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 1rco_1_K DATA FIRST_RESID 9 DATA SEQUENCE ASVGFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE DMMKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT TLSHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE MHFRVLAKAL RLSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDYTEKDR DATA SEQUENCE SRGIYFTQSW VSTPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV QARNEGRDLA REGNTIIREA TKWSPELAAA DATA SEQUENCE CEVWKEIKFE FPAMDTV 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 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.599 177.584 0.024 0.000 1.274 9 A CA 0.000 52.047 52.037 0.017 0.000 0.836 9 A CB 0.000 19.009 19.000 0.014 0.000 0.831 10 S N 0.728 116.447 115.700 0.032 0.000 3.494 10 S HA -0.011 4.458 4.470 -0.000 0.000 0.161 10 S C 0.556 175.185 174.600 0.049 0.000 0.413 10 S CA 0.465 58.692 58.200 0.046 0.000 1.399 10 S CB -1.810 61.418 63.200 0.048 0.000 1.004 10 S HN 2.202 nan 8.310 nan 0.000 0.280 11 V N 3.249 123.191 119.914 0.046 0.000 2.999 11 V HA 0.516 4.636 4.120 -0.000 0.000 0.307 11 V C 1.448 177.585 176.094 0.070 0.000 1.084 11 V CA 0.549 62.876 62.300 0.045 0.000 1.155 11 V CB 0.479 32.324 31.823 0.037 0.000 0.975 11 V HN 1.064 nan 8.190 nan 0.000 0.490 12 G N 4.026 112.865 108.800 0.064 0.000 2.750 12 G HA2 0.175 4.135 3.960 -0.000 0.000 0.250 12 G HA3 0.175 4.135 3.960 -0.000 0.000 0.250 12 G C -0.752 174.245 174.900 0.160 0.000 1.230 12 G CA -0.094 45.063 45.100 0.095 0.000 0.883 12 G HN 0.947 nan 8.290 nan 0.000 0.573 13 F N 0.155 120.125 119.950 0.033 0.000 2.436 13 F HA 0.699 5.226 4.527 -0.000 0.000 0.340 13 F C -0.189 175.628 175.800 0.028 0.000 1.113 13 F CA -1.724 56.306 58.000 0.051 0.000 1.022 13 F CB 2.130 41.187 39.000 0.094 0.000 1.128 13 F HN 0.333 nan 8.300 nan 0.000 0.466 14 K N 5.424 125.501 120.400 -0.538 0.000 2.613 14 K HA 0.712 5.032 4.320 -0.000 0.000 0.248 14 K C -1.136 175.039 176.600 -0.709 0.000 0.959 14 K CA -0.377 55.558 56.287 -0.586 0.000 0.855 14 K CB 1.209 33.569 32.500 -0.234 0.000 1.143 14 K HN 0.828 nan 8.250 nan 0.000 0.437 15 A N 2.455 124.743 122.820 -0.886 0.000 2.429 15 A HA 0.628 4.947 4.320 -0.000 0.000 0.242 15 A C 0.561 178.012 177.584 -0.222 0.000 1.088 15 A CA 0.856 52.612 52.037 -0.467 0.000 0.784 15 A CB -0.459 18.373 19.000 -0.280 0.000 1.038 15 A HN 1.444 nan 8.150 nan 0.000 0.501 16 G N -1.931 106.789 108.800 -0.133 0.000 2.428 16 G HA2 0.443 4.403 3.960 -0.000 0.000 0.681 16 G HA3 0.443 4.403 3.960 -0.000 0.000 0.681 16 G C -0.567 174.270 174.900 -0.106 0.000 1.340 16 G CA -0.155 44.886 45.100 -0.098 0.000 0.915 16 G HN 2.254 nan 8.290 nan 0.000 0.645 17 V N 0.035 119.907 119.914 -0.069 0.000 2.509 17 V HA 0.938 5.058 4.120 -0.000 0.000 0.284 17 V C 0.209 176.260 176.094 -0.072 0.000 1.047 17 V CA 0.380 62.633 62.300 -0.078 0.000 0.952 17 V CB 1.199 33.039 31.823 0.028 0.000 0.988 17 V HN 1.334 nan 8.190 nan 0.000 0.469 18 K N 2.926 123.263 120.400 -0.105 0.000 2.480 18 K HA 0.568 4.888 4.320 -0.000 0.000 0.258 18 K C -1.234 175.287 176.600 -0.133 0.000 0.990 18 K CA -0.933 55.303 56.287 -0.085 0.000 0.857 18 K CB 1.670 34.139 32.500 -0.052 0.000 1.384 18 K HN 0.513 nan 8.250 nan 0.000 0.446 19 D N 1.081 121.433 120.400 -0.080 0.000 2.472 19 D HA -0.004 4.636 4.640 -0.000 0.000 0.237 19 D C 0.579 176.876 176.300 -0.005 0.000 1.141 19 D CA 0.281 54.242 54.000 -0.066 0.000 0.875 19 D CB 0.202 41.000 40.800 -0.003 0.000 1.192 19 D HN 0.438 nan 8.370 nan 0.000 0.450 20 Y N 1.295 121.631 120.300 0.060 0.000 2.293 20 Y HA -0.180 4.370 4.550 -0.000 0.000 0.291 20 Y C 2.240 178.251 175.900 0.185 0.000 1.137 20 Y CA 1.102 59.286 58.100 0.139 0.000 1.202 20 Y CB -0.302 38.178 38.460 0.032 0.000 0.990 20 Y HN 0.464 nan 8.280 nan 0.000 0.537 21 K N 0.288 120.838 120.400 0.250 0.000 2.211 21 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 21 K C 1.618 178.331 176.600 0.189 0.000 1.047 21 K CA 1.623 58.039 56.287 0.215 0.000 0.935 21 K CB -0.723 31.851 32.500 0.122 0.000 0.728 21 K HN 0.317 nan 8.250 nan 0.000 0.452 22 L N 1.052 122.354 121.223 0.130 0.000 2.131 22 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 22 L C 1.594 178.482 176.870 0.030 0.000 1.092 22 L CA 1.471 56.354 54.840 0.072 0.000 0.759 22 L CB -0.557 41.526 42.059 0.041 0.000 0.903 22 L HN 0.376 nan 8.230 nan 0.000 0.435 23 T N -3.080 111.487 114.554 0.021 0.000 2.978 23 T HA 0.054 4.404 4.350 -0.000 0.000 0.248 23 T C 1.044 175.513 174.700 -0.384 0.000 1.018 23 T CA 0.154 62.124 62.100 -0.217 0.000 1.026 23 T CB 0.171 68.817 68.868 -0.369 0.000 1.032 23 T HN 0.142 nan 8.240 nan 0.000 0.485 24 Y N -0.164 120.195 120.300 0.099 0.000 2.467 24 Y HA 0.413 4.963 4.550 -0.000 0.000 0.250 24 Y C -0.001 175.973 175.900 0.125 0.000 1.155 24 Y CA -1.111 57.037 58.100 0.080 0.000 1.249 24 Y CB 0.412 38.916 38.460 0.072 0.000 1.146 24 Y HN 0.154 nan 8.280 nan 0.000 0.524 25 Y N 0.915 121.275 120.300 0.100 0.000 2.342 25 Y HA 0.504 5.054 4.550 -0.000 0.000 0.338 25 Y C -0.383 175.550 175.900 0.055 0.000 0.965 25 Y CA -1.342 56.800 58.100 0.069 0.000 1.159 25 Y CB 1.182 39.670 38.460 0.047 0.000 1.157 25 Y HN -0.170 nan 8.280 nan 0.000 0.486 26 T N 9.578 123.973 114.554 -0.266 0.000 3.418 26 T HA 0.177 4.527 4.350 -0.000 0.000 0.315 26 T C -2.038 172.553 174.700 -0.181 0.000 1.447 26 T CA -0.840 61.133 62.100 -0.212 0.000 1.641 26 T CB 0.772 69.588 68.868 -0.087 0.000 0.904 26 T HN 0.497 nan 8.240 nan 0.000 0.640 27 P HA -0.037 nan 4.420 nan 0.000 0.228 27 P C 0.868 178.178 177.300 0.017 0.000 1.151 27 P CA 0.898 63.888 63.100 -0.182 0.000 0.770 27 P CB 0.525 32.039 31.700 -0.309 0.000 0.786 28 E N -1.407 118.793 120.200 0.000 0.000 2.447 28 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 28 E C 0.430 177.071 176.600 0.068 0.000 1.028 28 E CA -0.385 56.033 56.400 0.031 0.000 0.876 28 E CB -0.407 29.295 29.700 0.003 0.000 0.885 28 E HN 0.330 nan 8.360 nan 0.000 0.500 29 Y N 2.702 122.985 120.300 -0.027 0.000 2.712 29 Y HA -0.079 4.471 4.550 0.000 0.000 0.333 29 Y C 0.195 176.032 175.900 -0.105 0.000 1.225 29 Y CA 0.339 58.404 58.100 -0.059 0.000 1.499 29 Y CB 0.375 38.805 38.460 -0.050 0.000 1.288 29 Y HN -0.181 nan 8.280 nan 0.000 0.575 30 E N 3.747 123.503 120.200 -0.741 0.000 2.156 30 E HA 0.191 4.540 4.350 -0.000 0.000 0.279 30 E C -0.430 175.498 176.600 -1.120 0.000 0.965 30 E CA -0.709 55.302 56.400 -0.649 0.000 0.789 30 E CB 0.845 30.302 29.700 -0.405 0.000 1.098 30 E HN 0.720 nan 8.360 nan 0.000 0.397 31 T N 1.011 115.099 114.554 -0.777 0.000 2.918 31 T HA 0.298 4.648 4.350 -0.000 0.000 0.302 31 T C 0.396 174.888 174.700 -0.346 0.000 1.045 31 T CA -0.564 61.194 62.100 -0.571 0.000 1.114 31 T CB 0.474 69.122 68.868 -0.367 0.000 0.965 31 T HN 0.243 nan 8.240 nan 0.000 0.540 32 L N 1.877 122.989 121.223 -0.184 0.000 2.399 32 L HA 0.341 4.681 4.340 -0.000 0.000 0.265 32 L C 1.115 177.950 176.870 -0.058 0.000 1.089 32 L CA -0.974 53.805 54.840 -0.102 0.000 0.802 32 L CB 0.609 42.650 42.059 -0.029 0.000 1.180 32 L HN 0.675 nan 8.230 nan 0.000 0.454 33 D N -0.363 120.011 120.400 -0.044 0.000 2.371 33 D HA -0.077 4.563 4.640 -0.000 0.000 0.221 33 D C 1.602 177.896 176.300 -0.010 0.000 0.986 33 D CA 1.021 55.004 54.000 -0.028 0.000 0.899 33 D CB 0.164 40.952 40.800 -0.020 0.000 0.902 33 D HN 0.707 nan 8.370 nan 0.000 0.530 34 T N -2.800 111.757 114.554 0.004 0.000 3.069 34 T HA 0.066 4.415 4.350 -0.000 0.000 0.252 34 T C 0.502 175.224 174.700 0.036 0.000 1.053 34 T CA -0.526 61.589 62.100 0.026 0.000 0.964 34 T CB 0.544 69.434 68.868 0.038 0.000 1.005 34 T HN -0.254 nan 8.240 nan 0.000 0.532 35 D N 1.517 121.939 120.400 0.036 0.000 2.345 35 D HA 0.394 5.034 4.640 -0.000 0.000 0.247 35 D C -0.374 175.942 176.300 0.026 0.000 1.108 35 D CA -0.529 53.515 54.000 0.073 0.000 0.894 35 D CB 0.842 41.695 40.800 0.089 0.000 1.203 35 D HN 0.161 nan 8.370 nan 0.000 0.430 36 I N 2.414 123.026 120.570 0.071 0.000 2.342 36 I HA 0.161 4.331 4.170 -0.000 0.000 0.291 36 I C -0.120 176.052 176.117 0.091 0.000 1.010 36 I CA -0.154 61.123 61.300 -0.039 0.000 1.308 36 I CB 0.636 38.515 38.000 -0.201 0.000 1.400 36 I HN 0.081 nan 8.210 nan 0.000 0.488 37 L N 6.227 127.392 121.223 -0.097 0.000 2.331 37 L HA 0.883 5.223 4.340 -0.000 0.000 0.275 37 L C -0.089 176.708 176.870 -0.121 0.000 1.022 37 L CA -0.770 54.023 54.840 -0.078 0.000 0.812 37 L CB 1.577 43.420 42.059 -0.361 0.000 1.257 37 L HN 0.636 nan 8.230 nan 0.000 0.435 38 A N 1.873 124.812 122.820 0.198 0.000 2.393 38 A HA 0.860 5.180 4.320 -0.000 0.000 0.306 38 A C -0.792 176.907 177.584 0.192 0.000 1.050 38 A CA -0.540 51.581 52.037 0.140 0.000 0.724 38 A CB 1.769 20.834 19.000 0.110 0.000 1.248 38 A HN 0.739 nan 8.150 nan 0.000 0.424 39 A N 1.903 124.717 122.820 -0.011 0.000 2.277 39 A HA 0.713 5.033 4.320 -0.000 0.000 0.318 39 A C -1.115 176.193 177.584 -0.461 0.000 1.339 39 A CA -0.262 51.556 52.037 -0.366 0.000 0.875 39 A CB -0.253 18.376 19.000 -0.618 0.000 1.158 39 A HN 0.607 nan 8.150 nan 0.000 0.514 40 F N 1.188 120.988 119.950 -0.250 0.000 2.421 40 F HA 0.496 5.023 4.527 0.000 0.000 0.337 40 F C 0.999 176.679 175.800 -0.200 0.000 1.105 40 F CA -0.331 57.553 58.000 -0.193 0.000 1.049 40 F CB 1.655 40.562 39.000 -0.154 0.000 1.139 40 F HN 0.580 nan 8.300 nan 0.000 0.479 41 R N 3.612 124.133 120.500 0.035 0.000 2.230 41 R HA 0.530 4.870 4.340 -0.000 0.000 0.337 41 R C -1.688 174.624 176.300 0.020 0.000 1.063 41 R CA -0.273 55.834 56.100 0.011 0.000 0.935 41 R CB 0.357 30.660 30.300 0.004 0.000 1.121 41 R HN 0.540 nan 8.270 nan 0.000 0.486 42 V N 3.147 123.081 119.914 0.034 0.000 2.439 42 V HA 0.279 4.398 4.120 -0.000 0.000 0.282 42 V C -0.035 176.100 176.094 0.069 0.000 1.039 42 V CA -0.512 61.795 62.300 0.013 0.000 0.913 42 V CB 1.803 33.619 31.823 -0.011 0.000 0.983 42 V HN 0.704 nan 8.190 nan 0.000 0.460 43 S N 6.332 122.056 115.700 0.040 0.000 2.532 43 S HA 0.449 4.919 4.470 -0.000 0.000 0.256 43 S C -2.601 172.029 174.600 0.049 0.000 1.298 43 S CA -0.977 57.255 58.200 0.054 0.000 1.166 43 S CB 1.181 64.406 63.200 0.041 0.000 1.022 43 S HN 0.587 nan 8.310 nan 0.000 0.480 44 P HA 0.194 nan 4.420 nan 0.000 0.274 44 P C -0.199 177.116 177.300 0.025 0.000 1.237 44 P CA -0.600 62.515 63.100 0.024 0.000 0.793 44 P CB 0.513 32.219 31.700 0.011 0.000 0.977 45 Q N 1.210 121.013 119.800 0.005 0.000 2.368 45 Q HA 0.242 4.582 4.340 -0.000 0.000 0.237 45 Q C -2.059 173.945 176.000 0.007 0.000 0.987 45 Q CA -1.533 54.275 55.803 0.009 0.000 0.896 45 Q CB -0.721 28.018 28.738 0.003 0.000 1.241 45 Q HN 0.317 nan 8.270 nan 0.000 0.485 46 P HA 0.000 nan 4.420 nan 0.000 0.265 46 P C 0.440 177.740 177.300 -0.000 0.000 1.193 46 P CA 1.077 64.182 63.100 0.009 0.000 0.765 46 P CB 0.345 32.050 31.700 0.008 0.000 0.823 47 G N 1.179 109.977 108.800 -0.003 0.000 2.195 47 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.246 47 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.246 47 G C -0.045 174.840 174.900 -0.025 0.000 0.984 47 G CA -0.165 44.928 45.100 -0.011 0.000 0.633 47 G HN 0.530 nan 8.290 nan 0.000 0.525 48 V N 3.701 123.595 119.914 -0.032 0.000 2.347 48 V HA 0.523 4.643 4.120 -0.000 0.000 0.280 48 V C -1.511 174.535 176.094 -0.080 0.000 1.021 48 V CA -1.433 60.833 62.300 -0.057 0.000 0.847 48 V CB 1.744 33.528 31.823 -0.064 0.000 0.990 48 V HN 0.244 nan 8.190 nan 0.000 0.444 49 P HA 0.287 nan 4.420 nan 0.000 0.278 49 P C -2.353 174.785 177.300 -0.271 0.000 1.238 49 P CA -1.754 61.247 63.100 -0.164 0.000 0.794 49 P CB 0.975 32.589 31.700 -0.144 0.000 0.955 50 P HA -0.245 nan 4.420 nan 0.000 0.217 50 P C 1.271 178.276 177.300 -0.491 0.000 1.162 50 P CA 1.808 64.520 63.100 -0.646 0.000 0.901 50 P CB -0.057 30.993 31.700 -1.084 0.000 0.793 51 E N -0.780 119.106 120.200 -0.522 0.000 2.130 51 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 51 E C 2.023 178.392 176.600 -0.384 0.000 0.998 51 E CA 1.428 57.431 56.400 -0.661 0.000 0.806 51 E CB -0.640 28.601 29.700 -0.765 0.000 0.738 51 E HN 0.367 nan 8.360 nan 0.000 0.459 52 E N 0.172 120.220 120.200 -0.253 0.000 2.112 52 E HA 0.007 4.357 4.350 -0.000 0.000 0.190 52 E C 1.848 178.342 176.600 -0.177 0.000 0.979 52 E CA 1.056 57.376 56.400 -0.133 0.000 0.814 52 E CB -0.239 29.412 29.700 -0.082 0.000 0.762 52 E HN 0.207 nan 8.360 nan 0.000 0.460 53 A N 0.458 123.142 122.820 -0.227 0.000 1.865 53 A HA -0.075 4.244 4.320 -0.000 0.000 0.217 53 A C 2.486 179.902 177.584 -0.279 0.000 1.191 53 A CA 1.911 53.796 52.037 -0.255 0.000 0.623 53 A CB -1.523 17.348 19.000 -0.215 0.000 0.826 53 A HN 0.421 nan 8.150 nan 0.000 0.444 54 G N -0.653 107.994 108.800 -0.255 0.000 2.418 54 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.217 54 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.217 54 G C 1.741 176.538 174.900 -0.172 0.000 1.158 54 G CA 1.554 46.528 45.100 -0.210 0.000 0.771 54 G HN 0.860 nan 8.290 nan 0.000 0.545 55 A N 1.047 123.792 122.820 -0.124 0.000 1.933 55 A HA 0.284 4.604 4.320 -0.000 0.000 0.218 55 A C 2.771 180.195 177.584 -0.267 0.000 1.175 55 A CA 2.159 54.182 52.037 -0.023 0.000 0.628 55 A CB -0.637 18.441 19.000 0.129 0.000 0.814 55 A HN 0.770 nan 8.150 nan 0.000 0.444 56 A N -0.692 121.854 122.820 -0.458 0.000 1.969 56 A HA 0.077 4.397 4.320 -0.000 0.000 0.218 56 A C 2.193 179.425 177.584 -0.588 0.000 1.169 56 A CA 1.581 53.032 52.037 -0.977 0.000 0.635 56 A CB -0.703 17.674 19.000 -1.038 0.000 0.810 56 A HN 0.337 nan 8.150 nan 0.000 0.445 57 V N -0.211 119.474 119.914 -0.383 0.000 2.307 57 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 57 V C 3.050 179.014 176.094 -0.215 0.000 1.045 57 V CA 1.885 64.008 62.300 -0.295 0.000 1.024 57 V CB -1.112 30.385 31.823 -0.545 0.000 0.651 57 V HN 0.590 nan 8.190 nan 0.000 0.449 58 A N -0.210 122.486 122.820 -0.206 0.000 1.933 58 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 58 A C 2.377 179.827 177.584 -0.222 0.000 1.175 58 A CA 2.000 53.967 52.037 -0.118 0.000 0.628 58 A CB -0.642 18.332 19.000 -0.043 0.000 0.814 58 A HN 0.553 nan 8.150 nan 0.000 0.444 59 A N -0.090 122.401 122.820 -0.547 0.000 1.841 59 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 59 A C 1.959 179.310 177.584 -0.390 0.000 1.195 59 A CA 1.941 53.410 52.037 -0.946 0.000 0.611 59 A CB -0.510 17.779 19.000 -1.185 0.000 0.835 59 A HN 0.500 nan 8.150 nan 0.000 0.443 60 E N 0.699 120.771 120.200 -0.212 0.000 2.418 60 E HA -0.073 4.277 4.350 -0.000 0.000 0.197 60 E C 1.591 178.187 176.600 -0.007 0.000 1.026 60 E CA 1.234 57.607 56.400 -0.045 0.000 0.862 60 E CB -0.259 29.448 29.700 0.011 0.000 0.799 60 E HN 0.611 nan 8.360 nan 0.000 0.518 61 S N -1.555 114.174 115.700 0.047 0.000 2.577 61 S HA 0.162 4.632 4.470 -0.000 0.000 0.219 61 S C 1.158 175.881 174.600 0.205 0.000 0.962 61 S CA 0.243 58.534 58.200 0.152 0.000 0.921 61 S CB 0.175 63.547 63.200 0.286 0.000 0.789 61 S HN 0.257 nan 8.310 nan 0.000 0.497 62 S N 1.324 117.108 115.700 0.140 0.000 4.640 62 S HA 0.159 4.628 4.470 -0.000 0.000 0.157 62 S C 1.336 175.980 174.600 0.074 0.000 0.963 62 S CA 0.531 58.821 58.200 0.150 0.000 1.235 62 S CB -0.262 63.103 63.200 0.275 0.000 1.848 62 S HN 0.509 nan 8.310 nan 0.000 0.751 63 T N -0.816 113.800 114.554 0.104 0.000 2.975 63 T HA 0.509 4.859 4.350 -0.000 0.000 0.261 63 T C 0.807 175.571 174.700 0.107 0.000 0.984 63 T CA 0.395 62.556 62.100 0.103 0.000 0.911 63 T CB 0.214 69.188 68.868 0.176 0.000 1.127 63 T HN 0.745 nan 8.240 nan 0.000 0.514 64 G N 0.166 109.007 108.800 0.069 0.000 2.491 64 G HA2 0.581 4.541 3.960 -0.000 0.000 0.327 64 G HA3 0.581 4.541 3.960 -0.000 0.000 0.327 64 G C -0.946 174.023 174.900 0.114 0.000 1.189 64 G CA -0.364 44.803 45.100 0.113 0.000 0.956 64 G HN 0.257 nan 8.290 nan 0.000 0.491 65 T N -1.314 113.334 114.554 0.157 0.000 2.693 65 T HA 0.406 4.756 4.350 -0.000 0.000 0.278 65 T C 0.682 175.527 174.700 0.242 0.000 0.994 65 T CA -0.483 61.732 62.100 0.192 0.000 1.033 65 T CB 0.832 69.750 68.868 0.084 0.000 1.342 65 T HN 0.672 nan 8.240 nan 0.000 0.538 66 W N 0.965 122.371 121.300 0.177 0.000 2.699 66 W HA 0.274 4.934 4.660 -0.000 0.000 0.249 66 W C 0.244 176.754 176.519 -0.015 0.000 1.280 66 W CA 0.526 57.926 57.345 0.092 0.000 1.345 66 W CB -1.065 28.469 29.460 0.123 0.000 1.128 66 W HN 0.555 nan 8.180 nan 0.000 0.642 67 T N 0.671 114.771 114.554 -0.757 0.000 2.868 67 T HA 0.313 4.663 4.350 -0.000 0.000 0.306 67 T C -0.501 173.987 174.700 -0.353 0.000 1.224 67 T CA -0.351 61.346 62.100 -0.673 0.000 1.012 67 T CB 1.678 69.813 68.868 -1.222 0.000 1.221 67 T HN -0.198 nan 8.240 nan 0.000 0.499 68 T N 2.726 117.180 114.554 -0.167 0.000 2.888 68 T HA 0.450 4.800 4.350 -0.000 0.000 0.301 68 T C 0.284 175.064 174.700 0.135 0.000 1.001 68 T CA -0.265 61.843 62.100 0.014 0.000 1.147 68 T CB 0.039 68.954 68.868 0.079 0.000 0.931 68 T HN 0.726 nan 8.240 nan 0.000 0.541 69 V N 2.918 122.876 119.914 0.072 0.000 2.581 69 V HA 0.505 4.625 4.120 -0.000 0.000 0.303 69 V C 1.125 177.097 176.094 -0.203 0.000 1.041 69 V CA -1.184 61.083 62.300 -0.055 0.000 0.907 69 V CB 1.429 33.129 31.823 -0.206 0.000 0.994 69 V HN 1.035 nan 8.190 nan 0.000 0.442 70 W N 2.221 123.111 121.300 -0.683 0.000 2.519 70 W HA -0.075 4.585 4.660 -0.000 0.000 0.266 70 W C 1.409 177.704 176.519 -0.373 0.000 1.253 70 W CA 1.346 58.145 57.345 -0.910 0.000 1.274 70 W CB -1.685 26.965 29.460 -1.349 0.000 1.114 70 W HN 0.762 nan 8.180 nan 0.000 0.596 71 T N -1.101 112.836 114.554 -1.029 0.000 2.977 71 T HA -0.203 4.147 4.350 -0.000 0.000 0.271 71 T C 1.104 175.595 174.700 -0.348 0.000 1.105 71 T CA 1.524 63.104 62.100 -0.867 0.000 1.116 71 T CB -0.591 67.689 68.868 -0.981 0.000 0.878 71 T HN -0.096 nan 8.240 nan 0.000 0.509 72 D N 1.972 122.239 120.400 -0.220 0.000 2.221 72 D HA -0.026 4.614 4.640 -0.000 0.000 0.204 72 D C 2.269 178.551 176.300 -0.031 0.000 0.982 72 D CA 1.261 55.210 54.000 -0.085 0.000 0.857 72 D CB -0.812 39.976 40.800 -0.019 0.000 0.934 72 D HN 0.614 nan 8.370 nan 0.000 0.475 73 G N -0.132 108.663 108.800 -0.008 0.000 2.598 73 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.215 73 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.215 73 G C 1.532 176.458 174.900 0.042 0.000 1.131 73 G CA -0.060 45.066 45.100 0.044 0.000 0.785 73 G HN 0.279 nan 8.290 nan 0.000 0.539 74 L N 0.797 122.025 121.223 0.007 0.000 2.492 74 L HA 0.133 4.473 4.340 -0.000 0.000 0.223 74 L C 1.326 178.204 176.870 0.014 0.000 1.132 74 L CA 0.511 55.360 54.840 0.016 0.000 0.850 74 L CB -0.320 41.729 42.059 -0.017 0.000 0.966 74 L HN 0.197 nan 8.230 nan 0.000 0.454 75 T N -3.153 111.411 114.554 0.017 0.000 2.718 75 T HA 0.244 4.594 4.350 -0.000 0.000 0.267 75 T C -0.335 174.418 174.700 0.088 0.000 0.957 75 T CA -0.640 61.501 62.100 0.068 0.000 1.025 75 T CB 1.357 70.279 68.868 0.089 0.000 1.355 75 T HN -0.182 nan 8.240 nan 0.000 0.572 76 N N 0.768 119.555 118.700 0.146 0.000 2.898 76 N HA 0.230 4.970 4.740 -0.000 0.000 0.245 76 N C 0.346 175.919 175.510 0.106 0.000 1.185 76 N CA -0.596 52.501 53.050 0.078 0.000 0.879 76 N CB 0.305 38.806 38.487 0.023 0.000 1.157 76 N HN 0.467 nan 8.380 nan 0.000 0.503 77 L N 2.223 123.502 121.223 0.094 0.000 2.127 77 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 77 L C 1.273 178.158 176.870 0.024 0.000 1.089 77 L CA 1.609 56.510 54.840 0.101 0.000 0.757 77 L CB -0.344 41.741 42.059 0.044 0.000 0.899 77 L HN 0.466 nan 8.230 nan 0.000 0.434 78 D N -1.028 119.353 120.400 -0.031 0.000 2.221 78 D HA -0.203 4.437 4.640 -0.000 0.000 0.204 78 D C 2.139 178.378 176.300 -0.101 0.000 0.982 78 D CA 1.108 55.065 54.000 -0.071 0.000 0.857 78 D CB 0.033 40.797 40.800 -0.060 0.000 0.934 78 D HN 0.429 nan 8.370 nan 0.000 0.475 79 R N -1.016 119.383 120.500 -0.168 0.000 2.280 79 R HA 0.004 4.344 4.340 -0.000 0.000 0.195 79 R C 0.754 176.809 176.300 -0.408 0.000 0.935 79 R CA 0.587 56.499 56.100 -0.314 0.000 1.033 79 R CB -0.081 29.956 30.300 -0.438 0.000 0.964 79 R HN 0.253 nan 8.270 nan 0.000 0.489 80 Y N 2.043 122.338 120.300 -0.008 0.000 2.483 80 Y HA 0.196 4.746 4.550 0.000 0.000 0.258 80 Y C 0.380 176.296 175.900 0.026 0.000 1.083 80 Y CA -0.565 57.535 58.100 -0.000 0.000 1.283 80 Y CB 0.363 38.818 38.460 -0.008 0.000 1.178 80 Y HN -0.010 nan 8.280 nan 0.000 0.515 81 K N 1.261 121.757 120.400 0.160 0.000 2.436 81 K HA 0.331 4.651 4.320 -0.000 0.000 0.275 81 K C 0.550 177.224 176.600 0.123 0.000 0.999 81 K CA 0.170 56.568 56.287 0.186 0.000 0.980 81 K CB 0.627 33.180 32.500 0.090 0.000 0.919 81 K HN 0.132 nan 8.250 nan 0.000 0.484 82 G N 2.368 111.282 108.800 0.189 0.000 2.507 82 G HA2 0.361 4.321 3.960 -0.000 0.000 0.271 82 G HA3 0.361 4.321 3.960 -0.000 0.000 0.271 82 G C -0.785 174.131 174.900 0.027 0.000 1.189 82 G CA -1.056 44.035 45.100 -0.014 0.000 0.859 82 G HN 0.807 nan 8.290 nan 0.000 0.542 83 R N -0.108 120.330 120.500 -0.103 0.000 2.584 83 R HA 0.375 4.715 4.340 -0.000 0.000 0.276 83 R C -1.624 174.734 176.300 0.096 0.000 1.046 83 R CA -0.743 55.357 56.100 0.001 0.000 0.906 83 R CB 0.654 30.854 30.300 -0.167 0.000 1.215 83 R HN 0.475 nan 8.270 nan 0.000 0.449 84 C N 5.121 124.522 119.300 0.169 0.000 2.416 84 C HA 0.293 4.753 4.460 -0.000 0.000 0.355 84 C C 0.795 175.961 174.990 0.293 0.000 1.211 84 C CA -0.476 58.674 59.018 0.221 0.000 1.699 84 C CB -1.723 26.159 27.740 0.237 0.000 2.310 84 C HN 0.895 nan 8.230 nan 0.000 0.539 85 Y N 3.038 123.480 120.300 0.237 0.000 2.467 85 Y HA 0.476 5.026 4.550 -0.000 0.000 0.250 85 Y C 0.605 176.705 175.900 0.333 0.000 1.155 85 Y CA -0.263 57.970 58.100 0.221 0.000 1.249 85 Y CB -0.487 38.141 38.460 0.279 0.000 1.146 85 Y HN 0.789 nan 8.280 nan 0.000 0.524 86 H N 0.036 119.078 119.070 -0.046 0.000 3.121 86 H HA 0.504 5.060 4.556 0.000 0.000 0.337 86 H C -2.067 173.370 175.328 0.183 0.000 1.198 86 H CA -0.834 55.243 56.048 0.049 0.000 1.274 86 H CB 1.774 31.448 29.762 -0.147 0.000 1.954 86 H HN 0.136 nan 8.280 nan 0.000 0.531 87 I N 3.716 124.054 120.570 -0.387 0.000 2.533 87 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 87 I C -0.751 175.196 176.117 -0.282 0.000 1.056 87 I CA -0.534 60.651 61.300 -0.192 0.000 1.057 87 I CB 2.328 40.250 38.000 -0.131 0.000 1.240 87 I HN 0.544 nan 8.210 nan 0.000 0.423 88 E N 8.522 128.709 120.200 -0.022 0.000 2.263 88 E HA 0.501 4.851 4.350 -0.000 0.000 0.268 88 E C -2.876 173.817 176.600 0.154 0.000 0.884 88 E CA -1.988 54.447 56.400 0.057 0.000 0.766 88 E CB 2.698 32.491 29.700 0.155 0.000 1.196 88 E HN 0.160 nan 8.360 nan 0.000 0.416 89 P HA 0.013 nan 4.420 nan 0.000 0.271 89 P C -0.150 177.128 177.300 -0.036 0.000 1.218 89 P CA -0.398 62.729 63.100 0.046 0.000 0.780 89 P CB 1.156 32.888 31.700 0.053 0.000 0.901 90 V N 2.925 122.751 119.914 -0.147 0.000 2.432 90 V HA 0.247 4.367 4.120 -0.000 0.000 0.271 90 V C 1.064 177.112 176.094 -0.078 0.000 1.046 90 V CA -0.497 61.752 62.300 -0.085 0.000 0.945 90 V CB 0.360 32.125 31.823 -0.096 0.000 0.992 90 V HN 0.718 nan 8.190 nan 0.000 0.471 91 A N 4.473 127.272 122.820 -0.034 0.000 2.524 91 A HA 0.495 4.815 4.320 -0.000 0.000 0.250 91 A C 1.542 179.108 177.584 -0.029 0.000 1.078 91 A CA 0.636 52.657 52.037 -0.027 0.000 0.761 91 A CB -0.494 18.499 19.000 -0.011 0.000 1.012 91 A HN 2.107 nan 8.150 nan 0.000 0.500 92 G N 1.380 110.161 108.800 -0.031 0.000 2.179 92 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.260 92 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.260 92 G C 0.039 174.918 174.900 -0.035 0.000 0.977 92 G CA 0.540 45.624 45.100 -0.025 0.000 0.641 92 G HN 0.797 nan 8.290 nan 0.000 0.533 93 E N 0.658 120.822 120.200 -0.060 0.000 2.244 93 E HA 0.501 4.851 4.350 -0.000 0.000 0.266 93 E C -0.328 176.208 176.600 -0.107 0.000 0.914 93 E CA -0.623 55.732 56.400 -0.074 0.000 0.794 93 E CB 1.641 31.290 29.700 -0.085 0.000 1.210 93 E HN 0.473 nan 8.360 nan 0.000 0.414 94 E N 1.435 121.579 120.200 -0.093 0.000 2.179 94 E HA 0.221 4.571 4.350 -0.000 0.000 0.275 94 E C -0.084 176.442 176.600 -0.123 0.000 0.945 94 E CA -0.893 55.451 56.400 -0.093 0.000 0.792 94 E CB 0.788 30.462 29.700 -0.044 0.000 1.125 94 E HN 0.429 nan 8.360 nan 0.000 0.397 95 N N 1.045 119.650 118.700 -0.158 0.000 2.727 95 N HA -0.257 4.483 4.740 -0.000 0.000 0.249 95 N C -1.258 174.124 175.510 -0.214 0.000 1.048 95 N CA 1.310 54.294 53.050 -0.110 0.000 0.714 95 N CB -0.796 37.701 38.487 0.018 0.000 0.959 95 N HN 0.735 nan 8.380 nan 0.000 0.544 96 Q N 0.356 119.811 119.800 -0.575 0.000 2.305 96 Q HA 0.534 4.874 4.340 -0.000 0.000 0.271 96 Q C -1.497 174.042 176.000 -0.768 0.000 1.046 96 Q CA -0.697 54.860 55.803 -0.410 0.000 0.798 96 Q CB 1.088 29.706 28.738 -0.200 0.000 1.286 96 Q HN 0.248 nan 8.270 nan 0.000 0.435 97 Y N 1.677 121.961 120.300 -0.026 0.000 2.609 97 Y HA 0.552 5.102 4.550 -0.000 0.000 0.342 97 Y C -0.410 175.471 175.900 -0.032 0.000 1.058 97 Y CA -1.182 56.901 58.100 -0.029 0.000 1.055 97 Y CB 1.465 39.892 38.460 -0.054 0.000 1.292 97 Y HN 0.455 nan 8.280 nan 0.000 0.476 98 I N 2.104 122.752 120.570 0.130 0.000 2.354 98 I HA 0.258 4.428 4.170 -0.000 0.000 0.286 98 I C -0.829 175.270 176.117 -0.030 0.000 1.007 98 I CA -0.673 60.630 61.300 0.005 0.000 1.167 98 I CB 0.456 38.465 38.000 0.016 0.000 1.320 98 I HN 0.579 nan 8.210 nan 0.000 0.458 99 C N 6.885 126.152 119.300 -0.055 0.000 2.319 99 C HA 0.477 4.936 4.460 -0.000 0.000 0.335 99 C C -0.027 174.916 174.990 -0.079 0.000 1.274 99 C CA -0.627 58.382 59.018 -0.015 0.000 1.806 99 C CB 0.108 27.844 27.740 -0.006 0.000 2.329 99 C HN 0.493 nan 8.230 nan 0.000 0.524 100 Y N 1.786 122.075 120.300 -0.019 0.000 2.328 100 Y HA 0.558 5.108 4.550 0.000 0.000 0.337 100 Y C 0.313 176.158 175.900 -0.092 0.000 1.008 100 Y CA -0.300 57.763 58.100 -0.062 0.000 1.129 100 Y CB 0.964 39.202 38.460 -0.371 0.000 1.185 100 Y HN 0.407 nan 8.280 nan 0.000 0.476 101 V N 2.862 122.954 119.914 0.298 0.000 2.604 101 V HA 0.833 4.952 4.120 -0.000 0.000 0.305 101 V C -0.382 175.872 176.094 0.267 0.000 1.043 101 V CA -1.096 61.342 62.300 0.230 0.000 0.888 101 V CB 1.670 33.565 31.823 0.120 0.000 0.995 101 V HN 0.842 nan 8.190 nan 0.000 0.429 102 A N 3.786 126.707 122.820 0.169 0.000 2.318 102 A HA 0.877 5.197 4.320 -0.000 0.000 0.324 102 A C -1.544 175.953 177.584 -0.146 0.000 1.170 102 A CA -0.408 51.696 52.037 0.111 0.000 0.810 102 A CB 0.759 19.845 19.000 0.143 0.000 1.198 102 A HN 0.739 nan 8.150 nan 0.000 0.484 103 Y N 2.765 123.182 120.300 0.196 0.000 2.350 103 Y HA 0.450 5.000 4.550 -0.000 0.000 0.338 103 Y C -2.179 173.846 175.900 0.208 0.000 0.961 103 Y CA -2.479 55.754 58.100 0.220 0.000 1.100 103 Y CB 1.974 40.671 38.460 0.395 0.000 1.179 103 Y HN 0.494 nan 8.280 nan 0.000 0.454 104 P HA -0.028 nan 4.420 nan 0.000 0.269 104 P C 0.775 178.204 177.300 0.215 0.000 1.209 104 P CA -0.223 62.983 63.100 0.177 0.000 0.776 104 P CB 1.412 33.164 31.700 0.086 0.000 0.876 105 L N 2.485 123.806 121.223 0.164 0.000 2.187 105 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 105 L C 1.317 178.275 176.870 0.147 0.000 1.100 105 L CA 2.017 56.958 54.840 0.167 0.000 0.765 105 L CB -1.135 40.989 42.059 0.107 0.000 0.904 105 L HN 0.200 nan 8.230 nan 0.000 0.437 106 D N -0.847 119.618 120.400 0.109 0.000 2.378 106 D HA -0.073 4.566 4.640 -0.000 0.000 0.222 106 D C 2.012 178.320 176.300 0.015 0.000 0.980 106 D CA 0.746 54.813 54.000 0.110 0.000 0.907 106 D CB -0.021 40.910 40.800 0.218 0.000 0.899 106 D HN 0.405 nan 8.370 nan 0.000 0.527 107 L N -0.857 120.261 121.223 -0.174 0.000 2.509 107 L HA 0.110 4.450 4.340 -0.000 0.000 0.222 107 L C 0.056 176.466 176.870 -0.767 0.000 1.123 107 L CA 0.212 54.748 54.840 -0.508 0.000 0.856 107 L CB -0.005 41.606 42.059 -0.746 0.000 0.985 107 L HN -0.120 nan 8.230 nan 0.000 0.456 108 F N -0.252 119.659 119.950 -0.065 0.000 2.480 108 F HA 0.334 4.861 4.527 0.000 0.000 0.329 108 F C 0.620 176.446 175.800 0.044 0.000 1.091 108 F CA -1.139 56.819 58.000 -0.070 0.000 0.972 108 F CB 1.036 39.845 39.000 -0.319 0.000 1.150 108 F HN -0.184 nan 8.300 nan 0.000 0.467 109 E N 1.488 121.828 120.200 0.233 0.000 2.313 109 E HA 0.160 4.510 4.350 -0.000 0.000 0.276 109 E C -0.843 175.885 176.600 0.213 0.000 1.031 109 E CA -0.641 55.853 56.400 0.157 0.000 0.857 109 E CB 0.674 30.424 29.700 0.083 0.000 1.040 109 E HN 0.518 nan 8.360 nan 0.000 0.408 110 E N 2.007 122.271 120.200 0.106 0.000 2.414 110 E HA 0.190 4.540 4.350 -0.000 0.000 0.263 110 E C 0.796 177.191 176.600 -0.342 0.000 1.000 110 E CA 1.265 57.632 56.400 -0.055 0.000 0.914 110 E CB 0.661 30.323 29.700 -0.064 0.000 0.948 110 E HN 0.794 nan 8.360 nan 0.000 0.444 111 G N 2.549 110.767 108.800 -0.969 0.000 2.166 111 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 111 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 111 G C 0.332 174.892 174.900 -0.567 0.000 0.986 111 G CA 0.582 44.920 45.100 -1.270 0.000 0.683 111 G HN 0.523 nan 8.290 nan 0.000 0.527 112 S N -0.484 115.079 115.700 -0.229 0.000 2.516 112 S HA 0.516 4.986 4.470 -0.000 0.000 0.268 112 S C 1.484 176.164 174.600 0.132 0.000 1.251 112 S CA 0.110 58.334 58.200 0.039 0.000 1.153 112 S CB 1.155 64.380 63.200 0.041 0.000 1.009 112 S HN 0.547 nan 8.310 nan 0.000 0.479 113 V N 4.631 124.594 119.914 0.081 0.000 2.594 113 V HA -0.121 3.999 4.120 -0.000 0.000 0.253 113 V C 2.524 178.361 176.094 -0.428 0.000 1.069 113 V CA 2.367 64.471 62.300 -0.327 0.000 1.082 113 V CB -0.899 30.532 31.823 -0.653 0.000 0.680 113 V HN 0.814 nan 8.190 nan 0.000 0.469 114 T N -0.102 114.366 114.554 -0.145 0.000 2.788 114 T HA -0.215 4.135 4.350 -0.000 0.000 0.268 114 T C 1.910 176.637 174.700 0.044 0.000 1.044 114 T CA 1.798 63.902 62.100 0.006 0.000 1.139 114 T CB -0.395 68.532 68.868 0.098 0.000 0.867 114 T HN 0.573 nan 8.240 nan 0.000 0.454 115 N N 0.523 119.261 118.700 0.063 0.000 2.250 115 N HA -0.027 4.713 4.740 -0.000 0.000 0.181 115 N C 2.098 177.716 175.510 0.181 0.000 1.017 115 N CA 0.811 53.931 53.050 0.118 0.000 0.866 115 N CB -0.178 38.392 38.487 0.137 0.000 0.985 115 N HN 0.375 nan 8.380 nan 0.000 0.429 116 M N -0.010 119.679 119.600 0.150 0.000 2.065 116 M HA -0.193 4.287 4.480 -0.000 0.000 0.259 116 M C 1.435 177.828 176.300 0.154 0.000 1.069 116 M CA 1.665 57.035 55.300 0.117 0.000 1.110 116 M CB -0.177 32.316 32.600 -0.178 0.000 1.328 116 M HN 0.025 nan 8.290 nan 0.000 0.405 117 F N 0.479 120.421 119.950 -0.013 0.000 2.234 117 F HA -0.119 4.407 4.527 -0.000 0.000 0.299 117 F C 2.582 178.395 175.800 0.022 0.000 1.087 117 F CA 1.526 59.514 58.000 -0.019 0.000 1.340 117 F CB -1.738 37.233 39.000 -0.048 0.000 1.031 117 F HN 0.212 nan 8.300 nan 0.000 0.500 118 T N -1.028 113.659 114.554 0.221 0.000 2.833 118 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 118 T C 2.325 177.087 174.700 0.103 0.000 1.054 118 T CA 1.608 63.789 62.100 0.134 0.000 1.135 118 T CB -0.240 68.686 68.868 0.096 0.000 0.869 118 T HN 0.150 nan 8.240 nan 0.000 0.466 119 S N 0.778 116.545 115.700 0.111 0.000 2.327 119 S HA 0.177 4.647 4.470 -0.000 0.000 0.213 119 S C 2.031 176.679 174.600 0.081 0.000 1.032 119 S CA 0.470 58.706 58.200 0.059 0.000 0.960 119 S CB -0.243 62.952 63.200 -0.007 0.000 0.900 119 S HN 0.390 nan 8.310 nan 0.000 0.469 120 I N 0.981 121.599 120.570 0.079 0.000 2.454 120 I HA -0.053 4.117 4.170 -0.000 0.000 0.254 120 I C 1.213 177.532 176.117 0.338 0.000 1.156 120 I CA 0.975 62.359 61.300 0.140 0.000 1.433 120 I CB 0.004 38.040 38.000 0.059 0.000 1.082 120 I HN 0.127 nan 8.210 nan 0.000 0.432 121 V N 0.019 120.073 119.914 0.233 0.000 3.330 121 V HA 0.233 4.353 4.120 -0.000 0.000 0.309 121 V C 1.798 177.940 176.094 0.081 0.000 1.481 121 V CA 0.541 62.956 62.300 0.192 0.000 1.068 121 V CB 0.668 32.435 31.823 -0.093 0.000 0.935 121 V HN 0.397 nan 8.190 nan 0.000 0.453 122 G N 1.138 109.997 108.800 0.099 0.000 2.453 122 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 122 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 122 G C 1.148 176.062 174.900 0.023 0.000 1.201 122 G CA 1.219 46.346 45.100 0.046 0.000 0.784 122 G HN 0.542 nan 8.290 nan 0.000 0.545 123 N N -0.483 118.224 118.700 0.013 0.000 2.266 123 N HA -0.002 4.738 4.740 -0.000 0.000 0.217 123 N C 2.236 177.661 175.510 -0.141 0.000 1.211 123 N CA 0.843 53.847 53.050 -0.077 0.000 0.881 123 N CB 0.372 38.758 38.487 -0.169 0.000 1.153 123 N HN 0.284 nan 8.380 nan 0.000 0.489 124 V N -0.874 119.002 119.914 -0.062 0.000 2.546 124 V HA -0.129 3.990 4.120 -0.000 0.000 0.254 124 V C 1.627 177.726 176.094 0.007 0.000 1.076 124 V CA 1.401 63.643 62.300 -0.097 0.000 1.087 124 V CB -1.221 30.561 31.823 -0.069 0.000 0.674 124 V HN -0.059 nan 8.190 nan 0.000 0.470 125 F N 2.298 122.223 119.950 -0.042 0.000 2.699 125 F HA 0.337 4.863 4.527 -0.000 0.000 0.298 125 F C 2.213 178.072 175.800 0.098 0.000 1.154 125 F CA 0.872 58.891 58.000 0.031 0.000 1.457 125 F CB -0.679 38.328 39.000 0.011 0.000 1.106 125 F HN 0.356 nan 8.300 nan 0.000 0.585 126 G N -1.709 107.181 108.800 0.151 0.000 3.324 126 G HA2 0.063 4.023 3.960 -0.000 0.000 0.251 126 G HA3 0.063 4.023 3.960 -0.000 0.000 0.251 126 G C 0.117 175.057 174.900 0.068 0.000 1.072 126 G CA -0.191 44.964 45.100 0.092 0.000 0.787 126 G HN -0.026 nan 8.290 nan 0.000 0.537 127 F N 1.496 121.461 119.950 0.025 0.000 2.607 127 F HA 0.175 4.702 4.527 -0.000 0.000 0.374 127 F C 1.760 177.562 175.800 0.003 0.000 1.104 127 F CA 0.089 58.088 58.000 -0.002 0.000 1.296 127 F CB 1.073 40.045 39.000 -0.046 0.000 1.085 127 F HN -0.040 nan 8.300 nan 0.000 0.584 128 K N 2.637 123.193 120.400 0.260 0.000 2.147 128 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 128 K C 1.837 178.489 176.600 0.088 0.000 1.049 128 K CA 1.175 57.538 56.287 0.128 0.000 0.936 128 K CB -0.098 32.456 32.500 0.091 0.000 0.722 128 K HN 0.688 nan 8.250 nan 0.000 0.446 129 A N 0.786 123.648 122.820 0.070 0.000 2.239 129 A HA 0.073 4.393 4.320 -0.000 0.000 0.209 129 A C 0.614 178.184 177.584 -0.023 0.000 1.171 129 A CA 0.508 52.535 52.037 -0.017 0.000 0.768 129 A CB -0.152 18.782 19.000 -0.110 0.000 0.790 129 A HN 0.093 nan 8.150 nan 0.000 0.478 130 L N -2.024 119.216 121.223 0.029 0.000 2.333 130 L HA 0.472 4.812 4.340 -0.000 0.000 0.269 130 L C 1.264 178.165 176.870 0.052 0.000 1.010 130 L CA -0.752 54.100 54.840 0.020 0.000 0.818 130 L CB 1.774 43.844 42.059 0.018 0.000 1.306 130 L HN 0.121 nan 8.230 nan 0.000 0.430 131 R N 0.835 121.364 120.500 0.049 0.000 2.128 131 R HA 0.414 4.754 4.340 -0.000 0.000 0.211 131 R C -0.036 176.325 176.300 0.101 0.000 1.067 131 R CA 0.576 56.711 56.100 0.058 0.000 1.010 131 R CB 0.676 31.003 30.300 0.044 0.000 0.922 131 R HN 0.737 nan 8.270 nan 0.000 0.457 132 A N 0.375 123.272 122.820 0.129 0.000 2.612 132 A HA 0.611 4.931 4.320 -0.000 0.000 0.293 132 A C -2.086 175.565 177.584 0.112 0.000 1.075 132 A CA -0.591 51.607 52.037 0.268 0.000 0.680 132 A CB 1.726 20.859 19.000 0.221 0.000 1.279 132 A HN 0.039 nan 8.150 nan 0.000 0.411 133 L N 0.378 121.598 121.223 -0.005 0.000 2.513 133 L HA 0.806 5.146 4.340 -0.000 0.000 0.261 133 L C -0.730 175.974 176.870 -0.277 0.000 0.945 133 L CA -0.117 54.541 54.840 -0.303 0.000 0.848 133 L CB 1.997 43.625 42.059 -0.718 0.000 1.334 133 L HN 0.865 nan 8.230 nan 0.000 0.407 134 R N 3.890 124.349 120.500 -0.069 0.000 2.574 134 R HA 0.606 4.946 4.340 -0.000 0.000 0.288 134 R C -1.939 174.435 176.300 0.124 0.000 1.004 134 R CA -0.864 55.299 56.100 0.105 0.000 0.895 134 R CB 1.788 32.139 30.300 0.085 0.000 1.191 134 R HN 0.666 nan 8.270 nan 0.000 0.444 135 L N 4.234 125.564 121.223 0.178 0.000 2.265 135 L HA 0.282 4.622 4.340 -0.000 0.000 0.288 135 L C 0.625 177.431 176.870 -0.107 0.000 1.058 135 L CA 0.516 55.302 54.840 -0.090 0.000 0.809 135 L CB 1.246 43.267 42.059 -0.064 0.000 1.179 135 L HN 0.725 nan 8.230 nan 0.000 0.429 136 E N 2.246 122.288 120.200 -0.263 0.000 2.201 136 E HA 0.128 4.478 4.350 -0.000 0.000 0.193 136 E C -0.309 176.145 176.600 -0.243 0.000 0.957 136 E CA 0.403 56.624 56.400 -0.299 0.000 0.858 136 E CB 0.536 29.823 29.700 -0.689 0.000 0.816 136 E HN 0.687 nan 8.360 nan 0.000 0.475 137 D N -1.058 119.206 120.400 -0.228 0.000 2.653 137 D HA 0.403 5.042 4.640 -0.000 0.000 0.258 137 D C -1.579 174.804 176.300 0.138 0.000 1.252 137 D CA -0.461 53.554 54.000 0.025 0.000 0.777 137 D CB 1.359 42.237 40.800 0.130 0.000 1.339 137 D HN -0.150 nan 8.370 nan 0.000 0.422 138 L N 1.181 122.486 121.223 0.137 0.000 2.431 138 L HA 0.526 4.866 4.340 -0.000 0.000 0.266 138 L C -0.357 176.429 176.870 -0.141 0.000 0.978 138 L CA -0.895 53.925 54.840 -0.033 0.000 0.822 138 L CB 2.286 44.313 42.059 -0.053 0.000 1.310 138 L HN 0.187 nan 8.230 nan 0.000 0.409 139 R N 3.910 124.136 120.500 -0.458 0.000 2.215 139 R HA 0.493 4.833 4.340 -0.000 0.000 0.337 139 R C -1.067 175.055 176.300 -0.298 0.000 1.010 139 R CA -0.491 55.361 56.100 -0.414 0.000 0.871 139 R CB 0.528 30.434 30.300 -0.657 0.000 1.134 139 R HN 0.572 nan 8.270 nan 0.000 0.477 140 I N 7.722 128.130 120.570 -0.270 0.000 2.312 140 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 140 I C -1.681 174.321 176.117 -0.191 0.000 1.031 140 I CA -2.006 59.164 61.300 -0.217 0.000 1.293 140 I CB 1.559 39.414 38.000 -0.241 0.000 1.403 140 I HN 0.289 nan 8.210 nan 0.000 0.484 141 P HA -0.040 nan 4.420 nan 0.000 0.268 141 P C 1.088 178.383 177.300 -0.009 0.000 1.205 141 P CA -0.126 62.945 63.100 -0.049 0.000 0.771 141 P CB 1.216 32.910 31.700 -0.009 0.000 0.858 142 V N 0.868 120.771 119.914 -0.018 0.000 2.568 142 V HA -0.226 3.894 4.120 -0.000 0.000 0.253 142 V C 2.216 178.345 176.094 0.059 0.000 1.072 142 V CA 2.021 64.326 62.300 0.009 0.000 1.084 142 V CB -2.091 29.739 31.823 0.013 0.000 0.676 142 V HN 0.528 nan 8.190 nan 0.000 0.469 143 A N -1.037 121.828 122.820 0.075 0.000 2.015 143 A HA -0.104 4.216 4.320 -0.000 0.000 0.219 143 A C 2.115 179.804 177.584 0.176 0.000 1.163 143 A CA 1.770 53.867 52.037 0.101 0.000 0.646 143 A CB -0.715 18.338 19.000 0.088 0.000 0.806 143 A HN 0.723 nan 8.150 nan 0.000 0.448 144 Y N -0.259 120.068 120.300 0.044 0.000 2.397 144 Y HA 0.039 4.589 4.550 -0.000 0.000 0.292 144 Y C 2.230 178.250 175.900 0.201 0.000 1.115 144 Y CA 0.838 58.995 58.100 0.093 0.000 1.208 144 Y CB -0.084 38.409 38.460 0.055 0.000 1.046 144 Y HN 0.045 nan 8.280 nan 0.000 0.552 145 V N 0.685 120.687 119.914 0.147 0.000 2.469 145 V HA -0.280 3.840 4.120 -0.000 0.000 0.251 145 V C 2.172 178.371 176.094 0.174 0.000 1.064 145 V CA 1.880 64.256 62.300 0.126 0.000 1.066 145 V CB -0.463 31.394 31.823 0.058 0.000 0.667 145 V HN 0.224 nan 8.190 nan 0.000 0.461 146 K N 0.506 120.969 120.400 0.105 0.000 2.439 146 K HA -0.051 4.269 4.320 -0.000 0.000 0.197 146 K C 1.993 178.599 176.600 0.010 0.000 1.041 146 K CA 1.418 57.745 56.287 0.066 0.000 0.970 146 K CB -0.627 31.902 32.500 0.048 0.000 0.773 146 K HN 0.728 nan 8.250 nan 0.000 0.479 147 T N -1.990 112.527 114.554 -0.062 0.000 3.169 147 T HA 0.147 4.497 4.350 -0.000 0.000 0.250 147 T C 0.382 174.826 174.700 -0.427 0.000 1.111 147 T CA -0.225 61.729 62.100 -0.244 0.000 1.010 147 T CB -0.310 68.352 68.868 -0.343 0.000 0.984 147 T HN -0.172 nan 8.240 nan 0.000 0.537 148 F N 0.818 120.689 119.950 -0.131 0.000 2.538 148 F HA 0.489 5.015 4.527 -0.000 0.000 0.325 148 F C 1.441 177.211 175.800 -0.050 0.000 1.066 148 F CA -1.257 56.687 58.000 -0.094 0.000 0.946 148 F CB 2.143 41.071 39.000 -0.120 0.000 1.199 148 F HN -0.129 nan 8.300 nan 0.000 0.473 149 Q N 1.899 121.801 119.800 0.169 0.000 2.163 149 Q HA 0.275 4.615 4.340 -0.000 0.000 0.198 149 Q C 0.936 176.974 176.000 0.062 0.000 0.954 149 Q CA 1.120 56.955 55.803 0.054 0.000 0.851 149 Q CB 0.069 28.797 28.738 -0.017 0.000 0.928 149 Q HN 1.002 nan 8.270 nan 0.000 0.459 150 G N 0.554 109.413 108.800 0.099 0.000 2.632 150 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.224 150 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.224 150 G C -2.581 172.304 174.900 -0.025 0.000 1.341 150 G CA -0.460 44.648 45.100 0.013 0.000 0.880 150 G HN 0.312 nan 8.290 nan 0.000 0.566 151 P HA 0.208 nan 4.420 nan 0.000 0.265 151 P C -1.771 175.475 177.300 -0.090 0.000 1.187 151 P CA -0.376 62.679 63.100 -0.075 0.000 0.766 151 P CB 0.388 32.039 31.700 -0.082 0.000 0.820 152 P HA -0.156 nan 4.420 nan 0.000 0.218 152 P C 0.724 177.665 177.300 -0.599 0.000 1.149 152 P CA 1.791 64.730 63.100 -0.269 0.000 0.817 152 P CB 0.074 31.695 31.700 -0.132 0.000 0.785 153 H N -3.754 115.295 119.070 -0.035 0.000 1.955 153 H HA 0.340 4.895 4.556 -0.000 0.000 0.196 153 H C 1.093 176.409 175.328 -0.019 0.000 0.891 153 H CA 0.924 56.957 56.048 -0.024 0.000 1.001 153 H CB 0.268 30.017 29.762 -0.021 0.000 1.195 153 H HN 0.050 nan 8.280 nan 0.000 0.384 154 G N 1.140 110.001 108.800 0.102 0.000 2.707 154 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 154 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 154 G C 0.786 175.723 174.900 0.063 0.000 1.315 154 G CA -0.094 45.031 45.100 0.042 0.000 0.832 154 G HN 0.193 nan 8.290 nan 0.000 0.573 155 I N 0.162 120.754 120.570 0.038 0.000 2.113 155 I HA -0.318 3.852 4.170 -0.000 0.000 0.242 155 I C 2.919 179.074 176.117 0.064 0.000 1.064 155 I CA 2.543 63.872 61.300 0.047 0.000 1.320 155 I CB -0.305 37.713 38.000 0.030 0.000 1.028 155 I HN 0.780 nan 8.210 nan 0.000 0.406 156 Q N 1.140 120.980 119.800 0.067 0.000 2.030 156 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 156 Q C 2.384 178.441 176.000 0.095 0.000 0.986 156 Q CA 2.450 58.306 55.803 0.087 0.000 0.843 156 Q CB -0.100 28.683 28.738 0.074 0.000 0.904 156 Q HN 0.395 nan 8.270 nan 0.000 0.420 157 V N 1.385 121.352 119.914 0.089 0.000 2.407 157 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 157 V C 2.346 178.480 176.094 0.067 0.000 1.055 157 V CA 2.247 64.604 62.300 0.095 0.000 1.049 157 V CB -0.782 31.123 31.823 0.137 0.000 0.662 157 V HN 0.509 nan 8.190 nan 0.000 0.455 158 E N 0.265 120.502 120.200 0.062 0.000 2.077 158 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 158 E C 2.451 179.054 176.600 0.005 0.000 0.989 158 E CA 1.313 57.731 56.400 0.030 0.000 0.800 158 E CB -0.069 29.676 29.700 0.074 0.000 0.746 158 E HN 0.515 nan 8.360 nan 0.000 0.452 159 R N 0.285 120.783 120.500 -0.004 0.000 2.092 159 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 159 R C 1.937 178.114 176.300 -0.205 0.000 1.119 159 R CA 1.430 57.447 56.100 -0.139 0.000 0.970 159 R CB -0.095 30.157 30.300 -0.081 0.000 0.864 159 R HN 0.248 nan 8.270 nan 0.000 0.440 160 D N 0.474 120.884 120.400 0.017 0.000 2.144 160 D HA -0.119 4.520 4.640 -0.000 0.000 0.199 160 D C 1.642 177.962 176.300 0.034 0.000 0.984 160 D CA 1.238 55.300 54.000 0.102 0.000 0.834 160 D CB 0.053 40.938 40.800 0.140 0.000 0.955 160 D HN 0.188 nan 8.370 nan 0.000 0.465 161 K N 0.020 120.420 120.400 0.001 0.000 2.062 161 K HA 0.063 4.383 4.320 -0.000 0.000 0.205 161 K C 2.109 178.695 176.600 -0.023 0.000 1.051 161 K CA 0.467 56.748 56.287 -0.010 0.000 0.941 161 K CB 0.073 32.549 32.500 -0.039 0.000 0.719 161 K HN 0.155 nan 8.250 nan 0.000 0.440 162 L N 0.298 121.492 121.223 -0.050 0.000 2.492 162 L HA 0.024 4.364 4.340 -0.000 0.000 0.223 162 L C 0.474 177.275 176.870 -0.115 0.000 1.132 162 L CA 0.119 54.925 54.840 -0.056 0.000 0.850 162 L CB -0.441 41.599 42.059 -0.033 0.000 0.966 162 L HN 0.397 nan 8.230 nan 0.000 0.454 163 N N 1.182 119.770 118.700 -0.187 0.000 2.783 163 N HA -0.166 4.574 4.740 -0.000 0.000 0.247 163 N C -0.512 174.757 175.510 -0.402 0.000 1.089 163 N CA 0.356 53.272 53.050 -0.224 0.000 0.690 163 N CB -0.381 38.087 38.487 -0.033 0.000 0.991 163 N HN 0.354 nan 8.380 nan 0.000 0.552 164 K N 1.451 121.451 120.400 -0.667 0.000 2.450 164 K HA 0.418 4.738 4.320 -0.000 0.000 0.257 164 K C -1.408 174.807 176.600 -0.641 0.000 0.953 164 K CA -0.321 55.679 56.287 -0.478 0.000 0.844 164 K CB 1.058 33.400 32.500 -0.263 0.000 1.103 164 K HN 0.099 nan 8.250 nan 0.000 0.429 165 Y N -0.573 119.730 120.300 0.006 0.000 2.562 165 Y HA 0.427 4.977 4.550 0.000 0.000 0.345 165 Y C 1.020 176.926 175.900 0.010 0.000 1.045 165 Y CA -0.838 57.269 58.100 0.011 0.000 1.028 165 Y CB 2.489 40.956 38.460 0.012 0.000 1.297 165 Y HN 0.747 nan 8.280 nan 0.000 0.463 166 G N 1.488 110.400 108.800 0.187 0.000 2.143 166 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.249 166 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.249 166 G C -0.233 174.710 174.900 0.073 0.000 0.981 166 G CA 0.324 45.489 45.100 0.110 0.000 0.665 166 G HN 0.955 nan 8.290 nan 0.000 0.528 167 R N -2.232 118.305 120.500 0.061 0.000 2.753 167 R HA 0.570 4.910 4.340 -0.000 0.000 0.272 167 R C -3.502 172.818 176.300 0.034 0.000 1.034 167 R CA -1.619 54.508 56.100 0.046 0.000 0.869 167 R CB 0.088 30.410 30.300 0.037 0.000 1.264 167 R HN 0.037 nan 8.270 nan 0.000 0.481 168 P HA 0.132 nan 4.420 nan 0.000 0.271 168 P C -0.660 176.643 177.300 0.005 0.000 1.233 168 P CA -0.360 62.755 63.100 0.024 0.000 0.789 168 P CB 0.479 32.204 31.700 0.042 0.000 0.951 169 L N 1.159 122.378 121.223 -0.007 0.000 2.343 169 L HA 0.410 4.750 4.340 -0.000 0.000 0.275 169 L C 0.078 176.957 176.870 0.015 0.000 1.056 169 L CA -0.632 54.193 54.840 -0.025 0.000 0.804 169 L CB 0.410 42.486 42.059 0.028 0.000 1.203 169 L HN 0.164 nan 8.230 nan 0.000 0.440 170 L N 1.741 122.957 121.223 -0.013 0.000 2.307 170 L HA 0.735 5.075 4.340 -0.000 0.000 0.284 170 L C 0.331 177.253 176.870 0.087 0.000 1.023 170 L CA -0.261 54.622 54.840 0.071 0.000 0.810 170 L CB 1.748 43.842 42.059 0.058 0.000 1.231 170 L HN 0.712 nan 8.230 nan 0.000 0.423 171 G N 0.883 109.767 108.800 0.140 0.000 2.798 171 G HA2 0.624 4.584 3.960 -0.000 0.000 0.286 171 G HA3 0.624 4.584 3.960 -0.000 0.000 0.286 171 G C -1.975 172.962 174.900 0.061 0.000 1.389 171 G CA -0.480 44.692 45.100 0.120 0.000 0.894 171 G HN 0.703 nan 8.290 nan 0.000 0.488 172 C N -0.052 119.234 119.300 -0.024 0.000 2.931 172 C HA 0.735 5.195 4.460 -0.000 0.000 0.370 172 C C -0.259 174.694 174.990 -0.062 0.000 1.071 172 C CA -0.416 58.600 59.018 -0.003 0.000 1.266 172 C CB 0.627 28.383 27.740 0.028 0.000 1.691 172 C HN 0.812 nan 8.230 nan 0.000 0.511 173 T N 7.105 121.644 114.554 -0.025 0.000 2.771 173 T HA 0.411 4.761 4.350 -0.000 0.000 0.291 173 T C 0.436 175.129 174.700 -0.012 0.000 0.954 173 T CA -0.247 61.846 62.100 -0.012 0.000 1.045 173 T CB 0.328 69.223 68.868 0.044 0.000 0.917 173 T HN 0.580 nan 8.240 nan 0.000 0.484 174 I N 3.935 124.476 120.570 -0.047 0.000 2.692 174 I HA 0.233 4.402 4.170 -0.000 0.000 0.284 174 I C 0.701 176.784 176.117 -0.057 0.000 1.159 174 I CA 0.070 61.278 61.300 -0.154 0.000 1.423 174 I CB 0.004 37.676 38.000 -0.548 0.000 1.380 174 I HN 0.439 nan 8.210 nan 0.000 0.580 175 K N 6.029 126.400 120.400 -0.048 0.000 2.443 175 K HA 0.559 4.879 4.320 -0.000 0.000 0.251 175 K C -2.442 174.162 176.600 0.007 0.000 0.972 175 K CA -1.549 54.745 56.287 0.012 0.000 0.833 175 K CB 1.741 34.258 32.500 0.030 0.000 1.317 175 K HN 0.310 nan 8.250 nan 0.000 0.441 176 P HA 0.155 nan 4.420 nan 0.000 0.272 176 P C 0.292 177.624 177.300 0.053 0.000 1.230 176 P CA -0.186 62.929 63.100 0.024 0.000 0.788 176 P CB 0.929 32.626 31.700 -0.007 0.000 0.949 177 K N 0.216 120.645 120.400 0.048 0.000 2.015 177 K HA -0.112 4.208 4.320 -0.000 0.000 0.216 177 K C 0.779 177.444 176.600 0.108 0.000 1.052 177 K CA 1.371 57.707 56.287 0.081 0.000 0.937 177 K CB -0.348 32.180 32.500 0.047 0.000 0.719 177 K HN 0.408 nan 8.250 nan 0.000 0.446 178 L N -2.076 119.139 121.223 -0.013 0.000 2.323 178 L HA 0.423 4.763 4.340 -0.000 0.000 0.265 178 L C 0.819 177.365 176.870 -0.540 0.000 1.012 178 L CA -0.282 54.436 54.840 -0.203 0.000 0.820 178 L CB 2.205 44.171 42.059 -0.154 0.000 1.334 178 L HN 0.500 nan 8.230 nan 0.000 0.427 179 G N 1.029 109.058 108.800 -1.284 0.000 2.316 179 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.203 179 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.203 179 G C -0.075 174.662 174.900 -0.271 0.000 0.999 179 G CA -0.590 44.020 45.100 -0.817 0.000 0.649 179 G HN 0.317 nan 8.290 nan 0.000 0.489 180 L N 2.335 123.554 121.223 -0.007 0.000 2.436 180 L HA 0.545 4.885 4.340 -0.000 0.000 0.265 180 L C 1.531 178.578 176.870 0.294 0.000 1.168 180 L CA 0.139 55.086 54.840 0.178 0.000 0.815 180 L CB 1.313 43.553 42.059 0.302 0.000 1.109 180 L HN 0.516 nan 8.230 nan 0.000 0.462 181 S N 1.152 116.976 115.700 0.207 0.000 2.669 181 S HA 0.382 4.852 4.470 -0.000 0.000 0.270 181 S C 0.915 175.607 174.600 0.153 0.000 1.225 181 S CA -0.168 58.136 58.200 0.175 0.000 0.991 181 S CB 1.592 64.843 63.200 0.086 0.000 0.987 181 S HN 0.684 nan 8.310 nan 0.000 0.552 182 A N 1.001 123.883 122.820 0.103 0.000 1.902 182 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 182 A C 2.174 179.695 177.584 -0.105 0.000 1.181 182 A CA 1.580 53.689 52.037 0.121 0.000 0.623 182 A CB -0.883 18.281 19.000 0.274 0.000 0.818 182 A HN 0.886 nan 8.150 nan 0.000 0.443 183 K N -0.286 119.840 120.400 -0.457 0.000 2.097 183 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 183 K C 1.701 178.141 176.600 -0.266 0.000 1.050 183 K CA 1.532 57.348 56.287 -0.785 0.000 0.938 183 K CB -0.268 31.792 32.500 -0.733 0.000 0.718 183 K HN 0.655 nan 8.250 nan 0.000 0.442 184 N N -0.758 117.889 118.700 -0.087 0.000 2.244 184 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 184 N C 1.595 177.146 175.510 0.068 0.000 1.016 184 N CA 0.664 53.716 53.050 0.002 0.000 0.866 184 N CB -0.067 38.441 38.487 0.035 0.000 0.980 184 N HN 0.149 nan 8.380 nan 0.000 0.430 185 Y N 1.280 121.579 120.300 -0.001 0.000 2.145 185 Y HA -0.114 4.436 4.550 -0.000 0.000 0.286 185 Y C 2.500 178.410 175.900 0.017 0.000 1.145 185 Y CA 1.695 59.819 58.100 0.041 0.000 1.148 185 Y CB -0.661 37.851 38.460 0.087 0.000 0.981 185 Y HN 0.011 nan 8.280 nan 0.000 0.507 186 G N -0.540 108.360 108.800 0.167 0.000 2.432 186 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 186 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 186 G C 1.744 176.697 174.900 0.088 0.000 1.135 186 G CA 0.871 46.038 45.100 0.112 0.000 0.767 186 G HN 0.370 nan 8.290 nan 0.000 0.550 187 R N 0.535 121.067 120.500 0.053 0.000 2.075 187 R HA 0.110 4.449 4.340 -0.000 0.000 0.232 187 R C 2.721 179.065 176.300 0.074 0.000 1.126 187 R CA 1.458 57.609 56.100 0.084 0.000 0.963 187 R CB -0.399 29.922 30.300 0.036 0.000 0.858 187 R HN 0.233 nan 8.270 nan 0.000 0.435 188 A N 0.397 123.219 122.820 0.003 0.000 1.969 188 A HA -0.029 4.291 4.320 -0.000 0.000 0.218 188 A C 2.197 179.756 177.584 -0.043 0.000 1.169 188 A CA 1.199 53.210 52.037 -0.043 0.000 0.635 188 A CB -0.255 18.677 19.000 -0.112 0.000 0.810 188 A HN 0.231 nan 8.150 nan 0.000 0.445 189 V N -1.253 118.651 119.914 -0.017 0.000 2.323 189 V HA -0.234 3.886 4.120 -0.000 0.000 0.244 189 V C 2.349 178.478 176.094 0.058 0.000 1.041 189 V CA 1.981 64.294 62.300 0.022 0.000 1.025 189 V CB -0.954 30.872 31.823 0.006 0.000 0.656 189 V HN 0.750 nan 8.190 nan 0.000 0.451 190 Y N 1.561 121.860 120.300 -0.002 0.000 2.145 190 Y HA -0.208 4.342 4.550 -0.000 0.000 0.286 190 Y C 2.520 178.424 175.900 0.007 0.000 1.145 190 Y CA 1.861 59.967 58.100 0.010 0.000 1.148 190 Y CB -0.339 38.133 38.460 0.020 0.000 0.981 190 Y HN 0.283 nan 8.280 nan 0.000 0.507 191 E N -0.416 119.564 120.200 -0.367 0.000 2.077 191 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 191 E C 2.467 178.914 176.600 -0.256 0.000 0.989 191 E CA 1.472 57.626 56.400 -0.409 0.000 0.800 191 E CB -0.888 28.701 29.700 -0.184 0.000 0.746 191 E HN 0.560 nan 8.360 nan 0.000 0.452 192 C N 0.828 120.041 119.300 -0.145 0.000 2.446 192 C HA -0.047 4.413 4.460 -0.000 0.000 0.277 192 C C 2.875 177.808 174.990 -0.095 0.000 1.275 192 C CA 0.260 59.221 59.018 -0.095 0.000 1.727 192 C CB -1.138 26.574 27.740 -0.047 0.000 2.010 192 C HN 0.350 nan 8.230 nan 0.000 0.486 193 L N 1.318 122.491 121.223 -0.083 0.000 2.046 193 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 193 L C 2.905 179.727 176.870 -0.081 0.000 1.077 193 L CA 1.758 56.566 54.840 -0.053 0.000 0.747 193 L CB -0.741 41.323 42.059 0.009 0.000 0.896 193 L HN 0.479 nan 8.230 nan 0.000 0.432 194 R N 0.509 120.910 120.500 -0.164 0.000 2.285 194 R HA -0.048 4.292 4.340 -0.000 0.000 0.213 194 R C 1.804 178.042 176.300 -0.104 0.000 1.068 194 R CA 1.157 57.175 56.100 -0.138 0.000 1.004 194 R CB -0.580 29.563 30.300 -0.261 0.000 0.873 194 R HN 0.247 nan 8.270 nan 0.000 0.467 195 G N -0.448 108.284 108.800 -0.114 0.000 2.985 195 G HA2 0.254 4.214 3.960 -0.000 0.000 0.209 195 G HA3 0.254 4.214 3.960 -0.000 0.000 0.209 195 G C 0.886 175.748 174.900 -0.064 0.000 1.165 195 G CA 0.233 45.281 45.100 -0.087 0.000 0.776 195 G HN 0.568 nan 8.290 nan 0.000 0.541 196 G N -0.785 107.980 108.800 -0.059 0.000 2.227 196 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.168 196 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.168 196 G C 0.284 175.147 174.900 -0.061 0.000 1.006 196 G CA -0.270 44.799 45.100 -0.051 0.000 0.684 196 G HN 0.338 nan 8.290 nan 0.000 0.489 197 L N 1.246 122.432 121.223 -0.062 0.000 2.395 197 L HA 0.375 4.715 4.340 -0.000 0.000 0.269 197 L C 1.078 177.880 176.870 -0.113 0.000 1.133 197 L CA -0.672 54.132 54.840 -0.061 0.000 0.812 197 L CB 0.633 42.676 42.059 -0.027 0.000 1.125 197 L HN 0.005 nan 8.230 nan 0.000 0.452 198 D N 1.306 121.578 120.400 -0.213 0.000 2.183 198 D HA 0.041 4.681 4.640 -0.000 0.000 0.205 198 D C -0.143 175.890 176.300 -0.445 0.000 0.962 198 D CA 1.498 55.231 54.000 -0.444 0.000 0.849 198 D CB 0.319 40.643 40.800 -0.794 0.000 0.978 198 D HN 0.137 nan 8.370 nan 0.000 0.488 199 F N -0.055 119.879 119.950 -0.027 0.000 2.588 199 F HA 0.348 4.874 4.527 -0.000 0.000 0.314 199 F C 0.480 176.149 175.800 -0.218 0.000 1.069 199 F CA -1.118 56.818 58.000 -0.107 0.000 0.931 199 F CB 1.721 40.650 39.000 -0.119 0.000 1.260 199 F HN -0.359 nan 8.300 nan 0.000 0.465 200 T N -1.086 113.412 114.554 -0.093 0.000 2.916 200 T HA 0.867 5.217 4.350 -0.000 0.000 0.292 200 T C -1.140 173.154 174.700 -0.676 0.000 1.064 200 T CA -1.045 60.945 62.100 -0.184 0.000 1.011 200 T CB 2.699 71.624 68.868 0.095 0.000 1.152 200 T HN 0.793 nan 8.240 nan 0.000 0.510 201 K N -0.101 119.945 120.400 -0.589 0.000 2.556 201 K HA 0.595 4.914 4.320 -0.000 0.000 0.274 201 K C -1.847 174.658 176.600 -0.157 0.000 0.966 201 K CA -0.980 54.864 56.287 -0.739 0.000 0.865 201 K CB 1.377 33.399 32.500 -0.798 0.000 1.444 201 K HN 0.354 nan 8.250 nan 0.000 0.433 202 D N 1.259 121.664 120.400 0.008 0.000 2.362 202 D HA 0.105 4.745 4.640 -0.000 0.000 0.242 202 D C -0.510 175.918 176.300 0.213 0.000 1.132 202 D CA 0.277 54.458 54.000 0.302 0.000 0.907 202 D CB 0.851 41.798 40.800 0.245 0.000 1.195 202 D HN 0.428 nan 8.370 nan 0.000 0.429 203 D N 0.365 120.904 120.400 0.232 0.000 2.358 203 D HA -0.048 4.592 4.640 -0.000 0.000 0.244 203 D C 1.386 177.693 176.300 0.012 0.000 1.163 203 D CA -0.262 53.810 54.000 0.121 0.000 0.945 203 D CB 0.813 41.682 40.800 0.115 0.000 1.152 203 D HN 0.378 nan 8.370 nan 0.000 0.451 204 E N 1.466 121.529 120.200 -0.227 0.000 2.209 204 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 204 E C 0.549 177.057 176.600 -0.153 0.000 0.993 204 E CA 1.089 57.256 56.400 -0.388 0.000 0.819 204 E CB -0.372 28.839 29.700 -0.814 0.000 0.745 204 E HN 0.475 nan 8.360 nan 0.000 0.477 205 N N 0.876 119.537 118.700 -0.066 0.000 2.280 205 N HA 0.023 4.763 4.740 -0.000 0.000 0.192 205 N C -0.002 175.547 175.510 0.065 0.000 1.109 205 N CA -0.131 52.916 53.050 -0.005 0.000 0.855 205 N CB 0.266 38.755 38.487 0.004 0.000 0.974 205 N HN -0.064 nan 8.380 nan 0.000 0.482 206 V N 1.848 121.818 119.914 0.092 0.000 2.372 206 V HA 0.194 4.314 4.120 -0.000 0.000 0.261 206 V C 0.265 176.415 176.094 0.093 0.000 1.055 206 V CA -0.202 62.174 62.300 0.126 0.000 0.930 206 V CB -0.325 31.585 31.823 0.144 0.000 1.031 206 V HN 0.300 nan 8.190 nan 0.000 0.479 207 N N 2.583 121.320 118.700 0.061 0.000 2.871 207 N HA 0.253 4.992 4.740 -0.000 0.000 0.204 207 N C -0.177 175.371 175.510 0.063 0.000 1.233 207 N CA -0.337 52.747 53.050 0.057 0.000 1.124 207 N CB 0.565 39.059 38.487 0.010 0.000 1.414 207 N HN 0.498 nan 8.380 nan 0.000 0.511 208 S N 0.175 115.880 115.700 0.008 0.000 2.677 208 S HA 0.446 4.915 4.470 -0.000 0.000 0.283 208 S C -1.814 172.709 174.600 -0.129 0.000 1.159 208 S CA -0.417 57.787 58.200 0.006 0.000 1.001 208 S CB 1.146 64.450 63.200 0.173 0.000 1.032 208 S HN 0.256 nan 8.310 nan 0.000 0.487 209 Q N 3.299 122.901 119.800 -0.330 0.000 2.501 209 Q HA 0.465 4.805 4.340 -0.000 0.000 0.288 209 Q C -2.122 173.605 176.000 -0.456 0.000 1.051 209 Q CA -1.806 53.739 55.803 -0.429 0.000 0.788 209 Q CB 1.607 29.934 28.738 -0.684 0.000 1.469 209 Q HN 0.249 nan 8.270 nan 0.000 0.416 210 P HA -0.217 nan 4.420 nan 0.000 0.217 210 P C 0.595 177.839 177.300 -0.093 0.000 1.151 210 P CA 1.528 64.562 63.100 -0.111 0.000 0.849 210 P CB 0.027 31.734 31.700 0.012 0.000 0.787 211 F N -2.542 117.419 119.950 0.018 0.000 2.407 211 F HA 0.234 4.760 4.527 -0.000 0.000 0.299 211 F C 1.030 176.843 175.800 0.021 0.000 1.097 211 F CA 0.180 58.192 58.000 0.021 0.000 1.422 211 F CB -0.616 38.401 39.000 0.029 0.000 1.067 211 F HN -0.170 nan 8.300 nan 0.000 0.539 212 M N 1.225 120.594 119.600 -0.385 0.000 2.310 212 M HA 0.353 4.833 4.480 -0.000 0.000 0.242 212 M C -1.479 174.671 176.300 -0.250 0.000 1.000 212 M CA -0.540 54.654 55.300 -0.177 0.000 0.970 212 M CB 1.176 33.765 32.600 -0.018 0.000 2.191 212 M HN -0.192 nan 8.290 nan 0.000 0.470 213 R N 3.855 124.263 120.500 -0.153 0.000 2.459 213 R HA 0.253 4.593 4.340 -0.000 0.000 0.281 213 R C 1.091 177.309 176.300 -0.137 0.000 1.050 213 R CA -0.185 55.819 56.100 -0.161 0.000 1.055 213 R CB 0.683 30.859 30.300 -0.206 0.000 1.045 213 R HN 0.975 nan 8.270 nan 0.000 0.495 214 W N 4.436 125.637 121.300 -0.164 0.000 2.318 214 W HA -0.226 4.434 4.660 -0.000 0.000 0.313 214 W C 1.165 177.523 176.519 -0.268 0.000 1.221 214 W CA 0.954 58.180 57.345 -0.199 0.000 1.266 214 W CB -0.547 28.724 29.460 -0.316 0.000 1.150 214 W HN 0.587 nan 8.180 nan 0.000 0.496 215 R N 0.969 120.641 120.500 -1.379 0.000 2.120 215 R HA -0.149 4.190 4.340 -0.000 0.000 0.234 215 R C 1.880 177.947 176.300 -0.388 0.000 1.123 215 R CA 2.073 57.453 56.100 -1.200 0.000 0.975 215 R CB -0.385 28.935 30.300 -1.634 0.000 0.866 215 R HN 0.035 nan 8.270 nan 0.000 0.446 216 D N -0.312 119.924 120.400 -0.273 0.000 2.144 216 D HA -0.160 4.480 4.640 -0.000 0.000 0.200 216 D C 1.841 178.244 176.300 0.171 0.000 0.978 216 D CA 0.883 54.855 54.000 -0.047 0.000 0.833 216 D CB -0.124 40.700 40.800 0.040 0.000 0.961 216 D HN 0.255 nan 8.370 nan 0.000 0.470 217 R N -0.164 120.452 120.500 0.193 0.000 2.062 217 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 217 R C 2.224 178.769 176.300 0.409 0.000 1.136 217 R CA 1.004 57.281 56.100 0.296 0.000 0.948 217 R CB -0.322 30.109 30.300 0.218 0.000 0.845 217 R HN -0.005 nan 8.270 nan 0.000 0.430 218 F N 1.115 121.182 119.950 0.195 0.000 2.120 218 F HA -0.220 4.307 4.527 0.000 0.000 0.300 218 F C 2.239 178.120 175.800 0.136 0.000 1.095 218 F CA 1.179 59.314 58.000 0.225 0.000 1.249 218 F CB -0.888 38.369 39.000 0.429 0.000 0.995 218 F HN 0.102 nan 8.300 nan 0.000 0.480 219 L N -1.477 119.949 121.223 0.338 0.000 2.017 219 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 219 L C 2.305 179.175 176.870 0.001 0.000 1.073 219 L CA 1.485 56.393 54.840 0.114 0.000 0.745 219 L CB -0.544 41.501 42.059 -0.024 0.000 0.894 219 L HN -0.046 nan 8.230 nan 0.000 0.432 220 F N -1.056 118.962 119.950 0.112 0.000 2.186 220 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 220 F C 2.567 178.388 175.800 0.036 0.000 1.090 220 F CA 1.100 59.143 58.000 0.073 0.000 1.307 220 F CB -1.069 37.977 39.000 0.077 0.000 1.019 220 F HN 0.177 nan 8.300 nan 0.000 0.489 221 C N -0.423 118.982 119.300 0.175 0.000 2.435 221 C HA -0.028 4.432 4.460 -0.000 0.000 0.279 221 C C 3.071 178.023 174.990 -0.063 0.000 1.321 221 C CA 0.846 59.842 59.018 -0.036 0.000 1.752 221 C CB -1.555 26.019 27.740 -0.277 0.000 1.959 221 C HN 0.486 nan 8.230 nan 0.000 0.500 222 A N 0.338 123.140 122.820 -0.030 0.000 1.898 222 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 222 A C 2.162 179.735 177.584 -0.018 0.000 1.181 222 A CA 1.754 53.722 52.037 -0.116 0.000 0.620 222 A CB -0.626 18.365 19.000 -0.015 0.000 0.819 222 A HN 0.690 nan 8.150 nan 0.000 0.442 223 E N -0.027 120.235 120.200 0.104 0.000 2.051 223 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 223 E C 2.162 178.825 176.600 0.105 0.000 0.991 223 E CA 1.085 57.575 56.400 0.150 0.000 0.799 223 E CB -0.251 29.534 29.700 0.141 0.000 0.748 223 E HN 0.518 nan 8.360 nan 0.000 0.449 224 A N 1.334 124.206 122.820 0.087 0.000 1.877 224 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 224 A C 2.229 179.879 177.584 0.110 0.000 1.186 224 A CA 1.698 53.795 52.037 0.100 0.000 0.620 224 A CB -0.815 18.265 19.000 0.135 0.000 0.822 224 A HN 0.418 nan 8.150 nan 0.000 0.443 225 L N -2.788 118.436 121.223 0.002 0.000 2.083 225 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 225 L C 2.184 179.047 176.870 -0.013 0.000 1.083 225 L CA 1.916 56.736 54.840 -0.035 0.000 0.752 225 L CB -1.256 40.721 42.059 -0.137 0.000 0.899 225 L HN 0.279 nan 8.230 nan 0.000 0.433 226 Y N 0.536 120.878 120.300 0.070 0.000 2.352 226 Y HA -0.094 4.456 4.550 -0.000 0.000 0.292 226 Y C 2.736 178.666 175.900 0.049 0.000 1.136 226 Y CA 1.398 59.527 58.100 0.049 0.000 1.227 226 Y CB -0.587 37.889 38.460 0.027 0.000 0.991 226 Y HN 0.353 nan 8.280 nan 0.000 0.545 227 K N 0.017 120.526 120.400 0.181 0.000 2.031 227 K HA -0.079 4.241 4.320 -0.000 0.000 0.205 227 K C 2.307 179.029 176.600 0.202 0.000 1.049 227 K CA 1.001 57.345 56.287 0.095 0.000 0.939 227 K CB -0.195 32.225 32.500 -0.133 0.000 0.717 227 K HN 0.181 nan 8.250 nan 0.000 0.438 228 A N 1.112 124.118 122.820 0.310 0.000 1.933 228 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 228 A C 2.057 179.735 177.584 0.158 0.000 1.175 228 A CA 1.594 53.802 52.037 0.285 0.000 0.628 228 A CB -0.568 18.560 19.000 0.214 0.000 0.814 228 A HN 0.545 nan 8.150 nan 0.000 0.444 229 Q N -0.653 119.234 119.800 0.144 0.000 2.119 229 Q HA -0.087 4.252 4.340 -0.000 0.000 0.201 229 Q C 2.125 178.188 176.000 0.105 0.000 0.972 229 Q CA 1.393 57.266 55.803 0.116 0.000 0.847 229 Q CB -0.302 28.523 28.738 0.146 0.000 0.903 229 Q HN 0.617 nan 8.270 nan 0.000 0.433 230 A N 0.519 123.409 122.820 0.117 0.000 1.968 230 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 230 A C 1.829 179.459 177.584 0.077 0.000 1.169 230 A CA 1.437 53.525 52.037 0.085 0.000 0.638 230 A CB -0.472 18.573 19.000 0.075 0.000 0.812 230 A HN 0.583 nan 8.150 nan 0.000 0.446 231 E N -0.280 119.980 120.200 0.101 0.000 2.072 231 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 231 E C 1.995 178.635 176.600 0.067 0.000 0.982 231 E CA 1.702 58.159 56.400 0.095 0.000 0.803 231 E CB -0.026 29.762 29.700 0.148 0.000 0.755 231 E HN 0.713 nan 8.360 nan 0.000 0.453 232 T N -3.980 110.611 114.554 0.061 0.000 3.044 232 T HA 0.253 4.603 4.350 -0.000 0.000 0.255 232 T C 1.556 176.274 174.700 0.030 0.000 1.073 232 T CA 0.635 62.758 62.100 0.037 0.000 1.125 232 T CB 0.553 69.436 68.868 0.024 0.000 0.908 232 T HN 0.318 nan 8.240 nan 0.000 0.480 233 G N 1.176 109.997 108.800 0.036 0.000 2.157 233 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.248 233 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.248 233 G C -0.280 174.633 174.900 0.021 0.000 0.979 233 G CA 0.089 45.207 45.100 0.029 0.000 0.650 233 G HN 0.665 nan 8.290 nan 0.000 0.529 234 E N -0.392 119.817 120.200 0.015 0.000 2.212 234 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 234 E C 0.276 176.875 176.600 -0.001 0.000 0.902 234 E CA -1.071 55.326 56.400 -0.005 0.000 0.779 234 E CB 1.822 31.506 29.700 -0.026 0.000 1.172 234 E HN 0.285 nan 8.360 nan 0.000 0.409 235 I N 3.268 123.832 120.570 -0.011 0.000 2.618 235 I HA -0.023 4.147 4.170 -0.000 0.000 0.284 235 I C 0.416 176.522 176.117 -0.019 0.000 1.146 235 I CA 0.502 61.805 61.300 0.005 0.000 1.425 235 I CB 0.093 38.096 38.000 0.004 0.000 1.383 235 I HN 0.176 nan 8.210 nan 0.000 0.562 236 K N 4.580 124.993 120.400 0.021 0.000 2.295 236 K HA 0.793 5.113 4.320 -0.000 0.000 0.239 236 K C -0.224 176.437 176.600 0.101 0.000 0.991 236 K CA -0.734 55.566 56.287 0.021 0.000 0.845 236 K CB 2.162 34.682 32.500 0.033 0.000 1.197 236 K HN 0.764 nan 8.250 nan 0.000 0.441 237 G N 0.153 109.084 108.800 0.219 0.000 2.690 237 G HA2 0.373 4.333 3.960 -0.000 0.000 0.293 237 G HA3 0.373 4.333 3.960 -0.000 0.000 0.293 237 G C -1.892 173.190 174.900 0.302 0.000 1.399 237 G CA -0.279 45.009 45.100 0.313 0.000 0.890 237 G HN 0.559 nan 8.290 nan 0.000 0.485 238 H N 0.989 120.117 119.070 0.096 0.000 2.924 238 H HA 0.337 4.893 4.556 -0.000 0.000 0.333 238 H C -1.087 174.263 175.328 0.037 0.000 0.979 238 H CA -0.559 55.491 56.048 0.002 0.000 1.326 238 H CB 1.219 30.968 29.762 -0.021 0.000 1.600 238 H HN 0.355 nan 8.280 nan 0.000 0.520 239 Y N 5.358 125.347 120.300 -0.518 0.000 2.605 239 Y HA 0.109 4.659 4.550 -0.000 0.000 0.336 239 Y C 0.583 176.328 175.900 -0.259 0.000 1.111 239 Y CA -0.595 57.285 58.100 -0.366 0.000 1.422 239 Y CB -0.263 37.962 38.460 -0.391 0.000 1.193 239 Y HN 0.364 nan 8.280 nan 0.000 0.526 240 L N 4.179 125.373 121.223 -0.047 0.000 2.265 240 L HA 0.274 4.614 4.340 -0.000 0.000 0.288 240 L C 0.568 177.409 176.870 -0.048 0.000 1.058 240 L CA -0.221 54.477 54.840 -0.237 0.000 0.809 240 L CB 0.627 42.169 42.059 -0.863 0.000 1.179 240 L HN 0.631 nan 8.230 nan 0.000 0.429 241 N N 1.852 120.627 118.700 0.124 0.000 2.442 241 N HA 0.216 4.956 4.740 -0.000 0.000 0.265 241 N C 0.530 176.196 175.510 0.259 0.000 1.138 241 N CA -0.075 53.093 53.050 0.198 0.000 0.956 241 N CB 1.120 39.721 38.487 0.191 0.000 1.067 241 N HN 0.789 nan 8.380 nan 0.000 0.474 242 A N 2.723 125.653 122.820 0.182 0.000 2.348 242 A HA 0.098 4.418 4.320 -0.000 0.000 0.224 242 A C 0.621 178.243 177.584 0.064 0.000 1.227 242 A CA -0.103 51.994 52.037 0.099 0.000 0.885 242 A CB 0.074 19.104 19.000 0.049 0.000 0.933 242 A HN 0.600 nan 8.150 nan 0.000 0.506 243 T N 1.715 116.354 114.554 0.142 0.000 2.933 243 T HA 0.445 4.794 4.350 -0.000 0.000 0.306 243 T C 0.278 174.985 174.700 0.011 0.000 1.045 243 T CA 0.950 63.125 62.100 0.126 0.000 1.143 243 T CB 0.735 69.614 68.868 0.019 0.000 1.003 243 T HN 0.809 nan 8.240 nan 0.000 0.540 244 A N 2.205 125.023 122.820 -0.002 0.000 2.515 244 A HA 0.802 5.122 4.320 -0.000 0.000 0.299 244 A C 1.266 178.825 177.584 -0.042 0.000 1.179 244 A CA -0.249 51.751 52.037 -0.061 0.000 0.656 244 A CB 0.382 19.302 19.000 -0.133 0.000 1.306 244 A HN 0.762 nan 8.150 nan 0.000 0.459 245 G N -0.886 107.882 108.800 -0.053 0.000 2.464 245 G HA2 0.366 4.326 3.960 -0.000 0.000 0.217 245 G HA3 0.366 4.326 3.960 -0.000 0.000 0.217 245 G C 0.657 175.535 174.900 -0.035 0.000 1.138 245 G CA 1.777 46.853 45.100 -0.039 0.000 0.793 245 G HN 1.577 nan 8.290 nan 0.000 0.539 246 T N -3.962 110.564 114.554 -0.046 0.000 2.901 246 T HA 0.310 4.660 4.350 -0.000 0.000 0.293 246 T C 0.896 175.563 174.700 -0.056 0.000 1.084 246 T CA -0.320 61.754 62.100 -0.043 0.000 1.008 246 T CB 1.435 70.277 68.868 -0.043 0.000 1.170 246 T HN -0.079 nan 8.240 nan 0.000 0.509 247 C N 0.519 119.789 119.300 -0.051 0.000 2.425 247 C HA -0.011 4.448 4.460 -0.000 0.000 0.277 247 C C 2.631 177.567 174.990 -0.090 0.000 1.280 247 C CA 0.779 59.757 59.018 -0.068 0.000 1.744 247 C CB -1.356 26.352 27.740 -0.054 0.000 1.989 247 C HN 1.017 nan 8.230 nan 0.000 0.491 248 E N 1.278 121.433 120.200 -0.075 0.000 2.051 248 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 248 E C 1.712 178.245 176.600 -0.112 0.000 0.991 248 E CA 1.385 57.737 56.400 -0.080 0.000 0.799 248 E CB -0.289 29.379 29.700 -0.054 0.000 0.748 248 E HN 0.546 nan 8.360 nan 0.000 0.449 249 D N -0.191 120.137 120.400 -0.121 0.000 2.144 249 D HA -0.125 4.515 4.640 -0.000 0.000 0.200 249 D C 1.855 177.997 176.300 -0.263 0.000 0.978 249 D CA 0.727 54.619 54.000 -0.181 0.000 0.833 249 D CB -0.186 40.518 40.800 -0.161 0.000 0.961 249 D HN 0.172 nan 8.370 nan 0.000 0.470 250 M N -0.216 119.262 119.600 -0.203 0.000 2.117 250 M HA -0.176 4.304 4.480 -0.000 0.000 0.262 250 M C 1.747 177.893 176.300 -0.256 0.000 1.065 250 M CA 1.252 56.425 55.300 -0.211 0.000 1.114 250 M CB 0.044 32.553 32.600 -0.152 0.000 1.361 250 M HN -0.106 nan 8.290 nan 0.000 0.408 251 M N 0.273 119.726 119.600 -0.244 0.000 2.229 251 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 251 M C 1.938 178.076 176.300 -0.271 0.000 1.063 251 M CA 1.502 56.621 55.300 -0.302 0.000 1.114 251 M CB -1.201 31.253 32.600 -0.243 0.000 1.387 251 M HN 0.303 nan 8.290 nan 0.000 0.420 252 K N 0.073 120.337 120.400 -0.226 0.000 2.063 252 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 252 K C 2.115 178.575 176.600 -0.232 0.000 1.048 252 K CA 1.284 57.469 56.287 -0.169 0.000 0.928 252 K CB -0.116 32.286 32.500 -0.164 0.000 0.713 252 K HN 0.403 nan 8.250 nan 0.000 0.442 253 R N 0.051 120.244 120.500 -0.512 0.000 2.073 253 R HA -0.026 4.314 4.340 -0.000 0.000 0.229 253 R C 2.383 178.705 176.300 0.036 0.000 1.120 253 R CA 1.033 56.794 56.100 -0.564 0.000 0.967 253 R CB -0.292 29.550 30.300 -0.764 0.000 0.862 253 R HN 0.137 nan 8.270 nan 0.000 0.436 254 A N 0.937 123.714 122.820 -0.072 0.000 1.902 254 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 254 A C 2.352 179.982 177.584 0.076 0.000 1.181 254 A CA 1.284 53.308 52.037 -0.021 0.000 0.623 254 A CB -0.517 18.307 19.000 -0.292 0.000 0.818 254 A HN 0.102 nan 8.150 nan 0.000 0.443 255 V N -1.300 118.614 119.914 -0.001 0.000 2.407 255 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 255 V C 2.266 178.545 176.094 0.309 0.000 1.055 255 V CA 2.071 64.467 62.300 0.160 0.000 1.049 255 V CB -0.887 30.997 31.823 0.101 0.000 0.662 255 V HN 0.617 nan 8.190 nan 0.000 0.455 256 F N 1.350 121.428 119.950 0.215 0.000 2.259 256 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 256 F C 2.233 178.235 175.800 0.337 0.000 1.088 256 F CA 0.778 58.955 58.000 0.295 0.000 1.358 256 F CB -0.605 38.644 39.000 0.415 0.000 1.040 256 F HN 0.081 nan 8.300 nan 0.000 0.505 257 A N 0.500 123.514 122.820 0.323 0.000 1.933 257 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 257 A C 2.456 180.089 177.584 0.081 0.000 1.175 257 A CA 1.355 53.481 52.037 0.150 0.000 0.628 257 A CB -0.702 18.396 19.000 0.164 0.000 0.814 257 A HN 0.284 nan 8.150 nan 0.000 0.444 258 R N 0.067 120.661 120.500 0.156 0.000 2.081 258 R HA -0.141 4.199 4.340 -0.000 0.000 0.235 258 R C 2.054 178.406 176.300 0.087 0.000 1.131 258 R CA 1.840 58.024 56.100 0.140 0.000 0.960 258 R CB -0.461 29.971 30.300 0.221 0.000 0.856 258 R HN 0.781 nan 8.270 nan 0.000 0.436 259 E N 0.205 120.456 120.200 0.084 0.000 2.204 259 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 259 E C 1.873 178.455 176.600 -0.030 0.000 0.989 259 E CA 0.706 57.139 56.400 0.056 0.000 0.824 259 E CB 0.025 29.813 29.700 0.147 0.000 0.756 259 E HN 0.332 nan 8.360 nan 0.000 0.477 260 L N -0.687 120.456 121.223 -0.133 0.000 2.418 260 L HA 0.136 4.476 4.340 -0.000 0.000 0.218 260 L C 1.559 178.470 176.870 0.069 0.000 1.125 260 L CA 0.529 55.311 54.840 -0.097 0.000 0.835 260 L CB 0.086 42.014 42.059 -0.219 0.000 0.953 260 L HN 0.411 nan 8.230 nan 0.000 0.454 261 G N 0.659 109.495 108.800 0.060 0.000 2.143 261 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 261 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 261 G C 0.372 175.350 174.900 0.131 0.000 0.991 261 G CA 0.229 45.392 45.100 0.105 0.000 0.689 261 G HN 0.246 nan 8.290 nan 0.000 0.522 262 V N -1.918 118.036 119.914 0.067 0.000 2.881 262 V HA 0.692 4.812 4.120 -0.000 0.000 0.303 262 V C 0.009 176.115 176.094 0.020 0.000 1.070 262 V CA -0.766 61.541 62.300 0.013 0.000 1.074 262 V CB 1.232 33.019 31.823 -0.061 0.000 1.012 262 V HN 0.100 nan 8.190 nan 0.000 0.482 263 P HA 0.295 nan 4.420 nan 0.000 0.245 263 P C 0.062 177.337 177.300 -0.041 0.000 1.203 263 P CA 0.584 63.685 63.100 0.003 0.000 0.792 263 P CB 0.581 32.303 31.700 0.036 0.000 0.997 264 I N 0.239 120.782 120.570 -0.044 0.000 2.692 264 I HA 0.332 4.502 4.170 -0.000 0.000 0.293 264 I C -0.969 175.088 176.117 -0.100 0.000 1.200 264 I CA -1.289 59.936 61.300 -0.124 0.000 1.036 264 I CB 2.548 40.403 38.000 -0.240 0.000 1.258 264 I HN -0.288 nan 8.210 nan 0.000 0.421 265 V N 4.242 124.090 119.914 -0.109 0.000 3.204 265 V HA 0.729 4.849 4.120 -0.000 0.000 0.316 265 V C -0.673 175.380 176.094 -0.067 0.000 1.160 265 V CA -0.754 61.514 62.300 -0.053 0.000 1.044 265 V CB 1.922 33.753 31.823 0.014 0.000 1.136 265 V HN 0.917 nan 8.190 nan 0.000 0.455 266 M N 1.324 120.944 119.600 0.032 0.000 2.531 266 M HA 0.702 5.182 4.480 -0.000 0.000 0.286 266 M C -1.973 174.441 176.300 0.189 0.000 1.232 266 M CA -0.399 54.962 55.300 0.103 0.000 0.877 266 M CB 2.237 34.952 32.600 0.191 0.000 1.726 266 M HN 1.177 nan 8.290 nan 0.000 0.463 267 H N 0.963 120.067 119.070 0.057 0.000 2.974 267 H HA 0.442 4.998 4.556 -0.000 0.000 0.366 267 H C -1.929 173.451 175.328 0.087 0.000 1.155 267 H CA -0.471 55.607 56.048 0.050 0.000 1.186 267 H CB 1.720 31.490 29.762 0.013 0.000 1.799 267 H HN 0.630 nan 8.280 nan 0.000 0.541 268 D N 4.540 124.668 120.400 -0.453 0.000 2.479 268 D HA 0.012 4.652 4.640 -0.000 0.000 0.218 268 D C 0.722 176.725 176.300 -0.494 0.000 1.131 268 D CA -0.189 53.634 54.000 -0.295 0.000 0.916 268 D CB -0.031 40.623 40.800 -0.245 0.000 1.022 268 D HN 0.601 nan 8.370 nan 0.000 0.515 269 Y N 1.321 121.383 120.300 -0.397 0.000 2.333 269 Y HA -0.091 4.459 4.550 -0.000 0.000 0.290 269 Y C 1.212 176.879 175.900 -0.390 0.000 1.144 269 Y CA 1.040 58.957 58.100 -0.304 0.000 1.228 269 Y CB -0.397 37.986 38.460 -0.128 0.000 0.985 269 Y HN 0.260 nan 8.280 nan 0.000 0.542 270 L N 0.207 121.004 121.223 -0.711 0.000 2.202 270 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 270 L C 2.533 179.169 176.870 -0.390 0.000 1.083 270 L CA 1.340 55.757 54.840 -0.704 0.000 0.790 270 L CB -0.637 41.033 42.059 -0.649 0.000 0.942 270 L HN 0.400 nan 8.230 nan 0.000 0.452 271 T N -3.545 110.831 114.554 -0.295 0.000 2.978 271 T HA 0.013 4.363 4.350 -0.000 0.000 0.262 271 T C 1.856 176.449 174.700 -0.179 0.000 1.063 271 T CA 0.779 62.757 62.100 -0.203 0.000 1.140 271 T CB -0.379 68.390 68.868 -0.166 0.000 0.886 271 T HN 0.299 nan 8.240 nan 0.000 0.470 272 G N 1.460 110.123 108.800 -0.228 0.000 2.404 272 G HA2 0.444 4.404 3.960 -0.000 0.000 0.214 272 G HA3 0.444 4.404 3.960 -0.000 0.000 0.214 272 G C 0.814 175.686 174.900 -0.046 0.000 1.189 272 G CA 0.279 45.312 45.100 -0.111 0.000 0.789 272 G HN 1.206 nan 8.290 nan 0.000 0.533 273 G N -2.169 106.561 108.800 -0.116 0.000 2.428 273 G HA2 0.078 4.037 3.960 -0.000 0.000 0.681 273 G HA3 0.078 4.037 3.960 -0.000 0.000 0.681 273 G C 0.029 174.883 174.900 -0.076 0.000 1.340 273 G CA -0.210 44.810 45.100 -0.133 0.000 0.915 273 G HN 0.054 nan 8.290 nan 0.000 0.645 274 F N 0.486 120.495 119.950 0.098 0.000 2.186 274 F HA 0.043 4.570 4.527 -0.000 0.000 0.299 274 F C 3.098 178.936 175.800 0.064 0.000 1.090 274 F CA 2.190 60.257 58.000 0.112 0.000 1.307 274 F CB -0.585 38.469 39.000 0.091 0.000 1.019 274 F HN 0.534 nan 8.300 nan 0.000 0.489 275 T N -0.108 114.572 114.554 0.210 0.000 2.708 275 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 275 T C 2.303 177.030 174.700 0.045 0.000 1.037 275 T CA 1.519 63.680 62.100 0.103 0.000 1.146 275 T CB -0.670 68.243 68.868 0.075 0.000 0.865 275 T HN 0.277 nan 8.240 nan 0.000 0.435 276 A N 1.782 124.631 122.820 0.048 0.000 1.930 276 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 276 A C 2.249 179.784 177.584 -0.081 0.000 1.175 276 A CA 1.464 53.495 52.037 -0.011 0.000 0.627 276 A CB -0.730 18.286 19.000 0.027 0.000 0.815 276 A HN 0.549 nan 8.150 nan 0.000 0.443 277 N N -0.311 118.414 118.700 0.043 0.000 2.120 277 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 277 N C 1.544 177.028 175.510 -0.044 0.000 1.024 277 N CA 1.995 55.052 53.050 0.011 0.000 0.852 277 N CB -0.147 38.502 38.487 0.269 0.000 1.003 277 N HN 0.419 nan 8.380 nan 0.000 0.424 278 T N -0.203 114.335 114.554 -0.026 0.000 2.788 278 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 278 T C 1.829 176.309 174.700 -0.366 0.000 1.044 278 T CA 1.556 63.552 62.100 -0.174 0.000 1.139 278 T CB -0.543 68.241 68.868 -0.140 0.000 0.867 278 T HN 0.302 nan 8.240 nan 0.000 0.454 279 T N 2.088 116.505 114.554 -0.227 0.000 2.746 279 T HA -0.020 4.330 4.350 -0.000 0.000 0.267 279 T C 1.861 176.514 174.700 -0.077 0.000 1.039 279 T CA 0.809 62.811 62.100 -0.163 0.000 1.142 279 T CB -0.406 68.401 68.868 -0.101 0.000 0.866 279 T HN 0.112 nan 8.240 nan 0.000 0.444 280 L N 0.955 122.106 121.223 -0.121 0.000 2.093 280 L HA 0.055 4.395 4.340 -0.000 0.000 0.208 280 L C 2.618 179.509 176.870 0.036 0.000 1.085 280 L CA 1.662 56.458 54.840 -0.072 0.000 0.755 280 L CB -0.959 40.953 42.059 -0.246 0.000 0.904 280 L HN 0.182 nan 8.230 nan 0.000 0.435 281 S N -1.510 114.187 115.700 -0.006 0.000 2.368 281 S HA -0.240 4.230 4.470 -0.000 0.000 0.225 281 S C 2.077 176.777 174.600 0.166 0.000 1.030 281 S CA 1.343 59.577 58.200 0.057 0.000 0.999 281 S CB -0.393 62.833 63.200 0.044 0.000 0.844 281 S HN 0.659 nan 8.310 nan 0.000 0.459 282 H N -0.719 118.361 119.070 0.017 0.000 2.357 282 H HA 0.010 4.566 4.556 -0.000 0.000 0.301 282 H C 1.748 177.083 175.328 0.011 0.000 1.082 282 H CA 1.549 57.599 56.048 0.003 0.000 1.342 282 H CB -1.030 28.741 29.762 0.014 0.000 1.389 282 H HN 0.639 nan 8.280 nan 0.000 0.511 283 Y N 0.448 120.806 120.300 0.096 0.000 2.224 283 Y HA -0.243 4.307 4.550 -0.000 0.000 0.289 283 Y C 2.405 178.329 175.900 0.039 0.000 1.146 283 Y CA 1.323 59.451 58.100 0.047 0.000 1.182 283 Y CB -0.537 37.933 38.460 0.016 0.000 0.983 283 Y HN 0.151 nan 8.280 nan 0.000 0.524 284 C N 0.126 119.488 119.300 0.104 0.000 2.440 284 C HA -0.103 4.357 4.460 -0.000 0.000 0.278 284 C C 2.729 177.721 174.990 0.003 0.000 1.295 284 C CA 1.310 60.369 59.018 0.067 0.000 1.738 284 C CB -1.179 26.633 27.740 0.119 0.000 1.987 284 C HN 0.577 nan 8.230 nan 0.000 0.492 285 R N 1.865 122.322 120.500 -0.071 0.000 2.081 285 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 285 R C 1.494 177.710 176.300 -0.140 0.000 1.131 285 R CA 1.976 57.965 56.100 -0.183 0.000 0.960 285 R CB -0.897 29.295 30.300 -0.179 0.000 0.856 285 R HN 0.399 nan 8.270 nan 0.000 0.436 286 D N -0.210 120.096 120.400 -0.157 0.000 2.264 286 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 286 D C 0.384 176.563 176.300 -0.202 0.000 0.966 286 D CA 0.913 54.808 54.000 -0.175 0.000 0.864 286 D CB -0.009 40.675 40.800 -0.193 0.000 0.933 286 D HN 0.371 nan 8.370 nan 0.000 0.499 287 N N -0.685 117.860 118.700 -0.258 0.000 2.200 287 N HA 0.135 4.875 4.740 -0.000 0.000 0.224 287 N C 0.805 176.282 175.510 -0.055 0.000 1.179 287 N CA 0.301 53.225 53.050 -0.209 0.000 0.877 287 N CB 1.856 40.096 38.487 -0.412 0.000 1.072 287 N HN 0.056 nan 8.380 nan 0.000 0.519 288 G N 1.562 110.386 108.800 0.040 0.000 2.179 288 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 288 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 288 G C -0.131 174.783 174.900 0.022 0.000 1.010 288 G CA 0.162 45.327 45.100 0.109 0.000 0.736 288 G HN 0.253 nan 8.290 nan 0.000 0.513 289 L N -0.087 121.191 121.223 0.091 0.000 2.307 289 L HA 0.588 4.928 4.340 -0.000 0.000 0.282 289 L C 1.023 177.889 176.870 -0.007 0.000 1.051 289 L CA -1.046 53.805 54.840 0.018 0.000 0.804 289 L CB 1.371 43.475 42.059 0.074 0.000 1.197 289 L HN 0.038 nan 8.230 nan 0.000 0.431 290 L N 3.648 124.777 121.223 -0.156 0.000 2.371 290 L HA 0.287 4.627 4.340 -0.000 0.000 0.272 290 L C -0.431 176.329 176.870 -0.183 0.000 1.124 290 L CA -0.372 54.356 54.840 -0.187 0.000 0.816 290 L CB 1.189 43.080 42.059 -0.279 0.000 1.129 290 L HN 0.382 nan 8.230 nan 0.000 0.448 291 L N 3.073 124.188 121.223 -0.180 0.000 2.319 291 L HA 0.359 4.699 4.340 -0.000 0.000 0.281 291 L C -0.559 176.105 176.870 -0.344 0.000 1.005 291 L CA -0.229 54.494 54.840 -0.195 0.000 0.828 291 L CB 1.041 43.052 42.059 -0.080 0.000 1.227 291 L HN 0.456 nan 8.230 nan 0.000 0.415 292 H N 5.415 124.164 119.070 -0.534 0.000 2.527 292 H HA 0.587 5.143 4.556 -0.000 0.000 0.321 292 H C -0.905 174.268 175.328 -0.259 0.000 1.087 292 H CA -0.490 55.206 56.048 -0.587 0.000 1.337 292 H CB 0.757 29.940 29.762 -0.965 0.000 1.440 292 H HN 0.517 nan 8.280 nan 0.000 0.490 293 I N 5.513 125.684 120.570 -0.664 0.000 2.404 293 I HA 0.179 4.349 4.170 -0.000 0.000 0.293 293 I C 0.080 175.929 176.117 -0.447 0.000 0.992 293 I CA -0.518 60.542 61.300 -0.400 0.000 1.149 293 I CB 1.247 39.032 38.000 -0.358 0.000 1.315 293 I HN 0.697 nan 8.210 nan 0.000 0.446 294 H N 5.828 124.785 119.070 -0.189 0.000 2.463 294 H HA 0.366 4.922 4.556 0.000 0.000 0.332 294 H C 0.328 175.636 175.328 -0.032 0.000 1.127 294 H CA -0.414 55.488 56.048 -0.243 0.000 1.238 294 H CB 1.903 31.537 29.762 -0.212 0.000 1.478 294 H HN 0.482 nan 8.280 nan 0.000 0.499 295 R N 1.611 122.170 120.500 0.098 0.000 2.586 295 R HA 0.457 4.797 4.340 -0.000 0.000 0.306 295 R C 0.234 176.596 176.300 0.103 0.000 1.079 295 R CA -0.571 55.620 56.100 0.152 0.000 1.083 295 R CB 0.151 30.474 30.300 0.039 0.000 1.306 295 R HN 0.337 nan 8.270 nan 0.000 0.567 296 A N 1.660 124.505 122.820 0.041 0.000 2.598 296 A HA 0.039 4.359 4.320 -0.000 0.000 0.239 296 A C 0.923 178.487 177.584 -0.034 0.000 1.032 296 A CA 0.912 52.942 52.037 -0.013 0.000 0.760 296 A CB -0.212 18.725 19.000 -0.106 0.000 0.946 296 A HN 0.870 nan 8.150 nan 0.000 0.512 297 M N 0.613 120.194 119.600 -0.032 0.000 3.019 297 M HA -0.289 4.190 4.480 -0.000 0.000 0.214 297 M C 0.851 177.109 176.300 -0.070 0.000 0.577 297 M CA 1.864 57.116 55.300 -0.081 0.000 0.816 297 M CB -2.088 30.446 32.600 -0.111 0.000 2.911 297 M HN 1.240 nan 8.290 nan 0.000 0.302 298 H N -1.117 117.895 119.070 -0.096 0.000 2.389 298 H HA 0.343 4.899 4.556 -0.000 0.000 0.299 298 H C 1.739 177.028 175.328 -0.064 0.000 1.081 298 H CA 1.616 57.626 56.048 -0.063 0.000 1.345 298 H CB -0.410 29.349 29.762 -0.005 0.000 1.393 298 H HN 0.478 nan 8.280 nan 0.000 0.520 299 A N 1.174 123.494 122.820 -0.833 0.000 2.172 299 A HA 0.015 4.335 4.320 -0.000 0.000 0.216 299 A C 2.282 179.715 177.584 -0.252 0.000 1.154 299 A CA 1.017 52.715 52.037 -0.565 0.000 0.701 299 A CB -0.648 18.006 19.000 -0.578 0.000 0.789 299 A HN 0.374 nan 8.150 nan 0.000 0.465 300 V N -0.619 119.180 119.914 -0.192 0.000 2.809 300 V HA -0.128 3.992 4.120 -0.000 0.000 0.256 300 V C 2.024 178.071 176.094 -0.079 0.000 1.080 300 V CA 1.721 63.952 62.300 -0.116 0.000 1.102 300 V CB -0.391 31.371 31.823 -0.101 0.000 0.705 300 V HN 0.620 nan 8.190 nan 0.000 0.475 301 I N 0.370 120.892 120.570 -0.080 0.000 3.616 301 I HA 0.041 4.211 4.170 -0.000 0.000 0.296 301 I C 1.570 177.676 176.117 -0.019 0.000 1.226 301 I CA 0.781 62.050 61.300 -0.050 0.000 1.394 301 I CB 0.142 38.100 38.000 -0.071 0.000 1.171 301 I HN 0.421 nan 8.210 nan 0.000 0.442 302 D N -0.279 120.104 120.400 -0.027 0.000 2.395 302 D HA -0.025 4.615 4.640 -0.000 0.000 0.213 302 D C 1.786 178.076 176.300 -0.017 0.000 1.110 302 D CA -0.055 53.941 54.000 -0.007 0.000 0.835 302 D CB 0.079 40.893 40.800 0.023 0.000 0.965 302 D HN -0.062 nan 8.370 nan 0.000 0.505 303 R N 0.265 120.744 120.500 -0.034 0.000 2.057 303 R HA 0.029 4.369 4.340 -0.000 0.000 0.229 303 R C 0.465 176.785 176.300 0.034 0.000 1.136 303 R CA 1.132 57.220 56.100 -0.021 0.000 0.952 303 R CB -0.171 30.094 30.300 -0.057 0.000 0.848 303 R HN 0.047 nan 8.270 nan 0.000 0.430 304 Q N 0.770 120.600 119.800 0.050 0.000 2.293 304 Q HA 0.021 4.361 4.340 -0.000 0.000 0.251 304 Q C 0.121 176.187 176.000 0.110 0.000 0.930 304 Q CA 0.204 56.052 55.803 0.076 0.000 0.893 304 Q CB 1.445 30.230 28.738 0.077 0.000 1.215 304 Q HN 0.204 nan 8.270 nan 0.000 0.425 305 K N 2.161 122.626 120.400 0.108 0.000 2.366 305 K HA -0.088 4.232 4.320 -0.000 0.000 0.198 305 K C 1.016 177.685 176.600 0.114 0.000 1.044 305 K CA 0.982 57.341 56.287 0.121 0.000 0.973 305 K CB 0.399 32.961 32.500 0.104 0.000 0.767 305 K HN 0.543 nan 8.250 nan 0.000 0.475 306 N N -1.064 117.707 118.700 0.118 0.000 2.356 306 N HA -0.080 4.660 4.740 -0.000 0.000 0.178 306 N C -0.390 175.231 175.510 0.185 0.000 1.075 306 N CA 0.278 53.402 53.050 0.124 0.000 0.889 306 N CB 0.164 38.714 38.487 0.104 0.000 0.999 306 N HN 0.166 nan 8.380 nan 0.000 0.464 307 H N -1.228 117.904 119.070 0.104 0.000 2.954 307 H HA 0.578 5.134 4.556 -0.000 0.000 0.361 307 H C 0.048 175.477 175.328 0.168 0.000 1.122 307 H CA 0.406 56.547 56.048 0.155 0.000 1.217 307 H CB 1.610 31.449 29.762 0.128 0.000 1.776 307 H HN 0.326 nan 8.280 nan 0.000 0.533 308 G N 2.342 111.179 108.800 0.062 0.000 2.255 308 G HA2 0.018 3.978 3.960 -0.000 0.000 0.216 308 G HA3 0.018 3.978 3.960 -0.000 0.000 0.216 308 G C -1.528 173.418 174.900 0.076 0.000 1.307 308 G CA -0.414 44.730 45.100 0.075 0.000 1.162 308 G HN 0.639 nan 8.290 nan 0.000 0.494 309 M N 0.681 120.289 119.600 0.013 0.000 2.378 309 M HA 0.374 4.854 4.480 -0.000 0.000 0.289 309 M C -0.343 175.996 176.300 0.065 0.000 1.136 309 M CA -0.806 54.499 55.300 0.008 0.000 0.917 309 M CB 2.427 34.945 32.600 -0.136 0.000 1.669 309 M HN 0.775 nan 8.290 nan 0.000 0.461 310 H N 1.625 120.714 119.070 0.032 0.000 2.679 310 H HA 0.103 4.659 4.556 -0.000 0.000 0.369 310 H C 0.105 175.496 175.328 0.105 0.000 1.178 310 H CA 0.635 56.740 56.048 0.096 0.000 1.419 310 H CB 0.937 30.760 29.762 0.102 0.000 1.458 310 H HN 0.766 nan 8.280 nan 0.000 0.605 311 F N 3.971 123.629 119.950 -0.487 0.000 2.202 311 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 311 F C 2.620 178.333 175.800 -0.144 0.000 1.082 311 F CA 1.595 59.416 58.000 -0.298 0.000 1.313 311 F CB -0.114 38.593 39.000 -0.489 0.000 1.024 311 F HN 0.658 nan 8.300 nan 0.000 0.495 312 R N -0.511 120.060 120.500 0.118 0.000 2.152 312 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 312 R C 1.736 178.011 176.300 -0.041 0.000 1.117 312 R CA 1.805 57.931 56.100 0.043 0.000 0.981 312 R CB -1.349 29.162 30.300 0.351 0.000 0.870 312 R HN 0.290 nan 8.270 nan 0.000 0.451 313 V N 1.717 121.636 119.914 0.009 0.000 2.453 313 V HA -0.124 3.996 4.120 -0.000 0.000 0.247 313 V C 2.354 178.469 176.094 0.036 0.000 1.048 313 V CA 1.343 63.667 62.300 0.040 0.000 1.049 313 V CB -0.309 31.541 31.823 0.046 0.000 0.672 313 V HN 0.275 nan 8.190 nan 0.000 0.457 314 L N 0.061 121.232 121.223 -0.087 0.000 2.217 314 L HA -0.037 4.303 4.340 -0.000 0.000 0.211 314 L C 2.599 179.371 176.870 -0.164 0.000 1.107 314 L CA 1.156 56.003 54.840 0.010 0.000 0.783 314 L CB -0.668 41.400 42.059 0.014 0.000 0.919 314 L HN 0.346 nan 8.230 nan 0.000 0.442 315 A N 0.120 122.591 122.820 -0.583 0.000 1.930 315 A HA -0.134 4.186 4.320 -0.000 0.000 0.215 315 A C 2.339 179.812 177.584 -0.185 0.000 1.176 315 A CA 1.091 52.815 52.037 -0.523 0.000 0.632 315 A CB -0.160 18.434 19.000 -0.676 0.000 0.819 315 A HN 0.243 nan 8.150 nan 0.000 0.445 316 K N -0.155 120.213 120.400 -0.054 0.000 2.057 316 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 316 K C 2.290 178.899 176.600 0.014 0.000 1.050 316 K CA 1.078 57.434 56.287 0.115 0.000 0.935 316 K CB -0.316 32.289 32.500 0.177 0.000 0.715 316 K HN 0.413 nan 8.250 nan 0.000 0.439 317 A N 1.828 124.633 122.820 -0.024 0.000 1.978 317 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 317 A C 2.024 179.566 177.584 -0.069 0.000 1.170 317 A CA 1.117 53.065 52.037 -0.148 0.000 0.636 317 A CB -0.502 18.432 19.000 -0.111 0.000 0.810 317 A HN 0.251 nan 8.150 nan 0.000 0.448 318 L N -0.491 120.732 121.223 -0.001 0.000 2.072 318 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 318 L C 2.413 179.167 176.870 -0.192 0.000 1.079 318 L CA 2.136 56.891 54.840 -0.143 0.000 0.752 318 L CB -0.844 40.945 42.059 -0.449 0.000 0.906 318 L HN 0.537 nan 8.230 nan 0.000 0.436 319 R N -0.382 119.987 120.500 -0.219 0.000 2.120 319 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 319 R C 2.317 178.483 176.300 -0.223 0.000 1.123 319 R CA 1.220 57.148 56.100 -0.285 0.000 0.975 319 R CB -0.027 29.966 30.300 -0.512 0.000 0.866 319 R HN 0.411 nan 8.270 nan 0.000 0.446 320 L N -0.825 120.260 121.223 -0.229 0.000 2.049 320 L HA -0.088 4.252 4.340 -0.000 0.000 0.203 320 L C 2.599 179.368 176.870 -0.169 0.000 1.074 320 L CA 1.315 55.927 54.840 -0.379 0.000 0.749 320 L CB -0.627 40.868 42.059 -0.940 0.000 0.907 320 L HN 0.232 nan 8.230 nan 0.000 0.439 321 S N -0.730 114.905 115.700 -0.108 0.000 2.356 321 S HA 0.004 4.474 4.470 -0.000 0.000 0.223 321 S C 0.841 175.474 174.600 0.055 0.000 1.032 321 S CA 1.140 59.379 58.200 0.066 0.000 1.005 321 S CB -0.255 63.038 63.200 0.155 0.000 0.867 321 S HN 0.611 nan 8.310 nan 0.000 0.449 322 G N -1.626 107.162 108.800 -0.020 0.000 2.957 322 G HA2 0.439 4.399 3.960 -0.000 0.000 0.636 322 G HA3 0.439 4.399 3.960 -0.000 0.000 0.636 322 G C -0.336 174.514 174.900 -0.082 0.000 1.401 322 G CA -0.433 44.645 45.100 -0.036 0.000 0.941 322 G HN 1.101 nan 8.290 nan 0.000 0.610 323 G N 0.470 109.203 108.800 -0.111 0.000 2.596 323 G HA2 0.587 4.546 3.960 -0.000 0.000 0.296 323 G HA3 0.587 4.546 3.960 -0.000 0.000 0.296 323 G C -0.212 174.618 174.900 -0.117 0.000 1.513 323 G CA 0.179 45.196 45.100 -0.138 0.000 0.851 323 G HN 0.367 nan 8.290 nan 0.000 0.548 324 D N -0.400 119.933 120.400 -0.111 0.000 2.301 324 D HA 0.100 4.740 4.640 -0.000 0.000 0.206 324 D C 0.358 176.712 176.300 0.089 0.000 0.979 324 D CA 0.993 54.972 54.000 -0.035 0.000 0.874 324 D CB 0.423 41.194 40.800 -0.048 0.000 0.968 324 D HN 0.554 nan 8.370 nan 0.000 0.510 325 H N -0.752 118.192 119.070 -0.209 0.000 2.821 325 H HA 0.613 5.169 4.556 -0.000 0.000 0.373 325 H C -0.854 174.275 175.328 -0.332 0.000 1.165 325 H CA -0.816 55.090 56.048 -0.237 0.000 1.154 325 H CB 3.153 32.770 29.762 -0.242 0.000 1.765 325 H HN -0.148 nan 8.280 nan 0.000 0.549 326 I N 1.522 122.009 120.570 -0.138 0.000 2.644 326 I HA 0.137 4.307 4.170 -0.000 0.000 0.291 326 I C -0.683 175.390 176.117 -0.073 0.000 1.180 326 I CA -0.526 60.678 61.300 -0.161 0.000 1.040 326 I CB 1.838 39.758 38.000 -0.133 0.000 1.255 326 I HN 0.684 nan 8.210 nan 0.000 0.422 327 H N 5.050 123.980 119.070 -0.233 0.000 2.964 327 H HA 0.098 4.654 4.556 -0.000 0.000 0.328 327 H C 0.468 175.706 175.328 -0.149 0.000 1.030 327 H CA 0.810 56.743 56.048 -0.191 0.000 1.445 327 H CB 1.001 30.647 29.762 -0.193 0.000 1.449 327 H HN 0.647 nan 8.280 nan 0.000 0.581 328 S N 1.907 117.560 115.700 -0.078 0.000 2.847 328 S HA 0.330 4.800 4.470 -0.000 0.000 0.254 328 S C 0.753 175.415 174.600 0.104 0.000 1.039 328 S CA 0.057 58.306 58.200 0.082 0.000 1.113 328 S CB 0.960 64.354 63.200 0.324 0.000 1.092 328 S HN 1.085 nan 8.310 nan 0.000 0.620 329 G N 1.223 109.996 108.800 -0.044 0.000 2.661 329 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.685 329 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.685 329 G C 0.230 175.149 174.900 0.032 0.000 1.298 329 G CA 0.189 45.295 45.100 0.010 0.000 0.855 329 G HN 1.070 nan 8.290 nan 0.000 0.560 330 T N -3.320 111.252 114.554 0.030 0.000 2.959 330 T HA 0.491 4.841 4.350 -0.000 0.000 0.254 330 T C 1.770 176.521 174.700 0.085 0.000 1.003 330 T CA 1.312 63.441 62.100 0.049 0.000 0.950 330 T CB 0.560 69.360 68.868 -0.113 0.000 1.090 330 T HN 2.271 nan 8.240 nan 0.000 0.503 331 V N 0.871 120.817 119.914 0.052 0.000 0.542 331 V HA -0.335 3.785 4.120 -0.000 0.000 0.092 331 V C 2.051 178.151 176.094 0.009 0.000 2.107 331 V CA 2.143 64.458 62.300 0.025 0.000 3.514 331 V CB -1.828 29.987 31.823 -0.013 0.000 0.805 331 V HN 0.770 nan 8.190 nan 0.000 0.840 332 V N -0.674 119.220 119.914 -0.034 0.000 3.623 332 V HA 0.621 4.741 4.120 -0.000 0.000 0.271 332 V C 1.172 177.197 176.094 -0.115 0.000 1.248 332 V CA 1.572 63.839 62.300 -0.055 0.000 1.156 332 V CB -0.225 31.533 31.823 -0.109 0.000 0.870 332 V HN 0.951 nan 8.190 nan 0.000 0.453 333 G N 1.238 109.935 108.800 -0.173 0.000 2.695 333 G HA2 0.286 4.246 3.960 -0.000 0.000 0.213 333 G HA3 0.286 4.246 3.960 -0.000 0.000 0.213 333 G C 0.696 175.336 174.900 -0.433 0.000 1.406 333 G CA -0.019 44.906 45.100 -0.292 0.000 1.049 333 G HN 0.471 nan 8.290 nan 0.000 0.573 334 K N -1.096 118.824 120.400 -0.800 0.000 2.432 334 K HA 0.179 4.499 4.320 -0.000 0.000 0.196 334 K C 0.168 176.583 176.600 -0.308 0.000 1.038 334 K CA 0.383 56.190 56.287 -0.801 0.000 0.986 334 K CB -0.215 31.765 32.500 -0.866 0.000 0.782 334 K HN 0.211 nan 8.250 nan 0.000 0.485 335 L N 1.665 122.766 121.223 -0.203 0.000 2.342 335 L HA 0.323 4.663 4.340 -0.000 0.000 0.271 335 L C -0.120 176.720 176.870 -0.050 0.000 1.008 335 L CA -1.169 53.604 54.840 -0.110 0.000 0.818 335 L CB 1.941 43.954 42.059 -0.076 0.000 1.296 335 L HN 0.109 nan 8.230 nan 0.000 0.427 336 E N 0.930 121.112 120.200 -0.030 0.000 2.437 336 E HA 0.347 4.696 4.350 -0.000 0.000 0.263 336 E C -0.227 176.403 176.600 0.050 0.000 1.030 336 E CA 0.412 56.821 56.400 0.015 0.000 0.934 336 E CB 0.602 30.309 29.700 0.012 0.000 0.943 336 E HN 0.758 nan 8.360 nan 0.000 0.444 337 G N 3.902 112.748 108.800 0.075 0.000 1.882 337 G HA2 0.005 3.965 3.960 -0.000 0.000 0.256 337 G HA3 0.005 3.965 3.960 -0.000 0.000 0.256 337 G C -1.159 173.789 174.900 0.081 0.000 2.065 337 G CA -0.781 44.382 45.100 0.105 0.000 0.882 337 G HN 0.391 nan 8.290 nan 0.000 0.574 338 E N 1.595 121.850 120.200 0.091 0.000 2.354 338 E HA 0.183 4.533 4.350 -0.000 0.000 0.269 338 E C 1.367 177.968 176.600 0.001 0.000 1.036 338 E CA -0.604 55.829 56.400 0.055 0.000 0.876 338 E CB 1.998 31.743 29.700 0.074 0.000 1.009 338 E HN 0.625 nan 8.360 nan 0.000 0.416 339 R N 2.148 122.632 120.500 -0.027 0.000 2.080 339 R HA -0.200 4.140 4.340 -0.000 0.000 0.236 339 R C 0.896 177.130 176.300 -0.110 0.000 1.137 339 R CA 1.972 58.021 56.100 -0.086 0.000 0.943 339 R CB 0.090 30.344 30.300 -0.077 0.000 0.846 339 R HN 0.422 nan 8.270 nan 0.000 0.431 340 D N 0.157 120.518 120.400 -0.066 0.000 2.097 340 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 340 D C 1.901 178.158 176.300 -0.073 0.000 0.984 340 D CA 1.143 55.103 54.000 -0.066 0.000 0.826 340 D CB -0.105 40.675 40.800 -0.034 0.000 0.973 340 D HN 0.292 nan 8.370 nan 0.000 0.460 341 I N 0.484 121.036 120.570 -0.030 0.000 2.315 341 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 341 I C 2.112 178.117 176.117 -0.186 0.000 1.117 341 I CA 0.958 62.266 61.300 0.014 0.000 1.404 341 I CB -0.182 37.918 38.000 0.167 0.000 1.071 341 I HN 0.010 nan 8.210 nan 0.000 0.419 342 T N 1.256 115.615 114.554 -0.325 0.000 2.737 342 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 342 T C 1.928 176.228 174.700 -0.667 0.000 1.038 342 T CA 1.149 62.782 62.100 -0.779 0.000 1.144 342 T CB -0.288 68.367 68.868 -0.355 0.000 0.866 342 T HN 0.236 nan 8.240 nan 0.000 0.434 343 L N 0.750 121.762 121.223 -0.352 0.000 2.187 343 L HA -0.037 4.303 4.340 -0.000 0.000 0.213 343 L C 2.853 179.626 176.870 -0.161 0.000 1.100 343 L CA 1.089 55.786 54.840 -0.238 0.000 0.765 343 L CB -0.848 41.105 42.059 -0.177 0.000 0.904 343 L HN 0.354 nan 8.230 nan 0.000 0.437 344 G N 0.939 109.645 108.800 -0.157 0.000 2.414 344 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.215 344 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.215 344 G C 1.284 176.234 174.900 0.085 0.000 1.188 344 G CA 0.848 45.935 45.100 -0.022 0.000 0.783 344 G HN 0.479 nan 8.290 nan 0.000 0.537 345 F N 0.601 120.649 119.950 0.163 0.000 2.558 345 F HA 0.276 4.803 4.527 0.000 0.000 0.298 345 F C 2.077 177.970 175.800 0.155 0.000 1.119 345 F CA -0.191 57.915 58.000 0.178 0.000 1.451 345 F CB -0.787 38.358 39.000 0.242 0.000 1.091 345 F HN -0.015 nan 8.300 nan 0.000 0.563 346 V N 1.161 121.177 119.914 0.171 0.000 2.427 346 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 346 V C 2.033 178.219 176.094 0.152 0.000 1.051 346 V CA 2.203 64.633 62.300 0.216 0.000 1.048 346 V CB -0.624 31.290 31.823 0.151 0.000 0.666 346 V HN 0.238 nan 8.190 nan 0.000 0.456 347 D N -0.001 120.466 120.400 0.112 0.000 2.144 347 D HA -0.075 4.565 4.640 -0.000 0.000 0.200 347 D C 2.087 178.471 176.300 0.140 0.000 0.978 347 D CA 1.034 55.096 54.000 0.103 0.000 0.833 347 D CB -0.163 40.686 40.800 0.082 0.000 0.961 347 D HN 0.329 nan 8.370 nan 0.000 0.470 348 L N 0.102 121.444 121.223 0.197 0.000 2.201 348 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 348 L C 2.304 179.241 176.870 0.111 0.000 1.105 348 L CA 0.446 55.451 54.840 0.275 0.000 0.775 348 L CB -0.120 42.133 42.059 0.324 0.000 0.913 348 L HN 0.048 nan 8.230 nan 0.000 0.440 349 L N -1.054 120.197 121.223 0.047 0.000 2.162 349 L HA -0.050 4.290 4.340 -0.000 0.000 0.205 349 L C 2.620 179.386 176.870 -0.173 0.000 1.086 349 L CA 0.892 55.670 54.840 -0.103 0.000 0.778 349 L CB -0.162 41.906 42.059 0.014 0.000 0.928 349 L HN 0.161 nan 8.230 nan 0.000 0.446 350 R N -0.956 119.505 120.500 -0.064 0.000 2.175 350 R HA 0.086 4.425 4.340 -0.000 0.000 0.202 350 R C -0.074 176.200 176.300 -0.044 0.000 1.018 350 R CA 0.087 56.154 56.100 -0.055 0.000 1.029 350 R CB 0.157 30.464 30.300 0.011 0.000 0.959 350 R HN 0.228 nan 8.270 nan 0.000 0.480 351 D N 0.279 120.683 120.400 0.007 0.000 2.388 351 D HA 0.012 4.652 4.640 -0.000 0.000 0.254 351 D C 0.200 176.589 176.300 0.149 0.000 1.111 351 D CA -0.149 53.901 54.000 0.083 0.000 0.993 351 D CB 1.067 41.947 40.800 0.134 0.000 1.118 351 D HN -0.130 nan 8.370 nan 0.000 0.502 352 D N -1.484 119.050 120.400 0.223 0.000 2.333 352 D HA -0.040 4.599 4.640 -0.000 0.000 0.208 352 D C -0.794 175.789 176.300 0.471 0.000 0.984 352 D CA 0.326 54.525 54.000 0.331 0.000 0.873 352 D CB 0.259 41.194 40.800 0.225 0.000 0.935 352 D HN 0.302 nan 8.370 nan 0.000 0.521 353 Y N -0.645 119.797 120.300 0.237 0.000 2.436 353 Y HA 0.406 4.956 4.550 0.000 0.000 0.327 353 Y C -1.681 174.311 175.900 0.153 0.000 1.138 353 Y CA -0.745 57.455 58.100 0.167 0.000 1.042 353 Y CB 1.605 40.125 38.460 0.100 0.000 1.302 353 Y HN -0.303 nan 8.280 nan 0.000 0.439 354 T N 5.536 119.875 114.554 -0.357 0.000 2.928 354 T HA 0.263 4.613 4.350 -0.000 0.000 0.296 354 T C -1.120 173.313 174.700 -0.445 0.000 1.000 354 T CA -0.702 61.256 62.100 -0.237 0.000 0.989 354 T CB 1.559 70.425 68.868 -0.003 0.000 1.005 354 T HN 0.662 nan 8.240 nan 0.000 0.442 355 E N 2.104 122.108 120.200 -0.326 0.000 2.313 355 E HA 0.279 4.629 4.350 -0.000 0.000 0.272 355 E C 0.133 176.679 176.600 -0.090 0.000 1.038 355 E CA -0.761 55.504 56.400 -0.225 0.000 0.863 355 E CB 0.801 30.464 29.700 -0.061 0.000 1.060 355 E HN 0.434 nan 8.360 nan 0.000 0.402 356 K N 2.397 122.767 120.400 -0.051 0.000 2.550 356 K HA -0.133 4.187 4.320 -0.000 0.000 0.280 356 K C -0.977 175.596 176.600 -0.044 0.000 0.987 356 K CA 0.787 57.059 56.287 -0.026 0.000 1.048 356 K CB 0.300 32.792 32.500 -0.013 0.000 0.879 356 K HN 0.418 nan 8.250 nan 0.000 0.491 357 D N 3.603 123.963 120.400 -0.066 0.000 2.491 357 D HA 0.114 4.754 4.640 -0.000 0.000 0.232 357 D C 0.223 176.452 176.300 -0.117 0.000 1.334 357 D CA -0.447 53.510 54.000 -0.072 0.000 0.909 357 D CB 0.441 41.216 40.800 -0.041 0.000 1.513 357 D HN 0.524 nan 8.370 nan 0.000 0.514 358 R N 0.680 121.075 120.500 -0.176 0.000 2.200 358 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 358 R C 1.797 178.001 176.300 -0.160 0.000 1.127 358 R CA 1.219 57.166 56.100 -0.255 0.000 0.989 358 R CB -0.574 29.556 30.300 -0.284 0.000 0.869 358 R HN 0.500 nan 8.270 nan 0.000 0.459 359 S N 0.324 115.965 115.700 -0.098 0.000 2.447 359 S HA -0.063 4.407 4.470 -0.000 0.000 0.233 359 S C 1.609 176.179 174.600 -0.050 0.000 1.006 359 S CA 0.615 58.777 58.200 -0.064 0.000 0.957 359 S CB -0.010 63.163 63.200 -0.045 0.000 0.773 359 S HN 0.307 nan 8.310 nan 0.000 0.507 360 R N 0.282 120.750 120.500 -0.052 0.000 2.432 360 R HA 0.324 4.664 4.340 -0.000 0.000 0.260 360 R C 1.220 177.513 176.300 -0.012 0.000 0.935 360 R CA 0.335 56.418 56.100 -0.028 0.000 1.080 360 R CB 0.334 30.621 30.300 -0.022 0.000 1.155 360 R HN 0.532 nan 8.270 nan 0.000 0.531 361 G N 1.815 110.584 108.800 -0.050 0.000 2.143 361 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 361 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 361 G C 0.121 175.077 174.900 0.093 0.000 0.991 361 G CA -0.193 44.904 45.100 -0.005 0.000 0.689 361 G HN 0.272 nan 8.290 nan 0.000 0.522 362 I N 1.011 121.590 120.570 0.015 0.000 2.287 362 I HA 0.306 4.476 4.170 -0.000 0.000 0.290 362 I C 1.251 177.380 176.117 0.019 0.000 1.069 362 I CA -0.937 60.422 61.300 0.098 0.000 1.237 362 I CB 0.458 38.494 38.000 0.060 0.000 1.418 362 I HN 0.060 nan 8.210 nan 0.000 0.481 363 Y N 5.340 125.579 120.300 -0.103 0.000 2.457 363 Y HA 0.135 4.685 4.550 0.000 0.000 0.292 363 Y C 0.292 175.920 175.900 -0.454 0.000 1.125 363 Y CA 0.429 58.341 58.100 -0.313 0.000 1.254 363 Y CB -0.142 38.001 38.460 -0.529 0.000 1.012 363 Y HN 0.301 nan 8.280 nan 0.000 0.555 364 F N -1.918 118.153 119.950 0.201 0.000 2.599 364 F HA 0.414 4.941 4.527 -0.001 0.000 0.311 364 F C 0.214 176.024 175.800 0.016 0.000 1.076 364 F CA -1.630 56.439 58.000 0.115 0.000 0.937 364 F CB 1.112 40.181 39.000 0.116 0.000 1.282 364 F HN -0.515 nan 8.300 nan 0.000 0.460 365 T N 1.572 116.234 114.554 0.179 0.000 2.851 365 T HA 0.334 4.684 4.350 -0.000 0.000 0.298 365 T C -0.624 174.036 174.700 -0.067 0.000 0.977 365 T CA -0.166 61.920 62.100 -0.023 0.000 1.126 365 T CB 0.846 69.692 68.868 -0.036 0.000 0.916 365 T HN 0.431 nan 8.240 nan 0.000 0.529 366 Q N 2.035 121.720 119.800 -0.190 0.000 2.340 366 Q HA 0.552 4.892 4.340 -0.000 0.000 0.268 366 Q C -1.185 174.631 176.000 -0.306 0.000 1.031 366 Q CA -0.393 55.249 55.803 -0.269 0.000 0.804 366 Q CB 1.479 30.055 28.738 -0.271 0.000 1.286 366 Q HN 0.594 nan 8.270 nan 0.000 0.448 367 S N 2.996 118.522 115.700 -0.288 0.000 2.537 367 S HA 0.465 4.935 4.470 -0.000 0.000 0.301 367 S C -0.757 173.654 174.600 -0.315 0.000 1.092 367 S CA -0.522 57.632 58.200 -0.077 0.000 1.048 367 S CB 0.609 63.864 63.200 0.092 0.000 1.053 367 S HN 0.821 nan 8.310 nan 0.000 0.501 368 W N 0.822 122.173 121.300 0.085 0.000 2.870 368 W HA 0.226 4.886 4.660 -0.001 0.000 0.358 368 W C 0.516 177.059 176.519 0.040 0.000 1.043 368 W CA -0.515 56.857 57.345 0.044 0.000 1.692 368 W CB -0.071 29.407 29.460 0.031 0.000 1.100 368 W HN 0.594 nan 8.180 nan 0.000 0.557 369 V N -0.160 119.879 119.914 0.209 0.000 5.482 369 V HA -0.390 3.730 4.120 -0.000 0.000 0.262 369 V C 0.698 176.875 176.094 0.138 0.000 0.664 369 V CA 0.762 63.146 62.300 0.140 0.000 0.609 369 V CB -2.545 29.334 31.823 0.095 0.000 0.306 369 V HN 0.487 nan 8.190 nan 0.000 0.731 370 S N -2.140 113.651 115.700 0.152 0.000 3.382 370 S HA -0.204 4.266 4.470 -0.000 0.000 0.293 370 S C 0.651 175.305 174.600 0.089 0.000 1.262 370 S CA 1.312 59.576 58.200 0.107 0.000 0.969 370 S CB -1.813 61.429 63.200 0.070 0.000 1.136 370 S HN 1.488 nan 8.310 nan 0.000 0.635 371 T N 3.776 118.408 114.554 0.130 0.000 2.867 371 T HA 0.319 4.669 4.350 -0.000 0.000 0.297 371 T C -1.765 172.920 174.700 -0.023 0.000 0.989 371 T CA -0.486 61.656 62.100 0.069 0.000 1.159 371 T CB 0.366 69.321 68.868 0.145 0.000 0.928 371 T HN 0.104 nan 8.240 nan 0.000 0.538 372 P HA 0.214 nan 4.420 nan 0.000 0.269 372 P C 0.378 177.594 177.300 -0.140 0.000 1.217 372 P CA -0.257 62.805 63.100 -0.064 0.000 0.783 372 P CB 0.377 32.051 31.700 -0.042 0.000 0.898 373 G N 0.201 108.932 108.800 -0.115 0.000 2.476 373 G HA2 0.472 4.432 3.960 -0.000 0.000 0.286 373 G HA3 0.472 4.432 3.960 -0.000 0.000 0.286 373 G C -0.881 173.945 174.900 -0.122 0.000 1.177 373 G CA -0.442 44.563 45.100 -0.158 0.000 0.870 373 G HN 0.353 nan 8.290 nan 0.000 0.528 374 V N 1.540 121.367 119.914 -0.145 0.000 2.472 374 V HA 0.275 4.395 4.120 -0.000 0.000 0.290 374 V C -0.113 175.943 176.094 -0.063 0.000 1.037 374 V CA -0.869 61.370 62.300 -0.102 0.000 0.908 374 V CB 1.553 33.289 31.823 -0.145 0.000 0.985 374 V HN 0.537 nan 8.190 nan 0.000 0.454 375 L N 8.421 129.618 121.223 -0.044 0.000 2.313 375 L HA 0.440 4.780 4.340 -0.000 0.000 0.282 375 L C -2.026 174.764 176.870 -0.134 0.000 1.092 375 L CA -1.592 53.195 54.840 -0.089 0.000 0.831 375 L CB 0.950 42.922 42.059 -0.145 0.000 1.159 375 L HN 0.450 nan 8.230 nan 0.000 0.442 376 P HA 0.146 nan 4.420 nan 0.000 0.279 376 P C -1.133 175.975 177.300 -0.320 0.000 1.239 376 P CA -0.270 62.742 63.100 -0.147 0.000 0.789 376 P CB 1.371 33.042 31.700 -0.048 0.000 0.933 377 V N 2.834 122.536 119.914 -0.354 0.000 2.357 377 V HA 0.485 4.605 4.120 -0.000 0.000 0.284 377 V C 0.519 176.266 176.094 -0.578 0.000 1.018 377 V CA -0.834 61.186 62.300 -0.467 0.000 0.841 377 V CB 1.143 32.697 31.823 -0.448 0.000 0.991 377 V HN 0.681 nan 8.190 nan 0.000 0.437 378 A N 3.954 126.400 122.820 -0.622 0.000 2.269 378 A HA 0.785 5.105 4.320 -0.000 0.000 0.302 378 A C 0.134 177.435 177.584 -0.472 0.000 1.266 378 A CA -0.156 51.548 52.037 -0.555 0.000 0.894 378 A CB 0.807 19.442 19.000 -0.609 0.000 1.147 378 A HN 0.922 nan 8.150 nan 0.000 0.537 379 S N 1.826 117.300 115.700 -0.377 0.000 2.543 379 S HA 0.721 5.191 4.470 -0.000 0.000 0.271 379 S C -0.498 173.994 174.600 -0.179 0.000 1.148 379 S CA 0.389 58.406 58.200 -0.306 0.000 0.914 379 S CB 1.225 64.268 63.200 -0.262 0.000 1.096 379 S HN 2.534 nan 8.310 nan 0.000 0.471 380 G N 1.749 110.441 108.800 -0.180 0.000 2.421 380 G HA2 0.458 4.418 3.960 -0.000 0.000 0.360 380 G HA3 0.458 4.418 3.960 -0.000 0.000 0.360 380 G C 0.840 175.599 174.900 -0.236 0.000 1.219 380 G CA 0.350 45.357 45.100 -0.155 0.000 1.257 380 G HN 2.166 nan 8.290 nan 0.000 0.609 381 G N -0.085 108.602 108.800 -0.189 0.000 2.147 381 G HA2 -0.056 3.904 3.960 -0.000 0.000 0.244 381 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.244 381 G C 0.575 175.457 174.900 -0.030 0.000 1.005 381 G CA 0.819 45.795 45.100 -0.208 0.000 0.713 381 G HN 2.171 nan 8.290 nan 0.000 0.515 382 I N -1.842 118.709 120.570 -0.032 0.000 2.676 382 I HA 0.955 5.125 4.170 -0.000 0.000 0.309 382 I C 0.248 176.585 176.117 0.366 0.000 0.990 382 I CA -1.325 60.033 61.300 0.097 0.000 1.168 382 I CB 1.577 39.504 38.000 -0.122 0.000 1.343 382 I HN 0.339 nan 8.210 nan 0.000 0.482 383 H N 0.929 120.321 119.070 0.536 0.000 2.942 383 H HA 0.429 4.985 4.556 0.000 0.000 0.316 383 H C 0.656 176.035 175.328 0.084 0.000 1.323 383 H CA -0.478 55.618 56.048 0.080 0.000 1.144 383 H CB 0.695 30.246 29.762 -0.352 0.000 1.866 383 H HN 0.379 nan 8.280 nan 0.000 0.545 384 V N -2.762 117.192 119.914 0.067 0.000 2.363 384 V HA -0.307 3.813 4.120 -0.000 0.000 0.254 384 V C 1.296 177.342 176.094 -0.081 0.000 1.074 384 V CA 2.030 64.264 62.300 -0.110 0.000 1.069 384 V CB -1.265 30.409 31.823 -0.247 0.000 0.659 384 V HN 0.810 nan 8.190 nan 0.000 0.455 385 W N -0.443 120.952 121.300 0.159 0.000 2.525 385 W HA 0.055 4.715 4.660 -0.000 0.000 0.259 385 W C 2.576 179.053 176.519 -0.070 0.000 1.253 385 W CA 0.979 58.339 57.345 0.025 0.000 1.262 385 W CB -0.367 29.131 29.460 0.063 0.000 1.122 385 W HN 0.368 nan 8.180 nan 0.000 0.607 386 H N -0.907 118.236 119.070 0.122 0.000 2.551 386 H HA 0.023 4.579 4.556 -0.000 0.000 0.266 386 H C 1.895 177.293 175.328 0.116 0.000 0.964 386 H CA 0.812 56.903 56.048 0.071 0.000 1.180 386 H CB -0.261 29.489 29.762 -0.020 0.000 1.408 386 H HN 0.154 nan 8.280 nan 0.000 0.563 387 M N 1.377 121.113 119.600 0.227 0.000 2.106 387 M HA -0.091 4.388 4.480 -0.000 0.000 0.259 387 M C -0.918 175.471 176.300 0.149 0.000 1.068 387 M CA 1.693 57.099 55.300 0.176 0.000 1.100 387 M CB -0.843 31.802 32.600 0.075 0.000 1.351 387 M HN 0.081 nan 8.290 nan 0.000 0.404 388 P HA -0.015 nan 4.420 nan 0.000 0.217 388 P C 1.053 178.419 177.300 0.111 0.000 1.151 388 P CA 1.930 65.099 63.100 0.114 0.000 0.828 388 P CB -0.234 31.535 31.700 0.115 0.000 0.788 389 A N -0.567 122.332 122.820 0.131 0.000 1.898 389 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 389 A C 2.166 179.803 177.584 0.088 0.000 1.181 389 A CA 1.355 53.452 52.037 0.099 0.000 0.620 389 A CB -1.634 17.437 19.000 0.119 0.000 0.819 389 A HN 0.094 nan 8.150 nan 0.000 0.442 390 L N -0.762 120.548 121.223 0.145 0.000 2.017 390 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 390 L C 2.737 179.734 176.870 0.211 0.000 1.073 390 L CA 1.795 56.763 54.840 0.214 0.000 0.745 390 L CB -0.932 41.258 42.059 0.218 0.000 0.894 390 L HN 0.327 nan 8.230 nan 0.000 0.432 391 T N -1.203 113.443 114.554 0.153 0.000 2.833 391 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 391 T C 1.795 176.548 174.700 0.088 0.000 1.054 391 T CA 1.150 63.325 62.100 0.126 0.000 1.135 391 T CB -0.086 68.842 68.868 0.100 0.000 0.869 391 T HN 0.337 nan 8.240 nan 0.000 0.466 392 E N 0.772 121.007 120.200 0.057 0.000 2.076 392 E HA -0.021 4.329 4.350 -0.000 0.000 0.190 392 E C 2.179 178.749 176.600 -0.050 0.000 0.979 392 E CA 0.663 57.071 56.400 0.013 0.000 0.807 392 E CB -0.087 29.621 29.700 0.014 0.000 0.761 392 E HN 0.480 nan 8.360 nan 0.000 0.454 393 I N -0.018 120.479 120.570 -0.123 0.000 2.233 393 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 393 I C 1.966 177.819 176.117 -0.440 0.000 1.093 393 I CA 1.028 62.122 61.300 -0.345 0.000 1.380 393 I CB -0.196 37.456 38.000 -0.580 0.000 1.067 393 I HN 0.048 nan 8.210 nan 0.000 0.413 394 F N 0.497 120.439 119.950 -0.013 0.000 2.446 394 F HA 0.318 4.845 4.527 -0.000 0.000 0.292 394 F C 1.577 177.375 175.800 -0.004 0.000 1.096 394 F CA 0.682 58.673 58.000 -0.016 0.000 1.438 394 F CB -0.736 38.248 39.000 -0.026 0.000 1.107 394 F HN 0.147 nan 8.300 nan 0.000 0.546 395 G N 0.524 109.419 108.800 0.159 0.000 2.725 395 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 395 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 395 G C 0.115 175.078 174.900 0.106 0.000 1.357 395 G CA -0.107 45.056 45.100 0.105 0.000 0.866 395 G HN 0.094 nan 8.290 nan 0.000 0.548 396 D N 0.386 120.833 120.400 0.079 0.000 2.144 396 D HA 0.006 4.646 4.640 -0.000 0.000 0.199 396 D C 0.948 177.282 176.300 0.057 0.000 0.984 396 D CA 1.483 55.523 54.000 0.067 0.000 0.834 396 D CB -0.097 40.742 40.800 0.065 0.000 0.955 396 D HN 0.403 nan 8.370 nan 0.000 0.465 397 D N 0.692 121.128 120.400 0.060 0.000 2.558 397 D HA 0.180 4.820 4.640 -0.000 0.000 0.221 397 D C -0.006 176.301 176.300 0.012 0.000 1.143 397 D CA 0.072 54.094 54.000 0.037 0.000 1.010 397 D CB 0.026 40.851 40.800 0.041 0.000 1.068 397 D HN 0.030 nan 8.370 nan 0.000 0.511 398 S N -1.223 114.459 115.700 -0.030 0.000 2.611 398 S HA 0.594 5.064 4.470 -0.000 0.000 0.268 398 S C -1.019 173.493 174.600 -0.145 0.000 1.156 398 S CA -0.917 57.208 58.200 -0.125 0.000 0.817 398 S CB 1.733 64.846 63.200 -0.145 0.000 1.122 398 S HN -0.069 nan 8.310 nan 0.000 0.466 399 V N 1.677 121.453 119.914 -0.231 0.000 2.444 399 V HA 0.491 4.611 4.120 -0.000 0.000 0.294 399 V C -0.858 175.102 176.094 -0.223 0.000 1.022 399 V CA -0.598 61.607 62.300 -0.159 0.000 0.850 399 V CB 1.212 32.928 31.823 -0.178 0.000 0.992 399 V HN 0.809 nan 8.190 nan 0.000 0.426 400 L N 5.134 126.265 121.223 -0.154 0.000 2.272 400 L HA 0.590 4.929 4.340 -0.000 0.000 0.289 400 L C -0.167 176.491 176.870 -0.354 0.000 1.032 400 L CA -0.334 54.337 54.840 -0.283 0.000 0.810 400 L CB 1.368 43.361 42.059 -0.110 0.000 1.205 400 L HN 0.613 nan 8.230 nan 0.000 0.422 401 Q N 3.197 122.663 119.800 -0.556 0.000 2.316 401 Q HA 0.555 4.895 4.340 -0.000 0.000 0.264 401 Q C -1.502 174.101 176.000 -0.661 0.000 0.987 401 Q CA -0.432 55.118 55.803 -0.422 0.000 0.852 401 Q CB 2.437 31.044 28.738 -0.219 0.000 1.287 401 Q HN 0.399 nan 8.270 nan 0.000 0.448 402 F N 0.906 120.825 119.950 -0.052 0.000 2.532 402 F HA 0.367 4.893 4.527 -0.000 0.000 0.365 402 F C 0.851 176.624 175.800 -0.045 0.000 1.112 402 F CA -0.686 57.279 58.000 -0.058 0.000 1.082 402 F CB 1.305 40.268 39.000 -0.062 0.000 1.319 402 F HN 0.747 nan 8.300 nan 0.000 0.457 403 G N 1.558 110.402 108.800 0.073 0.000 2.572 403 G HA2 0.045 4.005 3.960 -0.000 0.000 0.214 403 G HA3 0.045 4.005 3.960 -0.000 0.000 0.214 403 G C 1.754 176.696 174.900 0.071 0.000 1.246 403 G CA 0.641 45.775 45.100 0.057 0.000 0.835 403 G HN 0.753 nan 8.290 nan 0.000 0.551 404 G N 0.643 109.478 108.800 0.059 0.000 2.432 404 G HA2 0.094 4.054 3.960 -0.000 0.000 0.219 404 G HA3 0.094 4.054 3.960 -0.000 0.000 0.219 404 G C 1.664 176.600 174.900 0.060 0.000 1.135 404 G CA 1.283 46.430 45.100 0.079 0.000 0.767 404 G HN 0.668 nan 8.290 nan 0.000 0.550 405 G N -0.667 108.115 108.800 -0.030 0.000 2.708 405 G HA2 0.129 4.089 3.960 -0.000 0.000 0.210 405 G HA3 0.129 4.089 3.960 -0.000 0.000 0.210 405 G C 1.394 176.308 174.900 0.024 0.000 1.141 405 G CA 1.563 46.535 45.100 -0.214 0.000 0.788 405 G HN 0.413 nan 8.290 nan 0.000 0.531 406 T N 0.014 114.644 114.554 0.127 0.000 3.138 406 T HA 0.098 4.447 4.350 -0.000 0.000 0.245 406 T C 1.922 176.720 174.700 0.164 0.000 0.982 406 T CA -0.177 62.001 62.100 0.130 0.000 1.134 406 T CB -0.011 68.902 68.868 0.075 0.000 1.032 406 T HN 0.057 nan 8.240 nan 0.000 0.442 407 L N 1.653 122.956 121.223 0.133 0.000 2.622 407 L HA 0.265 4.605 4.340 -0.000 0.000 0.233 407 L C 2.194 179.173 176.870 0.182 0.000 1.156 407 L CA 0.824 55.737 54.840 0.121 0.000 0.866 407 L CB -0.226 41.874 42.059 0.068 0.000 0.980 407 L HN 0.367 nan 8.230 nan 0.000 0.448 408 G N -3.031 105.944 108.800 0.292 0.000 3.126 408 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.224 408 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.224 408 G C 0.528 175.637 174.900 0.349 0.000 1.142 408 G CA -0.290 45.031 45.100 0.368 0.000 0.759 408 G HN 0.273 nan 8.290 nan 0.000 0.550 409 H N 2.034 121.242 119.070 0.230 0.000 2.815 409 H HA 0.092 4.648 4.556 -0.000 0.000 0.350 409 H C -1.045 174.253 175.328 -0.050 0.000 1.080 409 H CA -1.168 54.889 56.048 0.016 0.000 1.433 409 H CB 2.011 31.783 29.762 0.016 0.000 1.432 409 H HN 0.005 nan 8.280 nan 0.000 0.592 410 P HA -0.141 nan 4.420 nan 0.000 0.219 410 P C 0.696 178.258 177.300 0.437 0.000 1.146 410 P CA 1.112 64.250 63.100 0.064 0.000 0.808 410 P CB 0.075 31.705 31.700 -0.116 0.000 0.779 411 W N 0.413 121.923 121.300 0.350 0.000 3.278 411 W HA 0.487 5.147 4.660 0.000 0.000 0.308 411 W C 1.177 177.716 176.519 0.033 0.000 1.253 411 W CA 0.488 57.918 57.345 0.141 0.000 1.759 411 W CB -0.679 28.845 29.460 0.106 0.000 1.093 411 W HN 0.072 nan 8.180 nan 0.000 0.648 412 G N 0.693 109.640 108.800 0.245 0.000 2.483 412 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.521 412 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.521 412 G C 0.620 175.530 174.900 0.017 0.000 1.278 412 G CA -0.203 44.961 45.100 0.107 0.000 0.965 412 G HN -0.042 nan 8.290 nan 0.000 0.504 413 N N 0.031 118.726 118.700 -0.008 0.000 2.106 413 N HA 0.041 4.781 4.740 -0.000 0.000 0.188 413 N C 2.745 178.196 175.510 -0.099 0.000 1.029 413 N CA 2.559 55.582 53.050 -0.046 0.000 0.848 413 N CB -0.781 37.677 38.487 -0.048 0.000 1.007 413 N HN 1.085 nan 8.380 nan 0.000 0.423 414 A N 1.615 124.370 122.820 -0.108 0.000 1.865 414 A HA -0.069 4.251 4.320 -0.000 0.000 0.217 414 A C -0.181 177.321 177.584 -0.137 0.000 1.191 414 A CA 1.543 53.506 52.037 -0.124 0.000 0.623 414 A CB -1.602 17.330 19.000 -0.114 0.000 0.826 414 A HN 0.228 nan 8.150 nan 0.000 0.444 415 P HA -0.051 nan 4.420 nan 0.000 0.218 415 P C 1.626 178.589 177.300 -0.561 0.000 1.149 415 P CA 1.547 64.484 63.100 -0.271 0.000 0.817 415 P CB -0.278 31.323 31.700 -0.165 0.000 0.785 416 G N 0.045 108.526 108.800 -0.531 0.000 2.408 416 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 416 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 416 G C 1.588 176.395 174.900 -0.154 0.000 1.150 416 G CA 0.836 45.742 45.100 -0.323 0.000 0.776 416 G HN 0.299 nan 8.290 nan 0.000 0.542 417 A N 0.219 122.954 122.820 -0.141 0.000 1.897 417 A HA 0.144 4.463 4.320 -0.000 0.000 0.215 417 A C 2.574 180.089 177.584 -0.115 0.000 1.181 417 A CA 1.590 53.563 52.037 -0.106 0.000 0.620 417 A CB -0.616 18.331 19.000 -0.089 0.000 0.821 417 A HN 0.221 nan 8.150 nan 0.000 0.443 418 V N 0.198 120.040 119.914 -0.120 0.000 2.332 418 V HA -0.305 3.815 4.120 -0.000 0.000 0.248 418 V C 3.050 179.076 176.094 -0.114 0.000 1.055 418 V CA 1.986 64.231 62.300 -0.092 0.000 1.038 418 V CB -1.346 30.435 31.823 -0.070 0.000 0.651 418 V HN 0.621 nan 8.190 nan 0.000 0.450 419 A N 0.630 123.361 122.820 -0.148 0.000 1.865 419 A HA -0.317 4.003 4.320 -0.000 0.000 0.217 419 A C 2.038 179.508 177.584 -0.190 0.000 1.191 419 A CA 2.604 54.549 52.037 -0.153 0.000 0.623 419 A CB -0.910 18.055 19.000 -0.058 0.000 0.826 419 A HN 0.691 nan 8.150 nan 0.000 0.444 420 N N -1.277 117.289 118.700 -0.225 0.000 2.188 420 N HA -0.144 4.595 4.740 -0.000 0.000 0.184 420 N C 1.926 177.321 175.510 -0.192 0.000 1.018 420 N CA 1.338 54.186 53.050 -0.335 0.000 0.858 420 N CB -0.146 38.035 38.487 -0.511 0.000 0.989 420 N HN 0.442 nan 8.380 nan 0.000 0.426 421 R N 1.034 121.464 120.500 -0.117 0.000 2.075 421 R HA 0.023 4.363 4.340 -0.000 0.000 0.232 421 R C 1.671 177.955 176.300 -0.026 0.000 1.126 421 R CA 0.993 57.060 56.100 -0.054 0.000 0.963 421 R CB -0.667 29.610 30.300 -0.038 0.000 0.858 421 R HN 0.029 nan 8.270 nan 0.000 0.435 422 V N 0.722 120.614 119.914 -0.037 0.000 2.307 422 V HA -0.142 3.977 4.120 -0.000 0.000 0.245 422 V C 2.324 178.399 176.094 -0.031 0.000 1.045 422 V CA 1.814 64.121 62.300 0.011 0.000 1.024 422 V CB -0.855 30.937 31.823 -0.053 0.000 0.651 422 V HN 0.528 nan 8.190 nan 0.000 0.449 423 A N -0.203 122.545 122.820 -0.120 0.000 1.908 423 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 423 A C 2.178 179.735 177.584 -0.045 0.000 1.181 423 A CA 2.330 54.291 52.037 -0.128 0.000 0.627 423 A CB -0.580 18.302 19.000 -0.198 0.000 0.818 423 A HN 0.474 nan 8.150 nan 0.000 0.445 424 L N -0.181 121.025 121.223 -0.027 0.000 2.027 424 L HA -0.101 4.239 4.340 -0.000 0.000 0.206 424 L C 2.220 179.116 176.870 0.042 0.000 1.074 424 L CA 2.313 57.167 54.840 0.023 0.000 0.745 424 L CB -0.534 41.545 42.059 0.033 0.000 0.898 424 L HN 0.491 nan 8.230 nan 0.000 0.433 425 E N -0.365 119.864 120.200 0.048 0.000 2.204 425 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 425 E C 2.123 178.773 176.600 0.085 0.000 0.990 425 E CA 0.905 57.343 56.400 0.065 0.000 0.821 425 E CB -0.234 29.509 29.700 0.071 0.000 0.750 425 E HN 0.675 nan 8.360 nan 0.000 0.477 426 A N 0.770 123.652 122.820 0.103 0.000 1.902 426 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 426 A C 2.411 180.044 177.584 0.083 0.000 1.181 426 A CA 1.138 53.249 52.037 0.123 0.000 0.623 426 A CB -0.740 18.332 19.000 0.121 0.000 0.818 426 A HN 0.347 nan 8.150 nan 0.000 0.443 427 C N -1.430 117.908 119.300 0.062 0.000 2.440 427 C HA -0.016 4.444 4.460 -0.000 0.000 0.278 427 C C 2.725 177.750 174.990 0.059 0.000 1.295 427 C CA 0.858 59.912 59.018 0.061 0.000 1.738 427 C CB -1.197 26.580 27.740 0.061 0.000 1.987 427 C HN 0.445 nan 8.230 nan 0.000 0.492 428 V N 0.634 120.583 119.914 0.058 0.000 2.295 428 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 428 V C 2.569 178.692 176.094 0.048 0.000 1.049 428 V CA 2.236 64.567 62.300 0.053 0.000 1.024 428 V CB -0.856 30.998 31.823 0.051 0.000 0.648 428 V HN 0.622 nan 8.190 nan 0.000 0.447 429 Q N -0.178 119.652 119.800 0.050 0.000 2.061 429 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 429 Q C 2.263 178.289 176.000 0.043 0.000 0.984 429 Q CA 2.224 58.053 55.803 0.043 0.000 0.846 429 Q CB -0.312 28.453 28.738 0.044 0.000 0.902 429 Q HN 0.623 nan 8.270 nan 0.000 0.421 430 A N 1.507 124.358 122.820 0.052 0.000 1.865 430 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 430 A C 2.162 179.772 177.584 0.043 0.000 1.191 430 A CA 1.744 53.811 52.037 0.050 0.000 0.623 430 A CB -0.847 18.188 19.000 0.058 0.000 0.826 430 A HN 0.496 nan 8.150 nan 0.000 0.444 431 R N 0.033 120.560 120.500 0.044 0.000 2.083 431 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 431 R C 1.894 178.214 176.300 0.033 0.000 1.137 431 R CA 1.980 58.104 56.100 0.039 0.000 0.951 431 R CB -0.603 29.723 30.300 0.042 0.000 0.851 431 R HN 0.723 nan 8.270 nan 0.000 0.434 432 N N 0.004 118.724 118.700 0.033 0.000 2.289 432 N HA -0.153 4.587 4.740 -0.000 0.000 0.184 432 N C 1.102 176.626 175.510 0.023 0.000 1.016 432 N CA 1.036 54.103 53.050 0.028 0.000 0.872 432 N CB 0.018 38.521 38.487 0.027 0.000 0.973 432 N HN 0.449 nan 8.380 nan 0.000 0.433 433 E N -0.566 119.650 120.200 0.025 0.000 2.481 433 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 433 E C 1.052 177.665 176.600 0.021 0.000 1.047 433 E CA 0.187 56.599 56.400 0.022 0.000 0.867 433 E CB 0.357 30.071 29.700 0.023 0.000 0.858 433 E HN 0.470 nan 8.360 nan 0.000 0.513 434 G N 1.452 110.266 108.800 0.024 0.000 2.231 434 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.206 434 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.206 434 G C 0.270 175.184 174.900 0.025 0.000 0.996 434 G CA -0.485 44.628 45.100 0.022 0.000 0.645 434 G HN 0.052 nan 8.290 nan 0.000 0.498 435 R N 0.912 121.430 120.500 0.029 0.000 2.694 435 R HA 0.302 4.642 4.340 -0.000 0.000 0.268 435 R C -0.747 175.572 176.300 0.033 0.000 1.061 435 R CA -0.120 56.000 56.100 0.032 0.000 1.133 435 R CB 0.513 30.837 30.300 0.039 0.000 1.020 435 R HN 0.221 nan 8.270 nan 0.000 0.475 436 D N 3.043 123.463 120.400 0.032 0.000 2.428 436 D HA 0.061 4.701 4.640 -0.000 0.000 0.221 436 D C 1.231 177.554 176.300 0.038 0.000 1.123 436 D CA -0.176 53.843 54.000 0.031 0.000 0.869 436 D CB 0.773 41.589 40.800 0.026 0.000 1.032 436 D HN 0.417 nan 8.370 nan 0.000 0.506 437 L N 2.955 124.203 121.223 0.041 0.000 2.187 437 L HA -0.199 4.141 4.340 -0.000 0.000 0.213 437 L C 2.377 179.279 176.870 0.053 0.000 1.100 437 L CA 1.216 56.087 54.840 0.051 0.000 0.765 437 L CB -0.310 41.780 42.059 0.053 0.000 0.904 437 L HN 0.409 nan 8.230 nan 0.000 0.437 438 A N 0.182 123.026 122.820 0.040 0.000 1.898 438 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 438 A C 2.401 180.008 177.584 0.038 0.000 1.181 438 A CA 1.371 53.430 52.037 0.036 0.000 0.620 438 A CB -0.271 18.742 19.000 0.022 0.000 0.819 438 A HN 0.328 nan 8.150 nan 0.000 0.442 439 R N -0.509 120.012 120.500 0.035 0.000 2.105 439 R HA 0.061 4.401 4.340 -0.000 0.000 0.214 439 R C 1.184 177.510 176.300 0.043 0.000 1.091 439 R CA 1.100 57.220 56.100 0.033 0.000 1.007 439 R CB -0.037 30.279 30.300 0.026 0.000 0.912 439 R HN 0.572 nan 8.270 nan 0.000 0.450 440 E N 0.265 120.495 120.200 0.048 0.000 2.437 440 E HA 0.081 4.431 4.350 -0.000 0.000 0.189 440 E C 1.416 178.063 176.600 0.078 0.000 1.054 440 E CA 0.087 56.522 56.400 0.058 0.000 0.874 440 E CB 0.585 30.317 29.700 0.053 0.000 1.011 440 E HN 0.386 nan 8.360 nan 0.000 0.474 441 G N 2.708 111.560 108.800 0.085 0.000 2.586 441 G HA2 -0.371 3.589 3.960 -0.000 0.000 0.218 441 G HA3 -0.371 3.589 3.960 -0.000 0.000 0.218 441 G C 1.320 176.318 174.900 0.163 0.000 1.216 441 G CA 1.192 46.361 45.100 0.115 0.000 0.786 441 G HN 0.291 nan 8.290 nan 0.000 0.583 442 N N -0.311 118.501 118.700 0.186 0.000 2.309 442 N HA -0.054 4.686 4.740 -0.000 0.000 0.182 442 N C 2.167 177.820 175.510 0.239 0.000 1.018 442 N CA 1.180 54.408 53.050 0.296 0.000 0.876 442 N CB -0.088 38.510 38.487 0.184 0.000 0.972 442 N HN 0.271 nan 8.380 nan 0.000 0.434 443 T N 1.166 115.805 114.554 0.141 0.000 2.812 443 T HA 0.011 4.361 4.350 -0.000 0.000 0.264 443 T C 1.964 176.722 174.700 0.097 0.000 1.042 443 T CA 0.656 62.821 62.100 0.108 0.000 1.140 443 T CB -0.097 68.817 68.868 0.077 0.000 0.870 443 T HN 0.164 nan 8.240 nan 0.000 0.445 444 I N 0.896 121.521 120.570 0.091 0.000 2.179 444 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 444 I C 2.177 178.314 176.117 0.032 0.000 1.088 444 I CA 0.947 62.290 61.300 0.071 0.000 1.357 444 I CB -0.354 37.688 38.000 0.070 0.000 1.051 444 I HN 0.178 nan 8.210 nan 0.000 0.409 445 I N 0.472 121.049 120.570 0.012 0.000 2.202 445 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 445 I C 2.675 178.697 176.117 -0.158 0.000 1.091 445 I CA 1.456 62.669 61.300 -0.144 0.000 1.368 445 I CB -1.230 36.598 38.000 -0.286 0.000 1.058 445 I HN 0.213 nan 8.210 nan 0.000 0.410 446 R N 1.406 121.914 120.500 0.012 0.000 2.091 446 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 446 R C 2.140 178.432 176.300 -0.013 0.000 1.136 446 R CA 1.556 57.686 56.100 0.050 0.000 0.959 446 R CB -0.286 30.106 30.300 0.154 0.000 0.856 446 R HN 0.424 nan 8.270 nan 0.000 0.437 447 E N -0.685 119.525 120.200 0.016 0.000 2.077 447 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 447 E C 1.902 178.492 176.600 -0.018 0.000 0.989 447 E CA 1.223 57.650 56.400 0.046 0.000 0.800 447 E CB -0.192 29.571 29.700 0.106 0.000 0.746 447 E HN 0.483 nan 8.360 nan 0.000 0.452 448 A N 1.315 124.055 122.820 -0.133 0.000 1.969 448 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 448 A C 2.419 179.495 177.584 -0.847 0.000 1.169 448 A CA 1.874 53.595 52.037 -0.527 0.000 0.635 448 A CB -1.052 17.703 19.000 -0.408 0.000 0.810 448 A HN 0.402 nan 8.150 nan 0.000 0.445 449 T N -2.312 111.965 114.554 -0.463 0.000 2.946 449 T HA -0.112 4.238 4.350 -0.000 0.000 0.271 449 T C 1.528 176.048 174.700 -0.302 0.000 1.104 449 T CA 1.425 63.295 62.100 -0.383 0.000 1.114 449 T CB -0.238 68.489 68.868 -0.235 0.000 0.867 449 T HN 0.299 nan 8.240 nan 0.000 0.513 450 K N 0.779 121.033 120.400 -0.243 0.000 2.288 450 K HA 0.055 4.375 4.320 -0.000 0.000 0.201 450 K C 1.708 178.319 176.600 0.018 0.000 1.048 450 K CA 0.836 57.088 56.287 -0.058 0.000 0.956 450 K CB -0.241 32.301 32.500 0.069 0.000 0.746 450 K HN 0.886 nan 8.250 nan 0.000 0.461 451 W N -0.837 120.462 121.300 -0.003 0.000 2.714 451 W HA 0.390 5.050 4.660 -0.000 0.000 0.353 451 W C -0.138 176.383 176.519 0.003 0.000 0.999 451 W CA -0.518 56.829 57.345 0.003 0.000 1.629 451 W CB -0.020 29.441 29.460 0.001 0.000 1.106 451 W HN -0.153 nan 8.180 nan 0.000 0.545 452 S N 2.711 118.140 115.700 -0.452 0.000 2.622 452 S HA 0.401 4.871 4.470 -0.000 0.000 0.283 452 S C -1.636 172.837 174.600 -0.212 0.000 1.197 452 S CA -1.205 56.781 58.200 -0.357 0.000 1.146 452 S CB 1.282 64.031 63.200 -0.751 0.000 1.007 452 S HN -0.288 nan 8.310 nan 0.000 0.478 453 P HA -0.072 nan 4.420 nan 0.000 0.218 453 P C 0.906 178.120 177.300 -0.144 0.000 1.148 453 P CA 1.031 64.151 63.100 0.033 0.000 0.822 453 P CB 0.243 32.100 31.700 0.261 0.000 0.784 454 E N -0.695 119.424 120.200 -0.134 0.000 2.051 454 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 454 E C 1.835 178.277 176.600 -0.264 0.000 0.991 454 E CA 0.794 57.028 56.400 -0.277 0.000 0.799 454 E CB -1.247 28.374 29.700 -0.131 0.000 0.748 454 E HN 0.101 nan 8.360 nan 0.000 0.449 455 L N 0.623 121.680 121.223 -0.278 0.000 2.046 455 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 455 L C 2.047 178.710 176.870 -0.345 0.000 1.077 455 L CA 2.040 56.691 54.840 -0.315 0.000 0.747 455 L CB -1.046 40.771 42.059 -0.404 0.000 0.896 455 L HN 0.116 nan 8.230 nan 0.000 0.432 456 A N -0.225 122.398 122.820 -0.327 0.000 1.892 456 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 456 A C 2.464 179.860 177.584 -0.313 0.000 1.188 456 A CA 2.433 54.306 52.037 -0.273 0.000 0.631 456 A CB -1.345 17.541 19.000 -0.190 0.000 0.822 456 A HN 0.600 nan 8.150 nan 0.000 0.447 457 A N -0.647 121.901 122.820 -0.452 0.000 1.972 457 A HA 0.206 4.526 4.320 -0.000 0.000 0.219 457 A C 2.448 179.611 177.584 -0.701 0.000 1.169 457 A CA 2.008 53.686 52.037 -0.599 0.000 0.635 457 A CB -0.844 17.550 19.000 -1.010 0.000 0.810 457 A HN 1.092 nan 8.150 nan 0.000 0.446 458 A N -1.189 121.229 122.820 -0.670 0.000 1.929 458 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 458 A C 2.256 179.625 177.584 -0.360 0.000 1.176 458 A CA 1.426 53.105 52.037 -0.596 0.000 0.628 458 A CB -1.186 17.714 19.000 -0.167 0.000 0.816 458 A HN 0.561 nan 8.150 nan 0.000 0.444 459 C N -0.333 118.795 119.300 -0.287 0.000 2.413 459 C HA -0.131 4.329 4.460 -0.000 0.000 0.276 459 C C 2.661 177.708 174.990 0.095 0.000 1.248 459 C CA 1.333 60.286 59.018 -0.108 0.000 1.742 459 C CB -1.291 26.329 27.740 -0.200 0.000 2.017 459 C HN 0.695 nan 8.230 nan 0.000 0.481 460 E N 0.168 120.302 120.200 -0.110 0.000 2.058 460 E HA -0.202 4.147 4.350 -0.000 0.000 0.194 460 E C 2.096 178.565 176.600 -0.219 0.000 0.997 460 E CA 1.597 57.922 56.400 -0.125 0.000 0.801 460 E CB -0.236 29.358 29.700 -0.178 0.000 0.746 460 E HN 0.492 nan 8.360 nan 0.000 0.450 461 V N 0.255 119.891 119.914 -0.463 0.000 2.343 461 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 461 V C 1.400 177.132 176.094 -0.603 0.000 1.051 461 V CA 1.347 63.228 62.300 -0.699 0.000 1.036 461 V CB -0.342 30.692 31.823 -1.316 0.000 0.654 461 V HN 0.442 nan 8.190 nan 0.000 0.451 462 W N -0.368 120.858 121.300 -0.123 0.000 3.005 462 W HA 0.332 4.992 4.660 -0.000 0.000 0.374 462 W C 1.898 178.337 176.519 -0.134 0.000 1.076 462 W CA -0.785 56.410 57.345 -0.250 0.000 1.794 462 W CB -0.333 28.740 29.460 -0.644 0.000 1.113 462 W HN 0.279 nan 8.180 nan 0.000 0.584 463 K N 1.520 122.007 120.400 0.146 0.000 2.107 463 K HA -0.227 4.093 4.320 -0.000 0.000 0.211 463 K C 1.137 177.609 176.600 -0.213 0.000 1.049 463 K CA 1.906 58.133 56.287 -0.099 0.000 0.927 463 K CB 0.217 32.664 32.500 -0.089 0.000 0.714 463 K HN -0.116 nan 8.250 nan 0.000 0.452 464 E N 0.418 120.552 120.200 -0.111 0.000 2.444 464 E HA 0.046 4.396 4.350 -0.000 0.000 0.191 464 E C -0.240 176.313 176.600 -0.079 0.000 1.041 464 E CA 0.041 56.373 56.400 -0.113 0.000 0.883 464 E CB 0.377 30.019 29.700 -0.097 0.000 1.024 464 E HN 0.254 nan 8.360 nan 0.000 0.470 465 I N 1.675 122.231 120.570 -0.024 0.000 2.325 465 I HA 0.252 4.421 4.170 -0.000 0.000 0.291 465 I C 0.417 176.546 176.117 0.021 0.000 1.019 465 I CA -0.188 61.094 61.300 -0.029 0.000 1.302 465 I CB 0.354 38.382 38.000 0.047 0.000 1.401 465 I HN -0.270 nan 8.210 nan 0.000 0.485 466 K N 5.427 125.702 120.400 -0.209 0.000 2.482 466 K HA 0.627 4.947 4.320 -0.000 0.000 0.257 466 K C -1.580 174.814 176.600 -0.344 0.000 0.969 466 K CA -0.625 55.607 56.287 -0.091 0.000 0.842 466 K CB 2.742 35.222 32.500 -0.033 0.000 1.359 466 K HN 0.186 nan 8.250 nan 0.000 0.441 467 F N 1.561 121.631 119.950 0.200 0.000 2.513 467 F HA 0.303 4.830 4.527 -0.000 0.000 0.358 467 F C -0.478 175.447 175.800 0.208 0.000 1.118 467 F CA -0.564 57.584 58.000 0.247 0.000 1.037 467 F CB 1.630 40.781 39.000 0.252 0.000 1.276 467 F HN 0.266 nan 8.300 nan 0.000 0.446 468 E N 3.956 124.250 120.200 0.157 0.000 2.255 468 E HA 0.582 4.932 4.350 -0.000 0.000 0.256 468 E C -1.372 175.118 176.600 -0.184 0.000 0.887 468 E CA -0.540 55.892 56.400 0.054 0.000 0.782 468 E CB 2.011 31.685 29.700 -0.043 0.000 1.214 468 E HN 0.307 nan 8.360 nan 0.000 0.417 469 F N 1.517 121.516 119.950 0.081 0.000 2.643 469 F HA 0.431 4.958 4.527 -0.000 0.000 0.314 469 F C -1.941 173.890 175.800 0.052 0.000 1.096 469 F CA -1.937 56.101 58.000 0.063 0.000 0.953 469 F CB 0.820 39.862 39.000 0.070 0.000 1.345 469 F HN 0.267 nan 8.300 nan 0.000 0.468 470 P HA 0.428 nan 4.420 nan 0.000 0.271 470 P C -1.129 176.257 177.300 0.145 0.000 1.218 470 P CA -0.326 62.864 63.100 0.150 0.000 0.780 470 P CB 0.872 32.641 31.700 0.115 0.000 0.901 471 A N 2.691 125.576 122.820 0.109 0.000 2.316 471 A HA 0.411 4.731 4.320 -0.000 0.000 0.284 471 A C 1.214 178.846 177.584 0.080 0.000 1.115 471 A CA -0.543 51.551 52.037 0.094 0.000 0.812 471 A CB 0.408 19.463 19.000 0.092 0.000 1.064 471 A HN 0.487 nan 8.150 nan 0.000 0.489 472 M N 0.319 119.961 119.600 0.070 0.000 2.466 472 M HA 0.085 4.565 4.480 -0.000 0.000 0.265 472 M C 0.174 176.524 176.300 0.082 0.000 1.122 472 M CA 0.873 56.211 55.300 0.064 0.000 1.157 472 M CB -1.122 31.505 32.600 0.045 0.000 1.352 472 M HN 0.833 nan 8.290 nan 0.000 0.464 473 D N 2.052 122.513 120.400 0.102 0.000 2.427 473 D HA 0.308 4.948 4.640 -0.000 0.000 0.226 473 D C -0.654 175.738 176.300 0.154 0.000 1.076 473 D CA -0.052 54.035 54.000 0.146 0.000 0.849 473 D CB 1.041 41.947 40.800 0.176 0.000 1.052 473 D HN 0.157 nan 8.370 nan 0.000 0.515 474 T N -0.187 114.445 114.554 0.129 0.000 2.916 474 T HA 0.540 4.889 4.350 -0.000 0.000 0.292 474 T C 0.403 175.161 174.700 0.095 0.000 1.064 474 T CA -0.871 61.291 62.100 0.104 0.000 1.011 474 T CB 0.981 69.894 68.868 0.074 0.000 1.152 474 T HN 0.097 nan 8.240 nan 0.000 0.510 475 V N 0.000 119.956 119.914 0.069 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 475 V CA 0.000 62.329 62.300 0.048 0.000 1.235 475 V CB 0.000 31.832 31.823 0.015 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556