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 2wss_1_N DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.780 174.700 0.134 0.000 1.109 9 T CA 0.000 62.170 62.100 0.117 0.000 1.349 9 T CB 0.000 68.956 68.868 0.146 0.000 0.612 10 T N -0.574 114.026 114.554 0.077 0.000 2.883 10 T HA 0.845 5.195 4.350 -0.000 0.000 0.301 10 T C -0.358 174.062 174.700 -0.467 0.000 1.158 10 T CA -0.092 61.939 62.100 -0.116 0.000 1.007 10 T CB 1.609 70.423 68.868 -0.089 0.000 1.186 10 T HN 1.346 nan 8.240 nan 0.000 0.499 11 G N 0.940 109.299 108.800 -0.736 0.000 2.649 11 G HA2 0.728 4.688 3.960 -0.000 0.000 0.290 11 G HA3 0.728 4.688 3.960 -0.000 0.000 0.290 11 G C -1.963 172.628 174.900 -0.515 0.000 1.426 11 G CA -0.869 43.623 45.100 -1.014 0.000 0.794 11 G HN 0.644 nan 8.290 nan 0.000 0.483 12 R N -0.680 119.603 120.500 -0.362 0.000 2.744 12 R HA 0.471 4.811 4.340 -0.000 0.000 0.279 12 R C -0.885 175.353 176.300 -0.102 0.000 0.977 12 R CA -0.952 55.042 56.100 -0.177 0.000 0.906 12 R CB 2.691 32.917 30.300 -0.123 0.000 1.197 12 R HN 0.372 nan 8.270 nan 0.000 0.463 13 I N 3.021 123.553 120.570 -0.062 0.000 2.329 13 I HA -0.011 4.159 4.170 -0.000 0.000 0.295 13 I C 1.459 177.567 176.117 -0.014 0.000 1.109 13 I CA -0.144 61.141 61.300 -0.025 0.000 1.297 13 I CB 1.058 39.048 38.000 -0.017 0.000 1.433 13 I HN 0.502 nan 8.210 nan 0.000 0.509 14 V N 4.314 124.227 119.914 -0.002 0.000 2.591 14 V HA 0.119 4.239 4.120 -0.000 0.000 0.249 14 V C 1.026 177.124 176.094 0.006 0.000 1.053 14 V CA 0.822 63.123 62.300 0.002 0.000 1.068 14 V CB -0.977 30.853 31.823 0.012 0.000 0.689 14 V HN 0.739 nan 8.190 nan 0.000 0.462 15 A N -0.889 121.938 122.820 0.012 0.000 2.539 15 A HA 0.800 5.120 4.320 -0.000 0.000 0.296 15 A C -1.247 176.344 177.584 0.012 0.000 1.073 15 A CA -0.449 51.595 52.037 0.011 0.000 0.700 15 A CB 2.465 21.473 19.000 0.013 0.000 1.296 15 A HN 0.156 nan 8.150 nan 0.000 0.405 16 V N 2.284 122.203 119.914 0.008 0.000 2.555 16 V HA 0.366 4.486 4.120 -0.000 0.000 0.283 16 V C -1.589 174.508 176.094 0.006 0.000 1.020 16 V CA 0.000 62.305 62.300 0.008 0.000 0.883 16 V CB 0.889 32.715 31.823 0.006 0.000 1.030 16 V HN 0.676 nan 8.190 nan 0.000 0.448 17 I N 3.774 124.348 120.570 0.007 0.000 2.436 17 I HA 0.879 5.049 4.170 -0.000 0.000 0.289 17 I C 0.963 177.082 176.117 0.003 0.000 1.010 17 I CA 0.387 61.689 61.300 0.004 0.000 1.098 17 I CB 1.400 39.402 38.000 0.003 0.000 1.266 17 I HN 0.709 nan 8.210 nan 0.000 0.434 18 G N 4.433 113.234 108.800 0.001 0.000 2.596 18 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.295 18 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.295 18 G C 0.691 175.592 174.900 0.003 0.000 1.240 18 G CA 0.448 45.547 45.100 0.000 0.000 0.985 18 G HN 1.225 nan 8.290 nan 0.000 0.555 19 A N -0.884 121.937 122.820 0.002 0.000 2.327 19 A HA 0.580 4.900 4.320 -0.000 0.000 0.228 19 A C 0.718 178.308 177.584 0.010 0.000 1.275 19 A CA 1.114 53.155 52.037 0.006 0.000 0.875 19 A CB 0.044 19.046 19.000 0.004 0.000 0.925 19 A HN 1.367 nan 8.150 nan 0.000 0.493 20 V N 1.861 121.781 119.914 0.009 0.000 2.288 20 V HA 0.177 4.297 4.120 -0.000 0.000 0.266 20 V C -0.359 175.746 176.094 0.018 0.000 1.048 20 V CA -0.332 61.975 62.300 0.013 0.000 0.842 20 V CB 0.970 32.798 31.823 0.008 0.000 1.064 20 V HN 0.211 nan 8.190 nan 0.000 0.472 21 V N 3.959 123.889 119.914 0.025 0.000 2.406 21 V HA 0.370 4.490 4.120 -0.000 0.000 0.272 21 V C 0.011 176.130 176.094 0.043 0.000 1.043 21 V CA -0.773 61.546 62.300 0.031 0.000 0.915 21 V CB 1.276 33.120 31.823 0.035 0.000 0.988 21 V HN 0.661 nan 8.190 nan 0.000 0.466 22 D N 3.948 124.372 120.400 0.040 0.000 2.249 22 D HA 0.482 5.122 4.640 -0.000 0.000 0.246 22 D C -0.522 175.816 176.300 0.064 0.000 1.114 22 D CA 0.014 54.046 54.000 0.053 0.000 0.854 22 D CB 2.274 43.098 40.800 0.040 0.000 1.132 22 D HN 0.296 nan 8.370 nan 0.000 0.461 23 V N 2.829 122.808 119.914 0.107 0.000 2.577 23 V HA 0.208 4.328 4.120 -0.000 0.000 0.303 23 V C -0.122 176.102 176.094 0.216 0.000 1.042 23 V CA -0.757 61.622 62.300 0.130 0.000 0.872 23 V CB 2.203 34.133 31.823 0.178 0.000 0.998 23 V HN 0.406 nan 8.190 nan 0.000 0.423 24 Q N 2.746 122.613 119.800 0.113 0.000 2.245 24 Q HA 0.676 5.016 4.340 -0.000 0.000 0.256 24 Q C -1.899 174.161 176.000 0.100 0.000 0.942 24 Q CA -0.500 55.390 55.803 0.145 0.000 0.896 24 Q CB 1.788 30.553 28.738 0.045 0.000 1.272 24 Q HN 0.609 nan 8.270 nan 0.000 0.442 25 F N 1.433 121.368 119.950 -0.024 0.000 2.547 25 F HA 0.244 4.771 4.527 -0.000 0.000 0.316 25 F C 0.351 176.133 175.800 -0.030 0.000 1.121 25 F CA -0.751 57.233 58.000 -0.025 0.000 0.911 25 F CB 1.860 40.842 39.000 -0.031 0.000 1.179 25 F HN 0.596 nan 8.300 nan 0.000 0.443 26 D N 1.110 121.573 120.400 0.104 0.000 2.149 26 D HA -0.059 4.581 4.640 -0.000 0.000 0.206 26 D C 1.326 177.676 176.300 0.082 0.000 0.967 26 D CA 0.928 54.966 54.000 0.063 0.000 0.848 26 D CB 0.204 41.016 40.800 0.020 0.000 0.998 26 D HN 0.468 nan 8.370 nan 0.000 0.474 27 E N 1.114 121.383 120.200 0.115 0.000 4.220 27 E HA 0.063 4.413 4.350 -0.000 0.000 0.565 27 E C 1.102 177.756 176.600 0.089 0.000 0.551 27 E CA 0.528 56.990 56.400 0.104 0.000 3.748 27 E CB -0.642 29.137 29.700 0.132 0.000 1.795 27 E HN 0.141 nan 8.360 nan 0.000 0.339 28 G N 0.659 109.513 108.800 0.091 0.000 2.437 28 G HA2 0.421 4.381 3.960 -0.000 0.000 0.315 28 G HA3 0.421 4.381 3.960 -0.000 0.000 0.315 28 G C -0.645 174.187 174.900 -0.113 0.000 1.210 28 G CA -0.582 44.517 45.100 -0.001 0.000 0.943 28 G HN -0.015 nan 8.290 nan 0.000 0.471 29 L N 3.929 125.031 121.223 -0.203 0.000 2.540 29 L HA 0.227 4.567 4.340 -0.000 0.000 0.276 29 L C -1.661 175.003 176.870 -0.343 0.000 1.212 29 L CA -1.065 53.527 54.840 -0.414 0.000 0.893 29 L CB 0.472 42.264 42.059 -0.447 0.000 1.138 29 L HN 0.324 nan 8.230 nan 0.000 0.491 30 P HA 0.303 nan 4.420 nan 0.000 0.281 30 P C -2.551 174.768 177.300 0.032 0.000 1.252 30 P CA -1.565 61.405 63.100 -0.218 0.000 0.778 30 P CB 0.311 31.825 31.700 -0.311 0.000 0.895 31 P HA -0.009 nan 4.420 nan 0.000 0.271 31 P C 0.266 177.483 177.300 -0.138 0.000 1.233 31 P CA -0.088 63.015 63.100 0.005 0.000 0.795 31 P CB 0.250 31.927 31.700 -0.037 0.000 0.936 32 I N 1.337 121.709 120.570 -0.331 0.000 2.872 32 I HA -0.120 4.050 4.170 -0.000 0.000 0.291 32 I C 1.521 177.521 176.117 -0.195 0.000 1.216 32 I CA 0.967 62.086 61.300 -0.303 0.000 1.424 32 I CB -0.742 37.077 38.000 -0.301 0.000 1.351 32 I HN 0.355 nan 8.210 nan 0.000 0.592 33 L N 2.043 123.157 121.223 -0.182 0.000 4.793 33 L HA -0.262 4.078 4.340 -0.000 0.000 0.404 33 L C -0.111 176.699 176.870 -0.099 0.000 1.022 33 L CA -0.006 54.706 54.840 -0.212 0.000 1.242 33 L CB -1.588 40.271 42.059 -0.333 0.000 2.049 33 L HN 0.699 nan 8.230 nan 0.000 0.637 34 N N 0.676 119.340 118.700 -0.060 0.000 2.515 34 N HA 0.555 5.295 4.740 -0.000 0.000 0.279 34 N C 0.293 175.816 175.510 0.021 0.000 1.164 34 N CA 0.602 53.643 53.050 -0.015 0.000 0.982 34 N CB 1.302 39.771 38.487 -0.029 0.000 1.170 34 N HN 0.246 nan 8.380 nan 0.000 0.474 35 A N 2.852 125.697 122.820 0.042 0.000 2.415 35 A HA 0.356 4.676 4.320 -0.000 0.000 0.309 35 A C -0.022 177.602 177.584 0.066 0.000 1.356 35 A CA -0.463 51.609 52.037 0.058 0.000 0.998 35 A CB -0.645 18.392 19.000 0.063 0.000 1.145 35 A HN 0.609 nan 8.150 nan 0.000 0.545 36 L N 2.110 123.383 121.223 0.083 0.000 2.371 36 L HA 0.336 4.676 4.340 -0.000 0.000 0.272 36 L C 0.306 177.227 176.870 0.085 0.000 1.124 36 L CA -0.132 54.779 54.840 0.118 0.000 0.816 36 L CB 0.848 43.009 42.059 0.170 0.000 1.129 36 L HN 0.611 nan 8.230 nan 0.000 0.448 37 E N 2.825 123.070 120.200 0.075 0.000 2.256 37 E HA 0.226 4.576 4.350 -0.000 0.000 0.243 37 E C -0.797 175.824 176.600 0.036 0.000 0.925 37 E CA -0.569 55.860 56.400 0.049 0.000 0.748 37 E CB 1.878 31.601 29.700 0.039 0.000 1.206 37 E HN 0.287 nan 8.360 nan 0.000 0.428 38 V N 3.354 123.287 119.914 0.031 0.000 2.790 38 V HA -0.173 3.947 4.120 -0.000 0.000 0.304 38 V C 0.726 176.823 176.094 0.006 0.000 1.142 38 V CA 0.781 63.090 62.300 0.015 0.000 1.282 38 V CB 0.169 32.001 31.823 0.014 0.000 0.877 38 V HN 0.554 nan 8.190 nan 0.000 0.504 39 Q N 2.612 122.409 119.800 -0.006 0.000 2.222 39 Q HA 0.509 4.848 4.340 -0.000 0.000 0.252 39 Q C 0.797 176.793 176.000 -0.008 0.000 0.926 39 Q CA 0.336 56.135 55.803 -0.008 0.000 0.899 39 Q CB 1.675 30.403 28.738 -0.017 0.000 1.250 39 Q HN 1.188 nan 8.270 nan 0.000 0.441 40 G N 2.309 111.106 108.800 -0.006 0.000 2.401 40 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.283 40 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.283 40 G C -0.359 174.539 174.900 -0.003 0.000 1.117 40 G CA -0.069 45.028 45.100 -0.006 0.000 1.051 40 G HN 0.462 nan 8.290 nan 0.000 0.510 41 R N -1.018 119.482 120.500 -0.000 0.000 2.707 41 R HA 0.399 4.739 4.340 -0.000 0.000 0.272 41 R C 1.036 177.337 176.300 0.002 0.000 1.011 41 R CA -0.731 55.370 56.100 0.001 0.000 0.893 41 R CB 1.201 31.503 30.300 0.003 0.000 1.233 41 R HN 0.245 nan 8.270 nan 0.000 0.464 42 E N 0.335 120.536 120.200 0.002 0.000 2.153 42 E HA -0.075 4.275 4.350 -0.000 0.000 0.194 42 E C -0.120 176.482 176.600 0.004 0.000 0.988 42 E CA 1.186 57.588 56.400 0.003 0.000 0.811 42 E CB 0.193 29.894 29.700 0.002 0.000 0.746 42 E HN 0.499 nan 8.360 nan 0.000 0.466 43 T N 0.282 114.839 114.554 0.005 0.000 2.848 43 T HA 0.361 4.711 4.350 -0.000 0.000 0.285 43 T C -0.335 174.370 174.700 0.009 0.000 0.995 43 T CA -0.911 61.193 62.100 0.007 0.000 0.970 43 T CB 1.888 70.759 68.868 0.006 0.000 0.976 43 T HN -0.058 nan 8.240 nan 0.000 0.441 44 R N 1.603 122.110 120.500 0.011 0.000 2.614 44 R HA -0.003 4.337 4.340 -0.000 0.000 0.335 44 R C -0.471 175.840 176.300 0.018 0.000 0.859 44 R CA -0.302 55.807 56.100 0.016 0.000 1.123 44 R CB -0.185 30.127 30.300 0.019 0.000 0.887 44 R HN 0.376 nan 8.270 nan 0.000 0.407 45 L N 5.692 126.926 121.223 0.018 0.000 2.321 45 L HA 0.210 4.550 4.340 -0.000 0.000 0.272 45 L C -0.563 176.323 176.870 0.028 0.000 1.050 45 L CA -0.465 54.387 54.840 0.021 0.000 0.893 45 L CB 1.236 43.305 42.059 0.017 0.000 1.272 45 L HN 0.221 nan 8.230 nan 0.000 0.435 46 V N 5.666 125.599 119.914 0.032 0.000 2.637 46 V HA 0.221 4.340 4.120 -0.000 0.000 0.296 46 V C 0.533 176.653 176.094 0.044 0.000 1.046 46 V CA -0.193 62.131 62.300 0.041 0.000 1.066 46 V CB 1.179 33.029 31.823 0.045 0.000 0.968 46 V HN 0.546 nan 8.190 nan 0.000 0.483 47 L N 4.411 125.666 121.223 0.053 0.000 2.331 47 L HA 0.640 4.980 4.340 -0.000 0.000 0.275 47 L C -0.068 176.837 176.870 0.059 0.000 1.022 47 L CA -0.452 54.421 54.840 0.055 0.000 0.812 47 L CB 1.837 43.934 42.059 0.064 0.000 1.257 47 L HN 0.683 nan 8.230 nan 0.000 0.435 48 E N 1.595 121.827 120.200 0.053 0.000 2.187 48 E HA 0.423 4.773 4.350 -0.000 0.000 0.268 48 E C -1.361 175.254 176.600 0.025 0.000 0.896 48 E CA -0.771 55.659 56.400 0.049 0.000 0.766 48 E CB 2.110 31.854 29.700 0.072 0.000 1.142 48 E HN 0.323 nan 8.360 nan 0.000 0.408 49 V N 4.056 123.970 119.914 0.000 0.000 2.521 49 V HA 0.243 4.363 4.120 -0.000 0.000 0.286 49 V C 0.851 176.910 176.094 -0.059 0.000 1.034 49 V CA 0.666 62.953 62.300 -0.021 0.000 1.045 49 V CB 0.515 32.310 31.823 -0.048 0.000 0.974 49 V HN 0.910 nan 8.190 nan 0.000 0.480 50 A N 4.141 126.936 122.820 -0.042 0.000 1.944 50 A HA 0.296 4.616 4.320 -0.000 0.000 0.209 50 A C 0.770 178.304 177.584 -0.083 0.000 1.328 50 A CA 0.251 52.255 52.037 -0.055 0.000 0.693 50 A CB 0.222 19.209 19.000 -0.022 0.000 0.994 50 A HN 0.764 nan 8.150 nan 0.000 0.485 51 Q N -0.700 119.067 119.800 -0.054 0.000 2.394 51 Q HA 0.443 4.783 4.340 -0.000 0.000 0.273 51 Q C -1.618 174.387 176.000 0.007 0.000 1.089 51 Q CA -0.542 55.229 55.803 -0.054 0.000 0.812 51 Q CB 1.938 30.671 28.738 -0.009 0.000 1.353 51 Q HN 0.661 nan 8.270 nan 0.000 0.438 52 H N 1.591 120.643 119.070 -0.029 0.000 2.668 52 H HA 0.171 4.727 4.556 -0.000 0.000 0.303 52 H C 0.553 175.873 175.328 -0.014 0.000 1.074 52 H CA -0.298 55.734 56.048 -0.027 0.000 1.406 52 H CB 1.101 30.840 29.762 -0.037 0.000 1.442 52 H HN 0.440 nan 8.280 nan 0.000 0.482 53 L N 2.877 124.172 121.223 0.120 0.000 2.354 53 L HA 0.192 4.532 4.340 -0.000 0.000 0.212 53 L C 0.963 177.857 176.870 0.040 0.000 1.091 53 L CA 0.640 55.518 54.840 0.063 0.000 0.828 53 L CB 0.163 42.253 42.059 0.053 0.000 0.973 53 L HN 0.971 nan 8.230 nan 0.000 0.461 54 G N 0.163 108.979 108.800 0.025 0.000 2.619 54 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.686 54 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.686 54 G C -0.050 174.850 174.900 0.000 0.000 1.256 54 G CA -0.399 44.703 45.100 0.003 0.000 0.826 54 G HN 0.291 nan 8.290 nan 0.000 0.619 55 E N -0.777 119.419 120.200 -0.006 0.000 2.416 55 E HA -0.187 4.163 4.350 -0.000 0.000 0.249 55 E C 1.049 177.651 176.600 0.004 0.000 1.124 55 E CA 1.079 57.479 56.400 -0.000 0.000 0.732 55 E CB -1.496 28.208 29.700 0.008 0.000 1.286 55 E HN 2.002 nan 8.360 nan 0.000 0.394 56 S N -1.574 114.115 115.700 -0.019 0.000 3.419 56 S HA -0.240 4.230 4.470 -0.000 0.000 0.350 56 S C 0.252 174.873 174.600 0.035 0.000 1.128 56 S CA 1.534 59.724 58.200 -0.017 0.000 0.999 56 S CB -0.997 62.216 63.200 0.022 0.000 0.923 56 S HN 0.472 nan 8.310 nan 0.000 0.522 57 T N 1.341 115.911 114.554 0.025 0.000 2.867 57 T HA 0.639 4.988 4.350 -0.000 0.000 0.282 57 T C 0.343 175.086 174.700 0.070 0.000 1.000 57 T CA -0.269 61.873 62.100 0.071 0.000 1.042 57 T CB 1.817 70.720 68.868 0.058 0.000 0.973 57 T HN 0.514 nan 8.240 nan 0.000 0.465 58 V N 1.136 121.122 119.914 0.121 0.000 2.960 58 V HA 0.805 4.925 4.120 -0.000 0.000 0.315 58 V C -0.368 175.794 176.094 0.112 0.000 1.087 58 V CA -1.419 60.970 62.300 0.149 0.000 0.982 58 V CB 1.897 33.820 31.823 0.166 0.000 1.039 58 V HN 0.859 nan 8.190 nan 0.000 0.437 59 R N 1.401 121.951 120.500 0.084 0.000 2.643 59 R HA 0.850 5.189 4.340 -0.000 0.000 0.272 59 R C -0.366 175.961 176.300 0.045 0.000 0.995 59 R CA 0.414 56.547 56.100 0.055 0.000 1.032 59 R CB 1.847 32.168 30.300 0.034 0.000 1.126 59 R HN 1.227 nan 8.270 nan 0.000 0.505 60 T N 0.859 115.437 114.554 0.040 0.000 2.868 60 T HA 0.459 4.809 4.350 -0.000 0.000 0.306 60 T C -0.180 174.536 174.700 0.026 0.000 1.224 60 T CA -1.006 61.114 62.100 0.034 0.000 1.012 60 T CB 0.918 69.817 68.868 0.052 0.000 1.221 60 T HN 0.606 nan 8.240 nan 0.000 0.499 61 I N -0.130 120.454 120.570 0.023 0.000 2.525 61 I HA 0.870 5.040 4.170 -0.000 0.000 0.301 61 I C 0.028 176.162 176.117 0.028 0.000 0.992 61 I CA -1.435 59.877 61.300 0.020 0.000 1.162 61 I CB 1.421 39.431 38.000 0.015 0.000 1.332 61 I HN 0.919 nan 8.210 nan 0.000 0.458 62 A N 6.744 129.578 122.820 0.023 0.000 2.309 62 A HA 0.564 4.884 4.320 -0.000 0.000 0.298 62 A C 0.488 178.087 177.584 0.024 0.000 1.165 62 A CA -0.734 51.317 52.037 0.025 0.000 0.821 62 A CB 0.830 19.841 19.000 0.019 0.000 1.102 62 A HN 0.823 nan 8.150 nan 0.000 0.500 63 M N 1.827 121.444 119.600 0.028 0.000 2.608 63 M HA 0.220 4.700 4.480 -0.000 0.000 0.224 63 M C 0.002 176.315 176.300 0.020 0.000 1.204 63 M CA 0.527 55.843 55.300 0.026 0.000 0.984 63 M CB -1.558 31.061 32.600 0.031 0.000 1.691 63 M HN 0.796 nan 8.290 nan 0.000 0.469 64 D N -1.369 119.041 120.400 0.017 0.000 2.993 64 D HA 0.160 4.800 4.640 -0.000 0.000 0.284 64 D C -0.581 175.726 176.300 0.011 0.000 1.172 64 D CA -0.190 53.818 54.000 0.014 0.000 0.729 64 D CB 0.992 41.800 40.800 0.014 0.000 1.270 64 D HN 0.238 nan 8.370 nan 0.000 0.436 65 G N -0.610 108.195 108.800 0.009 0.000 2.647 65 G HA2 0.286 4.246 3.960 -0.000 0.000 0.234 65 G HA3 0.286 4.246 3.960 -0.000 0.000 0.234 65 G C 0.957 175.862 174.900 0.007 0.000 1.252 65 G CA 0.942 46.046 45.100 0.007 0.000 0.846 65 G HN 0.471 nan 8.290 nan 0.000 0.589 66 T N -2.176 112.381 114.554 0.006 0.000 3.044 66 T HA 0.155 4.505 4.350 -0.000 0.000 0.260 66 T C 0.748 175.450 174.700 0.004 0.000 1.019 66 T CA 0.284 62.387 62.100 0.006 0.000 0.921 66 T CB 0.059 68.931 68.868 0.007 0.000 1.053 66 T HN 0.675 nan 8.240 nan 0.000 0.533 67 E N 2.324 122.525 120.200 0.003 0.000 2.608 67 E HA 0.209 4.559 4.350 -0.000 0.000 0.259 67 E C 1.163 177.764 176.600 0.001 0.000 0.951 67 E CA 0.891 57.292 56.400 0.002 0.000 0.945 67 E CB -0.334 29.367 29.700 0.002 0.000 0.916 67 E HN 0.628 nan 8.360 nan 0.000 0.477 68 G N 2.764 111.564 108.800 0.000 0.000 2.159 68 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.256 68 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.256 68 G C 0.212 175.111 174.900 -0.002 0.000 0.977 68 G CA 0.211 45.311 45.100 -0.001 0.000 0.652 68 G HN 0.488 nan 8.290 nan 0.000 0.531 69 L N 0.709 121.931 121.223 -0.001 0.000 2.416 69 L HA 0.508 4.847 4.340 -0.000 0.000 0.272 69 L C 0.729 177.596 176.870 -0.005 0.000 1.161 69 L CA -0.627 54.211 54.840 -0.003 0.000 0.845 69 L CB 1.245 43.303 42.059 -0.000 0.000 1.119 69 L HN -0.011 nan 8.230 nan 0.000 0.464 70 V N 2.598 122.508 119.914 -0.008 0.000 2.581 70 V HA 0.381 4.501 4.120 -0.000 0.000 0.303 70 V C 0.021 176.107 176.094 -0.012 0.000 1.041 70 V CA -1.056 61.238 62.300 -0.009 0.000 0.907 70 V CB 1.679 33.496 31.823 -0.011 0.000 0.994 70 V HN 0.728 nan 8.190 nan 0.000 0.442 71 R N 2.860 123.353 120.500 -0.011 0.000 2.446 71 R HA 0.473 4.813 4.340 -0.000 0.000 0.314 71 R C 0.981 177.269 176.300 -0.020 0.000 1.003 71 R CA 0.510 56.602 56.100 -0.013 0.000 1.018 71 R CB -0.326 29.969 30.300 -0.009 0.000 0.945 71 R HN 1.200 nan 8.270 nan 0.000 0.419 72 G N 1.909 110.692 108.800 -0.029 0.000 2.380 72 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.197 72 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.197 72 G C 0.171 175.044 174.900 -0.045 0.000 1.001 72 G CA -0.309 44.769 45.100 -0.037 0.000 0.668 72 G HN 0.601 nan 8.290 nan 0.000 0.483 73 Q N 1.170 120.947 119.800 -0.038 0.000 2.304 73 Q HA 0.387 4.727 4.340 -0.000 0.000 0.301 73 Q C 0.301 176.265 176.000 -0.060 0.000 1.063 73 Q CA 0.509 56.289 55.803 -0.039 0.000 0.947 73 Q CB 0.307 29.029 28.738 -0.027 0.000 1.201 73 Q HN 0.283 nan 8.270 nan 0.000 0.389 74 K N 1.839 122.203 120.400 -0.060 0.000 2.368 74 K HA 0.227 4.547 4.320 -0.000 0.000 0.282 74 K C -1.298 175.253 176.600 -0.082 0.000 1.035 74 K CA -0.058 56.179 56.287 -0.084 0.000 0.973 74 K CB 0.887 33.347 32.500 -0.066 0.000 0.957 74 K HN 0.342 nan 8.250 nan 0.000 0.474 75 V N 4.680 124.515 119.914 -0.132 0.000 2.604 75 V HA 0.370 4.490 4.120 -0.000 0.000 0.305 75 V C -0.888 175.158 176.094 -0.080 0.000 1.043 75 V CA -1.039 61.208 62.300 -0.088 0.000 0.888 75 V CB 1.767 33.544 31.823 -0.075 0.000 0.995 75 V HN 0.555 nan 8.190 nan 0.000 0.429 76 L N 4.086 125.319 121.223 0.017 0.000 2.316 76 L HA 0.528 4.868 4.340 -0.000 0.000 0.280 76 L C -0.509 176.443 176.870 0.136 0.000 1.006 76 L CA -0.229 54.646 54.840 0.059 0.000 0.836 76 L CB 1.361 43.437 42.059 0.028 0.000 1.221 76 L HN 0.805 nan 8.230 nan 0.000 0.418 77 D N 2.653 123.199 120.400 0.242 0.000 2.417 77 D HA -0.031 4.609 4.640 -0.000 0.000 0.250 77 D C 1.082 177.442 176.300 0.100 0.000 1.166 77 D CA 0.336 54.457 54.000 0.201 0.000 0.881 77 D CB 1.431 42.362 40.800 0.218 0.000 1.164 77 D HN 0.608 nan 8.370 nan 0.000 0.467 78 S N 2.460 118.199 115.700 0.066 0.000 2.558 78 S HA 0.182 4.652 4.470 -0.000 0.000 0.217 78 S C 1.605 176.217 174.600 0.020 0.000 0.975 78 S CA 0.435 58.656 58.200 0.036 0.000 0.912 78 S CB -0.172 63.046 63.200 0.032 0.000 0.776 78 S HN 0.968 nan 8.310 nan 0.000 0.526 79 G N 0.342 109.153 108.800 0.019 0.000 2.147 79 G HA2 0.126 4.086 3.960 -0.000 0.000 0.244 79 G HA3 0.126 4.086 3.960 -0.000 0.000 0.244 79 G C 0.152 175.054 174.900 0.003 0.000 1.005 79 G CA -0.050 45.053 45.100 0.005 0.000 0.713 79 G HN 1.579 nan 8.290 nan 0.000 0.515 80 A N -1.455 121.372 122.820 0.011 0.000 2.564 80 A HA 0.935 5.255 4.320 -0.000 0.000 0.291 80 A C -2.964 174.641 177.584 0.035 0.000 1.102 80 A CA -0.453 51.596 52.037 0.020 0.000 0.660 80 A CB 0.866 19.880 19.000 0.024 0.000 1.283 80 A HN 0.128 nan 8.150 nan 0.000 0.430 81 P HA 0.444 nan 4.420 nan 0.000 0.297 81 P C -0.315 177.050 177.300 0.109 0.000 1.303 81 P CA -0.525 62.636 63.100 0.102 0.000 0.753 81 P CB 0.191 32.000 31.700 0.181 0.000 1.281 82 I N 0.306 120.957 120.570 0.136 0.000 2.741 82 I HA -0.068 4.102 4.170 -0.000 0.000 0.288 82 I C 0.998 177.167 176.117 0.087 0.000 1.192 82 I CA 0.965 62.321 61.300 0.093 0.000 1.426 82 I CB -0.190 37.852 38.000 0.070 0.000 1.367 82 I HN 0.127 nan 8.210 nan 0.000 0.563 83 R N 6.884 127.445 120.500 0.103 0.000 2.599 83 R HA 0.734 5.074 4.340 -0.000 0.000 0.295 83 R C -1.054 175.359 176.300 0.188 0.000 0.963 83 R CA -0.833 55.356 56.100 0.148 0.000 0.883 83 R CB 2.015 32.425 30.300 0.183 0.000 1.171 83 R HN 0.534 nan 8.270 nan 0.000 0.450 84 I N -1.215 119.417 120.570 0.104 0.000 2.934 84 I HA 0.636 4.806 4.170 -0.000 0.000 0.306 84 I C -2.825 173.095 176.117 -0.328 0.000 1.110 84 I CA -3.202 58.065 61.300 -0.055 0.000 1.019 84 I CB 1.839 39.798 38.000 -0.069 0.000 1.227 84 I HN 0.340 nan 8.210 nan 0.000 0.434 85 P HA 0.407 nan 4.420 nan 0.000 0.272 85 P C -0.830 176.172 177.300 -0.496 0.000 1.230 85 P CA -0.240 62.333 63.100 -0.879 0.000 0.788 85 P CB 0.890 32.161 31.700 -0.716 0.000 0.949 86 V N -2.675 116.928 119.914 -0.520 0.000 3.232 86 V HA 0.971 5.091 4.120 -0.000 0.000 0.303 86 V C -0.320 175.256 176.094 -0.863 0.000 1.311 86 V CA -0.054 61.916 62.300 -0.550 0.000 1.061 86 V CB 1.322 32.869 31.823 -0.460 0.000 1.085 86 V HN 1.021 nan 8.190 nan 0.000 0.447 87 G N 1.673 109.722 108.800 -1.251 0.000 2.498 87 G HA2 0.048 4.008 3.960 -0.000 0.000 0.651 87 G HA3 0.048 4.008 3.960 -0.000 0.000 0.651 87 G C -2.629 172.009 174.900 -0.437 0.000 1.284 87 G CA -0.038 44.252 45.100 -1.349 0.000 0.950 87 G HN 0.817 nan 8.290 nan 0.000 0.511 88 P HA 0.095 nan 4.420 nan 0.000 0.226 88 P C 1.190 178.449 177.300 -0.069 0.000 1.153 88 P CA 1.329 64.439 63.100 0.017 0.000 0.777 88 P CB 0.050 31.779 31.700 0.048 0.000 0.794 89 E N -1.418 118.711 120.200 -0.117 0.000 2.511 89 E HA -0.067 4.283 4.350 -0.000 0.000 0.196 89 E C 1.598 178.132 176.600 -0.111 0.000 1.066 89 E CA 1.063 57.398 56.400 -0.108 0.000 0.871 89 E CB -0.842 28.787 29.700 -0.119 0.000 0.863 89 E HN 0.409 nan 8.360 nan 0.000 0.520 90 T N -1.899 112.595 114.554 -0.099 0.000 3.031 90 T HA 0.098 4.448 4.350 -0.000 0.000 0.254 90 T C 0.924 175.588 174.700 -0.060 0.000 1.060 90 T CA -0.294 61.757 62.100 -0.082 0.000 1.135 90 T CB -0.270 68.565 68.868 -0.055 0.000 0.896 90 T HN -0.010 nan 8.240 nan 0.000 0.472 91 L N 2.633 123.819 121.223 -0.061 0.000 2.700 91 L HA 0.294 4.634 4.340 -0.000 0.000 0.276 91 L C 1.738 178.563 176.870 -0.074 0.000 1.200 91 L CA 1.089 55.864 54.840 -0.109 0.000 0.951 91 L CB -0.545 41.369 42.059 -0.241 0.000 1.226 91 L HN 0.671 nan 8.230 nan 0.000 0.489 92 G N 1.786 110.559 108.800 -0.046 0.000 2.234 92 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.235 92 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.235 92 G C 0.489 175.380 174.900 -0.015 0.000 0.997 92 G CA -0.483 44.614 45.100 -0.004 0.000 0.623 92 G HN 0.462 nan 8.290 nan 0.000 0.514 93 R N 0.027 120.483 120.500 -0.073 0.000 2.546 93 R HA 0.772 5.112 4.340 -0.000 0.000 0.266 93 R C 0.109 176.273 176.300 -0.228 0.000 1.086 93 R CA -0.808 55.214 56.100 -0.130 0.000 1.160 93 R CB 0.425 30.655 30.300 -0.117 0.000 1.138 93 R HN 0.314 nan 8.270 nan 0.000 0.567 94 I N 2.645 123.026 120.570 -0.315 0.000 2.493 94 I HA 0.252 4.422 4.170 -0.000 0.000 0.279 94 I C 0.151 176.078 176.117 -0.317 0.000 1.045 94 I CA -0.393 60.640 61.300 -0.445 0.000 1.106 94 I CB 1.195 38.755 38.000 -0.732 0.000 1.216 94 I HN 0.374 nan 8.210 nan 0.000 0.459 95 M N 5.185 124.651 119.600 -0.223 0.000 2.478 95 M HA 0.539 5.019 4.480 -0.000 0.000 0.327 95 M C -0.550 175.686 176.300 -0.107 0.000 1.187 95 M CA -0.340 54.871 55.300 -0.149 0.000 1.022 95 M CB 1.654 34.183 32.600 -0.117 0.000 1.629 95 M HN 0.441 nan 8.290 nan 0.000 0.461 96 N N 2.055 120.714 118.700 -0.068 0.000 2.431 96 N HA 0.092 4.832 4.740 -0.000 0.000 0.289 96 N C 0.693 176.200 175.510 -0.006 0.000 1.277 96 N CA -0.374 52.665 53.050 -0.019 0.000 0.972 96 N CB 0.000 38.483 38.487 -0.008 0.000 1.143 96 N HN 0.657 nan 8.380 nan 0.000 0.578 97 V N -0.582 119.339 119.914 0.011 0.000 2.469 97 V HA -0.120 4.000 4.120 -0.000 0.000 0.251 97 V C 1.460 177.553 176.094 -0.002 0.000 1.064 97 V CA 1.908 64.212 62.300 0.007 0.000 1.066 97 V CB -0.871 30.961 31.823 0.015 0.000 0.667 97 V HN 0.642 nan 8.190 nan 0.000 0.461 98 I N -2.573 118.000 120.570 0.004 0.000 3.884 98 I HA 0.615 4.785 4.170 -0.000 0.000 0.330 98 I C 1.305 177.427 176.117 0.008 0.000 1.451 98 I CA 0.436 61.744 61.300 0.012 0.000 1.165 98 I CB -0.173 37.843 38.000 0.026 0.000 1.097 98 I HN 0.320 nan 8.210 nan 0.000 0.404 99 G N 1.161 109.949 108.800 -0.020 0.000 2.199 99 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.254 99 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.254 99 G C -0.009 174.861 174.900 -0.050 0.000 0.982 99 G CA -0.003 45.069 45.100 -0.047 0.000 0.632 99 G HN 0.647 nan 8.290 nan 0.000 0.529 100 E N 1.923 122.107 120.200 -0.028 0.000 2.376 100 E HA 0.325 4.675 4.350 -0.000 0.000 0.266 100 E C -2.488 174.075 176.600 -0.062 0.000 1.009 100 E CA -1.458 54.924 56.400 -0.031 0.000 0.902 100 E CB 0.728 30.418 29.700 -0.017 0.000 0.972 100 E HN 0.241 nan 8.360 nan 0.000 0.439 101 P HA 0.059 nan 4.420 nan 0.000 0.276 101 P C 0.193 177.435 177.300 -0.096 0.000 1.230 101 P CA 0.069 63.111 63.100 -0.098 0.000 0.776 101 P CB 0.323 31.971 31.700 -0.086 0.000 0.888 102 I N -0.576 119.910 120.570 -0.139 0.000 3.947 102 I HA 0.264 4.434 4.170 -0.000 0.000 0.327 102 I C 0.072 176.091 176.117 -0.162 0.000 1.519 102 I CA -0.187 61.037 61.300 -0.126 0.000 1.122 102 I CB 0.222 38.151 38.000 -0.118 0.000 1.146 102 I HN 0.047 nan 8.210 nan 0.000 0.442 103 D N 0.848 121.137 120.400 -0.185 0.000 2.325 103 D HA -0.029 4.611 4.640 -0.000 0.000 0.225 103 D C 0.507 176.779 176.300 -0.047 0.000 1.096 103 D CA -0.044 53.850 54.000 -0.176 0.000 0.844 103 D CB -0.210 40.431 40.800 -0.264 0.000 0.925 103 D HN 0.509 nan 8.370 nan 0.000 0.513 104 E N -0.197 119.977 120.200 -0.043 0.000 3.065 104 E HA -0.273 4.077 4.350 -0.000 0.000 0.277 104 E C 0.039 176.639 176.600 -0.002 0.000 1.008 104 E CA 0.453 56.846 56.400 -0.012 0.000 0.864 104 E CB -1.436 28.269 29.700 0.008 0.000 1.439 104 E HN 0.519 nan 8.360 nan 0.000 0.445 105 R N 0.495 120.989 120.500 -0.010 0.000 2.893 105 R HA 0.331 4.671 4.340 -0.000 0.000 0.317 105 R C 0.960 177.253 176.300 -0.012 0.000 1.239 105 R CA 0.351 56.451 56.100 0.000 0.000 1.128 105 R CB 0.813 31.121 30.300 0.012 0.000 1.377 105 R HN 0.326 nan 8.270 nan 0.000 0.583 106 G N 2.044 110.836 108.800 -0.014 0.000 2.542 106 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.235 106 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.235 106 G C -2.789 172.097 174.900 -0.023 0.000 1.286 106 G CA -0.967 44.125 45.100 -0.014 0.000 0.904 106 G HN 0.245 nan 8.290 nan 0.000 0.577 107 P HA 0.678 nan 4.420 nan 0.000 0.292 107 P C -0.449 176.827 177.300 -0.041 0.000 1.308 107 P CA -0.925 62.160 63.100 -0.025 0.000 0.933 107 P CB 1.143 32.840 31.700 -0.006 0.000 1.217 108 I N 1.538 122.071 120.570 -0.062 0.000 2.260 108 I HA 0.129 4.299 4.170 -0.000 0.000 0.297 108 I C 0.648 176.709 176.117 -0.094 0.000 1.143 108 I CA -0.367 60.876 61.300 -0.096 0.000 1.271 108 I CB -0.298 37.615 38.000 -0.144 0.000 1.461 108 I HN 0.056 nan 8.210 nan 0.000 0.530 109 K N 5.630 125.991 120.400 -0.064 0.000 2.110 109 K HA 0.330 4.650 4.320 -0.000 0.000 0.260 109 K C -0.476 176.092 176.600 -0.054 0.000 1.126 109 K CA -0.166 56.100 56.287 -0.036 0.000 1.005 109 K CB -0.424 32.065 32.500 -0.018 0.000 1.336 109 K HN 0.391 nan 8.250 nan 0.000 0.369 110 T N 1.262 115.777 114.554 -0.065 0.000 2.906 110 T HA 0.208 4.558 4.350 -0.000 0.000 0.295 110 T C 0.850 175.575 174.700 0.041 0.000 1.061 110 T CA -1.141 60.912 62.100 -0.078 0.000 1.000 110 T CB 2.044 70.779 68.868 -0.222 0.000 1.103 110 T HN 0.354 nan 8.240 nan 0.000 0.486 111 K N 1.036 121.458 120.400 0.037 0.000 1.984 111 K HA -0.023 4.297 4.320 -0.000 0.000 0.209 111 K C 0.295 177.011 176.600 0.192 0.000 1.046 111 K CA 0.880 57.228 56.287 0.103 0.000 0.934 111 K CB -0.223 32.311 32.500 0.057 0.000 0.717 111 K HN 0.469 nan 8.250 nan 0.000 0.438 112 Q N 0.495 120.345 119.800 0.084 0.000 2.352 112 Q HA 0.300 4.640 4.340 -0.000 0.000 0.260 112 Q C -0.630 175.462 176.000 0.153 0.000 0.976 112 Q CA 0.218 56.091 55.803 0.117 0.000 0.881 112 Q CB 0.528 29.269 28.738 0.005 0.000 1.235 112 Q HN 0.105 nan 8.270 nan 0.000 0.419 113 F N -0.121 119.796 119.950 -0.055 0.000 2.661 113 F HA 0.888 5.415 4.527 -0.000 0.000 0.347 113 F C -0.150 175.633 175.800 -0.029 0.000 1.086 113 F CA -1.239 56.730 58.000 -0.052 0.000 1.016 113 F CB 1.755 40.735 39.000 -0.034 0.000 1.368 113 F HN 0.550 nan 8.300 nan 0.000 0.505 114 A N 0.357 123.272 122.820 0.158 0.000 2.604 114 A HA 0.758 5.078 4.320 -0.000 0.000 0.295 114 A C -1.699 175.935 177.584 0.085 0.000 1.067 114 A CA -0.616 51.478 52.037 0.096 0.000 0.683 114 A CB 0.833 19.864 19.000 0.051 0.000 1.281 114 A HN 0.984 nan 8.150 nan 0.000 0.407 115 A N 0.976 123.841 122.820 0.074 0.000 2.363 115 A HA 0.541 4.860 4.320 -0.000 0.000 0.270 115 A C 1.160 178.768 177.584 0.040 0.000 1.121 115 A CA 0.040 52.121 52.037 0.073 0.000 0.800 115 A CB -0.373 18.678 19.000 0.084 0.000 1.052 115 A HN 1.684 nan 8.150 nan 0.000 0.493 116 I N 0.140 120.712 120.570 0.004 0.000 2.353 116 I HA -0.041 4.129 4.170 -0.000 0.000 0.248 116 I C 0.640 176.668 176.117 -0.149 0.000 1.119 116 I CA 0.527 61.769 61.300 -0.097 0.000 1.417 116 I CB -0.629 37.266 38.000 -0.175 0.000 1.078 116 I HN 0.555 nan 8.210 nan 0.000 0.421 117 H N 2.401 121.481 119.070 0.016 0.000 2.607 117 H HA 0.726 5.282 4.556 -0.000 0.000 0.367 117 H C -0.038 175.297 175.328 0.011 0.000 1.181 117 H CA 0.276 56.331 56.048 0.013 0.000 1.402 117 H CB 1.319 31.087 29.762 0.010 0.000 1.474 117 H HN 0.509 nan 8.280 nan 0.000 0.596 118 A N 1.453 124.359 122.820 0.143 0.000 2.481 118 A HA 0.219 4.539 4.320 -0.000 0.000 0.295 118 A C -1.273 176.346 177.584 0.059 0.000 0.986 118 A CA -0.869 51.215 52.037 0.078 0.000 0.617 118 A CB 1.002 20.032 19.000 0.050 0.000 1.364 118 A HN 0.651 nan 8.150 nan 0.000 0.452 119 E N 0.534 120.759 120.200 0.041 0.000 2.204 119 E HA 0.564 4.914 4.350 -0.000 0.000 0.276 119 E C 0.313 176.930 176.600 0.028 0.000 0.974 119 E CA -0.377 56.044 56.400 0.036 0.000 0.815 119 E CB 2.032 31.751 29.700 0.031 0.000 1.119 119 E HN 1.114 nan 8.360 nan 0.000 0.393 120 A N 4.097 126.935 122.820 0.030 0.000 2.561 120 A HA 0.110 4.430 4.320 -0.000 0.000 0.234 120 A C -2.065 175.533 177.584 0.023 0.000 1.055 120 A CA -0.755 51.297 52.037 0.026 0.000 0.756 120 A CB -0.698 18.324 19.000 0.037 0.000 0.986 120 A HN 0.326 nan 8.150 nan 0.000 0.505 121 P HA -0.025 nan 4.420 nan 0.000 0.263 121 P C -0.070 177.244 177.300 0.022 0.000 1.162 121 P CA 0.523 63.626 63.100 0.005 0.000 0.758 121 P CB 0.351 32.041 31.700 -0.016 0.000 0.773 122 E N 1.995 122.213 120.200 0.030 0.000 2.404 122 E HA -0.026 4.324 4.350 -0.000 0.000 0.261 122 E C 0.919 177.569 176.600 0.083 0.000 1.074 122 E CA -0.172 56.268 56.400 0.067 0.000 0.917 122 E CB 0.133 29.871 29.700 0.063 0.000 0.965 122 E HN 0.418 nan 8.360 nan 0.000 0.433 123 F N 2.399 122.349 119.950 -0.000 0.000 2.147 123 F HA -0.266 4.261 4.527 -0.000 0.000 0.301 123 F C 1.927 177.725 175.800 -0.004 0.000 1.084 123 F CA 1.960 59.959 58.000 -0.002 0.000 1.268 123 F CB 0.028 39.026 39.000 -0.002 0.000 1.009 123 F HN 0.322 nan 8.300 nan 0.000 0.486 124 V N -1.872 118.114 119.914 0.119 0.000 3.217 124 V HA -0.061 4.059 4.120 -0.000 0.000 0.264 124 V C 1.424 177.484 176.094 -0.057 0.000 1.135 124 V CA 1.790 64.116 62.300 0.045 0.000 1.142 124 V CB -0.557 31.328 31.823 0.102 0.000 0.754 124 V HN 0.459 nan 8.190 nan 0.000 0.484 125 E N 0.191 120.350 120.200 -0.069 0.000 2.452 125 E HA 0.225 4.575 4.350 -0.000 0.000 0.197 125 E C 0.481 177.017 176.600 -0.108 0.000 1.022 125 E CA -0.187 56.172 56.400 -0.067 0.000 0.890 125 E CB 0.091 29.769 29.700 -0.036 0.000 0.918 125 E HN 0.509 nan 8.360 nan 0.000 0.496 126 M N 1.516 121.006 119.600 -0.184 0.000 2.228 126 M HA 0.079 4.559 4.480 -0.000 0.000 0.351 126 M C 0.509 176.704 176.300 -0.176 0.000 1.233 126 M CA 0.076 55.261 55.300 -0.192 0.000 1.129 126 M CB 0.832 33.260 32.600 -0.287 0.000 1.604 126 M HN -0.129 nan 8.290 nan 0.000 0.457 127 S N 2.248 117.875 115.700 -0.123 0.000 2.548 127 S HA 0.287 4.757 4.470 -0.000 0.000 0.277 127 S C 0.821 175.356 174.600 -0.109 0.000 1.315 127 S CA -0.744 57.394 58.200 -0.103 0.000 1.050 127 S CB 0.853 64.008 63.200 -0.075 0.000 0.918 127 S HN 0.635 nan 8.310 nan 0.000 0.497 128 V N 0.879 120.734 119.914 -0.097 0.000 3.647 128 V HA 0.436 4.556 4.120 -0.000 0.000 0.279 128 V C 0.251 176.309 176.094 -0.060 0.000 1.314 128 V CA 0.001 62.250 62.300 -0.085 0.000 1.125 128 V CB -0.569 31.208 31.823 -0.077 0.000 0.907 128 V HN 0.700 nan 8.190 nan 0.000 0.434 129 E N 1.832 121.999 120.200 -0.055 0.000 2.301 129 E HA 0.483 4.833 4.350 -0.000 0.000 0.275 129 E C -0.638 175.935 176.600 -0.045 0.000 1.030 129 E CA 0.006 56.379 56.400 -0.045 0.000 0.852 129 E CB 1.340 31.017 29.700 -0.039 0.000 1.060 129 E HN 0.679 nan 8.360 nan 0.000 0.401 130 Q N 1.889 121.664 119.800 -0.041 0.000 2.341 130 Q HA 0.358 4.698 4.340 -0.000 0.000 0.268 130 Q C -0.629 175.348 176.000 -0.038 0.000 1.013 130 Q CA -0.534 55.244 55.803 -0.040 0.000 0.798 130 Q CB 1.739 30.452 28.738 -0.040 0.000 1.253 130 Q HN 0.415 nan 8.270 nan 0.000 0.457 131 E N 1.445 121.623 120.200 -0.036 0.000 2.393 131 E HA 0.547 4.897 4.350 -0.000 0.000 0.273 131 E C -0.987 175.596 176.600 -0.028 0.000 0.918 131 E CA -1.157 55.224 56.400 -0.032 0.000 0.773 131 E CB 1.804 31.486 29.700 -0.030 0.000 1.275 131 E HN 0.509 nan 8.360 nan 0.000 0.451 132 I N 1.520 122.080 120.570 -0.018 0.000 2.396 132 I HA 0.198 4.368 4.170 -0.000 0.000 0.289 132 I C -0.735 175.377 176.117 -0.010 0.000 1.056 132 I CA -0.813 60.487 61.300 -0.001 0.000 1.365 132 I CB 0.592 38.599 38.000 0.012 0.000 1.407 132 I HN 0.604 nan 8.210 nan 0.000 0.509 133 L N 9.029 130.247 121.223 -0.009 0.000 2.433 133 L HA 0.325 4.665 4.340 -0.000 0.000 0.275 133 L C -0.605 176.284 176.870 0.032 0.000 1.128 133 L CA 0.276 55.086 54.840 -0.050 0.000 0.875 133 L CB 0.470 42.513 42.059 -0.027 0.000 1.171 133 L HN 0.504 nan 8.230 nan 0.000 0.463 134 V N 4.925 124.887 119.914 0.080 0.000 2.583 134 V HA 0.218 4.338 4.120 -0.000 0.000 0.287 134 V C 1.411 177.622 176.094 0.195 0.000 1.051 134 V CA 0.391 62.788 62.300 0.161 0.000 1.010 134 V CB 0.984 32.929 31.823 0.202 0.000 0.988 134 V HN 0.965 nan 8.190 nan 0.000 0.478 135 T N -0.419 114.170 114.554 0.058 0.000 3.014 135 T HA 0.238 4.588 4.350 -0.000 0.000 0.250 135 T C 1.501 176.206 174.700 0.009 0.000 1.060 135 T CA 0.751 62.866 62.100 0.026 0.000 1.040 135 T CB 0.345 69.166 68.868 -0.079 0.000 0.971 135 T HN 1.531 nan 8.240 nan 0.000 0.497 136 G N 1.928 110.738 108.800 0.015 0.000 2.189 136 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.267 136 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.267 136 G C 0.091 175.008 174.900 0.029 0.000 0.975 136 G CA 0.372 45.481 45.100 0.014 0.000 0.644 136 G HN 0.710 nan 8.290 nan 0.000 0.537 137 I N 0.396 120.977 120.570 0.019 0.000 2.371 137 I HA 0.225 4.395 4.170 -0.000 0.000 0.290 137 I C 1.600 177.726 176.117 0.014 0.000 1.028 137 I CA -0.547 60.796 61.300 0.071 0.000 1.345 137 I CB 1.229 39.281 38.000 0.087 0.000 1.407 137 I HN -0.029 nan 8.210 nan 0.000 0.501 138 K N 3.728 124.134 120.400 0.010 0.000 2.026 138 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 138 K C 1.819 178.390 176.600 -0.048 0.000 1.048 138 K CA 1.202 57.474 56.287 -0.025 0.000 0.929 138 K CB -0.059 32.392 32.500 -0.082 0.000 0.713 138 K HN 0.542 nan 8.250 nan 0.000 0.439 139 V N 1.065 120.952 119.914 -0.045 0.000 2.252 139 V HA -0.270 3.850 4.120 -0.000 0.000 0.249 139 V C 2.326 178.367 176.094 -0.088 0.000 1.056 139 V CA 1.806 64.060 62.300 -0.077 0.000 1.022 139 V CB -0.678 31.127 31.823 -0.031 0.000 0.641 139 V HN 0.078 nan 8.190 nan 0.000 0.445 140 V N 0.255 120.118 119.914 -0.085 0.000 2.244 140 V HA -0.228 3.892 4.120 -0.000 0.000 0.244 140 V C 2.343 178.354 176.094 -0.138 0.000 1.042 140 V CA 2.260 64.467 62.300 -0.156 0.000 1.006 140 V CB -0.809 30.819 31.823 -0.325 0.000 0.641 140 V HN 0.500 nan 8.190 nan 0.000 0.446 141 D N -0.107 120.229 120.400 -0.107 0.000 2.149 141 D HA -0.145 4.495 4.640 -0.000 0.000 0.198 141 D C 1.904 178.247 176.300 0.071 0.000 0.990 141 D CA 1.205 55.193 54.000 -0.020 0.000 0.839 141 D CB -0.211 40.589 40.800 -0.001 0.000 0.948 141 D HN 0.355 nan 8.370 nan 0.000 0.460 142 L N -0.069 121.142 121.223 -0.020 0.000 2.023 142 L HA -0.013 4.327 4.340 -0.000 0.000 0.205 142 L C 1.970 178.860 176.870 0.033 0.000 1.073 142 L CA 1.506 56.316 54.840 -0.051 0.000 0.745 142 L CB -0.275 41.610 42.059 -0.290 0.000 0.900 142 L HN -0.020 nan 8.230 nan 0.000 0.435 143 L N -1.043 120.144 121.223 -0.059 0.000 2.357 143 L HA 0.334 4.674 4.340 -0.000 0.000 0.211 143 L C 0.831 177.698 176.870 -0.005 0.000 1.075 143 L CA 0.509 55.318 54.840 -0.052 0.000 0.830 143 L CB -0.208 41.785 42.059 -0.111 0.000 0.996 143 L HN 0.272 nan 8.230 nan 0.000 0.467 144 A N 0.445 123.265 122.820 -0.000 0.000 3.370 144 A HA 0.505 4.825 4.320 -0.000 0.000 0.295 144 A C -2.665 174.947 177.584 0.046 0.000 1.030 144 A CA -0.888 51.170 52.037 0.035 0.000 0.883 144 A CB -0.182 18.852 19.000 0.056 0.000 1.191 144 A HN -0.129 nan 8.150 nan 0.000 0.507 145 P HA 0.219 nan 4.420 nan 0.000 0.271 145 P C -0.664 176.726 177.300 0.149 0.000 1.216 145 P CA 0.202 63.307 63.100 0.009 0.000 0.771 145 P CB 0.211 31.909 31.700 -0.003 0.000 0.864 146 Y N 1.320 121.624 120.300 0.006 0.000 2.511 146 Y HA 0.335 4.885 4.550 -0.000 0.000 0.332 146 Y C 1.200 177.082 175.900 -0.029 0.000 1.177 146 Y CA -1.209 56.883 58.100 -0.013 0.000 1.422 146 Y CB -0.375 38.074 38.460 -0.017 0.000 1.271 146 Y HN 0.360 nan 8.280 nan 0.000 0.550 147 A N 4.520 127.407 122.820 0.112 0.000 2.301 147 A HA 0.357 4.677 4.320 -0.000 0.000 0.312 147 A C 0.084 177.664 177.584 -0.006 0.000 1.182 147 A CA -1.030 51.025 52.037 0.030 0.000 0.826 147 A CB 0.233 19.235 19.000 0.003 0.000 1.134 147 A HN 0.742 nan 8.150 nan 0.000 0.501 148 K N 1.103 121.488 120.400 -0.025 0.000 2.466 148 K HA 0.205 4.525 4.320 -0.000 0.000 0.278 148 K C 1.169 177.736 176.600 -0.055 0.000 1.048 148 K CA 1.394 57.651 56.287 -0.051 0.000 1.088 148 K CB 0.036 32.497 32.500 -0.065 0.000 0.884 148 K HN 1.496 nan 8.250 nan 0.000 0.478 149 G N 2.259 111.019 108.800 -0.067 0.000 2.143 149 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.248 149 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.248 149 G C 0.388 175.247 174.900 -0.070 0.000 0.991 149 G CA -0.014 45.044 45.100 -0.069 0.000 0.689 149 G HN 0.849 nan 8.290 nan 0.000 0.522 150 G N -0.906 107.848 108.800 -0.077 0.000 2.488 150 G HA2 0.662 4.622 3.960 -0.000 0.000 0.318 150 G HA3 0.662 4.622 3.960 -0.000 0.000 0.318 150 G C -0.384 174.442 174.900 -0.123 0.000 1.188 150 G CA -0.692 44.362 45.100 -0.076 0.000 0.944 150 G HN 0.286 nan 8.290 nan 0.000 0.495 151 K N -0.597 119.739 120.400 -0.107 0.000 2.138 151 K HA 0.622 4.942 4.320 -0.000 0.000 0.263 151 K C -0.820 175.679 176.600 -0.169 0.000 0.965 151 K CA -0.379 55.820 56.287 -0.147 0.000 0.868 151 K CB 1.875 34.318 32.500 -0.095 0.000 1.083 151 K HN 0.222 nan 8.250 nan 0.000 0.443 152 I N 1.227 121.648 120.570 -0.249 0.000 2.436 152 I HA 0.341 4.511 4.170 -0.000 0.000 0.289 152 I C 0.394 176.422 176.117 -0.149 0.000 1.010 152 I CA -0.467 60.692 61.300 -0.235 0.000 1.098 152 I CB 2.085 39.776 38.000 -0.515 0.000 1.266 152 I HN 0.615 nan 8.210 nan 0.000 0.434 153 G N 5.791 114.578 108.800 -0.021 0.000 2.380 153 G HA2 0.493 4.453 3.960 -0.000 0.000 0.262 153 G HA3 0.493 4.453 3.960 -0.000 0.000 0.262 153 G C -1.056 173.917 174.900 0.122 0.000 1.243 153 G CA -0.208 44.884 45.100 -0.014 0.000 0.865 153 G HN 0.468 nan 8.290 nan 0.000 0.513 154 L N 3.189 124.321 121.223 -0.152 0.000 2.342 154 L HA 0.713 5.053 4.340 -0.000 0.000 0.276 154 L C -1.319 175.503 176.870 -0.081 0.000 0.997 154 L CA -1.008 53.862 54.840 0.049 0.000 0.838 154 L CB 0.628 42.718 42.059 0.051 0.000 1.224 154 L HN 0.354 nan 8.230 nan 0.000 0.416 155 F N 2.736 122.719 119.950 0.056 0.000 2.509 155 F HA 0.896 5.423 4.527 -0.000 0.000 0.334 155 F C 1.021 176.858 175.800 0.063 0.000 1.060 155 F CA -0.482 57.549 58.000 0.052 0.000 0.997 155 F CB 1.480 40.509 39.000 0.048 0.000 1.271 155 F HN 0.703 nan 8.300 nan 0.000 0.488 156 G N 0.199 109.143 108.800 0.240 0.000 2.879 156 G HA2 0.276 4.236 3.960 -0.000 0.000 0.686 156 G HA3 0.276 4.236 3.960 -0.000 0.000 0.686 156 G C 0.133 175.106 174.900 0.121 0.000 1.115 156 G CA -0.594 44.600 45.100 0.157 0.000 0.770 156 G HN 1.144 nan 8.290 nan 0.000 0.601 157 G N 1.062 109.926 108.800 0.106 0.000 3.056 157 G HA2 0.756 4.715 3.960 -0.000 0.000 0.175 157 G HA3 0.756 4.715 3.960 -0.000 0.000 0.175 157 G C 0.998 175.950 174.900 0.087 0.000 1.894 157 G CA 1.016 46.173 45.100 0.096 0.000 0.910 157 G HN 2.200 nan 8.290 nan 0.000 0.462 158 A N -1.466 121.400 122.820 0.077 0.000 2.293 158 A HA 0.593 4.913 4.320 -0.000 0.000 0.302 158 A C 1.016 178.643 177.584 0.072 0.000 1.119 158 A CA 0.563 52.641 52.037 0.068 0.000 0.823 158 A CB 0.059 19.093 19.000 0.056 0.000 1.097 158 A HN 2.316 nan 8.150 nan 0.000 0.491 159 G N -0.075 108.767 108.800 0.071 0.000 2.374 159 G HA2 0.093 4.053 3.960 -0.000 0.000 0.289 159 G HA3 0.093 4.053 3.960 -0.000 0.000 0.289 159 G C 0.233 175.190 174.900 0.095 0.000 1.004 159 G CA 0.820 45.965 45.100 0.076 0.000 1.292 159 G HN 2.132 nan 8.290 nan 0.000 0.502 160 V N -2.930 117.049 119.914 0.108 0.000 3.523 160 V HA 0.657 4.777 4.120 -0.000 0.000 0.273 160 V C 1.667 177.852 176.094 0.151 0.000 1.675 160 V CA 0.986 63.364 62.300 0.130 0.000 1.079 160 V CB 0.019 31.913 31.823 0.120 0.000 0.901 160 V HN 2.310 nan 8.190 nan 0.000 0.406 161 G N 1.027 109.906 108.800 0.133 0.000 2.205 161 G HA2 -0.241 3.719 3.960 -0.000 0.000 0.180 161 G HA3 -0.241 3.719 3.960 -0.000 0.000 0.180 161 G C 0.921 175.906 174.900 0.142 0.000 1.004 161 G CA 0.468 45.657 45.100 0.148 0.000 0.670 161 G HN 0.367 nan 8.290 nan 0.000 0.496 162 K N 0.325 120.800 120.400 0.126 0.000 2.052 162 K HA -0.212 4.108 4.320 -0.000 0.000 0.215 162 K C 2.424 179.077 176.600 0.089 0.000 1.053 162 K CA 2.491 58.850 56.287 0.120 0.000 0.934 162 K CB -0.421 32.144 32.500 0.109 0.000 0.717 162 K HN 0.431 nan 8.250 nan 0.000 0.450 163 T N 0.590 115.178 114.554 0.058 0.000 2.777 163 T HA -0.092 4.257 4.350 -0.000 0.000 0.266 163 T C 1.963 176.660 174.700 -0.005 0.000 1.040 163 T CA 1.446 63.550 62.100 0.006 0.000 1.141 163 T CB -0.167 68.695 68.868 -0.010 0.000 0.868 163 T HN 0.028 nan 8.240 nan 0.000 0.444 164 V N 1.601 121.543 119.914 0.046 0.000 2.358 164 V HA -0.058 4.062 4.120 -0.000 0.000 0.246 164 V C 2.395 178.510 176.094 0.035 0.000 1.047 164 V CA 1.008 63.347 62.300 0.066 0.000 1.035 164 V CB -0.812 31.105 31.823 0.155 0.000 0.658 164 V HN 0.295 nan 8.190 nan 0.000 0.452 165 L N -0.068 121.211 121.223 0.093 0.000 2.079 165 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 165 L C 2.143 179.017 176.870 0.006 0.000 1.081 165 L CA 1.828 56.701 54.840 0.056 0.000 0.752 165 L CB -0.465 41.698 42.059 0.174 0.000 0.896 165 L HN 0.203 nan 8.230 nan 0.000 0.433 166 I N -1.328 119.249 120.570 0.012 0.000 2.110 166 I HA -0.348 3.822 4.170 -0.000 0.000 0.236 166 I C 2.507 178.526 176.117 -0.164 0.000 1.068 166 I CA 1.821 63.062 61.300 -0.098 0.000 1.333 166 I CB -0.333 37.483 38.000 -0.307 0.000 1.054 166 I HN 0.276 nan 8.210 nan 0.000 0.402 167 M N 0.194 119.697 119.600 -0.163 0.000 2.089 167 M HA -0.295 4.185 4.480 -0.000 0.000 0.257 167 M C 2.219 178.452 176.300 -0.112 0.000 1.071 167 M CA 2.101 57.324 55.300 -0.129 0.000 1.096 167 M CB -0.449 32.097 32.600 -0.089 0.000 1.330 167 M HN 0.167 nan 8.290 nan 0.000 0.403 168 E N 0.525 120.609 120.200 -0.193 0.000 2.208 168 E HA -0.097 4.253 4.350 -0.000 0.000 0.193 168 E C 1.723 178.200 176.600 -0.204 0.000 0.988 168 E CA 1.006 57.218 56.400 -0.313 0.000 0.828 168 E CB -0.203 28.968 29.700 -0.882 0.000 0.763 168 E HN 0.495 nan 8.360 nan 0.000 0.478 169 L N 0.019 121.186 121.223 -0.093 0.000 2.027 169 L HA -0.111 4.229 4.340 -0.000 0.000 0.206 169 L C 2.434 179.392 176.870 0.147 0.000 1.074 169 L CA 1.104 55.995 54.840 0.084 0.000 0.745 169 L CB -0.386 41.845 42.059 0.287 0.000 0.898 169 L HN 0.226 nan 8.230 nan 0.000 0.433 170 I N 0.210 120.876 120.570 0.159 0.000 2.194 170 I HA -0.389 3.781 4.170 -0.000 0.000 0.246 170 I C 2.275 178.439 176.117 0.078 0.000 1.093 170 I CA 1.972 63.363 61.300 0.152 0.000 1.355 170 I CB -0.423 37.612 38.000 0.058 0.000 1.046 170 I HN 0.399 nan 8.210 nan 0.000 0.413 171 N N 0.784 119.498 118.700 0.022 0.000 2.106 171 N HA -0.180 4.560 4.740 -0.000 0.000 0.188 171 N C 1.625 177.134 175.510 -0.001 0.000 1.029 171 N CA 1.655 54.708 53.050 0.005 0.000 0.848 171 N CB 0.039 38.514 38.487 -0.021 0.000 1.007 171 N HN 0.218 nan 8.380 nan 0.000 0.423 172 N N -0.162 118.531 118.700 -0.012 0.000 2.173 172 N HA -0.055 4.685 4.740 -0.000 0.000 0.184 172 N C 1.704 177.201 175.510 -0.022 0.000 1.025 172 N CA 0.710 53.742 53.050 -0.030 0.000 0.852 172 N CB -0.689 37.776 38.487 -0.038 0.000 0.998 172 N HN 0.051 nan 8.380 nan 0.000 0.427 173 V N 1.769 121.720 119.914 0.062 0.000 2.469 173 V HA -0.234 3.886 4.120 -0.000 0.000 0.251 173 V C 2.271 178.411 176.094 0.076 0.000 1.064 173 V CA 1.808 64.202 62.300 0.158 0.000 1.066 173 V CB -0.914 31.007 31.823 0.162 0.000 0.667 173 V HN 0.309 nan 8.190 nan 0.000 0.461 174 A N -0.080 122.754 122.820 0.024 0.000 1.825 174 A HA -0.245 4.075 4.320 -0.000 0.000 0.214 174 A C 2.285 179.838 177.584 -0.052 0.000 1.206 174 A CA 2.122 54.145 52.037 -0.024 0.000 0.609 174 A CB -0.641 18.367 19.000 0.013 0.000 0.851 174 A HN 0.495 nan 8.150 nan 0.000 0.445 175 K N -0.295 120.076 120.400 -0.047 0.000 2.001 175 K HA -0.199 4.121 4.320 -0.000 0.000 0.223 175 K C 1.663 178.190 176.600 -0.122 0.000 1.055 175 K CA 1.959 58.207 56.287 -0.065 0.000 0.965 175 K CB -0.419 32.048 32.500 -0.054 0.000 0.730 175 K HN 0.373 nan 8.250 nan 0.000 0.449 176 A N -0.098 122.585 122.820 -0.229 0.000 2.302 176 A HA 0.031 4.351 4.320 -0.000 0.000 0.219 176 A C 0.511 177.702 177.584 -0.656 0.000 1.243 176 A CA 0.202 51.994 52.037 -0.408 0.000 0.856 176 A CB -0.171 18.543 19.000 -0.476 0.000 0.893 176 A HN 0.533 nan 8.150 nan 0.000 0.491 177 H N -2.112 116.937 119.070 -0.035 0.000 3.710 177 H HA 0.192 4.747 4.556 -0.000 0.000 0.245 177 H C 1.111 176.391 175.328 -0.079 0.000 1.011 177 H CA 0.308 56.329 56.048 -0.046 0.000 1.098 177 H CB 0.100 29.838 29.762 -0.039 0.000 1.406 177 H HN 0.705 nan 8.280 nan 0.000 0.657 178 G N 1.300 110.089 108.800 -0.017 0.000 2.470 178 G HA2 -0.055 3.905 3.960 -0.000 0.000 0.286 178 G HA3 -0.055 3.905 3.960 -0.000 0.000 0.286 178 G C 0.283 175.051 174.900 -0.221 0.000 1.115 178 G CA 0.227 45.241 45.100 -0.143 0.000 1.122 178 G HN 0.690 nan 8.290 nan 0.000 0.522 179 G N -0.207 108.473 108.800 -0.199 0.000 2.675 179 G HA2 0.633 4.593 3.960 -0.000 0.000 0.297 179 G HA3 0.633 4.593 3.960 -0.000 0.000 0.297 179 G C -0.039 174.735 174.900 -0.209 0.000 1.399 179 G CA -0.812 44.173 45.100 -0.193 0.000 0.981 179 G HN 0.386 nan 8.290 nan 0.000 0.519 180 Y N 1.144 121.349 120.300 -0.159 0.000 2.279 180 Y HA 0.440 4.990 4.550 -0.000 0.000 0.350 180 Y C 1.176 176.960 175.900 -0.193 0.000 1.288 180 Y CA 0.110 58.050 58.100 -0.266 0.000 1.547 180 Y CB 1.077 39.147 38.460 -0.650 0.000 1.381 180 Y HN 0.406 nan 8.280 nan 0.000 0.630 181 S N 0.023 115.757 115.700 0.057 0.000 2.546 181 S HA 0.557 5.027 4.470 -0.000 0.000 0.274 181 S C -1.357 173.319 174.600 0.127 0.000 1.121 181 S CA -0.868 57.407 58.200 0.125 0.000 0.887 181 S CB 1.913 65.287 63.200 0.290 0.000 1.094 181 S HN 0.297 nan 8.310 nan 0.000 0.474 182 V N 2.731 122.751 119.914 0.176 0.000 2.513 182 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 182 V C -1.023 175.269 176.094 0.330 0.000 1.035 182 V CA -0.680 61.740 62.300 0.199 0.000 0.889 182 V CB 1.402 33.309 31.823 0.141 0.000 0.988 182 V HN 0.849 nan 8.190 nan 0.000 0.440 183 F N 4.018 124.065 119.950 0.161 0.000 2.426 183 F HA 0.757 5.284 4.527 -0.000 0.000 0.348 183 F C 0.256 176.135 175.800 0.133 0.000 1.124 183 F CA -0.532 57.571 58.000 0.172 0.000 1.008 183 F CB 1.083 40.128 39.000 0.075 0.000 1.139 183 F HN 0.537 nan 8.300 nan 0.000 0.452 184 A N 4.652 127.278 122.820 -0.324 0.000 2.256 184 A HA 0.597 4.916 4.320 -0.000 0.000 0.317 184 A C 0.085 177.451 177.584 -0.364 0.000 1.318 184 A CA -0.359 51.568 52.037 -0.185 0.000 0.894 184 A CB 0.194 19.092 19.000 -0.171 0.000 1.165 184 A HN 1.036 nan 8.150 nan 0.000 0.525 185 G N 1.920 110.708 108.800 -0.021 0.000 2.663 185 G HA2 0.457 4.417 3.960 -0.000 0.000 0.320 185 G HA3 0.457 4.417 3.960 -0.000 0.000 0.320 185 G C -0.293 174.575 174.900 -0.052 0.000 0.937 185 G CA -0.151 44.927 45.100 -0.036 0.000 1.332 185 G HN 0.626 nan 8.290 nan 0.000 0.461 186 V N 2.739 122.604 119.914 -0.082 0.000 2.370 186 V HA 0.473 4.593 4.120 -0.000 0.000 0.257 186 V C 1.333 177.415 176.094 -0.021 0.000 1.064 186 V CA 0.886 63.168 62.300 -0.030 0.000 0.975 186 V CB 0.299 32.116 31.823 -0.010 0.000 1.067 186 V HN 1.239 nan 8.190 nan 0.000 0.485 187 G N 3.888 112.676 108.800 -0.020 0.000 2.212 187 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.255 187 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.255 187 G C -0.034 174.837 174.900 -0.048 0.000 1.062 187 G CA 0.162 45.245 45.100 -0.027 0.000 0.815 187 G HN 0.785 nan 8.290 nan 0.000 0.497 188 E N 0.092 120.239 120.200 -0.088 0.000 2.442 188 E HA 0.380 4.729 4.350 -0.000 0.000 0.262 188 E C 1.115 177.651 176.600 -0.106 0.000 1.004 188 E CA 0.072 56.377 56.400 -0.159 0.000 0.928 188 E CB 0.318 29.773 29.700 -0.409 0.000 0.937 188 E HN 0.529 nan 8.360 nan 0.000 0.446 189 R N 2.774 123.220 120.500 -0.090 0.000 2.357 189 R HA 0.168 4.508 4.340 -0.000 0.000 0.296 189 R C 1.087 177.356 176.300 -0.050 0.000 1.052 189 R CA -0.096 55.973 56.100 -0.051 0.000 0.988 189 R CB 0.782 31.062 30.300 -0.033 0.000 1.025 189 R HN 0.606 nan 8.270 nan 0.000 0.469 190 T N 1.907 116.451 114.554 -0.017 0.000 2.720 190 T HA -0.201 4.149 4.350 -0.000 0.000 0.268 190 T C 1.765 176.475 174.700 0.016 0.000 1.037 190 T CA 1.402 63.508 62.100 0.010 0.000 1.144 190 T CB -0.137 68.745 68.868 0.023 0.000 0.864 190 T HN 0.540 nan 8.240 nan 0.000 0.444 191 R N 1.166 121.671 120.500 0.009 0.000 2.088 191 R HA -0.154 4.186 4.340 -0.000 0.000 0.232 191 R C 2.295 178.601 176.300 0.010 0.000 1.136 191 R CA 2.019 58.129 56.100 0.017 0.000 0.926 191 R CB -0.211 30.097 30.300 0.013 0.000 0.837 191 R HN 0.465 nan 8.270 nan 0.000 0.429 192 E N -0.954 119.237 120.200 -0.015 0.000 2.204 192 E HA -0.130 4.220 4.350 -0.000 0.000 0.195 192 E C 1.851 178.420 176.600 -0.053 0.000 0.990 192 E CA 0.981 57.363 56.400 -0.030 0.000 0.821 192 E CB -0.165 29.511 29.700 -0.040 0.000 0.750 192 E HN 0.643 nan 8.360 nan 0.000 0.477 193 G N 1.370 110.125 108.800 -0.074 0.000 2.402 193 G HA2 -0.344 3.616 3.960 -0.000 0.000 0.216 193 G HA3 -0.344 3.616 3.960 -0.000 0.000 0.216 193 G C 1.455 176.451 174.900 0.160 0.000 1.162 193 G CA 0.995 46.061 45.100 -0.057 0.000 0.777 193 G HN 0.189 nan 8.290 nan 0.000 0.539 194 N N 1.244 120.000 118.700 0.094 0.000 2.043 194 N HA -0.118 4.622 4.740 -0.000 0.000 0.193 194 N C 1.703 177.194 175.510 -0.032 0.000 1.037 194 N CA 1.992 55.062 53.050 0.034 0.000 0.851 194 N CB -0.318 38.204 38.487 0.059 0.000 1.027 194 N HN 0.213 nan 8.380 nan 0.000 0.422 195 D N -0.223 120.197 120.400 0.033 0.000 2.117 195 D HA -0.130 4.510 4.640 -0.000 0.000 0.197 195 D C 1.881 178.189 176.300 0.013 0.000 0.987 195 D CA 0.611 54.643 54.000 0.054 0.000 0.829 195 D CB -0.509 40.315 40.800 0.039 0.000 0.961 195 D HN 0.293 nan 8.370 nan 0.000 0.460 196 L N -0.111 121.103 121.223 -0.015 0.000 2.083 196 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 196 L C 2.068 178.932 176.870 -0.010 0.000 1.083 196 L CA 1.421 56.221 54.840 -0.067 0.000 0.752 196 L CB -0.688 41.265 42.059 -0.176 0.000 0.899 196 L HN -0.000 nan 8.230 nan 0.000 0.433 197 Y N 0.634 120.846 120.300 -0.147 0.000 2.030 197 Y HA -0.331 4.219 4.550 -0.000 0.000 0.274 197 Y C 2.684 178.486 175.900 -0.162 0.000 1.153 197 Y CA 2.321 60.298 58.100 -0.206 0.000 1.115 197 Y CB -1.137 37.124 38.460 -0.331 0.000 0.969 197 Y HN 0.471 nan 8.280 nan 0.000 0.488 198 H N -0.398 118.616 119.070 -0.093 0.000 2.352 198 H HA -0.148 4.408 4.556 -0.000 0.000 0.299 198 H C 2.162 177.404 175.328 -0.143 0.000 1.097 198 H CA 1.450 57.370 56.048 -0.213 0.000 1.311 198 H CB -0.040 29.636 29.762 -0.143 0.000 1.377 198 H HN 0.476 nan 8.280 nan 0.000 0.504 199 E N 0.456 120.669 120.200 0.022 0.000 2.085 199 E HA -0.209 4.141 4.350 -0.000 0.000 0.194 199 E C 2.096 178.674 176.600 -0.038 0.000 0.994 199 E CA 1.222 57.611 56.400 -0.018 0.000 0.801 199 E CB -0.081 29.602 29.700 -0.030 0.000 0.743 199 E HN 0.553 nan 8.360 nan 0.000 0.453 200 M N 0.301 119.871 119.600 -0.050 0.000 2.175 200 M HA -0.102 4.378 4.480 -0.000 0.000 0.264 200 M C 2.349 178.620 176.300 -0.048 0.000 1.063 200 M CA 1.135 56.404 55.300 -0.052 0.000 1.119 200 M CB -0.326 32.245 32.600 -0.047 0.000 1.377 200 M HN 0.138 nan 8.290 nan 0.000 0.415 201 I N -0.219 120.303 120.570 -0.080 0.000 2.133 201 I HA -0.230 3.940 4.170 -0.000 0.000 0.238 201 I C 2.274 178.355 176.117 -0.059 0.000 1.074 201 I CA 1.136 62.381 61.300 -0.093 0.000 1.342 201 I CB -0.947 36.950 38.000 -0.171 0.000 1.053 201 I HN 0.247 nan 8.210 nan 0.000 0.404 202 E N 1.100 121.266 120.200 -0.056 0.000 2.233 202 E HA -0.245 4.105 4.350 -0.000 0.000 0.199 202 E C 2.318 178.906 176.600 -0.021 0.000 1.004 202 E CA 2.001 58.375 56.400 -0.043 0.000 0.819 202 E CB -0.215 29.457 29.700 -0.048 0.000 0.738 202 E HN 0.607 nan 8.360 nan 0.000 0.478 203 S N -1.837 113.853 115.700 -0.017 0.000 2.456 203 S HA 0.156 4.626 4.470 -0.000 0.000 0.224 203 S C 1.543 176.146 174.600 0.005 0.000 1.035 203 S CA 1.272 59.474 58.200 0.002 0.000 0.940 203 S CB 0.947 64.147 63.200 0.000 0.000 0.799 203 S HN 0.294 nan 8.310 nan 0.000 0.508 204 G N 0.630 109.426 108.800 -0.006 0.000 3.876 204 G HA2 -0.205 3.755 3.960 -0.000 0.000 0.203 204 G HA3 -0.205 3.755 3.960 -0.000 0.000 0.203 204 G C 1.053 175.953 174.900 -0.000 0.000 1.162 204 G CA 0.379 45.480 45.100 0.001 0.000 0.903 204 G HN 1.184 nan 8.290 nan 0.000 0.390 205 V N 0.067 119.978 119.914 -0.004 0.000 2.867 205 V HA 0.345 4.465 4.120 -0.000 0.000 0.260 205 V C 1.283 177.380 176.094 0.005 0.000 1.099 205 V CA 1.143 63.445 62.300 0.002 0.000 1.122 205 V CB -0.415 31.402 31.823 -0.010 0.000 0.708 205 V HN 0.422 nan 8.190 nan 0.000 0.490 206 I N 1.291 121.860 120.570 -0.002 0.000 2.493 206 I HA 0.504 4.674 4.170 -0.000 0.000 0.298 206 I C -0.494 175.620 176.117 -0.006 0.000 0.998 206 I CA -0.380 60.925 61.300 0.008 0.000 1.137 206 I CB 1.743 39.764 38.000 0.035 0.000 1.310 206 I HN 0.143 nan 8.210 nan 0.000 0.445 207 N N 6.092 124.792 118.700 0.001 0.000 2.519 207 N HA 0.324 5.064 4.740 -0.000 0.000 0.286 207 N C -0.098 175.410 175.510 -0.003 0.000 1.079 207 N CA -0.378 52.669 53.050 -0.006 0.000 0.878 207 N CB 1.755 40.243 38.487 0.001 0.000 1.375 207 N HN 0.529 nan 8.380 nan 0.000 0.514 208 L N 1.721 122.937 121.223 -0.012 0.000 2.599 208 L HA 0.088 4.428 4.340 -0.000 0.000 0.230 208 L C 1.506 178.374 176.870 -0.003 0.000 1.141 208 L CA 0.444 55.282 54.840 -0.003 0.000 0.877 208 L CB -0.017 42.033 42.059 -0.015 0.000 1.009 208 L HN 0.282 nan 8.230 nan 0.000 0.447 209 K N 0.514 120.911 120.400 -0.005 0.000 2.530 209 K HA 0.113 4.433 4.320 -0.000 0.000 0.218 209 K C 0.513 177.114 176.600 0.001 0.000 1.064 209 K CA 0.204 56.489 56.287 -0.002 0.000 1.084 209 K CB -0.633 31.864 32.500 -0.004 0.000 1.392 209 K HN 0.132 nan 8.250 nan 0.000 0.465 210 D N 0.050 120.452 120.400 0.004 0.000 2.223 210 D HA 0.127 4.767 4.640 -0.000 0.000 0.250 210 D C 0.392 176.696 176.300 0.007 0.000 1.287 210 D CA 0.071 54.076 54.000 0.008 0.000 0.977 210 D CB 0.123 40.931 40.800 0.013 0.000 1.177 210 D HN 0.240 nan 8.370 nan 0.000 0.536 211 A N -1.323 121.504 122.820 0.011 0.000 2.465 211 A HA 0.176 4.496 4.320 -0.000 0.000 0.255 211 A C 1.461 179.053 177.584 0.012 0.000 1.274 211 A CA 0.306 52.346 52.037 0.005 0.000 0.920 211 A CB -0.891 18.113 19.000 0.006 0.000 1.033 211 A HN 0.619 nan 8.150 nan 0.000 0.516 212 T N -1.588 112.981 114.554 0.026 0.000 3.320 212 T HA 0.060 4.410 4.350 -0.000 0.000 0.258 212 T C 0.714 175.440 174.700 0.044 0.000 1.176 212 T CA 0.680 62.808 62.100 0.047 0.000 1.037 212 T CB -0.826 68.068 68.868 0.044 0.000 0.958 212 T HN 0.153 nan 8.240 nan 0.000 0.545 213 S N 1.244 116.951 115.700 0.011 0.000 2.558 213 S HA 0.193 4.663 4.470 -0.000 0.000 0.288 213 S C 0.956 175.549 174.600 -0.012 0.000 1.318 213 S CA -0.253 57.945 58.200 -0.004 0.000 1.056 213 S CB 0.592 63.776 63.200 -0.027 0.000 0.853 213 S HN 0.567 nan 8.310 nan 0.000 0.505 214 K N 1.193 121.607 120.400 0.022 0.000 2.447 214 K HA 0.270 4.590 4.320 -0.000 0.000 0.205 214 K C -1.194 175.441 176.600 0.059 0.000 1.059 214 K CA 0.068 56.415 56.287 0.100 0.000 1.065 214 K CB 0.963 33.547 32.500 0.140 0.000 0.885 214 K HN 0.355 nan 8.250 nan 0.000 0.545 215 V N 1.037 120.947 119.914 -0.007 0.000 2.610 215 V HA 0.353 4.473 4.120 -0.000 0.000 0.288 215 V C -0.633 175.462 176.094 0.002 0.000 1.055 215 V CA -1.336 60.975 62.300 0.018 0.000 0.902 215 V CB 1.336 33.182 31.823 0.038 0.000 1.030 215 V HN 0.153 nan 8.190 nan 0.000 0.448 216 A N 6.018 128.842 122.820 0.006 0.000 2.388 216 A HA 0.797 5.117 4.320 -0.000 0.000 0.257 216 A C -0.322 177.293 177.584 0.053 0.000 1.095 216 A CA -0.179 51.866 52.037 0.014 0.000 0.791 216 A CB 0.373 19.403 19.000 0.051 0.000 1.029 216 A HN 0.821 nan 8.150 nan 0.000 0.489 217 L N 3.028 124.243 121.223 -0.015 0.000 2.307 217 L HA 0.509 4.849 4.340 -0.000 0.000 0.284 217 L C -0.816 176.035 176.870 -0.032 0.000 1.023 217 L CA -0.783 54.065 54.840 0.013 0.000 0.810 217 L CB 1.513 43.469 42.059 -0.171 0.000 1.231 217 L HN 0.389 nan 8.230 nan 0.000 0.423 218 V N 3.772 123.766 119.914 0.133 0.000 2.448 218 V HA 0.435 4.555 4.120 -0.000 0.000 0.295 218 V C -0.727 175.564 176.094 0.330 0.000 1.025 218 V CA -0.427 61.936 62.300 0.106 0.000 0.859 218 V CB 1.699 33.562 31.823 0.067 0.000 0.988 218 V HN 0.500 nan 8.190 nan 0.000 0.431 219 Y N 2.012 122.317 120.300 0.007 0.000 2.376 219 Y HA 0.660 5.210 4.550 -0.000 0.000 0.340 219 Y C 0.695 176.595 175.900 0.000 0.000 0.965 219 Y CA -1.114 56.998 58.100 0.019 0.000 1.078 219 Y CB 2.650 41.109 38.460 -0.002 0.000 1.193 219 Y HN 0.679 nan 8.280 nan 0.000 0.452 220 G N 4.079 112.963 108.800 0.140 0.000 3.114 220 G HA2 0.313 4.273 3.960 -0.000 0.000 0.320 220 G HA3 0.313 4.273 3.960 -0.000 0.000 0.320 220 G C -0.945 173.978 174.900 0.038 0.000 1.453 220 G CA -0.519 44.624 45.100 0.072 0.000 1.084 220 G HN 0.578 nan 8.290 nan 0.000 0.516 221 Q N 1.598 121.425 119.800 0.044 0.000 2.471 221 Q HA 0.242 4.582 4.340 -0.000 0.000 0.223 221 Q C 1.287 177.287 176.000 -0.000 0.000 1.045 221 Q CA -0.584 55.226 55.803 0.012 0.000 0.956 221 Q CB 1.250 30.006 28.738 0.030 0.000 1.249 221 Q HN 0.407 nan 8.270 nan 0.000 0.549 222 M N 1.061 120.654 119.600 -0.012 0.000 2.460 222 M HA -0.136 4.344 4.480 -0.000 0.000 0.263 222 M C 1.236 177.530 176.300 -0.010 0.000 1.071 222 M CA 1.494 56.785 55.300 -0.015 0.000 1.096 222 M CB -0.619 31.970 32.600 -0.019 0.000 1.408 222 M HN 0.710 nan 8.290 nan 0.000 0.463 223 N N -0.433 118.266 118.700 -0.002 0.000 2.299 223 N HA 0.055 4.794 4.740 -0.000 0.000 0.187 223 N C -0.053 175.458 175.510 0.002 0.000 1.099 223 N CA -0.269 52.781 53.050 -0.000 0.000 0.867 223 N CB 0.232 38.720 38.487 0.002 0.000 0.974 223 N HN 0.276 nan 8.380 nan 0.000 0.477 224 E N 1.447 121.651 120.200 0.006 0.000 2.425 224 E HA 0.122 4.472 4.350 -0.000 0.000 0.258 224 E C -2.209 174.392 176.600 0.001 0.000 1.151 224 E CA -1.490 54.914 56.400 0.008 0.000 0.958 224 E CB 0.171 29.880 29.700 0.014 0.000 0.968 224 E HN 0.224 nan 8.360 nan 0.000 0.451 225 P HA 0.122 nan 4.420 nan 0.000 0.278 225 P C -2.229 175.067 177.300 -0.007 0.000 1.266 225 P CA -1.453 61.645 63.100 -0.003 0.000 0.807 225 P CB -0.010 31.691 31.700 0.001 0.000 1.094 226 P HA -0.237 nan 4.420 nan 0.000 0.215 226 P C 1.634 178.926 177.300 -0.013 0.000 1.163 226 P CA 2.431 65.516 63.100 -0.025 0.000 0.894 226 P CB -0.648 31.033 31.700 -0.032 0.000 0.791 227 G N -0.245 108.554 108.800 -0.002 0.000 2.513 227 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.219 227 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.219 227 G C 1.641 176.553 174.900 0.021 0.000 1.160 227 G CA 1.333 46.441 45.100 0.013 0.000 0.767 227 G HN 0.398 nan 8.290 nan 0.000 0.571 228 A N 0.329 123.159 122.820 0.017 0.000 1.898 228 A HA 0.148 4.468 4.320 -0.000 0.000 0.214 228 A C 2.440 180.038 177.584 0.024 0.000 1.183 228 A CA 1.534 53.584 52.037 0.022 0.000 0.622 228 A CB -0.325 18.686 19.000 0.019 0.000 0.824 228 A HN 0.321 nan 8.150 nan 0.000 0.444 229 R N -0.257 120.253 120.500 0.017 0.000 2.091 229 R HA -0.084 4.256 4.340 -0.000 0.000 0.238 229 R C 2.299 178.629 176.300 0.050 0.000 1.136 229 R CA 1.354 57.467 56.100 0.021 0.000 0.959 229 R CB -0.437 29.861 30.300 -0.004 0.000 0.856 229 R HN 0.495 nan 8.270 nan 0.000 0.437 230 A N 0.409 123.249 122.820 0.033 0.000 2.067 230 A HA -0.079 4.241 4.320 -0.000 0.000 0.219 230 A C 1.636 179.300 177.584 0.134 0.000 1.158 230 A CA 1.076 53.145 52.037 0.053 0.000 0.661 230 A CB -0.027 18.963 19.000 -0.016 0.000 0.801 230 A HN 0.109 nan 8.150 nan 0.000 0.452 231 R N -1.348 119.200 120.500 0.079 0.000 2.404 231 R HA 0.138 4.478 4.340 -0.000 0.000 0.237 231 R C 1.625 177.925 176.300 0.001 0.000 0.907 231 R CA 0.727 56.851 56.100 0.040 0.000 1.063 231 R CB -0.429 29.874 30.300 0.005 0.000 1.134 231 R HN 0.383 nan 8.270 nan 0.000 0.529 232 V N 1.271 121.199 119.914 0.024 0.000 2.515 232 V HA -0.137 3.983 4.120 -0.000 0.000 0.250 232 V C 2.150 178.218 176.094 -0.043 0.000 1.058 232 V CA 2.025 64.324 62.300 -0.001 0.000 1.064 232 V CB -0.230 31.606 31.823 0.022 0.000 0.675 232 V HN 0.284 nan 8.190 nan 0.000 0.461 233 A N -0.049 122.728 122.820 -0.073 0.000 1.908 233 A HA -0.174 4.145 4.320 -0.000 0.000 0.218 233 A C 2.105 179.582 177.584 -0.178 0.000 1.181 233 A CA 2.238 54.157 52.037 -0.197 0.000 0.627 233 A CB -0.637 18.093 19.000 -0.450 0.000 0.818 233 A HN 0.580 nan 8.150 nan 0.000 0.445 234 L N -0.626 120.509 121.223 -0.146 0.000 2.046 234 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 234 L C 2.795 179.596 176.870 -0.114 0.000 1.077 234 L CA 1.833 56.586 54.840 -0.145 0.000 0.747 234 L CB -0.928 41.021 42.059 -0.184 0.000 0.896 234 L HN 0.345 nan 8.230 nan 0.000 0.432 235 T N -0.360 114.137 114.554 -0.094 0.000 2.635 235 T HA -0.197 4.152 4.350 -0.000 0.000 0.267 235 T C 1.917 176.591 174.700 -0.043 0.000 1.040 235 T CA 1.549 63.611 62.100 -0.063 0.000 1.156 235 T CB -0.907 67.935 68.868 -0.044 0.000 0.863 235 T HN 0.564 nan 8.240 nan 0.000 0.430 236 G N 1.734 110.508 108.800 -0.043 0.000 2.446 236 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.217 236 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.217 236 G C 1.496 176.384 174.900 -0.019 0.000 1.168 236 G CA 0.756 45.844 45.100 -0.021 0.000 0.771 236 G HN 0.331 nan 8.290 nan 0.000 0.551 237 L N 1.252 122.437 121.223 -0.063 0.000 1.971 237 L HA -0.110 4.230 4.340 -0.000 0.000 0.215 237 L C 3.063 179.928 176.870 -0.009 0.000 1.072 237 L CA 2.648 57.454 54.840 -0.056 0.000 0.758 237 L CB -1.369 40.632 42.059 -0.097 0.000 0.889 237 L HN 0.265 nan 8.230 nan 0.000 0.433 238 T N -0.884 113.659 114.554 -0.019 0.000 2.665 238 T HA -0.210 4.140 4.350 -0.000 0.000 0.268 238 T C 2.018 176.739 174.700 0.035 0.000 1.035 238 T CA 1.831 63.931 62.100 0.000 0.000 1.151 238 T CB -0.570 68.285 68.868 -0.021 0.000 0.862 238 T HN 0.231 nan 8.240 nan 0.000 0.438 239 V N 1.727 121.665 119.914 0.041 0.000 2.392 239 V HA -0.208 3.912 4.120 -0.000 0.000 0.249 239 V C 2.859 179.109 176.094 0.260 0.000 1.059 239 V CA 1.753 64.110 62.300 0.095 0.000 1.051 239 V CB -1.254 30.638 31.823 0.116 0.000 0.658 239 V HN 0.570 nan 8.190 nan 0.000 0.455 240 A N -0.573 122.390 122.820 0.238 0.000 1.929 240 A HA -0.182 4.138 4.320 -0.000 0.000 0.216 240 A C 2.187 179.939 177.584 0.281 0.000 1.176 240 A CA 1.535 53.766 52.037 0.323 0.000 0.628 240 A CB -0.403 18.683 19.000 0.143 0.000 0.816 240 A HN 0.592 nan 8.150 nan 0.000 0.444 241 E N -1.366 118.922 120.200 0.146 0.000 2.058 241 E HA -0.241 4.109 4.350 -0.000 0.000 0.194 241 E C 1.784 178.425 176.600 0.068 0.000 0.997 241 E CA 1.521 57.971 56.400 0.083 0.000 0.801 241 E CB -0.385 29.341 29.700 0.042 0.000 0.746 241 E HN 0.772 nan 8.360 nan 0.000 0.450 242 Y N 0.387 120.640 120.300 -0.079 0.000 2.139 242 Y HA -0.325 4.225 4.550 -0.000 0.000 0.282 242 Y C 1.730 177.510 175.900 -0.199 0.000 1.179 242 Y CA 1.851 59.827 58.100 -0.207 0.000 1.161 242 Y CB -0.351 37.869 38.460 -0.400 0.000 0.970 242 Y HN 0.002 nan 8.280 nan 0.000 0.511 243 F N -0.328 119.691 119.950 0.116 0.000 2.259 243 F HA -0.048 4.479 4.527 -0.000 0.000 0.298 243 F C 2.730 178.503 175.800 -0.047 0.000 1.088 243 F CA 1.462 59.498 58.000 0.059 0.000 1.358 243 F CB -0.451 38.679 39.000 0.217 0.000 1.040 243 F HN -0.075 nan 8.300 nan 0.000 0.505 244 R N 0.737 121.314 120.500 0.129 0.000 2.056 244 R HA -0.134 4.206 4.340 -0.000 0.000 0.227 244 R C 1.740 178.014 176.300 -0.043 0.000 1.149 244 R CA 2.098 58.221 56.100 0.037 0.000 0.937 244 R CB -0.394 29.923 30.300 0.028 0.000 0.835 244 R HN 0.096 nan 8.270 nan 0.000 0.430 245 D N 0.088 120.440 120.400 -0.080 0.000 2.117 245 D HA -0.124 4.516 4.640 -0.000 0.000 0.198 245 D C 2.013 178.216 176.300 -0.162 0.000 0.982 245 D CA 1.070 55.010 54.000 -0.100 0.000 0.828 245 D CB -0.004 40.752 40.800 -0.074 0.000 0.967 245 D HN 0.301 nan 8.370 nan 0.000 0.464 246 Q N 0.044 119.654 119.800 -0.316 0.000 2.373 246 Q HA 0.097 4.437 4.340 -0.000 0.000 0.210 246 Q C 1.127 176.941 176.000 -0.309 0.000 0.913 246 Q CA 0.530 56.109 55.803 -0.373 0.000 0.911 246 Q CB 0.460 28.804 28.738 -0.657 0.000 1.040 246 Q HN 0.449 nan 8.270 nan 0.000 0.521 247 E N -0.193 119.829 120.200 -0.298 0.000 2.538 247 E HA 0.204 4.554 4.350 -0.000 0.000 0.207 247 E C 0.130 176.712 176.600 -0.030 0.000 1.002 247 E CA 0.079 56.410 56.400 -0.115 0.000 0.952 247 E CB 0.841 30.531 29.700 -0.016 0.000 1.031 247 E HN 0.362 nan 8.360 nan 0.000 0.476 248 G N 2.703 111.474 108.800 -0.047 0.000 2.305 248 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.287 248 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.287 248 G C 0.047 174.942 174.900 -0.007 0.000 1.036 248 G CA 0.701 45.785 45.100 -0.026 0.000 0.887 248 G HN 0.266 nan 8.290 nan 0.000 0.505 249 Q N -0.799 119.013 119.800 0.019 0.000 2.193 249 Q HA 0.436 4.775 4.340 -0.000 0.000 0.246 249 Q C -0.783 175.214 176.000 -0.005 0.000 0.959 249 Q CA -0.796 55.016 55.803 0.014 0.000 0.904 249 Q CB 0.732 29.509 28.738 0.064 0.000 1.238 249 Q HN 0.218 nan 8.270 nan 0.000 0.469 250 D N 1.474 121.854 120.400 -0.034 0.000 2.467 250 D HA 0.247 4.887 4.640 -0.000 0.000 0.220 250 D C -0.898 175.378 176.300 -0.041 0.000 1.103 250 D CA -0.058 53.912 54.000 -0.051 0.000 0.886 250 D CB 0.986 41.726 40.800 -0.100 0.000 1.025 250 D HN 0.113 nan 8.370 nan 0.000 0.514 251 V N 2.257 122.158 119.914 -0.021 0.000 2.997 251 V HA 0.428 4.547 4.120 -0.000 0.000 0.311 251 V C 0.457 176.525 176.094 -0.043 0.000 1.066 251 V CA -0.840 61.454 62.300 -0.010 0.000 1.039 251 V CB 1.714 33.566 31.823 0.048 0.000 1.081 251 V HN 0.341 nan 8.190 nan 0.000 0.467 252 L N 3.236 124.436 121.223 -0.038 0.000 2.333 252 L HA 0.513 4.853 4.340 -0.000 0.000 0.280 252 L C -1.090 175.696 176.870 -0.140 0.000 1.004 252 L CA -0.609 54.149 54.840 -0.137 0.000 0.820 252 L CB 1.714 43.710 42.059 -0.105 0.000 1.247 252 L HN 0.432 nan 8.230 nan 0.000 0.416 253 L N 4.282 125.342 121.223 -0.271 0.000 2.295 253 L HA 0.513 4.853 4.340 -0.000 0.000 0.281 253 L C -1.031 175.626 176.870 -0.355 0.000 1.018 253 L CA 0.078 54.799 54.840 -0.199 0.000 0.841 253 L CB 0.738 42.703 42.059 -0.157 0.000 1.218 253 L HN 0.178 nan 8.230 nan 0.000 0.424 254 F N 5.881 125.754 119.950 -0.129 0.000 2.411 254 F HA 0.509 5.036 4.527 -0.000 0.000 0.350 254 F C 0.344 175.876 175.800 -0.446 0.000 1.114 254 F CA -0.319 57.540 58.000 -0.234 0.000 1.135 254 F CB 0.932 39.851 39.000 -0.136 0.000 1.120 254 F HN 0.240 nan 8.300 nan 0.000 0.495 255 I N 3.345 123.769 120.570 -0.243 0.000 2.410 255 I HA 0.266 4.436 4.170 -0.000 0.000 0.286 255 I C -1.113 174.841 176.117 -0.273 0.000 1.009 255 I CA -0.497 60.613 61.300 -0.317 0.000 1.111 255 I CB 1.680 39.516 38.000 -0.273 0.000 1.262 255 I HN 0.447 nan 8.210 nan 0.000 0.443 256 D N 6.314 126.505 120.400 -0.349 0.000 2.476 256 D HA 0.278 4.918 4.640 -0.000 0.000 0.251 256 D C -1.322 174.912 176.300 -0.109 0.000 1.291 256 D CA -0.320 53.579 54.000 -0.168 0.000 0.939 256 D CB 1.401 42.150 40.800 -0.084 0.000 1.221 256 D HN 0.620 nan 8.370 nan 0.000 0.567 257 N N 3.304 121.979 118.700 -0.041 0.000 2.336 257 N HA 0.182 4.922 4.740 -0.000 0.000 0.290 257 N C 0.435 175.971 175.510 0.043 0.000 1.058 257 N CA -0.674 52.370 53.050 -0.011 0.000 0.865 257 N CB 1.306 39.814 38.487 0.036 0.000 1.581 257 N HN 0.222 nan 8.380 nan 0.000 0.480 258 I N 2.186 122.769 120.570 0.021 0.000 2.300 258 I HA -0.180 3.990 4.170 -0.000 0.000 0.252 258 I C 1.413 177.651 176.117 0.202 0.000 1.119 258 I CA 1.314 62.667 61.300 0.088 0.000 1.384 258 I CB -0.316 37.691 38.000 0.011 0.000 1.062 258 I HN 0.727 nan 8.210 nan 0.000 0.426 259 F N 1.152 121.143 119.950 0.068 0.000 2.216 259 F HA -0.164 4.363 4.527 -0.000 0.000 0.300 259 F C 2.430 178.282 175.800 0.086 0.000 1.085 259 F CA 1.535 59.597 58.000 0.104 0.000 1.326 259 F CB -0.331 38.765 39.000 0.161 0.000 1.027 259 F HN -0.046 nan 8.300 nan 0.000 0.497 260 R N -1.133 119.354 120.500 -0.021 0.000 2.153 260 R HA -0.113 4.227 4.340 -0.000 0.000 0.218 260 R C 2.198 178.433 176.300 -0.108 0.000 1.072 260 R CA 1.163 57.178 56.100 -0.142 0.000 0.990 260 R CB -0.794 29.493 30.300 -0.021 0.000 0.889 260 R HN 0.388 nan 8.270 nan 0.000 0.452 261 F N 1.704 121.568 119.950 -0.143 0.000 2.126 261 F HA -0.211 4.316 4.527 -0.000 0.000 0.299 261 F C 2.009 177.731 175.800 -0.130 0.000 1.096 261 F CA 1.656 59.584 58.000 -0.120 0.000 1.255 261 F CB -0.481 38.458 39.000 -0.101 0.000 0.997 261 F HN -0.181 nan 8.300 nan 0.000 0.479 262 T N 0.281 114.603 114.554 -0.386 0.000 2.812 262 T HA -0.144 4.206 4.350 -0.000 0.000 0.264 262 T C 1.883 176.367 174.700 -0.359 0.000 1.042 262 T CA 1.318 63.156 62.100 -0.438 0.000 1.140 262 T CB -0.145 68.613 68.868 -0.184 0.000 0.870 262 T HN 0.254 nan 8.240 nan 0.000 0.445 263 Q N 0.668 120.203 119.800 -0.442 0.000 2.119 263 Q HA 0.059 4.399 4.340 -0.000 0.000 0.201 263 Q C 2.618 178.467 176.000 -0.253 0.000 0.972 263 Q CA 1.351 56.927 55.803 -0.377 0.000 0.847 263 Q CB -0.620 27.816 28.738 -0.504 0.000 0.903 263 Q HN 0.557 nan 8.270 nan 0.000 0.433 264 A N 0.779 123.454 122.820 -0.241 0.000 1.877 264 A HA -0.085 4.235 4.320 -0.000 0.000 0.216 264 A C 2.323 179.806 177.584 -0.168 0.000 1.186 264 A CA 1.806 53.745 52.037 -0.163 0.000 0.620 264 A CB -1.227 17.706 19.000 -0.112 0.000 0.822 264 A HN 0.431 nan 8.150 nan 0.000 0.443 265 G N -0.521 108.126 108.800 -0.255 0.000 2.631 265 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.219 265 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.219 265 G C 1.953 176.767 174.900 -0.143 0.000 1.214 265 G CA 1.849 46.816 45.100 -0.221 0.000 0.785 265 G HN 0.639 nan 8.290 nan 0.000 0.596 266 S N 0.103 115.720 115.700 -0.138 0.000 2.440 266 S HA -0.107 4.362 4.470 -0.000 0.000 0.240 266 S C 2.155 176.694 174.600 -0.101 0.000 1.014 266 S CA 2.012 60.154 58.200 -0.096 0.000 0.980 266 S CB -0.244 62.886 63.200 -0.117 0.000 0.775 266 S HN 0.616 nan 8.310 nan 0.000 0.499 267 E N -0.038 120.096 120.200 -0.109 0.000 2.011 267 E HA -0.034 4.316 4.350 -0.000 0.000 0.191 267 E C 2.141 178.703 176.600 -0.063 0.000 0.980 267 E CA 1.128 57.477 56.400 -0.085 0.000 0.814 267 E CB -0.370 29.279 29.700 -0.085 0.000 0.775 267 E HN 0.270 nan 8.360 nan 0.000 0.454 268 V N 1.296 121.174 119.914 -0.061 0.000 2.311 268 V HA -0.356 3.764 4.120 -0.000 0.000 0.259 268 V C 2.404 178.476 176.094 -0.038 0.000 1.086 268 V CA 2.247 64.521 62.300 -0.043 0.000 1.078 268 V CB -0.655 31.143 31.823 -0.042 0.000 0.668 268 V HN 0.319 nan 8.190 nan 0.000 0.452 269 S N -0.873 114.800 115.700 -0.046 0.000 2.453 269 S HA -0.011 4.458 4.470 -0.000 0.000 0.231 269 S C 1.870 176.452 174.600 -0.030 0.000 1.005 269 S CA 1.197 59.376 58.200 -0.035 0.000 0.949 269 S CB -0.136 63.043 63.200 -0.035 0.000 0.774 269 S HN 0.654 nan 8.310 nan 0.000 0.510 270 A N 0.737 123.535 122.820 -0.036 0.000 2.132 270 A HA 0.373 4.693 4.320 -0.000 0.000 0.213 270 A C 2.007 179.576 177.584 -0.025 0.000 1.154 270 A CA 0.239 52.257 52.037 -0.031 0.000 0.753 270 A CB -0.359 18.617 19.000 -0.040 0.000 0.826 270 A HN 0.550 nan 8.150 nan 0.000 0.469 271 L N -0.526 120.682 121.223 -0.025 0.000 2.109 271 L HA -0.023 4.317 4.340 -0.000 0.000 0.207 271 L C 1.736 178.599 176.870 -0.012 0.000 1.086 271 L CA 0.753 55.582 54.840 -0.018 0.000 0.760 271 L CB -0.326 41.723 42.059 -0.017 0.000 0.910 271 L HN 0.346 nan 8.230 nan 0.000 0.437 272 L N 0.040 121.255 121.223 -0.013 0.000 2.627 272 L HA 0.115 4.455 4.340 -0.000 0.000 0.233 272 L C 1.333 178.198 176.870 -0.008 0.000 1.144 272 L CA 0.307 55.141 54.840 -0.009 0.000 0.892 272 L CB -0.927 41.125 42.059 -0.011 0.000 1.039 272 L HN 0.456 nan 8.230 nan 0.000 0.442 273 G N 1.445 110.239 108.800 -0.011 0.000 2.321 273 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.287 273 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.287 273 G C 0.299 175.194 174.900 -0.008 0.000 1.018 273 G CA 0.106 45.200 45.100 -0.009 0.000 0.855 273 G HN 0.470 nan 8.290 nan 0.000 0.507 274 R N -0.654 119.840 120.500 -0.010 0.000 2.401 274 R HA 0.365 4.705 4.340 -0.000 0.000 0.299 274 R C 1.221 177.517 176.300 -0.006 0.000 1.064 274 R CA -0.642 55.454 56.100 -0.007 0.000 1.000 274 R CB 0.841 31.136 30.300 -0.008 0.000 0.973 274 R HN 0.375 nan 8.270 nan 0.000 0.438 275 I N 5.313 125.881 120.570 -0.002 0.000 2.989 275 I HA -0.106 4.064 4.170 -0.000 0.000 0.311 275 I C -1.758 174.360 176.117 0.003 0.000 1.221 275 I CA -0.916 60.384 61.300 -0.000 0.000 1.449 275 I CB 0.477 38.478 38.000 0.003 0.000 1.325 275 I HN 0.345 nan 8.210 nan 0.000 0.557 276 P HA 0.164 nan 4.420 nan 0.000 0.285 276 P C -0.427 176.886 177.300 0.021 0.000 1.259 276 P CA -0.361 62.743 63.100 0.006 0.000 0.794 276 P CB 1.400 33.094 31.700 -0.010 0.000 0.940 277 S N 2.092 117.817 115.700 0.041 0.000 2.602 277 S HA 0.467 4.937 4.470 -0.000 0.000 0.257 277 S C 0.254 174.899 174.600 0.075 0.000 1.250 277 S CA -0.265 57.971 58.200 0.060 0.000 0.986 277 S CB -0.228 63.020 63.200 0.080 0.000 1.040 277 S HN 0.552 nan 8.310 nan 0.000 0.562 278 A N 0.313 123.187 122.820 0.089 0.000 2.540 278 A HA 0.377 4.697 4.320 -0.000 0.000 0.239 278 A C 1.131 178.810 177.584 0.159 0.000 1.061 278 A CA 0.478 52.574 52.037 0.099 0.000 0.758 278 A CB -0.476 18.576 19.000 0.087 0.000 0.991 278 A HN 1.690 nan 8.150 nan 0.000 0.502 279 V N 1.574 121.558 119.914 0.116 0.000 2.070 279 V HA -0.334 3.786 4.120 -0.000 0.000 0.100 279 V C 1.611 177.731 176.094 0.044 0.000 0.533 279 V CA 2.687 65.062 62.300 0.125 0.000 1.406 279 V CB -1.227 30.726 31.823 0.217 0.000 1.610 279 V HN 2.885 nan 8.190 nan 0.000 0.921 280 G N -3.155 105.650 108.800 0.008 0.000 2.705 280 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.193 280 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.193 280 G C -0.082 174.716 174.900 -0.170 0.000 1.015 280 G CA 0.014 45.029 45.100 -0.141 0.000 0.743 280 G HN 0.723 nan 8.290 nan 0.000 0.476 281 Y N 3.117 123.423 120.300 0.010 0.000 2.279 281 Y HA 0.415 4.965 4.550 -0.000 0.000 0.350 281 Y C 1.506 177.392 175.900 -0.024 0.000 1.288 281 Y CA 0.205 58.297 58.100 -0.012 0.000 1.547 281 Y CB 0.283 38.743 38.460 0.000 0.000 1.381 281 Y HN 0.368 nan 8.280 nan 0.000 0.630 282 Q N 1.197 121.073 119.800 0.127 0.000 2.432 282 Q HA 0.064 4.404 4.340 -0.000 0.000 0.264 282 Q C -2.420 173.613 176.000 0.055 0.000 1.035 282 Q CA -1.563 54.269 55.803 0.048 0.000 0.908 282 Q CB 0.369 29.110 28.738 0.005 0.000 1.280 282 Q HN 0.360 nan 8.270 nan 0.000 0.455 283 P HA 0.009 nan 4.420 nan 0.000 0.231 283 P C 0.562 177.874 177.300 0.020 0.000 1.168 283 P CA 0.922 64.039 63.100 0.028 0.000 0.779 283 P CB 0.118 31.828 31.700 0.018 0.000 0.844 284 T N -1.124 113.436 114.554 0.010 0.000 3.148 284 T HA -0.004 4.346 4.350 -0.000 0.000 0.253 284 T C 1.497 176.197 174.700 0.000 0.000 1.134 284 T CA 0.003 62.104 62.100 0.002 0.000 1.051 284 T CB -0.658 68.203 68.868 -0.012 0.000 0.959 284 T HN -0.056 nan 8.240 nan 0.000 0.525 285 L N 2.393 123.620 121.223 0.008 0.000 2.010 285 L HA -0.169 4.171 4.340 -0.000 0.000 0.219 285 L C 2.623 179.492 176.870 -0.003 0.000 1.077 285 L CA 2.189 57.025 54.840 -0.007 0.000 0.773 285 L CB -1.270 40.787 42.059 -0.003 0.000 0.892 285 L HN 0.302 nan 8.230 nan 0.000 0.436 286 A N -1.612 121.221 122.820 0.022 0.000 1.877 286 A HA -0.209 4.111 4.320 -0.000 0.000 0.216 286 A C 2.298 179.925 177.584 0.073 0.000 1.186 286 A CA 2.665 54.735 52.037 0.055 0.000 0.620 286 A CB -1.287 17.745 19.000 0.053 0.000 0.822 286 A HN 0.648 nan 8.150 nan 0.000 0.443 287 T N -2.924 111.660 114.554 0.050 0.000 2.978 287 T HA -0.060 4.290 4.350 -0.000 0.000 0.262 287 T C 1.369 176.099 174.700 0.049 0.000 1.063 287 T CA 1.140 63.273 62.100 0.055 0.000 1.140 287 T CB -0.392 68.500 68.868 0.040 0.000 0.886 287 T HN 0.283 nan 8.240 nan 0.000 0.470 288 D N 1.286 121.702 120.400 0.027 0.000 2.126 288 D HA -0.128 4.512 4.640 -0.000 0.000 0.190 288 D C 1.904 178.257 176.300 0.088 0.000 1.001 288 D CA 1.487 55.500 54.000 0.021 0.000 0.841 288 D CB -0.406 40.350 40.800 -0.072 0.000 0.949 288 D HN 0.352 nan 8.370 nan 0.000 0.446 289 M N 0.396 120.033 119.600 0.062 0.000 2.132 289 M HA 0.017 4.497 4.480 -0.000 0.000 0.263 289 M C 1.995 178.251 176.300 -0.074 0.000 1.065 289 M CA 2.034 57.380 55.300 0.077 0.000 1.122 289 M CB -0.707 31.904 32.600 0.019 0.000 1.365 289 M HN -0.002 nan 8.290 nan 0.000 0.411 290 G N -1.204 107.601 108.800 0.007 0.000 2.440 290 G HA2 -0.244 3.716 3.960 -0.000 0.000 0.218 290 G HA3 -0.244 3.716 3.960 -0.000 0.000 0.218 290 G C 1.386 176.313 174.900 0.044 0.000 1.154 290 G CA 1.511 46.657 45.100 0.078 0.000 0.767 290 G HN 0.617 nan 8.290 nan 0.000 0.552 291 T N -2.219 112.365 114.554 0.051 0.000 3.160 291 T HA 0.218 4.568 4.350 -0.000 0.000 0.257 291 T C 1.880 176.599 174.700 0.032 0.000 1.147 291 T CA 0.878 63.009 62.100 0.052 0.000 1.064 291 T CB 0.210 69.118 68.868 0.066 0.000 0.949 291 T HN 0.189 nan 8.240 nan 0.000 0.526 292 M N 0.252 119.853 119.600 0.000 0.000 2.940 292 M HA 0.189 4.669 4.480 -0.000 0.000 0.248 292 M C 1.819 178.047 176.300 -0.121 0.000 1.379 292 M CA 0.767 56.027 55.300 -0.067 0.000 1.262 292 M CB -0.146 32.384 32.600 -0.117 0.000 1.201 292 M HN 0.040 nan 8.290 nan 0.000 0.553 293 Q N 0.932 120.624 119.800 -0.181 0.000 2.368 293 Q HA -0.135 4.205 4.340 -0.000 0.000 0.210 293 Q C 1.361 177.332 176.000 -0.048 0.000 0.982 293 Q CA 1.097 56.780 55.803 -0.201 0.000 0.884 293 Q CB -0.248 28.181 28.738 -0.515 0.000 0.933 293 Q HN 0.552 nan 8.270 nan 0.000 0.460 294 E N 0.001 120.199 120.200 -0.004 0.000 2.478 294 E HA -0.010 4.340 4.350 -0.000 0.000 0.194 294 E C 1.482 178.086 176.600 0.007 0.000 1.045 294 E CA 0.140 56.564 56.400 0.039 0.000 0.868 294 E CB 0.219 29.959 29.700 0.066 0.000 0.885 294 E HN 0.340 nan 8.360 nan 0.000 0.505 295 R N -0.074 120.414 120.500 -0.020 0.000 2.210 295 R HA 0.223 4.563 4.340 -0.000 0.000 0.203 295 R C 0.870 177.148 176.300 -0.036 0.000 1.010 295 R CA 0.156 56.242 56.100 -0.023 0.000 1.008 295 R CB 0.406 30.688 30.300 -0.031 0.000 0.923 295 R HN 0.023 nan 8.270 nan 0.000 0.469 296 I N 1.827 122.366 120.570 -0.052 0.000 2.329 296 I HA 0.071 4.241 4.170 -0.000 0.000 0.295 296 I C 0.140 176.228 176.117 -0.049 0.000 1.109 296 I CA 0.327 61.588 61.300 -0.064 0.000 1.297 296 I CB 0.847 38.789 38.000 -0.096 0.000 1.433 296 I HN 0.011 nan 8.210 nan 0.000 0.509 297 T N 2.998 117.524 114.554 -0.046 0.000 2.686 297 T HA 0.208 4.558 4.350 -0.000 0.000 0.308 297 T C -0.845 173.827 174.700 -0.048 0.000 1.667 297 T CA -0.585 61.489 62.100 -0.045 0.000 0.987 297 T CB 1.369 70.215 68.868 -0.036 0.000 1.652 297 T HN 0.382 nan 8.240 nan 0.000 0.496 298 T N 2.775 117.297 114.554 -0.053 0.000 2.729 298 T HA 0.541 4.891 4.350 -0.000 0.000 0.296 298 T C 0.633 175.298 174.700 -0.058 0.000 0.928 298 T CA -0.308 61.759 62.100 -0.055 0.000 1.045 298 T CB 0.458 69.291 68.868 -0.059 0.000 0.902 298 T HN 0.833 nan 8.240 nan 0.000 0.500 299 T N 0.528 115.051 114.554 -0.051 0.000 2.923 299 T HA 0.398 4.748 4.350 -0.000 0.000 0.281 299 T C 1.354 176.024 174.700 -0.050 0.000 0.995 299 T CA -1.060 61.009 62.100 -0.052 0.000 0.985 299 T CB 1.096 69.939 68.868 -0.041 0.000 1.114 299 T HN 0.251 nan 8.240 nan 0.000 0.548 300 K N 0.612 120.983 120.400 -0.049 0.000 2.097 300 K HA -0.060 4.260 4.320 -0.000 0.000 0.206 300 K C 2.053 178.631 176.600 -0.037 0.000 1.049 300 K CA 1.377 57.639 56.287 -0.043 0.000 0.933 300 K CB -0.275 32.202 32.500 -0.038 0.000 0.717 300 K HN 0.633 nan 8.250 nan 0.000 0.442 301 K N -0.131 120.247 120.400 -0.036 0.000 2.217 301 K HA -0.026 4.294 4.320 -0.000 0.000 0.202 301 K C 1.281 177.860 176.600 -0.034 0.000 1.051 301 K CA 0.857 57.122 56.287 -0.036 0.000 0.952 301 K CB 0.239 32.715 32.500 -0.040 0.000 0.736 301 K HN 0.274 nan 8.250 nan 0.000 0.453 302 G N -0.150 108.629 108.800 -0.035 0.000 2.452 302 G HA2 0.227 4.187 3.960 -0.000 0.000 0.224 302 G HA3 0.227 4.187 3.960 -0.000 0.000 0.224 302 G C -1.578 173.300 174.900 -0.036 0.000 1.208 302 G CA -0.204 44.877 45.100 -0.033 0.000 0.946 302 G HN 0.113 nan 8.290 nan 0.000 0.481 303 S N -0.860 114.821 115.700 -0.031 0.000 2.590 303 S HA 0.513 4.983 4.470 -0.000 0.000 0.286 303 S C -1.116 173.462 174.600 -0.036 0.000 1.147 303 S CA -0.639 57.538 58.200 -0.040 0.000 0.963 303 S CB 0.759 63.926 63.200 -0.054 0.000 1.124 303 S HN 0.915 nan 8.310 nan 0.000 0.458 304 I N 3.885 124.433 120.570 -0.037 0.000 2.322 304 I HA 0.269 4.439 4.170 -0.000 0.000 0.292 304 I C 0.180 176.245 176.117 -0.087 0.000 1.060 304 I CA 0.077 61.347 61.300 -0.050 0.000 1.309 304 I CB 1.133 39.109 38.000 -0.040 0.000 1.415 304 I HN 0.662 nan 8.210 nan 0.000 0.492 305 T N 4.511 118.998 114.554 -0.111 0.000 2.829 305 T HA 0.347 4.697 4.350 -0.000 0.000 0.282 305 T C -0.112 174.447 174.700 -0.236 0.000 0.990 305 T CA -0.599 61.411 62.100 -0.151 0.000 1.028 305 T CB 1.449 70.240 68.868 -0.129 0.000 0.951 305 T HN 0.579 nan 8.240 nan 0.000 0.460 306 S N 2.391 117.927 115.700 -0.274 0.000 2.594 306 S HA 0.591 5.061 4.470 -0.000 0.000 0.296 306 S C -0.807 173.549 174.600 -0.405 0.000 1.124 306 S CA -0.657 57.331 58.200 -0.353 0.000 1.011 306 S CB 0.978 64.016 63.200 -0.270 0.000 1.016 306 S HN 0.445 nan 8.310 nan 0.000 0.485 307 V N 5.594 125.195 119.914 -0.521 0.000 2.370 307 V HA 0.472 4.592 4.120 -0.000 0.000 0.279 307 V C -0.442 175.512 176.094 -0.233 0.000 1.029 307 V CA -0.331 61.733 62.300 -0.394 0.000 0.870 307 V CB 1.331 32.937 31.823 -0.362 0.000 0.984 307 V HN 0.916 nan 8.190 nan 0.000 0.451 308 Q N 3.840 123.525 119.800 -0.192 0.000 2.310 308 Q HA 0.695 5.035 4.340 -0.000 0.000 0.270 308 Q C -0.401 175.498 176.000 -0.170 0.000 1.025 308 Q CA -0.624 55.075 55.803 -0.173 0.000 0.772 308 Q CB 2.356 30.974 28.738 -0.201 0.000 1.253 308 Q HN 0.804 nan 8.270 nan 0.000 0.450 309 A N 4.279 127.026 122.820 -0.121 0.000 2.477 309 A HA 0.448 4.768 4.320 -0.000 0.000 0.246 309 A C -0.045 177.416 177.584 -0.204 0.000 1.078 309 A CA -0.135 51.817 52.037 -0.140 0.000 0.770 309 A CB 0.167 19.142 19.000 -0.042 0.000 1.011 309 A HN 0.661 nan 8.150 nan 0.000 0.494 310 I N 1.666 122.005 120.570 -0.385 0.000 2.433 310 I HA 0.279 4.449 4.170 -0.000 0.000 0.292 310 I C -0.720 175.287 176.117 -0.183 0.000 1.001 310 I CA -0.473 60.627 61.300 -0.333 0.000 1.119 310 I CB 1.178 38.807 38.000 -0.618 0.000 1.289 310 I HN 0.732 nan 8.210 nan 0.000 0.438 311 Y N 5.505 125.720 120.300 -0.143 0.000 2.334 311 Y HA 0.516 5.066 4.550 -0.000 0.000 0.328 311 Y C -0.529 175.222 175.900 -0.249 0.000 1.130 311 Y CA -0.521 57.462 58.100 -0.195 0.000 1.163 311 Y CB 1.610 39.912 38.460 -0.263 0.000 1.207 311 Y HN 0.321 nan 8.280 nan 0.000 0.471 312 V N 8.621 128.077 119.914 -0.764 0.000 2.275 312 V HA 0.288 4.408 4.120 -0.000 0.000 0.272 312 V C -2.273 173.361 176.094 -0.767 0.000 1.028 312 V CA -2.208 59.785 62.300 -0.512 0.000 0.810 312 V CB 0.601 32.326 31.823 -0.164 0.000 1.043 312 V HN 0.752 nan 8.190 nan 0.000 0.453 313 P HA -0.071 nan 4.420 nan 0.000 0.257 313 P C 0.809 178.022 177.300 -0.144 0.000 1.153 313 P CA 1.429 64.407 63.100 -0.205 0.000 0.762 313 P CB 0.342 32.062 31.700 0.033 0.000 0.743 314 A N 4.464 127.230 122.820 -0.090 0.000 2.861 314 A HA -0.256 4.064 4.320 -0.000 0.000 0.261 314 A C 0.756 178.300 177.584 -0.067 0.000 1.351 314 A CA 1.063 53.078 52.037 -0.037 0.000 0.904 314 A CB -2.461 16.549 19.000 0.016 0.000 1.076 314 A HN 0.619 nan 8.150 nan 0.000 0.729 315 D N -0.911 119.405 120.400 -0.141 0.000 2.686 315 D HA -0.169 4.471 4.640 -0.000 0.000 0.235 315 D C -0.301 175.969 176.300 -0.051 0.000 1.160 315 D CA 1.893 55.833 54.000 -0.100 0.000 0.645 315 D CB -0.870 39.892 40.800 -0.063 0.000 1.039 315 D HN 0.829 nan 8.370 nan 0.000 0.423 316 D N 0.413 120.787 120.400 -0.043 0.000 2.438 316 D HA 0.234 4.874 4.640 -0.000 0.000 0.257 316 D C 1.348 177.653 176.300 0.009 0.000 1.148 316 D CA -0.574 53.420 54.000 -0.010 0.000 0.902 316 D CB 0.342 41.148 40.800 0.011 0.000 1.062 316 D HN 0.086 nan 8.370 nan 0.000 0.518 317 L N 2.136 123.358 121.223 -0.002 0.000 2.549 317 L HA -0.097 4.243 4.340 -0.000 0.000 0.230 317 L C 2.062 178.924 176.870 -0.015 0.000 1.162 317 L CA 1.405 56.246 54.840 0.001 0.000 0.834 317 L CB -0.137 41.868 42.059 -0.091 0.000 0.947 317 L HN 0.438 nan 8.230 nan 0.000 0.452 318 T N -5.443 109.107 114.554 -0.007 0.000 3.001 318 T HA -0.015 4.335 4.350 -0.000 0.000 0.251 318 T C 0.791 175.506 174.700 0.025 0.000 1.040 318 T CA -0.491 61.605 62.100 -0.006 0.000 0.985 318 T CB -0.037 68.822 68.868 -0.015 0.000 1.011 318 T HN 0.142 nan 8.240 nan 0.000 0.509 319 D N 2.815 123.243 120.400 0.047 0.000 2.548 319 D HA 0.016 4.656 4.640 -0.000 0.000 0.231 319 D C -1.504 174.812 176.300 0.027 0.000 1.142 319 D CA -1.144 52.903 54.000 0.078 0.000 0.866 319 D CB 1.540 42.411 40.800 0.119 0.000 1.190 319 D HN 0.043 nan 8.370 nan 0.000 0.469 320 P HA -0.131 nan 4.420 nan 0.000 0.216 320 P C 0.929 178.047 177.300 -0.303 0.000 1.150 320 P CA 1.919 64.901 63.100 -0.198 0.000 0.837 320 P CB 0.055 31.564 31.700 -0.318 0.000 0.786 321 A N 0.211 122.757 122.820 -0.457 0.000 1.841 321 A HA -0.145 4.175 4.320 -0.000 0.000 0.216 321 A C -0.039 177.577 177.584 0.054 0.000 1.199 321 A CA 2.340 54.248 52.037 -0.214 0.000 0.621 321 A CB -2.326 16.797 19.000 0.205 0.000 0.835 321 A HN 0.204 nan 8.150 nan 0.000 0.445 322 P HA -0.093 nan 4.420 nan 0.000 0.215 322 P C 1.725 179.266 177.300 0.401 0.000 1.157 322 P CA 1.999 65.251 63.100 0.254 0.000 0.863 322 P CB -0.230 31.666 31.700 0.327 0.000 0.787 323 A N -0.782 122.198 122.820 0.267 0.000 1.917 323 A HA -0.216 4.104 4.320 -0.000 0.000 0.219 323 A C 2.273 179.973 177.584 0.193 0.000 1.182 323 A CA 2.628 54.792 52.037 0.212 0.000 0.633 323 A CB -1.987 17.056 19.000 0.071 0.000 0.819 323 A HN 0.185 nan 8.150 nan 0.000 0.448 324 T N -0.460 114.164 114.554 0.117 0.000 2.812 324 T HA -0.088 4.261 4.350 -0.000 0.000 0.264 324 T C 2.042 176.864 174.700 0.204 0.000 1.042 324 T CA 1.799 63.971 62.100 0.121 0.000 1.140 324 T CB -0.498 68.400 68.868 0.050 0.000 0.870 324 T HN 0.587 nan 8.240 nan 0.000 0.445 325 T N 1.905 116.554 114.554 0.160 0.000 2.652 325 T HA -0.077 4.273 4.350 -0.000 0.000 0.267 325 T C 1.597 176.380 174.700 0.138 0.000 1.039 325 T CA 1.188 63.352 62.100 0.107 0.000 1.153 325 T CB -0.710 68.142 68.868 -0.026 0.000 0.863 325 T HN 0.274 nan 8.240 nan 0.000 0.428 326 F N 1.861 121.881 119.950 0.117 0.000 2.184 326 F HA -0.170 4.357 4.527 -0.000 0.000 0.301 326 F C 2.635 178.476 175.800 0.069 0.000 1.076 326 F CA 0.898 58.957 58.000 0.099 0.000 1.295 326 F CB -0.795 38.252 39.000 0.077 0.000 1.026 326 F HN 0.154 nan 8.300 nan 0.000 0.494 327 A N -0.928 122.030 122.820 0.230 0.000 1.986 327 A HA -0.226 4.094 4.320 -0.000 0.000 0.220 327 A C 1.815 179.351 177.584 -0.080 0.000 1.171 327 A CA 1.866 53.923 52.037 0.033 0.000 0.640 327 A CB -0.960 17.997 19.000 -0.071 0.000 0.811 327 A HN 0.540 nan 8.150 nan 0.000 0.451 328 H N -1.296 117.804 119.070 0.050 0.000 2.539 328 H HA 0.277 4.833 4.556 -0.000 0.000 0.269 328 H C -0.017 175.308 175.328 -0.005 0.000 0.980 328 H CA -0.067 55.988 56.048 0.013 0.000 1.152 328 H CB 0.012 29.770 29.762 -0.007 0.000 1.407 328 H HN 0.323 nan 8.280 nan 0.000 0.564 329 L N 1.408 122.696 121.223 0.108 0.000 2.350 329 L HA 0.072 4.412 4.340 -0.000 0.000 0.275 329 L C 0.837 177.742 176.870 0.058 0.000 1.099 329 L CA 0.065 54.938 54.840 0.056 0.000 0.808 329 L CB 1.101 43.184 42.059 0.039 0.000 1.149 329 L HN 0.078 nan 8.230 nan 0.000 0.442 330 D N 1.966 122.380 120.400 0.024 0.000 2.433 330 D HA 0.368 5.008 4.640 -0.000 0.000 0.211 330 D C 0.032 176.357 176.300 0.041 0.000 1.114 330 D CA 0.331 54.345 54.000 0.023 0.000 0.837 330 D CB 1.443 42.240 40.800 -0.005 0.000 0.984 330 D HN 0.587 nan 8.370 nan 0.000 0.505 331 A N 0.194 123.049 122.820 0.059 0.000 2.550 331 A HA 0.476 4.796 4.320 -0.000 0.000 0.295 331 A C -0.833 176.825 177.584 0.124 0.000 1.001 331 A CA -0.733 51.361 52.037 0.096 0.000 0.660 331 A CB 0.878 19.955 19.000 0.128 0.000 1.308 331 A HN -0.035 nan 8.150 nan 0.000 0.426 332 T N -0.827 113.818 114.554 0.152 0.000 2.893 332 T HA 0.823 5.173 4.350 -0.000 0.000 0.291 332 T C -0.579 174.244 174.700 0.205 0.000 1.028 332 T CA -0.620 61.593 62.100 0.189 0.000 0.995 332 T CB 1.873 70.799 68.868 0.096 0.000 1.051 332 T HN 0.878 nan 8.240 nan 0.000 0.470 333 T N 1.988 116.703 114.554 0.269 0.000 2.906 333 T HA 0.523 4.873 4.350 -0.000 0.000 0.302 333 T C -0.674 174.181 174.700 0.259 0.000 1.002 333 T CA -0.563 61.689 62.100 0.253 0.000 0.988 333 T CB 1.046 70.109 68.868 0.325 0.000 0.972 333 T HN 0.628 nan 8.240 nan 0.000 0.447 334 V N 5.568 125.576 119.914 0.158 0.000 2.334 334 V HA 0.430 4.550 4.120 -0.000 0.000 0.281 334 V C 0.048 176.217 176.094 0.124 0.000 1.016 334 V CA -0.859 61.525 62.300 0.140 0.000 0.832 334 V CB 1.032 32.861 31.823 0.011 0.000 0.999 334 V HN 0.744 nan 8.190 nan 0.000 0.439 335 L N 3.286 124.604 121.223 0.158 0.000 2.350 335 L HA 0.540 4.880 4.340 -0.000 0.000 0.275 335 L C 0.470 177.401 176.870 0.102 0.000 1.099 335 L CA 0.166 55.083 54.840 0.129 0.000 0.808 335 L CB 1.437 43.585 42.059 0.147 0.000 1.149 335 L HN 0.575 nan 8.230 nan 0.000 0.442 336 S N 1.019 116.765 115.700 0.077 0.000 2.605 336 S HA 0.343 4.813 4.470 -0.000 0.000 0.308 336 S C 0.688 175.323 174.600 0.058 0.000 1.113 336 S CA -0.674 57.559 58.200 0.055 0.000 1.049 336 S CB 1.656 64.871 63.200 0.024 0.000 1.001 336 S HN 0.623 nan 8.310 nan 0.000 0.480 337 R N 2.757 123.294 120.500 0.061 0.000 2.091 337 R HA -0.106 4.234 4.340 -0.000 0.000 0.238 337 R C 2.304 178.631 176.300 0.044 0.000 1.136 337 R CA 1.831 57.968 56.100 0.062 0.000 0.959 337 R CB -0.427 29.907 30.300 0.058 0.000 0.856 337 R HN 0.773 nan 8.270 nan 0.000 0.437 338 A N 1.513 124.350 122.820 0.029 0.000 1.873 338 A HA -0.272 4.048 4.320 -0.000 0.000 0.219 338 A C 1.970 179.552 177.584 -0.003 0.000 1.269 338 A CA 2.018 54.061 52.037 0.010 0.000 0.671 338 A CB -0.853 18.146 19.000 -0.000 0.000 0.842 338 A HN 0.248 nan 8.150 nan 0.000 0.460 339 I N -0.170 120.394 120.570 -0.011 0.000 2.208 339 I HA -0.268 3.902 4.170 -0.000 0.000 0.245 339 I C 2.945 179.028 176.117 -0.056 0.000 1.097 339 I CA 1.595 62.871 61.300 -0.039 0.000 1.363 339 I CB -1.776 36.202 38.000 -0.037 0.000 1.051 339 I HN 0.417 nan 8.210 nan 0.000 0.413 340 A N 0.002 122.821 122.820 -0.002 0.000 2.019 340 A HA -0.219 4.100 4.320 -0.000 0.000 0.219 340 A C 2.292 179.893 177.584 0.027 0.000 1.164 340 A CA 1.595 53.653 52.037 0.035 0.000 0.644 340 A CB -0.582 18.516 19.000 0.164 0.000 0.805 340 A HN 0.429 nan 8.150 nan 0.000 0.449 341 E N -0.089 120.127 120.200 0.026 0.000 2.106 341 E HA -0.064 4.286 4.350 -0.000 0.000 0.192 341 E C 1.301 177.902 176.600 0.002 0.000 0.984 341 E CA 0.847 57.267 56.400 0.032 0.000 0.806 341 E CB -0.195 29.521 29.700 0.027 0.000 0.750 341 E HN 0.679 nan 8.360 nan 0.000 0.458 342 L N -0.713 120.488 121.223 -0.036 0.000 2.693 342 L HA 0.232 4.572 4.340 -0.000 0.000 0.242 342 L C 1.183 178.006 176.870 -0.078 0.000 1.157 342 L CA 0.275 55.090 54.840 -0.042 0.000 0.929 342 L CB -0.742 41.290 42.059 -0.046 0.000 1.103 342 L HN 0.231 nan 8.230 nan 0.000 0.430 343 G N 0.996 109.704 108.800 -0.154 0.000 2.225 343 G HA2 -0.260 3.699 3.960 -0.000 0.000 0.267 343 G HA3 -0.260 3.699 3.960 -0.000 0.000 0.267 343 G C 0.171 174.655 174.900 -0.693 0.000 1.024 343 G CA -0.135 44.777 45.100 -0.313 0.000 0.784 343 G HN 0.269 nan 8.290 nan 0.000 0.507 344 I N 0.605 120.751 120.570 -0.706 0.000 2.315 344 I HA 0.445 4.615 4.170 -0.000 0.000 0.291 344 I C -0.344 175.324 176.117 -0.748 0.000 1.006 344 I CA -1.051 59.871 61.300 -0.630 0.000 1.265 344 I CB 0.649 38.471 38.000 -0.296 0.000 1.387 344 I HN 0.076 nan 8.210 nan 0.000 0.475 345 Y N 7.265 127.441 120.300 -0.207 0.000 2.338 345 Y HA 0.475 5.025 4.550 -0.000 0.000 0.333 345 Y C -2.296 173.414 175.900 -0.317 0.000 0.968 345 Y CA -3.279 54.690 58.100 -0.218 0.000 1.123 345 Y CB 1.359 39.674 38.460 -0.242 0.000 1.165 345 Y HN 0.396 nan 8.280 nan 0.000 0.452 346 P HA 0.295 nan 4.420 nan 0.000 0.281 346 P C -0.430 176.920 177.300 0.083 0.000 1.249 346 P CA -0.727 62.445 63.100 0.120 0.000 0.810 346 P CB 1.167 33.023 31.700 0.259 0.000 1.008 347 A N 2.580 125.475 122.820 0.125 0.000 3.029 347 A HA 0.239 4.559 4.320 -0.000 0.000 0.251 347 A C 0.193 177.812 177.584 0.059 0.000 1.749 347 A CA -0.183 51.889 52.037 0.058 0.000 1.386 347 A CB -1.406 17.646 19.000 0.087 0.000 1.043 347 A HN 0.362 nan 8.150 nan 0.000 0.638 348 V N 1.577 121.519 119.914 0.046 0.000 2.455 348 V HA 0.061 4.181 4.120 -0.000 0.000 0.273 348 V C 0.445 176.541 176.094 0.003 0.000 1.045 348 V CA -0.692 61.635 62.300 0.044 0.000 0.976 348 V CB 1.079 32.931 31.823 0.048 0.000 0.993 348 V HN 0.626 nan 8.190 nan 0.000 0.475 349 D N 8.413 128.816 120.400 0.004 0.000 2.363 349 D HA 0.092 4.732 4.640 -0.000 0.000 0.263 349 D C -1.308 174.973 176.300 -0.033 0.000 1.258 349 D CA -1.520 52.466 54.000 -0.023 0.000 0.907 349 D CB 1.731 42.517 40.800 -0.023 0.000 1.107 349 D HN 0.333 nan 8.370 nan 0.000 0.495 350 P HA -0.009 nan 4.420 nan 0.000 0.245 350 P C 1.128 178.388 177.300 -0.066 0.000 1.212 350 P CA 0.358 63.417 63.100 -0.067 0.000 0.774 350 P CB 0.517 32.162 31.700 -0.092 0.000 0.999 351 L N -1.204 119.984 121.223 -0.059 0.000 2.433 351 L HA 0.168 4.508 4.340 -0.000 0.000 0.200 351 L C 2.173 179.012 176.870 -0.051 0.000 1.059 351 L CA 0.601 55.407 54.840 -0.056 0.000 0.835 351 L CB -0.885 41.139 42.059 -0.058 0.000 1.076 351 L HN -0.179 nan 8.230 nan 0.000 0.481 352 D N 0.184 120.552 120.400 -0.054 0.000 2.144 352 D HA -0.080 4.560 4.640 -0.000 0.000 0.199 352 D C 0.828 177.087 176.300 -0.068 0.000 0.984 352 D CA 0.719 54.678 54.000 -0.069 0.000 0.834 352 D CB 0.230 40.985 40.800 -0.075 0.000 0.955 352 D HN 0.038 nan 8.370 nan 0.000 0.465 353 S N -0.709 114.968 115.700 -0.038 0.000 2.564 353 S HA 0.419 4.889 4.470 -0.000 0.000 0.278 353 S C 0.181 174.782 174.600 0.002 0.000 1.333 353 S CA -0.222 57.975 58.200 -0.004 0.000 1.048 353 S CB 1.300 64.515 63.200 0.026 0.000 0.900 353 S HN 0.327 nan 8.310 nan 0.000 0.505 354 T N 0.217 114.788 114.554 0.028 0.000 2.830 354 T HA 0.606 4.956 4.350 -0.000 0.000 0.322 354 T C -1.313 173.425 174.700 0.063 0.000 1.501 354 T CA -0.669 61.450 62.100 0.032 0.000 1.036 354 T CB 1.651 70.527 68.868 0.014 0.000 1.379 354 T HN 0.459 nan 8.240 nan 0.000 0.493 355 S N 0.389 116.122 115.700 0.056 0.000 2.541 355 S HA 0.481 4.951 4.470 -0.000 0.000 0.280 355 S C 0.694 175.319 174.600 0.040 0.000 1.112 355 S CA -0.738 57.500 58.200 0.063 0.000 0.925 355 S CB 1.867 65.111 63.200 0.073 0.000 1.067 355 S HN 0.890 nan 8.310 nan 0.000 0.479 356 R N 2.920 123.441 120.500 0.035 0.000 2.280 356 R HA 0.115 4.455 4.340 -0.000 0.000 0.207 356 R C 1.226 177.523 176.300 -0.005 0.000 1.043 356 R CA 1.346 57.456 56.100 0.016 0.000 1.006 356 R CB -0.437 29.873 30.300 0.017 0.000 0.885 356 R HN 0.814 nan 8.270 nan 0.000 0.467 357 I N -2.260 118.305 120.570 -0.007 0.000 3.855 357 I HA 0.215 4.385 4.170 -0.000 0.000 0.327 357 I C 0.312 176.394 176.117 -0.057 0.000 1.359 357 I CA -0.276 61.001 61.300 -0.039 0.000 1.142 357 I CB 0.464 38.439 38.000 -0.042 0.000 1.041 357 I HN -0.072 nan 8.210 nan 0.000 0.403 358 M N 2.245 121.835 119.600 -0.016 0.000 3.435 358 M HA 0.233 4.713 4.480 -0.000 0.000 0.205 358 M C -0.406 175.888 176.300 -0.010 0.000 1.324 358 M CA 0.316 55.640 55.300 0.041 0.000 1.455 358 M CB -1.500 31.168 32.600 0.113 0.000 1.240 358 M HN 0.234 nan 8.290 nan 0.000 0.477 359 D N 1.154 121.474 120.400 -0.134 0.000 2.193 359 D HA 0.301 4.941 4.640 -0.000 0.000 0.244 359 D C -1.611 174.470 176.300 -0.364 0.000 1.064 359 D CA -1.918 51.912 54.000 -0.283 0.000 0.845 359 D CB 2.165 42.861 40.800 -0.172 0.000 1.148 359 D HN 0.077 nan 8.370 nan 0.000 0.464 360 P HA -0.143 nan 4.420 nan 0.000 0.218 360 P C 1.068 178.257 177.300 -0.185 0.000 1.149 360 P CA 0.638 63.496 63.100 -0.404 0.000 0.817 360 P CB 0.473 31.872 31.700 -0.502 0.000 0.785 361 N N -0.101 118.478 118.700 -0.201 0.000 2.192 361 N HA -0.120 4.620 4.740 -0.000 0.000 0.188 361 N C 1.722 177.180 175.510 -0.087 0.000 1.013 361 N CA 1.184 54.164 53.050 -0.117 0.000 0.863 361 N CB -0.143 38.276 38.487 -0.113 0.000 0.990 361 N HN 0.278 nan 8.380 nan 0.000 0.430 362 I N -0.267 120.243 120.570 -0.100 0.000 3.172 362 I HA -0.013 4.157 4.170 -0.000 0.000 0.278 362 I C 1.307 177.381 176.117 -0.072 0.000 1.174 362 I CA 0.224 61.477 61.300 -0.078 0.000 1.445 362 I CB 0.113 38.064 38.000 -0.080 0.000 1.175 362 I HN -0.143 nan 8.210 nan 0.000 0.447 363 V N -0.951 118.907 119.914 -0.093 0.000 4.263 363 V HA 0.693 4.813 4.120 -0.000 0.000 0.280 363 V C 1.053 177.147 176.094 -0.000 0.000 1.327 363 V CA -0.477 61.769 62.300 -0.091 0.000 0.863 363 V CB -0.572 31.067 31.823 -0.306 0.000 1.289 363 V HN 0.154 nan 8.190 nan 0.000 0.450 364 G N -0.172 108.686 108.800 0.096 0.000 2.744 364 G HA2 0.324 4.284 3.960 -0.000 0.000 0.257 364 G HA3 0.324 4.284 3.960 -0.000 0.000 0.257 364 G C 0.662 175.644 174.900 0.137 0.000 1.244 364 G CA 0.363 45.553 45.100 0.149 0.000 0.916 364 G HN 0.937 nan 8.290 nan 0.000 0.564 365 S N -1.394 114.384 115.700 0.130 0.000 2.497 365 S HA 0.053 4.523 4.470 -0.000 0.000 0.218 365 S C 1.739 176.443 174.600 0.174 0.000 1.023 365 S CA 0.449 58.741 58.200 0.154 0.000 0.913 365 S CB 0.333 63.591 63.200 0.097 0.000 0.800 365 S HN 0.747 nan 8.310 nan 0.000 0.505 366 E N 1.552 121.837 120.200 0.142 0.000 2.021 366 E HA -0.170 4.180 4.350 -0.000 0.000 0.189 366 E C 1.824 178.515 176.600 0.152 0.000 0.980 366 E CA 0.785 57.255 56.400 0.116 0.000 0.803 366 E CB -0.214 29.538 29.700 0.087 0.000 0.766 366 E HN 0.659 nan 8.360 nan 0.000 0.449 367 H N -1.217 117.901 119.070 0.080 0.000 2.319 367 H HA -0.245 4.311 4.556 -0.000 0.000 0.297 367 H C 2.115 177.493 175.328 0.083 0.000 1.097 367 H CA 2.099 58.190 56.048 0.071 0.000 1.285 367 H CB -0.127 29.677 29.762 0.071 0.000 1.368 367 H HN 0.262 nan 8.280 nan 0.000 0.495 368 Y N 1.431 121.850 120.300 0.199 0.000 2.089 368 Y HA -0.213 4.337 4.550 -0.000 0.000 0.282 368 Y C 2.125 178.066 175.900 0.069 0.000 1.139 368 Y CA 1.934 60.092 58.100 0.096 0.000 1.123 368 Y CB -0.606 37.876 38.460 0.036 0.000 0.980 368 Y HN 0.271 nan 8.280 nan 0.000 0.493 369 D N -0.415 119.964 120.400 -0.034 0.000 2.133 369 D HA -0.192 4.448 4.640 -0.000 0.000 0.195 369 D C 2.429 178.650 176.300 -0.132 0.000 0.997 369 D CA 1.680 55.596 54.000 -0.141 0.000 0.840 369 D CB -0.461 40.347 40.800 0.014 0.000 0.947 369 D HN 0.311 nan 8.370 nan 0.000 0.452 370 V N 1.135 121.019 119.914 -0.051 0.000 2.237 370 V HA -0.259 3.861 4.120 -0.000 0.000 0.245 370 V C 2.504 178.537 176.094 -0.101 0.000 1.046 370 V CA 1.918 64.190 62.300 -0.047 0.000 1.007 370 V CB -0.899 30.912 31.823 -0.020 0.000 0.638 370 V HN 0.211 nan 8.190 nan 0.000 0.445 371 A N -0.178 122.582 122.820 -0.100 0.000 1.873 371 A HA -0.267 4.053 4.320 -0.000 0.000 0.218 371 A C 2.302 179.776 177.584 -0.183 0.000 1.193 371 A CA 1.899 53.858 52.037 -0.129 0.000 0.629 371 A CB -0.622 18.367 19.000 -0.018 0.000 0.826 371 A HN 0.386 nan 8.150 nan 0.000 0.447 372 R N -0.548 119.776 120.500 -0.293 0.000 2.170 372 R HA -0.147 4.193 4.340 -0.000 0.000 0.242 372 R C 2.222 178.418 176.300 -0.173 0.000 1.145 372 R CA 1.264 57.187 56.100 -0.294 0.000 0.984 372 R CB -1.242 28.762 30.300 -0.494 0.000 0.869 372 R HN 0.599 nan 8.270 nan 0.000 0.455 373 G N -0.237 108.477 108.800 -0.144 0.000 2.404 373 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.214 373 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.214 373 G C 1.516 176.376 174.900 -0.068 0.000 1.189 373 G CA 0.540 45.590 45.100 -0.082 0.000 0.789 373 G HN 0.172 nan 8.290 nan 0.000 0.533 374 V N 0.570 120.425 119.914 -0.099 0.000 2.392 374 V HA -0.256 3.864 4.120 -0.000 0.000 0.249 374 V C 2.800 178.832 176.094 -0.102 0.000 1.059 374 V CA 2.173 64.402 62.300 -0.117 0.000 1.051 374 V CB -0.675 30.987 31.823 -0.269 0.000 0.658 374 V HN 0.375 nan 8.190 nan 0.000 0.455 375 Q N -0.067 119.667 119.800 -0.110 0.000 1.967 375 Q HA -0.229 4.111 4.340 -0.000 0.000 0.202 375 Q C 2.491 178.460 176.000 -0.053 0.000 0.985 375 Q CA 2.005 57.758 55.803 -0.084 0.000 0.839 375 Q CB -0.269 28.417 28.738 -0.087 0.000 0.906 375 Q HN 0.527 nan 8.270 nan 0.000 0.423 376 K N 0.631 121.001 120.400 -0.050 0.000 2.020 376 K HA -0.205 4.115 4.320 -0.000 0.000 0.212 376 K C 2.066 178.665 176.600 -0.001 0.000 1.050 376 K CA 1.423 57.694 56.287 -0.027 0.000 0.929 376 K CB -0.328 32.154 32.500 -0.030 0.000 0.714 376 K HN 0.266 nan 8.250 nan 0.000 0.443 377 I N 1.059 121.632 120.570 0.005 0.000 2.264 377 I HA -0.298 3.872 4.170 -0.000 0.000 0.248 377 I C 2.005 178.169 176.117 0.078 0.000 1.111 377 I CA 1.146 62.470 61.300 0.041 0.000 1.382 377 I CB 0.064 38.091 38.000 0.045 0.000 1.060 377 I HN 0.271 nan 8.210 nan 0.000 0.418 378 L N 0.057 121.303 121.223 0.039 0.000 2.109 378 L HA -0.232 4.108 4.340 -0.000 0.000 0.207 378 L C 2.562 179.440 176.870 0.013 0.000 1.086 378 L CA 1.321 56.177 54.840 0.026 0.000 0.760 378 L CB -0.343 41.695 42.059 -0.034 0.000 0.910 378 L HN 0.279 nan 8.230 nan 0.000 0.437 379 Q N -0.427 119.376 119.800 0.006 0.000 2.016 379 Q HA -0.203 4.137 4.340 -0.000 0.000 0.200 379 Q C 1.849 177.876 176.000 0.046 0.000 0.978 379 Q CA 1.570 57.377 55.803 0.006 0.000 0.833 379 Q CB -0.106 28.629 28.738 -0.005 0.000 0.895 379 Q HN 0.352 nan 8.270 nan 0.000 0.427 380 D N -0.149 120.286 120.400 0.057 0.000 2.154 380 D HA -0.221 4.419 4.640 -0.000 0.000 0.190 380 D C 1.631 178.012 176.300 0.135 0.000 1.003 380 D CA 1.199 55.242 54.000 0.071 0.000 0.849 380 D CB -0.408 40.424 40.800 0.053 0.000 0.942 380 D HN 0.224 nan 8.370 nan 0.000 0.446 381 Y N 1.648 121.946 120.300 -0.003 0.000 2.097 381 Y HA -0.190 4.360 4.550 -0.000 0.000 0.282 381 Y C 2.003 177.903 175.900 -0.000 0.000 1.152 381 Y CA 1.587 59.688 58.100 0.001 0.000 1.136 381 Y CB -0.589 37.874 38.460 0.004 0.000 0.975 381 Y HN -0.113 nan 8.280 nan 0.000 0.498 382 K N -0.225 120.278 120.400 0.173 0.000 2.585 382 K HA -0.085 4.235 4.320 -0.000 0.000 0.194 382 K C 1.803 178.450 176.600 0.078 0.000 1.037 382 K CA 0.914 57.220 56.287 0.031 0.000 0.964 382 K CB 0.022 32.482 32.500 -0.067 0.000 0.787 382 K HN 0.270 nan 8.250 nan 0.000 0.488 383 S N 0.144 115.911 115.700 0.111 0.000 2.452 383 S HA 0.105 4.575 4.470 -0.000 0.000 0.225 383 S C 1.513 176.160 174.600 0.079 0.000 1.057 383 S CA 0.077 58.320 58.200 0.072 0.000 0.949 383 S CB 0.074 63.304 63.200 0.050 0.000 0.836 383 S HN 0.231 nan 8.310 nan 0.000 0.518 384 L N 1.711 122.992 121.223 0.096 0.000 2.187 384 L HA -0.121 4.219 4.340 -0.000 0.000 0.213 384 L C 2.497 179.419 176.870 0.087 0.000 1.100 384 L CA 1.125 56.002 54.840 0.061 0.000 0.765 384 L CB -0.661 41.403 42.059 0.009 0.000 0.904 384 L HN 0.376 nan 8.230 nan 0.000 0.437 385 Q N 0.054 119.957 119.800 0.171 0.000 2.291 385 Q HA -0.199 4.141 4.340 -0.000 0.000 0.206 385 Q C 1.226 177.279 176.000 0.089 0.000 0.976 385 Q CA 1.267 57.175 55.803 0.176 0.000 0.875 385 Q CB 0.115 28.974 28.738 0.202 0.000 0.927 385 Q HN 0.547 nan 8.270 nan 0.000 0.450 386 D N -0.703 119.736 120.400 0.065 0.000 2.327 386 D HA 0.029 4.669 4.640 -0.000 0.000 0.205 386 D C 1.503 177.822 176.300 0.031 0.000 0.989 386 D CA 0.444 54.468 54.000 0.039 0.000 0.873 386 D CB 0.245 41.063 40.800 0.030 0.000 0.955 386 D HN 0.253 nan 8.370 nan 0.000 0.515 387 I N 0.558 121.148 120.570 0.033 0.000 2.272 387 I HA -0.102 4.068 4.170 -0.000 0.000 0.235 387 I C 2.233 178.362 176.117 0.020 0.000 1.071 387 I CA 0.433 61.746 61.300 0.022 0.000 1.374 387 I CB -0.142 37.868 38.000 0.017 0.000 1.121 387 I HN -0.154 nan 8.210 nan 0.000 0.420 388 I N 1.363 121.947 120.570 0.023 0.000 2.290 388 I HA -0.386 3.784 4.170 -0.000 0.000 0.253 388 I C 2.689 178.821 176.117 0.025 0.000 1.112 388 I CA 1.521 62.833 61.300 0.020 0.000 1.377 388 I CB -0.560 37.454 38.000 0.023 0.000 1.060 388 I HN 0.295 nan 8.210 nan 0.000 0.428 389 A N 1.096 123.935 122.820 0.031 0.000 1.872 389 A HA 0.013 4.333 4.320 -0.000 0.000 0.214 389 A C 1.177 178.773 177.584 0.019 0.000 1.187 389 A CA 1.193 53.246 52.037 0.028 0.000 0.614 389 A CB -0.354 18.664 19.000 0.031 0.000 0.826 389 A HN 0.465 nan 8.150 nan 0.000 0.442 390 I N -3.626 116.954 120.570 0.017 0.000 2.698 390 I HA 0.566 4.736 4.170 -0.000 0.000 0.276 390 I C -0.217 175.906 176.117 0.010 0.000 1.166 390 I CA -0.017 61.290 61.300 0.012 0.000 1.101 390 I CB 1.505 39.512 38.000 0.011 0.000 1.305 390 I HN 0.087 nan 8.210 nan 0.000 0.526 391 L N 2.133 123.361 121.223 0.009 0.000 1.728 391 L HA 0.469 4.809 4.340 -0.000 0.000 0.193 391 L C 0.238 177.111 176.870 0.005 0.000 1.247 391 L CA 1.064 55.908 54.840 0.007 0.000 1.304 391 L CB 0.380 42.443 42.059 0.007 0.000 2.616 391 L HN 0.765 nan 8.230 nan 0.000 0.504 392 G N 0.235 109.038 108.800 0.005 0.000 2.322 392 G HA2 0.132 4.092 3.960 -0.000 0.000 0.289 392 G HA3 0.132 4.092 3.960 -0.000 0.000 0.289 392 G C -0.265 174.636 174.900 0.001 0.000 1.687 392 G CA 0.132 45.233 45.100 0.003 0.000 0.944 392 G HN 0.024 nan 8.290 nan 0.000 0.718 393 M N 0.422 120.022 119.600 -0.000 0.000 2.447 393 M HA 0.162 4.642 4.480 -0.000 0.000 0.264 393 M C 0.998 177.292 176.300 -0.010 0.000 1.095 393 M CA 1.300 56.598 55.300 -0.004 0.000 1.125 393 M CB 0.249 32.848 32.600 -0.001 0.000 1.389 393 M HN 0.481 nan 8.290 nan 0.000 0.459 394 D N -0.338 120.058 120.400 -0.008 0.000 2.395 394 D HA -0.001 4.639 4.640 -0.000 0.000 0.213 394 D C 0.865 177.160 176.300 -0.009 0.000 1.110 394 D CA 0.084 54.078 54.000 -0.010 0.000 0.835 394 D CB 0.097 40.893 40.800 -0.007 0.000 0.965 394 D HN 0.321 nan 8.370 nan 0.000 0.505 395 E N 0.665 120.861 120.200 -0.008 0.000 2.515 395 E HA -0.022 4.328 4.350 -0.000 0.000 0.201 395 E C 0.346 176.941 176.600 -0.009 0.000 1.071 395 E CA 0.387 56.783 56.400 -0.006 0.000 0.880 395 E CB 0.308 30.007 29.700 -0.003 0.000 0.828 395 E HN 0.257 nan 8.360 nan 0.000 0.540 396 L N 0.609 121.823 121.223 -0.014 0.000 2.334 396 L HA 0.255 4.594 4.340 -0.000 0.000 0.275 396 L C 1.062 177.923 176.870 -0.015 0.000 1.036 396 L CA -0.655 54.175 54.840 -0.017 0.000 0.807 396 L CB 0.658 42.698 42.059 -0.030 0.000 1.231 396 L HN -0.150 nan 8.230 nan 0.000 0.438 397 S N 1.001 116.694 115.700 -0.013 0.000 2.592 397 S HA 0.025 4.495 4.470 -0.000 0.000 0.256 397 S C 0.811 175.403 174.600 -0.012 0.000 1.369 397 S CA -0.250 57.943 58.200 -0.010 0.000 0.984 397 S CB 0.657 63.852 63.200 -0.008 0.000 0.919 397 S HN 0.601 nan 8.310 nan 0.000 0.576 398 E N 0.085 120.280 120.200 -0.009 0.000 2.516 398 E HA -0.028 4.322 4.350 -0.000 0.000 0.199 398 E C 1.504 178.099 176.600 -0.008 0.000 1.069 398 E CA 0.503 56.898 56.400 -0.008 0.000 0.876 398 E CB -0.175 29.523 29.700 -0.004 0.000 0.843 398 E HN 0.854 nan 8.360 nan 0.000 0.530 399 E N 0.659 120.854 120.200 -0.009 0.000 2.045 399 E HA -0.105 4.244 4.350 -0.000 0.000 0.190 399 E C 1.155 177.745 176.600 -0.016 0.000 0.968 399 E CA 0.574 56.969 56.400 -0.008 0.000 0.813 399 E CB 0.292 29.989 29.700 -0.006 0.000 0.780 399 E HN 0.013 nan 8.360 nan 0.000 0.455 400 D N 0.975 121.363 120.400 -0.021 0.000 2.117 400 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 400 D C 1.739 178.006 176.300 -0.055 0.000 0.987 400 D CA 0.778 54.756 54.000 -0.037 0.000 0.829 400 D CB -0.175 40.605 40.800 -0.034 0.000 0.961 400 D HN 0.112 nan 8.370 nan 0.000 0.460 401 K N 0.016 120.390 120.400 -0.043 0.000 2.107 401 K HA -0.216 4.104 4.320 -0.000 0.000 0.211 401 K C 2.056 178.628 176.600 -0.047 0.000 1.049 401 K CA 0.891 57.151 56.287 -0.045 0.000 0.927 401 K CB -0.249 32.235 32.500 -0.025 0.000 0.714 401 K HN 0.074 nan 8.250 nan 0.000 0.452 402 L N 0.650 121.855 121.223 -0.030 0.000 2.049 402 L HA -0.151 4.189 4.340 -0.000 0.000 0.203 402 L C 2.581 179.434 176.870 -0.029 0.000 1.074 402 L CA 2.353 57.183 54.840 -0.017 0.000 0.749 402 L CB -1.107 40.953 42.059 0.001 0.000 0.907 402 L HN 0.356 nan 8.230 nan 0.000 0.439 403 T N -3.378 111.154 114.554 -0.036 0.000 2.653 403 T HA -0.259 4.091 4.350 -0.000 0.000 0.268 403 T C 1.910 176.553 174.700 -0.094 0.000 1.035 403 T CA 1.936 64.013 62.100 -0.037 0.000 1.154 403 T CB -1.349 67.502 68.868 -0.027 0.000 0.862 403 T HN 0.122 nan 8.240 nan 0.000 0.441 404 V N 2.182 121.980 119.914 -0.192 0.000 2.688 404 V HA -0.152 3.968 4.120 -0.000 0.000 0.256 404 V C 3.068 179.029 176.094 -0.223 0.000 1.084 404 V CA 2.046 64.108 62.300 -0.397 0.000 1.103 404 V CB -0.704 30.872 31.823 -0.412 0.000 0.688 404 V HN 0.903 nan 8.190 nan 0.000 0.480 405 S N -0.308 115.342 115.700 -0.083 0.000 2.398 405 S HA -0.084 4.386 4.470 -0.000 0.000 0.220 405 S C 2.044 176.673 174.600 0.048 0.000 1.046 405 S CA 0.418 58.618 58.200 -0.000 0.000 0.953 405 S CB -0.476 62.736 63.200 0.020 0.000 0.856 405 S HN 0.480 nan 8.310 nan 0.000 0.506 406 R N 1.283 121.807 120.500 0.039 0.000 2.185 406 R HA -0.092 4.248 4.340 -0.000 0.000 0.247 406 R C 2.385 178.729 176.300 0.073 0.000 1.159 406 R CA 1.436 57.569 56.100 0.054 0.000 0.988 406 R CB -0.606 29.721 30.300 0.045 0.000 0.871 406 R HN 0.659 nan 8.270 nan 0.000 0.458 407 A N 0.545 123.423 122.820 0.096 0.000 1.887 407 A HA -0.032 4.288 4.320 -0.000 0.000 0.212 407 A C 1.949 179.670 177.584 0.229 0.000 1.198 407 A CA 0.387 52.535 52.037 0.185 0.000 0.628 407 A CB -0.116 19.077 19.000 0.321 0.000 0.847 407 A HN 0.157 nan 8.150 nan 0.000 0.449 408 R N 0.305 120.956 120.500 0.253 0.000 2.159 408 R HA -0.104 4.236 4.340 -0.000 0.000 0.237 408 R C 1.935 178.359 176.300 0.206 0.000 1.131 408 R CA 1.620 57.879 56.100 0.265 0.000 0.982 408 R CB -0.216 30.220 30.300 0.227 0.000 0.868 408 R HN 0.487 nan 8.270 nan 0.000 0.453 409 K N 0.287 120.793 120.400 0.177 0.000 2.116 409 K HA 0.002 4.322 4.320 -0.000 0.000 0.203 409 K C 2.024 178.622 176.600 -0.004 0.000 1.052 409 K CA 0.808 57.195 56.287 0.166 0.000 0.952 409 K CB -0.000 32.568 32.500 0.114 0.000 0.729 409 K HN 0.113 nan 8.250 nan 0.000 0.446 410 I N 2.262 122.866 120.570 0.056 0.000 2.142 410 I HA -0.309 3.861 4.170 -0.000 0.000 0.240 410 I C 2.222 178.464 176.117 0.207 0.000 1.078 410 I CA 1.439 62.841 61.300 0.169 0.000 1.343 410 I CB -0.108 37.999 38.000 0.179 0.000 1.046 410 I HN 0.273 nan 8.210 nan 0.000 0.405 411 Q N 0.273 120.155 119.800 0.137 0.000 2.452 411 Q HA -0.104 4.236 4.340 -0.000 0.000 0.214 411 Q C 1.612 177.656 176.000 0.073 0.000 0.966 411 Q CA 0.593 56.444 55.803 0.079 0.000 0.964 411 Q CB 0.073 28.828 28.738 0.027 0.000 0.992 411 Q HN 0.435 nan 8.270 nan 0.000 0.517 412 R N -1.131 119.445 120.500 0.127 0.000 2.428 412 R HA 0.132 4.472 4.340 -0.000 0.000 0.193 412 R C 0.816 177.196 176.300 0.133 0.000 0.852 412 R CA -0.140 56.026 56.100 0.110 0.000 1.055 412 R CB 0.218 30.658 30.300 0.234 0.000 1.343 412 R HN 0.224 nan 8.270 nan 0.000 0.655 413 F N 1.325 121.251 119.950 -0.040 0.000 2.788 413 F HA 0.083 4.610 4.527 -0.000 0.000 0.300 413 F C 0.875 176.667 175.800 -0.014 0.000 1.229 413 F CA 0.747 58.655 58.000 -0.153 0.000 1.446 413 F CB -0.079 38.627 39.000 -0.490 0.000 1.118 413 F HN 0.029 nan 8.300 nan 0.000 0.579 414 L N -1.096 120.173 121.223 0.076 0.000 2.577 414 L HA 0.118 4.458 4.340 -0.000 0.000 0.225 414 L C 1.321 178.142 176.870 -0.082 0.000 1.053 414 L CA 0.246 55.107 54.840 0.036 0.000 0.866 414 L CB -0.133 41.952 42.059 0.044 0.000 1.132 414 L HN 0.028 nan 8.230 nan 0.000 0.486 415 S N 0.551 116.161 115.700 -0.150 0.000 2.584 415 S HA 0.335 4.805 4.470 -0.000 0.000 0.270 415 S C -0.326 174.139 174.600 -0.225 0.000 1.346 415 S CA -0.480 57.566 58.200 -0.257 0.000 1.018 415 S CB 1.279 64.191 63.200 -0.480 0.000 0.899 415 S HN 0.358 nan 8.310 nan 0.000 0.542 416 Q N -0.590 119.044 119.800 -0.277 0.000 2.647 416 Q HA 0.445 4.785 4.340 -0.000 0.000 0.283 416 Q C -3.427 172.349 176.000 -0.373 0.000 0.943 416 Q CA -1.899 53.767 55.803 -0.229 0.000 0.813 416 Q CB 1.522 30.193 28.738 -0.112 0.000 1.477 416 Q HN 0.483 nan 8.270 nan 0.000 0.393 417 P HA 0.270 nan 4.420 nan 0.000 0.287 417 P C -1.145 176.136 177.300 -0.032 0.000 1.281 417 P CA -0.052 62.941 63.100 -0.179 0.000 0.781 417 P CB 0.256 31.942 31.700 -0.024 0.000 0.903 418 F N 1.563 121.519 119.950 0.010 0.000 2.408 418 F HA 0.238 4.764 4.527 -0.000 0.000 0.344 418 F C 2.291 178.108 175.800 0.028 0.000 1.112 418 F CA -0.682 57.330 58.000 0.020 0.000 1.096 418 F CB 1.721 40.733 39.000 0.020 0.000 1.129 418 F HN 0.386 nan 8.300 nan 0.000 0.486 419 Q N 1.871 121.815 119.800 0.240 0.000 2.181 419 Q HA -0.145 4.195 4.340 -0.000 0.000 0.205 419 Q C 1.705 177.772 176.000 0.112 0.000 0.980 419 Q CA 1.403 57.286 55.803 0.133 0.000 0.862 419 Q CB 0.084 28.873 28.738 0.086 0.000 0.905 419 Q HN 0.685 nan 8.270 nan 0.000 0.429 420 V N 0.162 120.147 119.914 0.118 0.000 2.626 420 V HA -0.135 3.985 4.120 -0.000 0.000 0.252 420 V C 1.138 177.299 176.094 0.111 0.000 1.067 420 V CA 1.490 63.839 62.300 0.081 0.000 1.081 420 V CB -0.133 31.715 31.823 0.040 0.000 0.686 420 V HN 0.419 nan 8.190 nan 0.000 0.468 421 A N -0.859 122.055 122.820 0.157 0.000 3.201 421 A HA 0.427 4.747 4.320 -0.000 0.000 0.312 421 A C 1.061 178.717 177.584 0.120 0.000 1.011 421 A CA -0.364 51.760 52.037 0.145 0.000 0.987 421 A CB 0.066 19.153 19.000 0.146 0.000 1.060 421 A HN 0.468 nan 8.150 nan 0.000 0.505 422 E N -0.391 119.876 120.200 0.112 0.000 2.024 422 E HA -0.035 4.315 4.350 -0.000 0.000 0.190 422 E C 1.682 178.341 176.600 0.097 0.000 0.974 422 E CA 1.059 57.516 56.400 0.095 0.000 0.810 422 E CB -0.301 29.448 29.700 0.081 0.000 0.775 422 E HN 0.316 nan 8.360 nan 0.000 0.453 423 V N 1.394 121.367 119.914 0.098 0.000 2.408 423 V HA -0.392 3.728 4.120 -0.000 0.000 0.231 423 V C 2.015 178.217 176.094 0.181 0.000 1.017 423 V CA 2.658 65.027 62.300 0.114 0.000 1.102 423 V CB -0.960 30.928 31.823 0.108 0.000 0.904 423 V HN 0.327 nan 8.190 nan 0.000 0.489 424 F N 1.484 121.446 119.950 0.019 0.000 2.387 424 F HA 0.002 4.529 4.527 -0.000 0.000 0.294 424 F C 2.450 178.266 175.800 0.025 0.000 1.093 424 F CA 1.834 59.842 58.000 0.014 0.000 1.420 424 F CB -0.784 38.218 39.000 0.004 0.000 1.086 424 F HN 0.462 nan 8.300 nan 0.000 0.531 425 T N -2.635 111.860 114.554 -0.097 0.000 2.755 425 T HA 0.316 4.666 4.350 -0.000 0.000 0.251 425 T C 2.031 176.697 174.700 -0.056 0.000 1.044 425 T CA 1.337 63.333 62.100 -0.174 0.000 1.154 425 T CB -0.701 68.149 68.868 -0.031 0.000 0.866 425 T HN 0.558 nan 8.240 nan 0.000 0.416 426 G N 0.444 109.247 108.800 0.004 0.000 2.253 426 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.209 426 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.209 426 G C -0.003 174.869 174.900 -0.046 0.000 0.997 426 G CA 0.003 45.087 45.100 -0.026 0.000 0.640 426 G HN 0.809 nan 8.290 nan 0.000 0.496 427 H N 1.360 120.415 119.070 -0.026 0.000 3.253 427 H HA 0.413 4.969 4.556 -0.000 0.000 0.250 427 H C 1.328 176.662 175.328 0.009 0.000 1.051 427 H CA 0.342 56.385 56.048 -0.009 0.000 1.458 427 H CB 0.273 30.025 29.762 -0.017 0.000 1.549 427 H HN 0.655 nan 8.280 nan 0.000 0.506 428 L N 2.997 124.277 121.223 0.095 0.000 2.554 428 L HA 0.120 4.460 4.340 -0.000 0.000 0.293 428 L C 0.504 177.440 176.870 0.109 0.000 1.252 428 L CA 0.297 55.186 54.840 0.083 0.000 0.862 428 L CB 0.488 42.579 42.059 0.054 0.000 1.113 428 L HN 0.606 nan 8.230 nan 0.000 0.510 429 G N 3.792 112.652 108.800 0.099 0.000 2.416 429 G HA2 0.477 4.437 3.960 -0.000 0.000 0.329 429 G HA3 0.477 4.437 3.960 -0.000 0.000 0.329 429 G C -1.078 173.884 174.900 0.103 0.000 1.173 429 G CA -0.806 44.363 45.100 0.115 0.000 0.929 429 G HN 0.602 nan 8.290 nan 0.000 0.475 430 K N 0.418 120.883 120.400 0.108 0.000 2.238 430 K HA 0.568 4.888 4.320 -0.000 0.000 0.239 430 K C -1.178 175.482 176.600 0.101 0.000 0.987 430 K CA -1.045 55.296 56.287 0.089 0.000 0.857 430 K CB 2.478 35.023 32.500 0.076 0.000 1.154 430 K HN 0.370 nan 8.250 nan 0.000 0.439 431 L N 1.230 122.492 121.223 0.066 0.000 2.489 431 L HA 0.236 4.576 4.340 -0.000 0.000 0.257 431 L C -1.333 175.556 176.870 0.031 0.000 1.215 431 L CA -0.726 54.143 54.840 0.050 0.000 0.915 431 L CB 0.696 42.769 42.059 0.022 0.000 1.146 431 L HN 0.227 nan 8.230 nan 0.000 0.494 432 V N 4.605 124.539 119.914 0.034 0.000 2.450 432 V HA 0.241 4.361 4.120 -0.000 0.000 0.281 432 V C -1.716 174.388 176.094 0.017 0.000 1.019 432 V CA -0.907 61.406 62.300 0.023 0.000 1.062 432 V CB -0.210 31.615 31.823 0.004 0.000 0.979 432 V HN 0.600 nan 8.190 nan 0.000 0.477 433 P HA 0.073 nan 4.420 nan 0.000 0.266 433 P C 0.752 178.067 177.300 0.026 0.000 1.195 433 P CA -0.193 62.920 63.100 0.022 0.000 0.768 433 P CB 0.536 32.249 31.700 0.022 0.000 0.838 434 L N 1.913 123.155 121.223 0.032 0.000 2.478 434 L HA 0.068 4.407 4.340 -0.000 0.000 0.223 434 L C 1.603 178.478 176.870 0.008 0.000 1.140 434 L CA 1.103 55.955 54.840 0.019 0.000 0.842 434 L CB -0.675 41.406 42.059 0.037 0.000 0.953 434 L HN 0.120 nan 8.230 nan 0.000 0.452 435 K N 0.718 121.134 120.400 0.027 0.000 2.032 435 K HA -0.162 4.158 4.320 -0.000 0.000 0.209 435 K C 1.977 178.594 176.600 0.028 0.000 1.048 435 K CA 2.097 58.400 56.287 0.027 0.000 0.927 435 K CB -0.211 32.309 32.500 0.034 0.000 0.712 435 K HN 0.556 nan 8.250 nan 0.000 0.441 436 E N 0.255 120.476 120.200 0.034 0.000 2.031 436 E HA -0.151 4.199 4.350 -0.000 0.000 0.193 436 E C 2.163 178.795 176.600 0.053 0.000 0.994 436 E CA 1.613 58.043 56.400 0.049 0.000 0.800 436 E CB -0.476 29.255 29.700 0.052 0.000 0.752 436 E HN 0.313 nan 8.360 nan 0.000 0.447 437 T N 2.417 116.987 114.554 0.027 0.000 2.685 437 T HA -0.181 4.169 4.350 -0.000 0.000 0.268 437 T C 2.119 176.889 174.700 0.116 0.000 1.034 437 T CA 1.293 63.410 62.100 0.028 0.000 1.149 437 T CB -0.301 68.575 68.868 0.014 0.000 0.860 437 T HN 0.136 nan 8.240 nan 0.000 0.449 438 I N 1.560 122.148 120.570 0.030 0.000 2.202 438 I HA -0.199 3.971 4.170 -0.000 0.000 0.242 438 I C 2.722 178.894 176.117 0.093 0.000 1.091 438 I CA 1.546 62.857 61.300 0.017 0.000 1.368 438 I CB -0.523 37.425 38.000 -0.088 0.000 1.058 438 I HN 0.376 nan 8.210 nan 0.000 0.410 439 K N 1.754 122.200 120.400 0.077 0.000 2.026 439 K HA -0.117 4.203 4.320 -0.000 0.000 0.208 439 K C 2.188 178.857 176.600 0.115 0.000 1.048 439 K CA 1.735 58.074 56.287 0.087 0.000 0.929 439 K CB -0.941 31.601 32.500 0.069 0.000 0.713 439 K HN 0.248 nan 8.250 nan 0.000 0.439 440 G N 0.714 109.587 108.800 0.121 0.000 2.547 440 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.221 440 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.221 440 G C 1.234 176.174 174.900 0.067 0.000 1.140 440 G CA 1.189 46.366 45.100 0.128 0.000 0.760 440 G HN 0.380 nan 8.290 nan 0.000 0.583 441 F N -0.107 119.956 119.950 0.188 0.000 2.335 441 F HA 0.127 4.654 4.527 -0.000 0.000 0.296 441 F C 2.877 178.704 175.800 0.045 0.000 1.091 441 F CA 1.024 59.081 58.000 0.095 0.000 1.399 441 F CB 0.000 38.999 39.000 -0.002 0.000 1.067 441 F HN 0.124 nan 8.300 nan 0.000 0.520 442 Q N 0.184 120.108 119.800 0.207 0.000 2.291 442 Q HA -0.193 4.147 4.340 -0.000 0.000 0.205 442 Q C 1.876 177.941 176.000 0.108 0.000 0.970 442 Q CA 1.154 57.030 55.803 0.123 0.000 0.876 442 Q CB 0.092 28.882 28.738 0.087 0.000 0.935 442 Q HN 0.534 nan 8.270 nan 0.000 0.455 443 Q N -0.382 119.496 119.800 0.130 0.000 2.165 443 Q HA 0.001 4.341 4.340 -0.000 0.000 0.197 443 Q C 1.864 177.974 176.000 0.182 0.000 0.952 443 Q CA 0.704 56.598 55.803 0.152 0.000 0.848 443 Q CB 0.226 29.119 28.738 0.258 0.000 0.931 443 Q HN 0.458 nan 8.270 nan 0.000 0.470 444 I N 0.788 121.436 120.570 0.130 0.000 3.334 444 I HA -0.135 4.035 4.170 -0.000 0.000 0.282 444 I C 1.572 177.737 176.117 0.080 0.000 1.313 444 I CA 0.636 61.974 61.300 0.062 0.000 1.396 444 I CB -0.106 37.789 38.000 -0.175 0.000 1.054 444 I HN 0.117 nan 8.210 nan 0.000 0.495 445 L N 0.407 121.688 121.223 0.096 0.000 2.408 445 L HA 0.172 4.512 4.340 -0.000 0.000 0.215 445 L C 2.775 179.679 176.870 0.057 0.000 1.081 445 L CA 0.540 55.423 54.840 0.072 0.000 0.840 445 L CB -0.371 41.728 42.059 0.067 0.000 1.002 445 L HN 0.151 nan 8.230 nan 0.000 0.468 446 A N 0.304 123.160 122.820 0.059 0.000 1.917 446 A HA -0.046 4.274 4.320 -0.000 0.000 0.219 446 A C 1.904 179.507 177.584 0.032 0.000 1.182 446 A CA 1.799 53.858 52.037 0.037 0.000 0.633 446 A CB -0.868 18.146 19.000 0.023 0.000 0.819 446 A HN 0.558 nan 8.150 nan 0.000 0.448 447 G N -1.860 106.969 108.800 0.049 0.000 2.138 447 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.193 447 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.193 447 G C 0.281 175.205 174.900 0.040 0.000 0.998 447 G CA 0.520 45.650 45.100 0.050 0.000 0.668 447 G HN 0.516 nan 8.290 nan 0.000 0.516 448 E N -0.685 119.523 120.200 0.013 0.000 2.403 448 E HA 0.324 4.674 4.350 -0.000 0.000 0.187 448 E C 0.298 176.705 176.600 -0.322 0.000 1.073 448 E CA 0.087 56.401 56.400 -0.144 0.000 0.888 448 E CB 0.080 29.662 29.700 -0.197 0.000 1.035 448 E HN 0.731 nan 8.360 nan 0.000 0.471 449 Y N -2.087 118.260 120.300 0.078 0.000 3.049 449 Y HA 0.030 4.580 4.550 -0.000 0.000 0.300 449 Y C 0.675 176.590 175.900 0.025 0.000 0.984 449 Y CA -0.576 57.557 58.100 0.054 0.000 1.254 449 Y CB 0.544 39.053 38.460 0.080 0.000 1.406 449 Y HN -0.030 nan 8.280 nan 0.000 0.585 450 D N 0.458 120.975 120.400 0.195 0.000 2.280 450 D HA -0.230 4.410 4.640 -0.000 0.000 0.206 450 D C 1.966 178.343 176.300 0.128 0.000 0.988 450 D CA 2.015 56.101 54.000 0.144 0.000 0.886 450 D CB -0.207 40.658 40.800 0.109 0.000 0.914 450 D HN 0.670 nan 8.370 nan 0.000 0.473 451 H N -0.410 118.719 119.070 0.098 0.000 2.465 451 H HA 0.108 4.664 4.556 -0.000 0.000 0.289 451 H C 1.153 176.512 175.328 0.052 0.000 1.022 451 H CA -0.145 55.938 56.048 0.058 0.000 1.340 451 H CB -0.389 29.394 29.762 0.034 0.000 1.437 451 H HN 0.107 nan 8.280 nan 0.000 0.539 452 L N 2.574 123.417 121.223 -0.634 0.000 2.482 452 L HA 0.104 4.444 4.340 -0.000 0.000 0.273 452 L C -1.856 174.854 176.870 -0.265 0.000 1.228 452 L CA -1.635 52.920 54.840 -0.476 0.000 0.827 452 L CB 0.320 42.119 42.059 -0.433 0.000 1.099 452 L HN 0.192 nan 8.230 nan 0.000 0.494 453 P HA 0.097 nan 4.420 nan 0.000 0.274 453 P C 0.100 177.227 177.300 -0.289 0.000 1.237 453 P CA -0.420 62.548 63.100 -0.220 0.000 0.793 453 P CB 0.805 32.389 31.700 -0.193 0.000 0.977 454 E N 1.016 121.141 120.200 -0.125 0.000 1.993 454 E HA -0.190 4.160 4.350 -0.000 0.000 0.198 454 E C 0.646 177.202 176.600 -0.073 0.000 0.999 454 E CA 1.037 57.420 56.400 -0.027 0.000 0.850 454 E CB -0.148 29.570 29.700 0.029 0.000 0.796 454 E HN 0.441 nan 8.360 nan 0.000 0.482 455 Q N -0.246 119.525 119.800 -0.048 0.000 2.383 455 Q HA 0.021 4.361 4.340 -0.000 0.000 0.210 455 Q C 0.259 176.207 176.000 -0.087 0.000 0.891 455 Q CA 0.109 55.901 55.803 -0.018 0.000 0.985 455 Q CB 0.471 29.167 28.738 -0.070 0.000 1.409 455 Q HN 0.239 nan 8.270 nan 0.000 0.391 456 A N -0.958 121.711 122.820 -0.252 0.000 2.324 456 A HA 0.200 4.520 4.320 -0.000 0.000 0.220 456 A C 1.098 178.502 177.584 -0.300 0.000 1.209 456 A CA -0.224 51.617 52.037 -0.326 0.000 0.918 456 A CB 0.200 18.886 19.000 -0.524 0.000 0.959 456 A HN 0.403 nan 8.150 nan 0.000 0.507 457 F N -2.124 117.802 119.950 -0.040 0.000 2.749 457 F HA 0.206 4.733 4.527 -0.000 0.000 0.300 457 F C 0.650 176.484 175.800 0.058 0.000 1.103 457 F CA -0.478 57.480 58.000 -0.071 0.000 1.342 457 F CB 0.136 39.075 39.000 -0.100 0.000 1.098 457 F HN 0.253 nan 8.300 nan 0.000 0.586 458 Y N 2.601 122.969 120.300 0.114 0.000 2.569 458 Y HA 0.115 4.665 4.550 -0.000 0.000 0.332 458 Y C 0.520 176.448 175.900 0.046 0.000 1.120 458 Y CA -0.705 57.435 58.100 0.066 0.000 1.416 458 Y CB 0.147 38.617 38.460 0.018 0.000 1.210 458 Y HN 0.019 nan 8.280 nan 0.000 0.528 459 M N 5.346 124.850 119.600 -0.161 0.000 3.409 459 M HA -0.145 4.335 4.480 -0.000 0.000 0.169 459 M C -1.608 174.713 176.300 0.035 0.000 1.372 459 M CA 0.749 55.983 55.300 -0.109 0.000 0.890 459 M CB -2.530 30.025 32.600 -0.074 0.000 1.283 459 M HN 0.445 nan 8.290 nan 0.000 0.603 460 V N -1.763 118.189 119.914 0.065 0.000 3.167 460 V HA 0.938 5.058 4.120 -0.000 0.000 0.293 460 V C 0.724 176.902 176.094 0.141 0.000 1.379 460 V CA -0.523 61.842 62.300 0.108 0.000 1.019 460 V CB 1.259 33.151 31.823 0.116 0.000 1.115 460 V HN 0.640 nan 8.190 nan 0.000 0.442 461 G N 1.533 110.402 108.800 0.115 0.000 2.622 461 G HA2 0.313 4.273 3.960 -0.000 0.000 0.156 461 G HA3 0.313 4.273 3.960 -0.000 0.000 0.156 461 G C -2.188 172.834 174.900 0.203 0.000 1.775 461 G CA 0.055 45.222 45.100 0.112 0.000 0.928 461 G HN 0.696 nan 8.290 nan 0.000 0.384 462 P HA 0.120 nan 4.420 nan 0.000 0.273 462 P C 0.930 178.319 177.300 0.148 0.000 1.250 462 P CA -0.624 62.575 63.100 0.165 0.000 0.793 462 P CB 0.615 32.366 31.700 0.085 0.000 1.011 463 I N 0.853 121.469 120.570 0.077 0.000 2.361 463 I HA -0.247 3.923 4.170 -0.000 0.000 0.251 463 I C 1.511 177.503 176.117 -0.209 0.000 1.133 463 I CA 1.827 62.948 61.300 -0.300 0.000 1.413 463 I CB -0.871 36.967 38.000 -0.270 0.000 1.073 463 I HN 0.295 nan 8.210 nan 0.000 0.424 464 E N 0.554 120.724 120.200 -0.049 0.000 2.031 464 E HA -0.219 4.131 4.350 -0.000 0.000 0.193 464 E C 2.065 178.650 176.600 -0.024 0.000 0.994 464 E CA 1.613 58.006 56.400 -0.012 0.000 0.800 464 E CB -0.454 29.260 29.700 0.023 0.000 0.752 464 E HN 0.539 nan 8.360 nan 0.000 0.447 465 E N 0.311 120.507 120.200 -0.007 0.000 2.233 465 E HA -0.269 4.081 4.350 -0.000 0.000 0.199 465 E C 1.864 178.446 176.600 -0.030 0.000 1.004 465 E CA 1.091 57.492 56.400 0.001 0.000 0.819 465 E CB -0.191 29.530 29.700 0.034 0.000 0.738 465 E HN 0.326 nan 8.360 nan 0.000 0.478 466 A N 0.494 123.265 122.820 -0.081 0.000 1.943 466 A HA 0.001 4.321 4.320 -0.000 0.000 0.213 466 A C 2.424 179.907 177.584 -0.167 0.000 1.181 466 A CA 0.250 52.214 52.037 -0.123 0.000 0.653 466 A CB -0.231 18.705 19.000 -0.107 0.000 0.833 466 A HN 0.077 nan 8.150 nan 0.000 0.451 467 V N 0.336 120.175 119.914 -0.126 0.000 2.231 467 V HA -0.311 3.808 4.120 -0.000 0.000 0.248 467 V C 2.880 178.952 176.094 -0.036 0.000 1.054 467 V CA 2.187 64.465 62.300 -0.036 0.000 1.015 467 V CB -1.065 30.802 31.823 0.073 0.000 0.638 467 V HN 0.573 nan 8.190 nan 0.000 0.444 468 A N -1.303 121.503 122.820 -0.024 0.000 2.248 468 A HA -0.126 4.194 4.320 -0.000 0.000 0.210 468 A C 2.064 179.628 177.584 -0.034 0.000 1.174 468 A CA 1.082 53.109 52.037 -0.017 0.000 0.750 468 A CB -0.456 18.542 19.000 -0.003 0.000 0.780 468 A HN 0.493 nan 8.150 nan 0.000 0.478 469 K N -0.631 119.730 120.400 -0.066 0.000 2.387 469 K HA 0.351 4.670 4.320 -0.000 0.000 0.198 469 K C 1.130 177.668 176.600 -0.103 0.000 1.022 469 K CA 0.609 56.851 56.287 -0.074 0.000 1.128 469 K CB 0.029 32.482 32.500 -0.078 0.000 0.853 469 K HN 0.388 nan 8.250 nan 0.000 0.523 470 A N 0.156 122.917 122.820 -0.100 0.000 2.259 470 A HA 0.068 4.388 4.320 -0.000 0.000 0.213 470 A C 0.997 178.555 177.584 -0.043 0.000 1.209 470 A CA 0.118 52.100 52.037 -0.091 0.000 0.910 470 A CB 0.235 19.168 19.000 -0.111 0.000 0.946 470 A HN 0.159 nan 8.150 nan 0.000 0.497 471 D N 0.398 120.781 120.400 -0.028 0.000 2.224 471 D HA -0.034 4.606 4.640 -0.000 0.000 0.205 471 D C 1.002 177.291 176.300 -0.018 0.000 0.965 471 D CA 0.888 54.880 54.000 -0.013 0.000 0.852 471 D CB 0.131 40.929 40.800 -0.005 0.000 0.947 471 D HN 0.089 nan 8.370 nan 0.000 0.494 472 K N 0.172 120.557 120.400 -0.026 0.000 2.437 472 K HA 0.249 4.569 4.320 -0.000 0.000 0.205 472 K C 0.155 176.735 176.600 -0.032 0.000 1.026 472 K CA -0.153 56.119 56.287 -0.025 0.000 1.153 472 K CB 0.492 32.978 32.500 -0.023 0.000 0.863 472 K HN 0.179 nan 8.250 nan 0.000 0.502 473 L N 1.425 122.624 121.223 -0.039 0.000 2.494 473 L HA 0.451 4.791 4.340 -0.000 0.000 0.251 473 L C -0.187 176.664 176.870 -0.032 0.000 1.119 473 L CA -0.528 54.286 54.840 -0.043 0.000 1.026 473 L CB 0.446 42.465 42.059 -0.065 0.000 1.370 473 L HN 0.005 nan 8.230 nan 0.000 0.426 474 A N 0.000 122.805 122.820 -0.025 0.000 2.254 474 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 474 A CA 0.000 52.026 52.037 -0.018 0.000 0.836 474 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 474 A HN 0.000 nan 8.150 nan 0.000 0.486