA 0.222 4.542 4.320 0.000 0.000 0.243 109 K C 0.278 176.824 176.600 -0.091 0.000 1.160 109 K CA -0.409 55.857 56.287 -0.035 0.000 1.090 109 K CB -0.225 32.269 32.500 -0.009 0.000 1.694 109 K HN 0.570 nan 8.250 nan 0.000 0.361 110 T N -1.606 112.832 114.554 -0.193 0.000 2.912 110 T HA 0.282 4.633 4.350 0.000 0.000 0.280 110 T C 0.906 175.476 174.700 -0.216 0.000 0.989 110 T CA -0.914 61.026 62.100 -0.266 0.000 0.995 110 T CB 1.471 70.058 68.868 -0.468 0.000 1.077 110 T HN 0.136 nan 8.240 nan 0.000 0.531 111 K N 0.153 120.451 120.400 -0.170 0.000 2.098 111 K HA 0.087 4.407 4.320 0.000 0.000 0.203 111 K C 1.182 177.734 176.600 -0.081 0.000 1.051 111 K CA 0.861 57.105 56.287 -0.072 0.000 0.957 111 K CB 0.045 32.529 32.500 -0.027 0.000 0.738 111 K HN 0.726 nan 8.250 nan 0.000 0.447 112 Q N 0.102 119.772 119.800 -0.216 0.000 2.306 112 Q HA 0.376 4.716 4.340 0.000 0.000 0.265 112 Q C -0.889 174.855 176.000 -0.426 0.000 1.022 112 Q CA -0.554 55.155 55.803 -0.156 0.000 0.853 112 Q CB 1.335 30.034 28.738 -0.066 0.000 1.327 112 Q HN -0.067 nan 8.270 nan 0.000 0.449 113 F N 0.043 119.952 119.950 -0.067 0.000 2.556 113 F HA 0.796 5.323 4.527 0.000 0.000 0.327 113 F C -0.146 175.624 175.800 -0.050 0.000 1.059 113 F CA -0.801 57.157 58.000 -0.071 0.000 0.953 113 F CB 2.352 41.324 39.000 -0.047 0.000 1.227 113 F HN 0.790 nan 8.300 nan 0.000 0.478 114 A N 0.982 123.869 122.820 0.112 0.000 2.449 114 A HA 0.835 5.156 4.320 0.000 0.000 0.302 114 A C -1.008 176.614 177.584 0.064 0.000 1.048 114 A CA -0.760 51.318 52.037 0.067 0.000 0.708 114 A CB 0.979 19.991 19.000 0.021 0.000 1.274 114 A HN 1.007 nan 8.150 nan 0.000 0.410 115 A N 1.164 124.019 122.820 0.058 0.000 2.462 115 A HA 0.464 4.784 4.320 0.000 0.000 0.243 115 A C 1.048 178.643 177.584 0.019 0.000 1.076 115 A CA 0.235 52.305 52.037 0.055 0.000 0.773 115 A CB -0.363 18.680 19.000 0.072 0.000 1.010 115 A HN 1.628 nan 8.150 nan 0.000 0.493 116 I N -0.991 119.567 120.570 -0.020 0.000 3.251 116 I HA 0.099 4.269 4.170 0.000 0.000 0.277 116 I C 0.188 176.161 176.117 -0.240 0.000 1.268 116 I CA 0.266 61.483 61.300 -0.138 0.000 1.449 116 I CB -0.298 37.588 38.000 -0.189 0.000 1.083 116 I HN 0.490 nan 8.210 nan 0.000 0.464 117 H N 2.454 121.528 119.070 0.007 0.000 2.467 117 H HA 0.816 5.373 4.556 0.000 0.000 0.326 117 H C -0.481 174.849 175.328 0.002 0.000 1.094 117 H CA -0.218 55.833 56.048 0.005 0.000 1.253 117 H CB 1.787 31.555 29.762 0.010 0.000 1.439 117 H HN 0.397 nan 8.280 nan 0.000 0.479 118 A N 2.838 125.720 122.820 0.103 0.000 2.610 118 A HA 0.307 4.628 4.320 0.000 0.000 0.291 118 A C -0.696 176.915 177.584 0.044 0.000 1.086 118 A CA -0.947 51.125 52.037 0.059 0.000 0.677 118 A CB 1.495 20.513 19.000 0.029 0.000 1.278 118 A HN 0.556 nan 8.150 nan 0.000 0.414 119 E N 0.718 120.937 120.200 0.032 0.000 2.398 119 E HA 0.425 4.775 4.350 0.000 0.000 0.263 119 E C 0.503 177.114 176.600 0.018 0.000 1.046 119 E CA 0.323 56.739 56.400 0.026 0.000 0.908 119 E CB 1.160 30.873 29.700 0.023 0.000 0.963 119 E HN 0.842 nan 8.360 nan 0.000 0.431 120 A N 4.347 127.178 122.820 0.019 0.000 2.425 120 A HA 0.351 4.671 4.320 0.000 0.000 0.249 120 A C -2.014 175.583 177.584 0.022 0.000 1.084 120 A CA -1.183 50.864 52.037 0.016 0.000 0.781 120 A CB -0.398 18.616 19.000 0.022 0.000 1.019 120 A HN 0.321 nan 8.150 nan 0.000 0.490 121 P HA 0.027 nan 4.420 nan 0.000 0.263 121 P C -0.016 177.306 177.300 0.038 0.000 1.175 121 P CA 0.312 63.422 63.100 0.016 0.000 0.761 121 P CB 0.384 32.086 31.700 0.003 0.000 0.794 122 E N 1.516 121.741 120.200 0.041 0.000 2.409 122 E HA -0.027 4.323 4.350 0.000 0.000 0.257 122 E C 0.884 177.549 176.600 0.107 0.000 1.150 122 E CA -0.174 56.272 56.400 0.077 0.000 0.942 122 E CB 0.075 29.814 29.700 0.065 0.000 0.979 122 E HN 0.388 nan 8.360 nan 0.000 0.447 123 F N 2.004 121.955 119.950 0.001 0.000 2.120 123 F HA -0.246 4.281 4.527 0.000 0.000 0.300 123 F C 1.955 177.754 175.800 -0.001 0.000 1.095 123 F CA 1.885 59.885 58.000 0.001 0.000 1.249 123 F CB -0.391 38.609 39.000 0.001 0.000 0.995 123 F HN 0.285 nan 8.300 nan 0.000 0.480 124 V N -1.866 118.030 119.914 -0.030 0.000 2.867 124 V HA -0.205 3.915 4.120 0.000 0.000 0.260 124 V C 1.530 177.538 176.094 -0.144 0.000 1.099 124 V CA 1.991 64.216 62.300 -0.125 0.000 1.122 124 V CB -1.168 30.648 31.823 -0.012 0.000 0.708 124 V HN 0.456 nan 8.190 nan 0.000 0.490 125 E N -0.086 120.050 120.200 -0.106 0.000 2.489 125 E HA 0.167 4.517 4.350 0.000 0.000 0.193 125 E C 0.610 177.143 176.600 -0.112 0.000 1.057 125 E CA -0.216 56.133 56.400 -0.085 0.000 0.866 125 E CB 0.002 29.677 29.700 -0.042 0.000 0.916 125 E HN 0.471 nan 8.360 nan 0.000 0.500 126 M N 1.120 120.608 119.600 -0.187 0.000 2.243 126 M HA 0.093 4.573 4.480 0.000 0.000 0.341 126 M C 0.414 176.619 176.300 -0.158 0.000 1.130 126 M CA 0.207 55.399 55.300 -0.181 0.000 1.162 126 M CB 1.003 33.440 32.600 -0.272 0.000 1.497 126 M HN -0.132 nan 8.290 nan 0.000 0.456 127 S N 1.512 117.150 115.700 -0.103 0.000 2.537 127 S HA 0.607 5.077 4.470 0.000 0.000 0.301 127 S C 0.386 174.947 174.600 -0.065 0.000 1.092 127 S CA -0.809 57.343 58.200 -0.079 0.000 1.048 127 S CB 1.265 64.433 63.200 -0.054 0.000 1.053 127 S HN 0.584 nan 8.310 nan 0.000 0.501 128 V N 0.322 120.204 119.914 -0.055 0.000 3.528 128 V HA 0.492 4.612 4.120 0.000 0.000 0.294 128 V C 0.394 176.475 176.094 -0.022 0.000 1.404 128 V CA -0.303 61.976 62.300 -0.036 0.000 1.065 128 V CB -0.385 31.418 31.823 -0.034 0.000 0.904 128 V HN 0.727 nan 8.190 nan 0.000 0.435 129 E N 3.539 123.725 120.200 -0.023 0.000 2.384 129 E HA 0.283 4.633 4.350 0.000 0.000 0.266 129 E C -0.199 176.398 176.600 -0.005 0.000 1.012 129 E CA 0.459 56.850 56.400 -0.014 0.000 0.901 129 E CB 0.898 30.589 29.700 -0.015 0.000 0.967 129 E HN 0.882 nan 8.360 nan 0.000 0.435 130 Q N 1.600 121.401 119.800 0.001 0.000 2.296 130 Q HA 0.406 4.746 4.340 0.000 0.000 0.254 130 Q C -0.999 175.011 176.000 0.016 0.000 0.936 130 Q CA -0.783 55.026 55.803 0.011 0.000 0.834 130 Q CB 1.560 30.306 28.738 0.013 0.000 1.340 130 Q HN 0.499 nan 8.270 nan 0.000 0.428 131 E N 3.180 123.394 120.200 0.024 0.000 2.317 131 E HA 0.520 4.870 4.350 0.000 0.000 0.270 131 E C -1.039 175.589 176.600 0.046 0.000 0.885 131 E CA -1.083 55.335 56.400 0.031 0.000 0.760 131 E CB 2.282 31.997 29.700 0.026 0.000 1.227 131 E HN 0.685 nan 8.360 nan 0.000 0.434 132 I N 2.616 123.219 120.570 0.053 0.000 2.775 132 I HA -0.060 4.110 4.170 0.000 0.000 0.290 132 I C -0.759 175.404 176.117 0.076 0.000 1.203 132 I CA -0.197 61.146 61.300 0.071 0.000 1.433 132 I CB 0.445 38.492 38.000 0.078 0.000 1.354 132 I HN 0.534 nan 8.210 nan 0.000 0.579 133 L N 9.321 130.601 121.223 0.096 0.000 2.301 133 L HA 0.393 4.733 4.340 0.000 0.000 0.278 133 L C -0.689 176.228 176.870 0.078 0.000 1.022 133 L CA -0.360 54.540 54.840 0.100 0.000 0.854 133 L CB 0.976 43.118 42.059 0.139 0.000 1.226 133 L HN 0.302 nan 8.230 nan 0.000 0.429 134 V N 4.489 124.436 119.914 0.055 0.000 2.637 134 V HA 0.219 4.339 4.120 0.000 0.000 0.296 134 V C 1.459 177.562 176.094 0.015 0.000 1.046 134 V CA 0.731 63.046 62.300 0.026 0.000 1.066 134 V CB 1.011 32.853 31.823 0.032 0.000 0.968 134 V HN 0.929 nan 8.190 nan 0.000 0.483 135 T N -0.298 114.238 114.554 -0.029 0.000 2.969 135 T HA 0.308 4.659 4.350 0.000 0.000 0.250 135 T C 1.358 176.031 174.700 -0.045 0.000 1.021 135 T CA 0.756 62.836 62.100 -0.033 0.000 1.003 135 T CB 0.615 69.424 68.868 -0.097 0.000 1.040 135 T HN 1.506 nan 8.240 nan 0.000 0.492 136 G N 1.529 110.306 108.800 -0.039 0.000 2.175 136 G HA2 -0.174 3.786 3.960 0.000 0.000 0.244 136 G HA3 -0.174 3.786 3.960 0.000 0.000 0.244 136 G C -0.060 174.824 174.900 -0.027 0.000 0.982 136 G CA 0.018 45.099 45.100 -0.031 0.000 0.641 136 G HN 0.641 nan 8.290 nan 0.000 0.527 137 I N 1.027 121.576 120.570 -0.035 0.000 2.312 137 I HA 0.285 4.455 4.170 0.000 0.000 0.290 137 I C 1.548 177.677 176.117 0.021 0.000 1.008 137 I CA -0.780 60.538 61.300 0.029 0.000 1.226 137 I CB 1.372 39.396 38.000 0.040 0.000 1.371 137 I HN -0.005 nan 8.210 nan 0.000 0.468 138 K N 3.703 124.125 120.400 0.037 0.000 2.009 138 K HA -0.175 4.145 4.320 0.000 0.000 0.210 138 K C 1.826 178.436 176.600 0.018 0.000 1.049 138 K CA 1.324 57.632 56.287 0.034 0.000 0.929 138 K CB -0.092 32.412 32.500 0.007 0.000 0.714 138 K HN 0.566 nan 8.250 nan 0.000 0.440 139 V N 1.026 120.949 119.914 0.015 0.000 2.343 139 V HA -0.202 3.919 4.120 0.000 0.000 0.247 139 V C 2.044 178.118 176.094 -0.034 0.000 1.051 139 V CA 1.517 63.799 62.300 -0.029 0.000 1.036 139 V CB -0.001 31.826 31.823 0.007 0.000 0.654 139 V HN 0.117 nan 8.190 nan 0.000 0.451 140 V N 0.461 120.354 119.914 -0.034 0.000 2.244 140 V HA -0.199 3.921 4.120 0.000 0.000 0.244 140 V C 2.411 178.430 176.094 -0.126 0.000 1.042 140 V CA 2.474 64.701 62.300 -0.122 0.000 1.006 140 V CB -0.836 30.808 31.823 -0.297 0.000 0.641 140 V HN 0.568 nan 8.190 nan 0.000 0.446 141 D N -0.173 120.164 120.400 -0.105 0.000 2.133 141 D HA -0.179 4.461 4.640 0.000 0.000 0.195 141 D C 1.907 178.265 176.300 0.096 0.000 0.997 141 D CA 1.387 55.373 54.000 -0.023 0.000 0.840 141 D CB -0.297 40.486 40.800 -0.028 0.000 0.947 141 D HN 0.333 nan 8.370 nan 0.000 0.452 142 L N -0.095 121.145 121.223 0.027 0.000 2.023 142 L HA -0.039 4.301 4.340 0.000 0.000 0.205 142 L C 2.061 179.019 176.870 0.147 0.000 1.073 142 L CA 1.511 56.382 54.840 0.051 0.000 0.745 142 L CB -0.237 41.728 42.059 -0.157 0.000 0.900 142 L HN -0.004 nan 8.230 nan 0.000 0.435 143 L N -1.228 120.001 121.223 0.009 0.000 2.425 143 L HA 0.337 4.678 4.340 0.000 0.000 0.215 143 L C 0.658 177.534 176.870 0.010 0.000 1.065 143 L CA 0.453 55.280 54.840 -0.021 0.000 0.842 143 L CB -0.088 41.928 42.059 -0.071 0.000 1.033 143 L HN 0.254 nan 8.230 nan 0.000 0.474 144 A N 0.633 123.472 122.820 0.031 0.000 3.307 144 A HA 0.460 4.780 4.320 0.000 0.000 0.289 144 A C -2.708 174.922 177.584 0.077 0.000 1.138 144 A CA -0.805 51.275 52.037 0.071 0.000 0.860 144 A CB -0.079 18.988 19.000 0.112 0.000 1.318 144 A HN -0.171 nan 8.150 nan 0.000 0.551 145 P HA 0.205 nan 4.420 nan 0.000 0.275 145 P C -0.493 176.914 177.300 0.180 0.000 1.228 145 P CA 0.283 63.388 63.100 0.007 0.000 0.786 145 P CB 0.405 32.137 31.700 0.053 0.000 0.927 146 Y N 0.265 120.599 120.300 0.058 0.000 2.314 146 Y HA 0.435 4.985 4.550 0.000 0.000 0.334 146 Y C 1.147 177.066 175.900 0.033 0.000 1.266 146 Y CA -1.253 56.872 58.100 0.042 0.000 1.391 146 Y CB 0.752 39.234 38.460 0.037 0.000 1.306 146 Y HN 0.374 nan 8.280 nan 0.000 0.558 147 A N 2.193 125.125 122.820 0.187 0.000 2.350 147 A HA 0.432 4.752 4.320 0.000 0.000 0.324 147 A C -0.942 176.684 177.584 0.069 0.000 1.118 147 A CA -1.146 50.951 52.037 0.100 0.000 0.783 147 A CB 0.855 19.893 19.000 0.064 0.000 1.236 147 A HN 0.722 nan 8.150 nan 0.000 0.457 148 K N 0.734 121.167 120.400 0.056 0.000 2.401 148 K HA 0.366 4.686 4.320 0.000 0.000 0.278 148 K C 1.117 177.724 176.600 0.011 0.000 1.018 148 K CA 0.969 57.278 56.287 0.036 0.000 0.981 148 K CB 0.419 32.943 32.500 0.041 0.000 0.933 148 K HN 1.560 nan 8.250 nan 0.000 0.477 149 G N 1.951 110.745 108.800 -0.010 0.000 2.184 149 G HA2 -0.269 3.691 3.960 0.000 0.000 0.264 149 G HA3 -0.269 3.691 3.960 0.000 0.000 0.264 149 G C 0.507 175.387 174.900 -0.034 0.000 0.975 149 G CA 0.139 45.225 45.100 -0.025 0.000 0.642 149 G HN 0.869 nan 8.290 nan 0.000 0.536 150 G N -0.611 108.169 108.800 -0.032 0.000 2.547 150 G HA2 0.566 4.526 3.960 0.000 0.000 0.291 150 G HA3 0.566 4.526 3.960 0.000 0.000 0.291 150 G C -0.167 174.685 174.900 -0.080 0.000 1.211 150 G CA -0.597 44.481 45.100 -0.036 0.000 0.950 150 G HN 0.370 nan 8.290 nan 0.000 0.504 151 K N 0.107 120.465 120.400 -0.070 0.000 2.263 151 K HA 0.418 4.738 4.320 0.000 0.000 0.272 151 K C -0.877 175.646 176.600 -0.129 0.000 1.033 151 K CA -0.199 56.027 56.287 -0.101 0.000 0.884 151 K CB 1.760 34.227 32.500 -0.054 0.000 1.107 151 K HN 0.236 nan 8.250 nan 0.000 0.460 152 I N 1.504 121.938 120.570 -0.228 0.000 2.404 152 I HA 0.340 4.510 4.170 0.000 0.000 0.293 152 I C 0.325 176.288 176.117 -0.257 0.000 0.992 152 I CA -0.414 60.687 61.300 -0.331 0.000 1.149 152 I CB 2.114 39.711 38.000 -0.671 0.000 1.315 152 I HN 0.611 nan 8.210 nan 0.000 0.446 153 G N 6.655 115.350 108.800 -0.174 0.000 2.530 153 G HA2 0.709 4.669 3.960 0.000 0.000 0.316 153 G HA3 0.709 4.669 3.960 0.000 0.000 0.316 153 G C -1.043 173.775 174.900 -0.136 0.000 1.298 153 G CA -0.534 44.431 45.100 -0.224 0.000 0.948 153 G HN 0.448 nan 8.290 nan 0.000 0.486 154 L N 2.172 123.274 121.223 -0.202 0.000 2.301 154 L HA 0.454 4.794 4.340 0.000 0.000 0.278 154 L C -0.872 175.921 176.870 -0.128 0.000 1.022 154 L CA -0.600 54.218 54.840 -0.036 0.000 0.854 154 L CB 0.837 42.920 42.059 0.039 0.000 1.226 154 L HN 0.314 nan 8.230 nan 0.000 0.429 155 F N 1.396 121.333 119.950 -0.022 0.000 2.404 155 F HA 0.789 5.316 4.527 0.000 0.000 0.339 155 F C 0.957 176.750 175.800 -0.013 0.000 1.105 155 F CA -0.275 57.691 58.000 -0.056 0.000 1.087 155 F CB 2.033 40.980 39.000 -0.088 0.000 1.143 155 F HN 0.458 nan 8.300 nan 0.000 0.491 156 G N 0.886 109.756 108.800 0.117 0.000 2.556 156 G HA2 0.468 4.428 3.960 0.000 0.000 0.294 156 G HA3 0.468 4.428 3.960 0.000 0.000 0.294 156 G C -0.692 174.162 174.900 -0.077 0.000 1.516 156 G CA -0.397 44.736 45.100 0.056 0.000 0.824 156 G HN 0.909 nan 8.290 nan 0.000 0.535 157 G N -0.489 108.250 108.800 -0.101 0.000 2.683 157 G HA2 0.620 4.581 3.960 0.000 0.000 0.260 157 G HA3 0.620 4.581 3.960 0.000 0.000 0.260 157 G C 0.811 175.691 174.900 -0.033 0.000 1.238 157 G CA 0.499 45.478 45.100 -0.202 0.000 0.934 157 G HN 1.728 nan 8.290 nan 0.000 0.534 158 A N -1.174 121.693 122.820 0.078 0.000 2.492 158 A HA 0.528 4.848 4.320 0.000 0.000 0.254 158 A C 1.534 179.196 177.584 0.132 0.000 1.091 158 A CA 1.029 53.224 52.037 0.264 0.000 0.768 158 A CB -0.461 18.735 19.000 0.327 0.000 1.028 158 A HN 2.579 nan 8.150 nan 0.000 0.498 159 G N 0.770 109.640 108.800 0.118 0.000 2.160 159 G HA2 -0.171 3.789 3.960 0.000 0.000 0.251 159 G HA3 -0.171 3.789 3.960 0.000 0.000 0.251 159 G C 0.712 175.655 174.900 0.072 0.000 1.008 159 G CA 0.932 46.075 45.100 0.070 0.000 0.724 159 G HN 2.205 nan 8.290 nan 0.000 0.514 160 V N -3.706 116.261 119.914 0.089 0.000 3.644 160 V HA 0.679 4.799 4.120 0.000 0.000 0.267 160 V C 1.608 177.792 176.094 0.150 0.000 1.277 160 V CA 1.384 63.752 62.300 0.113 0.000 1.096 160 V CB 0.460 32.330 31.823 0.078 0.000 0.828 160 V HN 2.076 nan 8.190 nan 0.000 0.446 161 G N 0.345 109.213 108.800 0.113 0.000 2.276 161 G HA2 -0.148 3.812 3.960 0.000 0.000 0.177 161 G HA3 -0.148 3.812 3.960 0.000 0.000 0.177 161 G C 0.550 175.534 174.900 0.140 0.000 1.017 161 G CA 0.150 45.318 45.100 0.113 0.000 0.750 161 G HN 0.417 nan 8.290 nan 0.000 0.506 162 K N 0.068 120.547 120.400 0.132 0.000 2.026 162 K HA -0.048 4.272 4.320 0.000 0.000 0.208 162 K C 2.498 179.190 176.600 0.154 0.000 1.048 162 K CA 1.958 58.329 56.287 0.139 0.000 0.929 162 K CB -0.259 32.310 32.500 0.115 0.000 0.713 162 K HN 0.263 nan 8.250 nan 0.000 0.439 163 T N 1.031 115.673 114.554 0.146 0.000 2.812 163 T HA -0.077 4.273 4.350 0.000 0.000 0.264 163 T C 2.072 176.873 174.700 0.168 0.000 1.042 163 T CA 0.986 63.182 62.100 0.161 0.000 1.140 163 T CB -0.156 68.802 68.868 0.150 0.000 0.870 163 T HN -0.066 nan 8.240 nan 0.000 0.445 164 V N 1.770 121.784 119.914 0.165 0.000 2.287 164 V HA -0.144 3.976 4.120 0.000 0.000 0.248 164 V C 2.437 178.711 176.094 0.300 0.000 1.053 164 V CA 1.375 63.809 62.300 0.223 0.000 1.027 164 V CB -0.732 31.198 31.823 0.178 0.000 0.646 164 V HN 0.312 nan 8.190 nan 0.000 0.447 165 L N -0.191 121.230 121.223 0.331 0.000 2.013 165 L HA -0.182 4.158 4.340 0.000 0.000 0.212 165 L C 2.155 179.144 176.870 0.198 0.000 1.073 165 L CA 1.949 57.002 54.840 0.355 0.000 0.753 165 L CB -0.650 41.611 42.059 0.337 0.000 0.890 165 L HN 0.264 nan 8.230 nan 0.000 0.432 166 I N -1.391 119.291 120.570 0.187 0.000 2.493 166 I HA -0.273 3.897 4.170 0.000 0.000 0.254 166 I C 1.949 178.106 176.117 0.068 0.000 1.160 166 I CA 0.695 62.096 61.300 0.169 0.000 1.445 166 I CB 0.082 38.208 38.000 0.210 0.000 1.086 166 I HN 0.317 nan 8.210 nan 0.000 0.433 167 M N -0.292 119.349 119.600 0.067 0.000 2.200 167 M HA -0.154 4.326 4.480 0.000 0.000 0.265 167 M C 2.052 178.317 176.300 -0.059 0.000 1.066 167 M CA 1.378 56.673 55.300 -0.008 0.000 1.127 167 M CB -1.264 31.358 32.600 0.037 0.000 1.379 167 M HN 0.121 nan 8.290 nan 0.000 0.420 168 E N 0.848 121.004 120.200 -0.073 0.000 2.077 168 E HA -0.096 4.254 4.350 0.000 0.000 0.193 168 E C 2.023 178.514 176.600 -0.182 0.000 0.989 168 E CA 1.147 57.398 56.400 -0.249 0.000 0.800 168 E CB -0.280 28.978 29.700 -0.737 0.000 0.746 168 E HN 0.479 nan 8.360 nan 0.000 0.452 169 L N 0.025 121.208 121.223 -0.067 0.000 2.017 169 L HA -0.150 4.190 4.340 0.000 0.000 0.208 169 L C 2.517 179.400 176.870 0.023 0.000 1.073 169 L CA 1.103 55.976 54.840 0.054 0.000 0.745 169 L CB -0.456 41.754 42.059 0.251 0.000 0.894 169 L HN 0.199 nan 8.230 nan 0.000 0.432 170 I N 0.122 120.602 120.570 -0.150 0.000 2.208 170 I HA -0.333 3.837 4.170 0.000 0.000 0.245 170 I C 2.333 178.375 176.117 -0.126 0.000 1.097 170 I CA 1.670 62.788 61.300 -0.304 0.000 1.363 170 I CB -0.356 37.354 38.000 -0.484 0.000 1.051 170 I HN 0.384 nan 8.210 nan 0.000 0.413 171 N N 1.136 119.772 118.700 -0.106 0.000 2.080 171 N HA -0.179 4.561 4.740 0.000 0.000 0.189 171 N C 1.531 177.014 175.510 -0.046 0.000 1.036 171 N CA 1.641 54.646 53.050 -0.075 0.000 0.846 171 N CB -0.027 38.409 38.487 -0.086 0.000 1.015 171 N HN 0.163 nan 8.380 nan 0.000 0.423 172 N N -1.048 117.622 118.700 -0.051 0.000 2.409 172 N HA 0.003 4.743 4.740 0.000 0.000 0.179 172 N C 0.833 176.357 175.510 0.023 0.000 1.032 172 N CA 0.607 53.640 53.050 -0.028 0.000 0.898 172 N CB 0.393 38.843 38.487 -0.061 0.000 0.971 172 N HN 0.168 nan 8.380 nan 0.000 0.441 173 V N -1.270 118.680 119.914 0.059 0.000 3.350 173 V HA 0.328 4.448 4.120 0.000 0.000 0.246 173 V C 1.650 177.829 176.094 0.141 0.000 1.363 173 V CA 0.750 63.117 62.300 0.111 0.000 1.162 173 V CB 0.290 32.205 31.823 0.153 0.000 0.947 173 V HN 0.154 nan 8.190 nan 0.000 0.454 174 A N -0.211 122.684 122.820 0.125 0.000 1.997 174 A HA 0.050 4.370 4.320 0.000 0.000 0.212 174 A C 2.062 179.716 177.584 0.117 0.000 1.178 174 A CA 0.898 53.017 52.037 0.138 0.000 0.698 174 A CB -0.175 18.892 19.000 0.113 0.000 0.842 174 A HN 0.359 nan 8.150 nan 0.000 0.458 175 K N -0.333 120.102 120.400 0.059 0.000 2.211 175 K HA -0.047 4.273 4.320 0.000 0.000 0.204 175 K C 0.766 177.400 176.600 0.056 0.000 1.047 175 K CA 1.148 57.458 56.287 0.039 0.000 0.935 175 K CB -0.128 32.376 32.500 0.007 0.000 0.728 175 K HN 0.397 nan 8.250 nan 0.000 0.452 176 A N 0.901 123.767 122.820 0.076 0.000 2.959 176 A HA 0.114 4.434 4.320 0.000 0.000 0.280 176 A C -1.023 176.619 177.584 0.098 0.000 0.953 176 A CA -0.513 51.563 52.037 0.064 0.000 1.047 176 A CB -0.209 18.813 19.000 0.036 0.000 1.147 176 A HN 0.279 nan 8.150 nan 0.000 0.489 177 H N -1.038 118.046 119.070 0.024 0.000 2.467 177 H HA 0.551 5.107 4.556 0.000 0.000 0.331 177 H C 1.333 176.656 175.328 -0.008 0.000 1.120 177 H CA 0.595 56.654 56.048 0.019 0.000 1.270 177 H CB 1.578 31.369 29.762 0.049 0.000 1.466 177 H HN 0.140 nan 8.280 nan 0.000 0.504 178 G N 2.637 111.066 108.800 -0.620 0.000 2.402 178 G HA2 -0.034 3.926 3.960 0.000 0.000 0.216 178 G HA3 -0.034 3.926 3.960 0.000 0.000 0.216 178 G C 0.887 175.489 174.900 -0.496 0.000 1.162 178 G CA 0.545 45.367 45.100 -0.464 0.000 0.777 178 G HN 0.778 nan 8.290 nan 0.000 0.539 179 G N -1.248 107.073 108.800 -0.798 0.000 3.022 179 G HA2 0.525 4.485 3.960 0.000 0.000 0.157 179 G HA3 0.525 4.485 3.960 0.000 0.000 0.157 179 G C -0.779 174.035 174.900 -0.144 0.000 1.468 179 G CA -0.930 43.877 45.100 -0.489 0.000 1.058 179 G HN 0.239 nan 8.290 nan 0.000 0.581 180 Y N -0.652 119.672 120.300 0.039 0.000 2.457 180 Y HA 0.587 5.137 4.550 0.000 0.000 0.333 180 Y C 0.352 176.231 175.900 -0.034 0.000 1.119 180 Y CA -0.856 57.168 58.100 -0.128 0.000 1.143 180 Y CB 2.349 40.427 38.460 -0.636 0.000 1.230 180 Y HN 0.248 nan 8.280 nan 0.000 0.469 181 S N 1.187 116.980 115.700 0.155 0.000 2.536 181 S HA 0.638 5.108 4.470 0.000 0.000 0.298 181 S C -1.100 173.596 174.600 0.160 0.000 1.083 181 S CA -0.772 57.517 58.200 0.148 0.000 0.995 181 S CB 1.888 65.225 63.200 0.229 0.000 1.058 181 S HN 0.322 nan 8.310 nan 0.000 0.488 182 V N 3.013 123.040 119.914 0.189 0.000 2.487 182 V HA 0.503 4.623 4.120 0.000 0.000 0.298 182 V C -1.097 175.144 176.094 0.246 0.000 1.028 182 V CA -0.661 61.754 62.300 0.193 0.000 0.860 182 V CB 1.228 33.140 31.823 0.148 0.000 0.991 182 V HN 0.850 nan 8.190 nan 0.000 0.427 183 F N 4.143 124.145 119.950 0.086 0.000 2.426 183 F HA 0.776 5.303 4.527 0.000 0.000 0.348 183 F C 0.291 176.001 175.800 -0.150 0.000 1.124 183 F CA -0.499 57.522 58.000 0.035 0.000 1.008 183 F CB 1.190 40.197 39.000 0.012 0.000 1.139 183 F HN 0.553 nan 8.300 nan 0.000 0.452 184 A N 4.732 127.243 122.820 -0.514 0.000 2.256 184 A HA 0.626 4.946 4.320 0.000 0.000 0.317 184 A C -0.003 177.242 177.584 -0.564 0.000 1.318 184 A CA -0.374 51.402 52.037 -0.434 0.000 0.894 184 A CB 0.260 19.085 19.000 -0.291 0.000 1.165 184 A HN 1.000 nan 8.150 nan 0.000 0.525 185 G N 1.217 109.733 108.800 -0.473 0.000 2.338 185 G HA2 0.502 4.462 3.960 0.000 0.000 0.295 185 G HA3 0.502 4.462 3.960 0.000 0.000 0.295 185 G C -0.649 174.248 174.900 -0.005 0.000 1.132 185 G CA -0.150 44.897 45.100 -0.088 0.000 0.922 185 G HN 0.760 nan 8.290 nan 0.000 0.427 186 V N 2.606 122.530 119.914 0.017 0.000 2.380 186 V HA 0.599 4.719 4.120 0.000 0.000 0.286 186 V C 1.008 177.141 176.094 0.065 0.000 1.015 186 V CA 0.180 62.496 62.300 0.026 0.000 0.834 186 V CB 0.872 32.687 31.823 -0.014 0.000 1.009 186 V HN 1.410 nan 8.190 nan 0.000 0.428 187 G N 3.266 112.112 108.800 0.075 0.000 2.225 187 G HA2 -0.191 3.769 3.960 0.000 0.000 0.267 187 G HA3 -0.191 3.769 3.960 0.000 0.000 0.267 187 G C 0.167 175.110 174.900 0.071 0.000 1.024 187 G CA 0.567 45.704 45.100 0.062 0.000 0.784 187 G HN 0.580 nan 8.290 nan 0.000 0.507 188 E N -0.692 119.575 120.200 0.111 0.000 2.754 188 E HA 0.494 4.845 4.350 0.000 0.000 0.224 188 E C 0.925 177.591 176.600 0.110 0.000 0.851 188 E CA -0.871 55.598 56.400 0.115 0.000 1.047 188 E CB 0.498 30.294 29.700 0.159 0.000 1.584 188 E HN 0.413 nan 8.360 nan 0.000 0.429 189 R N 0.180 120.745 120.500 0.108 0.000 2.308 189 R HA 0.266 4.606 4.340 0.000 0.000 0.305 189 R C 1.118 177.453 176.300 0.059 0.000 1.053 189 R CA -0.029 56.115 56.100 0.073 0.000 0.957 189 R CB 0.446 30.784 30.300 0.062 0.000 1.022 189 R HN 0.381 nan 8.270 nan 0.000 0.461 190 T N 2.093 116.660 114.554 0.022 0.000 2.746 190 T HA -0.195 4.155 4.350 0.000 0.000 0.267 190 T C 1.785 176.452 174.700 -0.055 0.000 1.039 190 T CA 1.352 63.431 62.100 -0.036 0.000 1.142 190 T CB -0.156 68.691 68.868 -0.035 0.000 0.866 190 T HN 0.571 nan 8.240 nan 0.000 0.444 191 R N 1.173 121.665 120.500 -0.013 0.000 2.119 191 R HA -0.213 4.127 4.340 0.000 0.000 0.246 191 R C 2.165 178.464 176.300 -0.001 0.000 1.146 191 R CA 2.074 58.173 56.100 -0.001 0.000 0.962 191 R CB -0.206 30.106 30.300 0.020 0.000 0.863 191 R HN 0.523 nan 8.270 nan 0.000 0.442 192 E N -1.073 119.137 120.200 0.017 0.000 2.072 192 E HA -0.119 4.232 4.350 0.000 0.000 0.191 192 E C 1.959 178.543 176.600 -0.026 0.000 0.985 192 E CA 1.034 57.453 56.400 0.031 0.000 0.801 192 E CB -0.244 29.512 29.700 0.093 0.000 0.750 192 E HN 0.631 nan 8.360 nan 0.000 0.452 193 G N 1.239 109.973 108.800 -0.110 0.000 2.440 193 G HA2 -0.369 3.591 3.960 0.000 0.000 0.218 193 G HA3 -0.369 3.591 3.960 0.000 0.000 0.218 193 G C 1.409 176.122 174.900 -0.311 0.000 1.154 193 G CA 1.235 46.075 45.100 -0.433 0.000 0.767 193 G HN 0.222 nan 8.290 nan 0.000 0.552 194 N N 0.397 119.000 118.700 -0.162 0.000 2.142 194 N HA -0.088 4.652 4.740 0.000 0.000 0.186 194 N C 1.725 177.309 175.510 0.123 0.000 1.023 194 N CA 1.502 54.560 53.050 0.012 0.000 0.852 194 N CB -0.084 38.433 38.487 0.050 0.000 0.998 194 N HN 0.131 nan 8.380 nan 0.000 0.424 195 D N 0.300 120.731 120.400 0.052 0.000 2.106 195 D HA -0.176 4.464 4.640 0.000 0.000 0.191 195 D C 1.895 178.212 176.300 0.029 0.000 0.997 195 D CA 0.818 54.849 54.000 0.051 0.000 0.834 195 D CB -0.622 40.192 40.800 0.023 0.000 0.956 195 D HN 0.248 nan 8.370 nan 0.000 0.448 196 L N -0.082 121.121 121.223 -0.033 0.000 2.017 196 L HA -0.190 4.150 4.340 0.000 0.000 0.208 196 L C 2.256 179.097 176.870 -0.050 0.000 1.073 196 L CA 1.542 56.325 54.840 -0.095 0.000 0.745 196 L CB -0.974 40.944 42.059 -0.235 0.000 0.894 196 L HN 0.049 nan 8.230 nan 0.000 0.432 197 Y N -0.169 120.019 120.300 -0.187 0.000 2.114 197 Y HA -0.310 4.240 4.550 0.000 0.000 0.282 197 Y C 2.736 178.469 175.900 -0.278 0.000 1.165 197 Y CA 2.330 60.285 58.100 -0.242 0.000 1.148 197 Y CB -0.464 37.789 38.460 -0.346 0.000 0.972 197 Y HN 0.408 nan 8.280 nan 0.000 0.504 198 H N -0.500 118.507 119.070 -0.105 0.000 2.470 198 H HA -0.037 4.519 4.556 0.000 0.000 0.289 198 H C 1.994 177.234 175.328 -0.148 0.000 1.033 198 H CA 1.473 57.411 56.048 -0.183 0.000 1.331 198 H CB -0.010 29.701 29.762 -0.084 0.000 1.414 198 H HN 0.545 nan 8.280 nan 0.000 0.545 199 E N 0.285 120.476 120.200 -0.016 0.000 2.106 199 E HA -0.084 4.266 4.350 0.000 0.000 0.192 199 E C 2.016 178.570 176.600 -0.077 0.000 0.984 199 E CA 0.674 57.048 56.400 -0.043 0.000 0.806 199 E CB 0.097 29.769 29.700 -0.046 0.000 0.750 199 E HN 0.353 nan 8.360 nan 0.000 0.458 200 M N -0.109 119.424 119.600 -0.111 0.000 2.447 200 M HA -0.003 4.477 4.480 0.000 0.000 0.264 200 M C 1.977 178.194 176.300 -0.138 0.000 1.095 200 M CA 0.768 56.001 55.300 -0.111 0.000 1.125 200 M CB 0.156 32.698 32.600 -0.096 0.000 1.389 200 M HN 0.118 nan 8.290 nan 0.000 0.459 201 I N -0.071 120.369 120.570 -0.218 0.000 2.233 201 I HA -0.236 3.934 4.170 0.000 0.000 0.243 201 I C 2.427 178.477 176.117 -0.111 0.000 1.093 201 I CA 1.120 62.295 61.300 -0.208 0.000 1.380 201 I CB -0.269 37.539 38.000 -0.319 0.000 1.067 201 I HN 0.223 nan 8.210 nan 0.000 0.413 202 E N 1.206 121.356 120.200 -0.084 0.000 2.118 202 E HA -0.220 4.130 4.350 0.000 0.000 0.195 202 E C 2.109 178.681 176.600 -0.047 0.000 0.992 202 E CA 1.841 58.209 56.400 -0.053 0.000 0.804 202 E CB -0.115 29.562 29.700 -0.039 0.000 0.741 202 E HN 0.474 nan 8.360 nan 0.000 0.458 203 S N -1.946 113.723 115.700 -0.052 0.000 2.558 203 S HA 0.235 4.705 4.470 0.000 0.000 0.217 203 S C 1.698 176.278 174.600 -0.033 0.000 0.975 203 S CA 0.535 58.712 58.200 -0.039 0.000 0.912 203 S CB 0.217 63.394 63.200 -0.039 0.000 0.776 203 S HN 0.522 nan 8.310 nan 0.000 0.526 204 G N 0.583 109.358 108.800 -0.041 0.000 2.199 204 G HA2 -0.323 3.637 3.960 0.000 0.000 0.254 204 G HA3 -0.323 3.637 3.960 0.000 0.000 0.254 204 G C 0.805 175.692 174.900 -0.021 0.000 0.982 204 G CA 0.269 45.350 45.100 -0.031 0.000 0.632 204 G HN 0.656 nan 8.290 nan 0.000 0.529 205 V N 0.600 120.501 119.914 -0.021 0.000 2.490 205 V HA 0.074 4.194 4.120 0.000 0.000 0.250 205 V C 1.687 177.777 176.094 -0.007 0.000 1.061 205 V CA 1.886 64.184 62.300 -0.002 0.000 1.064 205 V CB -0.262 31.560 31.823 -0.001 0.000 0.670 205 V HN 0.528 nan 8.190 nan 0.000 0.461 206 I N 0.771 121.318 120.570 -0.039 0.000 2.412 206 I HA 0.369 4.539 4.170 0.000 0.000 0.296 206 I C -0.283 175.798 176.117 -0.059 0.000 0.987 206 I CA -0.206 61.066 61.300 -0.046 0.000 1.180 206 I CB 1.549 39.498 38.000 -0.087 0.000 1.340 206 I HN 0.135 nan 8.210 nan 0.000 0.455 207 N N 6.373 125.052 118.700 -0.036 0.000 2.461 207 N HA 0.338 5.079 4.740 0.000 0.000 0.284 207 N C -0.025 175.472 175.510 -0.022 0.000 1.049 207 N CA -0.429 52.602 53.050 -0.032 0.000 0.889 207 N CB 1.977 40.456 38.487 -0.014 0.000 1.365 207 N HN 0.558 nan 8.380 nan 0.000 0.499 208 L N 2.074 123.280 121.223 -0.030 0.000 2.599 208 L HA 0.132 4.472 4.340 0.000 0.000 0.230 208 L C 1.611 178.480 176.870 -0.001 0.000 1.141 208 L CA 0.404 55.238 54.840 -0.011 0.000 0.877 208 L CB 0.007 42.057 42.059 -0.015 0.000 1.009 208 L HN 0.280 nan 8.230 nan 0.000 0.447 209 K N 0.065 120.462 120.400 -0.005 0.000 2.286 209 K HA 0.119 4.439 4.320 0.000 0.000 0.203 209 K C 0.571 177.172 176.600 0.002 0.000 1.078 209 K CA 0.617 56.904 56.287 -0.001 0.000 0.957 209 K CB 0.183 32.681 32.500 -0.004 0.000 1.018 209 K HN 0.372 nan 8.250 nan 0.000 0.484 210 D N -0.904 119.497 120.400 0.002 0.000 2.494 210 D HA 0.381 5.022 4.640 0.000 0.000 0.256 210 D C 0.195 176.500 176.300 0.008 0.000 1.197 210 D CA -0.485 53.518 54.000 0.006 0.000 1.096 210 D CB 0.131 40.935 40.800 0.006 0.000 1.191 210 D HN -0.080 nan 8.370 nan 0.000 0.608 211 A N -1.057 121.770 122.820 0.012 0.000 2.609 211 A HA 0.286 4.606 4.320 0.000 0.000 0.286 211 A C 0.952 178.549 177.584 0.022 0.000 1.138 211 A CA 0.222 52.268 52.037 0.014 0.000 0.960 211 A CB -0.612 18.399 19.000 0.018 0.000 1.208 211 A HN 0.531 nan 8.150 nan 0.000 0.541 212 T N -1.566 113.001 114.554 0.022 0.000 3.324 212 T HA 0.190 4.540 4.350 0.000 0.000 0.250 212 T C 0.460 175.178 174.700 0.031 0.000 1.059 212 T CA 0.209 62.330 62.100 0.034 0.000 0.951 212 T CB -0.658 68.226 68.868 0.027 0.000 1.030 212 T HN 0.105 nan 8.240 nan 0.000 0.576 213 S N 1.610 117.318 115.700 0.013 0.000 2.533 213 S HA 0.215 4.685 4.470 0.000 0.000 0.282 213 S C 1.058 175.659 174.600 0.003 0.000 1.304 213 S CA -0.489 57.714 58.200 0.005 0.000 1.063 213 S CB 0.880 64.077 63.200 -0.006 0.000 0.881 213 S HN 0.454 nan 8.310 nan 0.000 0.493 214 K N 1.403 121.826 120.400 0.038 0.000 2.355 214 K HA 0.197 4.518 4.320 0.000 0.000 0.198 214 K C -0.542 176.097 176.600 0.065 0.000 1.039 214 K CA 0.271 56.620 56.287 0.103 0.000 1.075 214 K CB 0.660 33.251 32.500 0.152 0.000 0.870 214 K HN 0.391 nan 8.250 nan 0.000 0.540 215 V N 1.012 120.946 119.914 0.033 0.000 2.656 215 V HA 0.537 4.657 4.120 0.000 0.000 0.307 215 V C -0.592 175.540 176.094 0.063 0.000 1.051 215 V CA -1.274 61.065 62.300 0.066 0.000 0.893 215 V CB 1.596 33.476 31.823 0.095 0.000 0.999 215 V HN 0.053 nan 8.190 nan 0.000 0.426 216 A N 5.136 128.016 122.820 0.099 0.000 2.317 216 A HA 0.921 5.241 4.320 0.000 0.000 0.327 216 A C -0.845 176.828 177.584 0.148 0.000 1.178 216 A CA -0.568 51.543 52.037 0.124 0.000 0.817 216 A CB 0.878 19.983 19.000 0.174 0.000 1.189 216 A HN 0.830 nan 8.150 nan 0.000 0.489 217 L N 2.783 124.089 121.223 0.139 0.000 2.333 217 L HA 0.555 4.896 4.340 0.000 0.000 0.280 217 L C -1.008 175.916 176.870 0.091 0.000 1.004 217 L CA -0.845 54.089 54.840 0.157 0.000 0.820 217 L CB 1.839 44.058 42.059 0.268 0.000 1.247 217 L HN 0.425 nan 8.230 nan 0.000 0.416 218 V N 3.243 123.136 119.914 -0.036 0.000 2.448 218 V HA 0.445 4.566 4.120 0.000 0.000 0.295 218 V C -1.094 174.869 176.094 -0.218 0.000 1.025 218 V CA -0.635 61.631 62.300 -0.057 0.000 0.859 218 V CB 1.619 33.406 31.823 -0.060 0.000 0.988 218 V HN 0.440 nan 8.190 nan 0.000 0.431 219 Y N 1.772 122.101 120.300 0.048 0.000 2.361 219 Y HA 0.734 5.284 4.550 0.000 0.000 0.337 219 Y C 0.577 176.495 175.900 0.029 0.000 0.965 219 Y CA -0.617 57.514 58.100 0.052 0.000 1.091 219 Y CB 2.700 41.181 38.460 0.035 0.000 1.182 219 Y HN 0.720 nan 8.280 nan 0.000 0.450 220 G N 4.004 112.910 108.800 0.178 0.000 3.191 220 G HA2 0.335 4.295 3.960 0.000 0.000 0.309 220 G HA3 0.335 4.295 3.960 0.000 0.000 0.309 220 G C -1.030 173.941 174.900 0.119 0.000 1.596 220 G CA -0.546 44.623 45.100 0.115 0.000 0.955 220 G HN 0.320 nan 8.290 nan 0.000 0.508 221 Q N 1.181 121.060 119.800 0.131 0.000 2.162 221 Q HA 0.291 4.631 4.340 0.000 0.000 0.197 221 Q C 1.981 178.023 176.000 0.070 0.000 1.013 221 Q CA -0.828 55.048 55.803 0.122 0.000 1.040 221 Q CB 0.931 29.748 28.738 0.131 0.000 1.114 221 Q HN 0.734 nan 8.270 nan 0.000 0.547 222 M N -0.198 119.437 119.600 0.058 0.000 2.700 222 M HA -0.045 4.435 4.480 0.000 0.000 0.249 222 M C 0.680 176.995 176.300 0.024 0.000 1.082 222 M CA 1.186 56.507 55.300 0.034 0.000 1.077 222 M CB -0.387 32.228 32.600 0.026 0.000 1.477 222 M HN 0.344 nan 8.290 nan 0.000 0.529 223 N N 0.189 118.905 118.700 0.026 0.000 2.398 223 N HA 0.022 4.762 4.740 0.000 0.000 0.188 223 N C -0.328 175.192 175.510 0.017 0.000 1.122 223 N CA 0.335 53.395 53.050 0.018 0.000 0.866 223 N CB -0.148 38.348 38.487 0.014 0.000 0.970 223 N HN 0.404 nan 8.380 nan 0.000 0.462 224 E N 2.118 122.331 120.200 0.023 0.000 2.277 224 E HA 0.336 4.686 4.350 0.000 0.000 0.274 224 E C -2.172 174.436 176.600 0.013 0.000 1.022 224 E CA -2.055 54.357 56.400 0.021 0.000 0.853 224 E CB 1.156 30.875 29.700 0.031 0.000 1.086 224 E HN 0.222 nan 8.360 nan 0.000 0.397 225 P HA 0.029 nan 4.420 nan 0.000 0.271 225 P C -1.981 175.318 177.300 -0.002 0.000 1.233 225 P CA -0.982 62.120 63.100 0.003 0.000 0.789 225 P CB 0.211 31.913 31.700 0.004 0.000 0.951 226 P HA -0.122 nan 4.420 nan 0.000 0.221 226 P C 1.649 178.934 177.300 -0.025 0.000 1.150 226 P CA 1.614 64.698 63.100 -0.027 0.000 0.800 226 P CB -0.588 31.089 31.700 -0.038 0.000 0.787 227 G N 0.705 109.498 108.800 -0.011 0.000 2.422 227 G HA2 -0.218 3.742 3.960 0.000 0.000 0.218 227 G HA3 -0.218 3.742 3.960 0.000 0.000 0.218 227 G C 1.796 176.704 174.900 0.012 0.000 1.146 227 G CA 1.017 46.117 45.100 -0.000 0.000 0.769 227 G HN 0.355 nan 8.290 nan 0.000 0.547 228 A N 0.864 123.693 122.820 0.015 0.000 1.873 228 A HA 0.026 4.346 4.320 0.000 0.000 0.215 228 A C 2.426 180.026 177.584 0.027 0.000 1.186 228 A CA 1.489 53.541 52.037 0.024 0.000 0.616 228 A CB -0.361 18.654 19.000 0.025 0.000 0.823 228 A HN 0.344 nan 8.150 nan 0.000 0.442 229 R N -0.538 119.972 120.500 0.017 0.000 2.148 229 R HA -0.009 4.331 4.340 0.000 0.000 0.227 229 R C 2.105 178.426 176.300 0.034 0.000 1.103 229 R CA 0.964 57.077 56.100 0.021 0.000 0.983 229 R CB -0.316 29.985 30.300 0.001 0.000 0.874 229 R HN 0.502 nan 8.270 nan 0.000 0.451 230 A N 0.359 123.183 122.820 0.007 0.000 2.169 230 A HA 0.032 4.352 4.320 0.000 0.000 0.212 230 A C 1.701 179.380 177.584 0.157 0.000 1.153 230 A CA 0.616 52.648 52.037 -0.009 0.000 0.756 230 A CB 0.212 19.142 19.000 -0.117 0.000 0.813 230 A HN 0.027 nan 8.150 nan 0.000 0.471 231 R N -1.690 118.874 120.500 0.106 0.000 2.369 231 R HA 0.143 4.483 4.340 0.000 0.000 0.210 231 R C 1.705 178.023 176.300 0.031 0.000 0.881 231 R CA 0.835 56.984 56.100 0.083 0.000 1.031 231 R CB -0.948 29.381 30.300 0.049 0.000 1.184 231 R HN 0.334 nan 8.270 nan 0.000 0.581 232 V N 1.460 121.395 119.914 0.034 0.000 2.626 232 V HA -0.108 4.012 4.120 0.000 0.000 0.252 232 V C 2.031 178.099 176.094 -0.043 0.000 1.067 232 V CA 1.993 64.292 62.300 -0.002 0.000 1.081 232 V CB -0.308 31.522 31.823 0.012 0.000 0.686 232 V HN 0.271 nan 8.190 nan 0.000 0.468 233 A N -0.267 122.529 122.820 -0.040 0.000 1.972 233 A HA -0.080 4.240 4.320 0.000 0.000 0.219 233 A C 2.106 179.590 177.584 -0.167 0.000 1.169 233 A CA 1.809 53.769 52.037 -0.129 0.000 0.635 233 A CB -0.432 18.458 19.000 -0.184 0.000 0.810 233 A HN 0.583 nan 8.150 nan 0.000 0.446 234 L N -0.910 120.223 121.223 -0.148 0.000 2.109 234 L HA -0.123 4.218 4.340 0.000 0.000 0.207 234 L C 2.706 179.493 176.870 -0.140 0.000 1.086 234 L CA 1.687 56.421 54.840 -0.176 0.000 0.760 234 L CB -1.305 40.619 42.059 -0.224 0.000 0.910 234 L HN 0.329 nan 8.230 nan 0.000 0.437 235 T N 0.151 114.641 114.554 -0.107 0.000 2.684 235 T HA -0.156 4.194 4.350 0.000 0.000 0.267 235 T C 1.871 176.525 174.700 -0.076 0.000 1.036 235 T CA 1.584 63.638 62.100 -0.078 0.000 1.148 235 T CB -0.595 68.244 68.868 -0.049 0.000 0.863 235 T HN 0.551 nan 8.240 nan 0.000 0.436 236 G N 1.549 110.298 108.800 -0.086 0.000 2.402 236 G HA2 -0.113 3.847 3.960 0.000 0.000 0.216 236 G HA3 -0.113 3.847 3.960 0.000 0.000 0.216 236 G C 1.578 176.436 174.900 -0.070 0.000 1.162 236 G CA 0.977 46.030 45.100 -0.078 0.000 0.777 236 G HN 0.507 nan 8.290 nan 0.000 0.539 237 L N 0.621 121.783 121.223 -0.101 0.000 2.083 237 L HA 0.039 4.379 4.340 0.000 0.000 0.209 237 L C 2.587 179.420 176.870 -0.062 0.000 1.083 237 L CA 2.688 57.471 54.840 -0.095 0.000 0.752 237 L CB -1.062 40.912 42.059 -0.141 0.000 0.899 237 L HN 0.097 nan 8.230 nan 0.000 0.433 238 T N -0.486 114.026 114.554 -0.069 0.000 2.746 238 T HA -0.154 4.196 4.350 0.000 0.000 0.267 238 T C 1.970 176.641 174.700 -0.048 0.000 1.039 238 T CA 1.754 63.822 62.100 -0.053 0.000 1.142 238 T CB -0.426 68.403 68.868 -0.065 0.000 0.866 238 T HN 0.251 nan 8.240 nan 0.000 0.444 239 V N 1.612 121.490 119.914 -0.060 0.000 2.343 239 V HA -0.185 3.935 4.120 0.000 0.000 0.247 239 V C 2.843 178.933 176.094 -0.006 0.000 1.051 239 V CA 1.799 64.043 62.300 -0.094 0.000 1.036 239 V CB -1.131 30.675 31.823 -0.027 0.000 0.654 239 V HN 0.535 nan 8.190 nan 0.000 0.451 240 A N -0.641 122.236 122.820 0.095 0.000 1.929 240 A HA -0.201 4.119 4.320 0.000 0.000 0.216 240 A C 2.155 179.823 177.584 0.140 0.000 1.176 240 A CA 1.597 53.750 52.037 0.194 0.000 0.628 240 A CB -0.445 18.613 19.000 0.096 0.000 0.816 240 A HN 0.605 nan 8.150 nan 0.000 0.444 241 E N -1.430 118.802 120.200 0.052 0.000 2.070 241 E HA -0.260 4.090 4.350 0.000 0.000 0.197 241 E C 1.835 178.453 176.600 0.030 0.000 1.004 241 E CA 1.694 58.111 56.400 0.028 0.000 0.805 241 E CB -0.368 29.333 29.700 0.003 0.000 0.744 241 E HN 0.806 nan 8.360 nan 0.000 0.451 242 Y N 0.405 120.633 120.300 -0.121 0.000 2.128 242 Y HA -0.275 4.276 4.550 0.000 0.000 0.284 242 Y C 1.896 177.730 175.900 -0.110 0.000 1.154 242 Y CA 1.753 59.742 58.100 -0.186 0.000 1.149 242 Y CB -0.431 37.808 38.460 -0.368 0.000 0.976 242 Y HN -0.023 nan 8.280 nan 0.000 0.505 243 F N 0.108 120.177 119.950 0.198 0.000 2.126 243 F HA -0.222 4.305 4.527 0.000 0.000 0.299 243 F C 2.811 178.619 175.800 0.013 0.000 1.096 243 F CA 1.547 59.639 58.000 0.154 0.000 1.255 243 F CB -0.433 38.740 39.000 0.288 0.000 0.997 243 F HN -0.044 nan 8.300 nan 0.000 0.479 244 R N 0.424 121.031 120.500 0.179 0.000 2.091 244 R HA -0.176 4.164 4.340 0.000 0.000 0.238 244 R C 1.334 177.627 176.300 -0.011 0.000 1.136 244 R CA 2.190 58.331 56.100 0.068 0.000 0.959 244 R CB -0.225 30.100 30.300 0.041 0.000 0.856 244 R HN 0.210 nan 8.270 nan 0.000 0.437 245 D N -0.705 119.651 120.400 -0.074 0.000 2.414 245 D HA -0.023 4.617 4.640 0.000 0.000 0.237 245 D C 1.566 177.759 176.300 -0.178 0.000 0.975 245 D CA 0.650 54.585 54.000 -0.109 0.000 0.917 245 D CB -0.036 40.705 40.800 -0.098 0.000 1.061 245 D HN 0.088 nan 8.370 nan 0.000 0.480 246 Q N 0.316 119.895 119.800 -0.369 0.000 2.403 246 Q HA 0.105 4.445 4.340 0.000 0.000 0.203 246 Q C 0.302 176.095 176.000 -0.344 0.000 0.932 246 Q CA 0.448 55.975 55.803 -0.460 0.000 0.945 246 Q CB 0.817 29.024 28.738 -0.885 0.000 1.045 246 Q HN 0.406 nan 8.270 nan 0.000 0.511 247 E N -1.262 118.819 120.200 -0.198 0.000 2.789 247 E HA 0.178 4.528 4.350 0.000 0.000 0.217 247 E C 0.419 177.009 176.600 -0.017 0.000 0.970 247 E CA 0.116 56.498 56.400 -0.031 0.000 1.201 247 E CB 0.955 30.737 29.700 0.137 0.000 1.069 247 E HN 0.320 nan 8.360 nan 0.000 0.499 248 G N 1.923 110.698 108.800 -0.043 0.000 2.380 248 G HA2 -0.330 3.630 3.960 0.000 0.000 0.298 248 G HA3 -0.330 3.630 3.960 0.000 0.000 0.298 248 G C 0.425 175.315 174.900 -0.017 0.000 0.989 248 G CA 0.735 45.816 45.100 -0.031 0.000 0.836 248 G HN 0.115 nan 8.290 nan 0.000 0.511 249 Q N -0.192 119.614 119.800 0.010 0.000 2.249 249 Q HA 0.461 4.801 4.340 0.000 0.000 0.226 249 Q C -0.164 175.836 176.000 0.000 0.000 0.983 249 Q CA -0.744 55.053 55.803 -0.011 0.000 0.930 249 Q CB 0.629 29.362 28.738 -0.009 0.000 1.193 249 Q HN 0.275 nan 8.270 nan 0.000 0.508 250 D N 0.021 120.402 120.400 -0.031 0.000 2.316 250 D HA 0.335 4.975 4.640 0.000 0.000 0.245 250 D C -1.055 175.319 176.300 0.125 0.000 1.171 250 D CA 0.041 54.061 54.000 0.035 0.000 0.856 250 D CB 0.692 41.502 40.800 0.017 0.000 1.090 250 D HN 0.047 nan 8.370 nan 0.000 0.476 251 V N 3.673 123.644 119.914 0.095 0.000 2.680 251 V HA 0.420 4.540 4.120 0.000 0.000 0.309 251 V C -0.010 176.037 176.094 -0.077 0.000 1.052 251 V CA -0.923 61.419 62.300 0.069 0.000 0.908 251 V CB 1.860 33.744 31.823 0.102 0.000 1.001 251 V HN 0.353 nan 8.190 nan 0.000 0.431 252 L N 4.911 126.027 121.223 -0.177 0.000 2.287 252 L HA 0.562 4.903 4.340 0.000 0.000 0.287 252 L C -0.855 175.841 176.870 -0.290 0.000 1.022 252 L CA -0.565 54.069 54.840 -0.343 0.000 0.814 252 L CB 1.579 43.405 42.059 -0.387 0.000 1.217 252 L HN 0.444 nan 8.230 nan 0.000 0.420 253 L N 4.336 125.296 121.223 -0.438 0.000 2.298 253 L HA 0.563 4.903 4.340 0.000 0.000 0.284 253 L C -1.184 175.350 176.870 -0.561 0.000 1.013 253 L CA 0.125 54.766 54.840 -0.331 0.000 0.824 253 L CB 0.979 42.912 42.059 -0.210 0.000 1.221 253 L HN 0.194 nan 8.230 nan 0.000 0.418 254 F N 6.013 125.855 119.950 -0.180 0.000 2.444 254 F HA 0.609 5.136 4.527 0.000 0.000 0.342 254 F C 0.031 175.491 175.800 -0.567 0.000 1.121 254 F CA -0.511 57.315 58.000 -0.291 0.000 0.997 254 F CB 1.374 40.287 39.000 -0.144 0.000 1.130 254 F HN 0.227 nan 8.300 nan 0.000 0.454 255 I N 2.750 123.131 120.570 -0.315 0.000 2.466 255 I HA 0.344 4.514 4.170 0.000 0.000 0.289 255 I C -1.356 174.586 176.117 -0.291 0.000 1.026 255 I CA -0.604 60.459 61.300 -0.394 0.000 1.078 255 I CB 2.078 39.914 38.000 -0.272 0.000 1.249 255 I HN 0.420 nan 8.210 nan 0.000 0.429 256 D N 5.865 126.076 120.400 -0.316 0.000 2.476 256 D HA 0.262 4.902 4.640 0.000 0.000 0.251 256 D C -1.396 174.900 176.300 -0.006 0.000 1.291 256 D CA -0.217 53.742 54.000 -0.068 0.000 0.939 256 D CB 1.249 42.108 40.800 0.097 0.000 1.221 256 D HN 0.456 nan 8.370 nan 0.000 0.567 257 N N 4.229 122.946 118.700 0.028 0.000 2.352 257 N HA 0.167 4.907 4.740 0.000 0.000 0.291 257 N C 0.478 176.024 175.510 0.060 0.000 1.040 257 N CA -0.499 52.581 53.050 0.051 0.000 0.864 257 N CB 1.663 40.227 38.487 0.130 0.000 1.440 257 N HN 0.323 nan 8.380 nan 0.000 0.483 258 I N 3.978 124.555 120.570 0.012 0.000 2.756 258 I HA -0.057 4.113 4.170 0.000 0.000 0.262 258 I C 1.648 177.838 176.117 0.121 0.000 1.225 258 I CA 0.671 61.971 61.300 -0.000 0.000 1.472 258 I CB -0.487 37.448 38.000 -0.108 0.000 1.094 258 I HN 0.617 nan 8.210 nan 0.000 0.454 259 F N 1.576 121.556 119.950 0.050 0.000 2.154 259 F HA -0.245 4.282 4.527 0.000 0.000 0.301 259 F C 2.303 178.185 175.800 0.137 0.000 1.087 259 F CA 1.604 59.676 58.000 0.120 0.000 1.274 259 F CB -0.351 38.766 39.000 0.194 0.000 1.009 259 F HN -0.008 nan 8.300 nan 0.000 0.485 260 R N -0.166 120.333 120.500 -0.001 0.000 2.189 260 R HA -0.178 4.162 4.340 0.000 0.000 0.223 260 R C 2.171 178.413 176.300 -0.095 0.000 1.092 260 R CA 1.261 57.297 56.100 -0.105 0.000 0.989 260 R CB -1.585 28.735 30.300 0.034 0.000 0.876 260 R HN 0.502 nan 8.270 nan 0.000 0.457 261 F N 1.658 121.510 119.950 -0.163 0.000 2.146 261 F HA -0.148 4.379 4.527 0.000 0.000 0.298 261 F C 1.963 177.667 175.800 -0.160 0.000 1.096 261 F CA 1.522 59.441 58.000 -0.135 0.000 1.275 261 F CB -0.268 38.666 39.000 -0.109 0.000 1.008 261 F HN -0.151 nan 8.300 nan 0.000 0.480 262 T N 0.250 114.665 114.554 -0.232 0.000 2.777 262 T HA -0.222 4.128 4.350 0.000 0.000 0.266 262 T C 1.900 176.396 174.700 -0.341 0.000 1.040 262 T CA 1.551 63.456 62.100 -0.325 0.000 1.141 262 T CB -0.382 68.396 68.868 -0.150 0.000 0.868 262 T HN 0.443 nan 8.240 nan 0.000 0.444 263 Q N 0.642 120.106 119.800 -0.560 0.000 2.084 263 Q HA -0.098 4.242 4.340 0.000 0.000 0.202 263 Q C 2.495 178.359 176.000 -0.227 0.000 0.978 263 Q CA 1.489 57.038 55.803 -0.422 0.000 0.844 263 Q CB -0.292 28.093 28.738 -0.589 0.000 0.898 263 Q HN 0.526 nan 8.270 nan 0.000 0.426 264 A N 0.457 123.138 122.820 -0.233 0.000 1.933 264 A HA -0.123 4.197 4.320 0.000 0.000 0.218 264 A C 2.246 179.724 177.584 -0.176 0.000 1.175 264 A CA 1.624 53.562 52.037 -0.165 0.000 0.628 264 A CB -1.252 17.664 19.000 -0.141 0.000 0.814 264 A HN 0.612 nan 8.150 nan 0.000 0.444 265 G N -0.081 108.562 108.800 -0.261 0.000 2.418 265 G HA2 -0.225 3.735 3.960 0.000 0.000 0.217 265 G HA3 -0.225 3.735 3.960 0.000 0.000 0.217 265 G C 1.988 176.817 174.900 -0.118 0.000 1.158 265 G CA 1.807 46.770 45.100 -0.227 0.000 0.771 265 G HN 0.896 nan 8.290 nan 0.000 0.545 266 S N 0.499 116.148 115.700 -0.084 0.000 2.423 266 S HA -0.040 4.430 4.470 0.000 0.000 0.231 266 S C 1.967 176.529 174.600 -0.064 0.000 1.014 266 S CA 1.539 59.713 58.200 -0.044 0.000 0.965 266 S CB -0.301 62.876 63.200 -0.038 0.000 0.785 266 S HN 0.572 nan 8.310 nan 0.000 0.495 267 E N 0.816 120.972 120.200 -0.072 0.000 2.153 267 E HA -0.088 4.262 4.350 0.000 0.000 0.194 267 E C 2.025 178.599 176.600 -0.044 0.000 0.988 267 E CA 1.615 57.981 56.400 -0.056 0.000 0.811 267 E CB -0.237 29.431 29.700 -0.053 0.000 0.746 267 E HN 0.735 nan 8.360 nan 0.000 0.466 268 V N -2.909 116.977 119.914 -0.048 0.000 3.643 268 V HA 0.164 4.284 4.120 0.000 0.000 0.280 268 V C 1.989 178.066 176.094 -0.029 0.000 1.351 268 V CA 0.438 62.717 62.300 -0.035 0.000 1.073 268 V CB 0.811 32.613 31.823 -0.036 0.000 0.863 268 V HN 0.010 nan 8.190 nan 0.000 0.436 269 S N 1.581 117.262 115.700 -0.032 0.000 2.359 269 S HA -0.177 4.294 4.470 0.000 0.000 0.224 269 S C 2.222 176.814 174.600 -0.012 0.000 1.035 269 S CA 2.240 60.427 58.200 -0.020 0.000 1.018 269 S CB -0.443 62.749 63.200 -0.013 0.000 0.876 269 S HN 0.976 nan 8.310 nan 0.000 0.448 270 A N 1.170 123.982 122.820 -0.013 0.000 1.908 270 A HA 0.014 4.335 4.320 0.000 0.000 0.218 270 A C 2.084 179.665 177.584 -0.006 0.000 1.181 270 A CA 1.351 53.383 52.037 -0.009 0.000 0.627 270 A CB -0.728 18.265 19.000 -0.011 0.000 0.818 270 A HN 0.579 nan 8.150 nan 0.000 0.445 271 L N -0.773 120.445 121.223 -0.009 0.000 2.465 271 L HA -0.010 4.330 4.340 0.000 0.000 0.224 271 L C 1.622 178.491 176.870 -0.002 0.000 1.145 271 L CA 0.395 55.232 54.840 -0.005 0.000 0.834 271 L CB -0.272 41.783 42.059 -0.007 0.000 0.944 271 L HN 0.364 nan 8.230 nan 0.000 0.451 272 L N -0.646 120.575 121.223 -0.003 0.000 2.607 272 L HA 0.212 4.552 4.340 0.000 0.000 0.228 272 L C 1.345 178.216 176.870 0.003 0.000 1.123 272 L CA 0.386 55.226 54.840 0.000 0.000 0.890 272 L CB -0.042 42.014 42.059 -0.005 0.000 1.103 272 L HN 0.408 nan 8.230 nan 0.000 0.468 273 G N 0.729 109.530 108.800 0.002 0.000 2.136 273 G HA2 -0.273 3.687 3.960 0.000 0.000 0.242 273 G HA3 -0.273 3.687 3.960 0.000 0.000 0.242 273 G C 0.107 175.010 174.900 0.005 0.000 0.989 273 G CA -0.247 44.855 45.100 0.004 0.000 0.682 273 G HN 0.278 nan 8.290 nan 0.000 0.522 274 R N -0.252 120.250 120.500 0.004 0.000 2.410 274 R HA 0.638 4.978 4.340 0.000 0.000 0.288 274 R C 1.169 177.475 176.300 0.009 0.000 1.051 274 R CA -0.531 55.573 56.100 0.007 0.000 1.021 274 R CB 0.645 30.950 30.300 0.008 0.000 1.032 274 R HN 0.341 nan 8.270 nan 0.000 0.481 275 I N 5.368 125.945 120.570 0.012 0.000 2.648 275 I HA 0.096 4.266 4.170 0.000 0.000 0.284 275 I C -1.551 174.577 176.117 0.019 0.000 1.153 275 I CA -1.530 59.778 61.300 0.013 0.000 1.426 275 I CB 0.644 38.653 38.000 0.015 0.000 1.381 275 I HN 0.374 nan 8.210 nan 0.000 0.571 276 P HA 0.106 nan 4.420 nan 0.000 0.278 276 P C -0.422 176.904 177.300 0.043 0.000 1.238 276 P CA -0.276 62.841 63.100 0.028 0.000 0.794 276 P CB 1.451 33.159 31.700 0.014 0.000 0.955 277 S N 1.374 117.116 115.700 0.070 0.000 2.552 277 S HA 0.579 5.049 4.470 0.000 0.000 0.271 277 S C 0.254 174.912 174.600 0.096 0.000 1.168 277 S CA -0.348 57.901 58.200 0.083 0.000 1.026 277 S CB -0.044 63.216 63.200 0.101 0.000 1.120 277 S HN 0.623 nan 8.310 nan 0.000 0.514 278 A N 0.109 122.995 122.820 0.111 0.000 2.425 278 A HA 0.437 4.757 4.320 0.000 0.000 0.242 278 A C 0.989 178.674 177.584 0.168 0.000 1.077 278 A CA 0.236 52.341 52.037 0.114 0.000 0.781 278 A CB -0.582 18.480 19.000 0.104 0.000 1.020 278 A HN 1.639 nan 8.150 nan 0.000 0.494 279 V N 0.545 120.528 119.914 0.115 0.000 3.525 279 V HA -0.303 3.817 4.120 0.000 0.000 0.200 279 V C 1.657 177.715 176.094 -0.060 0.000 0.451 279 V CA 1.740 64.093 62.300 0.089 0.000 1.037 279 V CB -2.509 29.444 31.823 0.215 0.000 1.164 279 V HN 2.908 nan 8.190 nan 0.000 1.195 280 G N -2.578 106.199 108.800 -0.040 0.000 2.157 280 G HA2 -0.318 3.642 3.960 0.000 0.000 0.248 280 G HA3 -0.318 3.642 3.960 0.000 0.000 0.248 280 G C -0.225 174.575 174.900 -0.167 0.000 0.979 280 G CA 0.261 45.288 45.100 -0.122 0.000 0.650 280 G HN 0.858 nan 8.290 nan 0.000 0.529 281 Y N 1.624 121.946 120.300 0.036 0.000 2.320 281 Y HA 0.448 4.998 4.550 0.000 0.000 0.324 281 Y C 1.334 177.240 175.900 0.009 0.000 1.190 281 Y CA -0.487 57.628 58.100 0.025 0.000 1.215 281 Y CB 0.744 39.231 38.460 0.045 0.000 1.221 281 Y HN 0.374 nan 8.280 nan 0.000 0.486 282 Q N 3.310 123.214 119.800 0.174 0.000 2.310 282 Q HA -0.064 4.276 4.340 0.000 0.000 0.315 282 Q C -2.363 173.691 176.000 0.089 0.000 1.081 282 Q CA -0.871 54.985 55.803 0.089 0.000 0.981 282 Q CB 0.555 29.319 28.738 0.043 0.000 1.184 282 Q HN 0.439 nan 8.270 nan 0.000 0.389 283 P HA -0.086 nan 4.420 nan 0.000 0.222 283 P C 0.877 178.201 177.300 0.040 0.000 1.147 283 P CA 1.563 64.693 63.100 0.050 0.000 0.790 283 P CB 0.004 31.726 31.700 0.036 0.000 0.780 284 T N -3.961 110.613 114.554 0.033 0.000 3.235 284 T HA 0.146 4.496 4.350 0.000 0.000 0.251 284 T C 1.450 176.169 174.700 0.031 0.000 1.060 284 T CA -0.265 61.852 62.100 0.028 0.000 0.949 284 T CB -1.045 67.833 68.868 0.017 0.000 1.020 284 T HN -0.013 nan 8.240 nan 0.000 0.564 285 L N 0.918 122.158 121.223 0.029 0.000 2.021 285 L HA -0.128 4.212 4.340 0.000 0.000 0.215 285 L C 2.783 179.678 176.870 0.042 0.000 1.074 285 L CA 2.065 56.911 54.840 0.011 0.000 0.760 285 L CB -0.641 41.394 42.059 -0.041 0.000 0.889 285 L HN 0.426 nan 8.230 nan 0.000 0.433 286 A N -1.125 121.727 122.820 0.053 0.000 1.930 286 A HA -0.150 4.170 4.320 0.000 0.000 0.215 286 A C 2.289 179.937 177.584 0.106 0.000 1.176 286 A CA 1.712 53.803 52.037 0.089 0.000 0.632 286 A CB -0.931 18.115 19.000 0.076 0.000 0.819 286 A HN 0.624 nan 8.150 nan 0.000 0.445 287 T N -2.352 112.250 114.554 0.080 0.000 2.896 287 T HA -0.096 4.254 4.350 0.000 0.000 0.263 287 T C 1.333 176.090 174.700 0.094 0.000 1.050 287 T CA 1.275 63.422 62.100 0.079 0.000 1.140 287 T CB -0.413 68.488 68.868 0.055 0.000 0.877 287 T HN 0.282 nan 8.240 nan 0.000 0.457 288 D N 0.967 121.428 120.400 0.103 0.000 2.123 288 D HA -0.055 4.585 4.640 0.000 0.000 0.196 288 D C 1.931 178.383 176.300 0.255 0.000 0.992 288 D CA 1.053 55.155 54.000 0.170 0.000 0.833 288 D CB -0.348 40.517 40.800 0.108 0.000 0.954 288 D HN 0.381 nan 8.370 nan 0.000 0.455 289 M N 0.044 119.758 119.600 0.189 0.000 2.200 289 M HA -0.025 4.456 4.480 0.000 0.000 0.265 289 M C 2.015 178.255 176.300 -0.100 0.000 1.066 289 M CA 1.589 56.940 55.300 0.083 0.000 1.127 289 M CB -0.068 32.572 32.600 0.067 0.000 1.379 289 M HN 0.019 nan 8.290 nan 0.000 0.420 290 G N -0.371 108.452 108.800 0.039 0.000 2.433 290 G HA2 -0.276 3.684 3.960 0.000 0.000 0.216 290 G HA3 -0.276 3.684 3.960 0.000 0.000 0.216 290 G C 1.412 176.324 174.900 0.019 0.000 1.186 290 G CA 1.590 46.745 45.100 0.091 0.000 0.779 290 G HN 0.568 nan 8.290 nan 0.000 0.543 291 T N -1.956 112.617 114.554 0.032 0.000 2.962 291 T HA 0.023 4.373 4.350 0.000 0.000 0.270 291 T C 2.149 176.831 174.700 -0.030 0.000 1.088 291 T CA 1.472 63.587 62.100 0.025 0.000 1.127 291 T CB -0.065 68.838 68.868 0.058 0.000 0.883 291 T HN 0.155 nan 8.240 nan 0.000 0.493 292 M N 0.283 119.820 119.600 -0.105 0.000 2.171 292 M HA 0.064 4.544 4.480 0.000 0.000 0.260 292 M C 2.267 178.407 176.300 -0.267 0.000 1.087 292 M CA 1.295 56.443 55.300 -0.253 0.000 1.154 292 M CB -0.570 31.691 32.600 -0.564 0.000 1.331 292 M HN 0.153 nan 8.290 nan 0.000 0.431 293 Q N 0.665 120.270 119.800 -0.324 0.000 2.124 293 Q HA -0.145 4.195 4.340 0.000 0.000 0.202 293 Q C 1.714 177.623 176.000 -0.151 0.000 0.977 293 Q CA 1.252 56.856 55.803 -0.332 0.000 0.850 293 Q CB -0.429 27.895 28.738 -0.689 0.000 0.901 293 Q HN 0.558 nan 8.270 nan 0.000 0.429 294 E N 0.312 120.468 120.200 -0.073 0.000 2.409 294 E HA -0.100 4.250 4.350 0.000 0.000 0.198 294 E C 1.728 178.318 176.600 -0.016 0.000 1.024 294 E CA 0.376 56.782 56.400 0.010 0.000 0.861 294 E CB 0.035 29.768 29.700 0.055 0.000 0.788 294 E HN 0.328 nan 8.360 nan 0.000 0.521 295 R N 0.022 120.489 120.500 -0.055 0.000 2.200 295 R HA 0.157 4.497 4.340 0.000 0.000 0.208 295 R C 0.908 177.167 176.300 -0.068 0.000 1.033 295 R CA 0.213 56.280 56.100 -0.055 0.000 1.000 295 R CB 0.208 30.466 30.300 -0.070 0.000 0.906 295 R HN 0.056 nan 8.270 nan 0.000 0.462 296 I N 1.730 122.244 120.570 -0.094 0.000 2.260 296 I HA 0.072 4.242 4.170 0.000 0.000 0.297 296 I C -0.063 176.011 176.117 -0.072 0.000 1.143 296 I CA 0.244 61.483 61.300 -0.102 0.000 1.271 296 I CB 0.681 38.593 38.000 -0.147 0.000 1.461 296 I HN -0.071 nan 8.210 nan 0.000 0.530 297 T N 2.899 117.419 114.554 -0.056 0.000 2.893 297 T HA 0.197 4.547 4.350 0.000 0.000 0.337 297 T C -0.387 174.291 174.700 -0.036 0.000 1.587 297 T CA -0.421 61.655 62.100 -0.039 0.000 1.066 297 T CB 1.481 70.338 68.868 -0.018 0.000 1.414 297 T HN 0.338 nan 8.240 nan 0.000 0.488 298 T N 3.682 118.216 114.554 -0.034 0.000 2.919 298 T HA 0.549 4.899 4.350 0.000 0.000 0.302 298 T C 0.613 175.294 174.700 -0.032 0.000 1.031 298 T CA 0.063 62.145 62.100 -0.031 0.000 1.127 298 T CB 0.599 69.449 68.868 -0.030 0.000 0.952 298 T HN 0.878 nan 8.240 nan 0.000 0.540 299 T N 0.038 114.573 114.554 -0.032 0.000 2.773 299 T HA 0.476 4.826 4.350 0.000 0.000 0.278 299 T C 1.070 175.745 174.700 -0.041 0.000 1.011 299 T CA -1.060 61.017 62.100 -0.039 0.000 1.014 299 T CB 1.382 70.230 68.868 -0.034 0.000 1.293 299 T HN 0.386 nan 8.240 nan 0.000 0.554 300 K N 0.056 120.427 120.400 -0.048 0.000 2.211 300 K HA 0.014 4.334 4.320 0.000 0.000 0.203 300 K C 2.175 178.754 176.600 -0.036 0.000 1.050 300 K CA 0.888 57.148 56.287 -0.044 0.000 0.945 300 K CB -0.056 32.414 32.500 -0.050 0.000 0.732 300 K HN 0.447 nan 8.250 nan 0.000 0.451 301 K N 0.065 120.445 120.400 -0.034 0.000 2.155 301 K HA -0.021 4.299 4.320 0.000 0.000 0.203 301 K C 0.971 177.554 176.600 -0.029 0.000 1.052 301 K CA 0.889 57.156 56.287 -0.033 0.000 0.948 301 K CB 0.306 32.785 32.500 -0.035 0.000 0.728 301 K HN 0.199 nan 8.250 nan 0.000 0.448 302 G N -0.151 108.635 108.800 -0.025 0.000 2.601 302 G HA2 0.210 4.171 3.960 0.000 0.000 0.291 302 G HA3 0.210 4.171 3.960 0.000 0.000 0.291 302 G C -1.701 173.192 174.900 -0.013 0.000 1.456 302 G CA -0.596 44.494 45.100 -0.016 0.000 0.804 302 G HN -0.032 nan 8.290 nan 0.000 0.499 303 S N -0.653 115.043 115.700 -0.006 0.000 2.509 303 S HA 0.802 5.272 4.470 0.000 0.000 0.297 303 S C -0.442 174.155 174.600 -0.005 0.000 1.118 303 S CA -0.690 57.505 58.200 -0.008 0.000 1.074 303 S CB 0.777 63.974 63.200 -0.004 0.000 1.038 303 S HN 0.531 nan 8.310 nan 0.000 0.498 304 I N 3.543 124.096 120.570 -0.027 0.000 2.468 304 I HA 0.233 4.403 4.170 0.000 0.000 0.285 304 I C -0.454 175.609 176.117 -0.091 0.000 1.039 304 I CA -0.509 60.758 61.300 -0.054 0.000 1.074 304 I CB 2.335 40.301 38.000 -0.057 0.000 1.228 304 I HN 0.552 nan 8.210 nan 0.000 0.436 305 T N 4.394 118.870 114.554 -0.130 0.000 2.727 305 T HA 0.263 4.613 4.350 0.000 0.000 0.298 305 T C 0.182 174.703 174.700 -0.297 0.000 0.942 305 T CA -0.477 61.516 62.100 -0.179 0.000 0.997 305 T CB 0.420 69.189 68.868 -0.165 0.000 0.917 305 T HN 0.656 nan 8.240 nan 0.000 0.487 306 S N 2.389 117.925 115.700 -0.273 0.000 2.475 306 S HA 0.738 5.208 4.470 0.000 0.000 0.298 306 S C -0.486 173.901 174.600 -0.355 0.000 1.119 306 S CA -0.807 57.196 58.200 -0.330 0.000 1.085 306 S CB 1.347 64.406 63.200 -0.236 0.000 1.028 306 S HN 0.378 nan 8.310 nan 0.000 0.489 307 V N 3.261 122.924 119.914 -0.418 0.000 2.483 307 V HA 0.473 4.593 4.120 0.000 0.000 0.297 307 V C -0.688 175.284 176.094 -0.203 0.000 1.027 307 V CA -0.523 61.596 62.300 -0.303 0.000 0.855 307 V CB 1.374 33.065 31.823 -0.220 0.000 0.995 307 V HN 0.972 nan 8.190 nan 0.000 0.424 308 Q N 2.986 122.669 119.800 -0.196 0.000 2.310 308 Q HA 0.729 5.069 4.340 0.000 0.000 0.270 308 Q C -0.336 175.558 176.000 -0.178 0.000 1.025 308 Q CA -0.568 55.121 55.803 -0.190 0.000 0.772 308 Q CB 2.693 31.296 28.738 -0.226 0.000 1.253 308 Q HN 0.895 nan 8.270 nan 0.000 0.450 309 A N 3.582 126.336 122.820 -0.110 0.000 2.401 309 A HA 0.548 4.868 4.320 0.000 0.000 0.259 309 A C -0.342 177.170 177.584 -0.121 0.000 1.103 309 A CA -0.161 51.828 52.037 -0.080 0.000 0.789 309 A CB 0.089 19.101 19.000 0.020 0.000 1.035 309 A HN 0.752 nan 8.150 nan 0.000 0.491 310 I N 2.951 123.396 120.570 -0.209 0.000 2.466 310 I HA 0.145 4.315 4.170 0.000 0.000 0.279 310 I C -0.667 175.388 176.117 -0.103 0.000 1.033 310 I CA -0.469 60.680 61.300 -0.252 0.000 1.123 310 I CB 1.012 38.532 38.000 -0.801 0.000 1.237 310 I HN 0.737 nan 8.210 nan 0.000 0.460 311 Y N 6.863 127.107 120.300 -0.092 0.000 2.597 311 Y HA 0.228 4.778 4.550 0.000 0.000 0.336 311 Y C -0.205 175.500 175.900 -0.326 0.000 1.216 311 Y CA 0.239 58.215 58.100 -0.208 0.000 1.463 311 Y CB 0.761 39.043 38.460 -0.297 0.000 1.303 311 Y HN 0.266 nan 8.280 nan 0.000 0.576 312 V N 8.922 128.249 119.914 -0.978 0.000 2.305 312 V HA 0.275 4.395 4.120 0.000 0.000 0.275 312 V C -2.280 173.265 176.094 -0.915 0.000 1.020 312 V CA -2.064 59.854 62.300 -0.636 0.000 0.811 312 V CB 0.925 32.600 31.823 -0.247 0.000 1.031 312 V HN 0.710 nan 8.190 nan 0.000 0.439 313 P HA 0.120 nan 4.420 nan 0.000 0.265 313 P C 0.697 177.904 177.300 -0.156 0.000 1.193 313 P CA 0.748 63.663 63.100 -0.307 0.000 0.765 313 P CB 0.670 32.391 31.700 0.036 0.000 0.823 314 A N 3.504 126.278 122.820 -0.077 0.000 2.798 314 A HA -0.266 4.054 4.320 0.000 0.000 0.282 314 A C 0.896 178.447 177.584 -0.055 0.000 1.464 314 A CA 1.281 53.301 52.037 -0.029 0.000 0.844 314 A CB -2.587 16.419 19.000 0.011 0.000 1.006 314 A HN 0.625 nan 8.150 nan 0.000 0.577 315 D N -1.749 118.581 120.400 -0.116 0.000 3.039 315 D HA -0.171 4.469 4.640 0.000 0.000 0.222 315 D C -0.238 176.029 176.300 -0.055 0.000 1.179 315 D CA 2.081 56.027 54.000 -0.090 0.000 0.880 315 D CB -0.951 39.820 40.800 -0.048 0.000 1.115 315 D HN 0.910 nan 8.370 nan 0.000 0.416 316 D N 0.136 120.508 120.400 -0.048 0.000 2.443 316 D HA 0.248 4.888 4.640 0.000 0.000 0.221 316 D C 1.440 177.748 176.300 0.014 0.000 1.097 316 D CA -0.437 53.558 54.000 -0.009 0.000 0.865 316 D CB 0.418 41.226 40.800 0.012 0.000 1.034 316 D HN 0.079 nan 8.370 nan 0.000 0.511 317 L N 2.484 123.722 121.223 0.024 0.000 2.353 317 L HA -0.108 4.232 4.340 0.000 0.000 0.220 317 L C 2.258 179.185 176.870 0.095 0.000 1.133 317 L CA 1.321 56.207 54.840 0.076 0.000 0.798 317 L CB -0.328 41.761 42.059 0.052 0.000 0.922 317 L HN 0.486 nan 8.230 nan 0.000 0.445 318 T N -4.530 110.054 114.554 0.050 0.000 3.148 318 T HA -0.084 4.266 4.350 0.000 0.000 0.253 318 T C 0.808 175.558 174.700 0.083 0.000 1.134 318 T CA -0.352 61.779 62.100 0.051 0.000 1.051 318 T CB -0.381 68.500 68.868 0.021 0.000 0.959 318 T HN 0.190 nan 8.240 nan 0.000 0.525 319 D N 2.925 123.385 120.400 0.100 0.000 2.586 319 D HA -0.001 4.639 4.640 0.000 0.000 0.234 319 D C -1.379 174.994 176.300 0.122 0.000 1.132 319 D CA -1.194 52.893 54.000 0.145 0.000 0.860 319 D CB 1.330 42.224 40.800 0.157 0.000 1.159 319 D HN 0.056 nan 8.370 nan 0.000 0.490 320 P HA -0.243 nan 4.420 nan 0.000 0.218 320 P C 0.865 178.094 177.300 -0.117 0.000 1.154 320 P CA 2.165 65.239 63.100 -0.045 0.000 0.872 320 P CB 0.143 31.765 31.700 -0.129 0.000 0.790 321 A N -0.148 122.556 122.820 -0.193 0.000 1.835 321 A HA -0.118 4.202 4.320 0.000 0.000 0.215 321 A C -0.016 177.658 177.584 0.149 0.000 1.199 321 A CA 2.334 54.347 52.037 -0.040 0.000 0.615 321 A CB -2.247 16.888 19.000 0.226 0.000 0.838 321 A HN 0.207 nan 8.150 nan 0.000 0.444 322 P HA -0.171 nan 4.420 nan 0.000 0.215 322 P C 1.601 179.112 177.300 0.353 0.000 1.153 322 P CA 2.136 65.417 63.100 0.302 0.000 0.853 322 P CB -0.249 31.637 31.700 0.310 0.000 0.788 323 A N -0.179 122.820 122.820 0.298 0.000 1.940 323 A HA -0.149 4.172 4.320 0.000 0.000 0.219 323 A C 2.253 180.017 177.584 0.299 0.000 1.176 323 A CA 2.400 54.633 52.037 0.328 0.000 0.631 323 A CB -1.888 17.209 19.000 0.162 0.000 0.814 323 A HN 0.226 nan 8.150 nan 0.000 0.446 324 T N -0.607 114.070 114.554 0.204 0.000 3.055 324 T HA -0.030 4.320 4.350 0.000 0.000 0.265 324 T C 1.777 176.638 174.700 0.267 0.000 1.111 324 T CA 1.542 63.753 62.100 0.185 0.000 1.118 324 T CB -0.214 68.725 68.868 0.118 0.000 0.909 324 T HN 0.548 nan 8.240 nan 0.000 0.501 325 T N 1.523 116.240 114.554 0.271 0.000 2.896 325 T HA 0.091 4.441 4.350 0.000 0.000 0.263 325 T C 1.508 176.388 174.700 0.299 0.000 1.050 325 T CA 0.512 62.766 62.100 0.257 0.000 1.140 325 T CB -0.472 68.451 68.868 0.093 0.000 0.877 325 T HN 0.310 nan 8.240 nan 0.000 0.457 326 F N 2.118 122.271 119.950 0.338 0.000 2.082 326 F HA -0.255 4.272 4.527 0.000 0.000 0.298 326 F C 2.612 178.483 175.800 0.119 0.000 1.091 326 F CA 1.332 59.467 58.000 0.225 0.000 1.230 326 F CB -0.483 38.535 39.000 0.029 0.000 0.983 326 F HN 0.160 nan 8.300 nan 0.000 0.485 327 A N -1.855 121.093 122.820 0.214 0.000 2.209 327 A HA -0.110 4.210 4.320 0.000 0.000 0.212 327 A C 1.415 178.942 177.584 -0.094 0.000 1.158 327 A CA 0.814 52.863 52.037 0.020 0.000 0.742 327 A CB -0.875 18.074 19.000 -0.085 0.000 0.790 327 A HN 0.475 nan 8.150 nan 0.000 0.472 328 H N -0.774 118.352 119.070 0.093 0.000 2.526 328 H HA 0.336 4.892 4.556 0.000 0.000 0.274 328 H C -0.364 174.981 175.328 0.029 0.000 0.999 328 H CA 0.337 56.410 56.048 0.042 0.000 1.157 328 H CB -0.014 29.755 29.762 0.010 0.000 1.407 328 H HN 0.343 nan 8.280 nan 0.000 0.568 329 L N 0.041 121.349 121.223 0.141 0.000 2.354 329 L HA 0.243 4.583 4.340 0.000 0.000 0.269 329 L C 0.596 177.519 176.870 0.089 0.000 1.005 329 L CA -0.680 54.220 54.840 0.101 0.000 0.819 329 L CB 2.258 44.392 42.059 0.125 0.000 1.311 329 L HN -0.135 nan 8.230 nan 0.000 0.423 330 D N 0.980 121.412 120.400 0.054 0.000 2.301 330 D HA 0.212 4.852 4.640 0.000 0.000 0.206 330 D C 0.294 176.642 176.300 0.080 0.000 0.979 330 D CA 0.593 54.626 54.000 0.056 0.000 0.874 330 D CB 1.054 41.873 40.800 0.032 0.000 0.968 330 D HN 0.518 nan 8.370 nan 0.000 0.510 331 A N 0.441 123.308 122.820 0.078 0.000 2.520 331 A HA 0.586 4.906 4.320 0.000 0.000 0.298 331 A C -0.559 177.111 177.584 0.144 0.000 1.051 331 A CA -0.611 51.505 52.037 0.133 0.000 0.690 331 A CB 1.642 20.755 19.000 0.189 0.000 1.281 331 A HN -0.019 nan 8.150 nan 0.000 0.402 332 T N -0.833 113.858 114.554 0.228 0.000 2.861 332 T HA 0.731 5.081 4.350 0.000 0.000 0.287 332 T C -0.561 174.325 174.700 0.310 0.000 1.003 332 T CA -0.507 61.772 62.100 0.298 0.000 0.977 332 T CB 1.493 70.599 68.868 0.396 0.000 0.996 332 T HN 0.559 nan 8.240 nan 0.000 0.448 333 T N 2.830 117.580 114.554 0.328 0.000 2.772 333 T HA 0.511 4.861 4.350 0.000 0.000 0.288 333 T C -0.161 174.723 174.700 0.306 0.000 0.994 333 T CA -0.600 61.680 62.100 0.300 0.000 0.951 333 T CB 1.007 70.067 68.868 0.320 0.000 0.933 333 T HN 0.653 nan 8.240 nan 0.000 0.447 334 V N 5.335 125.393 119.914 0.240 0.000 2.350 334 V HA 0.325 4.445 4.120 0.000 0.000 0.276 334 V C -0.239 175.946 176.094 0.152 0.000 1.028 334 V CA -0.922 61.505 62.300 0.211 0.000 0.860 334 V CB 0.773 32.679 31.823 0.138 0.000 0.990 334 V HN 0.611 nan 8.190 nan 0.000 0.453 335 L N 4.091 125.407 121.223 0.155 0.000 2.375 335 L HA 0.589 4.929 4.340 0.000 0.000 0.271 335 L C 0.405 177.317 176.870 0.071 0.000 1.107 335 L CA 0.507 55.413 54.840 0.110 0.000 0.806 335 L CB 1.502 43.635 42.059 0.122 0.000 1.146 335 L HN 0.729 nan 8.230 nan 0.000 0.447 336 S N 2.265 117.988 115.700 0.038 0.000 2.557 336 S HA 0.421 4.891 4.470 0.000 0.000 0.291 336 S C 0.866 175.461 174.600 -0.009 0.000 1.116 336 S CA -0.700 57.506 58.200 0.011 0.000 0.992 336 S CB 1.150 64.351 63.200 0.001 0.000 1.028 336 S HN 0.705 nan 8.310 nan 0.000 0.484 337 R N 3.342 123.837 120.500 -0.008 0.000 2.092 337 R HA -0.025 4.315 4.340 0.000 0.000 0.231 337 R C 2.090 178.370 176.300 -0.034 0.000 1.119 337 R CA 1.712 57.804 56.100 -0.014 0.000 0.970 337 R CB -0.622 29.675 30.300 -0.004 0.000 0.864 337 R HN 0.780 nan 8.270 nan 0.000 0.440 338 A N 0.820 123.622 122.820 -0.031 0.000 1.978 338 A HA -0.153 4.167 4.320 0.000 0.000 0.220 338 A C 2.034 179.586 177.584 -0.054 0.000 1.170 338 A CA 1.361 53.376 52.037 -0.037 0.000 0.636 338 A CB -0.378 18.603 19.000 -0.031 0.000 0.810 338 A HN 0.367 nan 8.150 nan 0.000 0.448 339 I N -0.923 119.608 120.570 -0.065 0.000 2.296 339 I HA -0.132 4.038 4.170 0.000 0.000 0.242 339 I C 2.978 178.976 176.117 -0.198 0.000 1.087 339 I CA 0.760 62.004 61.300 -0.093 0.000 1.393 339 I CB -0.457 37.505 38.000 -0.064 0.000 1.093 339 I HN 0.317 nan 8.210 nan 0.000 0.421 340 A N 0.699 123.369 122.820 -0.251 0.000 1.903 340 A HA -0.337 3.983 4.320 0.000 0.000 0.219 340 A C 2.256 179.643 177.584 -0.328 0.000 1.191 340 A CA 2.375 54.125 52.037 -0.478 0.000 0.638 340 A CB -0.901 17.982 19.000 -0.195 0.000 0.823 340 A HN 0.536 nan 8.150 nan 0.000 0.451 341 E N -0.278 119.836 120.200 -0.143 0.000 2.171 341 E HA -0.188 4.162 4.350 0.000 0.000 0.197 341 E C 1.573 178.126 176.600 -0.079 0.000 0.997 341 E CA 1.236 57.592 56.400 -0.073 0.000 0.810 341 E CB -0.223 29.451 29.700 -0.043 0.000 0.738 341 E HN 0.688 nan 8.360 nan 0.000 0.467 342 L N -1.096 120.059 121.223 -0.112 0.000 2.554 342 L HA 0.176 4.516 4.340 0.000 0.000 0.226 342 L C 1.621 178.437 176.870 -0.092 0.000 1.137 342 L CA 0.458 55.246 54.840 -0.087 0.000 0.863 342 L CB 0.073 42.091 42.059 -0.068 0.000 0.985 342 L HN 0.435 nan 8.230 nan 0.000 0.451 343 G N 0.432 109.151 108.800 -0.135 0.000 2.176 343 G HA2 -0.232 3.728 3.960 0.000 0.000 0.253 343 G HA3 -0.232 3.728 3.960 0.000 0.000 0.253 343 G C 0.266 175.169 174.900 0.005 0.000 0.979 343 G CA -0.432 44.658 45.100 -0.017 0.000 0.641 343 G HN 0.152 nan 8.290 nan 0.000 0.530 344 I N 1.304 121.785 120.570 -0.150 0.000 2.421 344 I HA 0.392 4.562 4.170 0.000 0.000 0.291 344 I C 0.043 175.975 176.117 -0.308 0.000 1.089 344 I CA -0.323 60.936 61.300 -0.068 0.000 1.354 344 I CB -0.749 37.238 38.000 -0.021 0.000 1.413 344 I HN 0.132 nan 8.210 nan 0.000 0.513 345 Y N 7.198 127.470 120.300 -0.046 0.000 2.442 345 Y HA 0.375 4.925 4.550 0.000 0.000 0.344 345 Y C -2.046 173.676 175.900 -0.297 0.000 0.976 345 Y CA -2.372 55.629 58.100 -0.166 0.000 1.040 345 Y CB 2.465 40.812 38.460 -0.188 0.000 1.228 345 Y HN 0.420 nan 8.280 nan 0.000 0.451 346 P HA 0.049 nan 4.420 nan 0.000 0.271 346 P C -0.442 176.876 177.300 0.029 0.000 1.216 346 P CA -0.104 62.958 63.100 -0.064 0.000 0.776 346 P CB 1.112 32.795 31.700 -0.027 0.000 0.881 347 A N 3.656 126.519 122.820 0.071 0.000 2.916 347 A HA 0.227 4.547 4.320 0.000 0.000 0.254 347 A C 0.478 178.080 177.584 0.029 0.000 1.544 347 A CA -0.303 51.722 52.037 -0.020 0.000 1.224 347 A CB -1.101 17.858 19.000 -0.067 0.000 1.012 347 A HN 0.374 nan 8.150 nan 0.000 0.636 348 V N 1.006 120.950 119.914 0.050 0.000 2.555 348 V HA 0.071 4.191 4.120 0.000 0.000 0.286 348 V C 0.276 176.397 176.094 0.044 0.000 1.044 348 V CA -0.501 61.842 62.300 0.071 0.000 1.026 348 V CB 1.250 33.126 31.823 0.088 0.000 0.981 348 V HN 0.578 nan 8.190 nan 0.000 0.480 349 D N 7.354 127.783 120.400 0.048 0.000 2.336 349 D HA 0.215 4.855 4.640 0.000 0.000 0.249 349 D C -1.343 174.970 176.300 0.022 0.000 1.213 349 D CA -2.090 51.926 54.000 0.027 0.000 0.870 349 D CB 1.809 42.623 40.800 0.022 0.000 1.076 349 D HN 0.248 nan 8.370 nan 0.000 0.483 350 P HA -0.046 nan 4.420 nan 0.000 0.226 350 P C 0.848 178.138 177.300 -0.017 0.000 1.153 350 P CA 0.646 63.740 63.100 -0.011 0.000 0.777 350 P CB 0.291 31.976 31.700 -0.025 0.000 0.794 351 L N -0.698 120.518 121.223 -0.012 0.000 2.928 351 L HA 0.321 4.661 4.340 0.000 0.000 0.246 351 L C 0.750 177.604 176.870 -0.026 0.000 1.239 351 L CA 0.284 55.111 54.840 -0.022 0.000 1.035 351 L CB -0.144 41.901 42.059 -0.023 0.000 1.360 351 L HN -0.157 nan 8.230 nan 0.000 0.529 352 D N -1.065 119.328 120.400 -0.012 0.000 2.619 352 D HA 0.071 4.711 4.640 0.000 0.000 0.300 352 D C -0.234 176.081 176.300 0.025 0.000 1.502 352 D CA 0.155 54.144 54.000 -0.020 0.000 0.865 352 D CB 0.797 41.580 40.800 -0.028 0.000 1.343 352 D HN -0.051 nan 8.370 nan 0.000 0.447 353 S N -0.075 115.653 115.700 0.047 0.000 2.472 353 S HA 0.764 5.234 4.470 0.000 0.000 0.303 353 S C -0.067 174.581 174.600 0.079 0.000 1.099 353 S CA -0.568 57.690 58.200 0.097 0.000 1.077 353 S CB 1.915 65.182 63.200 0.112 0.000 1.031 353 S HN 0.275 nan 8.310 nan 0.000 0.487 354 T N -1.155 113.466 114.554 0.113 0.000 2.883 354 T HA 0.795 5.145 4.350 0.000 0.000 0.301 354 T C -0.841 173.933 174.700 0.123 0.000 1.158 354 T CA -0.813 61.340 62.100 0.089 0.000 1.007 354 T CB 1.864 70.771 68.868 0.065 0.000 1.186 354 T HN 0.436 nan 8.240 nan 0.000 0.499 355 S N -0.439 115.320 115.700 0.099 0.000 2.575 355 S HA 0.397 4.867 4.470 0.000 0.000 0.278 355 S C 0.903 175.551 174.600 0.080 0.000 1.139 355 S CA -0.787 57.479 58.200 0.109 0.000 0.954 355 S CB 1.820 65.088 63.200 0.114 0.000 1.054 355 S HN 0.929 nan 8.310 nan 0.000 0.483 356 R N 2.874 123.419 120.500 0.075 0.000 2.154 356 R HA -0.106 4.234 4.340 0.000 0.000 0.248 356 R C 1.596 177.922 176.300 0.043 0.000 1.155 356 R CA 2.441 58.574 56.100 0.055 0.000 0.979 356 R CB -0.493 29.837 30.300 0.049 0.000 0.869 356 R HN 0.829 nan 8.270 nan 0.000 0.452 357 I N -1.884 118.713 120.570 0.045 0.000 3.810 357 I HA 0.192 4.362 4.170 0.000 0.000 0.322 357 I C 0.304 176.426 176.117 0.009 0.000 1.288 357 I CA -0.279 61.035 61.300 0.023 0.000 1.143 357 I CB 0.273 38.289 38.000 0.026 0.000 1.012 357 I HN -0.015 nan 8.210 nan 0.000 0.423 358 M N 3.023 122.646 119.600 0.038 0.000 3.237 358 M HA 0.338 4.818 4.480 0.000 0.000 0.266 358 M C -0.938 175.468 176.300 0.177 0.000 1.456 358 M CA -0.015 55.330 55.300 0.075 0.000 1.593 358 M CB -0.978 31.662 32.600 0.068 0.000 1.129 358 M HN 0.290 nan 8.290 nan 0.000 0.547 359 D N 3.938 124.377 120.400 0.064 0.000 2.934 359 D HA 0.399 5.039 4.640 0.000 0.000 0.230 359 D C -2.510 173.652 176.300 -0.230 0.000 1.204 359 D CA -1.457 52.464 54.000 -0.132 0.000 0.873 359 D CB 2.614 43.362 40.800 -0.087 0.000 1.645 359 D HN 0.146 nan 8.370 nan 0.000 0.502 360 P HA -0.047 nan 4.420 nan 0.000 0.221 360 P C 0.720 177.935 177.300 -0.141 0.000 1.150 360 P CA 0.703 63.615 63.100 -0.312 0.000 0.800 360 P CB 0.466 31.902 31.700 -0.439 0.000 0.787 361 N N -0.523 118.094 118.700 -0.139 0.000 2.457 361 N HA 0.027 4.768 4.740 0.000 0.000 0.180 361 N C 1.730 177.212 175.510 -0.047 0.000 1.050 361 N CA 0.766 53.770 53.050 -0.076 0.000 0.906 361 N CB -0.045 38.398 38.487 -0.072 0.000 0.968 361 N HN 0.309 nan 8.380 nan 0.000 0.445 362 I N -0.216 120.324 120.570 -0.050 0.000 2.947 362 I HA -0.063 4.107 4.170 0.000 0.000 0.263 362 I C 1.885 177.996 176.117 -0.011 0.000 1.130 362 I CA 0.352 61.637 61.300 -0.025 0.000 1.448 362 I CB 0.129 38.115 38.000 -0.023 0.000 1.222 362 I HN -0.114 nan 8.210 nan 0.000 0.453 363 V N -1.368 118.530 119.914 -0.027 0.000 3.650 363 V HA 0.581 4.701 4.120 0.000 0.000 0.271 363 V C 0.832 176.970 176.094 0.073 0.000 1.281 363 V CA 0.173 62.467 62.300 -0.010 0.000 1.120 363 V CB -0.891 30.787 31.823 -0.241 0.000 0.856 363 V HN 0.474 nan 8.190 nan 0.000 0.443 364 G N 1.009 109.837 108.800 0.048 0.000 2.692 364 G HA2 -0.100 3.860 3.960 0.000 0.000 0.686 364 G HA3 -0.100 3.860 3.960 0.000 0.000 0.686 364 G C 0.352 175.317 174.900 0.108 0.000 1.243 364 G CA 0.198 45.340 45.100 0.071 0.000 0.782 364 G HN 1.312 nan 8.290 nan 0.000 0.625 365 S N -0.639 115.112 115.700 0.086 0.000 2.481 365 S HA -0.019 4.451 4.470 0.000 0.000 0.231 365 S C 1.683 176.386 174.600 0.172 0.000 0.996 365 S CA 1.658 59.927 58.200 0.115 0.000 0.942 365 S CB 0.173 63.411 63.200 0.064 0.000 0.768 365 S HN 0.989 nan 8.310 nan 0.000 0.520 366 E N 1.041 121.334 120.200 0.155 0.000 2.060 366 E HA -0.180 4.170 4.350 0.000 0.000 0.189 366 E C 2.016 178.735 176.600 0.198 0.000 0.974 366 E CA 0.633 57.121 56.400 0.148 0.000 0.808 366 E CB -0.470 29.295 29.700 0.110 0.000 0.768 366 E HN 0.825 nan 8.360 nan 0.000 0.453 367 H N -1.287 117.844 119.070 0.102 0.000 2.319 367 H HA -0.221 4.335 4.556 0.000 0.000 0.299 367 H C 2.064 177.450 175.328 0.098 0.000 1.092 367 H CA 1.777 57.881 56.048 0.093 0.000 1.302 367 H CB -0.091 29.726 29.762 0.091 0.000 1.373 367 H HN 0.295 nan 8.280 nan 0.000 0.497 368 Y N 1.313 121.702 120.300 0.149 0.000 2.163 368 Y HA -0.197 4.353 4.550 0.000 0.000 0.288 368 Y C 1.917 177.854 175.900 0.062 0.000 1.136 368 Y CA 1.835 59.963 58.100 0.046 0.000 1.147 368 Y CB -0.171 38.286 38.460 -0.005 0.000 0.987 368 Y HN 0.296 nan 8.280 nan 0.000 0.509 369 D N -0.585 119.928 120.400 0.188 0.000 2.178 369 D HA -0.156 4.485 4.640 0.000 0.000 0.202 369 D C 2.336 178.643 176.300 0.013 0.000 0.974 369 D CA 1.506 55.560 54.000 0.090 0.000 0.841 369 D CB -0.321 40.559 40.800 0.134 0.000 0.953 369 D HN 0.313 nan 8.370 nan 0.000 0.478 370 V N 1.286 121.231 119.914 0.052 0.000 2.307 370 V HA -0.196 3.924 4.120 0.000 0.000 0.245 370 V C 2.548 178.628 176.094 -0.023 0.000 1.045 370 V CA 1.665 63.990 62.300 0.042 0.000 1.024 370 V CB -0.982 30.893 31.823 0.088 0.000 0.651 370 V HN 0.170 nan 8.190 nan 0.000 0.449 371 A N 0.344 123.144 122.820 -0.034 0.000 1.873 371 A HA -0.255 4.065 4.320 0.000 0.000 0.218 371 A C 2.332 179.807 177.584 -0.182 0.000 1.193 371 A CA 1.993 53.966 52.037 -0.107 0.000 0.629 371 A CB -0.546 18.410 19.000 -0.073 0.000 0.826 371 A HN 0.397 nan 8.150 nan 0.000 0.447 372 R N -0.618 119.713 120.500 -0.281 0.000 2.115 372 R HA -0.079 4.261 4.340 0.000 0.000 0.230 372 R C 2.293 178.515 176.300 -0.130 0.000 1.111 372 R CA 1.186 57.129 56.100 -0.262 0.000 0.976 372 R CB -1.491 28.576 30.300 -0.387 0.000 0.870 372 R HN 0.569 nan 8.270 nan 0.000 0.445 373 G N 0.102 108.849 108.800 -0.087 0.000 2.394 373 G HA2 -0.151 3.810 3.960 0.000 0.000 0.215 373 G HA3 -0.151 3.810 3.960 0.000 0.000 0.215 373 G C 1.567 176.448 174.900 -0.031 0.000 1.165 373 G CA 0.503 45.581 45.100 -0.036 0.000 0.784 373 G HN 0.141 nan 8.290 nan 0.000 0.535 374 V N 0.796 120.681 119.914 -0.048 0.000 2.287 374 V HA -0.281 3.839 4.120 0.000 0.000 0.248 374 V C 2.935 178.996 176.094 -0.055 0.000 1.053 374 V CA 2.332 64.598 62.300 -0.057 0.000 1.027 374 V CB -0.661 31.061 31.823 -0.167 0.000 0.646 374 V HN 0.441 nan 8.190 nan 0.000 0.447 375 Q N -0.353 119.400 119.800 -0.077 0.000 2.124 375 Q HA -0.259 4.081 4.340 0.000 0.000 0.202 375 Q C 2.363 178.344 176.000 -0.031 0.000 0.977 375 Q CA 1.715 57.484 55.803 -0.058 0.000 0.850 375 Q CB -0.251 28.441 28.738 -0.077 0.000 0.901 375 Q HN 0.598 nan 8.270 nan 0.000 0.429 376 K N 1.071 121.452 120.400 -0.032 0.000 2.026 376 K HA -0.143 4.178 4.320 0.000 0.000 0.208 376 K C 1.977 178.582 176.600 0.009 0.000 1.048 376 K CA 1.025 57.305 56.287 -0.013 0.000 0.929 376 K CB -0.116 32.376 32.500 -0.014 0.000 0.713 376 K HN 0.196 nan 8.250 nan 0.000 0.439 377 I N 0.978 121.555 120.570 0.011 0.000 2.394 377 I HA -0.232 3.938 4.170 0.000 0.000 0.251 377 I C 1.771 177.927 176.117 0.065 0.000 1.136 377 I CA 0.837 62.154 61.300 0.028 0.000 1.425 377 I CB 0.141 38.148 38.000 0.012 0.000 1.079 377 I HN 0.239 nan 8.210 nan 0.000 0.425 378 L N -0.017 121.241 121.223 0.058 0.000 2.109 378 L HA -0.201 4.139 4.340 0.000 0.000 0.207 378 L C 2.546 179.471 176.870 0.092 0.000 1.086 378 L CA 0.927 55.830 54.840 0.106 0.000 0.760 378 L CB -0.616 41.483 42.059 0.067 0.000 0.910 378 L HN 0.271 nan 8.230 nan 0.000 0.437 379 Q N 0.456 120.280 119.800 0.040 0.000 2.084 379 Q HA -0.208 4.132 4.340 0.000 0.000 0.202 379 Q C 1.730 177.744 176.000 0.023 0.000 0.978 379 Q CA 1.786 57.598 55.803 0.015 0.000 0.844 379 Q CB -0.098 28.638 28.738 -0.004 0.000 0.898 379 Q HN 0.377 nan 8.270 nan 0.000 0.426 380 D N -0.961 119.466 120.400 0.045 0.000 2.097 380 D HA -0.175 4.466 4.640 0.000 0.000 0.195 380 D C 1.614 177.969 176.300 0.092 0.000 0.989 380 D CA 1.191 55.222 54.000 0.052 0.000 0.827 380 D CB -0.503 40.327 40.800 0.050 0.000 0.966 380 D HN 0.331 nan 8.370 nan 0.000 0.456 381 Y N 1.954 122.246 120.300 -0.012 0.000 2.128 381 Y HA -0.226 4.324 4.550 0.000 0.000 0.284 381 Y C 2.270 178.163 175.900 -0.013 0.000 1.154 381 Y CA 1.689 59.783 58.100 -0.011 0.000 1.149 381 Y CB -0.280 38.174 38.460 -0.010 0.000 0.976 381 Y HN -0.172 nan 8.280 nan 0.000 0.505 382 K N -0.515 119.798 120.400 -0.144 0.000 2.103 382 K HA -0.145 4.175 4.320 0.000 0.000 0.207 382 K C 2.018 178.511 176.600 -0.179 0.000 1.048 382 K CA 1.805 57.954 56.287 -0.231 0.000 0.930 382 K CB -0.240 32.198 32.500 -0.102 0.000 0.716 382 K HN 0.291 nan 8.250 nan 0.000 0.444 383 S N 0.310 115.952 115.700 -0.096 0.000 2.527 383 S HA 0.070 4.541 4.470 0.000 0.000 0.222 383 S C 1.557 176.120 174.600 -0.063 0.000 0.985 383 S CA 0.358 58.517 58.200 -0.067 0.000 0.921 383 S CB 0.086 63.265 63.200 -0.034 0.000 0.772 383 S HN 0.229 nan 8.310 nan 0.000 0.529 384 L N 0.852 122.034 121.223 -0.068 0.000 2.202 384 L HA 0.039 4.379 4.340 0.000 0.000 0.205 384 L C 2.559 179.376 176.870 -0.088 0.000 1.083 384 L CA 0.532 55.347 54.840 -0.040 0.000 0.790 384 L CB -0.392 41.689 42.059 0.038 0.000 0.942 384 L HN 0.250 nan 8.230 nan 0.000 0.452 385 Q N 0.406 120.073 119.800 -0.222 0.000 2.045 385 Q HA -0.326 4.015 4.340 0.000 0.000 0.215 385 Q C 1.594 177.521 176.000 -0.121 0.000 1.026 385 Q CA 2.449 58.097 55.803 -0.257 0.000 0.885 385 Q CB -0.213 28.285 28.738 -0.399 0.000 0.984 385 Q HN 0.529 nan 8.270 nan 0.000 0.414 386 D N -0.455 119.881 120.400 -0.107 0.000 2.224 386 D HA -0.060 4.580 4.640 0.000 0.000 0.205 386 D C 1.857 178.131 176.300 -0.043 0.000 0.965 386 D CA 0.757 54.716 54.000 -0.068 0.000 0.852 386 D CB -0.075 40.687 40.800 -0.064 0.000 0.947 386 D HN 0.322 nan 8.370 nan 0.000 0.494 387 I N 1.499 122.045 120.570 -0.039 0.000 2.193 387 I HA -0.173 3.998 4.170 0.000 0.000 0.240 387 I C 2.607 178.717 176.117 -0.012 0.000 1.084 387 I CA 0.699 61.986 61.300 -0.022 0.000 1.365 387 I CB -0.231 37.759 38.000 -0.018 0.000 1.064 387 I HN -0.041 nan 8.210 nan 0.000 0.410 388 I N -0.334 120.232 120.570 -0.006 0.000 2.614 388 I HA -0.104 4.066 4.170 0.000 0.000 0.258 388 I C 2.371 178.492 176.117 0.006 0.000 1.189 388 I CA 1.317 62.622 61.300 0.008 0.000 1.462 388 I CB -0.492 37.525 38.000 0.029 0.000 1.092 388 I HN 0.055 nan 8.210 nan 0.000 0.442 389 A N 0.961 123.778 122.820 -0.005 0.000 2.225 389 A HA 0.061 4.381 4.320 0.000 0.000 0.215 389 A C 2.049 179.630 177.584 -0.005 0.000 1.164 389 A CA 1.516 53.550 52.037 -0.006 0.000 0.710 389 A CB -0.578 18.411 19.000 -0.019 0.000 0.780 389 A HN 0.648 nan 8.150 nan 0.000 0.473 390 I N -2.435 118.131 120.570 -0.006 0.000 4.046 390 I HA 0.101 4.271 4.170 0.000 0.000 0.285 390 I C 1.604 177.720 176.117 -0.002 0.000 1.183 390 I CA 0.223 61.520 61.300 -0.005 0.000 1.337 390 I CB 0.161 38.156 38.000 -0.009 0.000 1.478 390 I HN 0.121 nan 8.210 nan 0.000 0.452 391 L N 0.948 122.170 121.223 -0.001 0.000 2.492 391 L HA 0.317 4.657 4.340 0.000 0.000 0.223 391 L C 0.813 177.686 176.870 0.005 0.000 1.132 391 L CA 0.374 55.215 54.840 0.002 0.000 0.850 391 L CB -0.781 41.278 42.059 0.001 0.000 0.966 391 L HN 0.411 nan 8.230 nan 0.000 0.454 392 G N -0.255 108.550 108.800 0.007 0.000 2.690 392 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 -0.080 174.829 174.900 0.016 0.000 1.277 392 G CA -0.105 45.001 45.100 0.011 0.000 0.799 392 G HN -0.008 nan 8.290 nan 0.000 0.613 393 M N 0.362 119.974 119.600 0.019 0.000 2.374 393 M HA 0.082 4.562 4.480 0.000 0.000 0.264 393 M C 1.842 178.153 176.300 0.018 0.000 1.067 393 M CA 2.464 57.778 55.300 0.024 0.000 1.103 393 M CB -0.191 32.424 32.600 0.025 0.000 1.402 393 M HN 0.569 nan 8.290 nan 0.000 0.444 394 D N -0.055 120.354 120.400 0.014 0.000 2.183 394 D HA -0.125 4.515 4.640 0.000 0.000 0.203 394 D C 1.658 177.964 176.300 0.011 0.000 0.969 394 D CA 0.870 54.877 54.000 0.012 0.000 0.842 394 D CB -0.210 40.596 40.800 0.009 0.000 0.957 394 D HN 0.379 nan 8.370 nan 0.000 0.484 395 E N 0.370 120.577 120.200 0.011 0.000 2.409 395 E HA -0.003 4.347 4.350 0.000 0.000 0.198 395 E C 0.814 177.421 176.600 0.011 0.000 1.024 395 E CA 0.034 56.439 56.400 0.009 0.000 0.861 395 E CB 0.045 29.750 29.700 0.008 0.000 0.788 395 E HN 0.381 nan 8.360 nan 0.000 0.521 396 L N 0.962 122.193 121.223 0.014 0.000 2.417 396 L HA 0.065 4.405 4.340 0.000 0.000 0.268 396 L C 1.031 177.908 176.870 0.013 0.000 1.158 396 L CA -0.259 54.590 54.840 0.016 0.000 0.819 396 L CB 0.941 43.014 42.059 0.022 0.000 1.112 396 L HN -0.065 nan 8.230 nan 0.000 0.458 397 S N 1.136 116.843 115.700 0.012 0.000 2.589 397 S HA -0.002 4.468 4.470 0.000 0.000 0.265 397 S C 0.979 175.584 174.600 0.010 0.000 1.342 397 S CA -0.419 57.787 58.200 0.010 0.000 1.005 397 S CB 0.640 63.845 63.200 0.009 0.000 0.909 397 S HN 0.632 nan 8.310 nan 0.000 0.555 398 E N 1.198 121.403 120.200 0.008 0.000 2.526 398 E HA -0.005 4.345 4.350 0.000 0.000 0.198 398 E C 0.853 177.456 176.600 0.006 0.000 1.091 398 E CA 0.504 56.908 56.400 0.007 0.000 0.880 398 E CB 0.073 29.776 29.700 0.006 0.000 0.873 398 E HN 0.662 nan 8.360 nan 0.000 0.527 399 E N -0.205 119.999 120.200 0.007 0.000 2.421 399 E HA -0.027 4.323 4.350 0.000 0.000 0.209 399 E C 0.851 177.456 176.600 0.008 0.000 0.871 399 E CA -0.021 56.382 56.400 0.006 0.000 1.064 399 E CB 0.411 30.114 29.700 0.005 0.000 1.075 399 E HN 0.120 nan 8.360 nan 0.000 0.513 400 D N 2.149 122.557 120.400 0.013 0.000 2.178 400 D HA -0.165 4.476 4.640 0.000 0.000 0.202 400 D C 1.749 178.063 176.300 0.023 0.000 0.974 400 D CA 1.162 55.174 54.000 0.021 0.000 0.841 400 D CB -0.134 40.680 40.800 0.023 0.000 0.953 400 D HN 0.281 nan 8.370 nan 0.000 0.478 401 K N 0.053 120.462 120.400 0.015 0.000 2.400 401 K HA 0.088 4.408 4.320 0.000 0.000 0.194 401 K C 1.866 178.461 176.600 -0.008 0.000 1.033 401 K CA -0.010 56.283 56.287 0.010 0.000 1.021 401 K CB 0.029 32.536 32.500 0.012 0.000 0.808 401 K HN -0.026 nan 8.250 nan 0.000 0.505 402 L N 2.620 123.839 121.223 -0.008 0.000 2.072 402 L HA -0.087 4.253 4.340 0.000 0.000 0.205 402 L C 2.440 179.289 176.870 -0.034 0.000 1.079 402 L CA 2.088 56.917 54.840 -0.017 0.000 0.752 402 L CB -0.486 41.568 42.059 -0.009 0.000 0.906 402 L HN 0.483 nan 8.230 nan 0.000 0.436 403 T N -4.738 109.802 114.554 -0.023 0.000 3.023 403 T HA -0.061 4.289 4.350 0.000 0.000 0.266 403 T C 1.796 176.451 174.700 -0.076 0.000 1.093 403 T CA 1.088 63.169 62.100 -0.032 0.000 1.129 403 T CB -0.646 68.223 68.868 0.003 0.000 0.899 403 T HN 0.092 nan 8.240 nan 0.000 0.491 404 V N 2.704 122.579 119.914 -0.065 0.000 2.270 404 V HA -0.149 3.971 4.120 0.000 0.000 0.245 404 V C 3.237 179.182 176.094 -0.248 0.000 1.043 404 V CA 2.055 64.265 62.300 -0.150 0.000 1.014 404 V CB -0.996 30.819 31.823 -0.014 0.000 0.645 404 V HN 0.777 nan 8.190 nan 0.000 0.447 405 S N 0.546 116.162 115.700 -0.140 0.000 2.368 405 S HA -0.241 4.230 4.470 0.000 0.000 0.225 405 S C 2.105 176.599 174.600 -0.176 0.000 1.030 405 S CA 1.441 59.561 58.200 -0.134 0.000 0.999 405 S CB -0.513 62.645 63.200 -0.070 0.000 0.844 405 S HN 0.541 nan 8.310 nan 0.000 0.459 406 R N 1.271 121.677 120.500 -0.157 0.000 2.075 406 R HA 0.096 4.436 4.340 0.000 0.000 0.232 406 R C 2.814 179.001 176.300 -0.189 0.000 1.126 406 R CA 1.227 57.228 56.100 -0.166 0.000 0.963 406 R CB -0.835 29.403 30.300 -0.103 0.000 0.858 406 R HN 0.601 nan 8.270 nan 0.000 0.435 407 A N 1.296 123.985 122.820 -0.218 0.000 1.902 407 A HA -0.166 4.155 4.320 0.000 0.000 0.217 407 A C 2.095 179.509 177.584 -0.284 0.000 1.181 407 A CA 1.170 53.066 52.037 -0.235 0.000 0.623 407 A CB -0.335 18.474 19.000 -0.318 0.000 0.818 407 A HN 0.225 nan 8.150 nan 0.000 0.443 408 R N -0.383 119.876 120.500 -0.403 0.000 2.115 408 R HA -0.079 4.261 4.340 0.000 0.000 0.230 408 R C 2.130 178.345 176.300 -0.142 0.000 1.111 408 R CA 1.530 57.465 56.100 -0.275 0.000 0.976 408 R CB -0.217 29.921 30.300 -0.271 0.000 0.870 408 R HN 0.503 nan 8.270 nan 0.000 0.445 409 K N 0.497 120.766 120.400 -0.218 0.000 2.057 409 K HA -0.059 4.261 4.320 0.000 0.000 0.206 409 K C 2.013 178.476 176.600 -0.228 0.000 1.050 409 K CA 1.158 57.224 56.287 -0.367 0.000 0.935 409 K CB -0.052 31.954 32.500 -0.823 0.000 0.715 409 K HN 0.104 nan 8.250 nan 0.000 0.439 410 I N 1.226 121.731 120.570 -0.108 0.000 2.252 410 I HA -0.302 3.868 4.170 0.000 0.000 0.245 410 I C 2.795 179.056 176.117 0.241 0.000 1.102 410 I CA 1.167 62.569 61.300 0.168 0.000 1.385 410 I CB -0.191 37.907 38.000 0.163 0.000 1.064 410 I HN 0.296 nan 8.210 nan 0.000 0.414 411 Q N 1.103 120.970 119.800 0.112 0.000 2.135 411 Q HA -0.257 4.083 4.340 0.000 0.000 0.204 411 Q C 2.296 178.396 176.000 0.167 0.000 0.981 411 Q CA 1.730 57.606 55.803 0.121 0.000 0.856 411 Q CB 0.059 28.848 28.738 0.085 0.000 0.902 411 Q HN 0.414 nan 8.270 nan 0.000 0.425 412 R N -0.876 119.735 120.500 0.186 0.000 2.075 412 R HA -0.050 4.290 4.340 0.000 0.000 0.226 412 R C 1.960 178.442 176.300 0.302 0.000 1.114 412 R CA 1.085 57.351 56.100 0.277 0.000 0.972 412 R CB -0.209 30.279 30.300 0.314 0.000 0.869 412 R HN 0.221 nan 8.270 nan 0.000 0.437 413 F N 0.923 120.952 119.950 0.131 0.000 2.546 413 F HA -0.013 4.515 4.527 0.000 0.000 0.298 413 F C 1.355 177.295 175.800 0.235 0.000 1.120 413 F CA 0.946 58.995 58.000 0.081 0.000 1.456 413 F CB 0.099 38.987 39.000 -0.188 0.000 1.088 413 F HN -0.054 nan 8.300 nan 0.000 0.572 414 L N -0.660 120.737 121.223 0.289 0.000 2.313 414 L HA -0.030 4.310 4.340 0.000 0.000 0.214 414 L C 1.579 178.467 176.870 0.031 0.000 1.119 414 L CA 0.374 55.324 54.840 0.184 0.000 0.809 414 L CB -0.837 41.303 42.059 0.137 0.000 0.933 414 L HN 0.076 nan 8.230 nan 0.000 0.449 415 S N 0.063 115.770 115.700 0.011 0.000 2.589 415 S HA 0.269 4.740 4.470 0.000 0.000 0.265 415 S C -0.245 174.259 174.600 -0.159 0.000 1.342 415 S CA -0.450 57.703 58.200 -0.078 0.000 1.005 415 S CB 1.492 64.633 63.200 -0.098 0.000 0.909 415 S HN 0.315 nan 8.310 nan 0.000 0.555 416 Q N 0.337 120.019 119.800 -0.196 0.000 2.518 416 Q HA 0.320 4.660 4.340 0.000 0.000 0.254 416 Q C -3.235 172.671 176.000 -0.158 0.000 0.962 416 Q CA -1.467 54.248 55.803 -0.146 0.000 0.982 416 Q CB 1.971 30.703 28.738 -0.010 0.000 1.516 416 Q HN 0.563 nan 8.270 nan 0.000 0.426 417 P HA 0.191 nan 4.420 nan 0.000 0.282 417 P C -0.992 176.446 177.300 0.231 0.000 1.262 417 P CA 0.253 63.340 63.100 -0.021 0.000 0.773 417 P CB 0.231 31.911 31.700 -0.034 0.000 0.879 418 F N 1.528 121.487 119.950 0.016 0.000 2.385 418 F HA 0.168 4.695 4.527 0.000 0.000 0.336 418 F C 2.321 178.134 175.800 0.022 0.000 1.100 418 F CA -0.744 57.271 58.000 0.025 0.000 1.116 418 F CB 1.844 40.873 39.000 0.047 0.000 1.166 418 F HN 0.380 nan 8.300 nan 0.000 0.511 419 Q N 1.705 121.605 119.800 0.165 0.000 2.152 419 Q HA -0.168 4.172 4.340 0.000 0.000 0.206 419 Q C 1.438 177.481 176.000 0.071 0.000 0.985 419 Q CA 1.723 57.571 55.803 0.074 0.000 0.863 419 Q CB -0.086 28.661 28.738 0.014 0.000 0.904 419 Q HN 0.588 nan 8.270 nan 0.000 0.422 420 V N -0.108 119.870 119.914 0.107 0.000 3.461 420 V HA 0.137 4.257 4.120 0.000 0.000 0.267 420 V C 1.236 177.406 176.094 0.127 0.000 1.186 420 V CA 1.116 63.469 62.300 0.089 0.000 1.154 420 V CB 0.167 32.038 31.823 0.080 0.000 0.802 420 V HN 0.495 nan 8.190 nan 0.000 0.474 421 A N -1.343 121.590 122.820 0.187 0.000 2.503 421 A HA 0.250 4.570 4.320 0.000 0.000 0.263 421 A C 1.591 179.193 177.584 0.030 0.000 1.258 421 A CA 0.037 52.212 52.037 0.229 0.000 0.936 421 A CB -0.073 19.121 19.000 0.324 0.000 1.070 421 A HN 0.514 nan 8.150 nan 0.000 0.522 422 E N 0.095 120.271 120.200 -0.040 0.000 2.085 422 E HA -0.197 4.154 4.350 0.000 0.000 0.194 422 E C 1.975 178.479 176.600 -0.161 0.000 0.994 422 E CA 1.895 58.262 56.400 -0.055 0.000 0.801 422 E CB -0.353 29.321 29.700 -0.044 0.000 0.743 422 E HN 0.637 nan 8.360 nan 0.000 0.453 423 V N -1.267 118.428 119.914 -0.365 0.000 2.828 423 V HA -0.233 3.887 4.120 0.000 0.000 0.260 423 V C 1.567 177.386 176.094 -0.457 0.000 1.101 423 V CA 1.585 63.596 62.300 -0.481 0.000 1.123 423 V CB -0.871 30.546 31.823 -0.677 0.000 0.704 423 V HN 0.187 nan 8.190 nan 0.000 0.493 424 F N 1.249 121.190 119.950 -0.015 0.000 2.553 424 F HA 0.130 4.657 4.527 0.000 0.000 0.282 424 F C 2.649 178.451 175.800 0.003 0.000 1.089 424 F CA 0.706 58.688 58.000 -0.030 0.000 1.411 424 F CB -0.532 38.407 39.000 -0.101 0.000 1.125 424 F HN 0.198 nan 8.300 nan 0.000 0.610 425 T N -2.801 111.868 114.554 0.190 0.000 3.009 425 T HA 0.287 4.637 4.350 0.000 0.000 0.258 425 T C 1.926 176.739 174.700 0.189 0.000 1.063 425 T CA 0.798 63.040 62.100 0.236 0.000 1.139 425 T CB -0.263 68.757 68.868 0.253 0.000 0.890 425 T HN 0.454 nan 8.240 nan 0.000 0.471 426 G N 1.187 110.019 108.800 0.053 0.000 2.155 426 G HA2 -0.220 3.740 3.960 0.000 0.000 0.257 426 G HA3 -0.220 3.740 3.960 0.000 0.000 0.257 426 G C -0.166 174.615 174.900 -0.198 0.000 0.983 426 G CA 0.406 45.460 45.100 -0.078 0.000 0.676 426 G HN 0.827 nan 8.290 nan 0.000 0.528 427 H N -1.508 117.565 119.070 0.005 0.000 2.569 427 H HA 0.643 5.199 4.556 0.000 0.000 0.357 427 H C 0.252 175.580 175.328 0.000 0.000 1.153 427 H CA -0.886 55.162 56.048 0.000 0.000 1.193 427 H CB 1.666 31.424 29.762 -0.008 0.000 1.602 427 H HN 0.218 nan 8.280 nan 0.000 0.523 428 L N 1.874 123.166 121.223 0.114 0.000 2.453 428 L HA 0.258 4.598 4.340 0.000 0.000 0.272 428 L C 0.881 177.801 176.870 0.083 0.000 1.182 428 L CA 0.319 55.201 54.840 0.070 0.000 0.858 428 L CB 0.347 42.432 42.059 0.044 0.000 1.120 428 L HN 0.846 nan 8.230 nan 0.000 0.474 429 G N 3.977 112.820 108.800 0.072 0.000 2.491 429 G HA2 0.247 4.208 3.960 0.000 0.000 0.242 429 G HA3 0.247 4.208 3.960 0.000 0.000 0.242 429 G C -0.640 174.297 174.900 0.062 0.000 1.266 429 G CA -0.509 44.644 45.100 0.088 0.000 0.844 429 G HN 0.479 nan 8.290 nan 0.000 0.571 430 K N 0.789 121.233 120.400 0.073 0.000 2.378 430 K HA 0.434 4.754 4.320 0.000 0.000 0.252 430 K C -1.119 175.502 176.600 0.036 0.000 0.931 430 K CA -0.722 55.590 56.287 0.043 0.000 0.794 430 K CB 2.713 35.230 32.500 0.028 0.000 1.181 430 K HN 0.386 nan 8.250 nan 0.000 0.425 431 L N 2.377 123.607 121.223 0.013 0.000 2.333 431 L HA 0.461 4.801 4.340 0.000 0.000 0.280 431 L C -1.154 175.717 176.870 0.003 0.000 1.004 431 L CA -0.869 53.970 54.840 -0.002 0.000 0.820 431 L CB 1.568 43.619 42.059 -0.013 0.000 1.247 431 L HN 0.236 nan 8.230 nan 0.000 0.416 432 V N 5.786 125.700 119.914 0.001 0.000 2.378 432 V HA 0.437 4.558 4.120 0.000 0.000 0.288 432 V C -2.141 173.959 176.094 0.009 0.000 1.016 432 V CA -1.749 60.554 62.300 0.005 0.000 0.840 432 V CB 1.292 33.109 31.823 -0.009 0.000 0.994 432 V HN 0.676 nan 8.190 nan 0.000 0.431 433 P HA 0.093 nan 4.420 nan 0.000 0.269 433 P C 0.782 178.092 177.300 0.017 0.000 1.215 433 P CA -0.325 62.785 63.100 0.017 0.000 0.780 433 P CB 0.780 32.493 31.700 0.021 0.000 0.898 434 L N 3.173 124.401 121.223 0.009 0.000 2.013 434 L HA -0.216 4.125 4.340 0.000 0.000 0.212 434 L C 1.865 178.725 176.870 -0.018 0.000 1.073 434 L CA 2.065 56.897 54.840 -0.014 0.000 0.753 434 L CB -0.893 41.162 42.059 -0.007 0.000 0.890 434 L HN 0.229 nan 8.230 nan 0.000 0.432 435 K N -0.117 120.287 120.400 0.008 0.000 2.103 435 K HA -0.183 4.137 4.320 0.000 0.000 0.207 435 K C 2.035 178.660 176.600 0.043 0.000 1.048 435 K CA 1.822 58.121 56.287 0.020 0.000 0.930 435 K CB -0.239 32.278 32.500 0.029 0.000 0.716 435 K HN 0.579 nan 8.250 nan 0.000 0.444 436 E N -0.084 120.147 120.200 0.052 0.000 2.072 436 E HA -0.083 4.267 4.350 0.000 0.000 0.190 436 E C 2.004 178.681 176.600 0.128 0.000 0.982 436 E CA 1.111 57.560 56.400 0.080 0.000 0.803 436 E CB -0.053 29.689 29.700 0.070 0.000 0.755 436 E HN 0.222 nan 8.360 nan 0.000 0.453 437 T N 1.828 116.453 114.554 0.118 0.000 2.607 437 T HA -0.211 4.139 4.350 0.000 0.000 0.267 437 T C 1.990 176.870 174.700 0.300 0.000 1.049 437 T CA 1.342 63.566 62.100 0.207 0.000 1.162 437 T CB -0.362 68.581 68.868 0.123 0.000 0.863 437 T HN 0.102 nan 8.240 nan 0.000 0.424 438 I N 0.815 121.463 120.570 0.129 0.000 2.091 438 I HA -0.274 3.896 4.170 0.000 0.000 0.239 438 I C 2.705 178.922 176.117 0.166 0.000 1.061 438 I CA 1.668 63.032 61.300 0.106 0.000 1.317 438 I CB -0.429 37.555 38.000 -0.026 0.000 1.031 438 I HN 0.226 nan 8.210 nan 0.000 0.401 439 K N 0.991 121.465 120.400 0.122 0.000 2.020 439 K HA -0.214 4.106 4.320 0.000 0.000 0.212 439 K C 2.143 178.814 176.600 0.118 0.000 1.050 439 K CA 1.931 58.283 56.287 0.108 0.000 0.929 439 K CB -0.578 31.972 32.500 0.084 0.000 0.714 439 K HN 0.442 nan 8.250 nan 0.000 0.443 440 G N 0.416 109.292 108.800 0.127 0.000 2.529 440 G HA2 -0.271 3.689 3.960 0.000 0.000 0.219 440 G HA3 -0.271 3.689 3.960 0.000 0.000 0.219 440 G C 1.342 176.179 174.900 -0.104 0.000 1.177 440 G CA 1.166 46.261 45.100 -0.008 0.000 0.773 440 G HN 0.322 nan 8.290 nan 0.000 0.573 441 F N 0.210 120.271 119.950 0.184 0.000 2.234 441 F HA 0.079 4.606 4.527 0.000 0.000 0.296 441 F C 2.947 178.784 175.800 0.062 0.000 1.089 441 F CA 1.233 59.310 58.000 0.129 0.000 1.343 441 F CB -0.273 38.815 39.000 0.147 0.000 1.040 441 F HN 0.121 nan 8.300 nan 0.000 0.498 442 Q N 0.339 120.275 119.800 0.227 0.000 2.062 442 Q HA -0.321 4.020 4.340 0.000 0.000 0.209 442 Q C 2.178 178.227 176.000 0.082 0.000 0.996 442 Q CA 2.273 58.154 55.803 0.129 0.000 0.859 442 Q CB -0.156 28.644 28.738 0.104 0.000 0.920 442 Q HN 0.498 nan 8.270 nan 0.000 0.415 443 Q N -0.358 119.488 119.800 0.077 0.000 2.046 443 Q HA -0.138 4.202 4.340 0.000 0.000 0.200 443 Q C 2.120 178.143 176.000 0.039 0.000 0.975 443 Q CA 1.452 57.281 55.803 0.044 0.000 0.836 443 Q CB -0.053 28.766 28.738 0.135 0.000 0.896 443 Q HN 0.469 nan 8.270 nan 0.000 0.428 444 I N 0.514 121.126 120.570 0.070 0.000 2.226 444 I HA -0.280 3.890 4.170 0.000 0.000 0.245 444 I C 2.146 178.259 176.117 -0.008 0.000 1.100 444 I CA 0.972 62.278 61.300 0.010 0.000 1.374 444 I CB -0.284 37.612 38.000 -0.173 0.000 1.057 444 I HN 0.188 nan 8.210 nan 0.000 0.413 445 L N 0.731 121.974 121.223 0.034 0.000 2.079 445 L HA -0.206 4.134 4.340 0.000 0.000 0.210 445 L C 2.587 179.462 176.870 0.007 0.000 1.081 445 L CA 1.348 56.206 54.840 0.030 0.000 0.752 445 L CB -0.534 41.561 42.059 0.060 0.000 0.896 445 L HN 0.276 nan 8.230 nan 0.000 0.433 446 A N -1.032 121.788 122.820 0.000 0.000 2.238 446 A HA 0.263 4.583 4.320 0.000 0.000 0.208 446 A C 1.735 179.297 177.584 -0.035 0.000 1.177 446 A CA 0.836 52.863 52.037 -0.016 0.000 0.804 446 A CB -0.299 18.689 19.000 -0.019 0.000 0.823 446 A HN 0.551 nan 8.150 nan 0.000 0.482 447 G N -0.746 108.030 108.800 -0.041 0.000 2.176 447 G HA2 -0.257 3.703 3.960 0.000 0.000 0.232 447 G HA3 -0.257 3.703 3.960 0.000 0.000 0.232 447 G C 0.573 175.430 174.900 -0.071 0.000 0.986 447 G CA 0.463 45.539 45.100 -0.040 0.000 0.643 447 G HN 0.539 nan 8.290 nan 0.000 0.522 448 E N -0.853 119.241 120.200 -0.176 0.000 2.331 448 E HA -0.085 4.265 4.350 0.000 0.000 0.199 448 E C 0.772 177.062 176.600 -0.516 0.000 1.008 448 E CA 1.152 57.317 56.400 -0.392 0.000 0.843 448 E CB -0.125 29.208 29.700 -0.611 0.000 0.761 448 E HN 0.806 nan 8.360 nan 0.000 0.507 449 Y N -0.884 119.420 120.300 0.006 0.000 2.721 449 Y HA 0.135 4.685 4.550 0.000 0.000 0.251 449 Y C 0.629 176.440 175.900 -0.148 0.000 1.136 449 Y CA -0.624 57.398 58.100 -0.129 0.000 1.142 449 Y CB 0.656 39.145 38.460 0.049 0.000 1.212 449 Y HN -0.132 nan 8.280 nan 0.000 0.565 450 D N 0.220 120.658 120.400 0.064 0.000 2.311 450 D HA -0.182 4.459 4.640 0.000 0.000 0.212 450 D C 1.926 178.274 176.300 0.081 0.000 0.972 450 D CA 1.518 55.553 54.000 0.059 0.000 0.887 450 D CB -0.050 40.788 40.800 0.065 0.000 0.915 450 D HN 0.643 nan 8.370 nan 0.000 0.497 451 H N -1.088 118.041 119.070 0.098 0.000 2.562 451 H HA 0.149 4.705 4.556 0.000 0.000 0.267 451 H C 0.891 176.278 175.328 0.099 0.000 0.959 451 H CA -0.152 55.943 56.048 0.078 0.000 1.204 451 H CB -0.079 29.715 29.762 0.054 0.000 1.430 451 H HN 0.069 nan 8.280 nan 0.000 0.545 452 L N 3.431 124.497 121.223 -0.261 0.000 2.417 452 L HA 0.252 4.592 4.340 0.000 0.000 0.268 452 L C -2.023 174.885 176.870 0.064 0.000 1.158 452 L CA -1.915 52.871 54.840 -0.090 0.000 0.819 452 L CB 0.609 42.571 42.059 -0.161 0.000 1.112 452 L HN 0.066 nan 8.230 nan 0.000 0.458 453 P HA 0.110 nan 4.420 nan 0.000 0.279 453 P C 0.256 177.651 177.300 0.159 0.000 1.239 453 P CA -0.393 62.751 63.100 0.074 0.000 0.789 453 P CB 1.181 32.901 31.700 0.033 0.000 0.933 454 E N 1.151 121.445 120.200 0.157 0.000 2.149 454 E HA -0.310 4.040 4.350 0.000 0.000 0.215 454 E C 1.663 178.403 176.600 0.233 0.000 1.055 454 E CA 1.710 58.222 56.400 0.186 0.000 0.870 454 E CB -0.034 29.707 29.700 0.069 0.000 0.764 454 E HN 0.425 nan 8.360 nan 0.000 0.463 455 Q N -0.933 118.943 119.800 0.126 0.000 2.291 455 Q HA -0.077 4.263 4.340 0.000 0.000 0.206 455 Q C 1.875 177.945 176.000 0.116 0.000 0.976 455 Q CA 1.081 56.955 55.803 0.119 0.000 0.875 455 Q CB -0.115 28.660 28.738 0.062 0.000 0.927 455 Q HN 0.348 nan 8.270 nan 0.000 0.450 456 A N -0.816 122.005 122.820 0.002 0.000 2.121 456 A HA -0.088 4.233 4.320 0.000 0.000 0.218 456 A C 1.438 178.837 177.584 -0.310 0.000 1.154 456 A CA 0.731 52.642 52.037 -0.210 0.000 0.679 456 A CB -0.491 18.262 19.000 -0.412 0.000 0.795 456 A HN 0.290 nan 8.150 nan 0.000 0.458 457 F N -2.780 117.179 119.950 0.015 0.000 2.776 457 F HA 0.193 4.720 4.527 0.000 0.000 0.300 457 F C 0.657 176.547 175.800 0.150 0.000 1.116 457 F CA -0.290 57.741 58.000 0.051 0.000 1.375 457 F CB 0.020 39.023 39.000 0.005 0.000 1.109 457 F HN 0.273 nan 8.300 nan 0.000 0.585 458 Y N 1.679 122.067 120.300 0.146 0.000 2.480 458 Y HA 0.329 4.879 4.550 0.000 0.000 0.341 458 Y C 0.642 176.539 175.900 -0.005 0.000 1.031 458 Y CA -1.393 56.753 58.100 0.076 0.000 1.295 458 Y CB 0.285 38.776 38.460 0.052 0.000 1.162 458 Y HN 0.180 nan 8.280 nan 0.000 0.523 459 M N 4.895 124.125 119.600 -0.617 0.000 2.465 459 M HA -0.143 4.338 4.480 0.000 0.000 0.203 459 M C -1.822 174.237 176.300 -0.402 0.000 0.578 459 M CA 1.055 55.918 55.300 -0.728 0.000 0.539 459 M CB -1.569 30.307 32.600 -1.207 0.000 1.704 459 M HN 0.446 nan 8.290 nan 0.000 0.872 460 V N -2.439 117.351 119.914 -0.207 0.000 3.141 460 V HA 1.101 5.221 4.120 0.000 0.000 0.312 460 V C 0.840 176.881 176.094 -0.087 0.000 1.157 460 V CA -0.256 61.986 62.300 -0.098 0.000 1.041 460 V CB 1.415 33.228 31.823 -0.016 0.000 1.071 460 V HN 0.472 nan 8.190 nan 0.000 0.441 461 G N 0.412 109.190 108.800 -0.038 0.000 2.908 461 G HA2 0.407 4.367 3.960 0.000 0.000 0.188 461 G HA3 0.407 4.367 3.960 0.000 0.000 0.188 461 G C -2.147 172.752 174.900 -0.002 0.000 1.903 461 G CA -0.142 44.933 45.100 -0.041 0.000 0.883 461 G HN 0.761 nan 8.290 nan 0.000 0.515 462 P HA 0.130 nan 4.420 nan 0.000 0.272 462 P C 0.718 178.151 177.300 0.222 0.000 1.240 462 P CA -0.508 62.684 63.100 0.152 0.000 0.791 462 P CB 1.243 32.989 31.700 0.077 0.000 0.978 463 I N 0.800 121.485 120.570 0.193 0.000 2.454 463 I HA -0.237 3.933 4.170 0.000 0.000 0.254 463 I C 1.747 177.745 176.117 -0.198 0.000 1.156 463 I CA 1.745 62.961 61.300 -0.141 0.000 1.433 463 I CB -0.640 37.192 38.000 -0.281 0.000 1.082 463 I HN 0.238 nan 8.210 nan 0.000 0.432 464 E N 0.592 120.748 120.200 -0.073 0.000 2.153 464 E HA -0.212 4.138 4.350 0.000 0.000 0.194 464 E C 2.017 178.562 176.600 -0.091 0.000 0.988 464 E CA 1.279 57.637 56.400 -0.069 0.000 0.811 464 E CB -0.260 29.431 29.700 -0.016 0.000 0.746 464 E HN 0.581 nan 8.360 nan 0.000 0.466 465 E N -0.148 120.012 120.200 -0.066 0.000 2.268 465 E HA -0.077 4.273 4.350 0.000 0.000 0.195 465 E C 1.784 178.301 176.600 -0.138 0.000 0.995 465 E CA 0.727 57.088 56.400 -0.066 0.000 0.836 465 E CB 0.009 29.697 29.700 -0.020 0.000 0.763 465 E HN 0.278 nan 8.360 nan 0.000 0.491 466 A N 0.660 123.331 122.820 -0.249 0.000 1.975 466 A HA -0.025 4.295 4.320 0.000 0.000 0.215 466 A C 2.386 179.666 177.584 -0.507 0.000 1.170 466 A CA 0.383 52.134 52.037 -0.477 0.000 0.656 466 A CB -0.103 18.400 19.000 -0.829 0.000 0.821 466 A HN 0.071 nan 8.150 nan 0.000 0.449 467 V N 0.122 119.800 119.914 -0.393 0.000 2.307 467 V HA -0.199 3.921 4.120 0.000 0.000 0.245 467 V C 3.048 179.053 176.094 -0.149 0.000 1.045 467 V CA 1.736 63.888 62.300 -0.247 0.000 1.024 467 V CB -1.352 30.397 31.823 -0.124 0.000 0.651 467 V HN 0.566 nan 8.190 nan 0.000 0.449 468 A N 0.211 122.960 122.820 -0.119 0.000 1.884 468 A HA -0.355 3.965 4.320 0.000 0.000 0.219 468 A C 2.343 179.880 177.584 -0.077 0.000 1.197 468 A CA 2.672 54.664 52.037 -0.074 0.000 0.637 468 A CB -0.648 18.319 19.000 -0.055 0.000 0.827 468 A HN 0.524 nan 8.150 nan 0.000 0.450 469 K N -0.583 119.753 120.400 -0.106 0.000 2.103 469 K HA -0.112 4.208 4.320 0.000 0.000 0.207 469 K C 2.144 178.688 176.600 -0.094 0.000 1.048 469 K CA 1.275 57.508 56.287 -0.089 0.000 0.930 469 K CB -0.341 32.097 32.500 -0.103 0.000 0.716 469 K HN 0.413 nan 8.250 nan 0.000 0.444 470 A N 1.551 124.284 122.820 -0.146 0.000 1.902 470 A HA -0.204 4.116 4.320 0.000 0.000 0.217 470 A C 1.638 179.191 177.584 -0.053 0.000 1.181 470 A CA 2.043 54.011 52.037 -0.116 0.000 0.623 470 A CB -0.569 18.334 19.000 -0.161 0.000 0.818 470 A HN 0.387 nan 8.150 nan 0.000 0.443 471 D N -0.405 119.968 120.400 -0.044 0.000 2.097 471 D HA -0.137 4.503 4.640 0.000 0.000 0.195 471 D C 1.859 178.151 176.300 -0.014 0.000 0.989 471 D CA 1.358 55.347 54.000 -0.018 0.000 0.827 471 D CB -0.319 40.473 40.800 -0.014 0.000 0.966 471 D HN 0.477 nan 8.370 nan 0.000 0.456 472 K N 0.319 120.707 120.400 -0.020 0.000 2.103 472 K HA -0.074 4.246 4.320 0.000 0.000 0.207 472 K C 2.217 178.815 176.600 -0.004 0.000 1.048 472 K CA 0.563 56.844 56.287 -0.010 0.000 0.930 472 K CB -0.073 32.423 32.500 -0.008 0.000 0.716 472 K HN 0.143 nan 8.250 nan 0.000 0.444 473 L N -0.078 121.140 121.223 -0.008 0.000 2.109 473 L HA -0.092 4.248 4.340 0.000 0.000 0.207 473 L C 2.467 179.339 176.870 0.003 0.000 1.086 473 L CA 0.793 55.633 54.840 -0.001 0.000 0.760 473 L CB -0.516 41.541 42.059 -0.004 0.000 0.910 473 L HN 0.183 nan 8.230 nan 0.000 0.437 474 A N -0.654 122.167 122.820 0.001 0.000 2.009 474 A HA -0.210 4.110 4.320 0.000 0.000 0.222 474 A C 0.918 178.506 177.584 0.007 0.000 1.175 474 A CA 1.978 54.018 52.037 0.006 0.000 0.651 474 A CB -0.201 18.804 19.000 0.008 0.000 0.815 474 A HN 0.511 nan 8.150 nan 0.000 0.459 475 E N 0.000 120.203 120.200 0.005 0.000 2.725 475 E HA 0.000 4.350 4.350 0.000 0.000 0.291 475 E CA 0.000 56.404 56.400 0.006 0.000 0.976 475 E CB 0.000 29.704 29.700 0.006 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440