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 2w6h_1_D DATA FIRST_RESID 9 DATA SEQUENCE TTGRIVAVIG AVVDVQFDEG LPPILNALEV QGRETRLVLE VAQHLGESTV DATA SEQUENCE RTIAMDGTEG LVRGQKVLDS GAPIRIPVGP ETLGRIMNVI GEPIDERGPI DATA SEQUENCE KTKQFAAIHA EAPEFVEMSV EQEILVTGIK VVDLLAPYAK GGKIGLFGGA DATA SEQUENCE GVGKTVLIME LINNVAKAHG GYSVFAGVGE RTREGNDLYH EMIESGVINL DATA SEQUENCE KDATSKVALV YGQMNEPPGA RARVALTGLT VAEYFRDQEG QDVLLFIDNI DATA SEQUENCE FRFTQAGSEV SALLGRIPSA VGYQPTLATD MGTMQERITT TKKGSITSVQ DATA SEQUENCE AIYVPADDLT DPAPATTFAH LDATTVLSRA IAELGIYPAV DPLDSTSRIM DATA SEQUENCE DPNIVGSEHY DVARGVQKIL QDYKSLQDII AILGMDELSE EDKLTVSRAR DATA SEQUENCE KIQRFLSQPF QVAEVFTGHL GKLVPLKETI KGFQQILAGE YDHLPEQAFY DATA SEQUENCE MVGPIEEAVA KADKLAE VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 T HA 0.000 nan 4.350 nan 0.000 0.228 9 T C 0.000 174.862 174.700 0.269 0.000 1.109 9 T CA 0.000 62.177 62.100 0.129 0.000 1.349 9 T CB 0.000 68.901 68.868 0.055 0.000 0.612 10 T N 1.287 116.024 114.554 0.306 0.000 2.840 10 T HA 0.770 5.120 4.350 0.000 0.000 0.287 10 T C 0.414 175.082 174.700 -0.054 0.000 0.991 10 T CA -0.430 61.769 62.100 0.166 0.000 0.964 10 T CB 1.416 70.314 68.868 0.050 0.000 0.954 10 T HN 1.139 nan 8.240 nan 0.000 0.438 11 G N 1.986 110.429 108.800 -0.595 0.000 2.667 11 G HA2 0.788 4.748 3.960 0.000 0.000 0.310 11 G HA3 0.788 4.748 3.960 0.000 0.000 0.310 11 G C -0.916 173.647 174.900 -0.562 0.000 1.259 11 G CA -1.022 43.341 45.100 -1.230 0.000 1.019 11 G HN 0.613 nan 8.290 nan 0.000 0.496 12 R N -1.032 119.206 120.500 -0.438 0.000 2.803 12 R HA 0.462 4.802 4.340 0.000 0.000 0.276 12 R C -0.624 175.556 176.300 -0.199 0.000 0.978 12 R CA -0.858 55.100 56.100 -0.237 0.000 0.939 12 R CB 2.436 32.642 30.300 -0.157 0.000 1.179 12 R HN 0.343 nan 8.270 nan 0.000 0.472 13 I N 2.388 122.881 120.570 -0.128 0.000 2.441 13 I HA -0.005 4.165 4.170 0.000 0.000 0.287 13 I C 1.417 177.491 176.117 -0.071 0.000 1.049 13 I CA -0.035 61.211 61.300 -0.090 0.000 1.381 13 I CB 1.383 39.347 38.000 -0.061 0.000 1.409 13 I HN 0.561 nan 8.210 nan 0.000 0.523 14 V N 2.973 122.852 119.914 -0.058 0.000 3.570 14 V HA 0.571 4.691 4.120 0.000 0.000 0.257 14 V C 0.554 176.630 176.094 -0.029 0.000 1.272 14 V CA 0.331 62.605 62.300 -0.044 0.000 1.079 14 V CB 0.338 32.136 31.823 -0.042 0.000 0.829 14 V HN 0.701 nan 8.190 nan 0.000 0.454 15 A N -0.050 122.755 122.820 -0.024 0.000 2.517 15 A HA 0.805 5.125 4.320 0.000 0.000 0.297 15 A C -1.233 176.343 177.584 -0.013 0.000 1.050 15 A CA -0.374 51.653 52.037 -0.016 0.000 0.694 15 A CB 2.178 21.171 19.000 -0.011 0.000 1.277 15 A HN 0.562 nan 8.150 nan 0.000 0.400 16 V N 2.568 122.476 119.914 -0.011 0.000 2.483 16 V HA 0.580 4.700 4.120 0.000 0.000 0.297 16 V C -0.659 175.432 176.094 -0.006 0.000 1.027 16 V CA -0.127 62.169 62.300 -0.008 0.000 0.855 16 V CB 1.349 33.167 31.823 -0.009 0.000 0.995 16 V HN 0.726 nan 8.190 nan 0.000 0.424 17 I N 4.415 124.982 120.570 -0.004 0.000 2.595 17 I HA 0.584 4.754 4.170 0.000 0.000 0.276 17 I C 0.806 176.920 176.117 -0.004 0.000 1.109 17 I CA 0.029 61.327 61.300 -0.004 0.000 1.084 17 I CB 1.329 39.327 38.000 -0.004 0.000 1.206 17 I HN 0.906 nan 8.210 nan 0.000 0.486 18 G N 4.133 112.930 108.800 -0.004 0.000 2.528 18 G HA2 -0.297 3.663 3.960 0.000 0.000 0.262 18 G HA3 -0.297 3.663 3.960 0.000 0.000 0.262 18 G C 0.797 175.696 174.900 -0.002 0.000 1.200 18 G CA 0.313 45.411 45.100 -0.004 0.000 0.951 18 G HN 0.805 nan 8.290 nan 0.000 0.566 19 A N -0.758 122.060 122.820 -0.003 0.000 2.239 19 A HA 0.513 4.833 4.320 0.000 0.000 0.209 19 A C 1.090 178.675 177.584 0.003 0.000 1.171 19 A CA 1.830 53.867 52.037 -0.001 0.000 0.768 19 A CB -0.155 18.843 19.000 -0.004 0.000 0.790 19 A HN 1.533 nan 8.150 nan 0.000 0.478 20 V N 0.811 120.726 119.914 0.002 0.000 2.394 20 V HA 0.419 4.539 4.120 0.000 0.000 0.282 20 V C -0.501 175.597 176.094 0.006 0.000 1.031 20 V CA -0.440 61.863 62.300 0.005 0.000 0.881 20 V CB 1.380 33.205 31.823 0.003 0.000 0.982 20 V HN 0.068 nan 8.190 nan 0.000 0.451 21 V N 3.787 123.708 119.914 0.011 0.000 2.588 21 V HA 0.479 4.599 4.120 0.000 0.000 0.304 21 V C -0.769 175.333 176.094 0.013 0.000 1.042 21 V CA -0.777 61.528 62.300 0.007 0.000 0.877 21 V CB 2.128 33.954 31.823 0.006 0.000 0.996 21 V HN 0.791 nan 8.190 nan 0.000 0.425 22 D N 2.877 123.280 120.400 0.004 0.000 2.177 22 D HA 0.606 5.246 4.640 0.000 0.000 0.247 22 D C -0.591 175.702 176.300 -0.012 0.000 1.063 22 D CA -0.021 53.984 54.000 0.008 0.000 0.867 22 D CB 2.380 43.183 40.800 0.004 0.000 1.168 22 D HN 0.262 nan 8.370 nan 0.000 0.445 23 V N 2.151 122.063 119.914 -0.002 0.000 2.735 23 V HA 0.302 4.422 4.120 0.000 0.000 0.310 23 V C -0.165 175.880 176.094 -0.081 0.000 1.061 23 V CA -0.851 61.403 62.300 -0.078 0.000 0.913 23 V CB 2.172 33.943 31.823 -0.087 0.000 1.005 23 V HN 0.385 nan 8.190 nan 0.000 0.428 24 Q N 2.674 122.364 119.800 -0.183 0.000 2.347 24 Q HA 0.545 4.885 4.340 0.000 0.000 0.262 24 Q C -1.758 174.100 176.000 -0.238 0.000 0.980 24 Q CA -0.410 55.319 55.803 -0.124 0.000 0.867 24 Q CB 1.246 29.932 28.738 -0.087 0.000 1.242 24 Q HN 0.650 nan 8.270 nan 0.000 0.453 25 F N 1.928 121.851 119.950 -0.045 0.000 2.399 25 F HA 0.208 4.735 4.527 -0.000 0.000 0.334 25 F C 1.134 176.911 175.800 -0.038 0.000 1.097 25 F CA -0.342 57.634 58.000 -0.040 0.000 1.076 25 F CB 1.348 40.319 39.000 -0.048 0.000 1.162 25 F HN 0.592 nan 8.300 nan 0.000 0.495 26 D N 1.243 121.719 120.400 0.127 0.000 2.162 26 D HA -0.037 4.603 4.640 0.000 0.000 0.205 26 D C 0.011 176.353 176.300 0.070 0.000 0.964 26 D CA 1.122 55.161 54.000 0.065 0.000 0.847 26 D CB 0.238 41.058 40.800 0.034 0.000 0.988 26 D HN 0.661 nan 8.370 nan 0.000 0.480 27 E N -0.725 119.532 120.200 0.095 0.000 2.293 27 E HA 0.534 4.884 4.350 0.000 0.000 0.270 27 E C -0.165 176.463 176.600 0.047 0.000 0.879 27 E CA -1.241 55.192 56.400 0.054 0.000 0.756 27 E CB 2.075 31.798 29.700 0.039 0.000 1.208 27 E HN 0.000 nan 8.360 nan 0.000 0.428 28 G N 1.877 110.671 108.800 -0.011 0.000 2.686 28 G HA2 -0.206 3.754 3.960 0.000 0.000 0.211 28 G HA3 -0.206 3.754 3.960 0.000 0.000 0.211 28 G C -0.862 173.909 174.900 -0.215 0.000 0.829 28 G CA -0.432 44.620 45.100 -0.080 0.000 0.993 28 G HN 0.372 nan 8.290 nan 0.000 0.330 29 L N 5.871 126.961 121.223 -0.221 0.000 2.278 29 L HA 0.489 4.829 4.340 0.000 0.000 0.287 29 L C -1.207 175.465 176.870 -0.330 0.000 1.072 29 L CA -1.907 52.725 54.840 -0.346 0.000 0.819 29 L CB 0.769 42.663 42.059 -0.275 0.000 1.176 29 L HN 0.398 nan 8.230 nan 0.000 0.435 30 P HA 0.154 nan 4.420 nan 0.000 0.267 30 P C -2.628 174.669 177.300 -0.004 0.000 1.205 30 P CA -1.069 61.863 63.100 -0.280 0.000 0.765 30 P CB -0.184 31.303 31.700 -0.355 0.000 0.828 31 P HA 0.124 nan 4.420 nan 0.000 0.271 31 P C 0.480 177.771 177.300 -0.015 0.000 1.233 31 P CA -0.054 63.061 63.100 0.024 0.000 0.789 31 P CB 0.585 32.264 31.700 -0.035 0.000 0.951 32 I N 1.833 122.317 120.570 -0.143 0.000 2.692 32 I HA -0.077 4.093 4.170 0.000 0.000 0.284 32 I C 1.551 177.593 176.117 -0.124 0.000 1.159 32 I CA 0.540 61.753 61.300 -0.144 0.000 1.423 32 I CB -0.220 37.646 38.000 -0.224 0.000 1.380 32 I HN 0.425 nan 8.210 nan 0.000 0.580 33 L N 1.956 123.108 121.223 -0.119 0.000 3.271 33 L HA -0.238 4.102 4.340 0.000 0.000 0.429 33 L C 0.309 177.145 176.870 -0.057 0.000 0.724 33 L CA 0.141 54.879 54.840 -0.171 0.000 2.742 33 L CB -1.450 40.417 42.059 -0.320 0.000 0.986 33 L HN 0.668 nan 8.230 nan 0.000 0.656 34 N N 1.181 119.863 118.700 -0.030 0.000 2.441 34 N HA 0.429 5.169 4.740 0.000 0.000 0.251 34 N C 0.208 175.735 175.510 0.028 0.000 1.242 34 N CA 1.061 54.110 53.050 -0.001 0.000 0.898 34 N CB 0.790 39.265 38.487 -0.020 0.000 1.100 34 N HN 0.335 nan 8.380 nan 0.000 0.443 35 A N 2.385 125.228 122.820 0.038 0.000 2.305 35 A HA 0.651 4.971 4.320 0.000 0.000 0.322 35 A C -0.569 177.047 177.584 0.053 0.000 1.187 35 A CA -0.617 51.452 52.037 0.052 0.000 0.825 35 A CB 0.318 19.349 19.000 0.052 0.000 1.164 35 A HN 0.599 nan 8.150 nan 0.000 0.498 36 L N 1.734 123.000 121.223 0.072 0.000 2.342 36 L HA 0.562 4.902 4.340 0.000 0.000 0.271 36 L C -0.304 176.607 176.870 0.068 0.000 1.008 36 L CA -0.772 54.124 54.840 0.095 0.000 0.818 36 L CB 1.821 43.972 42.059 0.154 0.000 1.296 36 L HN 0.655 nan 8.230 nan 0.000 0.427 37 E N 2.003 122.238 120.200 0.059 0.000 2.171 37 E HA 0.360 4.710 4.350 0.000 0.000 0.271 37 E C -0.960 175.657 176.600 0.029 0.000 0.916 37 E CA -0.775 55.647 56.400 0.036 0.000 0.774 37 E CB 3.005 32.719 29.700 0.024 0.000 1.128 37 E HN 0.198 nan 8.360 nan 0.000 0.403 38 V N 3.967 123.891 119.914 0.018 0.000 2.508 38 V HA -0.021 4.099 4.120 0.000 0.000 0.281 38 V C 0.591 176.686 176.094 0.001 0.000 1.041 38 V CA -0.257 62.046 62.300 0.005 0.000 1.016 38 V CB 0.785 32.608 31.823 0.001 0.000 0.984 38 V HN 0.513 nan 8.190 nan 0.000 0.478 39 Q N 2.741 122.537 119.800 -0.006 0.000 2.306 39 Q HA 0.424 4.764 4.340 0.000 0.000 0.241 39 Q C 1.101 177.096 176.000 -0.009 0.000 0.948 39 Q CA 0.439 56.238 55.803 -0.006 0.000 0.886 39 Q CB 1.189 29.922 28.738 -0.009 0.000 1.227 39 Q HN 1.140 nan 8.270 nan 0.000 0.457 40 G N 1.647 110.443 108.800 -0.007 0.000 2.171 40 G HA2 -0.251 3.709 3.960 0.000 0.000 0.238 40 G HA3 -0.251 3.709 3.960 0.000 0.000 0.238 40 G C -0.149 174.748 174.900 -0.005 0.000 1.039 40 G CA -0.059 45.037 45.100 -0.007 0.000 0.759 40 G HN 0.423 nan 8.290 nan 0.000 0.501 41 R N -0.661 119.837 120.500 -0.003 0.000 2.621 41 R HA 0.387 4.727 4.340 0.000 0.000 0.292 41 R C 0.750 177.050 176.300 -0.001 0.000 0.969 41 R CA -0.996 55.102 56.100 -0.002 0.000 0.887 41 R CB 1.162 31.462 30.300 -0.001 0.000 1.180 41 R HN 0.030 nan 8.270 nan 0.000 0.450 42 E N 0.712 120.912 120.200 -0.000 0.000 2.130 42 E HA -0.118 4.233 4.350 0.000 0.000 0.196 42 E C 0.669 177.270 176.600 0.001 0.000 0.998 42 E CA 1.573 57.974 56.400 0.000 0.000 0.806 42 E CB 0.082 29.782 29.700 0.000 0.000 0.738 42 E HN 0.679 nan 8.360 nan 0.000 0.459 43 T N -2.181 112.374 114.554 0.002 0.000 2.924 43 T HA 0.475 4.825 4.350 0.000 0.000 0.291 43 T C 0.062 174.765 174.700 0.005 0.000 1.045 43 T CA -0.985 61.117 62.100 0.004 0.000 1.015 43 T CB 2.350 71.220 68.868 0.004 0.000 1.103 43 T HN -0.099 nan 8.240 nan 0.000 0.496 44 R N 1.233 121.737 120.500 0.007 0.000 2.399 44 R HA 0.307 4.647 4.340 0.000 0.000 0.324 44 R C -0.992 175.315 176.300 0.011 0.000 1.030 44 R CA -0.549 55.556 56.100 0.008 0.000 0.984 44 R CB -0.261 30.045 30.300 0.009 0.000 0.961 44 R HN 0.536 nan 8.270 nan 0.000 0.433 45 L N 6.350 127.580 121.223 0.011 0.000 2.280 45 L HA 0.352 4.692 4.340 0.000 0.000 0.287 45 L C -1.185 175.697 176.870 0.020 0.000 1.023 45 L CA -0.494 54.355 54.840 0.014 0.000 0.819 45 L CB 1.778 43.843 42.059 0.011 0.000 1.212 45 L HN 0.334 nan 8.230 nan 0.000 0.420 46 V N 6.338 126.266 119.914 0.025 0.000 2.472 46 V HA 0.477 4.597 4.120 0.000 0.000 0.290 46 V C -0.022 176.095 176.094 0.038 0.000 1.037 46 V CA -0.623 61.696 62.300 0.033 0.000 0.908 46 V CB 1.672 33.516 31.823 0.034 0.000 0.985 46 V HN 0.577 nan 8.190 nan 0.000 0.454 47 L N 3.939 125.190 121.223 0.047 0.000 2.305 47 L HA 0.575 4.915 4.340 0.000 0.000 0.284 47 L C 0.029 176.936 176.870 0.062 0.000 1.013 47 L CA -0.307 54.564 54.840 0.051 0.000 0.819 47 L CB 1.730 43.823 42.059 0.056 0.000 1.227 47 L HN 0.652 nan 8.230 nan 0.000 0.417 48 E N 2.523 122.759 120.200 0.060 0.000 2.200 48 E HA 0.304 4.654 4.350 0.000 0.000 0.283 48 E C -0.862 175.770 176.600 0.053 0.000 1.015 48 E CA -0.769 55.670 56.400 0.064 0.000 0.819 48 E CB 1.752 31.502 29.700 0.083 0.000 1.081 48 E HN 0.327 nan 8.360 nan 0.000 0.397 49 V N 4.293 124.236 119.914 0.050 0.000 2.529 49 V HA 0.034 4.154 4.120 0.000 0.000 0.292 49 V C 0.934 177.042 176.094 0.024 0.000 1.028 49 V CA 0.914 63.248 62.300 0.058 0.000 1.074 49 V CB 0.791 32.656 31.823 0.070 0.000 0.958 49 V HN 0.887 nan 8.190 nan 0.000 0.481 50 A N 4.285 127.127 122.820 0.037 0.000 2.013 50 A HA 0.334 4.654 4.320 0.000 0.000 0.204 50 A C 0.728 178.315 177.584 0.006 0.000 1.262 50 A CA 0.301 52.344 52.037 0.010 0.000 0.800 50 A CB 0.349 19.360 19.000 0.017 0.000 0.909 50 A HN 0.772 nan 8.150 nan 0.000 0.472 51 Q N -1.486 118.346 119.800 0.053 0.000 2.534 51 Q HA 0.361 4.702 4.340 0.000 0.000 0.290 51 Q C -1.658 174.463 176.000 0.202 0.000 0.991 51 Q CA -0.588 55.255 55.803 0.066 0.000 0.783 51 Q CB 1.773 30.541 28.738 0.050 0.000 1.470 51 Q HN 0.595 nan 8.270 nan 0.000 0.406 52 H N 1.813 120.885 119.070 0.003 0.000 2.661 52 H HA 0.241 4.797 4.556 -0.000 0.000 0.290 52 H C 0.536 175.871 175.328 0.011 0.000 1.082 52 H CA -0.235 55.818 56.048 0.009 0.000 1.234 52 H CB 0.770 30.532 29.762 -0.001 0.000 1.387 52 H HN 0.433 nan 8.280 nan 0.000 0.476 53 L N 2.712 123.996 121.223 0.102 0.000 2.291 53 L HA 0.112 4.452 4.340 0.000 0.000 0.214 53 L C 1.212 178.106 176.870 0.041 0.000 1.120 53 L CA 0.657 55.532 54.840 0.058 0.000 0.799 53 L CB -0.095 41.987 42.059 0.039 0.000 0.925 53 L HN 0.805 nan 8.230 nan 0.000 0.446 54 G N 0.019 108.836 108.800 0.028 0.000 2.629 54 G HA2 -0.123 3.837 3.960 0.000 0.000 0.686 54 G HA3 -0.123 3.837 3.960 0.000 0.000 0.686 54 G C 0.000 174.898 174.900 -0.004 0.000 1.232 54 G CA -0.362 44.745 45.100 0.011 0.000 0.803 54 G HN 0.282 nan 8.290 nan 0.000 0.638 55 E N -0.912 119.283 120.200 -0.008 0.000 2.759 55 E HA -0.211 4.139 4.350 0.000 0.000 0.280 55 E C 0.908 177.501 176.600 -0.010 0.000 1.009 55 E CA 0.974 57.370 56.400 -0.007 0.000 0.849 55 E CB -1.687 28.012 29.700 -0.002 0.000 1.415 55 E HN 2.159 nan 8.360 nan 0.000 0.412 56 S N -1.523 114.160 115.700 -0.028 0.000 3.631 56 S HA -0.217 4.253 4.470 0.000 0.000 0.366 56 S C -0.057 174.549 174.600 0.010 0.000 0.993 56 S CA 1.426 59.611 58.200 -0.025 0.000 1.167 56 S CB -1.117 62.089 63.200 0.010 0.000 0.909 56 S HN 0.398 nan 8.310 nan 0.000 0.478 57 T N 1.308 115.855 114.554 -0.012 0.000 2.881 57 T HA 0.624 4.974 4.350 0.000 0.000 0.290 57 T C 0.126 174.839 174.700 0.021 0.000 1.000 57 T CA -0.393 61.718 62.100 0.019 0.000 0.978 57 T CB 1.847 70.720 68.868 0.008 0.000 0.997 57 T HN 0.659 nan 8.240 nan 0.000 0.443 58 V N 1.628 121.587 119.914 0.076 0.000 2.628 58 V HA 0.771 4.891 4.120 0.000 0.000 0.306 58 V C -0.219 175.933 176.094 0.096 0.000 1.045 58 V CA -1.331 61.034 62.300 0.108 0.000 0.905 58 V CB 1.649 33.571 31.823 0.165 0.000 0.997 58 V HN 0.850 nan 8.190 nan 0.000 0.436 59 R N 2.590 123.144 120.500 0.091 0.000 2.312 59 R HA 0.743 5.083 4.340 0.000 0.000 0.311 59 R C -0.104 176.234 176.300 0.064 0.000 1.004 59 R CA 0.377 56.514 56.100 0.061 0.000 0.902 59 R CB 1.466 31.794 30.300 0.045 0.000 1.073 59 R HN 1.174 nan 8.270 nan 0.000 0.457 60 T N 2.090 116.675 114.554 0.052 0.000 2.901 60 T HA 0.509 4.859 4.350 0.000 0.000 0.293 60 T C 0.048 174.768 174.700 0.034 0.000 1.084 60 T CA -1.059 61.071 62.100 0.050 0.000 1.008 60 T CB 1.071 69.978 68.868 0.065 0.000 1.170 60 T HN 0.581 nan 8.240 nan 0.000 0.509 61 I N 0.391 120.981 120.570 0.033 0.000 2.339 61 I HA 0.771 4.941 4.170 0.000 0.000 0.290 61 I C 0.361 176.495 176.117 0.028 0.000 0.994 61 I CA -1.377 59.938 61.300 0.025 0.000 1.191 61 I CB 1.070 39.082 38.000 0.020 0.000 1.343 61 I HN 0.881 nan 8.210 nan 0.000 0.458 62 A N 7.041 129.874 122.820 0.021 0.000 2.477 62 A HA 0.369 4.689 4.320 0.000 0.000 0.246 62 A C 0.836 178.433 177.584 0.022 0.000 1.078 62 A CA -0.306 51.743 52.037 0.021 0.000 0.770 62 A CB 0.410 19.418 19.000 0.013 0.000 1.011 62 A HN 0.846 nan 8.150 nan 0.000 0.494 63 M N 1.182 120.797 119.600 0.025 0.000 2.563 63 M HA 0.194 4.674 4.480 0.000 0.000 0.231 63 M C -0.021 176.290 176.300 0.019 0.000 1.136 63 M CA 0.494 55.809 55.300 0.025 0.000 1.026 63 M CB -1.317 31.301 32.600 0.030 0.000 1.597 63 M HN 0.833 nan 8.290 nan 0.000 0.495 64 D N -1.435 118.974 120.400 0.015 0.000 2.865 64 D HA 0.387 5.027 4.640 0.000 0.000 0.343 64 D C -0.528 175.777 176.300 0.009 0.000 1.372 64 D CA -0.211 53.796 54.000 0.012 0.000 0.862 64 D CB 0.597 41.404 40.800 0.012 0.000 1.425 64 D HN 0.102 nan 8.370 nan 0.000 0.501 65 G N -0.686 108.118 108.800 0.007 0.000 2.391 65 G HA2 0.329 4.289 3.960 0.000 0.000 0.234 65 G HA3 0.329 4.289 3.960 0.000 0.000 0.234 65 G C 0.831 175.733 174.900 0.003 0.000 1.284 65 G CA 0.754 45.857 45.100 0.004 0.000 0.873 65 G HN 0.415 nan 8.290 nan 0.000 0.549 66 T N -0.945 113.610 114.554 0.002 0.000 3.105 66 T HA 0.210 4.560 4.350 0.000 0.000 0.253 66 T C 0.342 175.041 174.700 -0.002 0.000 1.047 66 T CA -0.290 61.810 62.100 0.000 0.000 0.944 66 T CB 0.097 68.964 68.868 -0.000 0.000 1.016 66 T HN 0.514 nan 8.240 nan 0.000 0.544 67 E N 1.548 121.748 120.200 -0.001 0.000 2.415 67 E HA 0.469 4.819 4.350 0.000 0.000 0.262 67 E C 1.434 178.032 176.600 -0.003 0.000 1.038 67 E CA 0.499 56.898 56.400 -0.002 0.000 0.921 67 E CB -0.365 29.335 29.700 -0.001 0.000 0.950 67 E HN 0.272 nan 8.360 nan 0.000 0.438 68 G N 1.334 110.131 108.800 -0.004 0.000 2.184 68 G HA2 -0.317 3.643 3.960 0.000 0.000 0.264 68 G HA3 -0.317 3.643 3.960 0.000 0.000 0.264 68 G C 0.103 174.998 174.900 -0.007 0.000 0.975 68 G CA 0.234 45.331 45.100 -0.005 0.000 0.642 68 G HN 0.373 nan 8.290 nan 0.000 0.536 69 L N 0.112 121.330 121.223 -0.008 0.000 2.452 69 L HA 0.554 4.894 4.340 0.000 0.000 0.267 69 L C 0.675 177.537 176.870 -0.014 0.000 1.188 69 L CA -0.532 54.302 54.840 -0.011 0.000 0.821 69 L CB 1.209 43.261 42.059 -0.011 0.000 1.102 69 L HN -0.003 nan 8.230 nan 0.000 0.470 70 V N 1.714 121.617 119.914 -0.018 0.000 2.823 70 V HA 0.392 4.512 4.120 0.000 0.000 0.312 70 V C -0.036 176.042 176.094 -0.025 0.000 1.072 70 V CA -0.969 61.319 62.300 -0.019 0.000 0.937 70 V CB 1.959 33.771 31.823 -0.018 0.000 1.013 70 V HN 0.633 nan 8.190 nan 0.000 0.430 71 R N 1.665 122.151 120.500 -0.024 0.000 2.522 71 R HA 0.422 4.762 4.340 0.000 0.000 0.284 71 R C 1.304 177.583 176.300 -0.035 0.000 1.032 71 R CA 1.300 57.382 56.100 -0.030 0.000 1.049 71 R CB 0.265 30.550 30.300 -0.025 0.000 0.956 71 R HN 1.220 nan 8.270 nan 0.000 0.422 72 G N 1.643 110.416 108.800 -0.047 0.000 2.234 72 G HA2 -0.320 3.640 3.960 0.000 0.000 0.235 72 G HA3 -0.320 3.640 3.960 0.000 0.000 0.235 72 G C 0.225 175.091 174.900 -0.057 0.000 0.997 72 G CA -0.019 45.050 45.100 -0.051 0.000 0.623 72 G HN 0.596 nan 8.290 nan 0.000 0.514 73 Q N 1.052 120.821 119.800 -0.051 0.000 2.369 73 Q HA 0.359 4.699 4.340 0.000 0.000 0.295 73 Q C 0.445 176.404 176.000 -0.068 0.000 1.075 73 Q CA 0.518 56.292 55.803 -0.049 0.000 0.941 73 Q CB 0.286 29.001 28.738 -0.037 0.000 1.260 73 Q HN 0.460 nan 8.270 nan 0.000 0.417 74 K N 1.223 121.588 120.400 -0.059 0.000 2.185 74 K HA 0.428 4.748 4.320 0.000 0.000 0.271 74 K C -1.283 175.277 176.600 -0.066 0.000 1.013 74 K CA -0.441 55.803 56.287 -0.072 0.000 0.943 74 K CB 1.275 33.747 32.500 -0.048 0.000 0.998 74 K HN 0.316 nan 8.250 nan 0.000 0.468 75 V N 4.214 124.074 119.914 -0.090 0.000 2.655 75 V HA 0.256 4.376 4.120 0.000 0.000 0.301 75 V C -0.940 175.170 176.094 0.026 0.000 1.082 75 V CA -0.809 61.464 62.300 -0.045 0.000 0.899 75 V CB 1.627 33.397 31.823 -0.088 0.000 1.014 75 V HN 0.601 nan 8.190 nan 0.000 0.429 76 L N 3.543 124.817 121.223 0.086 0.000 2.275 76 L HA 0.485 4.825 4.340 0.000 0.000 0.288 76 L C -0.006 176.974 176.870 0.184 0.000 1.046 76 L CA -0.525 54.399 54.840 0.140 0.000 0.805 76 L CB 1.490 43.592 42.059 0.072 0.000 1.193 76 L HN 0.657 nan 8.230 nan 0.000 0.426 77 D N 1.523 122.056 120.400 0.223 0.000 2.401 77 D HA -0.049 4.591 4.640 0.000 0.000 0.254 77 D C 1.190 177.511 176.300 0.035 0.000 1.192 77 D CA 0.029 54.079 54.000 0.085 0.000 0.885 77 D CB 1.306 42.042 40.800 -0.107 0.000 1.147 77 D HN 0.522 nan 8.370 nan 0.000 0.478 78 S N 2.990 118.707 115.700 0.028 0.000 2.547 78 S HA 0.051 4.521 4.470 0.000 0.000 0.235 78 S C 1.772 176.366 174.600 -0.010 0.000 0.980 78 S CA 0.581 58.785 58.200 0.007 0.000 0.941 78 S CB -0.587 62.617 63.200 0.007 0.000 0.763 78 S HN 1.067 nan 8.310 nan 0.000 0.532 79 G N -0.003 108.784 108.800 -0.022 0.000 2.148 79 G HA2 0.074 4.034 3.960 0.000 0.000 0.254 79 G HA3 0.074 4.034 3.960 0.000 0.000 0.254 79 G C 0.174 175.061 174.900 -0.021 0.000 0.981 79 G CA -0.019 45.062 45.100 -0.030 0.000 0.670 79 G HN 1.746 nan 8.290 nan 0.000 0.528 80 A N -1.067 121.748 122.820 -0.009 0.000 2.597 80 A HA 0.822 5.142 4.320 0.000 0.000 0.292 80 A C -2.863 174.735 177.584 0.023 0.000 1.057 80 A CA -0.434 51.605 52.037 0.003 0.000 0.674 80 A CB 1.181 20.184 19.000 0.004 0.000 1.278 80 A HN 0.235 nan 8.150 nan 0.000 0.416 81 P HA 0.275 nan 4.420 nan 0.000 0.271 81 P C -0.148 177.207 177.300 0.092 0.000 1.238 81 P CA 0.014 63.171 63.100 0.094 0.000 0.794 81 P CB 0.200 31.997 31.700 0.161 0.000 0.959 82 I N 1.137 121.774 120.570 0.113 0.000 2.821 82 I HA -0.088 4.082 4.170 0.000 0.000 0.294 82 I C 1.290 177.440 176.117 0.055 0.000 1.210 82 I CA 0.942 62.282 61.300 0.067 0.000 1.430 82 I CB -0.264 37.767 38.000 0.053 0.000 1.356 82 I HN 0.114 nan 8.210 nan 0.000 0.563 83 R N 7.546 128.083 120.500 0.062 0.000 2.494 83 R HA 0.681 5.021 4.340 0.000 0.000 0.305 83 R C -0.658 175.738 176.300 0.160 0.000 0.959 83 R CA -0.782 55.375 56.100 0.095 0.000 0.864 83 R CB 1.896 32.260 30.300 0.107 0.000 1.159 83 R HN 0.589 nan 8.270 nan 0.000 0.446 84 I N -0.947 119.699 120.570 0.128 0.000 2.846 84 I HA 0.592 4.762 4.170 0.000 0.000 0.307 84 I C -2.447 173.621 176.117 -0.082 0.000 1.053 84 I CA -3.396 57.968 61.300 0.105 0.000 1.050 84 I CB 2.123 40.110 38.000 -0.022 0.000 1.239 84 I HN 0.322 nan 8.210 nan 0.000 0.439 85 P HA 0.055 nan 4.420 nan 0.000 0.260 85 P C -0.396 176.561 177.300 -0.572 0.000 1.207 85 P CA 0.152 62.736 63.100 -0.860 0.000 0.780 85 P CB 0.477 31.877 31.700 -0.500 0.000 0.789 86 V N 1.273 120.801 119.914 -0.643 0.000 2.815 86 V HA 1.030 5.150 4.120 0.000 0.000 0.314 86 V C 0.210 175.761 176.094 -0.905 0.000 1.064 86 V CA -0.284 61.624 62.300 -0.653 0.000 0.952 86 V CB 1.522 33.014 31.823 -0.552 0.000 1.020 86 V HN 0.882 nan 8.190 nan 0.000 0.439 87 G N 3.013 111.112 108.800 -1.168 0.000 2.361 87 G HA2 0.215 4.175 3.960 0.000 0.000 0.331 87 G HA3 0.215 4.175 3.960 0.000 0.000 0.331 87 G C -2.701 172.049 174.900 -0.251 0.000 1.324 87 G CA 0.015 44.471 45.100 -1.073 0.000 0.984 87 G HN 0.605 nan 8.290 nan 0.000 0.586 88 P HA -0.005 nan 4.420 nan 0.000 0.220 88 P C 1.167 178.458 177.300 -0.014 0.000 1.148 88 P CA 1.560 64.697 63.100 0.062 0.000 0.803 88 P CB 0.038 31.755 31.700 0.029 0.000 0.782 89 E N 0.098 120.265 120.200 -0.054 0.000 2.485 89 E HA -0.034 4.316 4.350 0.000 0.000 0.194 89 E C 1.086 177.658 176.600 -0.047 0.000 1.098 89 E CA 0.868 57.239 56.400 -0.047 0.000 0.878 89 E CB -1.230 28.439 29.700 -0.053 0.000 0.939 89 E HN 0.365 nan 8.360 nan 0.000 0.503 90 T N -1.764 112.770 114.554 -0.035 0.000 3.051 90 T HA 0.135 4.485 4.350 0.000 0.000 0.255 90 T C 1.093 175.825 174.700 0.053 0.000 1.085 90 T CA -0.325 61.766 62.100 -0.015 0.000 1.109 90 T CB -0.254 68.584 68.868 -0.050 0.000 0.921 90 T HN 0.029 nan 8.240 nan 0.000 0.488 91 L N 2.069 123.330 121.223 0.063 0.000 2.525 91 L HA 0.412 4.752 4.340 0.000 0.000 0.278 91 L C 1.776 178.689 176.870 0.071 0.000 1.218 91 L CA 1.055 55.929 54.840 0.058 0.000 0.878 91 L CB -0.079 41.963 42.059 -0.028 0.000 1.127 91 L HN 0.548 nan 8.230 nan 0.000 0.492 92 G N 1.228 110.090 108.800 0.103 0.000 2.189 92 G HA2 -0.234 3.726 3.960 0.000 0.000 0.267 92 G HA3 -0.234 3.726 3.960 0.000 0.000 0.267 92 G C 0.427 175.411 174.900 0.141 0.000 0.975 92 G CA -0.114 45.059 45.100 0.120 0.000 0.644 92 G HN 0.455 nan 8.290 nan 0.000 0.537 93 R N -0.399 120.164 120.500 0.104 0.000 2.782 93 R HA 0.791 5.131 4.340 0.000 0.000 0.258 93 R C 0.247 176.580 176.300 0.055 0.000 1.055 93 R CA -1.077 55.067 56.100 0.073 0.000 1.065 93 R CB 0.771 31.092 30.300 0.036 0.000 1.172 93 R HN 0.280 nan 8.270 nan 0.000 0.510 94 I N 1.466 122.032 120.570 -0.007 0.000 2.418 94 I HA 0.413 4.583 4.170 0.000 0.000 0.287 94 I C -0.008 176.110 176.117 0.002 0.000 1.008 94 I CA -0.359 60.931 61.300 -0.016 0.000 1.104 94 I CB 1.618 39.514 38.000 -0.173 0.000 1.264 94 I HN 0.219 nan 8.210 nan 0.000 0.438 95 M N 4.244 123.867 119.600 0.038 0.000 2.724 95 M HA 0.434 4.914 4.480 0.000 0.000 0.310 95 M C -0.308 176.019 176.300 0.045 0.000 1.217 95 M CA -0.626 54.688 55.300 0.024 0.000 0.894 95 M CB 2.094 34.696 32.600 0.003 0.000 1.719 95 M HN 0.481 nan 8.290 nan 0.000 0.479 96 N N -0.433 118.285 118.700 0.030 0.000 2.405 96 N HA 0.284 5.024 4.740 0.000 0.000 0.269 96 N C 0.681 176.201 175.510 0.017 0.000 1.249 96 N CA -0.311 52.758 53.050 0.031 0.000 0.974 96 N CB 1.136 39.636 38.487 0.022 0.000 1.204 96 N HN 0.458 nan 8.380 nan 0.000 0.565 97 V N 0.453 120.377 119.914 0.018 0.000 2.427 97 V HA -0.151 3.969 4.120 0.000 0.000 0.248 97 V C 1.665 177.760 176.094 0.002 0.000 1.051 97 V CA 1.583 63.886 62.300 0.004 0.000 1.048 97 V CB -0.902 30.928 31.823 0.012 0.000 0.666 97 V HN 0.743 nan 8.190 nan 0.000 0.456 98 I N -0.938 119.641 120.570 0.015 0.000 3.806 98 I HA 0.609 4.779 4.170 0.000 0.000 0.321 98 I C 1.275 177.412 176.117 0.033 0.000 1.315 98 I CA 0.535 61.849 61.300 0.023 0.000 1.148 98 I CB -0.508 37.508 38.000 0.027 0.000 1.028 98 I HN 0.321 nan 8.210 nan 0.000 0.415 99 G N 1.181 109.994 108.800 0.023 0.000 2.147 99 G HA2 -0.253 3.707 3.960 0.000 0.000 0.244 99 G HA3 -0.253 3.707 3.960 0.000 0.000 0.244 99 G C -0.207 174.717 174.900 0.041 0.000 1.005 99 G CA 0.057 45.175 45.100 0.029 0.000 0.713 99 G HN 0.685 nan 8.290 nan 0.000 0.515 100 E N 0.978 121.197 120.200 0.031 0.000 2.204 100 E HA 0.421 4.771 4.350 0.000 0.000 0.276 100 E C -2.380 174.230 176.600 0.016 0.000 0.974 100 E CA -2.187 54.231 56.400 0.030 0.000 0.815 100 E CB 1.695 31.410 29.700 0.025 0.000 1.119 100 E HN 0.136 nan 8.360 nan 0.000 0.393 101 P HA 0.007 nan 4.420 nan 0.000 0.269 101 P C 0.154 177.449 177.300 -0.009 0.000 1.209 101 P CA 0.392 63.492 63.100 0.000 0.000 0.776 101 P CB 0.327 32.029 31.700 0.004 0.000 0.876 102 I N -1.475 119.077 120.570 -0.030 0.000 3.994 102 I HA 0.274 4.444 4.170 0.000 0.000 0.323 102 I C -0.010 176.054 176.117 -0.088 0.000 1.501 102 I CA -0.247 61.026 61.300 -0.046 0.000 1.112 102 I CB 0.233 38.211 38.000 -0.038 0.000 1.254 102 I HN 0.005 nan 8.210 nan 0.000 0.495 103 D N -0.113 120.237 120.400 -0.083 0.000 2.395 103 D HA 0.034 4.674 4.640 0.000 0.000 0.213 103 D C 0.518 176.805 176.300 -0.021 0.000 1.110 103 D CA -0.056 53.882 54.000 -0.104 0.000 0.835 103 D CB -0.033 40.685 40.800 -0.137 0.000 0.965 103 D HN 0.245 nan 8.370 nan 0.000 0.505 104 E N 0.002 120.196 120.200 -0.010 0.000 2.791 104 E HA -0.256 4.094 4.350 0.000 0.000 0.271 104 E C 0.233 176.847 176.600 0.024 0.000 1.044 104 E CA 0.400 56.807 56.400 0.010 0.000 0.814 104 E CB -1.641 28.070 29.700 0.018 0.000 1.400 104 E HN 0.567 nan 8.360 nan 0.000 0.423 105 R N 0.035 120.551 120.500 0.026 0.000 2.586 105 R HA 0.336 4.676 4.340 0.000 0.000 0.336 105 R C 0.947 177.263 176.300 0.027 0.000 1.060 105 R CA 0.438 56.559 56.100 0.035 0.000 1.079 105 R CB 0.954 31.285 30.300 0.050 0.000 1.317 105 R HN 0.287 nan 8.270 nan 0.000 0.568 106 G N 2.212 111.025 108.800 0.021 0.000 2.756 106 G HA2 -0.195 3.765 3.960 0.000 0.000 0.678 106 G HA3 -0.195 3.765 3.960 0.000 0.000 0.678 106 G C -2.578 172.335 174.900 0.021 0.000 1.349 106 G CA -1.275 43.837 45.100 0.020 0.000 0.847 106 G HN 0.004 nan 8.290 nan 0.000 0.548 107 P HA 0.317 nan 4.420 nan 0.000 0.270 107 P C 0.070 177.385 177.300 0.024 0.000 1.221 107 P CA 0.103 63.222 63.100 0.032 0.000 0.788 107 P CB 0.333 32.056 31.700 0.039 0.000 0.904 108 I N 1.461 122.046 120.570 0.025 0.000 2.371 108 I HA 0.177 4.347 4.170 0.000 0.000 0.282 108 I C 0.801 176.911 176.117 -0.012 0.000 1.031 108 I CA -0.366 60.928 61.300 -0.009 0.000 1.180 108 I CB 0.548 38.526 38.000 -0.038 0.000 1.336 108 I HN 0.012 nan 8.210 nan 0.000 0.467 109 K N 5.690 126.084 120.400 -0.010 0.000 2.187 109 K HA 0.183 4.503 4.320 0.000 0.000 0.242 109 K C 0.245 176.819 176.600 -0.044 0.000 1.179 109 K CA -0.245 56.044 56.287 0.003 0.000 1.097 109 K CB -0.168 32.343 32.500 0.018 0.000 1.634 109 K HN 0.593 nan 8.250 nan 0.000 0.335 110 T N -1.770 112.711 114.554 -0.122 0.000 2.913 110 T HA 0.198 4.548 4.350 0.000 0.000 0.287 110 T C 1.080 175.706 174.700 -0.124 0.000 1.008 110 T CA -0.861 61.106 62.100 -0.222 0.000 1.067 110 T CB 1.619 70.193 68.868 -0.490 0.000 0.996 110 T HN 0.289 nan 8.240 nan 0.000 0.513 111 K N 0.851 121.187 120.400 -0.106 0.000 2.103 111 K HA 0.005 4.325 4.320 0.000 0.000 0.204 111 K C 0.414 177.025 176.600 0.017 0.000 1.052 111 K CA 0.856 57.135 56.287 -0.014 0.000 0.945 111 K CB -0.098 32.403 32.500 0.003 0.000 0.722 111 K HN 0.606 nan 8.250 nan 0.000 0.443 112 Q N -0.424 119.317 119.800 -0.099 0.000 2.445 112 Q HA 0.532 4.872 4.340 0.000 0.000 0.281 112 Q C -1.034 174.772 176.000 -0.322 0.000 1.101 112 Q CA -0.662 55.116 55.803 -0.041 0.000 0.833 112 Q CB 1.040 29.761 28.738 -0.028 0.000 1.416 112 Q HN -0.063 nan 8.270 nan 0.000 0.451 113 F N -0.187 119.723 119.950 -0.068 0.000 2.565 113 F HA 0.829 5.356 4.527 -0.000 0.000 0.313 113 F C -0.587 175.179 175.800 -0.056 0.000 1.091 113 F CA -0.823 57.135 58.000 -0.070 0.000 0.915 113 F CB 2.246 41.217 39.000 -0.047 0.000 1.208 113 F HN 0.650 nan 8.300 nan 0.000 0.453 114 A N 1.524 124.379 122.820 0.058 0.000 2.386 114 A HA 0.885 5.205 4.320 0.000 0.000 0.311 114 A C -1.143 176.462 177.584 0.036 0.000 1.068 114 A CA -0.752 51.300 52.037 0.026 0.000 0.743 114 A CB 1.138 20.115 19.000 -0.039 0.000 1.258 114 A HN 0.968 nan 8.150 nan 0.000 0.429 115 A N 1.439 124.279 122.820 0.034 0.000 2.366 115 A HA 0.497 4.817 4.320 0.000 0.000 0.272 115 A C 1.068 178.644 177.584 -0.014 0.000 1.135 115 A CA -0.035 52.022 52.037 0.034 0.000 0.804 115 A CB -0.358 18.677 19.000 0.059 0.000 1.064 115 A HN 1.602 nan 8.150 nan 0.000 0.499 116 I N -0.402 120.128 120.570 -0.065 0.000 2.756 116 I HA -0.038 4.132 4.170 0.000 0.000 0.262 116 I C 0.166 176.116 176.117 -0.279 0.000 1.225 116 I CA 0.687 61.876 61.300 -0.185 0.000 1.472 116 I CB -0.364 37.495 38.000 -0.234 0.000 1.094 116 I HN 0.493 nan 8.210 nan 0.000 0.454 117 H N 2.392 121.452 119.070 -0.017 0.000 2.517 117 H HA 0.796 5.352 4.556 0.000 0.000 0.317 117 H C -0.386 174.930 175.328 -0.020 0.000 1.080 117 H CA -0.068 55.969 56.048 -0.018 0.000 1.301 117 H CB 1.607 31.364 29.762 -0.008 0.000 1.425 117 H HN 0.429 nan 8.280 nan 0.000 0.471 118 A N 3.149 126.015 122.820 0.077 0.000 2.612 118 A HA 0.333 4.653 4.320 0.000 0.000 0.293 118 A C -0.683 176.914 177.584 0.023 0.000 1.075 118 A CA -0.934 51.125 52.037 0.037 0.000 0.680 118 A CB 1.555 20.557 19.000 0.004 0.000 1.279 118 A HN 0.521 nan 8.150 nan 0.000 0.411 119 E N 0.627 120.836 120.200 0.015 0.000 2.383 119 E HA 0.486 4.836 4.350 0.000 0.000 0.264 119 E C 0.472 177.073 176.600 0.001 0.000 1.050 119 E CA 0.237 56.644 56.400 0.011 0.000 0.896 119 E CB 1.373 31.080 29.700 0.011 0.000 0.982 119 E HN 0.851 nan 8.360 nan 0.000 0.424 120 A N 3.773 126.594 122.820 0.002 0.000 2.322 120 A HA 0.426 4.746 4.320 0.000 0.000 0.269 120 A C -2.072 175.517 177.584 0.009 0.000 1.094 120 A CA -1.271 50.764 52.037 -0.003 0.000 0.807 120 A CB -0.365 18.634 19.000 -0.003 0.000 1.047 120 A HN 0.336 nan 8.150 nan 0.000 0.487 121 P HA 0.025 nan 4.420 nan 0.000 0.263 121 P C -0.070 177.251 177.300 0.035 0.000 1.175 121 P CA 0.352 63.458 63.100 0.010 0.000 0.761 121 P CB 0.365 32.064 31.700 -0.001 0.000 0.794 122 E N 1.385 121.609 120.200 0.040 0.000 2.392 122 E HA -0.002 4.348 4.350 0.000 0.000 0.256 122 E C 0.844 177.512 176.600 0.114 0.000 1.145 122 E CA -0.246 56.201 56.400 0.078 0.000 0.929 122 E CB 0.027 29.766 29.700 0.065 0.000 0.998 122 E HN 0.384 nan 8.360 nan 0.000 0.442 123 F N 1.847 121.797 119.950 0.000 0.000 2.126 123 F HA -0.200 4.327 4.527 0.000 0.000 0.299 123 F C 1.761 177.561 175.800 0.000 0.000 1.096 123 F CA 1.560 59.561 58.000 0.001 0.000 1.255 123 F CB -0.192 38.809 39.000 0.003 0.000 0.997 123 F HN 0.244 nan 8.300 nan 0.000 0.479 124 V N -2.144 117.748 119.914 -0.036 0.000 3.541 124 V HA -0.017 4.103 4.120 0.000 0.000 0.272 124 V C 1.155 177.177 176.094 -0.120 0.000 1.215 124 V CA 1.345 63.560 62.300 -0.141 0.000 1.176 124 V CB -1.063 30.742 31.823 -0.030 0.000 0.854 124 V HN 0.430 nan 8.190 nan 0.000 0.496 125 E N -0.237 119.906 120.200 -0.095 0.000 2.489 125 E HA 0.256 4.606 4.350 0.000 0.000 0.204 125 E C 0.567 177.115 176.600 -0.088 0.000 1.006 125 E CA -0.343 56.016 56.400 -0.068 0.000 0.936 125 E CB 0.193 29.875 29.700 -0.031 0.000 1.002 125 E HN 0.472 nan 8.360 nan 0.000 0.488 126 M N 0.732 120.248 119.600 -0.139 0.000 2.245 126 M HA 0.144 4.624 4.480 0.000 0.000 0.330 126 M C 0.437 176.665 176.300 -0.120 0.000 1.098 126 M CA 0.276 55.501 55.300 -0.126 0.000 1.172 126 M CB 0.896 33.398 32.600 -0.162 0.000 1.467 126 M HN -0.164 nan 8.290 nan 0.000 0.454 127 S N 0.532 116.185 115.700 -0.078 0.000 2.566 127 S HA 0.739 5.209 4.470 0.000 0.000 0.298 127 S C -0.104 174.468 174.600 -0.048 0.000 1.083 127 S CA -0.744 57.419 58.200 -0.061 0.000 0.978 127 S CB 1.261 64.437 63.200 -0.041 0.000 1.073 127 S HN 0.607 nan 8.310 nan 0.000 0.491 128 V N 0.305 120.196 119.914 -0.039 0.000 2.925 128 V HA 0.562 4.682 4.120 0.000 0.000 0.361 128 V C -0.302 175.785 176.094 -0.012 0.000 1.361 128 V CA -0.601 61.685 62.300 -0.024 0.000 1.184 128 V CB 0.174 31.982 31.823 -0.027 0.000 1.245 128 V HN 0.586 nan 8.190 nan 0.000 0.575 129 E N 2.027 122.220 120.200 -0.011 0.000 2.366 129 E HA 0.476 4.826 4.350 0.000 0.000 0.266 129 E C -0.345 176.258 176.600 0.005 0.000 1.051 129 E CA 0.175 56.574 56.400 -0.003 0.000 0.884 129 E CB 1.115 30.813 29.700 -0.002 0.000 1.006 129 E HN 0.659 nan 8.360 nan 0.000 0.417 130 Q N 2.039 121.847 119.800 0.012 0.000 2.695 130 Q HA 0.284 4.624 4.340 0.000 0.000 0.246 130 Q C -0.782 175.235 176.000 0.028 0.000 0.961 130 Q CA -0.188 55.627 55.803 0.020 0.000 0.708 130 Q CB 1.581 30.331 28.738 0.021 0.000 1.282 130 Q HN 0.366 nan 8.270 nan 0.000 0.482 131 E N 2.445 122.664 120.200 0.033 0.000 2.145 131 E HA 0.333 4.683 4.350 0.000 0.000 0.270 131 E C -0.441 176.192 176.600 0.056 0.000 0.906 131 E CA -0.608 55.817 56.400 0.041 0.000 0.761 131 E CB 2.206 31.929 29.700 0.037 0.000 1.116 131 E HN 0.517 nan 8.360 nan 0.000 0.408 132 I N 3.954 124.562 120.570 0.064 0.000 2.815 132 I HA -0.114 4.056 4.170 0.000 0.000 0.291 132 I C -0.524 175.643 176.117 0.084 0.000 1.209 132 I CA 0.297 61.646 61.300 0.081 0.000 1.431 132 I CB 0.415 38.471 38.000 0.093 0.000 1.351 132 I HN 0.460 nan 8.210 nan 0.000 0.585 133 L N 8.969 130.253 121.223 0.102 0.000 2.371 133 L HA 0.345 4.685 4.340 0.000 0.000 0.262 133 L C -0.604 176.315 176.870 0.080 0.000 1.054 133 L CA -0.412 54.489 54.840 0.102 0.000 0.924 133 L CB 0.842 42.984 42.059 0.138 0.000 1.295 133 L HN 0.354 nan 8.230 nan 0.000 0.441 134 V N 3.288 123.237 119.914 0.059 0.000 2.617 134 V HA 0.019 4.139 4.120 0.000 0.000 0.304 134 V C 1.587 177.688 176.094 0.012 0.000 1.040 134 V CA 1.150 63.468 62.300 0.031 0.000 1.149 134 V CB 0.783 32.627 31.823 0.035 0.000 0.914 134 V HN 0.910 nan 8.190 nan 0.000 0.487 135 T N 0.005 114.537 114.554 -0.036 0.000 2.969 135 T HA 0.336 4.686 4.350 0.000 0.000 0.250 135 T C 1.358 176.032 174.700 -0.043 0.000 1.021 135 T CA 0.838 62.911 62.100 -0.045 0.000 1.003 135 T CB 0.674 69.461 68.868 -0.135 0.000 1.040 135 T HN 1.554 nan 8.240 nan 0.000 0.492 136 G N 1.814 110.595 108.800 -0.032 0.000 2.176 136 G HA2 -0.145 3.815 3.960 0.000 0.000 0.232 136 G HA3 -0.145 3.815 3.960 0.000 0.000 0.232 136 G C 0.011 174.907 174.900 -0.006 0.000 0.986 136 G CA -0.033 45.057 45.100 -0.018 0.000 0.643 136 G HN 0.611 nan 8.290 nan 0.000 0.522 137 I N 1.509 122.070 120.570 -0.014 0.000 2.312 137 I HA 0.230 4.400 4.170 0.000 0.000 0.291 137 I C 1.584 177.724 176.117 0.038 0.000 1.031 137 I CA -0.390 60.942 61.300 0.054 0.000 1.293 137 I CB 1.046 39.084 38.000 0.062 0.000 1.403 137 I HN 0.058 nan 8.210 nan 0.000 0.484 138 K N 3.938 124.366 120.400 0.046 0.000 2.000 138 K HA -0.177 4.143 4.320 0.000 0.000 0.218 138 K C 1.863 178.501 176.600 0.063 0.000 1.053 138 K CA 1.842 58.162 56.287 0.055 0.000 0.946 138 K CB -0.191 32.316 32.500 0.010 0.000 0.723 138 K HN 0.582 nan 8.250 nan 0.000 0.446 139 V N 0.913 120.855 119.914 0.047 0.000 2.219 139 V HA -0.286 3.834 4.120 0.000 0.000 0.248 139 V C 2.393 178.487 176.094 -0.000 0.000 1.053 139 V CA 2.064 64.370 62.300 0.010 0.000 1.009 139 V CB -1.066 30.774 31.823 0.029 0.000 0.636 139 V HN 0.097 nan 8.190 nan 0.000 0.445 140 V N 0.723 120.632 119.914 -0.008 0.000 2.231 140 V HA -0.326 3.794 4.120 0.000 0.000 0.248 140 V C 2.489 178.539 176.094 -0.074 0.000 1.054 140 V CA 2.571 64.821 62.300 -0.083 0.000 1.015 140 V CB -0.950 30.700 31.823 -0.288 0.000 0.638 140 V HN 0.557 nan 8.190 nan 0.000 0.444 141 D N -0.292 120.071 120.400 -0.062 0.000 2.106 141 D HA -0.185 4.455 4.640 0.000 0.000 0.191 141 D C 2.003 178.397 176.300 0.157 0.000 0.997 141 D CA 1.560 55.573 54.000 0.023 0.000 0.834 141 D CB -0.465 40.345 40.800 0.015 0.000 0.956 141 D HN 0.324 nan 8.370 nan 0.000 0.448 142 L N 0.373 121.660 121.223 0.107 0.000 1.970 142 L HA -0.147 4.193 4.340 0.000 0.000 0.212 142 L C 2.201 179.164 176.870 0.155 0.000 1.071 142 L CA 1.688 56.617 54.840 0.148 0.000 0.751 142 L CB -0.435 41.613 42.059 -0.018 0.000 0.889 142 L HN 0.038 nan 8.230 nan 0.000 0.432 143 L N -1.598 119.636 121.223 0.018 0.000 2.357 143 L HA 0.275 4.615 4.340 0.000 0.000 0.211 143 L C 0.876 177.737 176.870 -0.015 0.000 1.075 143 L CA 0.508 55.329 54.840 -0.032 0.000 0.830 143 L CB -0.185 41.834 42.059 -0.065 0.000 0.996 143 L HN 0.283 nan 8.230 nan 0.000 0.467 144 A N 0.370 123.203 122.820 0.022 0.000 3.410 144 A HA 0.456 4.776 4.320 0.000 0.000 0.276 144 A C -2.585 175.057 177.584 0.098 0.000 0.995 144 A CA -1.017 51.060 52.037 0.068 0.000 0.934 144 A CB -0.245 18.821 19.000 0.110 0.000 1.191 144 A HN -0.150 nan 8.150 nan 0.000 0.511 145 P HA 0.018 nan 4.420 nan 0.000 0.263 145 P C -0.600 176.823 177.300 0.204 0.000 1.175 145 P CA 0.753 63.890 63.100 0.063 0.000 0.761 145 P CB 0.240 31.971 31.700 0.050 0.000 0.794 146 Y N 1.141 121.475 120.300 0.056 0.000 2.298 146 Y HA 0.510 5.060 4.550 0.000 0.000 0.329 146 Y C 0.964 176.884 175.900 0.034 0.000 1.293 146 Y CA -1.661 56.465 58.100 0.043 0.000 1.388 146 Y CB 0.270 38.755 38.460 0.042 0.000 1.309 146 Y HN 0.370 nan 8.280 nan 0.000 0.544 147 A N 2.197 125.131 122.820 0.190 0.000 2.356 147 A HA 0.463 4.783 4.320 0.000 0.000 0.310 147 A C -0.407 177.216 177.584 0.065 0.000 1.075 147 A CA -1.116 50.983 52.037 0.103 0.000 0.746 147 A CB 0.759 19.799 19.000 0.067 0.000 1.221 147 A HN 0.726 nan 8.150 nan 0.000 0.443 148 K N 0.969 121.404 120.400 0.058 0.000 2.511 148 K HA 0.295 4.615 4.320 0.000 0.000 0.280 148 K C 1.351 177.956 176.600 0.009 0.000 1.008 148 K CA 1.718 58.025 56.287 0.034 0.000 1.050 148 K CB 0.092 32.618 32.500 0.043 0.000 0.889 148 K HN 1.715 nan 8.250 nan 0.000 0.484 149 G N 2.304 111.093 108.800 -0.018 0.000 2.189 149 G HA2 -0.268 3.692 3.960 0.000 0.000 0.267 149 G HA3 -0.268 3.692 3.960 0.000 0.000 0.267 149 G C 0.430 175.308 174.900 -0.036 0.000 0.975 149 G CA 0.229 45.311 45.100 -0.029 0.000 0.644 149 G HN 0.904 nan 8.290 nan 0.000 0.537 150 G N -0.653 108.127 108.800 -0.033 0.000 2.557 150 G HA2 0.565 4.525 3.960 0.000 0.000 0.292 150 G HA3 0.565 4.525 3.960 0.000 0.000 0.292 150 G C -0.129 174.727 174.900 -0.074 0.000 1.237 150 G CA -0.606 44.473 45.100 -0.034 0.000 0.978 150 G HN 0.375 nan 8.290 nan 0.000 0.498 151 K N 0.108 120.470 120.400 -0.064 0.000 2.240 151 K HA 0.429 4.749 4.320 0.000 0.000 0.271 151 K C -0.817 175.709 176.600 -0.123 0.000 1.018 151 K CA -0.160 56.072 56.287 -0.091 0.000 0.874 151 K CB 1.812 34.286 32.500 -0.043 0.000 1.098 151 K HN 0.251 nan 8.250 nan 0.000 0.458 152 I N 1.028 121.474 120.570 -0.208 0.000 2.493 152 I HA 0.403 4.573 4.170 0.000 0.000 0.298 152 I C 0.271 176.247 176.117 -0.236 0.000 0.998 152 I CA -0.666 60.452 61.300 -0.303 0.000 1.137 152 I CB 2.222 39.850 38.000 -0.621 0.000 1.310 152 I HN 0.630 nan 8.210 nan 0.000 0.445 153 G N 6.113 114.812 108.800 -0.167 0.000 2.643 153 G HA2 0.671 4.631 3.960 0.000 0.000 0.305 153 G HA3 0.671 4.631 3.960 0.000 0.000 0.305 153 G C -1.156 173.686 174.900 -0.096 0.000 1.387 153 G CA -0.502 44.483 45.100 -0.191 0.000 0.982 153 G HN 0.417 nan 8.290 nan 0.000 0.501 154 L N 2.300 123.439 121.223 -0.140 0.000 2.277 154 L HA 0.451 4.791 4.340 0.000 0.000 0.284 154 L C -0.778 176.057 176.870 -0.058 0.000 1.028 154 L CA -0.605 54.241 54.840 0.011 0.000 0.835 154 L CB 0.838 42.932 42.059 0.059 0.000 1.215 154 L HN 0.334 nan 8.230 nan 0.000 0.425 155 F N 1.512 121.449 119.950 -0.021 0.000 2.394 155 F HA 0.733 5.260 4.527 -0.000 0.000 0.340 155 F C 0.930 176.725 175.800 -0.008 0.000 1.105 155 F CA -0.252 57.718 58.000 -0.048 0.000 1.124 155 F CB 1.992 40.938 39.000 -0.090 0.000 1.145 155 F HN 0.444 nan 8.300 nan 0.000 0.505 156 G N 1.187 110.066 108.800 0.132 0.000 2.691 156 G HA2 0.477 4.437 3.960 0.000 0.000 0.298 156 G HA3 0.477 4.437 3.960 0.000 0.000 0.298 156 G C -0.717 174.168 174.900 -0.025 0.000 1.471 156 G CA -0.427 44.718 45.100 0.074 0.000 0.912 156 G HN 0.927 nan 8.290 nan 0.000 0.553 157 G N -0.335 108.427 108.800 -0.064 0.000 2.611 157 G HA2 0.662 4.622 3.960 0.000 0.000 0.273 157 G HA3 0.662 4.622 3.960 0.000 0.000 0.273 157 G C 0.764 175.680 174.900 0.026 0.000 1.305 157 G CA 0.366 45.369 45.100 -0.162 0.000 1.010 157 G HN 1.694 nan 8.290 nan 0.000 0.509 158 A N -1.263 121.637 122.820 0.134 0.000 2.492 158 A HA 0.523 4.843 4.320 0.000 0.000 0.254 158 A C 1.433 179.090 177.584 0.122 0.000 1.091 158 A CA 0.967 53.139 52.037 0.224 0.000 0.768 158 A CB -0.608 18.535 19.000 0.238 0.000 1.028 158 A HN 2.557 nan 8.150 nan 0.000 0.498 159 G N 1.049 109.916 108.800 0.111 0.000 2.272 159 G HA2 -0.093 3.867 3.960 0.000 0.000 0.280 159 G HA3 -0.093 3.867 3.960 0.000 0.000 0.280 159 G C 0.473 175.419 174.900 0.078 0.000 1.067 159 G CA 0.790 45.932 45.100 0.070 0.000 0.902 159 G HN 2.133 nan 8.290 nan 0.000 0.500 160 V N -4.078 115.895 119.914 0.097 0.000 3.605 160 V HA 0.710 4.830 4.120 0.000 0.000 0.284 160 V C 1.686 177.878 176.094 0.164 0.000 1.386 160 V CA 1.020 63.394 62.300 0.124 0.000 1.053 160 V CB 0.382 32.258 31.823 0.088 0.000 0.857 160 V HN 2.075 nan 8.190 nan 0.000 0.436 161 G N 0.578 109.455 108.800 0.128 0.000 2.273 161 G HA2 -0.173 3.787 3.960 0.000 0.000 0.162 161 G HA3 -0.173 3.787 3.960 0.000 0.000 0.162 161 G C 0.673 175.667 174.900 0.158 0.000 1.006 161 G CA 0.173 45.358 45.100 0.142 0.000 0.704 161 G HN 0.387 nan 8.290 nan 0.000 0.487 162 K N 0.199 120.683 120.400 0.139 0.000 2.001 162 K HA -0.112 4.208 4.320 0.000 0.000 0.214 162 K C 2.490 179.178 176.600 0.147 0.000 1.050 162 K CA 2.121 58.491 56.287 0.139 0.000 0.934 162 K CB -0.477 32.094 32.500 0.118 0.000 0.718 162 K HN 0.276 nan 8.250 nan 0.000 0.443 163 T N 1.269 115.906 114.554 0.139 0.000 2.746 163 T HA -0.100 4.250 4.350 0.000 0.000 0.267 163 T C 2.118 176.908 174.700 0.152 0.000 1.039 163 T CA 1.189 63.378 62.100 0.149 0.000 1.142 163 T CB -0.239 68.717 68.868 0.146 0.000 0.866 163 T HN -0.041 nan 8.240 nan 0.000 0.444 164 V N 1.510 121.520 119.914 0.159 0.000 2.287 164 V HA -0.131 3.989 4.120 0.000 0.000 0.248 164 V C 2.416 178.648 176.094 0.231 0.000 1.053 164 V CA 1.414 63.838 62.300 0.208 0.000 1.027 164 V CB -0.672 31.289 31.823 0.230 0.000 0.646 164 V HN 0.333 nan 8.190 nan 0.000 0.447 165 L N -0.435 120.954 121.223 0.277 0.000 2.079 165 L HA -0.160 4.180 4.340 0.000 0.000 0.210 165 L C 2.092 179.042 176.870 0.132 0.000 1.081 165 L CA 1.851 56.853 54.840 0.270 0.000 0.752 165 L CB -0.423 41.821 42.059 0.308 0.000 0.896 165 L HN 0.243 nan 8.230 nan 0.000 0.433 166 I N -1.578 119.073 120.570 0.136 0.000 2.546 166 I HA -0.244 3.926 4.170 0.000 0.000 0.255 166 I C 1.952 178.060 176.117 -0.015 0.000 1.163 166 I CA 0.510 61.871 61.300 0.101 0.000 1.457 166 I CB 0.060 38.153 38.000 0.156 0.000 1.092 166 I HN 0.302 nan 8.210 nan 0.000 0.434 167 M N -0.330 119.276 119.600 0.010 0.000 2.156 167 M HA -0.186 4.294 4.480 0.000 0.000 0.264 167 M C 2.128 178.367 176.300 -0.102 0.000 1.067 167 M CA 1.565 56.838 55.300 -0.045 0.000 1.131 167 M CB -1.194 31.421 32.600 0.026 0.000 1.368 167 M HN 0.128 nan 8.290 nan 0.000 0.416 168 E N 0.184 120.295 120.200 -0.147 0.000 2.285 168 E HA -0.045 4.305 4.350 0.000 0.000 0.194 168 E C 1.938 178.409 176.600 -0.214 0.000 0.997 168 E CA 0.637 56.865 56.400 -0.286 0.000 0.845 168 E CB -0.066 29.177 29.700 -0.763 0.000 0.782 168 E HN 0.447 nan 8.360 nan 0.000 0.491 169 L N -0.089 121.061 121.223 -0.122 0.000 2.179 169 L HA 0.008 4.348 4.340 0.000 0.000 0.208 169 L C 2.158 179.023 176.870 -0.009 0.000 1.096 169 L CA 0.528 55.369 54.840 0.001 0.000 0.779 169 L CB -0.127 42.038 42.059 0.176 0.000 0.922 169 L HN 0.212 nan 8.230 nan 0.000 0.443 170 I N -0.047 120.419 120.570 -0.172 0.000 2.252 170 I HA -0.296 3.874 4.170 0.000 0.000 0.245 170 I C 2.257 178.327 176.117 -0.079 0.000 1.102 170 I CA 1.328 62.483 61.300 -0.240 0.000 1.385 170 I CB -0.178 37.582 38.000 -0.400 0.000 1.064 170 I HN 0.350 nan 8.210 nan 0.000 0.414 171 N N 1.208 119.856 118.700 -0.088 0.000 2.051 171 N HA -0.175 4.566 4.740 0.000 0.000 0.192 171 N C 1.440 176.931 175.510 -0.031 0.000 1.049 171 N CA 1.620 54.635 53.050 -0.058 0.000 0.845 171 N CB -0.080 38.361 38.487 -0.077 0.000 1.031 171 N HN 0.118 nan 8.380 nan 0.000 0.425 172 N N -0.874 117.799 118.700 -0.044 0.000 2.573 172 N HA -0.027 4.713 4.740 0.000 0.000 0.187 172 N C 0.554 176.080 175.510 0.027 0.000 1.107 172 N CA 0.489 53.526 53.050 -0.021 0.000 0.918 172 N CB 0.443 38.898 38.487 -0.053 0.000 0.966 172 N HN 0.208 nan 8.380 nan 0.000 0.448 173 V N -1.383 118.570 119.914 0.064 0.000 3.261 173 V HA 0.242 4.362 4.120 0.000 0.000 0.212 173 V C 1.879 178.067 176.094 0.157 0.000 1.381 173 V CA 0.588 62.957 62.300 0.114 0.000 1.322 173 V CB -0.652 31.265 31.823 0.156 0.000 1.188 173 V HN 0.100 nan 8.190 nan 0.000 0.520 174 A N 0.552 123.484 122.820 0.187 0.000 1.883 174 A HA -0.230 4.090 4.320 0.000 0.000 0.217 174 A C 2.091 179.775 177.584 0.166 0.000 1.186 174 A CA 2.310 54.484 52.037 0.228 0.000 0.624 174 A CB -0.492 18.656 19.000 0.246 0.000 0.822 174 A HN 0.510 nan 8.150 nan 0.000 0.444 175 K N -0.601 119.855 120.400 0.093 0.000 2.103 175 K HA -0.124 4.196 4.320 0.000 0.000 0.207 175 K C 2.090 178.728 176.600 0.063 0.000 1.048 175 K CA 1.294 57.618 56.287 0.062 0.000 0.930 175 K CB -0.260 32.254 32.500 0.023 0.000 0.716 175 K HN 0.481 nan 8.250 nan 0.000 0.444 176 A N 0.580 123.444 122.820 0.074 0.000 2.081 176 A HA -0.058 4.262 4.320 0.000 0.000 0.214 176 A C 0.515 178.135 177.584 0.061 0.000 1.158 176 A CA 0.084 52.151 52.037 0.050 0.000 0.724 176 A CB -0.434 18.591 19.000 0.041 0.000 0.826 176 A HN 0.348 nan 8.150 nan 0.000 0.463 177 H N 0.754 119.833 119.070 0.015 0.000 3.214 177 H HA 0.226 4.782 4.556 0.000 0.000 0.291 177 H C 0.788 176.090 175.328 -0.043 0.000 0.926 177 H CA 0.523 56.570 56.048 -0.001 0.000 1.409 177 H CB 0.335 30.115 29.762 0.030 0.000 1.406 177 H HN 0.141 nan 8.280 nan 0.000 0.561 178 G N 3.796 112.219 108.800 -0.628 0.000 2.696 178 G HA2 0.538 4.498 3.960 0.000 0.000 0.329 178 G HA3 0.538 4.498 3.960 0.000 0.000 0.329 178 G C -0.107 174.316 174.900 -0.795 0.000 0.973 178 G CA 0.260 45.050 45.100 -0.517 0.000 1.257 178 G HN 0.937 nan 8.290 nan 0.000 0.456 179 G N 0.840 109.216 108.800 -0.706 0.000 2.324 179 G HA2 0.371 4.331 3.960 0.000 0.000 0.293 179 G HA3 0.371 4.331 3.960 0.000 0.000 0.293 179 G C -1.265 173.400 174.900 -0.392 0.000 1.297 179 G CA -0.961 43.789 45.100 -0.583 0.000 0.853 179 G HN 0.276 nan 8.290 nan 0.000 0.535 180 Y N 0.016 120.319 120.300 0.004 0.000 2.344 180 Y HA 0.759 5.309 4.550 0.000 0.000 0.330 180 Y C 1.077 177.042 175.900 0.108 0.000 1.330 180 Y CA -0.365 57.701 58.100 -0.056 0.000 1.479 180 Y CB 1.494 39.679 38.460 -0.459 0.000 1.428 180 Y HN 0.477 nan 8.280 nan 0.000 0.544 181 S N -0.206 115.668 115.700 0.290 0.000 2.540 181 S HA 0.692 5.162 4.470 0.000 0.000 0.275 181 S C -1.652 173.122 174.600 0.290 0.000 1.123 181 S CA -0.819 57.537 58.200 0.260 0.000 0.907 181 S CB 1.859 65.258 63.200 0.333 0.000 1.081 181 S HN 0.299 nan 8.310 nan 0.000 0.476 182 V N 3.091 123.160 119.914 0.259 0.000 2.525 182 V HA 0.535 4.655 4.120 0.000 0.000 0.299 182 V C -1.393 174.854 176.094 0.254 0.000 1.034 182 V CA -0.625 61.816 62.300 0.235 0.000 0.863 182 V CB 1.363 33.284 31.823 0.163 0.000 0.999 182 V HN 0.848 nan 8.190 nan 0.000 0.423 183 F N 4.462 124.483 119.950 0.118 0.000 2.375 183 F HA 0.803 5.330 4.527 0.000 0.000 0.361 183 F C 0.282 176.012 175.800 -0.115 0.000 1.117 183 F CA -0.666 57.386 58.000 0.087 0.000 1.037 183 F CB 1.168 40.225 39.000 0.095 0.000 1.192 183 F HN 0.578 nan 8.300 nan 0.000 0.452 184 A N 4.657 127.240 122.820 -0.396 0.000 2.258 184 A HA 0.648 4.968 4.320 0.000 0.000 0.316 184 A C 0.105 177.394 177.584 -0.492 0.000 1.279 184 A CA -0.296 51.520 52.037 -0.368 0.000 0.876 184 A CB 0.128 18.963 19.000 -0.275 0.000 1.170 184 A HN 1.007 nan 8.150 nan 0.000 0.520 185 G N 1.400 109.888 108.800 -0.520 0.000 2.350 185 G HA2 0.499 4.459 3.960 0.000 0.000 0.306 185 G HA3 0.499 4.459 3.960 0.000 0.000 0.306 185 G C -0.591 174.256 174.900 -0.090 0.000 1.094 185 G CA -0.194 44.783 45.100 -0.205 0.000 0.953 185 G HN 0.709 nan 8.290 nan 0.000 0.420 186 V N 2.735 122.618 119.914 -0.052 0.000 2.334 186 V HA 0.583 4.703 4.120 0.000 0.000 0.281 186 V C 1.180 177.293 176.094 0.032 0.000 1.016 186 V CA 0.279 62.571 62.300 -0.012 0.000 0.832 186 V CB 0.733 32.536 31.823 -0.034 0.000 0.999 186 V HN 1.349 nan 8.190 nan 0.000 0.439 187 G N 3.326 112.154 108.800 0.047 0.000 2.258 187 G HA2 -0.197 3.763 3.960 0.000 0.000 0.274 187 G HA3 -0.197 3.763 3.960 0.000 0.000 0.274 187 G C 0.213 175.148 174.900 0.059 0.000 1.021 187 G CA 0.471 45.596 45.100 0.042 0.000 0.798 187 G HN 0.599 nan 8.290 nan 0.000 0.507 188 E N -0.612 119.648 120.200 0.100 0.000 3.029 188 E HA 0.440 4.790 4.350 0.000 0.000 0.249 188 E C 0.959 177.624 176.600 0.109 0.000 1.089 188 E CA -0.871 55.594 56.400 0.110 0.000 1.089 188 E CB 0.461 30.250 29.700 0.147 0.000 1.428 188 E HN 0.392 nan 8.360 nan 0.000 0.555 189 R N 0.369 120.933 120.500 0.107 0.000 2.298 189 R HA 0.191 4.531 4.340 0.000 0.000 0.310 189 R C 1.149 177.490 176.300 0.068 0.000 1.068 189 R CA -0.002 56.145 56.100 0.078 0.000 0.957 189 R CB 0.405 30.747 30.300 0.069 0.000 1.003 189 R HN 0.408 nan 8.270 nan 0.000 0.454 190 T N 2.461 117.035 114.554 0.033 0.000 2.684 190 T HA -0.209 4.141 4.350 0.000 0.000 0.267 190 T C 1.815 176.494 174.700 -0.035 0.000 1.036 190 T CA 1.550 63.639 62.100 -0.018 0.000 1.148 190 T CB -0.148 68.706 68.868 -0.024 0.000 0.863 190 T HN 0.591 nan 8.240 nan 0.000 0.436 191 R N 1.164 121.664 120.500 0.000 0.000 2.140 191 R HA -0.206 4.134 4.340 0.000 0.000 0.250 191 R C 2.125 178.428 176.300 0.005 0.000 1.150 191 R CA 2.120 58.225 56.100 0.008 0.000 0.966 191 R CB -0.242 30.075 30.300 0.029 0.000 0.869 191 R HN 0.510 nan 8.270 nan 0.000 0.445 192 E N -1.003 119.212 120.200 0.025 0.000 2.110 192 E HA -0.126 4.224 4.350 0.000 0.000 0.193 192 E C 1.914 178.510 176.600 -0.007 0.000 0.988 192 E CA 1.057 57.482 56.400 0.040 0.000 0.804 192 E CB -0.174 29.588 29.700 0.103 0.000 0.745 192 E HN 0.667 nan 8.360 nan 0.000 0.458 193 G N 0.937 109.679 108.800 -0.097 0.000 2.422 193 G HA2 -0.289 3.671 3.960 0.000 0.000 0.218 193 G HA3 -0.289 3.671 3.960 0.000 0.000 0.218 193 G C 1.400 176.132 174.900 -0.279 0.000 1.140 193 G CA 0.809 45.692 45.100 -0.362 0.000 0.775 193 G HN 0.175 nan 8.290 nan 0.000 0.545 194 N N 0.338 118.933 118.700 -0.175 0.000 2.216 194 N HA -0.059 4.681 4.740 0.000 0.000 0.183 194 N C 1.634 177.158 175.510 0.023 0.000 1.017 194 N CA 1.236 54.243 53.050 -0.071 0.000 0.861 194 N CB 0.017 38.504 38.487 -0.000 0.000 0.986 194 N HN 0.077 nan 8.380 nan 0.000 0.428 195 D N 0.101 120.510 120.400 0.015 0.000 2.097 195 D HA -0.133 4.507 4.640 0.000 0.000 0.197 195 D C 1.885 178.188 176.300 0.005 0.000 0.984 195 D CA 0.624 54.645 54.000 0.034 0.000 0.826 195 D CB -0.440 40.375 40.800 0.025 0.000 0.973 195 D HN 0.235 nan 8.370 nan 0.000 0.460 196 L N -0.013 121.182 121.223 -0.046 0.000 1.994 196 L HA -0.184 4.156 4.340 0.000 0.000 0.208 196 L C 2.277 179.124 176.870 -0.039 0.000 1.071 196 L CA 1.508 56.289 54.840 -0.097 0.000 0.745 196 L CB -0.845 41.071 42.059 -0.237 0.000 0.892 196 L HN 0.002 nan 8.230 nan 0.000 0.431 197 Y N 0.495 120.680 120.300 -0.192 0.000 2.040 197 Y HA -0.364 4.186 4.550 0.000 0.000 0.275 197 Y C 2.658 178.448 175.900 -0.184 0.000 1.171 197 Y CA 2.409 60.378 58.100 -0.218 0.000 1.123 197 Y CB -1.000 37.237 38.460 -0.372 0.000 0.963 197 Y HN 0.466 nan 8.280 nan 0.000 0.493 198 H N -0.999 118.016 119.070 -0.090 0.000 2.489 198 H HA -0.101 4.455 4.556 0.000 0.000 0.293 198 H C 2.040 177.277 175.328 -0.151 0.000 1.066 198 H CA 1.164 57.093 56.048 -0.199 0.000 1.305 198 H CB 0.119 29.823 29.762 -0.097 0.000 1.386 198 H HN 0.468 nan 8.280 nan 0.000 0.551 199 E N -0.275 119.920 120.200 -0.007 0.000 2.086 199 E HA -0.105 4.245 4.350 0.000 0.000 0.190 199 E C 1.794 178.359 176.600 -0.058 0.000 0.975 199 E CA 0.474 56.854 56.400 -0.033 0.000 0.813 199 E CB 0.225 29.901 29.700 -0.040 0.000 0.768 199 E HN 0.282 nan 8.360 nan 0.000 0.457 200 M N 0.213 119.769 119.600 -0.073 0.000 2.082 200 M HA -0.177 4.303 4.480 0.000 0.000 0.258 200 M C 2.221 178.475 176.300 -0.076 0.000 1.069 200 M CA 1.510 56.774 55.300 -0.060 0.000 1.102 200 M CB -0.847 31.733 32.600 -0.032 0.000 1.336 200 M HN 0.182 nan 8.290 nan 0.000 0.404 201 I N -0.223 120.262 120.570 -0.142 0.000 2.113 201 I HA -0.254 3.916 4.170 0.000 0.000 0.238 201 I C 2.292 178.362 176.117 -0.078 0.000 1.070 201 I CA 1.053 62.270 61.300 -0.137 0.000 1.332 201 I CB -0.466 37.405 38.000 -0.216 0.000 1.044 201 I HN 0.223 nan 8.210 nan 0.000 0.402 202 E N 0.702 120.862 120.200 -0.066 0.000 2.333 202 E HA -0.190 4.160 4.350 0.000 0.000 0.200 202 E C 1.786 178.361 176.600 -0.041 0.000 1.010 202 E CA 1.463 57.833 56.400 -0.050 0.000 0.841 202 E CB -0.257 29.416 29.700 -0.045 0.000 0.757 202 E HN 0.551 nan 8.360 nan 0.000 0.508 203 S N -2.235 113.441 115.700 -0.040 0.000 2.663 203 S HA 0.356 4.826 4.470 0.000 0.000 0.243 203 S C 1.373 175.960 174.600 -0.022 0.000 1.009 203 S CA 0.345 58.527 58.200 -0.029 0.000 0.988 203 S CB 0.624 63.807 63.200 -0.029 0.000 0.896 203 S HN 0.195 nan 8.310 nan 0.000 0.502 204 G N 1.247 110.031 108.800 -0.026 0.000 2.186 204 G HA2 -0.349 3.611 3.960 0.000 0.000 0.266 204 G HA3 -0.349 3.611 3.960 0.000 0.000 0.266 204 G C 0.796 175.694 174.900 -0.004 0.000 0.982 204 G CA 0.561 45.651 45.100 -0.016 0.000 0.670 204 G HN 0.937 nan 8.290 nan 0.000 0.533 205 V N -0.566 119.348 119.914 -0.001 0.000 2.626 205 V HA 0.196 4.316 4.120 0.000 0.000 0.252 205 V C 1.587 177.703 176.094 0.036 0.000 1.067 205 V CA 1.480 63.795 62.300 0.024 0.000 1.081 205 V CB -0.244 31.598 31.823 0.033 0.000 0.686 205 V HN 0.506 nan 8.190 nan 0.000 0.468 206 I N 1.283 121.861 120.570 0.013 0.000 2.404 206 I HA 0.398 4.568 4.170 0.000 0.000 0.293 206 I C -0.465 175.650 176.117 -0.003 0.000 0.992 206 I CA -0.222 61.091 61.300 0.021 0.000 1.149 206 I CB 1.652 39.657 38.000 0.008 0.000 1.315 206 I HN 0.088 nan 8.210 nan 0.000 0.446 207 N N 6.649 125.359 118.700 0.016 0.000 2.442 207 N HA 0.367 5.107 4.740 0.000 0.000 0.274 207 N C 0.160 175.680 175.510 0.017 0.000 1.002 207 N CA -0.400 52.654 53.050 0.008 0.000 0.910 207 N CB 1.815 40.311 38.487 0.015 0.000 1.244 207 N HN 0.558 nan 8.380 nan 0.000 0.492 208 L N 2.152 123.379 121.223 0.007 0.000 2.509 208 L HA 0.135 4.475 4.340 0.000 0.000 0.222 208 L C 1.712 178.596 176.870 0.023 0.000 1.123 208 L CA 0.460 55.315 54.840 0.024 0.000 0.856 208 L CB 0.049 42.120 42.059 0.019 0.000 0.985 208 L HN 0.274 nan 8.230 nan 0.000 0.456 209 K N 0.031 120.440 120.400 0.015 0.000 2.276 209 K HA 0.103 4.423 4.320 0.000 0.000 0.198 209 K C 0.282 176.891 176.600 0.015 0.000 1.052 209 K CA 0.508 56.803 56.287 0.013 0.000 0.984 209 K CB 0.213 32.718 32.500 0.007 0.000 0.836 209 K HN 0.405 nan 8.250 nan 0.000 0.490 210 D N -1.530 118.879 120.400 0.016 0.000 2.727 210 D HA 0.338 4.978 4.640 0.000 0.000 0.264 210 D C -0.508 175.806 176.300 0.023 0.000 1.101 210 D CA -0.817 53.194 54.000 0.018 0.000 1.122 210 D CB 0.435 41.243 40.800 0.014 0.000 1.390 210 D HN -0.137 nan 8.370 nan 0.000 0.606 211 A N -0.576 122.258 122.820 0.024 0.000 2.797 211 A HA 0.335 4.655 4.320 0.000 0.000 0.287 211 A C 0.934 178.540 177.584 0.038 0.000 1.369 211 A CA 0.208 52.264 52.037 0.031 0.000 0.968 211 A CB -1.210 17.807 19.000 0.029 0.000 1.069 211 A HN 0.562 nan 8.150 nan 0.000 0.571 212 T N -2.953 111.621 114.554 0.034 0.000 3.163 212 T HA 0.178 4.528 4.350 0.000 0.000 0.252 212 T C 0.554 175.283 174.700 0.049 0.000 1.056 212 T CA 0.067 62.188 62.100 0.036 0.000 0.947 212 T CB -0.349 68.531 68.868 0.020 0.000 1.016 212 T HN 0.155 nan 8.240 nan 0.000 0.554 213 S N 1.760 117.494 115.700 0.058 0.000 2.533 213 S HA 0.247 4.717 4.470 0.000 0.000 0.282 213 S C 0.793 175.460 174.600 0.112 0.000 1.304 213 S CA -0.379 57.865 58.200 0.073 0.000 1.063 213 S CB 0.853 64.096 63.200 0.070 0.000 0.881 213 S HN 0.413 nan 8.310 nan 0.000 0.493 214 K N 1.967 122.439 120.400 0.120 0.000 2.478 214 K HA 0.308 4.628 4.320 0.000 0.000 0.205 214 K C -1.131 175.591 176.600 0.202 0.000 1.033 214 K CA 0.091 56.484 56.287 0.177 0.000 1.091 214 K CB 0.576 33.135 32.500 0.098 0.000 0.844 214 K HN 0.382 nan 8.250 nan 0.000 0.507 215 V N 0.935 120.951 119.914 0.170 0.000 2.655 215 V HA 0.406 4.526 4.120 0.000 0.000 0.301 215 V C -0.792 175.410 176.094 0.180 0.000 1.082 215 V CA -1.213 61.202 62.300 0.193 0.000 0.899 215 V CB 1.561 33.492 31.823 0.180 0.000 1.014 215 V HN 0.139 nan 8.190 nan 0.000 0.429 216 A N 5.556 128.500 122.820 0.206 0.000 2.303 216 A HA 0.968 5.288 4.320 0.000 0.000 0.317 216 A C -0.804 176.889 177.584 0.181 0.000 1.149 216 A CA -0.456 51.689 52.037 0.181 0.000 0.822 216 A CB 0.821 19.941 19.000 0.199 0.000 1.131 216 A HN 0.814 nan 8.150 nan 0.000 0.493 217 L N 1.674 122.990 121.223 0.154 0.000 2.362 217 L HA 0.698 5.038 4.340 0.000 0.000 0.271 217 L C -0.957 175.972 176.870 0.097 0.000 1.002 217 L CA -0.899 54.043 54.840 0.170 0.000 0.818 217 L CB 2.141 44.366 42.059 0.276 0.000 1.298 217 L HN 0.417 nan 8.230 nan 0.000 0.420 218 V N 1.797 121.689 119.914 -0.036 0.000 2.638 218 V HA 0.506 4.626 4.120 0.000 0.000 0.306 218 V C -1.411 174.534 176.094 -0.248 0.000 1.052 218 V CA -0.722 61.543 62.300 -0.058 0.000 0.885 218 V CB 1.991 33.766 31.823 -0.080 0.000 0.999 218 V HN 0.457 nan 8.190 nan 0.000 0.424 219 Y N 1.222 121.535 120.300 0.023 0.000 2.457 219 Y HA 0.731 5.281 4.550 0.000 0.000 0.343 219 Y C 0.535 176.443 175.900 0.012 0.000 0.994 219 Y CA -0.596 57.523 58.100 0.030 0.000 1.031 219 Y CB 2.843 41.311 38.460 0.013 0.000 1.246 219 Y HN 0.730 nan 8.280 nan 0.000 0.449 220 G N 3.579 112.473 108.800 0.157 0.000 4.184 220 G HA2 0.229 4.189 3.960 0.000 0.000 0.282 220 G HA3 0.229 4.189 3.960 0.000 0.000 0.282 220 G C -0.851 174.111 174.900 0.102 0.000 1.223 220 G CA -0.582 44.576 45.100 0.097 0.000 0.773 220 G HN 0.318 nan 8.290 nan 0.000 0.519 221 Q N 0.542 120.424 119.800 0.136 0.000 2.584 221 Q HA 0.205 4.545 4.340 0.000 0.000 0.218 221 Q C 1.822 177.859 176.000 0.062 0.000 1.079 221 Q CA -0.346 55.525 55.803 0.113 0.000 1.008 221 Q CB 0.728 29.537 28.738 0.118 0.000 1.267 221 Q HN 0.456 nan 8.270 nan 0.000 0.586 222 M N 0.767 120.398 119.600 0.051 0.000 2.530 222 M HA -0.196 4.284 4.480 0.000 0.000 0.261 222 M C 1.148 177.460 176.300 0.021 0.000 1.067 222 M CA 1.411 56.728 55.300 0.029 0.000 1.071 222 M CB -0.569 32.047 32.600 0.026 0.000 1.405 222 M HN 0.599 nan 8.290 nan 0.000 0.478 223 N N -0.566 118.148 118.700 0.023 0.000 2.322 223 N HA 0.039 4.779 4.740 0.000 0.000 0.194 223 N C -0.191 175.327 175.510 0.015 0.000 1.126 223 N CA -0.222 52.838 53.050 0.016 0.000 0.845 223 N CB 0.296 38.791 38.487 0.013 0.000 0.976 223 N HN 0.160 nan 8.380 nan 0.000 0.475 224 E N 1.571 121.781 120.200 0.018 0.000 2.250 224 E HA 0.353 4.703 4.350 0.000 0.000 0.269 224 E C -2.416 174.189 176.600 0.007 0.000 1.018 224 E CA -2.196 54.213 56.400 0.015 0.000 0.873 224 E CB 0.826 30.539 29.700 0.022 0.000 1.134 224 E HN 0.099 nan 8.360 nan 0.000 0.403 225 P HA 0.096 nan 4.420 nan 0.000 0.275 225 P C -1.875 175.422 177.300 -0.005 0.000 1.228 225 P CA -1.129 61.971 63.100 0.000 0.000 0.786 225 P CB 0.079 31.781 31.700 0.003 0.000 0.927 226 P HA -0.321 nan 4.420 nan 0.000 0.219 226 P C 1.543 178.830 177.300 -0.022 0.000 1.161 226 P CA 2.471 65.553 63.100 -0.029 0.000 0.909 226 P CB -0.741 30.938 31.700 -0.036 0.000 0.793 227 G N 0.392 109.187 108.800 -0.008 0.000 2.529 227 G HA2 -0.312 3.648 3.960 0.000 0.000 0.219 227 G HA3 -0.312 3.648 3.960 0.000 0.000 0.219 227 G C 1.874 176.784 174.900 0.017 0.000 1.177 227 G CA 1.780 46.884 45.100 0.007 0.000 0.773 227 G HN 0.445 nan 8.290 nan 0.000 0.573 228 A N 0.448 123.278 122.820 0.016 0.000 1.902 228 A HA -0.025 4.295 4.320 0.000 0.000 0.217 228 A C 2.443 180.041 177.584 0.024 0.000 1.181 228 A CA 1.732 53.782 52.037 0.022 0.000 0.623 228 A CB -0.403 18.610 19.000 0.022 0.000 0.818 228 A HN 0.375 nan 8.150 nan 0.000 0.443 229 R N -0.761 119.747 120.500 0.013 0.000 2.148 229 R HA -0.009 4.331 4.340 0.000 0.000 0.227 229 R C 2.128 178.447 176.300 0.032 0.000 1.103 229 R CA 0.932 57.039 56.100 0.011 0.000 0.983 229 R CB -0.299 29.993 30.300 -0.014 0.000 0.874 229 R HN 0.507 nan 8.270 nan 0.000 0.451 230 A N 0.334 123.167 122.820 0.022 0.000 2.206 230 A HA 0.005 4.325 4.320 0.000 0.000 0.211 230 A C 1.665 179.369 177.584 0.200 0.000 1.158 230 A CA 0.676 52.744 52.037 0.052 0.000 0.761 230 A CB 0.145 19.120 19.000 -0.041 0.000 0.801 230 A HN 0.069 nan 8.150 nan 0.000 0.473 231 R N -1.143 119.423 120.500 0.109 0.000 2.310 231 R HA 0.065 4.405 4.340 0.000 0.000 0.199 231 R C 1.929 178.228 176.300 -0.002 0.000 0.891 231 R CA 1.253 57.388 56.100 0.059 0.000 1.060 231 R CB -0.869 29.451 30.300 0.033 0.000 1.188 231 R HN 0.426 nan 8.270 nan 0.000 0.607 232 V N 0.705 120.619 119.914 -0.000 0.000 2.277 232 V HA -0.269 3.851 4.120 0.000 0.000 0.253 232 V C 2.482 178.526 176.094 -0.084 0.000 1.067 232 V CA 2.204 64.481 62.300 -0.037 0.000 1.047 232 V CB -1.515 30.289 31.823 -0.030 0.000 0.649 232 V HN 0.201 nan 8.190 nan 0.000 0.447 233 A N 0.654 123.421 122.820 -0.088 0.000 1.948 233 A HA -0.134 4.186 4.320 0.000 0.000 0.220 233 A C 2.282 179.748 177.584 -0.198 0.000 1.177 233 A CA 2.363 54.300 52.037 -0.168 0.000 0.636 233 A CB -0.640 18.221 19.000 -0.233 0.000 0.815 233 A HN 0.589 nan 8.150 nan 0.000 0.449 234 L N -1.152 119.959 121.223 -0.186 0.000 2.017 234 L HA -0.162 4.178 4.340 0.000 0.000 0.208 234 L C 2.833 179.594 176.870 -0.181 0.000 1.073 234 L CA 1.892 56.602 54.840 -0.217 0.000 0.745 234 L CB -1.277 40.621 42.059 -0.268 0.000 0.894 234 L HN 0.349 nan 8.230 nan 0.000 0.432 235 T N -0.026 114.441 114.554 -0.144 0.000 2.665 235 T HA -0.173 4.177 4.350 0.000 0.000 0.268 235 T C 1.818 176.444 174.700 -0.123 0.000 1.035 235 T CA 1.550 63.578 62.100 -0.119 0.000 1.151 235 T CB -0.663 68.155 68.868 -0.083 0.000 0.862 235 T HN 0.579 nan 8.240 nan 0.000 0.438 236 G N 1.596 110.320 108.800 -0.127 0.000 2.459 236 G HA2 -0.199 3.761 3.960 0.000 0.000 0.217 236 G HA3 -0.199 3.761 3.960 0.000 0.000 0.217 236 G C 1.554 176.377 174.900 -0.128 0.000 1.183 236 G CA 1.168 46.192 45.100 -0.126 0.000 0.776 236 G HN 0.482 nan 8.290 nan 0.000 0.552 237 L N 0.807 121.939 121.223 -0.152 0.000 2.079 237 L HA -0.025 4.315 4.340 0.000 0.000 0.210 237 L C 2.773 179.564 176.870 -0.132 0.000 1.081 237 L CA 2.806 57.556 54.840 -0.149 0.000 0.752 237 L CB -0.973 40.978 42.059 -0.180 0.000 0.896 237 L HN 0.187 nan 8.230 nan 0.000 0.433 238 T N -0.893 113.577 114.554 -0.140 0.000 2.746 238 T HA -0.154 4.196 4.350 0.000 0.000 0.267 238 T C 1.975 176.582 174.700 -0.155 0.000 1.039 238 T CA 1.597 63.618 62.100 -0.132 0.000 1.142 238 T CB -0.428 68.362 68.868 -0.130 0.000 0.866 238 T HN 0.232 nan 8.240 nan 0.000 0.444 239 V N 1.796 121.604 119.914 -0.177 0.000 2.255 239 V HA -0.216 3.904 4.120 0.000 0.000 0.247 239 V C 2.912 178.825 176.094 -0.303 0.000 1.051 239 V CA 1.857 63.996 62.300 -0.269 0.000 1.018 239 V CB -1.252 30.459 31.823 -0.186 0.000 0.641 239 V HN 0.543 nan 8.190 nan 0.000 0.445 240 A N -0.341 122.404 122.820 -0.125 0.000 1.908 240 A HA -0.277 4.043 4.320 0.000 0.000 0.218 240 A C 2.116 179.678 177.584 -0.037 0.000 1.181 240 A CA 2.035 54.063 52.037 -0.014 0.000 0.627 240 A CB -0.553 18.445 19.000 -0.002 0.000 0.818 240 A HN 0.667 nan 8.150 nan 0.000 0.445 241 E N -1.755 118.400 120.200 -0.075 0.000 2.204 241 E HA -0.215 4.135 4.350 0.000 0.000 0.195 241 E C 1.740 178.305 176.600 -0.059 0.000 0.990 241 E CA 1.330 57.696 56.400 -0.056 0.000 0.821 241 E CB -0.328 29.335 29.700 -0.061 0.000 0.750 241 E HN 0.844 nan 8.360 nan 0.000 0.477 242 Y N 0.683 120.832 120.300 -0.252 0.000 2.114 242 Y HA -0.259 4.291 4.550 -0.000 0.000 0.284 242 Y C 1.735 177.547 175.900 -0.146 0.000 1.143 242 Y CA 1.581 59.513 58.100 -0.280 0.000 1.135 242 Y CB -0.290 37.872 38.460 -0.498 0.000 0.980 242 Y HN -0.076 nan 8.280 nan 0.000 0.499 243 F N 0.624 120.617 119.950 0.071 0.000 2.333 243 F HA -0.100 4.427 4.527 0.000 0.000 0.300 243 F C 2.625 178.398 175.800 -0.045 0.000 1.083 243 F CA 1.475 59.477 58.000 0.003 0.000 1.395 243 F CB -0.862 38.247 39.000 0.182 0.000 1.056 243 F HN 0.104 nan 8.300 nan 0.000 0.529 244 R N 0.245 120.798 120.500 0.089 0.000 2.062 244 R HA -0.088 4.252 4.340 0.000 0.000 0.226 244 R C 1.464 177.745 176.300 -0.030 0.000 1.125 244 R CA 1.684 57.806 56.100 0.038 0.000 0.966 244 R CB -0.101 30.207 30.300 0.014 0.000 0.861 244 R HN 0.112 nan 8.270 nan 0.000 0.433 245 D N -0.041 120.306 120.400 -0.089 0.000 2.355 245 D HA -0.057 4.583 4.640 0.000 0.000 0.233 245 D C 1.975 178.176 176.300 -0.165 0.000 0.997 245 D CA 0.666 54.603 54.000 -0.105 0.000 0.920 245 D CB -0.341 40.407 40.800 -0.086 0.000 1.063 245 D HN 0.080 nan 8.370 nan 0.000 0.465 246 Q N 0.612 120.222 119.800 -0.316 0.000 2.364 246 Q HA -0.061 4.279 4.340 0.000 0.000 0.209 246 Q C 1.300 177.089 176.000 -0.351 0.000 0.977 246 Q CA 0.960 56.526 55.803 -0.396 0.000 0.885 246 Q CB 0.092 28.415 28.738 -0.691 0.000 0.941 246 Q HN 0.557 nan 8.270 nan 0.000 0.464 247 E N -1.676 118.350 120.200 -0.289 0.000 2.421 247 E HA 0.193 4.543 4.350 0.000 0.000 0.209 247 E C 0.716 177.304 176.600 -0.021 0.000 0.871 247 E CA 0.423 56.770 56.400 -0.087 0.000 1.064 247 E CB 0.842 30.571 29.700 0.048 0.000 1.075 247 E HN 0.337 nan 8.360 nan 0.000 0.513 248 G N 2.441 111.225 108.800 -0.026 0.000 2.143 248 G HA2 -0.316 3.644 3.960 0.000 0.000 0.249 248 G HA3 -0.316 3.644 3.960 0.000 0.000 0.249 248 G C 0.180 175.093 174.900 0.023 0.000 0.981 248 G CA 0.575 45.671 45.100 -0.006 0.000 0.665 248 G HN 0.221 nan 8.290 nan 0.000 0.528 249 Q N -0.383 119.458 119.800 0.068 0.000 2.407 249 Q HA 0.436 4.776 4.340 0.000 0.000 0.214 249 Q C -0.549 175.496 176.000 0.074 0.000 1.043 249 Q CA -0.434 55.408 55.803 0.065 0.000 0.983 249 Q CB 0.381 29.179 28.738 0.101 0.000 1.211 249 Q HN 0.217 nan 8.270 nan 0.000 0.564 250 D N 0.801 121.237 120.400 0.060 0.000 2.380 250 D HA 0.226 4.866 4.640 0.000 0.000 0.230 250 D C -1.134 175.289 176.300 0.205 0.000 1.154 250 D CA -0.004 54.067 54.000 0.118 0.000 0.859 250 D CB 0.814 41.707 40.800 0.154 0.000 1.045 250 D HN 0.099 nan 8.370 nan 0.000 0.495 251 V N 2.885 122.872 119.914 0.122 0.000 2.716 251 V HA 0.437 4.557 4.120 0.000 0.000 0.304 251 V C 0.351 176.386 176.094 -0.098 0.000 1.053 251 V CA -0.899 61.462 62.300 0.101 0.000 0.984 251 V CB 1.684 33.599 31.823 0.153 0.000 1.021 251 V HN 0.344 nan 8.190 nan 0.000 0.467 252 L N 4.043 125.159 121.223 -0.178 0.000 2.325 252 L HA 0.503 4.843 4.340 0.000 0.000 0.281 252 L C -1.110 175.525 176.870 -0.392 0.000 1.004 252 L CA -0.578 54.017 54.840 -0.409 0.000 0.823 252 L CB 1.690 43.454 42.059 -0.493 0.000 1.236 252 L HN 0.424 nan 8.230 nan 0.000 0.415 253 L N 4.398 125.316 121.223 -0.508 0.000 2.305 253 L HA 0.586 4.926 4.340 0.000 0.000 0.284 253 L C -1.188 175.344 176.870 -0.564 0.000 1.013 253 L CA -0.013 54.597 54.840 -0.384 0.000 0.819 253 L CB 1.007 42.915 42.059 -0.252 0.000 1.227 253 L HN 0.179 nan 8.230 nan 0.000 0.417 254 F N 5.968 125.821 119.950 -0.163 0.000 2.444 254 F HA 0.618 5.145 4.527 -0.000 0.000 0.342 254 F C 0.009 175.459 175.800 -0.583 0.000 1.121 254 F CA -0.506 57.318 58.000 -0.293 0.000 0.997 254 F CB 1.443 40.356 39.000 -0.146 0.000 1.130 254 F HN 0.223 nan 8.300 nan 0.000 0.454 255 I N 2.673 123.053 120.570 -0.317 0.000 2.466 255 I HA 0.348 4.518 4.170 0.000 0.000 0.289 255 I C -1.426 174.515 176.117 -0.294 0.000 1.026 255 I CA -0.543 60.529 61.300 -0.379 0.000 1.078 255 I CB 2.156 40.002 38.000 -0.256 0.000 1.249 255 I HN 0.440 nan 8.210 nan 0.000 0.429 256 D N 5.901 126.116 120.400 -0.308 0.000 2.478 256 D HA 0.241 4.881 4.640 0.000 0.000 0.240 256 D C -1.476 174.811 176.300 -0.021 0.000 1.364 256 D CA -0.316 53.630 54.000 -0.090 0.000 0.987 256 D CB 1.157 41.964 40.800 0.011 0.000 1.328 256 D HN 0.399 nan 8.370 nan 0.000 0.584 257 N N 4.451 123.161 118.700 0.017 0.000 2.346 257 N HA 0.179 4.919 4.740 0.000 0.000 0.289 257 N C 0.599 176.139 175.510 0.049 0.000 1.027 257 N CA -0.520 52.557 53.050 0.044 0.000 0.864 257 N CB 1.599 40.163 38.487 0.127 0.000 1.370 257 N HN 0.327 nan 8.380 nan 0.000 0.481 258 I N 3.947 124.522 120.570 0.009 0.000 2.530 258 I HA -0.145 4.025 4.170 0.000 0.000 0.257 258 I C 1.730 177.919 176.117 0.122 0.000 1.179 258 I CA 0.762 62.071 61.300 0.015 0.000 1.440 258 I CB -0.649 37.307 38.000 -0.073 0.000 1.087 258 I HN 0.622 nan 8.210 nan 0.000 0.440 259 F N 1.667 121.647 119.950 0.050 0.000 2.126 259 F HA -0.261 4.266 4.527 -0.000 0.000 0.299 259 F C 2.353 178.223 175.800 0.117 0.000 1.096 259 F CA 1.569 59.635 58.000 0.111 0.000 1.255 259 F CB -0.454 38.661 39.000 0.192 0.000 0.997 259 F HN -0.009 nan 8.300 nan 0.000 0.479 260 R N 0.204 120.644 120.500 -0.100 0.000 2.170 260 R HA -0.249 4.091 4.340 0.000 0.000 0.242 260 R C 2.183 178.376 176.300 -0.179 0.000 1.145 260 R CA 1.670 57.643 56.100 -0.211 0.000 0.984 260 R CB -2.023 28.259 30.300 -0.030 0.000 0.869 260 R HN 0.543 nan 8.270 nan 0.000 0.455 261 F N 1.599 121.429 119.950 -0.200 0.000 2.146 261 F HA -0.139 4.389 4.527 0.000 0.000 0.298 261 F C 1.896 177.595 175.800 -0.167 0.000 1.096 261 F CA 1.609 59.518 58.000 -0.150 0.000 1.275 261 F CB -0.392 38.538 39.000 -0.116 0.000 1.008 261 F HN -0.133 nan 8.300 nan 0.000 0.480 262 T N 0.140 114.464 114.554 -0.383 0.000 2.942 262 T HA -0.165 4.185 4.350 0.000 0.000 0.265 262 T C 1.879 176.343 174.700 -0.394 0.000 1.062 262 T CA 1.309 63.147 62.100 -0.436 0.000 1.139 262 T CB -0.264 68.506 68.868 -0.163 0.000 0.883 262 T HN 0.461 nan 8.240 nan 0.000 0.468 263 Q N 0.534 119.972 119.800 -0.602 0.000 2.172 263 Q HA 0.003 4.343 4.340 0.000 0.000 0.200 263 Q C 2.474 178.320 176.000 -0.258 0.000 0.964 263 Q CA 1.054 56.594 55.803 -0.439 0.000 0.855 263 Q CB -0.208 28.140 28.738 -0.651 0.000 0.918 263 Q HN 0.515 nan 8.270 nan 0.000 0.444 264 A N 0.784 123.435 122.820 -0.281 0.000 1.865 264 A HA -0.165 4.156 4.320 0.000 0.000 0.217 264 A C 2.272 179.742 177.584 -0.189 0.000 1.191 264 A CA 1.862 53.783 52.037 -0.194 0.000 0.623 264 A CB -1.472 17.426 19.000 -0.169 0.000 0.826 264 A HN 0.588 nan 8.150 nan 0.000 0.444 265 G N -0.408 108.224 108.800 -0.280 0.000 2.418 265 G HA2 -0.234 3.726 3.960 0.000 0.000 0.217 265 G HA3 -0.234 3.726 3.960 0.000 0.000 0.217 265 G C 2.002 176.827 174.900 -0.125 0.000 1.158 265 G CA 1.936 46.901 45.100 -0.225 0.000 0.771 265 G HN 0.938 nan 8.290 nan 0.000 0.545 266 S N 0.799 116.439 115.700 -0.100 0.000 2.419 266 S HA -0.093 4.377 4.470 0.000 0.000 0.233 266 S C 1.990 176.550 174.600 -0.065 0.000 1.016 266 S CA 1.713 59.884 58.200 -0.049 0.000 0.974 266 S CB -0.368 62.818 63.200 -0.023 0.000 0.786 266 S HN 0.610 nan 8.310 nan 0.000 0.492 267 E N 0.777 120.931 120.200 -0.076 0.000 2.268 267 E HA -0.046 4.304 4.350 0.000 0.000 0.195 267 E C 2.009 178.582 176.600 -0.046 0.000 0.995 267 E CA 1.357 57.722 56.400 -0.058 0.000 0.836 267 E CB -0.178 29.489 29.700 -0.055 0.000 0.763 267 E HN 0.751 nan 8.360 nan 0.000 0.491 268 V N -2.903 116.982 119.914 -0.048 0.000 3.621 268 V HA 0.117 4.237 4.120 0.000 0.000 0.263 268 V C 2.143 178.220 176.094 -0.027 0.000 1.272 268 V CA 0.487 62.767 62.300 -0.033 0.000 1.080 268 V CB 0.656 32.461 31.823 -0.031 0.000 0.816 268 V HN 0.046 nan 8.190 nan 0.000 0.451 269 S N 1.815 117.495 115.700 -0.033 0.000 2.390 269 S HA -0.330 4.140 4.470 0.000 0.000 0.234 269 S C 2.185 176.776 174.600 -0.014 0.000 1.063 269 S CA 2.851 61.037 58.200 -0.022 0.000 1.108 269 S CB -0.615 62.574 63.200 -0.018 0.000 0.975 269 S HN 1.068 nan 8.310 nan 0.000 0.442 270 A N 1.254 124.064 122.820 -0.016 0.000 1.877 270 A HA 0.036 4.356 4.320 0.000 0.000 0.216 270 A C 2.120 179.699 177.584 -0.008 0.000 1.186 270 A CA 1.563 53.593 52.037 -0.011 0.000 0.620 270 A CB -0.837 18.154 19.000 -0.014 0.000 0.822 270 A HN 0.607 nan 8.150 nan 0.000 0.443 271 L N -0.670 120.547 121.223 -0.010 0.000 2.549 271 L HA -0.075 4.265 4.340 0.000 0.000 0.230 271 L C 1.565 178.434 176.870 -0.002 0.000 1.162 271 L CA 0.405 55.242 54.840 -0.006 0.000 0.834 271 L CB -0.463 41.592 42.059 -0.006 0.000 0.947 271 L HN 0.351 nan 8.230 nan 0.000 0.452 272 L N -0.228 120.994 121.223 -0.003 0.000 2.607 272 L HA 0.219 4.559 4.340 0.000 0.000 0.228 272 L C 1.114 177.987 176.870 0.004 0.000 1.123 272 L CA 0.081 54.922 54.840 0.002 0.000 0.890 272 L CB -0.084 41.974 42.059 -0.002 0.000 1.103 272 L HN 0.384 nan 8.230 nan 0.000 0.468 273 G N 1.519 110.320 108.800 0.003 0.000 2.326 273 G HA2 -0.252 3.708 3.960 0.000 0.000 0.286 273 G HA3 -0.252 3.708 3.960 0.000 0.000 0.286 273 G C -0.063 174.840 174.900 0.005 0.000 1.096 273 G CA -0.190 44.912 45.100 0.004 0.000 1.003 273 G HN 0.374 nan 8.290 nan 0.000 0.503 274 R N -0.833 119.669 120.500 0.004 0.000 2.670 274 R HA 0.598 4.938 4.340 0.000 0.000 0.289 274 R C 0.476 176.781 176.300 0.008 0.000 0.965 274 R CA -1.126 54.978 56.100 0.007 0.000 0.899 274 R CB 1.611 31.916 30.300 0.007 0.000 1.173 274 R HN 0.254 nan 8.270 nan 0.000 0.456 275 I N 4.285 124.861 120.570 0.011 0.000 2.556 275 I HA 0.085 4.255 4.170 0.000 0.000 0.284 275 I C -1.633 174.494 176.117 0.017 0.000 1.114 275 I CA -1.577 59.730 61.300 0.012 0.000 1.418 275 I CB 0.377 38.385 38.000 0.013 0.000 1.394 275 I HN 0.258 nan 8.210 nan 0.000 0.552 276 P HA 0.051 nan 4.420 nan 0.000 0.271 276 P C -0.281 177.042 177.300 0.038 0.000 1.218 276 P CA -0.175 62.938 63.100 0.022 0.000 0.780 276 P CB 1.130 32.835 31.700 0.008 0.000 0.901 277 S N 1.371 117.109 115.700 0.063 0.000 2.481 277 S HA 0.605 5.075 4.470 0.000 0.000 0.267 277 S C 0.271 174.925 174.600 0.090 0.000 1.174 277 S CA -0.242 58.005 58.200 0.077 0.000 1.027 277 S CB 0.027 63.287 63.200 0.101 0.000 1.117 277 S HN 0.600 nan 8.310 nan 0.000 0.495 278 A N -0.151 122.734 122.820 0.108 0.000 2.313 278 A HA 0.507 4.827 4.320 0.000 0.000 0.261 278 A C 0.940 178.628 177.584 0.173 0.000 1.090 278 A CA 0.134 52.237 52.037 0.111 0.000 0.807 278 A CB -0.401 18.656 19.000 0.096 0.000 1.055 278 A HN 1.600 nan 8.150 nan 0.000 0.492 279 V N -0.184 119.805 119.914 0.125 0.000 3.292 279 V HA -0.322 3.798 4.120 0.000 0.000 0.184 279 V C 1.765 177.815 176.094 -0.073 0.000 0.459 279 V CA 1.848 64.210 62.300 0.102 0.000 1.088 279 V CB -2.511 29.462 31.823 0.251 0.000 1.239 279 V HN 2.884 nan 8.190 nan 0.000 1.148 280 G N -2.852 105.910 108.800 -0.062 0.000 2.241 280 G HA2 -0.345 3.615 3.960 0.000 0.000 0.244 280 G HA3 -0.345 3.615 3.960 0.000 0.000 0.244 280 G C -0.006 174.779 174.900 -0.191 0.000 0.998 280 G CA 0.245 45.253 45.100 -0.153 0.000 0.621 280 G HN 0.838 nan 8.290 nan 0.000 0.519 281 Y N 2.574 122.900 120.300 0.043 0.000 2.546 281 Y HA 0.325 4.875 4.550 -0.000 0.000 0.351 281 Y C 1.558 177.466 175.900 0.014 0.000 1.266 281 Y CA 0.502 58.622 58.100 0.033 0.000 1.487 281 Y CB 0.364 38.856 38.460 0.052 0.000 1.365 281 Y HN 0.490 nan 8.280 nan 0.000 0.642 282 Q N 2.985 122.893 119.800 0.181 0.000 2.354 282 Q HA 0.157 4.497 4.340 0.000 0.000 0.244 282 Q C -2.283 173.772 176.000 0.091 0.000 0.969 282 Q CA -1.865 53.990 55.803 0.086 0.000 0.885 282 Q CB 0.926 29.690 28.738 0.044 0.000 1.241 282 Q HN 0.355 nan 8.270 nan 0.000 0.461 283 P HA -0.072 nan 4.420 nan 0.000 0.230 283 P C 0.874 178.201 177.300 0.045 0.000 1.158 283 P CA 1.231 64.363 63.100 0.053 0.000 0.769 283 P CB -0.026 31.696 31.700 0.037 0.000 0.807 284 T N -4.286 110.291 114.554 0.039 0.000 3.145 284 T HA 0.174 4.524 4.350 0.000 0.000 0.255 284 T C 1.487 176.211 174.700 0.040 0.000 1.039 284 T CA -0.376 61.745 62.100 0.034 0.000 0.928 284 T CB -0.924 67.958 68.868 0.023 0.000 1.029 284 T HN -0.066 nan 8.240 nan 0.000 0.554 285 L N 1.344 122.592 121.223 0.042 0.000 1.976 285 L HA -0.176 4.164 4.340 0.000 0.000 0.223 285 L C 2.857 179.763 176.870 0.060 0.000 1.081 285 L CA 2.318 57.178 54.840 0.032 0.000 0.784 285 L CB -0.841 41.224 42.059 0.009 0.000 0.896 285 L HN 0.410 nan 8.230 nan 0.000 0.438 286 A N -0.785 122.073 122.820 0.064 0.000 1.877 286 A HA -0.249 4.071 4.320 0.000 0.000 0.216 286 A C 2.321 179.970 177.584 0.109 0.000 1.186 286 A CA 2.585 54.680 52.037 0.096 0.000 0.620 286 A CB -1.314 17.734 19.000 0.080 0.000 0.822 286 A HN 0.690 nan 8.150 nan 0.000 0.443 287 T N -2.265 112.338 114.554 0.082 0.000 2.821 287 T HA -0.139 4.211 4.350 0.000 0.000 0.267 287 T C 1.399 176.156 174.700 0.094 0.000 1.046 287 T CA 1.449 63.596 62.100 0.078 0.000 1.139 287 T CB -0.500 68.401 68.868 0.055 0.000 0.871 287 T HN 0.338 nan 8.240 nan 0.000 0.454 288 D N 0.843 121.308 120.400 0.109 0.000 2.149 288 D HA -0.048 4.592 4.640 0.000 0.000 0.198 288 D C 1.925 178.390 176.300 0.275 0.000 0.990 288 D CA 1.032 55.138 54.000 0.177 0.000 0.839 288 D CB -0.340 40.529 40.800 0.115 0.000 0.948 288 D HN 0.425 nan 8.370 nan 0.000 0.460 289 M N -0.056 119.677 119.600 0.220 0.000 2.236 289 M HA -0.011 4.469 4.480 0.000 0.000 0.266 289 M C 1.986 178.258 176.300 -0.046 0.000 1.070 289 M CA 1.621 57.014 55.300 0.156 0.000 1.137 289 M CB -0.034 32.659 32.600 0.154 0.000 1.378 289 M HN -0.009 nan 8.290 nan 0.000 0.426 290 G N -0.123 108.702 108.800 0.043 0.000 2.433 290 G HA2 -0.262 3.698 3.960 0.000 0.000 0.216 290 G HA3 -0.262 3.698 3.960 0.000 0.000 0.216 290 G C 1.393 176.278 174.900 -0.024 0.000 1.186 290 G CA 1.537 46.658 45.100 0.035 0.000 0.779 290 G HN 0.585 nan 8.290 nan 0.000 0.543 291 T N -1.634 112.924 114.554 0.008 0.000 3.025 291 T HA 0.008 4.358 4.350 0.000 0.000 0.270 291 T C 2.119 176.781 174.700 -0.063 0.000 1.126 291 T CA 1.501 63.598 62.100 -0.005 0.000 1.105 291 T CB -0.047 68.839 68.868 0.029 0.000 0.884 291 T HN 0.295 nan 8.240 nan 0.000 0.522 292 M N -0.140 119.379 119.600 -0.135 0.000 2.369 292 M HA 0.067 4.547 4.480 0.000 0.000 0.254 292 M C 2.376 178.511 176.300 -0.275 0.000 1.136 292 M CA 0.729 55.875 55.300 -0.257 0.000 1.190 292 M CB -0.007 32.291 32.600 -0.503 0.000 1.289 292 M HN -0.006 nan 8.290 nan 0.000 0.468 293 Q N 0.898 120.484 119.800 -0.357 0.000 2.268 293 Q HA -0.202 4.138 4.340 0.000 0.000 0.210 293 Q C 1.590 177.458 176.000 -0.220 0.000 0.988 293 Q CA 1.413 56.981 55.803 -0.392 0.000 0.883 293 Q CB -0.481 27.742 28.738 -0.859 0.000 0.911 293 Q HN 0.589 nan 8.270 nan 0.000 0.430 294 E N 0.019 120.134 120.200 -0.142 0.000 2.418 294 E HA -0.089 4.261 4.350 0.000 0.000 0.197 294 E C 1.723 178.293 176.600 -0.050 0.000 1.026 294 E CA 0.375 56.749 56.400 -0.044 0.000 0.862 294 E CB 0.067 29.772 29.700 0.008 0.000 0.799 294 E HN 0.349 nan 8.360 nan 0.000 0.518 295 R N 0.007 120.455 120.500 -0.086 0.000 2.156 295 R HA 0.198 4.538 4.340 0.000 0.000 0.207 295 R C 1.111 177.357 176.300 -0.090 0.000 1.040 295 R CA 0.121 56.174 56.100 -0.079 0.000 1.013 295 R CB 0.233 30.476 30.300 -0.095 0.000 0.931 295 R HN 0.044 nan 8.270 nan 0.000 0.465 296 I N 2.188 122.687 120.570 -0.119 0.000 2.472 296 I HA -0.018 4.152 4.170 0.000 0.000 0.305 296 I C -0.016 176.049 176.117 -0.088 0.000 1.196 296 I CA 0.564 61.791 61.300 -0.122 0.000 1.613 296 I CB -0.132 37.773 38.000 -0.158 0.000 1.501 296 I HN 0.011 nan 8.210 nan 0.000 0.754 297 T N 2.836 117.349 114.554 -0.068 0.000 2.885 297 T HA 0.255 4.605 4.350 0.000 0.000 0.322 297 T C -0.339 174.336 174.700 -0.041 0.000 1.387 297 T CA -0.377 61.695 62.100 -0.048 0.000 1.041 297 T CB 1.660 70.511 68.868 -0.027 0.000 1.287 297 T HN 0.270 nan 8.240 nan 0.000 0.491 298 T N 3.279 117.812 114.554 -0.035 0.000 2.897 298 T HA 0.599 4.949 4.350 0.000 0.000 0.294 298 T C 0.549 175.232 174.700 -0.028 0.000 1.004 298 T CA -0.207 61.875 62.100 -0.030 0.000 1.106 298 T CB 0.856 69.708 68.868 -0.027 0.000 0.949 298 T HN 0.872 nan 8.240 nan 0.000 0.520 299 T N -0.111 114.426 114.554 -0.027 0.000 2.676 299 T HA 0.476 4.826 4.350 0.000 0.000 0.269 299 T C 0.926 175.607 174.700 -0.032 0.000 0.952 299 T CA -0.991 61.090 62.100 -0.032 0.000 1.040 299 T CB 1.313 70.163 68.868 -0.030 0.000 1.352 299 T HN 0.390 nan 8.240 nan 0.000 0.554 300 K N 0.064 120.443 120.400 -0.036 0.000 2.243 300 K HA 0.126 4.446 4.320 0.000 0.000 0.201 300 K C 2.191 178.775 176.600 -0.026 0.000 1.051 300 K CA 0.475 56.743 56.287 -0.033 0.000 0.970 300 K CB 0.008 32.485 32.500 -0.039 0.000 0.755 300 K HN 0.429 nan 8.250 nan 0.000 0.465 301 K N 0.537 120.921 120.400 -0.026 0.000 2.001 301 K HA -0.032 4.288 4.320 0.000 0.000 0.208 301 K C 1.227 177.816 176.600 -0.018 0.000 1.048 301 K CA 1.155 57.428 56.287 -0.024 0.000 0.932 301 K CB 0.079 32.561 32.500 -0.030 0.000 0.715 301 K HN 0.167 nan 8.250 nan 0.000 0.437 302 G N -0.560 108.232 108.800 -0.014 0.000 2.766 302 G HA2 0.383 4.343 3.960 0.000 0.000 0.288 302 G HA3 0.383 4.343 3.960 0.000 0.000 0.288 302 G C -1.602 173.298 174.900 -0.001 0.000 1.408 302 G CA -0.458 44.642 45.100 -0.000 0.000 0.852 302 G HN 0.014 nan 8.290 nan 0.000 0.487 303 S N -0.908 114.799 115.700 0.011 0.000 2.521 303 S HA 0.732 5.202 4.470 0.000 0.000 0.295 303 S C -0.791 173.806 174.600 -0.005 0.000 1.098 303 S CA -0.686 57.514 58.200 0.001 0.000 0.999 303 S CB 0.755 63.960 63.200 0.009 0.000 1.034 303 S HN 0.442 nan 8.310 nan 0.000 0.483 304 I N 3.247 123.797 120.570 -0.033 0.000 2.474 304 I HA 0.372 4.542 4.170 0.000 0.000 0.294 304 I C -0.451 175.603 176.117 -0.104 0.000 1.005 304 I CA -0.588 60.673 61.300 -0.065 0.000 1.113 304 I CB 2.506 40.464 38.000 -0.070 0.000 1.289 304 I HN 0.518 nan 8.210 nan 0.000 0.436 305 T N 3.499 117.953 114.554 -0.166 0.000 3.060 305 T HA 0.246 4.596 4.350 0.000 0.000 0.367 305 T C -0.189 174.324 174.700 -0.311 0.000 1.229 305 T CA -0.652 61.327 62.100 -0.202 0.000 1.104 305 T CB 0.521 69.271 68.868 -0.197 0.000 1.083 305 T HN 0.600 nan 8.240 nan 0.000 0.524 306 S N 1.919 117.460 115.700 -0.264 0.000 2.499 306 S HA 0.593 5.063 4.470 0.000 0.000 0.279 306 S C 0.026 174.446 174.600 -0.300 0.000 1.219 306 S CA -0.835 57.185 58.200 -0.300 0.000 1.062 306 S CB 1.273 64.343 63.200 -0.217 0.000 0.978 306 S HN 0.385 nan 8.310 nan 0.000 0.489 307 V N 3.868 123.589 119.914 -0.321 0.000 2.326 307 V HA 0.351 4.471 4.120 0.000 0.000 0.281 307 V C -0.351 175.673 176.094 -0.117 0.000 1.015 307 V CA -0.482 61.709 62.300 -0.182 0.000 0.823 307 V CB 0.928 32.765 31.823 0.024 0.000 1.009 307 V HN 0.902 nan 8.190 nan 0.000 0.436 308 Q N 3.100 122.807 119.800 -0.154 0.000 2.322 308 Q HA 0.742 5.082 4.340 0.000 0.000 0.265 308 Q C -0.140 175.771 176.000 -0.149 0.000 0.985 308 Q CA -0.523 55.185 55.803 -0.158 0.000 0.849 308 Q CB 2.568 31.189 28.738 -0.195 0.000 1.274 308 Q HN 0.843 nan 8.270 nan 0.000 0.449 309 A N 3.572 126.334 122.820 -0.096 0.000 2.363 309 A HA 0.576 4.896 4.320 0.000 0.000 0.270 309 A C -0.424 177.095 177.584 -0.107 0.000 1.121 309 A CA -0.281 51.718 52.037 -0.064 0.000 0.800 309 A CB 0.212 19.223 19.000 0.019 0.000 1.052 309 A HN 0.754 nan 8.150 nan 0.000 0.493 310 I N 2.569 123.027 120.570 -0.186 0.000 2.468 310 I HA 0.172 4.342 4.170 0.000 0.000 0.284 310 I C -0.781 175.291 176.117 -0.075 0.000 1.038 310 I CA -0.479 60.683 61.300 -0.229 0.000 1.083 310 I CB 1.303 38.841 38.000 -0.769 0.000 1.223 310 I HN 0.753 nan 8.210 nan 0.000 0.443 311 Y N 7.133 127.391 120.300 -0.069 0.000 2.397 311 Y HA 0.372 4.922 4.550 -0.000 0.000 0.335 311 Y C -0.359 175.361 175.900 -0.300 0.000 1.213 311 Y CA -0.039 57.956 58.100 -0.175 0.000 1.391 311 Y CB 0.958 39.260 38.460 -0.264 0.000 1.293 311 Y HN 0.263 nan 8.280 nan 0.000 0.557 312 V N 8.697 128.034 119.914 -0.962 0.000 2.305 312 V HA 0.277 4.398 4.120 0.000 0.000 0.275 312 V C -2.303 173.201 176.094 -0.984 0.000 1.020 312 V CA -2.084 59.804 62.300 -0.688 0.000 0.811 312 V CB 0.917 32.591 31.823 -0.248 0.000 1.031 312 V HN 0.719 nan 8.190 nan 0.000 0.439 313 P HA 0.060 nan 4.420 nan 0.000 0.262 313 P C 0.773 177.956 177.300 -0.194 0.000 1.182 313 P CA 0.997 63.853 63.100 -0.406 0.000 0.761 313 P CB 0.632 32.310 31.700 -0.036 0.000 0.795 314 A N 3.602 126.366 122.820 -0.094 0.000 2.799 314 A HA -0.287 4.033 4.320 0.000 0.000 0.274 314 A C 1.064 178.605 177.584 -0.072 0.000 1.393 314 A CA 1.475 53.487 52.037 -0.041 0.000 0.909 314 A CB -2.524 16.475 19.000 -0.003 0.000 1.012 314 A HN 0.590 nan 8.150 nan 0.000 0.653 315 D N -1.885 118.431 120.400 -0.140 0.000 3.046 315 D HA -0.169 4.471 4.640 0.000 0.000 0.210 315 D C -0.182 176.076 176.300 -0.070 0.000 1.124 315 D CA 1.944 55.881 54.000 -0.106 0.000 0.986 315 D CB -1.143 39.623 40.800 -0.056 0.000 1.118 315 D HN 0.897 nan 8.370 nan 0.000 0.416 316 D N 0.416 120.778 120.400 -0.063 0.000 2.422 316 D HA 0.181 4.821 4.640 0.000 0.000 0.227 316 D C 1.544 177.841 176.300 -0.005 0.000 1.190 316 D CA -0.298 53.687 54.000 -0.025 0.000 0.905 316 D CB 0.181 40.980 40.800 -0.002 0.000 1.034 316 D HN 0.153 nan 8.370 nan 0.000 0.507 317 L N 2.680 123.906 121.223 0.004 0.000 2.447 317 L HA -0.162 4.178 4.340 0.000 0.000 0.225 317 L C 2.282 179.186 176.870 0.057 0.000 1.148 317 L CA 1.398 56.270 54.840 0.053 0.000 0.808 317 L CB -0.295 41.778 42.059 0.024 0.000 0.928 317 L HN 0.472 nan 8.230 nan 0.000 0.448 318 T N -5.148 109.416 114.554 0.018 0.000 3.100 318 T HA -0.051 4.299 4.350 0.000 0.000 0.253 318 T C 0.812 175.545 174.700 0.054 0.000 1.118 318 T CA -0.430 61.679 62.100 0.014 0.000 1.058 318 T CB -0.291 68.572 68.868 -0.009 0.000 0.953 318 T HN 0.210 nan 8.240 nan 0.000 0.515 319 D N 3.171 123.616 120.400 0.074 0.000 2.583 319 D HA -0.020 4.620 4.640 0.000 0.000 0.232 319 D C -1.305 175.037 176.300 0.070 0.000 1.128 319 D CA -1.076 52.992 54.000 0.113 0.000 0.859 319 D CB 1.287 42.162 40.800 0.126 0.000 1.169 319 D HN 0.042 nan 8.370 nan 0.000 0.481 320 P HA -0.244 nan 4.420 nan 0.000 0.219 320 P C 0.789 177.976 177.300 -0.189 0.000 1.153 320 P CA 2.036 65.070 63.100 -0.110 0.000 0.865 320 P CB 0.114 31.701 31.700 -0.188 0.000 0.788 321 A N -0.436 122.219 122.820 -0.275 0.000 1.832 321 A HA -0.046 4.274 4.320 0.000 0.000 0.214 321 A C -0.067 177.601 177.584 0.139 0.000 1.204 321 A CA 1.833 53.830 52.037 -0.065 0.000 0.606 321 A CB -2.065 16.999 19.000 0.108 0.000 0.849 321 A HN 0.194 nan 8.150 nan 0.000 0.445 322 P HA -0.171 nan 4.420 nan 0.000 0.215 322 P C 1.705 179.293 177.300 0.480 0.000 1.157 322 P CA 2.246 65.556 63.100 0.351 0.000 0.868 322 P CB -0.283 31.626 31.700 0.348 0.000 0.788 323 A N -0.356 122.691 122.820 0.379 0.000 1.892 323 A HA -0.219 4.101 4.320 0.000 0.000 0.218 323 A C 2.335 180.123 177.584 0.339 0.000 1.188 323 A CA 2.851 55.102 52.037 0.357 0.000 0.631 323 A CB -2.076 17.005 19.000 0.135 0.000 0.822 323 A HN 0.220 nan 8.150 nan 0.000 0.447 324 T N -0.335 114.345 114.554 0.211 0.000 2.962 324 T HA -0.057 4.293 4.350 0.000 0.000 0.270 324 T C 1.697 176.542 174.700 0.242 0.000 1.088 324 T CA 1.704 63.909 62.100 0.174 0.000 1.127 324 T CB -0.336 68.600 68.868 0.113 0.000 0.883 324 T HN 0.606 nan 8.240 nan 0.000 0.493 325 T N 1.212 115.942 114.554 0.293 0.000 3.043 325 T HA 0.146 4.496 4.350 0.000 0.000 0.263 325 T C 1.438 176.301 174.700 0.272 0.000 1.094 325 T CA 0.194 62.462 62.100 0.281 0.000 1.127 325 T CB -0.339 68.596 68.868 0.111 0.000 0.905 325 T HN 0.311 nan 8.240 nan 0.000 0.490 326 F N 2.395 122.514 119.950 0.283 0.000 2.091 326 F HA -0.137 4.390 4.527 0.000 0.000 0.299 326 F C 2.704 178.544 175.800 0.067 0.000 1.103 326 F CA 1.149 59.267 58.000 0.197 0.000 1.228 326 F CB -0.706 38.309 39.000 0.024 0.000 0.984 326 F HN 0.160 nan 8.300 nan 0.000 0.477 327 A N -1.231 121.667 122.820 0.129 0.000 2.076 327 A HA -0.201 4.119 4.320 0.000 0.000 0.220 327 A C 1.609 179.089 177.584 -0.174 0.000 1.160 327 A CA 1.513 53.507 52.037 -0.072 0.000 0.653 327 A CB -0.950 17.920 19.000 -0.217 0.000 0.801 327 A HN 0.488 nan 8.150 nan 0.000 0.455 328 H N -1.147 117.975 119.070 0.087 0.000 2.533 328 H HA 0.334 4.890 4.556 -0.000 0.000 0.271 328 H C -0.128 175.212 175.328 0.021 0.000 1.000 328 H CA 0.257 56.327 56.048 0.037 0.000 1.149 328 H CB -0.134 29.631 29.762 0.005 0.000 1.375 328 H HN 0.363 nan 8.280 nan 0.000 0.582 329 L N 0.003 121.296 121.223 0.118 0.000 2.319 329 L HA 0.250 4.590 4.340 0.000 0.000 0.267 329 L C 0.836 177.747 176.870 0.068 0.000 1.011 329 L CA -0.616 54.271 54.840 0.079 0.000 0.818 329 L CB 1.930 44.046 42.059 0.095 0.000 1.316 329 L HN -0.133 nan 8.230 nan 0.000 0.432 330 D N 0.642 121.066 120.400 0.039 0.000 2.388 330 D HA 0.240 4.880 4.640 0.000 0.000 0.208 330 D C 0.149 176.485 176.300 0.059 0.000 1.035 330 D CA 0.499 54.525 54.000 0.043 0.000 0.875 330 D CB 1.270 42.086 40.800 0.027 0.000 0.984 330 D HN 0.515 nan 8.370 nan 0.000 0.508 331 A N 0.607 123.457 122.820 0.050 0.000 2.520 331 A HA 0.588 4.908 4.320 0.000 0.000 0.298 331 A C -0.574 177.068 177.584 0.097 0.000 1.051 331 A CA -0.561 51.530 52.037 0.090 0.000 0.690 331 A CB 1.819 20.890 19.000 0.119 0.000 1.281 331 A HN -0.028 nan 8.150 nan 0.000 0.402 332 T N -1.054 113.601 114.554 0.168 0.000 2.921 332 T HA 0.695 5.045 4.350 0.000 0.000 0.297 332 T C -0.718 174.127 174.700 0.243 0.000 1.013 332 T CA -0.428 61.806 62.100 0.222 0.000 0.990 332 T CB 1.541 70.581 68.868 0.287 0.000 1.023 332 T HN 0.541 nan 8.240 nan 0.000 0.447 333 T N 3.297 118.013 114.554 0.270 0.000 2.821 333 T HA 0.473 4.823 4.350 0.000 0.000 0.307 333 T C -0.132 174.720 174.700 0.254 0.000 1.034 333 T CA -0.485 61.770 62.100 0.259 0.000 0.953 333 T CB 0.693 69.744 68.868 0.305 0.000 0.968 333 T HN 0.662 nan 8.240 nan 0.000 0.462 334 V N 5.675 125.707 119.914 0.196 0.000 2.385 334 V HA 0.329 4.449 4.120 0.000 0.000 0.269 334 V C -0.111 176.062 176.094 0.133 0.000 1.043 334 V CA -0.756 61.650 62.300 0.178 0.000 0.906 334 V CB 0.628 32.511 31.823 0.098 0.000 0.995 334 V HN 0.616 nan 8.190 nan 0.000 0.467 335 L N 4.478 125.785 121.223 0.140 0.000 2.379 335 L HA 0.645 4.985 4.340 0.000 0.000 0.269 335 L C 0.357 177.263 176.870 0.060 0.000 1.084 335 L CA 0.571 55.469 54.840 0.098 0.000 0.802 335 L CB 1.729 43.858 42.059 0.117 0.000 1.175 335 L HN 0.724 nan 8.230 nan 0.000 0.448 336 S N 1.758 117.474 115.700 0.025 0.000 2.571 336 S HA 0.418 4.888 4.470 0.000 0.000 0.284 336 S C 0.694 175.284 174.600 -0.018 0.000 1.128 336 S CA -0.780 57.422 58.200 0.003 0.000 0.970 336 S CB 1.206 64.400 63.200 -0.009 0.000 1.039 336 S HN 0.711 nan 8.310 nan 0.000 0.485 337 R N 3.126 123.619 120.500 -0.012 0.000 2.189 337 R HA 0.005 4.345 4.340 0.000 0.000 0.223 337 R C 1.775 178.055 176.300 -0.035 0.000 1.092 337 R CA 1.621 57.712 56.100 -0.015 0.000 0.989 337 R CB -0.589 29.710 30.300 -0.001 0.000 0.876 337 R HN 0.745 nan 8.270 nan 0.000 0.457 338 A N 0.857 123.656 122.820 -0.035 0.000 1.968 338 A HA -0.033 4.287 4.320 0.000 0.000 0.217 338 A C 2.012 179.562 177.584 -0.057 0.000 1.169 338 A CA 0.920 52.933 52.037 -0.040 0.000 0.638 338 A CB -0.211 18.768 19.000 -0.034 0.000 0.812 338 A HN 0.338 nan 8.150 nan 0.000 0.446 339 I N -0.544 119.984 120.570 -0.070 0.000 2.235 339 I HA -0.159 4.011 4.170 0.000 0.000 0.241 339 I C 2.991 178.998 176.117 -0.184 0.000 1.085 339 I CA 0.842 62.083 61.300 -0.097 0.000 1.378 339 I CB -0.480 37.471 38.000 -0.082 0.000 1.076 339 I HN 0.311 nan 8.210 nan 0.000 0.415 340 A N 0.587 123.261 122.820 -0.243 0.000 1.927 340 A HA -0.334 3.986 4.320 0.000 0.000 0.220 340 A C 2.281 179.700 177.584 -0.276 0.000 1.185 340 A CA 2.342 54.113 52.037 -0.444 0.000 0.639 340 A CB -0.896 17.977 19.000 -0.213 0.000 0.820 340 A HN 0.549 nan 8.150 nan 0.000 0.451 341 E N -0.302 119.825 120.200 -0.122 0.000 2.209 341 E HA -0.167 4.183 4.350 0.000 0.000 0.196 341 E C 1.553 178.119 176.600 -0.057 0.000 0.993 341 E CA 1.023 57.391 56.400 -0.054 0.000 0.819 341 E CB -0.191 29.490 29.700 -0.032 0.000 0.745 341 E HN 0.690 nan 8.360 nan 0.000 0.477 342 L N -0.817 120.352 121.223 -0.090 0.000 2.554 342 L HA 0.140 4.480 4.340 0.000 0.000 0.226 342 L C 1.430 178.257 176.870 -0.073 0.000 1.137 342 L CA 0.517 55.313 54.840 -0.074 0.000 0.863 342 L CB 0.089 42.104 42.059 -0.073 0.000 0.985 342 L HN 0.401 nan 8.230 nan 0.000 0.451 343 G N 0.688 109.434 108.800 -0.089 0.000 2.131 343 G HA2 -0.220 3.740 3.960 0.000 0.000 0.223 343 G HA3 -0.220 3.740 3.960 0.000 0.000 0.223 343 G C 0.169 175.093 174.900 0.040 0.000 0.990 343 G CA -0.518 44.604 45.100 0.036 0.000 0.671 343 G HN 0.178 nan 8.290 nan 0.000 0.521 344 I N 1.319 121.780 120.570 -0.183 0.000 2.287 344 I HA 0.405 4.575 4.170 0.000 0.000 0.290 344 I C -0.202 175.713 176.117 -0.336 0.000 1.069 344 I CA -0.472 60.774 61.300 -0.090 0.000 1.237 344 I CB -0.054 37.913 38.000 -0.055 0.000 1.418 344 I HN 0.044 nan 8.210 nan 0.000 0.481 345 Y N 7.191 127.455 120.300 -0.060 0.000 2.429 345 Y HA 0.433 4.983 4.550 0.000 0.000 0.342 345 Y C -2.004 173.696 175.900 -0.333 0.000 1.004 345 Y CA -2.762 55.227 58.100 -0.185 0.000 1.075 345 Y CB 1.486 39.816 38.460 -0.216 0.000 1.214 345 Y HN 0.389 nan 8.280 nan 0.000 0.455 346 P HA 0.072 nan 4.420 nan 0.000 0.268 346 P C -0.440 176.846 177.300 -0.024 0.000 1.205 346 P CA -0.120 62.925 63.100 -0.091 0.000 0.771 346 P CB 0.887 32.584 31.700 -0.005 0.000 0.858 347 A N 3.813 126.625 122.820 -0.013 0.000 2.810 347 A HA 0.179 4.499 4.320 0.000 0.000 0.247 347 A C 0.578 178.161 177.584 -0.002 0.000 1.576 347 A CA -0.210 51.773 52.037 -0.089 0.000 1.294 347 A CB -1.224 17.686 19.000 -0.150 0.000 0.976 347 A HN 0.385 nan 8.150 nan 0.000 0.631 348 V N 0.823 120.756 119.914 0.031 0.000 2.715 348 V HA 0.041 4.161 4.120 0.000 0.000 0.299 348 V C 0.419 176.529 176.094 0.027 0.000 1.054 348 V CA -0.287 62.047 62.300 0.057 0.000 1.077 348 V CB 1.224 33.095 31.823 0.080 0.000 0.972 348 V HN 0.592 nan 8.190 nan 0.000 0.484 349 D N 6.575 126.995 120.400 0.033 0.000 2.380 349 D HA 0.241 4.881 4.640 0.000 0.000 0.230 349 D C -1.281 175.025 176.300 0.010 0.000 1.154 349 D CA -2.175 51.833 54.000 0.013 0.000 0.859 349 D CB 1.742 42.549 40.800 0.012 0.000 1.045 349 D HN 0.241 nan 8.370 nan 0.000 0.495 350 P HA -0.105 nan 4.420 nan 0.000 0.221 350 P C 0.993 178.276 177.300 -0.027 0.000 1.145 350 P CA 0.809 63.896 63.100 -0.022 0.000 0.795 350 P CB 0.334 32.011 31.700 -0.038 0.000 0.775 351 L N -1.375 119.835 121.223 -0.021 0.000 2.769 351 L HA 0.304 4.644 4.340 0.000 0.000 0.240 351 L C 1.083 177.937 176.870 -0.028 0.000 1.163 351 L CA 0.290 55.113 54.840 -0.028 0.000 0.962 351 L CB -0.135 41.906 42.059 -0.029 0.000 1.258 351 L HN -0.170 nan 8.230 nan 0.000 0.513 352 D N -1.009 119.382 120.400 -0.014 0.000 2.562 352 D HA 0.112 4.752 4.640 0.000 0.000 0.246 352 D C -0.062 176.249 176.300 0.019 0.000 1.347 352 D CA 0.194 54.183 54.000 -0.017 0.000 0.800 352 D CB 0.807 41.591 40.800 -0.026 0.000 1.111 352 D HN -0.099 nan 8.370 nan 0.000 0.508 353 S N -0.205 115.514 115.700 0.032 0.000 2.475 353 S HA 0.728 5.198 4.470 0.000 0.000 0.298 353 S C -0.142 174.496 174.600 0.064 0.000 1.119 353 S CA -0.520 57.724 58.200 0.073 0.000 1.085 353 S CB 1.742 64.991 63.200 0.082 0.000 1.028 353 S HN 0.312 nan 8.310 nan 0.000 0.489 354 T N -0.830 113.781 114.554 0.096 0.000 2.864 354 T HA 0.796 5.146 4.350 0.000 0.000 0.299 354 T C -0.825 173.936 174.700 0.102 0.000 1.166 354 T CA -0.820 61.324 62.100 0.074 0.000 1.007 354 T CB 1.805 70.708 68.868 0.058 0.000 1.219 354 T HN 0.437 nan 8.240 nan 0.000 0.506 355 S N -0.721 115.027 115.700 0.080 0.000 2.540 355 S HA 0.440 4.910 4.470 0.000 0.000 0.275 355 S C 0.605 175.246 174.600 0.067 0.000 1.123 355 S CA -0.830 57.425 58.200 0.091 0.000 0.907 355 S CB 1.953 65.210 63.200 0.094 0.000 1.081 355 S HN 0.937 nan 8.310 nan 0.000 0.476 356 R N 3.011 123.550 120.500 0.066 0.000 2.280 356 R HA 0.107 4.447 4.340 0.000 0.000 0.207 356 R C 1.409 177.738 176.300 0.048 0.000 1.043 356 R CA 1.494 57.626 56.100 0.053 0.000 1.006 356 R CB -0.417 29.912 30.300 0.048 0.000 0.885 356 R HN 0.830 nan 8.270 nan 0.000 0.467 357 I N -2.431 118.167 120.570 0.047 0.000 3.875 357 I HA 0.189 4.359 4.170 0.000 0.000 0.329 357 I C 0.239 176.370 176.117 0.024 0.000 1.295 357 I CA -0.243 61.078 61.300 0.034 0.000 1.129 357 I CB 0.277 38.296 38.000 0.032 0.000 1.008 357 I HN -0.057 nan 8.210 nan 0.000 0.413 358 M N 3.259 122.881 119.600 0.037 0.000 3.442 358 M HA 0.226 4.706 4.480 0.000 0.000 0.232 358 M C -0.739 175.697 176.300 0.226 0.000 1.508 358 M CA 0.676 56.007 55.300 0.053 0.000 1.647 358 M CB -1.326 31.272 32.600 -0.003 0.000 1.126 358 M HN 0.247 nan 8.290 nan 0.000 0.557 359 D N 2.439 122.934 120.400 0.158 0.000 2.787 359 D HA 0.390 5.030 4.640 0.000 0.000 0.246 359 D C -2.046 174.238 176.300 -0.027 0.000 1.150 359 D CA -1.715 52.323 54.000 0.062 0.000 0.864 359 D CB 2.638 43.447 40.800 0.016 0.000 1.481 359 D HN 0.048 nan 8.370 nan 0.000 0.509 360 P HA -0.123 nan 4.420 nan 0.000 0.216 360 P C 0.908 178.152 177.300 -0.093 0.000 1.150 360 P CA 1.003 63.959 63.100 -0.240 0.000 0.837 360 P CB 0.315 31.755 31.700 -0.433 0.000 0.786 361 N N -0.836 117.809 118.700 -0.093 0.000 2.520 361 N HA -0.016 4.724 4.740 0.000 0.000 0.185 361 N C 1.495 176.997 175.510 -0.013 0.000 1.068 361 N CA 0.618 53.642 53.050 -0.044 0.000 0.911 361 N CB 0.004 38.466 38.487 -0.042 0.000 0.961 361 N HN 0.242 nan 8.380 nan 0.000 0.446 362 I N -0.680 119.889 120.570 -0.003 0.000 3.812 362 I HA -0.060 4.110 4.170 0.000 0.000 0.292 362 I C 1.826 177.964 176.117 0.034 0.000 1.206 362 I CA 0.388 61.698 61.300 0.016 0.000 1.370 362 I CB 0.321 38.330 38.000 0.015 0.000 1.328 362 I HN -0.087 nan 8.210 nan 0.000 0.453 363 V N -1.279 118.655 119.914 0.034 0.000 3.644 363 V HA 0.600 4.720 4.120 0.000 0.000 0.267 363 V C 0.844 177.026 176.094 0.147 0.000 1.277 363 V CA 0.301 62.643 62.300 0.071 0.000 1.096 363 V CB -0.480 31.264 31.823 -0.132 0.000 0.828 363 V HN 0.456 nan 8.190 nan 0.000 0.446 364 G N 0.900 109.763 108.800 0.104 0.000 2.663 364 G HA2 -0.089 3.871 3.960 0.000 0.000 0.686 364 G HA3 -0.089 3.871 3.960 0.000 0.000 0.686 364 G C 0.288 175.278 174.900 0.150 0.000 1.246 364 G CA 0.053 45.219 45.100 0.109 0.000 0.795 364 G HN 1.059 nan 8.290 nan 0.000 0.627 365 S N -0.476 115.288 115.700 0.106 0.000 2.428 365 S HA -0.030 4.440 4.470 0.000 0.000 0.230 365 S C 1.697 176.405 174.600 0.180 0.000 1.014 365 S CA 1.635 59.912 58.200 0.128 0.000 0.957 365 S CB 0.067 63.304 63.200 0.063 0.000 0.784 365 S HN 0.841 nan 8.310 nan 0.000 0.499 366 E N 1.084 121.377 120.200 0.156 0.000 2.072 366 E HA -0.208 4.142 4.350 0.000 0.000 0.190 366 E C 1.987 178.705 176.600 0.197 0.000 0.982 366 E CA 0.862 57.349 56.400 0.145 0.000 0.803 366 E CB -0.235 29.527 29.700 0.103 0.000 0.755 366 E HN 0.816 nan 8.360 nan 0.000 0.453 367 H N -1.406 117.731 119.070 0.112 0.000 2.293 367 H HA -0.206 4.350 4.556 0.000 0.000 0.300 367 H C 2.043 177.435 175.328 0.106 0.000 1.082 367 H CA 1.768 57.878 56.048 0.104 0.000 1.308 367 H CB -0.063 29.761 29.762 0.104 0.000 1.375 367 H HN 0.232 nan 8.280 nan 0.000 0.495 368 Y N 1.394 121.805 120.300 0.184 0.000 2.181 368 Y HA -0.202 4.348 4.550 -0.000 0.000 0.288 368 Y C 1.721 177.662 175.900 0.068 0.000 1.146 368 Y CA 1.899 60.040 58.100 0.068 0.000 1.164 368 Y CB -0.106 38.367 38.460 0.022 0.000 0.982 368 Y HN 0.350 nan 8.280 nan 0.000 0.515 369 D N -1.009 119.550 120.400 0.266 0.000 2.224 369 D HA -0.130 4.510 4.640 0.000 0.000 0.205 369 D C 2.324 178.667 176.300 0.073 0.000 0.965 369 D CA 1.122 55.224 54.000 0.170 0.000 0.852 369 D CB -0.307 40.591 40.800 0.163 0.000 0.947 369 D HN 0.276 nan 8.370 nan 0.000 0.494 370 V N 1.182 121.148 119.914 0.087 0.000 2.283 370 V HA -0.183 3.937 4.120 0.000 0.000 0.243 370 V C 2.466 178.559 176.094 -0.001 0.000 1.039 370 V CA 1.684 64.026 62.300 0.070 0.000 1.016 370 V CB -0.818 31.073 31.823 0.114 0.000 0.650 370 V HN 0.189 nan 8.190 nan 0.000 0.449 371 A N 0.523 123.331 122.820 -0.020 0.000 1.849 371 A HA -0.246 4.074 4.320 0.000 0.000 0.217 371 A C 2.291 179.775 177.584 -0.166 0.000 1.202 371 A CA 1.961 53.933 52.037 -0.109 0.000 0.629 371 A CB -0.597 18.328 19.000 -0.125 0.000 0.834 371 A HN 0.421 nan 8.150 nan 0.000 0.447 372 R N -0.469 119.886 120.500 -0.241 0.000 2.159 372 R HA -0.115 4.225 4.340 0.000 0.000 0.237 372 R C 2.247 178.493 176.300 -0.090 0.000 1.131 372 R CA 1.239 57.220 56.100 -0.198 0.000 0.982 372 R CB -1.528 28.625 30.300 -0.245 0.000 0.868 372 R HN 0.579 nan 8.270 nan 0.000 0.453 373 G N 0.279 109.047 108.800 -0.053 0.000 2.408 373 G HA2 -0.158 3.802 3.960 0.000 0.000 0.217 373 G HA3 -0.158 3.802 3.960 0.000 0.000 0.217 373 G C 1.551 176.436 174.900 -0.025 0.000 1.150 373 G CA 0.474 45.566 45.100 -0.014 0.000 0.776 373 G HN 0.174 nan 8.290 nan 0.000 0.542 374 V N 0.369 120.248 119.914 -0.060 0.000 2.427 374 V HA -0.181 3.939 4.120 0.000 0.000 0.248 374 V C 2.870 178.916 176.094 -0.080 0.000 1.051 374 V CA 1.969 64.215 62.300 -0.090 0.000 1.048 374 V CB -0.346 31.340 31.823 -0.228 0.000 0.666 374 V HN 0.416 nan 8.190 nan 0.000 0.456 375 Q N -0.270 119.477 119.800 -0.087 0.000 2.083 375 Q HA -0.221 4.119 4.340 0.000 0.000 0.198 375 Q C 2.323 178.302 176.000 -0.035 0.000 0.969 375 Q CA 1.563 57.326 55.803 -0.066 0.000 0.838 375 Q CB -0.176 28.512 28.738 -0.084 0.000 0.900 375 Q HN 0.574 nan 8.270 nan 0.000 0.436 376 K N 1.173 121.555 120.400 -0.030 0.000 2.009 376 K HA -0.184 4.136 4.320 0.000 0.000 0.210 376 K C 1.991 178.595 176.600 0.007 0.000 1.049 376 K CA 1.267 57.549 56.287 -0.010 0.000 0.929 376 K CB -0.221 32.276 32.500 -0.004 0.000 0.714 376 K HN 0.159 nan 8.250 nan 0.000 0.440 377 I N 0.967 121.542 120.570 0.009 0.000 2.264 377 I HA -0.278 3.892 4.170 0.000 0.000 0.248 377 I C 1.821 177.973 176.117 0.059 0.000 1.111 377 I CA 1.130 62.445 61.300 0.025 0.000 1.382 377 I CB 0.094 38.099 38.000 0.008 0.000 1.060 377 I HN 0.251 nan 8.210 nan 0.000 0.418 378 L N -0.205 121.047 121.223 0.048 0.000 2.109 378 L HA -0.194 4.146 4.340 0.000 0.000 0.207 378 L C 2.531 179.457 176.870 0.094 0.000 1.086 378 L CA 0.845 55.743 54.840 0.097 0.000 0.760 378 L CB -0.626 41.461 42.059 0.047 0.000 0.910 378 L HN 0.289 nan 8.230 nan 0.000 0.437 379 Q N 0.543 120.366 119.800 0.038 0.000 2.016 379 Q HA -0.203 4.137 4.340 0.000 0.000 0.200 379 Q C 1.769 177.782 176.000 0.022 0.000 0.978 379 Q CA 1.814 57.625 55.803 0.013 0.000 0.833 379 Q CB -0.199 28.537 28.738 -0.004 0.000 0.895 379 Q HN 0.338 nan 8.270 nan 0.000 0.427 380 D N -0.833 119.592 120.400 0.041 0.000 2.133 380 D HA -0.203 4.437 4.640 0.000 0.000 0.195 380 D C 1.654 178.006 176.300 0.088 0.000 0.997 380 D CA 1.432 55.462 54.000 0.050 0.000 0.840 380 D CB -0.414 40.416 40.800 0.051 0.000 0.947 380 D HN 0.381 nan 8.370 nan 0.000 0.452 381 Y N 1.411 121.699 120.300 -0.020 0.000 2.263 381 Y HA -0.061 4.489 4.550 0.000 0.000 0.292 381 Y C 2.187 178.074 175.900 -0.021 0.000 1.130 381 Y CA 1.215 59.303 58.100 -0.020 0.000 1.179 381 Y CB -0.135 38.313 38.460 -0.021 0.000 0.998 381 Y HN -0.194 nan 8.280 nan 0.000 0.532 382 K N -0.256 120.043 120.400 -0.168 0.000 2.009 382 K HA -0.174 4.146 4.320 0.000 0.000 0.210 382 K C 2.298 178.772 176.600 -0.210 0.000 1.049 382 K CA 1.894 58.025 56.287 -0.259 0.000 0.929 382 K CB -0.275 32.154 32.500 -0.120 0.000 0.714 382 K HN 0.279 nan 8.250 nan 0.000 0.440 383 S N 1.102 116.733 115.700 -0.114 0.000 2.365 383 S HA -0.162 4.308 4.470 0.000 0.000 0.225 383 S C 1.849 176.394 174.600 -0.091 0.000 1.039 383 S CA 1.389 59.539 58.200 -0.082 0.000 1.033 383 S CB -0.270 62.905 63.200 -0.043 0.000 0.887 383 S HN 0.243 nan 8.310 nan 0.000 0.447 384 L N 1.205 122.376 121.223 -0.086 0.000 2.156 384 L HA -0.130 4.210 4.340 0.000 0.000 0.208 384 L C 2.638 179.439 176.870 -0.115 0.000 1.095 384 L CA 0.855 55.658 54.840 -0.062 0.000 0.770 384 L CB -0.569 41.497 42.059 0.012 0.000 0.914 384 L HN 0.343 nan 8.230 nan 0.000 0.439 385 Q N 0.143 119.788 119.800 -0.258 0.000 2.065 385 Q HA -0.300 4.040 4.340 0.000 0.000 0.213 385 Q C 1.741 177.658 176.000 -0.138 0.000 1.012 385 Q CA 2.224 57.860 55.803 -0.278 0.000 0.876 385 Q CB -0.276 28.221 28.738 -0.401 0.000 0.954 385 Q HN 0.485 nan 8.270 nan 0.000 0.413 386 D N -0.205 120.124 120.400 -0.119 0.000 2.219 386 D HA -0.087 4.553 4.640 0.000 0.000 0.205 386 D C 1.757 178.026 176.300 -0.052 0.000 0.970 386 D CA 0.946 54.900 54.000 -0.076 0.000 0.851 386 D CB -0.014 40.744 40.800 -0.069 0.000 0.943 386 D HN 0.322 nan 8.370 nan 0.000 0.488 387 I N 0.948 121.488 120.570 -0.049 0.000 2.429 387 I HA -0.075 4.095 4.170 0.000 0.000 0.247 387 I C 2.445 178.551 176.117 -0.019 0.000 1.099 387 I CA 0.358 61.640 61.300 -0.030 0.000 1.422 387 I CB -0.154 37.831 38.000 -0.025 0.000 1.112 387 I HN -0.063 nan 8.210 nan 0.000 0.430 388 I N 0.233 120.794 120.570 -0.015 0.000 2.916 388 I HA -0.097 4.073 4.170 0.000 0.000 0.267 388 I C 2.434 178.550 176.117 -0.002 0.000 1.263 388 I CA 1.069 62.370 61.300 0.002 0.000 1.471 388 I CB -0.281 37.732 38.000 0.022 0.000 1.089 388 I HN 0.093 nan 8.210 nan 0.000 0.468 389 A N 2.143 124.954 122.820 -0.014 0.000 1.865 389 A HA -0.144 4.176 4.320 0.000 0.000 0.217 389 A C 2.118 179.696 177.584 -0.010 0.000 1.191 389 A CA 2.299 54.328 52.037 -0.015 0.000 0.623 389 A CB -0.686 18.298 19.000 -0.026 0.000 0.826 389 A HN 0.551 nan 8.150 nan 0.000 0.444 390 I N -1.024 119.540 120.570 -0.012 0.000 2.522 390 I HA -0.008 4.162 4.170 0.000 0.000 0.240 390 I C 1.863 177.977 176.117 -0.005 0.000 1.078 390 I CA 0.571 61.865 61.300 -0.009 0.000 1.422 390 I CB -0.250 37.743 38.000 -0.011 0.000 1.188 390 I HN 0.151 nan 8.210 nan 0.000 0.442 391 L N 0.943 122.163 121.223 -0.005 0.000 2.622 391 L HA 0.152 4.492 4.340 0.000 0.000 0.233 391 L C 1.134 178.005 176.870 0.001 0.000 1.156 391 L CA 0.213 55.051 54.840 -0.002 0.000 0.866 391 L CB -1.618 40.439 42.059 -0.003 0.000 0.980 391 L HN 0.516 nan 8.230 nan 0.000 0.448 392 G N 0.114 108.915 108.800 0.003 0.000 2.804 392 G HA2 -0.367 3.593 3.960 0.000 0.000 0.230 392 G HA3 -0.367 3.593 3.960 0.000 0.000 0.230 392 G C 0.128 175.035 174.900 0.011 0.000 1.386 392 G CA 0.249 45.353 45.100 0.007 0.000 0.875 392 G HN 0.146 nan 8.290 nan 0.000 0.557 393 M N -0.423 119.185 119.600 0.014 0.000 2.414 393 M HA 0.160 4.640 4.480 0.000 0.000 0.251 393 M C 1.813 178.121 176.300 0.014 0.000 1.116 393 M CA 0.916 56.226 55.300 0.017 0.000 1.056 393 M CB 0.055 32.668 32.600 0.022 0.000 1.388 393 M HN 0.579 nan 8.290 nan 0.000 0.487 394 D N 0.960 121.366 120.400 0.011 0.000 2.106 394 D HA -0.206 4.434 4.640 0.000 0.000 0.191 394 D C 1.645 177.950 176.300 0.008 0.000 0.997 394 D CA 1.299 55.305 54.000 0.009 0.000 0.834 394 D CB -0.292 40.512 40.800 0.007 0.000 0.956 394 D HN 0.255 nan 8.370 nan 0.000 0.448 395 E N 0.172 120.376 120.200 0.007 0.000 2.396 395 E HA -0.038 4.312 4.350 0.000 0.000 0.200 395 E C 0.800 177.404 176.600 0.008 0.000 1.023 395 E CA -0.029 56.375 56.400 0.006 0.000 0.857 395 E CB -0.215 29.488 29.700 0.005 0.000 0.775 395 E HN 0.378 nan 8.360 nan 0.000 0.525 396 L N 1.912 123.142 121.223 0.010 0.000 2.456 396 L HA -0.004 4.336 4.340 0.000 0.000 0.272 396 L C 0.381 177.258 176.870 0.011 0.000 1.189 396 L CA -0.181 54.667 54.840 0.013 0.000 0.846 396 L CB 0.550 42.620 42.059 0.018 0.000 1.111 396 L HN -0.008 nan 8.230 nan 0.000 0.475 397 S N 2.171 117.878 115.700 0.011 0.000 2.533 397 S HA 0.048 4.518 4.470 0.000 0.000 0.282 397 S C 0.889 175.494 174.600 0.009 0.000 1.304 397 S CA -0.906 57.299 58.200 0.009 0.000 1.063 397 S CB 1.101 64.306 63.200 0.009 0.000 0.881 397 S HN 0.537 nan 8.310 nan 0.000 0.493 398 E N 2.190 122.395 120.200 0.008 0.000 2.233 398 E HA -0.219 4.131 4.350 0.000 0.000 0.199 398 E C 1.545 178.149 176.600 0.007 0.000 1.004 398 E CA 1.186 57.590 56.400 0.007 0.000 0.819 398 E CB -0.234 29.469 29.700 0.006 0.000 0.738 398 E HN 0.756 nan 8.360 nan 0.000 0.478 399 E N 0.526 120.730 120.200 0.007 0.000 2.110 399 E HA -0.166 4.184 4.350 0.000 0.000 0.193 399 E C 1.279 177.884 176.600 0.009 0.000 0.988 399 E CA 1.159 57.563 56.400 0.007 0.000 0.804 399 E CB -0.105 29.599 29.700 0.008 0.000 0.745 399 E HN 0.333 nan 8.360 nan 0.000 0.458 400 D N -0.188 120.219 120.400 0.013 0.000 2.333 400 D HA -0.049 4.591 4.640 0.000 0.000 0.208 400 D C 1.341 177.654 176.300 0.021 0.000 0.984 400 D CA 0.559 54.571 54.000 0.019 0.000 0.873 400 D CB 0.245 41.058 40.800 0.022 0.000 0.935 400 D HN 0.130 nan 8.370 nan 0.000 0.521 401 K N -0.070 120.338 120.400 0.013 0.000 2.404 401 K HA 0.115 4.435 4.320 0.000 0.000 0.194 401 K C 1.211 177.807 176.600 -0.006 0.000 1.023 401 K CA 0.076 56.369 56.287 0.010 0.000 1.094 401 K CB 0.566 33.072 32.500 0.011 0.000 0.841 401 K HN 0.107 nan 8.250 nan 0.000 0.523 402 L N 2.059 123.278 121.223 -0.008 0.000 2.298 402 L HA -0.010 4.330 4.340 0.000 0.000 0.209 402 L C 2.363 179.211 176.870 -0.036 0.000 1.084 402 L CA 1.420 56.248 54.840 -0.020 0.000 0.816 402 L CB -0.035 42.018 42.059 -0.009 0.000 0.967 402 L HN 0.307 nan 8.230 nan 0.000 0.460 403 T N -4.028 110.514 114.554 -0.021 0.000 2.985 403 T HA -0.060 4.290 4.350 0.000 0.000 0.266 403 T C 1.749 176.407 174.700 -0.070 0.000 1.076 403 T CA 1.238 63.322 62.100 -0.027 0.000 1.135 403 T CB -0.573 68.300 68.868 0.008 0.000 0.890 403 T HN 0.070 nan 8.240 nan 0.000 0.480 404 V N 1.467 121.349 119.914 -0.053 0.000 2.358 404 V HA -0.121 3.999 4.120 0.000 0.000 0.246 404 V C 3.054 178.995 176.094 -0.255 0.000 1.047 404 V CA 1.817 64.038 62.300 -0.132 0.000 1.035 404 V CB -1.084 30.738 31.823 -0.001 0.000 0.658 404 V HN 0.493 nan 8.190 nan 0.000 0.452 405 S N -0.164 115.448 115.700 -0.147 0.000 2.380 405 S HA -0.227 4.243 4.470 0.000 0.000 0.217 405 S C 2.119 176.598 174.600 -0.201 0.000 1.036 405 S CA 1.831 59.943 58.200 -0.146 0.000 1.050 405 S CB -0.351 62.797 63.200 -0.087 0.000 1.016 405 S HN 0.502 nan 8.310 nan 0.000 0.419 406 R N 1.015 121.417 120.500 -0.164 0.000 2.119 406 R HA -0.162 4.178 4.340 0.000 0.000 0.246 406 R C 2.483 178.668 176.300 -0.193 0.000 1.146 406 R CA 1.383 57.381 56.100 -0.170 0.000 0.962 406 R CB -0.667 29.576 30.300 -0.096 0.000 0.863 406 R HN 0.442 nan 8.270 nan 0.000 0.442 407 A N 1.634 124.318 122.820 -0.227 0.000 1.858 407 A HA -0.189 4.131 4.320 0.000 0.000 0.216 407 A C 2.147 179.535 177.584 -0.326 0.000 1.190 407 A CA 1.372 53.247 52.037 -0.269 0.000 0.617 407 A CB -0.446 18.312 19.000 -0.404 0.000 0.827 407 A HN 0.272 nan 8.150 nan 0.000 0.443 408 R N -0.064 120.164 120.500 -0.452 0.000 2.127 408 R HA -0.138 4.202 4.340 0.000 0.000 0.238 408 R C 2.075 178.255 176.300 -0.199 0.000 1.134 408 R CA 1.621 57.528 56.100 -0.321 0.000 0.975 408 R CB -0.314 29.815 30.300 -0.285 0.000 0.865 408 R HN 0.556 nan 8.270 nan 0.000 0.447 409 K N 0.485 120.720 120.400 -0.275 0.000 2.076 409 K HA 0.022 4.342 4.320 0.000 0.000 0.204 409 K C 2.134 178.586 176.600 -0.248 0.000 1.051 409 K CA 0.897 56.922 56.287 -0.437 0.000 0.949 409 K CB -0.017 31.925 32.500 -0.929 0.000 0.726 409 K HN 0.117 nan 8.250 nan 0.000 0.443 410 I N 1.541 122.051 120.570 -0.100 0.000 2.226 410 I HA -0.305 3.865 4.170 0.000 0.000 0.245 410 I C 2.629 178.892 176.117 0.243 0.000 1.100 410 I CA 1.372 62.800 61.300 0.214 0.000 1.374 410 I CB -0.346 37.762 38.000 0.180 0.000 1.057 410 I HN 0.306 nan 8.210 nan 0.000 0.413 411 Q N 0.603 120.454 119.800 0.086 0.000 2.152 411 Q HA -0.232 4.108 4.340 0.000 0.000 0.206 411 Q C 2.341 178.418 176.000 0.129 0.000 0.985 411 Q CA 1.731 57.583 55.803 0.081 0.000 0.863 411 Q CB 0.097 28.852 28.738 0.027 0.000 0.904 411 Q HN 0.452 nan 8.270 nan 0.000 0.422 412 R N -1.215 119.379 120.500 0.157 0.000 2.075 412 R HA -0.034 4.306 4.340 0.000 0.000 0.220 412 R C 1.982 178.459 176.300 0.296 0.000 1.118 412 R CA 0.779 57.029 56.100 0.249 0.000 0.986 412 R CB -0.321 30.138 30.300 0.265 0.000 0.884 412 R HN 0.193 nan 8.270 nan 0.000 0.439 413 F N 1.719 121.768 119.950 0.166 0.000 2.373 413 F HA -0.100 4.427 4.527 0.000 0.000 0.300 413 F C 1.577 177.519 175.800 0.237 0.000 1.080 413 F CA 1.093 59.167 58.000 0.125 0.000 1.417 413 F CB -0.016 38.928 39.000 -0.092 0.000 1.070 413 F HN -0.045 nan 8.300 nan 0.000 0.546 414 L N -0.731 120.659 121.223 0.279 0.000 2.418 414 L HA 0.006 4.346 4.340 0.000 0.000 0.218 414 L C 1.366 178.252 176.870 0.025 0.000 1.125 414 L CA 0.168 55.120 54.840 0.187 0.000 0.835 414 L CB -0.569 41.583 42.059 0.156 0.000 0.953 414 L HN 0.033 nan 8.230 nan 0.000 0.454 415 S N -0.453 115.256 115.700 0.015 0.000 2.624 415 S HA 0.373 4.843 4.470 0.000 0.000 0.263 415 S C -0.310 174.203 174.600 -0.144 0.000 1.287 415 S CA -0.555 57.611 58.200 -0.057 0.000 0.990 415 S CB 1.789 64.976 63.200 -0.022 0.000 0.950 415 S HN 0.243 nan 8.310 nan 0.000 0.561 416 Q N 0.092 119.778 119.800 -0.190 0.000 2.403 416 Q HA 0.334 4.674 4.340 0.000 0.000 0.267 416 Q C -3.205 172.681 176.000 -0.190 0.000 0.991 416 Q CA -1.864 53.842 55.803 -0.161 0.000 0.906 416 Q CB 2.229 30.942 28.738 -0.043 0.000 1.422 416 Q HN 0.463 nan 8.270 nan 0.000 0.400 417 P HA 0.189 nan 4.420 nan 0.000 0.280 417 P C -0.902 176.491 177.300 0.156 0.000 1.300 417 P CA -0.044 63.022 63.100 -0.057 0.000 0.785 417 P CB 0.034 31.708 31.700 -0.043 0.000 0.874 418 F N 1.921 121.877 119.950 0.010 0.000 2.382 418 F HA 0.194 4.721 4.527 -0.000 0.000 0.331 418 F C 2.060 177.870 175.800 0.016 0.000 1.121 418 F CA -0.748 57.265 58.000 0.021 0.000 1.183 418 F CB 0.592 39.620 39.000 0.047 0.000 1.207 418 F HN 0.378 nan 8.300 nan 0.000 0.555 419 Q N 0.717 120.616 119.800 0.165 0.000 2.472 419 Q HA 0.045 4.385 4.340 0.000 0.000 0.208 419 Q C 0.525 176.553 176.000 0.047 0.000 0.958 419 Q CA 0.645 56.489 55.803 0.068 0.000 0.932 419 Q CB 0.212 28.957 28.738 0.012 0.000 1.007 419 Q HN 0.506 nan 8.270 nan 0.000 0.508 420 V N -0.176 119.792 119.914 0.089 0.000 3.578 420 V HA 0.316 4.436 4.120 0.000 0.000 0.290 420 V C 0.531 176.683 176.094 0.097 0.000 1.376 420 V CA 0.744 63.084 62.300 0.066 0.000 1.083 420 V CB 0.995 32.858 31.823 0.066 0.000 0.911 420 V HN 0.327 nan 8.190 nan 0.000 0.433 421 A N -0.790 122.111 122.820 0.135 0.000 2.594 421 A HA 0.368 4.688 4.320 0.000 0.000 0.292 421 A C 1.222 178.797 177.584 -0.016 0.000 1.026 421 A CA -0.189 51.939 52.037 0.151 0.000 0.983 421 A CB 0.074 19.336 19.000 0.436 0.000 1.233 421 A HN 0.400 nan 8.150 nan 0.000 0.519 422 E N -0.127 120.027 120.200 -0.076 0.000 2.150 422 E HA -0.129 4.221 4.350 0.000 0.000 0.193 422 E C 1.716 178.224 176.600 -0.153 0.000 0.985 422 E CA 1.482 57.848 56.400 -0.056 0.000 0.814 422 E CB -0.146 29.528 29.700 -0.044 0.000 0.752 422 E HN 0.552 nan 8.360 nan 0.000 0.466 423 V N -0.276 119.423 119.914 -0.359 0.000 2.867 423 V HA -0.201 3.919 4.120 0.000 0.000 0.260 423 V C 1.489 177.346 176.094 -0.394 0.000 1.099 423 V CA 1.365 63.405 62.300 -0.434 0.000 1.122 423 V CB -0.716 30.714 31.823 -0.655 0.000 0.708 423 V HN 0.114 nan 8.190 nan 0.000 0.490 424 F N 1.513 121.454 119.950 -0.015 0.000 2.419 424 F HA 0.102 4.629 4.527 0.000 0.000 0.283 424 F C 2.678 178.471 175.800 -0.012 0.000 1.044 424 F CA 1.121 59.097 58.000 -0.041 0.000 1.376 424 F CB -1.335 37.593 39.000 -0.120 0.000 1.131 424 F HN 0.212 nan 8.300 nan 0.000 0.585 425 T N -3.001 111.661 114.554 0.180 0.000 3.067 425 T HA 0.316 4.666 4.350 0.000 0.000 0.257 425 T C 1.763 176.628 174.700 0.275 0.000 1.105 425 T CA 0.631 62.853 62.100 0.204 0.000 1.104 425 T CB -0.366 68.590 68.868 0.147 0.000 0.925 425 T HN 0.494 nan 8.240 nan 0.000 0.498 426 G N 1.247 110.119 108.800 0.120 0.000 2.198 426 G HA2 -0.204 3.756 3.960 0.000 0.000 0.260 426 G HA3 -0.204 3.756 3.960 0.000 0.000 0.260 426 G C -0.277 174.547 174.900 -0.127 0.000 1.025 426 G CA 0.315 45.412 45.100 -0.004 0.000 0.769 426 G HN 0.828 nan 8.290 nan 0.000 0.507 427 H N -1.969 117.091 119.070 -0.016 0.000 2.806 427 H HA 0.606 5.162 4.556 0.000 0.000 0.367 427 H C -0.053 175.266 175.328 -0.016 0.000 1.136 427 H CA -0.932 55.104 56.048 -0.021 0.000 1.178 427 H CB 1.501 31.240 29.762 -0.037 0.000 1.718 427 H HN 0.205 nan 8.280 nan 0.000 0.540 428 L N 1.821 123.104 121.223 0.100 0.000 2.453 428 L HA 0.310 4.650 4.340 0.000 0.000 0.272 428 L C 0.909 177.822 176.870 0.071 0.000 1.182 428 L CA 0.380 55.254 54.840 0.056 0.000 0.858 428 L CB 0.423 42.500 42.059 0.029 0.000 1.120 428 L HN 0.881 nan 8.230 nan 0.000 0.474 429 G N 4.176 113.014 108.800 0.062 0.000 2.398 429 G HA2 0.234 4.194 3.960 0.000 0.000 0.246 429 G HA3 0.234 4.194 3.960 0.000 0.000 0.246 429 G C -0.484 174.452 174.900 0.059 0.000 1.289 429 G CA -0.504 44.645 45.100 0.081 0.000 0.869 429 G HN 0.441 nan 8.290 nan 0.000 0.543 430 K N 1.078 121.518 120.400 0.067 0.000 2.270 430 K HA 0.412 4.732 4.320 0.000 0.000 0.255 430 K C -0.966 175.660 176.600 0.043 0.000 0.936 430 K CA -0.996 55.315 56.287 0.040 0.000 0.809 430 K CB 2.388 34.901 32.500 0.022 0.000 1.131 430 K HN 0.370 nan 8.250 nan 0.000 0.427 431 L N 2.449 123.685 121.223 0.021 0.000 2.319 431 L HA 0.463 4.803 4.340 0.000 0.000 0.281 431 L C -1.157 175.717 176.870 0.008 0.000 1.005 431 L CA -0.700 54.146 54.840 0.010 0.000 0.828 431 L CB 1.513 43.569 42.059 -0.005 0.000 1.227 431 L HN 0.245 nan 8.230 nan 0.000 0.415 432 V N 6.767 126.685 119.914 0.007 0.000 2.483 432 V HA 0.603 4.723 4.120 0.000 0.000 0.295 432 V C -1.985 174.116 176.094 0.010 0.000 1.035 432 V CA -1.333 60.971 62.300 0.007 0.000 0.896 432 V CB 1.526 33.345 31.823 -0.006 0.000 0.986 432 V HN 0.777 nan 8.190 nan 0.000 0.447 433 P HA 0.132 nan 4.420 nan 0.000 0.275 433 P C 0.715 178.024 177.300 0.015 0.000 1.228 433 P CA -0.400 62.709 63.100 0.015 0.000 0.786 433 P CB 1.173 32.883 31.700 0.017 0.000 0.927 434 L N 3.542 124.770 121.223 0.008 0.000 2.089 434 L HA -0.221 4.119 4.340 0.000 0.000 0.213 434 L C 2.003 178.859 176.870 -0.022 0.000 1.079 434 L CA 2.096 56.929 54.840 -0.012 0.000 0.758 434 L CB -1.056 40.997 42.059 -0.010 0.000 0.891 434 L HN 0.352 nan 8.230 nan 0.000 0.433 435 K N -1.147 119.253 120.400 -0.001 0.000 2.228 435 K HA -0.070 4.250 4.320 0.000 0.000 0.202 435 K C 1.851 178.470 176.600 0.033 0.000 1.051 435 K CA 0.784 57.075 56.287 0.008 0.000 0.960 435 K CB -0.015 32.495 32.500 0.016 0.000 0.743 435 K HN 0.273 nan 8.250 nan 0.000 0.458 436 E N 0.394 120.618 120.200 0.041 0.000 2.150 436 E HA -0.089 4.261 4.350 0.000 0.000 0.193 436 E C 1.877 178.539 176.600 0.104 0.000 0.985 436 E CA 1.079 57.517 56.400 0.063 0.000 0.814 436 E CB -0.216 29.516 29.700 0.054 0.000 0.752 436 E HN 0.204 nan 8.360 nan 0.000 0.466 437 T N 1.625 116.238 114.554 0.099 0.000 2.639 437 T HA -0.043 4.307 4.350 0.000 0.000 0.261 437 T C 2.138 176.985 174.700 0.244 0.000 1.053 437 T CA 1.009 63.215 62.100 0.178 0.000 1.158 437 T CB -0.314 68.636 68.868 0.137 0.000 0.863 437 T HN 0.088 nan 8.240 nan 0.000 0.413 438 I N 1.440 122.079 120.570 0.114 0.000 2.145 438 I HA -0.297 3.874 4.170 0.000 0.000 0.244 438 I C 2.635 178.842 176.117 0.149 0.000 1.075 438 I CA 1.649 63.007 61.300 0.096 0.000 1.332 438 I CB -0.483 37.490 38.000 -0.045 0.000 1.033 438 I HN 0.257 nan 8.210 nan 0.000 0.410 439 K N 1.435 121.901 120.400 0.111 0.000 2.001 439 K HA -0.150 4.170 4.320 0.000 0.000 0.208 439 K C 2.212 178.871 176.600 0.099 0.000 1.048 439 K CA 1.746 58.090 56.287 0.096 0.000 0.932 439 K CB -0.552 31.990 32.500 0.071 0.000 0.715 439 K HN 0.347 nan 8.250 nan 0.000 0.437 440 G N 0.701 109.554 108.800 0.088 0.000 2.476 440 G HA2 -0.259 3.701 3.960 0.000 0.000 0.218 440 G HA3 -0.259 3.701 3.960 0.000 0.000 0.218 440 G C 1.287 176.090 174.900 -0.161 0.000 1.164 440 G CA 0.948 46.000 45.100 -0.080 0.000 0.768 440 G HN 0.291 nan 8.290 nan 0.000 0.560 441 F N 0.507 120.563 119.950 0.177 0.000 2.146 441 F HA 0.015 4.543 4.527 0.000 0.000 0.298 441 F C 2.915 178.760 175.800 0.075 0.000 1.096 441 F CA 1.459 59.540 58.000 0.136 0.000 1.275 441 F CB -0.699 38.399 39.000 0.163 0.000 1.008 441 F HN 0.172 nan 8.300 nan 0.000 0.480 442 Q N 0.196 120.138 119.800 0.236 0.000 2.096 442 Q HA -0.300 4.040 4.340 0.000 0.000 0.208 442 Q C 2.120 178.183 176.000 0.105 0.000 0.993 442 Q CA 2.317 58.208 55.803 0.145 0.000 0.862 442 Q CB -0.141 28.666 28.738 0.114 0.000 0.915 442 Q HN 0.507 nan 8.270 nan 0.000 0.416 443 Q N -0.332 119.529 119.800 0.102 0.000 2.083 443 Q HA -0.105 4.235 4.340 0.000 0.000 0.198 443 Q C 2.150 178.213 176.000 0.105 0.000 0.969 443 Q CA 1.424 57.280 55.803 0.088 0.000 0.838 443 Q CB -0.046 28.803 28.738 0.185 0.000 0.900 443 Q HN 0.487 nan 8.270 nan 0.000 0.436 444 I N 0.644 121.291 120.570 0.127 0.000 2.179 444 I HA -0.286 3.884 4.170 0.000 0.000 0.242 444 I C 2.226 178.372 176.117 0.049 0.000 1.088 444 I CA 1.124 62.474 61.300 0.084 0.000 1.357 444 I CB -0.370 37.600 38.000 -0.050 0.000 1.051 444 I HN 0.218 nan 8.210 nan 0.000 0.409 445 L N 0.770 122.042 121.223 0.080 0.000 2.131 445 L HA -0.177 4.163 4.340 0.000 0.000 0.210 445 L C 2.616 179.506 176.870 0.033 0.000 1.092 445 L CA 1.151 56.027 54.840 0.060 0.000 0.759 445 L CB -0.447 41.663 42.059 0.084 0.000 0.903 445 L HN 0.269 nan 8.230 nan 0.000 0.435 446 A N -0.912 121.925 122.820 0.029 0.000 2.206 446 A HA 0.198 4.518 4.320 0.000 0.000 0.211 446 A C 1.761 179.335 177.584 -0.015 0.000 1.158 446 A CA 0.853 52.893 52.037 0.006 0.000 0.761 446 A CB -0.373 18.626 19.000 -0.002 0.000 0.801 446 A HN 0.543 nan 8.150 nan 0.000 0.473 447 G N -0.617 108.173 108.800 -0.016 0.000 2.176 447 G HA2 -0.278 3.682 3.960 0.000 0.000 0.253 447 G HA3 -0.278 3.682 3.960 0.000 0.000 0.253 447 G C 0.406 175.271 174.900 -0.059 0.000 0.979 447 G CA 0.481 45.568 45.100 -0.023 0.000 0.641 447 G HN 0.607 nan 8.290 nan 0.000 0.530 448 E N -0.837 119.276 120.200 -0.145 0.000 2.533 448 E HA 0.110 4.460 4.350 0.000 0.000 0.201 448 E C 0.432 176.633 176.600 -0.666 0.000 1.097 448 E CA 0.603 56.782 56.400 -0.368 0.000 0.887 448 E CB -0.088 29.312 29.700 -0.500 0.000 0.855 448 E HN 0.756 nan 8.360 nan 0.000 0.540 449 Y N -1.578 118.706 120.300 -0.027 0.000 2.954 449 Y HA 0.093 4.643 4.550 0.000 0.000 0.267 449 Y C 0.676 176.460 175.900 -0.195 0.000 1.093 449 Y CA -0.749 57.234 58.100 -0.195 0.000 1.257 449 Y CB 0.500 38.971 38.460 0.018 0.000 1.317 449 Y HN -0.069 nan 8.280 nan 0.000 0.587 450 D N 0.474 120.887 120.400 0.022 0.000 2.389 450 D HA -0.155 4.485 4.640 0.000 0.000 0.221 450 D C 1.855 178.196 176.300 0.069 0.000 0.974 450 D CA 1.398 55.419 54.000 0.035 0.000 0.923 450 D CB 0.079 40.904 40.800 0.042 0.000 0.892 450 D HN 0.659 nan 8.370 nan 0.000 0.518 451 H N -0.587 118.549 119.070 0.110 0.000 2.451 451 H HA 0.084 4.640 4.556 0.000 0.000 0.294 451 H C 1.188 176.589 175.328 0.122 0.000 1.028 451 H CA -0.107 55.995 56.048 0.089 0.000 1.349 451 H CB -0.424 29.373 29.762 0.059 0.000 1.444 451 H HN 0.019 nan 8.280 nan 0.000 0.538 452 L N 2.702 123.796 121.223 -0.214 0.000 2.482 452 L HA 0.236 4.576 4.340 0.000 0.000 0.273 452 L C -2.185 174.771 176.870 0.144 0.000 1.228 452 L CA -1.999 52.832 54.840 -0.016 0.000 0.827 452 L CB -0.301 41.670 42.059 -0.147 0.000 1.099 452 L HN 0.074 nan 8.230 nan 0.000 0.494 453 P HA 0.170 nan 4.420 nan 0.000 0.278 453 P C -0.170 177.289 177.300 0.265 0.000 1.238 453 P CA -0.510 62.674 63.100 0.140 0.000 0.794 453 P CB 0.947 32.694 31.700 0.078 0.000 0.955 454 E N 0.729 121.053 120.200 0.207 0.000 2.033 454 E HA -0.267 4.083 4.350 0.000 0.000 0.199 454 E C 1.818 178.602 176.600 0.307 0.000 1.011 454 E CA 1.224 57.767 56.400 0.238 0.000 0.815 454 E CB -0.398 29.342 29.700 0.067 0.000 0.755 454 E HN 0.433 nan 8.360 nan 0.000 0.451 455 Q N 0.039 119.937 119.800 0.163 0.000 2.290 455 Q HA -0.206 4.134 4.340 0.000 0.000 0.211 455 Q C 2.092 178.190 176.000 0.163 0.000 0.991 455 Q CA 1.576 57.470 55.803 0.150 0.000 0.893 455 Q CB -0.481 28.312 28.738 0.092 0.000 0.913 455 Q HN 0.369 nan 8.270 nan 0.000 0.428 456 A N -0.879 121.992 122.820 0.084 0.000 2.015 456 A HA -0.113 4.208 4.320 0.000 0.000 0.219 456 A C 1.551 179.026 177.584 -0.181 0.000 1.163 456 A CA 0.919 52.889 52.037 -0.112 0.000 0.646 456 A CB -0.566 18.251 19.000 -0.306 0.000 0.806 456 A HN 0.322 nan 8.150 nan 0.000 0.448 457 F N -2.518 117.458 119.950 0.043 0.000 2.743 457 F HA 0.180 4.707 4.527 0.000 0.000 0.297 457 F C 0.787 176.696 175.800 0.183 0.000 1.131 457 F CA -0.269 57.787 58.000 0.094 0.000 1.426 457 F CB -0.288 38.749 39.000 0.061 0.000 1.116 457 F HN 0.274 nan 8.300 nan 0.000 0.583 458 Y N 1.683 122.084 120.300 0.168 0.000 2.377 458 Y HA 0.291 4.841 4.550 0.000 0.000 0.330 458 Y C 0.606 176.506 175.900 0.001 0.000 1.108 458 Y CA -1.690 56.458 58.100 0.080 0.000 1.308 458 Y CB 0.255 38.749 38.460 0.058 0.000 1.216 458 Y HN 0.014 nan 8.280 nan 0.000 0.518 459 M N 6.168 125.395 119.600 -0.622 0.000 2.852 459 M HA -0.156 4.324 4.480 0.000 0.000 0.176 459 M C -1.146 174.962 176.300 -0.321 0.000 1.160 459 M CA 1.022 55.925 55.300 -0.661 0.000 0.702 459 M CB -2.518 29.413 32.600 -1.115 0.000 1.193 459 M HN 0.514 nan 8.290 nan 0.000 0.775 460 V N -1.909 117.902 119.914 -0.170 0.000 3.159 460 V HA 1.065 5.185 4.120 0.000 0.000 0.308 460 V C 0.487 176.533 176.094 -0.079 0.000 1.190 460 V CA -0.067 62.190 62.300 -0.072 0.000 1.037 460 V CB 1.836 33.656 31.823 -0.004 0.000 1.060 460 V HN 0.526 nan 8.190 nan 0.000 0.437 461 G N 0.676 109.455 108.800 -0.036 0.000 2.964 461 G HA2 0.491 4.451 3.960 0.000 0.000 0.191 461 G HA3 0.491 4.451 3.960 0.000 0.000 0.191 461 G C -2.410 172.479 174.900 -0.017 0.000 1.978 461 G CA -0.339 44.734 45.100 -0.046 0.000 0.861 461 G HN 0.714 nan 8.290 nan 0.000 0.584 462 P HA 0.204 nan 4.420 nan 0.000 0.274 462 P C 0.784 178.193 177.300 0.181 0.000 1.231 462 P CA -0.584 62.591 63.100 0.124 0.000 0.790 462 P CB 1.177 32.913 31.700 0.060 0.000 0.951 463 I N 1.383 122.054 120.570 0.169 0.000 2.399 463 I HA -0.301 3.869 4.170 0.000 0.000 0.254 463 I C 1.625 177.602 176.117 -0.233 0.000 1.146 463 I CA 1.926 63.108 61.300 -0.197 0.000 1.412 463 I CB -0.298 37.455 38.000 -0.411 0.000 1.076 463 I HN 0.331 nan 8.210 nan 0.000 0.432 464 E N 0.535 120.676 120.200 -0.099 0.000 2.153 464 E HA -0.210 4.141 4.350 0.000 0.000 0.194 464 E C 2.013 178.551 176.600 -0.103 0.000 0.988 464 E CA 1.388 57.734 56.400 -0.089 0.000 0.811 464 E CB -0.188 29.494 29.700 -0.031 0.000 0.746 464 E HN 0.615 nan 8.360 nan 0.000 0.466 465 E N 0.224 120.380 120.200 -0.074 0.000 2.204 465 E HA -0.113 4.237 4.350 0.000 0.000 0.194 465 E C 1.974 178.493 176.600 -0.134 0.000 0.989 465 E CA 0.808 57.167 56.400 -0.068 0.000 0.824 465 E CB -0.083 29.602 29.700 -0.024 0.000 0.756 465 E HN 0.266 nan 8.360 nan 0.000 0.477 466 A N 1.240 123.919 122.820 -0.236 0.000 1.929 466 A HA -0.073 4.247 4.320 0.000 0.000 0.216 466 A C 2.496 179.787 177.584 -0.489 0.000 1.176 466 A CA 0.763 52.526 52.037 -0.457 0.000 0.628 466 A CB -0.408 18.107 19.000 -0.808 0.000 0.816 466 A HN 0.097 nan 8.150 nan 0.000 0.444 467 V N -0.176 119.503 119.914 -0.392 0.000 2.323 467 V HA -0.191 3.929 4.120 0.000 0.000 0.244 467 V C 3.061 179.074 176.094 -0.135 0.000 1.041 467 V CA 1.812 63.966 62.300 -0.243 0.000 1.025 467 V CB -1.164 30.578 31.823 -0.135 0.000 0.656 467 V HN 0.592 nan 8.190 nan 0.000 0.451 468 A N 0.025 122.780 122.820 -0.108 0.000 1.865 468 A HA -0.298 4.022 4.320 0.000 0.000 0.217 468 A C 2.319 179.865 177.584 -0.064 0.000 1.191 468 A CA 2.341 54.340 52.037 -0.063 0.000 0.623 468 A CB -0.590 18.382 19.000 -0.046 0.000 0.826 468 A HN 0.517 nan 8.150 nan 0.000 0.444 469 K N -0.289 120.060 120.400 -0.085 0.000 2.152 469 K HA -0.135 4.185 4.320 0.000 0.000 0.206 469 K C 2.041 178.600 176.600 -0.068 0.000 1.048 469 K CA 1.249 57.497 56.287 -0.065 0.000 0.933 469 K CB -0.327 32.131 32.500 -0.069 0.000 0.721 469 K HN 0.401 nan 8.250 nan 0.000 0.447 470 A N 1.732 124.487 122.820 -0.109 0.000 1.858 470 A HA -0.208 4.112 4.320 0.000 0.000 0.216 470 A C 1.619 179.189 177.584 -0.024 0.000 1.190 470 A CA 1.997 53.989 52.037 -0.075 0.000 0.617 470 A CB -0.614 18.328 19.000 -0.096 0.000 0.827 470 A HN 0.426 nan 8.150 nan 0.000 0.443 471 D N -0.274 120.114 120.400 -0.019 0.000 2.087 471 D HA -0.183 4.457 4.640 0.000 0.000 0.192 471 D C 1.826 178.125 176.300 -0.002 0.000 0.993 471 D CA 1.667 55.665 54.000 -0.003 0.000 0.828 471 D CB -0.519 40.279 40.800 -0.003 0.000 0.968 471 D HN 0.509 nan 8.370 nan 0.000 0.448 472 K N 0.265 120.660 120.400 -0.007 0.000 2.127 472 K HA -0.134 4.186 4.320 0.000 0.000 0.208 472 K C 2.171 178.775 176.600 0.006 0.000 1.047 472 K CA 0.898 57.185 56.287 -0.001 0.000 0.927 472 K CB -0.129 32.370 32.500 -0.002 0.000 0.716 472 K HN 0.129 nan 8.250 nan 0.000 0.450 473 L N -0.438 120.788 121.223 0.006 0.000 2.313 473 L HA 0.006 4.346 4.340 0.000 0.000 0.214 473 L C 2.257 179.137 176.870 0.016 0.000 1.119 473 L CA 0.501 55.349 54.840 0.015 0.000 0.809 473 L CB -0.395 41.674 42.059 0.018 0.000 0.933 473 L HN 0.193 nan 8.230 nan 0.000 0.449 474 A N -0.459 122.369 122.820 0.013 0.000 2.204 474 A HA -0.138 4.182 4.320 0.000 0.000 0.220 474 A C 0.503 178.097 177.584 0.016 0.000 1.165 474 A CA 1.521 53.568 52.037 0.017 0.000 0.671 474 A CB -0.217 18.793 19.000 0.017 0.000 0.792 474 A HN 0.504 nan 8.150 nan 0.000 0.473 475 E N 0.000 120.208 120.200 0.014 0.000 2.725 475 E HA 0.000 4.350 4.350 0.000 0.000 0.291 475 E CA 0.000 56.408 56.400 0.013 0.000 0.976 475 E CB 0.000 29.707 29.700 0.011 0.000 0.812 475 E HN 0.000 nan 8.360 nan 0.000 0.440