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 3lbc_1_B DATA FIRST_RESID 2 DATA SEQUENCE ATNLRGVMAA LLTPFDQQQA LDKASLRRLV QFNIQQGIDG LYVGGSTGEA DATA SEQUENCE FVQSLSEREQ VLEIVAEEAK GKIKLIAHVG CVSTAESQQL AASAKRYGFD DATA SEQUENCE AVSAVTPFYY PFSFEEHCDH YRAIIDSADG LPMVVYNIPA LSGVKLTLDQ DATA SEQUENCE INTLVTLPGV GALKQTSGDL YQMEQIRREH PDLVLYNGYD EIFASGLLAG DATA SEQUENCE ADGGIGSTYN IMGWRYQGIV KALKEGDIQT AQKLQTECNK VIDLLIKTGV DATA SEQUENCE FRGLKTVLHY MDVVSVPLCR KPFGPVDEKY LPELKALAQQ LMQER 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.603 177.584 0.031 0.000 1.274 2 A CA 0.000 52.056 52.037 0.031 0.000 0.836 2 A CB 0.000 19.024 19.000 0.040 0.000 0.831 3 T N -1.358 113.212 114.554 0.028 0.000 3.278 3 T HA 0.404 4.754 4.350 0.000 0.000 0.251 3 T C 0.199 174.918 174.700 0.032 0.000 1.039 3 T CA 0.562 62.679 62.100 0.027 0.000 0.935 3 T CB -1.376 67.505 68.868 0.021 0.000 1.034 3 T HN 1.231 nan 8.240 nan 0.000 0.575 4 N N -0.349 118.374 118.700 0.039 0.000 2.774 4 N HA 0.453 5.194 4.740 0.000 0.000 0.264 4 N C 0.025 175.575 175.510 0.068 0.000 1.415 4 N CA -1.263 51.813 53.050 0.043 0.000 0.815 4 N CB 0.692 39.196 38.487 0.028 0.000 1.514 4 N HN -0.017 nan 8.380 nan 0.000 0.523 5 L N -0.908 120.363 121.223 0.079 0.000 2.592 5 L HA 0.313 4.653 4.340 0.000 0.000 0.227 5 L C 0.397 177.370 176.870 0.172 0.000 1.127 5 L CA -0.199 54.732 54.840 0.151 0.000 0.884 5 L CB -0.275 41.900 42.059 0.193 0.000 1.065 5 L HN 0.306 nan 8.230 nan 0.000 0.457 6 R N 0.873 121.411 120.500 0.064 0.000 2.623 6 R HA 0.439 4.779 4.340 0.000 0.000 0.271 6 R C 0.385 176.771 176.300 0.144 0.000 1.043 6 R CA 0.628 56.750 56.100 0.036 0.000 1.083 6 R CB 0.364 30.662 30.300 -0.004 0.000 0.974 6 R HN 0.196 nan 8.270 nan 0.000 0.436 7 G N 0.156 109.082 108.800 0.210 0.000 2.369 7 G HA2 0.058 4.018 3.960 0.000 0.000 0.293 7 G HA3 0.058 4.018 3.960 0.000 0.000 0.293 7 G C -1.671 173.408 174.900 0.298 0.000 1.301 7 G CA -1.037 44.196 45.100 0.222 0.000 0.913 7 G HN 0.375 nan 8.290 nan 0.000 0.540 8 V N 2.114 122.160 119.914 0.218 0.000 2.318 8 V HA 0.581 4.701 4.120 0.000 0.000 0.271 8 V C 0.155 176.363 176.094 0.191 0.000 1.030 8 V CA -0.342 62.078 62.300 0.200 0.000 0.844 8 V CB 0.959 32.792 31.823 0.017 0.000 1.015 8 V HN 0.609 nan 8.190 nan 0.000 0.460 9 M N 4.181 123.910 119.600 0.215 0.000 2.227 9 M HA 0.637 5.117 4.480 0.000 0.000 0.335 9 M C 0.015 176.341 176.300 0.044 0.000 1.053 9 M CA -0.519 54.834 55.300 0.088 0.000 0.973 9 M CB 1.665 34.227 32.600 -0.064 0.000 1.623 9 M HN 0.548 nan 8.290 nan 0.000 0.434 10 A N 2.641 125.501 122.820 0.067 0.000 2.401 10 A HA 0.676 4.997 4.320 0.000 0.000 0.259 10 A C 0.392 177.896 177.584 -0.132 0.000 1.103 10 A CA -0.495 51.514 52.037 -0.047 0.000 0.789 10 A CB 0.225 19.259 19.000 0.056 0.000 1.035 10 A HN 0.949 nan 8.150 nan 0.000 0.491 11 A N 2.908 125.575 122.820 -0.255 0.000 2.437 11 A HA 0.480 4.800 4.320 0.000 0.000 0.303 11 A C 0.067 177.578 177.584 -0.121 0.000 1.324 11 A CA -0.372 51.574 52.037 -0.151 0.000 0.983 11 A CB -0.503 18.361 19.000 -0.227 0.000 1.142 11 A HN 1.089 nan 8.150 nan 0.000 0.541 12 L N 3.327 124.504 121.223 -0.076 0.000 2.499 12 L HA 0.213 4.553 4.340 0.000 0.000 0.273 12 L C -0.017 176.752 176.870 -0.168 0.000 1.195 12 L CA 0.615 55.399 54.840 -0.093 0.000 0.882 12 L CB 0.130 42.151 42.059 -0.063 0.000 1.133 12 L HN 0.618 nan 8.230 nan 0.000 0.483 13 L N 3.893 125.008 121.223 -0.179 0.000 2.421 13 L HA 0.417 4.757 4.340 0.000 0.000 0.263 13 L C 0.338 177.039 176.870 -0.282 0.000 1.122 13 L CA -0.400 54.280 54.840 -0.267 0.000 0.804 13 L CB 1.032 42.960 42.059 -0.219 0.000 1.150 13 L HN 0.548 nan 8.230 nan 0.000 0.457 14 T N 2.144 116.459 114.554 -0.399 0.000 2.821 14 T HA 0.345 4.695 4.350 0.000 0.000 0.307 14 T C -2.490 171.697 174.700 -0.855 0.000 1.034 14 T CA -1.218 60.553 62.100 -0.549 0.000 0.953 14 T CB 1.238 69.757 68.868 -0.582 0.000 0.968 14 T HN 0.226 nan 8.240 nan 0.000 0.462 15 P HA 0.397 nan 4.420 nan 0.000 0.276 15 P C -0.892 176.084 177.300 -0.539 0.000 1.230 15 P CA -0.305 62.523 63.100 -0.452 0.000 0.776 15 P CB 0.389 31.956 31.700 -0.221 0.000 0.888 16 F N 0.969 120.898 119.950 -0.034 0.000 2.579 16 F HA 0.374 4.901 4.527 0.000 0.000 0.324 16 F C 0.795 176.580 175.800 -0.025 0.000 1.058 16 F CA -0.700 57.286 58.000 -0.023 0.000 0.944 16 F CB 0.844 39.837 39.000 -0.013 0.000 1.245 16 F HN 0.265 nan 8.300 nan 0.000 0.477 17 D N -0.561 119.958 120.400 0.198 0.000 2.506 17 D HA 0.151 4.791 4.640 0.000 0.000 0.272 17 D C 0.725 177.068 176.300 0.071 0.000 1.214 17 D CA -0.413 53.643 54.000 0.092 0.000 1.067 17 D CB 0.361 41.199 40.800 0.063 0.000 1.117 17 D HN 0.332 nan 8.370 nan 0.000 0.578 18 Q N -1.052 118.768 119.800 0.034 0.000 2.248 18 Q HA -0.137 4.203 4.340 0.000 0.000 0.208 18 Q C 1.212 177.220 176.000 0.013 0.000 0.984 18 Q CA 1.243 57.056 55.803 0.018 0.000 0.875 18 Q CB -0.180 28.562 28.738 0.008 0.000 0.910 18 Q HN 0.538 nan 8.270 nan 0.000 0.433 19 Q N 0.038 119.848 119.800 0.016 0.000 2.320 19 Q HA 0.057 4.397 4.340 0.000 0.000 0.201 19 Q C 0.104 176.090 176.000 -0.023 0.000 0.910 19 Q CA 0.042 55.844 55.803 -0.001 0.000 0.946 19 Q CB 0.415 29.155 28.738 0.004 0.000 1.062 19 Q HN 0.381 nan 8.270 nan 0.000 0.503 20 Q N -1.569 118.219 119.800 -0.020 0.000 2.489 20 Q HA -0.186 4.154 4.340 0.000 0.000 0.259 20 Q C -0.255 175.653 176.000 -0.152 0.000 0.934 20 Q CA 0.856 56.578 55.803 -0.135 0.000 1.131 20 Q CB -2.045 26.563 28.738 -0.216 0.000 1.472 20 Q HN 0.403 nan 8.270 nan 0.000 0.560 21 A N 0.582 123.426 122.820 0.040 0.000 2.282 21 A HA 0.637 4.957 4.320 0.000 0.000 0.319 21 A C 0.051 177.803 177.584 0.281 0.000 1.121 21 A CA -0.581 51.518 52.037 0.102 0.000 0.836 21 A CB 0.721 19.756 19.000 0.059 0.000 1.146 21 A HN 0.259 nan 8.150 nan 0.000 0.494 22 L N 0.988 122.379 121.223 0.279 0.000 2.578 22 L HA 0.093 4.433 4.340 0.000 0.000 0.279 22 L C -0.072 176.855 176.870 0.095 0.000 1.227 22 L CA 0.553 55.521 54.840 0.213 0.000 0.900 22 L CB 0.136 42.262 42.059 0.112 0.000 1.144 22 L HN 0.636 nan 8.230 nan 0.000 0.496 23 D N 4.416 124.834 120.400 0.030 0.000 2.500 23 D HA 0.114 4.754 4.640 0.000 0.000 0.219 23 D C 0.830 177.111 176.300 -0.031 0.000 1.137 23 D CA -0.157 53.845 54.000 0.002 0.000 0.946 23 D CB 0.576 41.368 40.800 -0.013 0.000 1.022 23 D HN 0.635 nan 8.370 nan 0.000 0.518 24 K N 1.676 122.065 120.400 -0.017 0.000 2.044 24 K HA -0.183 4.137 4.320 0.000 0.000 0.210 24 K C 1.906 178.487 176.600 -0.031 0.000 1.049 24 K CA 1.513 57.783 56.287 -0.028 0.000 0.927 24 K CB 0.006 32.495 32.500 -0.018 0.000 0.713 24 K HN 0.379 nan 8.250 nan 0.000 0.443 25 A N 1.184 123.991 122.820 -0.022 0.000 1.908 25 A HA -0.188 4.133 4.320 0.000 0.000 0.218 25 A C 2.256 179.823 177.584 -0.029 0.000 1.181 25 A CA 2.054 54.079 52.037 -0.021 0.000 0.627 25 A CB -0.573 18.419 19.000 -0.013 0.000 0.818 25 A HN 0.205 nan 8.150 nan 0.000 0.445 26 S N -0.759 114.919 115.700 -0.037 0.000 2.387 26 S HA -0.077 4.393 4.470 0.000 0.000 0.226 26 S C 1.831 176.394 174.600 -0.062 0.000 1.026 26 S CA 1.157 59.327 58.200 -0.050 0.000 0.972 26 S CB -0.370 62.795 63.200 -0.058 0.000 0.814 26 S HN 0.494 nan 8.310 nan 0.000 0.477 27 L N 2.504 123.683 121.223 -0.073 0.000 2.012 27 L HA -0.076 4.264 4.340 0.000 0.000 0.210 27 L C 2.194 179.036 176.870 -0.047 0.000 1.073 27 L CA 1.764 56.556 54.840 -0.080 0.000 0.748 27 L CB -0.499 41.506 42.059 -0.090 0.000 0.891 27 L HN 0.134 nan 8.230 nan 0.000 0.431 28 R N -0.856 119.622 120.500 -0.037 0.000 2.081 28 R HA -0.134 4.206 4.340 0.000 0.000 0.235 28 R C 2.397 178.696 176.300 -0.002 0.000 1.131 28 R CA 1.544 57.631 56.100 -0.022 0.000 0.960 28 R CB -0.449 29.837 30.300 -0.022 0.000 0.856 28 R HN 0.405 nan 8.270 nan 0.000 0.436 29 R N 0.465 120.962 120.500 -0.005 0.000 2.081 29 R HA -0.120 4.220 4.340 0.000 0.000 0.235 29 R C 2.300 178.633 176.300 0.055 0.000 1.131 29 R CA 1.054 57.161 56.100 0.013 0.000 0.960 29 R CB -0.402 29.885 30.300 -0.022 0.000 0.856 29 R HN 0.103 nan 8.270 nan 0.000 0.436 30 L N 0.705 121.946 121.223 0.030 0.000 2.046 30 L HA -0.134 4.206 4.340 0.000 0.000 0.208 30 L C 2.043 178.989 176.870 0.126 0.000 1.077 30 L CA 1.518 56.408 54.840 0.084 0.000 0.747 30 L CB -0.335 41.732 42.059 0.013 0.000 0.896 30 L HN -0.096 nan 8.230 nan 0.000 0.432 31 V N -0.499 119.450 119.914 0.058 0.000 2.295 31 V HA -0.283 3.837 4.120 0.000 0.000 0.246 31 V C 2.677 178.807 176.094 0.060 0.000 1.049 31 V CA 1.706 64.031 62.300 0.041 0.000 1.024 31 V CB -0.670 31.154 31.823 0.002 0.000 0.648 31 V HN 0.498 nan 8.190 nan 0.000 0.447 32 Q N -1.037 118.806 119.800 0.071 0.000 2.084 32 Q HA -0.175 4.165 4.340 0.000 0.000 0.202 32 Q C 2.083 178.157 176.000 0.123 0.000 0.978 32 Q CA 1.663 57.510 55.803 0.074 0.000 0.844 32 Q CB -0.662 28.115 28.738 0.066 0.000 0.898 32 Q HN 0.647 nan 8.270 nan 0.000 0.426 33 F N 2.368 122.325 119.950 0.013 0.000 2.095 33 F HA -0.197 4.330 4.527 0.000 0.000 0.298 33 F C 1.841 177.673 175.800 0.055 0.000 1.104 33 F CA 1.268 59.288 58.000 0.033 0.000 1.232 33 F CB -0.306 38.716 39.000 0.036 0.000 0.987 33 F HN 0.110 nan 8.300 nan 0.000 0.475 34 N N 0.755 119.477 118.700 0.037 0.000 2.120 34 N HA -0.175 4.565 4.740 0.000 0.000 0.188 34 N C 2.121 177.597 175.510 -0.057 0.000 1.024 34 N CA 1.910 54.933 53.050 -0.045 0.000 0.852 34 N CB -0.352 38.159 38.487 0.039 0.000 1.003 34 N HN 0.358 nan 8.380 nan 0.000 0.424 35 I N 1.338 121.896 120.570 -0.020 0.000 2.226 35 I HA -0.272 3.898 4.170 0.000 0.000 0.245 35 I C 2.651 178.744 176.117 -0.041 0.000 1.100 35 I CA 1.017 62.305 61.300 -0.020 0.000 1.374 35 I CB -0.291 37.705 38.000 -0.007 0.000 1.057 35 I HN 0.213 nan 8.210 nan 0.000 0.413 36 Q N 0.885 120.648 119.800 -0.060 0.000 2.170 36 Q HA -0.244 4.097 4.340 0.000 0.000 0.203 36 Q C 2.091 178.017 176.000 -0.124 0.000 0.976 36 Q CA 1.359 57.116 55.803 -0.077 0.000 0.858 36 Q CB 0.045 28.750 28.738 -0.054 0.000 0.907 36 Q HN 0.563 nan 8.270 nan 0.000 0.433 37 Q N -1.035 118.656 119.800 -0.180 0.000 2.369 37 Q HA -0.001 4.339 4.340 0.000 0.000 0.206 37 Q C 0.693 176.685 176.000 -0.014 0.000 0.963 37 Q CA 0.647 56.381 55.803 -0.115 0.000 0.894 37 Q CB 0.346 29.026 28.738 -0.097 0.000 0.965 37 Q HN 0.626 nan 8.270 nan 0.000 0.475 38 G N 1.302 110.088 108.800 -0.023 0.000 2.140 38 G HA2 -0.241 3.719 3.960 0.000 0.000 0.211 38 G HA3 -0.241 3.719 3.960 0.000 0.000 0.211 38 G C -0.142 174.772 174.900 0.023 0.000 1.013 38 G CA -0.223 44.880 45.100 0.005 0.000 0.705 38 G HN 0.259 nan 8.290 nan 0.000 0.508 39 I N 0.635 121.216 120.570 0.018 0.000 2.779 39 I HA 0.314 4.485 4.170 0.000 0.000 0.285 39 I C 1.197 177.338 176.117 0.040 0.000 1.134 39 I CA -0.297 61.024 61.300 0.034 0.000 1.398 39 I CB 0.667 38.690 38.000 0.038 0.000 1.404 39 I HN 0.141 nan 8.210 nan 0.000 0.587 40 D N 4.389 124.824 120.400 0.059 0.000 2.289 40 D HA 0.180 4.820 4.640 0.000 0.000 0.207 40 D C 0.565 176.902 176.300 0.062 0.000 0.966 40 D CA 0.981 55.020 54.000 0.065 0.000 0.868 40 D CB 0.279 41.134 40.800 0.093 0.000 0.943 40 D HN 0.671 nan 8.370 nan 0.000 0.514 41 G N -0.647 108.189 108.800 0.061 0.000 2.342 41 G HA2 0.487 4.447 3.960 0.000 0.000 0.297 41 G HA3 0.487 4.447 3.960 0.000 0.000 0.297 41 G C -1.994 172.935 174.900 0.047 0.000 1.313 41 G CA -0.830 44.301 45.100 0.051 0.000 0.830 41 G HN 0.026 nan 8.290 nan 0.000 0.506 42 L N -0.154 121.098 121.223 0.048 0.000 2.401 42 L HA 0.524 4.864 4.340 0.000 0.000 0.266 42 L C -1.448 175.478 176.870 0.094 0.000 0.991 42 L CA -0.991 53.880 54.840 0.052 0.000 0.818 42 L CB 2.656 44.737 42.059 0.036 0.000 1.321 42 L HN 0.630 nan 8.230 nan 0.000 0.413 43 Y N 2.894 123.138 120.300 -0.094 0.000 2.369 43 Y HA 0.568 5.118 4.550 0.000 0.000 0.337 43 Y C -0.687 175.164 175.900 -0.083 0.000 0.961 43 Y CA -0.620 57.408 58.100 -0.119 0.000 1.186 43 Y CB 1.171 39.480 38.460 -0.253 0.000 1.139 43 Y HN 0.212 nan 8.280 nan 0.000 0.494 44 V N 5.207 124.987 119.914 -0.223 0.000 2.483 44 V HA 0.595 4.716 4.120 0.000 0.000 0.295 44 V C 0.716 176.649 176.094 -0.269 0.000 1.035 44 V CA -0.207 61.992 62.300 -0.169 0.000 0.896 44 V CB 1.169 32.995 31.823 0.005 0.000 0.986 44 V HN 1.017 nan 8.190 nan 0.000 0.447 45 G N 3.021 111.707 108.800 -0.190 0.000 2.137 45 G HA2 -0.125 3.835 3.960 0.000 0.000 0.237 45 G HA3 -0.125 3.835 3.960 0.000 0.000 0.237 45 G C 0.448 175.277 174.900 -0.119 0.000 1.002 45 G CA 0.148 45.153 45.100 -0.158 0.000 0.702 45 G HN 1.329 nan 8.290 nan 0.000 0.515 46 G N -0.616 108.067 108.800 -0.194 0.000 2.543 46 G HA2 0.581 4.542 3.960 0.000 0.000 0.267 46 G HA3 0.581 4.542 3.960 0.000 0.000 0.267 46 G C 1.308 176.102 174.900 -0.177 0.000 1.406 46 G CA 0.934 45.889 45.100 -0.241 0.000 1.048 46 G HN 0.629 nan 8.290 nan 0.000 0.548 47 S N -0.588 115.146 115.700 0.058 0.000 2.359 47 S HA -0.165 4.305 4.470 0.000 0.000 0.224 47 S C 2.488 177.081 174.600 -0.011 0.000 1.035 47 S CA 2.044 60.385 58.200 0.235 0.000 1.018 47 S CB -0.574 62.873 63.200 0.412 0.000 0.876 47 S HN 0.601 nan 8.310 nan 0.000 0.448 48 T N 1.319 115.756 114.554 -0.195 0.000 2.881 48 T HA -0.035 4.315 4.350 0.000 0.000 0.270 48 T C 1.746 176.005 174.700 -0.735 0.000 1.068 48 T CA 1.234 62.883 62.100 -0.752 0.000 1.131 48 T CB -0.490 68.157 68.868 -0.369 0.000 0.871 48 T HN 0.561 nan 8.240 nan 0.000 0.479 49 G N 0.392 108.962 108.800 -0.383 0.000 3.088 49 G HA2 0.141 4.101 3.960 0.000 0.000 0.212 49 G HA3 0.141 4.101 3.960 0.000 0.000 0.212 49 G C 0.198 174.978 174.900 -0.200 0.000 1.173 49 G CA -0.208 44.714 45.100 -0.296 0.000 0.779 49 G HN 0.568 nan 8.290 nan 0.000 0.540 50 E N -1.482 118.609 120.200 -0.182 0.000 2.586 50 E HA -0.303 4.047 4.350 0.000 0.000 0.259 50 E C 1.721 178.367 176.600 0.077 0.000 1.107 50 E CA 0.065 56.518 56.400 0.088 0.000 0.754 50 E CB -1.358 28.497 29.700 0.259 0.000 1.335 50 E HN 0.522 nan 8.360 nan 0.000 0.411 51 A N -0.224 122.517 122.820 -0.130 0.000 1.972 51 A HA -0.127 4.193 4.320 0.000 0.000 0.219 51 A C 1.441 178.908 177.584 -0.195 0.000 1.169 51 A CA 1.338 53.236 52.037 -0.231 0.000 0.635 51 A CB -0.351 18.390 19.000 -0.432 0.000 0.810 51 A HN 0.305 nan 8.150 nan 0.000 0.446 52 F N -0.493 119.578 119.950 0.201 0.000 2.771 52 F HA 0.072 4.599 4.527 0.000 0.000 0.299 52 F C 1.499 177.397 175.800 0.162 0.000 1.177 52 F CA 0.797 58.922 58.000 0.209 0.000 1.450 52 F CB -0.033 39.106 39.000 0.233 0.000 1.114 52 F HN 0.153 nan 8.300 nan 0.000 0.587 53 V N -3.211 116.853 119.914 0.251 0.000 3.070 53 V HA 0.357 4.477 4.120 0.000 0.000 0.345 53 V C -0.044 176.113 176.094 0.105 0.000 1.403 53 V CA -0.334 62.069 62.300 0.171 0.000 1.155 53 V CB -0.648 31.282 31.823 0.178 0.000 1.140 53 V HN 0.106 nan 8.190 nan 0.000 0.505 54 Q N 1.234 121.097 119.800 0.105 0.000 2.387 54 Q HA 0.658 4.999 4.340 0.000 0.000 0.273 54 Q C 0.000 176.037 176.000 0.061 0.000 1.089 54 Q CA -0.312 55.537 55.803 0.076 0.000 0.824 54 Q CB 2.624 31.413 28.738 0.084 0.000 1.367 54 Q HN 0.652 nan 8.270 nan 0.000 0.443 55 S N 0.317 116.044 115.700 0.045 0.000 2.645 55 S HA 0.168 4.638 4.470 0.000 0.000 0.266 55 S C 0.863 175.482 174.600 0.031 0.000 1.258 55 S CA -0.580 57.642 58.200 0.037 0.000 0.990 55 S CB 0.649 63.865 63.200 0.027 0.000 0.967 55 S HN 0.637 nan 8.310 nan 0.000 0.556 56 L N 1.875 123.113 121.223 0.025 0.000 2.042 56 L HA -0.095 4.246 4.340 0.000 0.000 0.210 56 L C 2.838 179.717 176.870 0.014 0.000 1.076 56 L CA 2.546 57.394 54.840 0.014 0.000 0.749 56 L CB -1.249 40.814 42.059 0.008 0.000 0.893 56 L HN 1.008 nan 8.230 nan 0.000 0.432 57 S N -1.775 113.937 115.700 0.020 0.000 2.402 57 S HA -0.177 4.293 4.470 0.000 0.000 0.229 57 S C 1.774 176.393 174.600 0.031 0.000 1.021 57 S CA 1.121 59.337 58.200 0.027 0.000 0.974 57 S CB -0.589 62.626 63.200 0.025 0.000 0.800 57 S HN 0.594 nan 8.310 nan 0.000 0.484 58 E N 1.262 121.481 120.200 0.032 0.000 2.107 58 E HA -0.030 4.320 4.350 0.000 0.000 0.191 58 E C 2.471 179.089 176.600 0.030 0.000 0.982 58 E CA 0.760 57.185 56.400 0.042 0.000 0.809 58 E CB -0.120 29.617 29.700 0.061 0.000 0.756 58 E HN 0.535 nan 8.360 nan 0.000 0.459 59 R N 0.817 121.326 120.500 0.015 0.000 2.075 59 R HA -0.126 4.214 4.340 0.000 0.000 0.232 59 R C 2.346 178.639 176.300 -0.012 0.000 1.126 59 R CA 1.139 57.230 56.100 -0.015 0.000 0.963 59 R CB -0.126 30.152 30.300 -0.037 0.000 0.858 59 R HN 0.197 nan 8.270 nan 0.000 0.435 60 E N 0.932 121.143 120.200 0.019 0.000 2.110 60 E HA -0.260 4.090 4.350 0.000 0.000 0.193 60 E C 2.043 178.681 176.600 0.063 0.000 0.988 60 E CA 1.095 57.542 56.400 0.079 0.000 0.804 60 E CB 0.127 29.892 29.700 0.109 0.000 0.745 60 E HN 0.315 nan 8.360 nan 0.000 0.458 61 Q N 0.171 119.985 119.800 0.024 0.000 2.084 61 Q HA -0.150 4.191 4.340 0.000 0.000 0.202 61 Q C 2.193 178.161 176.000 -0.054 0.000 0.978 61 Q CA 1.649 57.442 55.803 -0.016 0.000 0.844 61 Q CB 0.144 28.883 28.738 0.003 0.000 0.898 61 Q HN 0.208 nan 8.270 nan 0.000 0.426 62 V N 1.090 120.984 119.914 -0.034 0.000 2.343 62 V HA -0.278 3.842 4.120 0.000 0.000 0.247 62 V C 2.332 178.410 176.094 -0.026 0.000 1.051 62 V CA 1.466 63.740 62.300 -0.043 0.000 1.036 62 V CB -0.496 31.298 31.823 -0.049 0.000 0.654 62 V HN 0.402 nan 8.190 nan 0.000 0.451 63 L N -0.176 121.040 121.223 -0.012 0.000 2.017 63 L HA -0.233 4.107 4.340 0.000 0.000 0.208 63 L C 2.603 179.489 176.870 0.026 0.000 1.073 63 L CA 2.179 57.079 54.840 0.100 0.000 0.745 63 L CB -0.611 41.459 42.059 0.018 0.000 0.894 63 L HN 0.443 nan 8.230 nan 0.000 0.432 64 E N 0.851 120.813 120.200 -0.397 0.000 2.051 64 E HA -0.238 4.112 4.350 0.000 0.000 0.192 64 E C 2.317 178.706 176.600 -0.350 0.000 0.991 64 E CA 1.377 57.285 56.400 -0.821 0.000 0.799 64 E CB -0.045 29.141 29.700 -0.857 0.000 0.748 64 E HN 0.442 nan 8.360 nan 0.000 0.449 65 I N 0.549 121.000 120.570 -0.199 0.000 2.179 65 I HA -0.255 3.915 4.170 0.000 0.000 0.242 65 I C 2.408 178.466 176.117 -0.098 0.000 1.088 65 I CA 0.744 61.970 61.300 -0.123 0.000 1.357 65 I CB -0.165 37.784 38.000 -0.085 0.000 1.051 65 I HN 0.089 nan 8.210 nan 0.000 0.409 66 V N 1.092 120.967 119.914 -0.064 0.000 2.407 66 V HA -0.295 3.825 4.120 0.000 0.000 0.248 66 V C 2.719 178.730 176.094 -0.137 0.000 1.055 66 V CA 1.933 64.200 62.300 -0.054 0.000 1.049 66 V CB -1.071 30.771 31.823 0.031 0.000 0.662 66 V HN 0.493 nan 8.190 nan 0.000 0.455 67 A N -0.118 122.590 122.820 -0.187 0.000 1.877 67 A HA -0.256 4.064 4.320 0.000 0.000 0.216 67 A C 2.177 179.651 177.584 -0.183 0.000 1.186 67 A CA 1.942 53.798 52.037 -0.301 0.000 0.620 67 A CB -0.511 18.345 19.000 -0.239 0.000 0.822 67 A HN 0.619 nan 8.150 nan 0.000 0.443 68 E N -0.433 119.682 120.200 -0.142 0.000 2.118 68 E HA -0.191 4.159 4.350 0.000 0.000 0.195 68 E C 1.956 178.507 176.600 -0.081 0.000 0.992 68 E CA 1.255 57.597 56.400 -0.097 0.000 0.804 68 E CB -0.106 29.541 29.700 -0.088 0.000 0.741 68 E HN 0.562 nan 8.360 nan 0.000 0.458 69 E N -0.298 119.852 120.200 -0.084 0.000 2.112 69 E HA -0.045 4.305 4.350 0.000 0.000 0.190 69 E C 1.445 178.006 176.600 -0.066 0.000 0.979 69 E CA 1.002 57.364 56.400 -0.063 0.000 0.814 69 E CB 0.264 29.933 29.700 -0.051 0.000 0.762 69 E HN 0.226 nan 8.360 nan 0.000 0.460 70 A N 0.577 123.339 122.820 -0.096 0.000 2.456 70 A HA 0.087 4.408 4.320 0.000 0.000 0.237 70 A C 0.946 178.458 177.584 -0.119 0.000 1.217 70 A CA -0.350 51.631 52.037 -0.093 0.000 0.962 70 A CB 0.182 19.131 19.000 -0.085 0.000 1.079 70 A HN -0.019 nan 8.150 nan 0.000 0.536 71 K N 0.622 120.928 120.400 -0.158 0.000 2.491 71 K HA 0.227 4.547 4.320 0.000 0.000 0.279 71 K C 1.216 177.760 176.600 -0.093 0.000 1.026 71 K CA 1.224 57.414 56.287 -0.160 0.000 1.070 71 K CB -0.190 32.216 32.500 -0.157 0.000 0.887 71 K HN 0.926 nan 8.250 nan 0.000 0.481 72 G N 3.749 112.503 108.800 -0.077 0.000 2.225 72 G HA2 -0.313 3.647 3.960 0.000 0.000 0.254 72 G HA3 -0.313 3.647 3.960 0.000 0.000 0.254 72 G C 0.764 175.643 174.900 -0.034 0.000 0.988 72 G CA 0.645 45.718 45.100 -0.045 0.000 0.625 72 G HN 0.710 nan 8.290 nan 0.000 0.527 73 K N -0.294 120.082 120.400 -0.041 0.000 2.214 73 K HA 0.421 4.741 4.320 0.000 0.000 0.201 73 K C 1.191 177.780 176.600 -0.019 0.000 1.049 73 K CA 1.256 57.526 56.287 -0.027 0.000 0.978 73 K CB 0.437 32.919 32.500 -0.029 0.000 0.842 73 K HN 0.649 nan 8.250 nan 0.000 0.474 74 I N -1.766 118.789 120.570 -0.025 0.000 3.195 74 I HA 0.402 4.572 4.170 0.000 0.000 0.313 74 I C -1.410 174.699 176.117 -0.013 0.000 1.237 74 I CA -1.194 60.102 61.300 -0.008 0.000 0.963 74 I CB 1.320 39.321 38.000 0.000 0.000 1.278 74 I HN -0.238 nan 8.210 nan 0.000 0.460 75 K N 2.493 122.903 120.400 0.017 0.000 2.382 75 K HA 0.513 4.833 4.320 0.000 0.000 0.275 75 K C -0.755 175.859 176.600 0.024 0.000 1.009 75 K CA -0.180 56.125 56.287 0.030 0.000 0.970 75 K CB 0.655 33.199 32.500 0.074 0.000 0.934 75 K HN 0.566 nan 8.250 nan 0.000 0.479 76 L N 4.318 125.555 121.223 0.024 0.000 2.376 76 L HA 0.488 4.828 4.340 0.000 0.000 0.275 76 L C -0.272 176.767 176.870 0.282 0.000 0.987 76 L CA -0.556 54.321 54.840 0.062 0.000 0.828 76 L CB 1.278 43.170 42.059 -0.277 0.000 1.249 76 L HN 0.399 nan 8.230 nan 0.000 0.409 77 I N 2.811 123.542 120.570 0.269 0.000 2.378 77 I HA 0.526 4.696 4.170 0.000 0.000 0.291 77 I C 0.204 176.323 176.117 0.004 0.000 0.992 77 I CA -0.504 60.907 61.300 0.186 0.000 1.154 77 I CB 2.055 40.152 38.000 0.162 0.000 1.315 77 I HN 0.620 nan 8.210 nan 0.000 0.448 78 A N 5.901 128.614 122.820 -0.178 0.000 2.253 78 A HA 0.267 4.587 4.320 0.000 0.000 0.316 78 A C -0.359 176.963 177.584 -0.437 0.000 1.327 78 A CA -0.401 51.311 52.037 -0.543 0.000 0.917 78 A CB 0.008 18.387 19.000 -1.035 0.000 1.162 78 A HN 0.795 nan 8.150 nan 0.000 0.535 79 H N 3.702 122.423 119.070 -0.582 0.000 2.864 79 H HA 0.273 4.829 4.556 0.000 0.000 0.281 79 H C 0.447 175.629 175.328 -0.243 0.000 1.093 79 H CA 0.693 56.483 56.048 -0.430 0.000 1.453 79 H CB 1.257 30.698 29.762 -0.535 0.000 1.462 79 H HN 0.550 nan 8.280 nan 0.000 0.480 80 V N 2.648 122.165 119.914 -0.661 0.000 3.483 80 V HA 0.401 4.521 4.120 0.000 0.000 0.301 80 V C 1.059 176.911 176.094 -0.404 0.000 1.389 80 V CA 0.104 62.140 62.300 -0.440 0.000 1.101 80 V CB 0.001 31.650 31.823 -0.290 0.000 0.971 80 V HN 0.678 nan 8.190 nan 0.000 0.434 81 G N -0.127 108.251 108.800 -0.704 0.000 2.398 81 G HA2 0.419 4.380 3.960 0.000 0.000 0.246 81 G HA3 0.419 4.380 3.960 0.000 0.000 0.246 81 G C -0.344 174.707 174.900 0.251 0.000 1.289 81 G CA 0.474 45.512 45.100 -0.102 0.000 0.869 81 G HN 0.556 nan 8.290 nan 0.000 0.543 82 C N 0.727 120.171 119.300 0.240 0.000 3.285 82 C HA 0.362 4.822 4.460 0.000 0.000 0.320 82 C C 1.654 176.676 174.990 0.054 0.000 1.411 82 C CA -0.527 58.629 59.018 0.230 0.000 1.429 82 C CB 1.419 29.229 27.740 0.116 0.000 1.812 82 C HN 0.537 nan 8.230 nan 0.000 0.454 83 V N 1.136 120.965 119.914 -0.141 0.000 2.379 83 V HA -0.070 4.050 4.120 0.000 0.000 0.245 83 V C 1.348 177.377 176.094 -0.109 0.000 1.044 83 V CA 1.995 64.135 62.300 -0.265 0.000 1.036 83 V CB -0.324 31.319 31.823 -0.301 0.000 0.664 83 V HN 0.878 nan 8.190 nan 0.000 0.453 84 S N -0.305 115.383 115.700 -0.020 0.000 2.531 84 S HA 0.040 4.511 4.470 0.000 0.000 0.279 84 S C 1.342 175.975 174.600 0.056 0.000 1.305 84 S CA 0.171 58.373 58.200 0.004 0.000 1.058 84 S CB 1.296 64.500 63.200 0.007 0.000 0.899 84 S HN 0.473 nan 8.310 nan 0.000 0.493 85 T N 5.259 119.837 114.554 0.041 0.000 2.737 85 T HA -0.032 4.319 4.350 0.000 0.000 0.265 85 T C 2.187 176.836 174.700 -0.086 0.000 1.038 85 T CA 1.397 63.492 62.100 -0.009 0.000 1.144 85 T CB -0.702 68.146 68.868 -0.034 0.000 0.866 85 T HN 0.810 nan 8.240 nan 0.000 0.434 86 A N 1.766 124.550 122.820 -0.060 0.000 1.917 86 A HA -0.206 4.114 4.320 0.000 0.000 0.219 86 A C 2.192 179.742 177.584 -0.057 0.000 1.182 86 A CA 1.901 53.901 52.037 -0.061 0.000 0.633 86 A CB -0.639 18.334 19.000 -0.044 0.000 0.819 86 A HN 0.596 nan 8.150 nan 0.000 0.448 87 E N -0.256 119.921 120.200 -0.038 0.000 2.106 87 E HA -0.099 4.252 4.350 0.000 0.000 0.192 87 E C 2.304 178.871 176.600 -0.055 0.000 0.984 87 E CA 1.191 57.572 56.400 -0.032 0.000 0.806 87 E CB -0.131 29.567 29.700 -0.004 0.000 0.750 87 E HN 0.606 nan 8.360 nan 0.000 0.458 88 S N 1.075 116.734 115.700 -0.067 0.000 2.382 88 S HA -0.190 4.280 4.470 0.000 0.000 0.228 88 S C 1.925 176.436 174.600 -0.149 0.000 1.027 88 S CA 0.991 59.121 58.200 -0.117 0.000 0.991 88 S CB -0.155 62.947 63.200 -0.164 0.000 0.823 88 S HN 0.269 nan 8.310 nan 0.000 0.469 89 Q N 0.848 120.562 119.800 -0.143 0.000 2.124 89 Q HA -0.132 4.208 4.340 0.000 0.000 0.202 89 Q C 2.416 178.351 176.000 -0.110 0.000 0.977 89 Q CA 1.137 56.861 55.803 -0.132 0.000 0.850 89 Q CB -0.192 28.474 28.738 -0.119 0.000 0.901 89 Q HN 0.626 nan 8.270 nan 0.000 0.429 90 Q N 0.345 120.089 119.800 -0.093 0.000 2.050 90 Q HA -0.149 4.191 4.340 0.000 0.000 0.202 90 Q C 2.169 178.110 176.000 -0.099 0.000 0.980 90 Q CA 1.091 56.844 55.803 -0.083 0.000 0.840 90 Q CB -0.130 28.572 28.738 -0.061 0.000 0.898 90 Q HN 0.387 nan 8.270 nan 0.000 0.424 91 L N 0.146 121.306 121.223 -0.105 0.000 2.141 91 L HA -0.163 4.177 4.340 0.000 0.000 0.209 91 L C 2.486 179.259 176.870 -0.161 0.000 1.094 91 L CA 0.762 55.526 54.840 -0.127 0.000 0.763 91 L CB -0.551 41.424 42.059 -0.140 0.000 0.908 91 L HN 0.226 nan 8.230 nan 0.000 0.437 92 A N 0.123 122.851 122.820 -0.154 0.000 1.902 92 A HA -0.158 4.162 4.320 0.000 0.000 0.217 92 A C 2.551 180.056 177.584 -0.131 0.000 1.181 92 A CA 1.647 53.596 52.037 -0.147 0.000 0.623 92 A CB -0.664 18.258 19.000 -0.130 0.000 0.818 92 A HN 0.384 nan 8.150 nan 0.000 0.443 93 A N -0.507 122.237 122.820 -0.126 0.000 1.933 93 A HA -0.079 4.241 4.320 0.000 0.000 0.218 93 A C 2.440 179.915 177.584 -0.181 0.000 1.175 93 A CA 2.133 54.094 52.037 -0.126 0.000 0.628 93 A CB -0.817 18.115 19.000 -0.112 0.000 0.814 93 A HN 0.458 nan 8.150 nan 0.000 0.444 94 S N -0.138 115.434 115.700 -0.214 0.000 2.368 94 S HA 0.002 4.472 4.470 0.000 0.000 0.224 94 S C 2.333 176.724 174.600 -0.347 0.000 1.029 94 S CA 1.076 59.052 58.200 -0.374 0.000 0.988 94 S CB -0.492 62.574 63.200 -0.223 0.000 0.838 94 S HN 0.805 nan 8.310 nan 0.000 0.462 95 A N 1.939 124.653 122.820 -0.176 0.000 1.908 95 A HA -0.199 4.122 4.320 0.000 0.000 0.218 95 A C 1.999 179.634 177.584 0.087 0.000 1.181 95 A CA 2.161 54.134 52.037 -0.106 0.000 0.627 95 A CB -0.568 18.247 19.000 -0.307 0.000 0.818 95 A HN 0.397 nan 8.150 nan 0.000 0.445 96 K N 0.440 120.825 120.400 -0.025 0.000 2.002 96 K HA -0.177 4.143 4.320 0.000 0.000 0.209 96 K C 2.201 178.796 176.600 -0.008 0.000 1.048 96 K CA 2.028 58.316 56.287 0.003 0.000 0.930 96 K CB -0.430 32.046 32.500 -0.040 0.000 0.714 96 K HN 0.443 nan 8.250 nan 0.000 0.438 97 R N -1.045 119.378 120.500 -0.129 0.000 2.127 97 R HA -0.165 4.175 4.340 0.000 0.000 0.238 97 R C 1.390 177.658 176.300 -0.054 0.000 1.134 97 R CA 1.616 57.616 56.100 -0.166 0.000 0.975 97 R CB -0.441 29.656 30.300 -0.338 0.000 0.865 97 R HN 0.279 nan 8.270 nan 0.000 0.447 98 Y N -0.139 120.234 120.300 0.123 0.000 2.529 98 Y HA 0.283 4.834 4.550 0.000 0.000 0.290 98 Y C 1.447 177.402 175.900 0.092 0.000 1.177 98 Y CA 0.344 58.531 58.100 0.145 0.000 1.305 98 Y CB 0.125 38.754 38.460 0.281 0.000 1.047 98 Y HN 0.410 nan 8.280 nan 0.000 0.522 99 G N -0.533 108.405 108.800 0.229 0.000 2.171 99 G HA2 -0.280 3.680 3.960 0.000 0.000 0.238 99 G HA3 -0.280 3.680 3.960 0.000 0.000 0.238 99 G C -0.120 174.810 174.900 0.050 0.000 1.039 99 G CA -0.500 44.661 45.100 0.103 0.000 0.759 99 G HN 0.148 nan 8.290 nan 0.000 0.501 100 F N 0.471 120.452 119.950 0.052 0.000 2.444 100 F HA 0.342 4.869 4.527 0.000 0.000 0.331 100 F C 1.649 177.464 175.800 0.026 0.000 1.167 100 F CA 0.049 58.070 58.000 0.034 0.000 1.262 100 F CB 0.617 39.633 39.000 0.025 0.000 1.196 100 F HN 0.045 nan 8.300 nan 0.000 0.583 101 D N 0.816 121.326 120.400 0.183 0.000 2.289 101 D HA 0.213 4.854 4.640 0.000 0.000 0.207 101 D C 0.305 176.689 176.300 0.140 0.000 0.966 101 D CA 0.810 54.884 54.000 0.125 0.000 0.868 101 D CB 0.372 41.227 40.800 0.092 0.000 0.943 101 D HN 0.412 nan 8.370 nan 0.000 0.514 102 A N -0.004 122.923 122.820 0.179 0.000 2.566 102 A HA 0.523 4.843 4.320 0.000 0.000 0.290 102 A C -1.023 176.616 177.584 0.091 0.000 1.071 102 A CA -0.661 51.455 52.037 0.131 0.000 0.658 102 A CB 1.121 20.207 19.000 0.143 0.000 1.285 102 A HN -0.038 nan 8.150 nan 0.000 0.427 103 V N -1.998 117.946 119.914 0.051 0.000 3.113 103 V HA 1.011 5.131 4.120 0.000 0.000 0.316 103 V C -0.096 176.024 176.094 0.045 0.000 1.125 103 V CA -0.163 62.123 62.300 -0.022 0.000 1.026 103 V CB 1.505 33.295 31.823 -0.055 0.000 1.080 103 V HN 1.874 nan 8.190 nan 0.000 0.444 104 S N 0.265 115.971 115.700 0.010 0.000 2.550 104 S HA 0.898 5.368 4.470 0.000 0.000 0.270 104 S C -0.984 173.702 174.600 0.143 0.000 1.145 104 S CA 0.077 58.388 58.200 0.185 0.000 0.852 104 S CB 1.682 65.077 63.200 0.325 0.000 1.119 104 S HN 2.381 nan 8.310 nan 0.000 0.465 105 A N 2.329 125.392 122.820 0.405 0.000 2.465 105 A HA 0.659 4.979 4.320 0.000 0.000 0.292 105 A C -0.576 177.427 177.584 0.698 0.000 1.041 105 A CA -0.487 51.767 52.037 0.362 0.000 0.718 105 A CB 1.206 20.260 19.000 0.090 0.000 1.266 105 A HN 1.234 nan 8.150 nan 0.000 0.403 106 V N 2.853 123.298 119.914 0.886 0.000 2.843 106 V HA 0.463 4.583 4.120 0.000 0.000 0.305 106 V C 1.050 177.406 176.094 0.438 0.000 1.065 106 V CA 0.744 63.389 62.300 0.576 0.000 1.116 106 V CB 1.264 33.349 31.823 0.437 0.000 0.968 106 V HN 1.386 nan 8.190 nan 0.000 0.487 107 T N 6.450 121.216 114.554 0.354 0.000 2.871 107 T HA 0.190 4.540 4.350 0.000 0.000 0.296 107 T C -2.302 172.604 174.700 0.343 0.000 0.998 107 T CA -0.934 61.369 62.100 0.338 0.000 1.162 107 T CB 0.488 69.467 68.868 0.185 0.000 0.947 107 T HN 0.749 nan 8.240 nan 0.000 0.536 108 P HA 0.107 nan 4.420 nan 0.000 0.262 108 P C -0.407 177.107 177.300 0.356 0.000 1.182 108 P CA -0.147 62.970 63.100 0.028 0.000 0.761 108 P CB 0.154 31.537 31.700 -0.527 0.000 0.795 109 F N 1.710 121.788 119.950 0.213 0.000 2.656 109 F HA 0.519 5.046 4.527 0.000 0.000 0.394 109 F C 1.652 177.544 175.800 0.154 0.000 1.168 109 F CA -1.321 56.771 58.000 0.153 0.000 1.135 109 F CB -0.506 38.500 39.000 0.010 0.000 1.480 109 F HN 0.424 nan 8.300 nan 0.000 0.500 110 Y N -1.171 119.237 120.300 0.179 0.000 2.728 110 Y HA -0.385 4.165 4.550 0.000 0.000 0.481 110 Y C -0.444 175.312 175.900 -0.239 0.000 1.108 110 Y CA 1.571 59.616 58.100 -0.092 0.000 2.921 110 Y CB -1.774 36.515 38.460 -0.285 0.000 1.016 110 Y HN 0.521 nan 8.280 nan 0.000 0.580 111 Y N 3.662 123.889 120.300 -0.121 0.000 2.309 111 Y HA 0.414 4.964 4.550 0.000 0.000 0.327 111 Y C -1.972 173.445 175.900 -0.804 0.000 1.172 111 Y CA -2.352 55.450 58.100 -0.495 0.000 1.280 111 Y CB 0.024 38.095 38.460 -0.649 0.000 1.234 111 Y HN -0.028 nan 8.280 nan 0.000 0.512 112 P HA 0.189 nan 4.420 nan 0.000 0.282 112 P C -1.235 175.775 177.300 -0.484 0.000 1.262 112 P CA 0.021 62.929 63.100 -0.320 0.000 0.773 112 P CB 0.347 31.954 31.700 -0.155 0.000 0.879 113 F N 0.378 120.341 119.950 0.021 0.000 2.546 113 F HA 0.421 4.948 4.527 0.000 0.000 0.320 113 F C 1.081 176.885 175.800 0.007 0.000 1.076 113 F CA -0.681 57.251 58.000 -0.114 0.000 0.928 113 F CB 1.263 39.985 39.000 -0.464 0.000 1.189 113 F HN 0.182 nan 8.300 nan 0.000 0.465 114 S N 1.466 117.293 115.700 0.212 0.000 2.600 114 S HA 0.135 4.605 4.470 0.000 0.000 0.265 114 S C 0.844 175.646 174.600 0.337 0.000 1.325 114 S CA -0.415 57.924 58.200 0.232 0.000 1.002 114 S CB 0.366 63.659 63.200 0.154 0.000 0.921 114 S HN 0.594 nan 8.310 nan 0.000 0.554 115 F N 1.158 121.247 119.950 0.231 0.000 2.171 115 F HA -0.039 4.489 4.527 0.000 0.000 0.300 115 F C 2.390 178.316 175.800 0.210 0.000 1.090 115 F CA 1.925 60.080 58.000 0.258 0.000 1.293 115 F CB -0.597 38.496 39.000 0.155 0.000 1.013 115 F HN 0.949 nan 8.300 nan 0.000 0.486 116 E N 0.118 120.328 120.200 0.016 0.000 2.110 116 E HA -0.239 4.111 4.350 0.000 0.000 0.193 116 E C 1.984 178.521 176.600 -0.105 0.000 0.988 116 E CA 1.677 58.019 56.400 -0.096 0.000 0.804 116 E CB -0.237 29.470 29.700 0.012 0.000 0.745 116 E HN 0.611 nan 8.360 nan 0.000 0.458 117 E N -0.517 119.650 120.200 -0.056 0.000 2.150 117 E HA -0.181 4.169 4.350 0.000 0.000 0.193 117 E C 2.173 178.661 176.600 -0.187 0.000 0.985 117 E CA 0.827 57.152 56.400 -0.125 0.000 0.814 117 E CB -0.104 29.527 29.700 -0.115 0.000 0.752 117 E HN 0.433 nan 8.360 nan 0.000 0.466 118 H N -0.096 118.926 119.070 -0.081 0.000 2.357 118 H HA -0.070 4.486 4.556 0.000 0.000 0.301 118 H C 2.357 177.709 175.328 0.039 0.000 1.082 118 H CA 1.106 57.142 56.048 -0.020 0.000 1.342 118 H CB -0.293 29.532 29.762 0.105 0.000 1.389 118 H HN 0.271 nan 8.280 nan 0.000 0.511 119 C N 0.909 120.161 119.300 -0.080 0.000 2.432 119 C HA -0.115 4.345 4.460 0.000 0.000 0.277 119 C C 2.417 177.422 174.990 0.025 0.000 1.249 119 C CA 0.811 59.779 59.018 -0.083 0.000 1.725 119 C CB -0.550 27.000 27.740 -0.316 0.000 2.028 119 C HN 0.551 nan 8.230 nan 0.000 0.477 120 D N -0.743 119.639 120.400 -0.030 0.000 2.218 120 D HA -0.129 4.512 4.640 0.000 0.000 0.204 120 D C 1.727 178.014 176.300 -0.023 0.000 0.976 120 D CA 1.373 55.356 54.000 -0.028 0.000 0.853 120 D CB -0.572 40.196 40.800 -0.053 0.000 0.939 120 D HN 0.674 nan 8.370 nan 0.000 0.481 121 H N -0.546 118.440 119.070 -0.139 0.000 2.326 121 H HA -0.142 4.414 4.556 0.000 0.000 0.301 121 H C 1.686 176.894 175.328 -0.199 0.000 1.081 121 H CA 1.634 57.545 56.048 -0.228 0.000 1.334 121 H CB -0.279 29.274 29.762 -0.348 0.000 1.385 121 H HN 0.104 nan 8.280 nan 0.000 0.504 122 Y N 0.541 120.834 120.300 -0.012 0.000 2.242 122 Y HA -0.101 4.449 4.550 0.000 0.000 0.291 122 Y C 2.740 178.592 175.900 -0.081 0.000 1.137 122 Y CA 1.436 59.508 58.100 -0.048 0.000 1.181 122 Y CB -0.126 38.355 38.460 0.036 0.000 0.989 122 Y HN 0.149 nan 8.280 nan 0.000 0.527 123 R N -0.388 120.158 120.500 0.076 0.000 2.073 123 R HA -0.171 4.169 4.340 0.000 0.000 0.234 123 R C 2.510 178.788 176.300 -0.037 0.000 1.134 123 R CA 1.214 57.325 56.100 0.018 0.000 0.952 123 R CB -0.700 29.603 30.300 0.004 0.000 0.850 123 R HN 0.324 nan 8.270 nan 0.000 0.433 124 A N 1.332 124.099 122.820 -0.088 0.000 1.902 124 A HA -0.143 4.177 4.320 0.000 0.000 0.217 124 A C 2.168 179.667 177.584 -0.142 0.000 1.181 124 A CA 1.280 53.246 52.037 -0.119 0.000 0.623 124 A CB -0.492 18.417 19.000 -0.152 0.000 0.818 124 A HN 0.190 nan 8.150 nan 0.000 0.443 125 I N -0.493 119.954 120.570 -0.205 0.000 2.315 125 I HA -0.223 3.947 4.170 0.000 0.000 0.248 125 I C 2.234 178.295 176.117 -0.093 0.000 1.117 125 I CA 1.106 62.292 61.300 -0.190 0.000 1.404 125 I CB -0.332 37.506 38.000 -0.271 0.000 1.071 125 I HN 0.286 nan 8.210 nan 0.000 0.419 126 I N 0.856 121.400 120.570 -0.044 0.000 2.286 126 I HA -0.312 3.858 4.170 0.000 0.000 0.248 126 I C 2.261 178.363 176.117 -0.024 0.000 1.115 126 I CA 1.545 62.840 61.300 -0.008 0.000 1.392 126 I CB -0.387 37.627 38.000 0.023 0.000 1.065 126 I HN 0.277 nan 8.210 nan 0.000 0.418 127 D N 0.591 120.969 120.400 -0.037 0.000 2.097 127 D HA -0.168 4.472 4.640 0.000 0.000 0.195 127 D C 2.193 178.466 176.300 -0.045 0.000 0.989 127 D CA 1.599 55.577 54.000 -0.037 0.000 0.827 127 D CB 0.077 40.851 40.800 -0.043 0.000 0.966 127 D HN 0.102 nan 8.370 nan 0.000 0.456 128 S N -0.506 115.156 115.700 -0.063 0.000 2.447 128 S HA -0.002 4.468 4.470 0.000 0.000 0.233 128 S C 1.955 176.516 174.600 -0.064 0.000 1.006 128 S CA 0.740 58.898 58.200 -0.069 0.000 0.957 128 S CB -0.203 62.943 63.200 -0.090 0.000 0.773 128 S HN 0.461 nan 8.310 nan 0.000 0.507 129 A N 1.209 123.996 122.820 -0.055 0.000 2.172 129 A HA 0.025 4.345 4.320 0.000 0.000 0.216 129 A C 0.897 178.466 177.584 -0.025 0.000 1.154 129 A CA 0.889 52.902 52.037 -0.041 0.000 0.701 129 A CB -0.529 18.456 19.000 -0.025 0.000 0.789 129 A HN 0.407 nan 8.150 nan 0.000 0.465 130 D N -2.782 117.603 120.400 -0.025 0.000 2.697 130 D HA -0.101 4.539 4.640 0.000 0.000 0.235 130 D C 0.973 177.270 176.300 -0.005 0.000 1.167 130 D CA 1.902 55.891 54.000 -0.018 0.000 0.656 130 D CB -1.390 39.395 40.800 -0.025 0.000 1.025 130 D HN 1.270 nan 8.370 nan 0.000 0.419 131 G N -1.100 107.701 108.800 0.001 0.000 2.284 131 G HA2 -0.253 3.708 3.960 0.000 0.000 0.216 131 G HA3 -0.253 3.708 3.960 0.000 0.000 0.216 131 G C 0.465 175.378 174.900 0.022 0.000 1.009 131 G CA -0.044 45.063 45.100 0.011 0.000 0.625 131 G HN 0.536 nan 8.290 nan 0.000 0.501 132 L N 3.597 124.835 121.223 0.025 0.000 2.410 132 L HA 0.327 4.667 4.340 0.000 0.000 0.273 132 L C -1.217 175.680 176.870 0.044 0.000 1.152 132 L CA -1.534 53.331 54.840 0.042 0.000 0.855 132 L CB 0.348 42.436 42.059 0.049 0.000 1.129 132 L HN 0.121 nan 8.230 nan 0.000 0.463 133 P HA 0.056 nan 4.420 nan 0.000 0.271 133 P C -0.731 176.615 177.300 0.076 0.000 1.218 133 P CA -0.531 62.605 63.100 0.060 0.000 0.780 133 P CB 1.080 32.819 31.700 0.065 0.000 0.901 134 M N 3.307 122.954 119.600 0.078 0.000 2.264 134 M HA 0.306 4.786 4.480 0.000 0.000 0.352 134 M C -1.402 174.976 176.300 0.129 0.000 1.173 134 M CA -0.475 54.890 55.300 0.109 0.000 1.075 134 M CB 0.980 33.653 32.600 0.121 0.000 1.621 134 M HN 0.019 nan 8.290 nan 0.000 0.457 135 V N 6.279 126.305 119.914 0.185 0.000 2.313 135 V HA 0.354 4.474 4.120 0.000 0.000 0.278 135 V C -0.356 175.892 176.094 0.256 0.000 1.017 135 V CA -0.914 61.519 62.300 0.222 0.000 0.823 135 V CB 0.899 32.899 31.823 0.295 0.000 1.010 135 V HN 0.757 nan 8.190 nan 0.000 0.443 136 V N 5.153 125.159 119.914 0.154 0.000 2.740 136 V HA 0.065 4.186 4.120 0.000 0.000 0.303 136 V C -0.259 176.024 176.094 0.316 0.000 1.054 136 V CA 0.020 62.399 62.300 0.132 0.000 1.106 136 V CB 0.545 32.281 31.823 -0.145 0.000 0.957 136 V HN 0.719 nan 8.190 nan 0.000 0.486 137 Y N 5.614 126.080 120.300 0.277 0.000 2.388 137 Y HA 0.356 4.906 4.550 0.000 0.000 0.328 137 Y C 0.033 176.050 175.900 0.194 0.000 0.963 137 Y CA -1.780 56.466 58.100 0.243 0.000 1.240 137 Y CB 1.026 39.704 38.460 0.364 0.000 1.118 137 Y HN 0.756 nan 8.280 nan 0.000 0.484 138 N N 7.263 126.147 118.700 0.307 0.000 2.469 138 N HA 0.346 5.086 4.740 0.000 0.000 0.253 138 N C -1.273 174.228 175.510 -0.014 0.000 0.970 138 N CA -0.126 52.978 53.050 0.090 0.000 0.940 138 N CB 0.616 39.154 38.487 0.086 0.000 1.128 138 N HN 0.804 nan 8.380 nan 0.000 0.503 139 I N 6.701 127.172 120.570 -0.165 0.000 2.867 139 I HA 0.310 4.480 4.170 0.000 0.000 0.282 139 I C -1.864 174.182 176.117 -0.118 0.000 1.437 139 I CA -2.021 59.165 61.300 -0.189 0.000 0.918 139 I CB 1.342 39.096 38.000 -0.410 0.000 1.612 139 I HN 0.436 nan 8.210 nan 0.000 0.592 140 P HA -0.234 nan 4.420 nan 0.000 0.216 140 P C 1.391 178.684 177.300 -0.011 0.000 1.150 140 P CA 1.847 64.939 63.100 -0.014 0.000 0.843 140 P CB 0.221 31.930 31.700 0.015 0.000 0.787 141 A N -0.267 122.568 122.820 0.026 0.000 1.940 141 A HA -0.123 4.197 4.320 0.000 0.000 0.219 141 A C 2.400 179.970 177.584 -0.023 0.000 1.176 141 A CA 1.498 53.557 52.037 0.035 0.000 0.631 141 A CB -1.279 17.799 19.000 0.130 0.000 0.814 141 A HN 0.196 nan 8.150 nan 0.000 0.446 142 L N -0.806 120.372 121.223 -0.075 0.000 2.388 142 L HA -0.007 4.333 4.340 0.000 0.000 0.209 142 L C 2.785 179.499 176.870 -0.261 0.000 1.061 142 L CA 1.065 55.809 54.840 -0.159 0.000 0.834 142 L CB -0.255 41.699 42.059 -0.175 0.000 1.029 142 L HN 0.530 nan 8.230 nan 0.000 0.473 143 S N -0.335 115.228 115.700 -0.228 0.000 2.414 143 S HA 0.031 4.501 4.470 0.000 0.000 0.227 143 S C 1.712 176.290 174.600 -0.037 0.000 1.022 143 S CA 0.775 58.866 58.200 -0.181 0.000 0.958 143 S CB 0.144 63.300 63.200 -0.073 0.000 0.797 143 S HN 0.504 nan 8.310 nan 0.000 0.493 144 G N 0.259 109.036 108.800 -0.038 0.000 2.179 144 G HA2 -0.232 3.728 3.960 0.000 0.000 0.260 144 G HA3 -0.232 3.728 3.960 0.000 0.000 0.260 144 G C 0.040 174.953 174.900 0.021 0.000 0.977 144 G CA 0.143 45.236 45.100 -0.011 0.000 0.641 144 G HN 0.806 nan 8.290 nan 0.000 0.533 145 V N 1.128 121.064 119.914 0.038 0.000 2.364 145 V HA 0.436 4.556 4.120 0.000 0.000 0.272 145 V C 0.398 176.501 176.094 0.015 0.000 1.036 145 V CA -0.250 62.081 62.300 0.051 0.000 0.880 145 V CB 1.402 33.261 31.823 0.060 0.000 0.991 145 V HN 0.296 nan 8.190 nan 0.000 0.460 146 K N 6.327 126.737 120.400 0.017 0.000 2.347 146 K HA 0.555 4.875 4.320 0.000 0.000 0.262 146 K C -0.898 175.696 176.600 -0.010 0.000 1.052 146 K CA -0.296 55.993 56.287 0.004 0.000 0.946 146 K CB 1.128 33.631 32.500 0.005 0.000 1.220 146 K HN 0.542 nan 8.250 nan 0.000 0.450 147 L N 2.342 123.552 121.223 -0.023 0.000 2.334 147 L HA 0.299 4.640 4.340 0.000 0.000 0.277 147 L C 1.066 177.891 176.870 -0.075 0.000 1.075 147 L CA -0.666 54.140 54.840 -0.056 0.000 0.804 147 L CB 1.100 43.134 42.059 -0.040 0.000 1.174 147 L HN 0.627 nan 8.230 nan 0.000 0.438 148 T N -1.075 113.403 114.554 -0.126 0.000 2.816 148 T HA 0.173 4.524 4.350 0.000 0.000 0.282 148 T C 0.906 175.535 174.700 -0.119 0.000 0.993 148 T CA -0.732 61.299 62.100 -0.115 0.000 0.994 148 T CB 1.171 69.959 68.868 -0.133 0.000 1.025 148 T HN 0.483 nan 8.240 nan 0.000 0.529 149 L N 0.504 121.665 121.223 -0.103 0.000 2.042 149 L HA -0.037 4.303 4.340 0.000 0.000 0.210 149 L C 1.993 178.815 176.870 -0.080 0.000 1.076 149 L CA 1.957 56.743 54.840 -0.089 0.000 0.749 149 L CB -1.078 40.915 42.059 -0.111 0.000 0.893 149 L HN 0.696 nan 8.230 nan 0.000 0.432 150 D N -0.751 119.585 120.400 -0.105 0.000 2.144 150 D HA -0.206 4.434 4.640 0.000 0.000 0.199 150 D C 2.155 178.360 176.300 -0.158 0.000 0.984 150 D CA 1.386 55.325 54.000 -0.102 0.000 0.834 150 D CB -0.047 40.688 40.800 -0.108 0.000 0.955 150 D HN 0.582 nan 8.370 nan 0.000 0.465 151 Q N 0.037 119.649 119.800 -0.315 0.000 2.119 151 Q HA -0.025 4.315 4.340 0.000 0.000 0.201 151 Q C 2.486 178.412 176.000 -0.123 0.000 0.972 151 Q CA 0.603 56.047 55.803 -0.598 0.000 0.847 151 Q CB 0.111 28.276 28.738 -0.956 0.000 0.903 151 Q HN 0.335 nan 8.270 nan 0.000 0.433 152 I N 1.191 121.719 120.570 -0.070 0.000 2.226 152 I HA -0.269 3.902 4.170 0.000 0.000 0.245 152 I C 1.779 177.910 176.117 0.023 0.000 1.100 152 I CA 0.697 61.997 61.300 -0.001 0.000 1.374 152 I CB -0.320 37.673 38.000 -0.011 0.000 1.057 152 I HN 0.234 nan 8.210 nan 0.000 0.413 153 N N 0.461 119.197 118.700 0.061 0.000 2.120 153 N HA -0.141 4.600 4.740 0.000 0.000 0.188 153 N C 1.857 177.435 175.510 0.114 0.000 1.024 153 N CA 1.785 54.934 53.050 0.164 0.000 0.852 153 N CB -0.569 38.026 38.487 0.180 0.000 1.003 153 N HN 0.311 nan 8.380 nan 0.000 0.424 154 T N 2.030 116.660 114.554 0.128 0.000 2.737 154 T HA 0.020 4.370 4.350 0.000 0.000 0.265 154 T C 2.171 176.963 174.700 0.153 0.000 1.038 154 T CA 0.576 62.789 62.100 0.188 0.000 1.144 154 T CB -0.202 68.878 68.868 0.352 0.000 0.866 154 T HN 0.127 nan 8.240 nan 0.000 0.434 155 L N 1.426 122.748 121.223 0.165 0.000 2.017 155 L HA -0.081 4.259 4.340 0.000 0.000 0.208 155 L C 2.730 179.541 176.870 -0.098 0.000 1.073 155 L CA 1.173 56.015 54.840 0.003 0.000 0.745 155 L CB -0.801 41.224 42.059 -0.056 0.000 0.894 155 L HN 0.259 nan 8.230 nan 0.000 0.432 156 V N -3.643 116.200 119.914 -0.119 0.000 3.305 156 V HA -0.094 4.026 4.120 0.000 0.000 0.269 156 V C 1.904 177.903 176.094 -0.158 0.000 1.157 156 V CA 1.618 63.804 62.300 -0.190 0.000 1.157 156 V CB -1.180 30.439 31.823 -0.340 0.000 0.772 156 V HN 0.598 nan 8.190 nan 0.000 0.498 157 T N -2.361 112.148 114.554 -0.074 0.000 3.054 157 T HA 0.409 4.759 4.350 0.000 0.000 0.255 157 T C 0.483 175.186 174.700 0.005 0.000 1.035 157 T CA -0.306 61.786 62.100 -0.013 0.000 0.941 157 T CB -0.374 68.529 68.868 0.059 0.000 1.026 157 T HN 0.398 nan 8.240 nan 0.000 0.533 158 L N 2.138 123.356 121.223 -0.008 0.000 2.483 158 L HA 0.284 4.625 4.340 0.000 0.000 0.276 158 L C -2.146 174.727 176.870 0.006 0.000 1.213 158 L CA -2.062 52.780 54.840 0.004 0.000 0.843 158 L CB 0.072 42.130 42.059 -0.002 0.000 1.107 158 L HN -0.020 nan 8.230 nan 0.000 0.487 159 P HA 0.047 nan 4.420 nan 0.000 0.263 159 P C 0.625 177.934 177.300 0.015 0.000 1.195 159 P CA 0.779 63.887 63.100 0.013 0.000 0.762 159 P CB 0.717 32.425 31.700 0.013 0.000 0.799 160 G N 1.495 110.303 108.800 0.015 0.000 2.213 160 G HA2 -0.202 3.758 3.960 0.000 0.000 0.236 160 G HA3 -0.202 3.758 3.960 0.000 0.000 0.236 160 G C 0.057 174.972 174.900 0.024 0.000 0.991 160 G CA -0.285 44.828 45.100 0.020 0.000 0.629 160 G HN 0.520 nan 8.290 nan 0.000 0.517 161 V N 1.292 121.213 119.914 0.012 0.000 2.488 161 V HA 0.595 4.716 4.120 0.000 0.000 0.277 161 V C 1.445 177.540 176.094 0.001 0.000 1.046 161 V CA 1.017 63.320 62.300 0.004 0.000 0.986 161 V CB 1.409 33.210 31.823 -0.037 0.000 0.989 161 V HN 0.671 nan 8.190 nan 0.000 0.475 162 G N 2.853 111.666 108.800 0.021 0.000 3.079 162 G HA2 0.651 4.611 3.960 0.000 0.000 0.233 162 G HA3 0.651 4.611 3.960 0.000 0.000 0.233 162 G C 0.154 175.057 174.900 0.004 0.000 1.062 162 G CA 0.734 45.843 45.100 0.016 0.000 0.809 162 G HN 1.042 nan 8.290 nan 0.000 0.535 163 A N -0.718 122.113 122.820 0.018 0.000 2.564 163 A HA 0.737 5.057 4.320 0.000 0.000 0.291 163 A C -2.418 175.189 177.584 0.038 0.000 1.102 163 A CA -0.587 51.450 52.037 0.001 0.000 0.660 163 A CB 1.269 20.304 19.000 0.057 0.000 1.283 163 A HN 0.815 nan 8.150 nan 0.000 0.430 164 L N 0.155 121.400 121.223 0.035 0.000 2.438 164 L HA 0.648 4.988 4.340 0.000 0.000 0.270 164 L C -0.569 176.409 176.870 0.181 0.000 0.972 164 L CA -0.231 54.659 54.840 0.083 0.000 0.831 164 L CB 1.807 43.868 42.059 0.005 0.000 1.273 164 L HN 0.707 nan 8.230 nan 0.000 0.405 165 K N 3.632 124.156 120.400 0.207 0.000 2.264 165 K HA 0.342 4.662 4.320 0.000 0.000 0.277 165 K C -0.736 175.952 176.600 0.147 0.000 1.067 165 K CA -0.458 55.911 56.287 0.136 0.000 0.900 165 K CB 0.933 33.301 32.500 -0.219 0.000 1.124 165 K HN 0.716 nan 8.250 nan 0.000 0.469 166 Q N 3.223 123.087 119.800 0.106 0.000 2.569 166 Q HA 0.142 4.482 4.340 0.000 0.000 0.226 166 Q C -1.191 174.823 176.000 0.024 0.000 1.136 166 Q CA -0.096 55.755 55.803 0.080 0.000 0.947 166 Q CB 0.880 29.659 28.738 0.068 0.000 1.218 166 Q HN 0.448 nan 8.270 nan 0.000 0.547 167 T N 2.383 116.929 114.554 -0.013 0.000 3.579 167 T HA 0.370 4.720 4.350 0.000 0.000 0.328 167 T C -0.839 173.748 174.700 -0.189 0.000 1.481 167 T CA -0.131 61.801 62.100 -0.281 0.000 1.144 167 T CB -0.155 68.537 68.868 -0.294 0.000 1.205 167 T HN 0.415 nan 8.240 nan 0.000 0.812 168 S N 0.687 116.421 115.700 0.057 0.000 2.540 168 S HA 0.600 5.070 4.470 0.000 0.000 0.275 168 S C 1.014 175.839 174.600 0.376 0.000 1.123 168 S CA -0.579 57.782 58.200 0.268 0.000 0.907 168 S CB 1.491 64.773 63.200 0.137 0.000 1.081 168 S HN 0.481 nan 8.310 nan 0.000 0.476 169 G N 1.551 110.551 108.800 0.335 0.000 3.141 169 G HA2 0.119 4.079 3.960 0.000 0.000 0.218 169 G HA3 0.119 4.079 3.960 0.000 0.000 0.218 169 G C 0.068 175.040 174.900 0.120 0.000 1.170 169 G CA -0.134 45.076 45.100 0.183 0.000 0.769 169 G HN 0.682 nan 8.290 nan 0.000 0.546 170 D N 1.111 121.585 120.400 0.124 0.000 2.402 170 D HA 0.135 4.775 4.640 0.000 0.000 0.235 170 D C 1.434 177.801 176.300 0.113 0.000 1.226 170 D CA -0.333 53.731 54.000 0.107 0.000 0.918 170 D CB 0.445 41.299 40.800 0.091 0.000 1.043 170 D HN 0.072 nan 8.370 nan 0.000 0.506 171 L N 3.551 124.844 121.223 0.117 0.000 2.599 171 L HA -0.081 4.259 4.340 0.000 0.000 0.230 171 L C 1.498 178.465 176.870 0.162 0.000 1.141 171 L CA 0.141 55.049 54.840 0.113 0.000 0.877 171 L CB -0.320 41.790 42.059 0.085 0.000 1.009 171 L HN 0.447 nan 8.230 nan 0.000 0.447 172 Y N 1.157 121.469 120.300 0.020 0.000 2.231 172 Y HA -0.189 4.361 4.550 0.000 0.000 0.294 172 Y C 2.562 178.471 175.900 0.016 0.000 1.120 172 Y CA 1.405 59.512 58.100 0.013 0.000 1.141 172 Y CB -0.342 38.124 38.460 0.010 0.000 1.022 172 Y HN 0.166 nan 8.280 nan 0.000 0.523 173 Q N -0.490 119.297 119.800 -0.022 0.000 2.124 173 Q HA -0.224 4.116 4.340 0.000 0.000 0.202 173 Q C 2.256 178.233 176.000 -0.038 0.000 0.977 173 Q CA 1.859 57.586 55.803 -0.127 0.000 0.850 173 Q CB -0.166 28.530 28.738 -0.069 0.000 0.901 173 Q HN 0.516 nan 8.270 nan 0.000 0.429 174 M N 0.778 120.394 119.600 0.027 0.000 2.080 174 M HA -0.197 4.283 4.480 0.000 0.000 0.260 174 M C 1.899 178.217 176.300 0.030 0.000 1.068 174 M CA 1.771 57.093 55.300 0.036 0.000 1.109 174 M CB -0.276 32.356 32.600 0.053 0.000 1.342 174 M HN 0.179 nan 8.290 nan 0.000 0.405 175 E N -0.184 120.046 120.200 0.049 0.000 2.072 175 E HA -0.229 4.121 4.350 0.000 0.000 0.191 175 E C 1.919 178.532 176.600 0.021 0.000 0.985 175 E CA 1.628 58.059 56.400 0.051 0.000 0.801 175 E CB -0.244 29.518 29.700 0.104 0.000 0.750 175 E HN 0.741 nan 8.360 nan 0.000 0.452 176 Q N 0.059 119.843 119.800 -0.027 0.000 2.084 176 Q HA -0.109 4.231 4.340 0.000 0.000 0.202 176 Q C 2.469 178.443 176.000 -0.043 0.000 0.978 176 Q CA 1.422 57.177 55.803 -0.079 0.000 0.844 176 Q CB -0.072 28.534 28.738 -0.220 0.000 0.898 176 Q HN 0.361 nan 8.270 nan 0.000 0.426 177 I N 0.355 120.923 120.570 -0.003 0.000 2.179 177 I HA -0.278 3.892 4.170 0.000 0.000 0.242 177 I C 2.546 178.725 176.117 0.105 0.000 1.088 177 I CA 1.002 62.355 61.300 0.089 0.000 1.357 177 I CB -0.175 37.872 38.000 0.077 0.000 1.051 177 I HN 0.110 nan 8.210 nan 0.000 0.409 178 R N 1.613 122.141 120.500 0.047 0.000 2.081 178 R HA -0.197 4.143 4.340 0.000 0.000 0.235 178 R C 2.290 178.592 176.300 0.005 0.000 1.131 178 R CA 1.717 57.837 56.100 0.034 0.000 0.960 178 R CB -0.617 29.692 30.300 0.015 0.000 0.856 178 R HN 0.214 nan 8.270 nan 0.000 0.436 179 R N -0.152 120.338 120.500 -0.017 0.000 2.096 179 R HA -0.142 4.198 4.340 0.000 0.000 0.235 179 R C 1.815 178.055 176.300 -0.100 0.000 1.127 179 R CA 1.935 58.010 56.100 -0.041 0.000 0.968 179 R CB -0.244 30.039 30.300 -0.029 0.000 0.861 179 R HN 0.292 nan 8.270 nan 0.000 0.440 180 E N -0.427 119.664 120.200 -0.182 0.000 2.299 180 E HA -0.073 4.277 4.350 0.000 0.000 0.193 180 E C -0.433 175.782 176.600 -0.642 0.000 0.998 180 E CA 0.825 56.978 56.400 -0.412 0.000 0.851 180 E CB 0.380 29.767 29.700 -0.521 0.000 0.795 180 E HN 0.437 nan 8.360 nan 0.000 0.492 181 H N -0.692 118.366 119.070 -0.019 0.000 2.448 181 H HA 0.211 4.767 4.556 0.000 0.000 0.237 181 H C -2.115 173.200 175.328 -0.021 0.000 1.391 181 H CA -1.844 54.193 56.048 -0.019 0.000 1.477 181 H CB 1.303 31.052 29.762 -0.022 0.000 1.520 181 H HN 0.093 nan 8.280 nan 0.000 0.502 182 P HA -0.142 nan 4.420 nan 0.000 0.217 182 P C 0.847 178.161 177.300 0.023 0.000 1.148 182 P CA 1.304 64.417 63.100 0.021 0.000 0.828 182 P CB 0.512 32.215 31.700 0.004 0.000 0.783 183 D N -1.798 118.623 120.400 0.035 0.000 2.369 183 D HA 0.064 4.704 4.640 0.000 0.000 0.211 183 D C 0.692 176.993 176.300 0.003 0.000 1.077 183 D CA -0.157 53.853 54.000 0.016 0.000 0.842 183 D CB -0.119 40.692 40.800 0.018 0.000 0.947 183 D HN 0.123 nan 8.370 nan 0.000 0.509 184 L N 1.849 123.082 121.223 0.016 0.000 2.490 184 L HA 0.015 4.355 4.340 0.000 0.000 0.274 184 L C -0.232 176.588 176.870 -0.083 0.000 1.201 184 L CA 0.002 54.823 54.840 -0.032 0.000 0.869 184 L CB 0.889 42.928 42.059 -0.032 0.000 1.123 184 L HN -0.291 nan 8.230 nan 0.000 0.484 185 V N 6.890 126.723 119.914 -0.135 0.000 2.439 185 V HA 0.153 4.273 4.120 0.000 0.000 0.271 185 V C -0.005 175.881 176.094 -0.347 0.000 1.040 185 V CA -0.221 61.921 62.300 -0.262 0.000 1.002 185 V CB 0.813 32.459 31.823 -0.296 0.000 1.000 185 V HN 0.588 nan 8.190 nan 0.000 0.477 186 L N 7.827 128.847 121.223 -0.338 0.000 2.345 186 L HA 0.527 4.868 4.340 0.000 0.000 0.274 186 L C -0.959 175.787 176.870 -0.206 0.000 0.999 186 L CA -0.294 54.410 54.840 -0.226 0.000 0.849 186 L CB 1.062 43.066 42.059 -0.092 0.000 1.220 186 L HN 0.505 nan 8.230 nan 0.000 0.422 187 Y N 2.983 123.284 120.300 0.003 0.000 2.327 187 Y HA 0.325 4.876 4.550 0.000 0.000 0.336 187 Y C 0.761 176.668 175.900 0.011 0.000 1.035 187 Y CA -0.383 57.722 58.100 0.007 0.000 1.165 187 Y CB 0.639 39.063 38.460 -0.059 0.000 1.181 187 Y HN 0.647 nan 8.280 nan 0.000 0.494 188 N N 1.402 120.239 118.700 0.229 0.000 2.497 188 N HA 0.177 4.917 4.740 0.000 0.000 0.268 188 N C 0.982 176.578 175.510 0.142 0.000 1.171 188 N CA 0.454 53.614 53.050 0.185 0.000 0.948 188 N CB 0.889 39.518 38.487 0.237 0.000 1.069 188 N HN 0.880 nan 8.380 nan 0.000 0.460 189 G N 2.064 110.882 108.800 0.030 0.000 2.656 189 G HA2 -0.035 3.925 3.960 0.000 0.000 0.211 189 G HA3 -0.035 3.925 3.960 0.000 0.000 0.211 189 G C -0.412 174.379 174.900 -0.182 0.000 1.137 189 G CA 0.163 45.178 45.100 -0.143 0.000 0.802 189 G HN 0.537 nan 8.290 nan 0.000 0.527 190 Y N 2.150 122.503 120.300 0.087 0.000 2.454 190 Y HA 0.287 4.837 4.550 0.000 0.000 0.345 190 Y C 0.794 176.777 175.900 0.139 0.000 0.970 190 Y CA -1.656 56.495 58.100 0.085 0.000 1.204 190 Y CB 1.266 39.777 38.460 0.085 0.000 1.122 190 Y HN 0.010 nan 8.280 nan 0.000 0.514 191 D N 0.989 121.541 120.400 0.254 0.000 2.149 191 D HA -0.240 4.400 4.640 0.000 0.000 0.194 191 D C 1.780 178.299 176.300 0.366 0.000 1.001 191 D CA 1.708 55.861 54.000 0.254 0.000 0.849 191 D CB 0.040 40.938 40.800 0.163 0.000 0.939 191 D HN 0.694 nan 8.370 nan 0.000 0.449 192 E N 1.113 121.479 120.200 0.276 0.000 2.463 192 E HA -0.150 4.200 4.350 0.000 0.000 0.201 192 E C 1.649 178.366 176.600 0.196 0.000 1.045 192 E CA 0.577 57.100 56.400 0.204 0.000 0.872 192 E CB -0.481 29.285 29.700 0.110 0.000 0.797 192 E HN 0.584 nan 8.360 nan 0.000 0.538 193 I N -4.578 116.144 120.570 0.253 0.000 3.994 193 I HA 0.291 4.461 4.170 0.000 0.000 0.323 193 I C 1.202 177.471 176.117 0.253 0.000 1.501 193 I CA -0.762 60.660 61.300 0.204 0.000 1.112 193 I CB -0.221 37.872 38.000 0.155 0.000 1.254 193 I HN -0.263 nan 8.210 nan 0.000 0.495 194 F N 3.183 123.246 119.950 0.187 0.000 2.045 194 F HA -0.311 4.216 4.527 0.000 0.000 0.297 194 F C 2.498 178.379 175.800 0.136 0.000 1.114 194 F CA 2.560 60.676 58.000 0.194 0.000 1.207 194 F CB -0.277 38.912 39.000 0.315 0.000 0.964 194 F HN 0.250 nan 8.300 nan 0.000 0.486 195 A N -0.754 122.143 122.820 0.129 0.000 1.883 195 A HA -0.208 4.112 4.320 0.000 0.000 0.217 195 A C 2.376 179.926 177.584 -0.057 0.000 1.186 195 A CA 2.308 54.333 52.037 -0.019 0.000 0.624 195 A CB -1.375 17.664 19.000 0.065 0.000 0.822 195 A HN 0.459 nan 8.150 nan 0.000 0.444 196 S N -0.506 115.199 115.700 0.008 0.000 2.382 196 S HA -0.040 4.430 4.470 0.000 0.000 0.228 196 S C 2.042 176.634 174.600 -0.012 0.000 1.027 196 S CA 1.027 59.230 58.200 0.006 0.000 0.991 196 S CB -0.612 62.609 63.200 0.036 0.000 0.823 196 S HN 0.790 nan 8.310 nan 0.000 0.469 197 G N 1.744 110.534 108.800 -0.015 0.000 2.418 197 G HA2 -0.126 3.834 3.960 0.000 0.000 0.217 197 G HA3 -0.126 3.834 3.960 0.000 0.000 0.217 197 G C 1.328 176.170 174.900 -0.096 0.000 1.158 197 G CA 0.544 45.631 45.100 -0.021 0.000 0.771 197 G HN 0.424 nan 8.290 nan 0.000 0.545 198 L N -0.423 120.667 121.223 -0.221 0.000 2.017 198 L HA -0.028 4.312 4.340 0.000 0.000 0.208 198 L C 2.706 179.507 176.870 -0.114 0.000 1.073 198 L CA 0.528 55.231 54.840 -0.227 0.000 0.745 198 L CB -0.461 41.381 42.059 -0.362 0.000 0.894 198 L HN 0.211 nan 8.230 nan 0.000 0.432 199 L N 0.337 121.507 121.223 -0.087 0.000 2.079 199 L HA -0.164 4.177 4.340 0.000 0.000 0.210 199 L C 2.546 179.402 176.870 -0.023 0.000 1.081 199 L CA 1.970 56.784 54.840 -0.044 0.000 0.752 199 L CB -0.663 41.379 42.059 -0.028 0.000 0.896 199 L HN 0.161 nan 8.230 nan 0.000 0.433 200 A N -1.747 121.064 122.820 -0.015 0.000 2.066 200 A HA 0.312 4.632 4.320 0.000 0.000 0.218 200 A C 1.899 179.487 177.584 0.006 0.000 1.157 200 A CA 1.268 53.310 52.037 0.010 0.000 0.670 200 A CB -0.499 18.518 19.000 0.029 0.000 0.804 200 A HN 0.678 nan 8.150 nan 0.000 0.453 201 G N -2.945 105.846 108.800 -0.015 0.000 3.246 201 G HA2 0.324 4.284 3.960 0.000 0.000 0.218 201 G HA3 0.324 4.284 3.960 0.000 0.000 0.218 201 G C 0.406 175.288 174.900 -0.029 0.000 0.978 201 G CA 0.081 45.172 45.100 -0.014 0.000 0.825 201 G HN 1.200 nan 8.290 nan 0.000 0.546 202 A N 1.186 123.982 122.820 -0.040 0.000 2.483 202 A HA 0.497 4.817 4.320 0.000 0.000 0.238 202 A C 0.911 178.453 177.584 -0.071 0.000 1.070 202 A CA 1.117 53.124 52.037 -0.050 0.000 0.770 202 A CB 0.252 19.227 19.000 -0.041 0.000 1.008 202 A HN 0.676 nan 8.150 nan 0.000 0.497 203 D N -0.049 120.310 120.400 -0.068 0.000 2.501 203 D HA 0.442 5.083 4.640 0.000 0.000 0.224 203 D C 0.333 176.630 176.300 -0.005 0.000 1.202 203 D CA 0.556 54.524 54.000 -0.053 0.000 0.829 203 D CB -0.016 40.748 40.800 -0.060 0.000 1.023 203 D HN 0.922 nan 8.370 nan 0.000 0.499 204 G N -1.737 107.094 108.800 0.052 0.000 2.325 204 G HA2 0.575 4.535 3.960 0.000 0.000 0.295 204 G HA3 0.575 4.535 3.960 0.000 0.000 0.295 204 G C -1.086 174.077 174.900 0.438 0.000 1.274 204 G CA -0.316 44.934 45.100 0.251 0.000 0.857 204 G HN 0.598 nan 8.290 nan 0.000 0.499 205 G N -1.311 107.857 108.800 0.613 0.000 2.601 205 G HA2 0.627 4.587 3.960 0.000 0.000 0.291 205 G HA3 0.627 4.587 3.960 0.000 0.000 0.291 205 G C -1.848 173.217 174.900 0.275 0.000 1.456 205 G CA -0.584 44.850 45.100 0.557 0.000 0.804 205 G HN 0.818 nan 8.290 nan 0.000 0.499 206 I N 0.579 121.071 120.570 -0.130 0.000 2.499 206 I HA 0.695 4.865 4.170 0.000 0.000 0.288 206 I C 0.267 175.855 176.117 -0.882 0.000 1.048 206 I CA -0.594 60.357 61.300 -0.583 0.000 1.062 206 I CB 2.371 39.886 38.000 -0.808 0.000 1.238 206 I HN 0.840 nan 8.210 nan 0.000 0.426 207 G N 2.521 110.381 108.800 -1.566 0.000 2.698 207 G HA2 0.369 4.329 3.960 0.000 0.000 0.293 207 G HA3 0.369 4.329 3.960 0.000 0.000 0.293 207 G C -0.027 174.351 174.900 -0.869 0.000 1.437 207 G CA -0.312 44.034 45.100 -1.258 0.000 0.852 207 G HN 0.483 nan 8.290 nan 0.000 0.499 208 S N -0.149 115.321 115.700 -0.384 0.000 2.368 208 S HA -0.138 4.333 4.470 0.000 0.000 0.224 208 S C 2.682 177.238 174.600 -0.074 0.000 1.029 208 S CA 2.055 60.161 58.200 -0.156 0.000 0.988 208 S CB -0.294 62.932 63.200 0.044 0.000 0.838 208 S HN 1.066 nan 8.310 nan 0.000 0.462 209 T N -0.801 113.740 114.554 -0.023 0.000 3.113 209 T HA -0.020 4.330 4.350 0.000 0.000 0.263 209 T C 1.292 176.111 174.700 0.199 0.000 1.143 209 T CA 0.526 62.691 62.100 0.108 0.000 1.090 209 T CB -0.555 68.419 68.868 0.177 0.000 0.922 209 T HN 0.296 nan 8.240 nan 0.000 0.521 210 Y N 2.445 122.648 120.300 -0.162 0.000 2.403 210 Y HA 0.043 4.593 4.550 0.000 0.000 0.291 210 Y C 2.394 178.253 175.900 -0.068 0.000 1.143 210 Y CA -0.461 57.544 58.100 -0.159 0.000 1.257 210 Y CB -1.037 37.269 38.460 -0.256 0.000 0.984 210 Y HN 0.355 nan 8.280 nan 0.000 0.550 211 N N 0.618 119.396 118.700 0.131 0.000 2.205 211 N HA -0.141 4.599 4.740 0.000 0.000 0.186 211 N C 1.695 177.345 175.510 0.233 0.000 1.015 211 N CA 1.899 55.039 53.050 0.150 0.000 0.862 211 N CB -0.142 38.412 38.487 0.112 0.000 0.986 211 N HN 0.562 nan 8.380 nan 0.000 0.429 212 I N -2.627 118.038 120.570 0.159 0.000 4.181 212 I HA 0.251 4.421 4.170 0.000 0.000 0.331 212 I C 0.912 176.967 176.117 -0.104 0.000 1.312 212 I CA 0.144 61.560 61.300 0.194 0.000 1.146 212 I CB 0.237 38.335 38.000 0.164 0.000 1.074 212 I HN -0.096 nan 8.210 nan 0.000 0.402 213 M N -0.535 118.837 119.600 -0.380 0.000 4.494 213 M HA 0.525 5.005 4.480 0.000 0.000 0.546 213 M C 0.762 176.533 176.300 -0.881 0.000 2.065 213 M CA -0.154 54.430 55.300 -1.193 0.000 0.552 213 M CB 0.026 32.119 32.600 -0.845 0.000 1.463 213 M HN -0.071 nan 8.290 nan 0.000 0.596 214 G N 1.522 110.078 108.800 -0.407 0.000 2.450 214 G HA2 -0.218 3.743 3.960 0.000 0.000 0.220 214 G HA3 -0.218 3.743 3.960 0.000 0.000 0.220 214 G C 0.898 175.682 174.900 -0.193 0.000 1.130 214 G CA 1.379 46.367 45.100 -0.188 0.000 0.760 214 G HN 0.954 nan 8.290 nan 0.000 0.557 215 W N 0.739 121.990 121.300 -0.082 0.000 2.392 215 W HA 0.123 4.783 4.660 0.000 0.000 0.279 215 W C 2.272 178.718 176.519 -0.122 0.000 1.225 215 W CA 0.519 57.809 57.345 -0.092 0.000 1.233 215 W CB -0.290 29.122 29.460 -0.081 0.000 1.122 215 W HN 0.025 nan 8.180 nan 0.000 0.561 216 R N -0.456 119.665 120.500 -0.632 0.000 2.092 216 R HA -0.142 4.198 4.340 0.000 0.000 0.231 216 R C 2.096 178.111 176.300 -0.475 0.000 1.119 216 R CA 1.887 57.678 56.100 -0.515 0.000 0.970 216 R CB -0.885 28.951 30.300 -0.773 0.000 0.864 216 R HN 0.271 nan 8.270 nan 0.000 0.440 217 Y N 0.863 120.898 120.300 -0.443 0.000 2.242 217 Y HA -0.146 4.404 4.550 0.000 0.000 0.291 217 Y C 2.592 178.371 175.900 -0.202 0.000 1.137 217 Y CA 0.900 58.668 58.100 -0.553 0.000 1.181 217 Y CB -0.126 37.570 38.460 -1.273 0.000 0.989 217 Y HN -0.002 nan 8.280 nan 0.000 0.527 218 Q N -0.438 119.341 119.800 -0.034 0.000 2.119 218 Q HA -0.102 4.238 4.340 0.000 0.000 0.201 218 Q C 2.614 178.664 176.000 0.083 0.000 0.972 218 Q CA 1.377 57.215 55.803 0.057 0.000 0.847 218 Q CB -0.911 27.864 28.738 0.061 0.000 0.903 218 Q HN 0.597 nan 8.270 nan 0.000 0.433 219 G N 0.966 109.798 108.800 0.053 0.000 2.422 219 G HA2 -0.194 3.766 3.960 0.000 0.000 0.218 219 G HA3 -0.194 3.766 3.960 0.000 0.000 0.218 219 G C 1.559 176.499 174.900 0.066 0.000 1.146 219 G CA 0.436 45.570 45.100 0.057 0.000 0.769 219 G HN 0.272 nan 8.290 nan 0.000 0.547 220 I N 0.258 120.884 120.570 0.093 0.000 2.252 220 I HA -0.134 4.037 4.170 0.000 0.000 0.245 220 I C 2.749 178.955 176.117 0.149 0.000 1.102 220 I CA 0.360 61.748 61.300 0.146 0.000 1.385 220 I CB -0.203 37.972 38.000 0.292 0.000 1.064 220 I HN 0.020 nan 8.210 nan 0.000 0.414 221 V N 1.120 121.161 119.914 0.212 0.000 2.287 221 V HA -0.340 3.780 4.120 0.000 0.000 0.248 221 V C 2.547 178.687 176.094 0.076 0.000 1.053 221 V CA 2.081 64.464 62.300 0.139 0.000 1.027 221 V CB -0.684 31.246 31.823 0.178 0.000 0.646 221 V HN 0.421 nan 8.190 nan 0.000 0.447 222 K N 0.034 120.480 120.400 0.076 0.000 2.026 222 K HA -0.168 4.152 4.320 0.000 0.000 0.208 222 K C 2.231 178.854 176.600 0.038 0.000 1.048 222 K CA 1.511 57.828 56.287 0.051 0.000 0.929 222 K CB -0.352 32.178 32.500 0.049 0.000 0.713 222 K HN 0.414 nan 8.250 nan 0.000 0.439 223 A N 1.447 124.292 122.820 0.041 0.000 1.883 223 A HA -0.160 4.160 4.320 0.000 0.000 0.217 223 A C 2.133 179.730 177.584 0.022 0.000 1.186 223 A CA 1.458 53.513 52.037 0.030 0.000 0.624 223 A CB -0.656 18.363 19.000 0.031 0.000 0.822 223 A HN 0.333 nan 8.150 nan 0.000 0.444 224 L N -0.830 120.405 121.223 0.021 0.000 2.093 224 L HA -0.162 4.179 4.340 0.000 0.000 0.208 224 L C 2.639 179.512 176.870 0.005 0.000 1.085 224 L CA 1.770 56.614 54.840 0.006 0.000 0.755 224 L CB -0.441 41.612 42.059 -0.010 0.000 0.904 224 L HN 0.488 nan 8.230 nan 0.000 0.435 225 K N 0.795 121.202 120.400 0.012 0.000 2.103 225 K HA -0.197 4.123 4.320 0.000 0.000 0.207 225 K C 1.566 178.172 176.600 0.010 0.000 1.048 225 K CA 1.524 57.817 56.287 0.011 0.000 0.930 225 K CB 0.079 32.590 32.500 0.018 0.000 0.716 225 K HN 0.393 nan 8.250 nan 0.000 0.444 226 E N -0.949 119.258 120.200 0.013 0.000 2.489 226 E HA 0.040 4.390 4.350 0.000 0.000 0.193 226 E C 0.601 177.206 176.600 0.008 0.000 1.057 226 E CA 0.358 56.765 56.400 0.011 0.000 0.866 226 E CB 0.369 30.077 29.700 0.013 0.000 0.916 226 E HN 0.582 nan 8.360 nan 0.000 0.500 227 G N 2.872 111.676 108.800 0.007 0.000 2.160 227 G HA2 -0.260 3.701 3.960 0.000 0.000 0.251 227 G HA3 -0.260 3.701 3.960 0.000 0.000 0.251 227 G C -0.164 174.739 174.900 0.006 0.000 1.008 227 G CA 0.383 45.486 45.100 0.005 0.000 0.724 227 G HN 0.286 nan 8.290 nan 0.000 0.514 228 D N 0.720 121.125 120.400 0.008 0.000 2.564 228 D HA 0.380 5.020 4.640 0.000 0.000 0.226 228 D C 1.887 178.193 176.300 0.010 0.000 1.149 228 D CA -0.906 53.099 54.000 0.009 0.000 0.994 228 D CB -0.254 40.553 40.800 0.012 0.000 1.029 228 D HN 0.065 nan 8.370 nan 0.000 0.517 229 I N 1.774 122.348 120.570 0.007 0.000 2.163 229 I HA -0.293 3.878 4.170 0.000 0.000 0.243 229 I C 2.085 178.207 176.117 0.009 0.000 1.085 229 I CA 1.274 62.578 61.300 0.007 0.000 1.347 229 I CB -0.763 37.239 38.000 0.005 0.000 1.044 229 I HN 0.505 nan 8.210 nan 0.000 0.408 230 Q N 0.035 119.840 119.800 0.008 0.000 2.061 230 Q HA -0.201 4.139 4.340 0.000 0.000 0.204 230 Q C 2.200 178.206 176.000 0.010 0.000 0.984 230 Q CA 2.310 58.117 55.803 0.008 0.000 0.846 230 Q CB -0.393 28.350 28.738 0.007 0.000 0.902 230 Q HN 0.482 nan 8.270 nan 0.000 0.421 231 T N 0.790 115.351 114.554 0.011 0.000 2.821 231 T HA -0.115 4.235 4.350 0.000 0.000 0.267 231 T C 1.873 176.581 174.700 0.014 0.000 1.046 231 T CA 1.090 63.198 62.100 0.013 0.000 1.139 231 T CB -0.235 68.642 68.868 0.015 0.000 0.871 231 T HN 0.405 nan 8.240 nan 0.000 0.454 232 A N 1.463 124.293 122.820 0.018 0.000 1.877 232 A HA -0.166 4.154 4.320 0.000 0.000 0.216 232 A C 2.289 179.887 177.584 0.023 0.000 1.186 232 A CA 1.470 53.523 52.037 0.026 0.000 0.620 232 A CB -0.600 18.415 19.000 0.026 0.000 0.822 232 A HN 0.534 nan 8.150 nan 0.000 0.443 233 Q N -0.317 119.493 119.800 0.017 0.000 2.050 233 Q HA -0.172 4.168 4.340 0.000 0.000 0.202 233 Q C 2.105 178.111 176.000 0.009 0.000 0.980 233 Q CA 1.636 57.448 55.803 0.016 0.000 0.840 233 Q CB -0.230 28.515 28.738 0.013 0.000 0.898 233 Q HN 0.637 nan 8.270 nan 0.000 0.424 234 K N 0.583 120.986 120.400 0.005 0.000 2.063 234 K HA -0.135 4.185 4.320 0.000 0.000 0.208 234 K C 2.115 178.707 176.600 -0.014 0.000 1.048 234 K CA 1.073 57.359 56.287 -0.001 0.000 0.928 234 K CB -0.151 32.350 32.500 0.003 0.000 0.713 234 K HN 0.181 nan 8.250 nan 0.000 0.442 235 L N 0.630 121.840 121.223 -0.022 0.000 2.056 235 L HA -0.195 4.145 4.340 0.000 0.000 0.207 235 L C 2.718 179.531 176.870 -0.094 0.000 1.078 235 L CA 0.992 55.793 54.840 -0.066 0.000 0.749 235 L CB -0.306 41.711 42.059 -0.070 0.000 0.901 235 L HN 0.185 nan 8.230 nan 0.000 0.433 236 Q N -0.068 119.711 119.800 -0.036 0.000 2.084 236 Q HA -0.165 4.175 4.340 0.000 0.000 0.202 236 Q C 2.064 178.058 176.000 -0.010 0.000 0.978 236 Q CA 2.274 58.074 55.803 -0.005 0.000 0.844 236 Q CB -0.315 28.458 28.738 0.058 0.000 0.898 236 Q HN 0.316 nan 8.270 nan 0.000 0.426 237 T N 1.002 115.552 114.554 -0.007 0.000 2.746 237 T HA -0.120 4.230 4.350 0.000 0.000 0.267 237 T C 1.342 176.033 174.700 -0.016 0.000 1.039 237 T CA 1.388 63.487 62.100 -0.003 0.000 1.142 237 T CB -0.168 68.700 68.868 0.001 0.000 0.866 237 T HN 0.309 nan 8.240 nan 0.000 0.444 238 E N 0.548 120.727 120.200 -0.036 0.000 2.106 238 E HA -0.060 4.290 4.350 0.000 0.000 0.192 238 E C 2.537 179.097 176.600 -0.066 0.000 0.984 238 E CA 0.586 56.961 56.400 -0.043 0.000 0.806 238 E CB -0.629 29.042 29.700 -0.049 0.000 0.750 238 E HN 0.498 nan 8.360 nan 0.000 0.458 239 C N 1.306 120.539 119.300 -0.111 0.000 2.446 239 C HA -0.061 4.399 4.460 0.000 0.000 0.277 239 C C 2.353 177.339 174.990 -0.007 0.000 1.275 239 C CA 0.506 59.454 59.018 -0.116 0.000 1.727 239 C CB -1.050 26.557 27.740 -0.221 0.000 2.010 239 C HN 0.402 nan 8.230 nan 0.000 0.486 240 N N 0.932 119.638 118.700 0.010 0.000 2.244 240 N HA -0.074 4.667 4.740 0.000 0.000 0.183 240 N C 1.672 177.192 175.510 0.017 0.000 1.016 240 N CA 0.956 54.025 53.050 0.031 0.000 0.866 240 N CB -0.299 38.208 38.487 0.034 0.000 0.980 240 N HN 0.569 nan 8.380 nan 0.000 0.430 241 K N 0.058 120.462 120.400 0.007 0.000 2.097 241 K HA -0.002 4.319 4.320 0.000 0.000 0.206 241 K C 1.768 178.373 176.600 0.008 0.000 1.049 241 K CA 0.742 57.033 56.287 0.007 0.000 0.933 241 K CB -0.063 32.440 32.500 0.006 0.000 0.717 241 K HN -0.015 nan 8.250 nan 0.000 0.442 242 V N 1.730 121.648 119.914 0.007 0.000 2.358 242 V HA -0.210 3.910 4.120 0.000 0.000 0.246 242 V C 2.138 178.242 176.094 0.016 0.000 1.047 242 V CA 1.511 63.818 62.300 0.012 0.000 1.035 242 V CB -0.334 31.494 31.823 0.009 0.000 0.658 242 V HN 0.262 nan 8.190 nan 0.000 0.452 243 I N 0.135 120.723 120.570 0.030 0.000 2.286 243 I HA -0.235 3.935 4.170 0.000 0.000 0.248 243 I C 2.248 178.369 176.117 0.006 0.000 1.115 243 I CA 1.448 62.769 61.300 0.035 0.000 1.392 243 I CB -0.497 37.542 38.000 0.065 0.000 1.065 243 I HN 0.315 nan 8.210 nan 0.000 0.418 244 D N 0.778 121.179 120.400 0.002 0.000 2.104 244 D HA -0.199 4.441 4.640 0.000 0.000 0.194 244 D C 1.987 178.266 176.300 -0.035 0.000 0.994 244 D CA 1.221 55.215 54.000 -0.011 0.000 0.830 244 D CB -0.321 40.478 40.800 -0.002 0.000 0.959 244 D HN 0.170 nan 8.370 nan 0.000 0.452 245 L N 0.514 121.716 121.223 -0.036 0.000 2.017 245 L HA -0.096 4.244 4.340 0.000 0.000 0.208 245 L C 2.161 178.953 176.870 -0.131 0.000 1.073 245 L CA 1.442 56.236 54.840 -0.077 0.000 0.745 245 L CB -0.600 41.436 42.059 -0.038 0.000 0.894 245 L HN 0.041 nan 8.230 nan 0.000 0.432 246 L N -0.938 120.240 121.223 -0.075 0.000 2.127 246 L HA -0.240 4.100 4.340 0.000 0.000 0.211 246 L C 2.514 179.323 176.870 -0.101 0.000 1.089 246 L CA 1.338 56.132 54.840 -0.076 0.000 0.757 246 L CB -0.506 41.542 42.059 -0.018 0.000 0.899 246 L HN 0.316 nan 8.230 nan 0.000 0.434 247 I N -0.470 120.051 120.570 -0.082 0.000 2.394 247 I HA -0.250 3.920 4.170 0.000 0.000 0.251 247 I C 2.497 178.550 176.117 -0.106 0.000 1.136 247 I CA 1.191 62.445 61.300 -0.077 0.000 1.425 247 I CB -0.171 37.800 38.000 -0.047 0.000 1.079 247 I HN 0.222 nan 8.210 nan 0.000 0.425 248 K N 0.275 120.581 120.400 -0.157 0.000 2.031 248 K HA -0.131 4.189 4.320 0.000 0.000 0.205 248 K C 2.169 178.543 176.600 -0.377 0.000 1.049 248 K CA 2.015 58.174 56.287 -0.213 0.000 0.939 248 K CB -0.324 32.028 32.500 -0.246 0.000 0.717 248 K HN 0.424 nan 8.250 nan 0.000 0.438 249 T N -1.962 112.266 114.554 -0.543 0.000 2.951 249 T HA 0.092 4.442 4.350 0.000 0.000 0.268 249 T C 0.841 175.452 174.700 -0.148 0.000 1.073 249 T CA 0.569 62.372 62.100 -0.496 0.000 1.134 249 T CB 0.044 68.677 68.868 -0.393 0.000 0.884 249 T HN 0.314 nan 8.240 nan 0.000 0.479 250 G N -0.051 108.673 108.800 -0.128 0.000 3.363 250 G HA2 0.046 4.006 3.960 0.000 0.000 0.685 250 G HA3 0.046 4.006 3.960 0.000 0.000 0.685 250 G C 0.160 174.990 174.900 -0.117 0.000 1.199 250 G CA -0.488 44.559 45.100 -0.088 0.000 0.946 250 G HN 0.242 nan 8.290 nan 0.000 0.558 251 V N 3.374 123.185 119.914 -0.171 0.000 2.233 251 V HA -0.128 3.993 4.120 0.000 0.000 0.247 251 V C 2.686 178.789 176.094 0.015 0.000 1.050 251 V CA 2.675 64.907 62.300 -0.114 0.000 1.010 251 V CB -0.877 30.854 31.823 -0.153 0.000 0.637 251 V HN 0.702 nan 8.190 nan 0.000 0.444 252 F N 1.567 121.424 119.950 -0.155 0.000 2.069 252 F HA -0.159 4.369 4.527 0.000 0.000 0.298 252 F C 2.699 178.404 175.800 -0.160 0.000 1.113 252 F CA 1.847 59.731 58.000 -0.194 0.000 1.214 252 F CB -1.395 37.395 39.000 -0.350 0.000 0.978 252 F HN 0.236 nan 8.300 nan 0.000 0.474 253 R N 0.387 120.895 120.500 0.014 0.000 2.115 253 R HA -0.011 4.329 4.340 0.000 0.000 0.230 253 R C 2.385 178.694 176.300 0.014 0.000 1.111 253 R CA 1.412 57.514 56.100 0.002 0.000 0.976 253 R CB -1.516 28.782 30.300 -0.003 0.000 0.870 253 R HN 0.300 nan 8.270 nan 0.000 0.445 254 G N 2.054 110.860 108.800 0.010 0.000 2.418 254 G HA2 -0.177 3.783 3.960 0.000 0.000 0.217 254 G HA3 -0.177 3.783 3.960 0.000 0.000 0.217 254 G C 1.561 176.487 174.900 0.044 0.000 1.158 254 G CA 0.640 45.751 45.100 0.019 0.000 0.771 254 G HN 0.174 nan 8.290 nan 0.000 0.545 255 L N -0.046 121.208 121.223 0.051 0.000 2.017 255 L HA -0.045 4.295 4.340 0.000 0.000 0.208 255 L C 2.964 179.856 176.870 0.036 0.000 1.073 255 L CA 1.333 56.208 54.840 0.059 0.000 0.745 255 L CB -0.298 41.802 42.059 0.069 0.000 0.894 255 L HN 0.152 nan 8.230 nan 0.000 0.432 256 K N -0.732 119.675 120.400 0.011 0.000 2.147 256 K HA -0.140 4.180 4.320 0.000 0.000 0.205 256 K C 2.062 178.646 176.600 -0.026 0.000 1.049 256 K CA 1.727 58.001 56.287 -0.022 0.000 0.936 256 K CB -0.240 32.236 32.500 -0.040 0.000 0.722 256 K HN 0.296 nan 8.250 nan 0.000 0.446 257 T N 0.815 115.359 114.554 -0.017 0.000 2.777 257 T HA -0.090 4.260 4.350 0.000 0.000 0.266 257 T C 1.981 176.675 174.700 -0.011 0.000 1.040 257 T CA 1.047 63.114 62.100 -0.056 0.000 1.141 257 T CB -0.105 68.772 68.868 0.015 0.000 0.868 257 T HN -0.056 nan 8.240 nan 0.000 0.444 258 V N 1.549 121.523 119.914 0.100 0.000 2.407 258 V HA -0.100 4.020 4.120 0.000 0.000 0.248 258 V C 2.442 178.594 176.094 0.096 0.000 1.055 258 V CA 1.402 63.808 62.300 0.176 0.000 1.049 258 V CB -0.629 31.283 31.823 0.149 0.000 0.662 258 V HN 0.437 nan 8.190 nan 0.000 0.455 259 L N -0.625 120.611 121.223 0.021 0.000 2.141 259 L HA -0.188 4.152 4.340 0.000 0.000 0.209 259 L C 2.552 179.361 176.870 -0.101 0.000 1.094 259 L CA 1.707 56.503 54.840 -0.074 0.000 0.763 259 L CB -0.710 41.302 42.059 -0.078 0.000 0.908 259 L HN 0.469 nan 8.230 nan 0.000 0.437 260 H N -0.538 118.420 119.070 -0.187 0.000 2.321 260 H HA -0.214 4.342 4.556 0.000 0.000 0.300 260 H C 1.876 177.083 175.328 -0.201 0.000 1.087 260 H CA 1.889 57.788 56.048 -0.249 0.000 1.319 260 H CB -0.178 29.352 29.762 -0.385 0.000 1.379 260 H HN 0.214 nan 8.280 nan 0.000 0.501 261 Y N -0.335 119.894 120.300 -0.118 0.000 2.574 261 Y HA -0.033 4.518 4.550 0.000 0.000 0.294 261 Y C 1.958 177.774 175.900 -0.140 0.000 1.142 261 Y CA 0.724 58.732 58.100 -0.154 0.000 1.314 261 Y CB -0.299 38.147 38.460 -0.022 0.000 0.991 261 Y HN 0.320 nan 8.280 nan 0.000 0.555 262 M N -0.682 118.902 119.600 -0.027 0.000 2.494 262 M HA 0.015 4.495 4.480 0.000 0.000 0.232 262 M C -0.258 175.937 176.300 -0.175 0.000 1.137 262 M CA 0.535 55.783 55.300 -0.087 0.000 1.012 262 M CB 0.276 32.782 32.600 -0.156 0.000 1.567 262 M HN 0.074 nan 8.290 nan 0.000 0.486 263 D N -0.247 120.040 120.400 -0.188 0.000 2.907 263 D HA -0.139 4.501 4.640 0.000 0.000 0.226 263 D C 0.609 176.797 176.300 -0.188 0.000 1.141 263 D CA 0.331 54.224 54.000 -0.177 0.000 0.779 263 D CB -1.231 39.501 40.800 -0.114 0.000 1.095 263 D HN 0.229 nan 8.370 nan 0.000 0.430 264 V N -1.078 118.694 119.914 -0.237 0.000 2.854 264 V HA 0.058 4.179 4.120 0.000 0.000 0.236 264 V C 1.144 177.159 176.094 -0.133 0.000 1.157 264 V CA 0.434 62.589 62.300 -0.243 0.000 1.187 264 V CB 0.737 32.293 31.823 -0.446 0.000 0.949 264 V HN 0.046 nan 8.190 nan 0.000 0.488 265 V N 1.093 120.948 119.914 -0.098 0.000 2.407 265 V HA 0.279 4.399 4.120 0.000 0.000 0.278 265 V C 1.229 177.368 176.094 0.075 0.000 1.037 265 V CA 0.294 62.573 62.300 -0.034 0.000 0.900 265 V CB 1.207 33.003 31.823 -0.045 0.000 0.983 265 V HN 0.356 nan 8.190 nan 0.000 0.459 266 S N 3.621 119.349 115.700 0.048 0.000 2.345 266 S HA -0.013 4.457 4.470 0.000 0.000 0.220 266 S C 0.591 175.222 174.600 0.051 0.000 1.031 266 S CA 0.924 59.179 58.200 0.092 0.000 0.996 266 S CB 0.150 63.370 63.200 0.033 0.000 0.882 266 S HN 0.546 nan 8.310 nan 0.000 0.445 267 V N 3.589 123.479 119.914 -0.041 0.000 2.409 267 V HA 0.287 4.407 4.120 0.000 0.000 0.290 267 V C -2.165 173.858 176.094 -0.119 0.000 1.017 267 V CA -1.600 60.622 62.300 -0.131 0.000 0.841 267 V CB 1.698 33.491 31.823 -0.050 0.000 1.003 267 V HN 0.186 nan 8.190 nan 0.000 0.426 268 P HA 0.086 nan 4.420 nan 0.000 0.269 268 P C 0.049 177.320 177.300 -0.048 0.000 1.461 268 P CA 0.162 63.183 63.100 -0.131 0.000 0.809 268 P CB 0.223 31.802 31.700 -0.203 0.000 1.503 269 L N -0.340 120.887 121.223 0.006 0.000 2.399 269 L HA 0.287 4.628 4.340 0.000 0.000 0.266 269 L C 0.843 177.824 176.870 0.184 0.000 1.114 269 L CA -0.532 54.353 54.840 0.075 0.000 0.804 269 L CB 0.779 42.883 42.059 0.076 0.000 1.146 269 L HN 0.034 nan 8.230 nan 0.000 0.451 270 C N 0.833 120.237 119.300 0.174 0.000 2.505 270 C HA 0.503 4.963 4.460 0.000 0.000 0.358 270 C C 0.450 175.567 174.990 0.212 0.000 1.226 270 C CA -0.830 58.333 59.018 0.242 0.000 1.900 270 C CB 1.820 29.591 27.740 0.050 0.000 2.306 270 C HN 0.736 nan 8.230 nan 0.000 0.512 271 R N 1.247 121.863 120.500 0.193 0.000 2.459 271 R HA 0.263 4.603 4.340 0.000 0.000 0.281 271 R C -0.184 176.220 176.300 0.174 0.000 1.050 271 R CA -0.504 55.601 56.100 0.009 0.000 1.055 271 R CB 0.564 30.742 30.300 -0.203 0.000 1.045 271 R HN 0.520 nan 8.270 nan 0.000 0.495 272 K N 2.957 123.392 120.400 0.057 0.000 2.414 272 K HA 0.020 4.341 4.320 0.000 0.000 0.272 272 K C -1.344 175.256 176.600 -0.000 0.000 0.993 272 K CA -1.058 55.255 56.287 0.043 0.000 0.964 272 K CB 0.365 32.867 32.500 0.004 0.000 0.925 272 K HN 0.491 nan 8.250 nan 0.000 0.487 273 P HA -0.048 nan 4.420 nan 0.000 0.239 273 P C -0.121 177.138 177.300 -0.069 0.000 1.184 273 P CA 0.247 63.292 63.100 -0.091 0.000 0.760 273 P CB 0.148 31.764 31.700 -0.140 0.000 0.884 274 F N 1.488 121.463 119.950 0.042 0.000 2.578 274 F HA 0.311 4.838 4.527 0.000 0.000 0.376 274 F C 1.827 177.651 175.800 0.040 0.000 1.085 274 F CA 0.443 58.474 58.000 0.052 0.000 1.260 274 F CB 0.127 39.185 39.000 0.097 0.000 1.095 274 F HN -0.089 nan 8.300 nan 0.000 0.573 275 G N 3.740 112.683 108.800 0.239 0.000 2.535 275 G HA2 0.600 4.561 3.960 0.000 0.000 0.303 275 G HA3 0.600 4.561 3.960 0.000 0.000 0.303 275 G C -2.599 172.383 174.900 0.138 0.000 1.237 275 G CA -1.257 43.930 45.100 0.145 0.000 0.986 275 G HN 0.425 nan 8.290 nan 0.000 0.494 276 P HA 0.302 nan 4.420 nan 0.000 0.278 276 P C -0.258 177.098 177.300 0.093 0.000 1.266 276 P CA -0.422 62.726 63.100 0.080 0.000 0.807 276 P CB 1.293 33.026 31.700 0.056 0.000 1.094 277 V N 1.462 121.430 119.914 0.090 0.000 2.637 277 V HA 0.003 4.124 4.120 0.000 0.000 0.296 277 V C 0.965 177.152 176.094 0.155 0.000 1.046 277 V CA 0.124 62.505 62.300 0.135 0.000 1.066 277 V CB -0.001 31.900 31.823 0.130 0.000 0.968 277 V HN 0.598 nan 8.190 nan 0.000 0.483 278 D N 3.405 123.943 120.400 0.230 0.000 2.417 278 D HA 0.019 4.659 4.640 0.000 0.000 0.250 278 D C 1.242 177.584 176.300 0.069 0.000 1.166 278 D CA 0.172 54.242 54.000 0.117 0.000 0.881 278 D CB 0.997 41.828 40.800 0.051 0.000 1.164 278 D HN 0.668 nan 8.370 nan 0.000 0.467 279 E N 2.782 122.996 120.200 0.023 0.000 2.187 279 E HA -0.271 4.079 4.350 0.000 0.000 0.199 279 E C 1.709 178.299 176.600 -0.016 0.000 1.004 279 E CA 1.181 57.597 56.400 0.026 0.000 0.813 279 E CB -0.003 29.706 29.700 0.015 0.000 0.736 279 E HN 0.628 nan 8.360 nan 0.000 0.468 280 K N 0.061 120.376 120.400 -0.142 0.000 2.360 280 K HA -0.166 4.155 4.320 0.000 0.000 0.201 280 K C 1.093 177.584 176.600 -0.182 0.000 1.046 280 K CA 1.279 57.438 56.287 -0.213 0.000 0.945 280 K CB -0.135 32.154 32.500 -0.352 0.000 0.750 280 K HN 0.160 nan 8.250 nan 0.000 0.464 281 Y N 1.293 121.621 120.300 0.047 0.000 2.500 281 Y HA 0.197 4.747 4.550 0.000 0.000 0.270 281 Y C 1.862 177.806 175.900 0.073 0.000 1.134 281 Y CA -0.357 57.775 58.100 0.054 0.000 1.293 281 Y CB -0.073 38.420 38.460 0.056 0.000 1.063 281 Y HN -0.089 nan 8.280 nan 0.000 0.534 282 L N 0.331 121.683 121.223 0.216 0.000 2.013 282 L HA -0.201 4.139 4.340 0.000 0.000 0.212 282 L C -0.344 176.587 176.870 0.102 0.000 1.073 282 L CA 1.542 56.507 54.840 0.208 0.000 0.753 282 L CB -1.812 40.368 42.059 0.201 0.000 0.890 282 L HN 0.161 nan 8.230 nan 0.000 0.432 283 P HA -0.190 nan 4.420 nan 0.000 0.215 283 P C 1.313 178.619 177.300 0.010 0.000 1.157 283 P CA 1.423 64.525 63.100 0.003 0.000 0.874 283 P CB 0.035 31.743 31.700 0.013 0.000 0.790 284 E N -0.669 119.572 120.200 0.069 0.000 2.072 284 E HA -0.117 4.234 4.350 0.000 0.000 0.191 284 E C 2.069 178.710 176.600 0.069 0.000 0.985 284 E CA 0.884 57.328 56.400 0.073 0.000 0.801 284 E CB -0.665 29.104 29.700 0.115 0.000 0.750 284 E HN 0.228 nan 8.360 nan 0.000 0.452 285 L N 1.026 122.316 121.223 0.112 0.000 2.083 285 L HA -0.181 4.159 4.340 0.000 0.000 0.209 285 L C 2.639 179.576 176.870 0.111 0.000 1.083 285 L CA 1.151 56.082 54.840 0.151 0.000 0.752 285 L CB -0.313 41.896 42.059 0.250 0.000 0.899 285 L HN 0.058 nan 8.230 nan 0.000 0.433 286 K N 0.338 120.684 120.400 -0.089 0.000 2.057 286 K HA -0.141 4.179 4.320 0.000 0.000 0.206 286 K C 2.172 178.672 176.600 -0.166 0.000 1.050 286 K CA 1.164 57.194 56.287 -0.427 0.000 0.935 286 K CB -0.043 31.994 32.500 -0.772 0.000 0.715 286 K HN 0.245 nan 8.250 nan 0.000 0.439 287 A N 1.283 124.053 122.820 -0.084 0.000 1.933 287 A HA -0.151 4.169 4.320 0.000 0.000 0.218 287 A C 2.015 179.606 177.584 0.012 0.000 1.175 287 A CA 1.301 53.319 52.037 -0.032 0.000 0.628 287 A CB -0.585 18.408 19.000 -0.011 0.000 0.814 287 A HN 0.390 nan 8.150 nan 0.000 0.444 288 L N -0.159 121.086 121.223 0.037 0.000 2.046 288 L HA -0.048 4.292 4.340 0.000 0.000 0.208 288 L C 2.632 179.560 176.870 0.096 0.000 1.077 288 L CA 2.225 57.106 54.840 0.068 0.000 0.747 288 L CB -0.932 41.174 42.059 0.077 0.000 0.896 288 L HN 0.335 nan 8.230 nan 0.000 0.432 289 A N -0.954 121.929 122.820 0.105 0.000 1.883 289 A HA -0.240 4.081 4.320 0.000 0.000 0.217 289 A C 2.144 179.792 177.584 0.107 0.000 1.186 289 A CA 1.797 53.916 52.037 0.137 0.000 0.624 289 A CB -0.607 18.500 19.000 0.179 0.000 0.822 289 A HN 0.617 nan 8.150 nan 0.000 0.444 290 Q N -0.581 119.251 119.800 0.054 0.000 2.050 290 Q HA -0.249 4.091 4.340 0.000 0.000 0.202 290 Q C 2.218 178.253 176.000 0.059 0.000 0.980 290 Q CA 1.925 57.751 55.803 0.039 0.000 0.840 290 Q CB -0.692 28.047 28.738 0.002 0.000 0.898 290 Q HN 0.915 nan 8.270 nan 0.000 0.424 291 Q N 0.466 120.305 119.800 0.065 0.000 2.077 291 Q HA -0.159 4.181 4.340 0.000 0.000 0.206 291 Q C 2.179 178.254 176.000 0.124 0.000 0.989 291 Q CA 1.226 57.075 55.803 0.077 0.000 0.853 291 Q CB -0.100 28.681 28.738 0.072 0.000 0.907 291 Q HN 0.355 nan 8.270 nan 0.000 0.418 292 L N -0.230 121.100 121.223 0.179 0.000 2.093 292 L HA -0.186 4.154 4.340 0.000 0.000 0.208 292 L C 2.630 179.644 176.870 0.240 0.000 1.085 292 L CA 1.000 56.028 54.840 0.313 0.000 0.755 292 L CB -0.338 41.950 42.059 0.382 0.000 0.904 292 L HN 0.389 nan 8.230 nan 0.000 0.435 293 M N -1.039 118.656 119.600 0.159 0.000 2.132 293 M HA -0.163 4.317 4.480 0.000 0.000 0.263 293 M C 2.329 178.640 176.300 0.018 0.000 1.065 293 M CA 1.378 56.730 55.300 0.088 0.000 1.122 293 M CB -0.347 32.302 32.600 0.082 0.000 1.365 293 M HN 0.221 nan 8.290 nan 0.000 0.411 294 Q N 0.292 120.109 119.800 0.028 0.000 2.226 294 Q HA -0.173 4.167 4.340 0.000 0.000 0.204 294 Q C 1.622 177.610 176.000 -0.019 0.000 0.975 294 Q CA 1.296 57.100 55.803 0.002 0.000 0.866 294 Q CB -0.572 28.175 28.738 0.014 0.000 0.915 294 Q HN 0.632 nan 8.270 nan 0.000 0.440 295 E N 0.591 120.792 120.200 0.001 0.000 2.204 295 E HA -0.082 4.268 4.350 0.000 0.000 0.194 295 E C 0.285 176.771 176.600 -0.189 0.000 0.989 295 E CA 0.172 56.559 56.400 -0.021 0.000 0.824 295 E CB 0.386 30.161 29.700 0.125 0.000 0.756 295 E HN 0.231 nan 8.360 nan 0.000 0.477 296 R N 0.000 120.337 120.500 -0.272 0.000 2.786 296 R HA 0.000 4.340 4.340 0.000 0.000 0.208 296 R CA 0.000 55.855 56.100 -0.408 0.000 0.921 296 R CB 0.000 30.000 30.300 -0.501 0.000 0.687 296 R HN 0.000 nan 8.270 nan 0.000 0.535