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_H 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 4.459 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 61.419 63.200 0.048 0.000 1.004 10 S HN 2.202 nan 8.310 nan 0.000 0.280 11 V N 3.251 123.192 119.914 0.046 0.000 2.999 11 V HA 0.516 4.636 4.120 0.000 0.000 0.307 11 V C 1.449 177.585 176.094 0.070 0.000 1.084 11 V CA 0.550 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 4.028 112.866 108.800 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 -0.752 174.244 174.900 0.160 0.000 1.230 12 G CA -0.093 45.064 45.100 0.095 0.000 0.883 12 G HN 0.947 nan 8.290 nan 0.000 0.573 13 F N 0.151 120.121 119.950 0.033 0.000 2.436 13 F HA 0.699 5.226 4.527 -0.000 0.000 0.340 13 F C -0.191 175.626 175.800 0.028 0.000 1.113 13 F CA -1.726 56.304 58.000 0.051 0.000 1.022 13 F CB 2.132 41.189 39.000 0.094 0.000 1.128 13 F HN 0.333 nan 8.300 nan 0.000 0.466 14 K N 5.422 125.499 120.400 -0.539 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 -0.710 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 4.948 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 0.855 52.611 52.037 -0.467 0.000 0.784 15 A CB -0.459 18.374 19.000 -0.279 0.000 1.038 15 A HN 1.444 nan 8.150 nan 0.000 0.501 16 G N -1.932 106.788 108.800 -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 0.036 119.909 119.914 -0.069 0.000 2.509 17 V HA 0.938 5.058 4.120 0.000 0.000 0.284 17 V C 0.210 176.261 176.094 -0.072 0.000 1.047 17 V CA 0.381 62.634 62.300 -0.078 0.000 0.952 17 V CB 1.198 33.038 31.823 0.028 0.000 0.988 17 V HN 1.333 nan 8.190 nan 0.000 0.469 18 K N 2.930 123.267 120.400 -0.105 0.000 2.480 18 K HA 0.568 4.888 4.320 0.000 0.000 0.258 18 K C -1.233 175.287 176.600 -0.133 0.000 0.990 18 K CA -0.933 55.303 56.287 -0.085 0.000 0.857 18 K CB 1.671 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 -0.003 4.637 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 54.241 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 1.296 121.632 120.300 0.060 0.000 2.293 20 Y HA -0.181 4.369 4.550 -0.000 0.000 0.291 20 Y C 2.241 178.251 175.900 0.185 0.000 1.137 20 Y CA 1.103 59.286 58.100 0.139 0.000 1.202 20 Y CB -0.303 38.177 38.460 0.032 0.000 0.990 20 Y HN 0.464 nan 8.280 nan 0.000 0.537 21 K N 0.291 120.841 120.400 0.250 0.000 2.211 21 K HA -0.146 4.174 4.320 0.000 0.000 0.204 21 K C 1.617 178.331 176.600 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 31.850 32.500 0.122 0.000 0.728 21 K HN 0.317 nan 8.250 nan 0.000 0.452 22 L N 1.054 122.355 121.223 0.131 0.000 2.131 22 L HA -0.112 4.228 4.340 0.000 0.000 0.210 22 L C 1.592 178.480 176.870 0.030 0.000 1.092 22 L CA 1.468 56.351 54.840 0.072 0.000 0.759 22 L CB -0.558 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 -3.082 111.485 114.554 0.022 0.000 2.978 23 T HA 0.054 4.404 4.350 0.000 0.000 0.248 23 T C 1.043 175.513 174.700 -0.383 0.000 1.018 23 T CA 0.154 62.123 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 0.141 nan 8.240 nan 0.000 0.485 24 Y N -0.161 120.198 120.300 0.099 0.000 2.467 24 Y HA 0.413 4.964 4.550 0.002 0.000 0.250 24 Y C -0.002 175.973 175.900 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 38.915 38.460 0.072 0.000 1.146 24 Y HN 0.154 nan 8.280 nan 0.000 0.524 25 Y N 0.916 121.276 120.300 0.100 0.000 2.342 25 Y HA 0.504 5.055 4.550 0.001 0.000 0.338 25 Y C -0.384 175.549 175.900 0.055 0.000 0.965 25 Y CA -1.344 56.798 58.100 0.069 0.000 1.159 25 Y CB 1.182 39.671 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 -0.265 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 0.773 69.589 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 0.897 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 -1.404 118.796 120.200 0.000 0.000 2.447 28 E HA -0.035 4.315 4.350 0.000 0.000 0.195 28 E C 0.431 177.072 176.600 0.068 0.000 1.028 28 E CA -0.385 56.034 56.400 0.031 0.000 0.876 28 E CB -0.409 29.293 29.700 0.003 0.000 0.885 28 E HN 0.331 nan 8.360 nan 0.000 0.500 29 Y N 2.702 122.986 120.300 -0.027 0.000 2.712 29 Y HA -0.080 4.469 4.550 -0.001 0.000 0.333 29 Y C 0.195 176.032 175.900 -0.106 0.000 1.225 29 Y CA 0.340 58.405 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 3.748 123.503 120.200 -0.741 0.000 2.156 30 E HA 0.191 4.541 4.350 0.000 0.000 0.279 30 E C -0.429 175.498 176.600 -1.121 0.000 0.965 30 E CA -0.709 55.301 56.400 -0.649 0.000 0.789 30 E CB 0.846 30.304 29.700 -0.405 0.000 1.098 30 E HN 0.720 nan 8.360 nan 0.000 0.397 31 T N 1.008 115.096 114.554 -0.777 0.000 2.918 31 T HA 0.299 4.649 4.350 0.000 0.000 0.302 31 T C 0.395 174.887 174.700 -0.346 0.000 1.045 31 T CA -0.565 61.193 62.100 -0.571 0.000 1.114 31 T CB 0.475 69.123 68.868 -0.367 0.000 0.965 31 T HN 0.243 nan 8.240 nan 0.000 0.540 32 L N 1.872 122.985 121.223 -0.184 0.000 2.399 32 L HA 0.342 4.682 4.340 0.000 0.000 0.265 32 L C 1.114 177.949 176.870 -0.058 0.000 1.089 32 L CA -0.975 53.804 54.840 -0.102 0.000 0.802 32 L CB 0.611 42.652 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 1.601 177.895 176.300 -0.010 0.000 0.986 33 D CA 1.020 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 -2.801 111.755 114.554 0.004 0.000 3.069 34 T HA 0.066 4.416 4.350 0.000 0.000 0.252 34 T C 0.501 175.223 174.700 0.036 0.000 1.053 34 T CA -0.526 61.589 62.100 0.026 0.000 0.964 34 T CB 0.545 69.435 68.868 0.038 0.000 1.005 34 T HN -0.254 nan 8.240 nan 0.000 0.532 35 D N 1.516 121.937 120.400 0.036 0.000 2.345 35 D HA 0.395 5.035 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 -0.531 53.513 54.000 0.073 0.000 0.894 35 D CB 0.842 41.696 40.800 0.088 0.000 1.203 35 D HN 0.160 nan 8.370 nan 0.000 0.430 36 I N 2.411 123.023 120.570 0.071 0.000 2.342 36 I HA 0.161 4.331 4.170 0.000 0.000 0.291 36 I C -0.120 176.051 176.117 0.091 0.000 1.010 36 I CA -0.152 61.124 61.300 -0.038 0.000 1.308 36 I CB 0.634 38.514 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 -0.090 176.708 176.870 -0.121 0.000 1.022 37 L CA -0.770 54.023 54.840 -0.078 0.000 0.812 37 L CB 1.578 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 1.875 124.813 122.820 0.198 0.000 2.393 38 A HA 0.860 5.180 4.320 0.000 0.000 0.306 38 A C -0.792 176.908 177.584 0.192 0.000 1.050 38 A CA -0.540 51.581 52.037 0.140 0.000 0.724 38 A CB 1.768 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 1.904 124.718 122.820 -0.011 0.000 2.277 39 A HA 0.713 5.033 4.320 0.000 0.000 0.318 39 A C -1.115 176.192 177.584 -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 18.377 19.000 -0.618 0.000 1.158 39 A HN 0.607 nan 8.150 nan 0.000 0.514 40 F N 1.190 120.990 119.950 -0.250 0.000 2.421 40 F HA 0.496 5.023 4.527 -0.000 0.000 0.337 40 F C 0.998 176.679 175.800 -0.200 0.000 1.105 40 F CA -0.331 57.554 58.000 -0.193 0.000 1.049 40 F CB 1.654 40.562 39.000 -0.153 0.000 1.139 40 F HN 0.581 nan 8.300 nan 0.000 0.479 41 R N 3.614 124.135 120.500 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 0.359 30.662 30.300 0.004 0.000 1.121 41 R HN 0.540 nan 8.270 nan 0.000 0.486 42 V N 3.147 123.082 119.914 0.034 0.000 2.439 42 V HA 0.279 4.399 4.120 0.000 0.000 0.282 42 V C -0.036 176.099 176.094 0.069 0.000 1.039 42 V CA -0.513 61.794 62.300 0.013 0.000 0.913 42 V CB 1.804 33.620 31.823 -0.011 0.000 0.983 42 V HN 0.704 nan 8.190 nan 0.000 0.460 43 S N 6.329 122.053 115.700 0.040 0.000 2.532 43 S HA 0.449 4.920 4.470 0.000 0.000 0.256 43 S C -2.601 172.028 174.600 0.049 0.000 1.298 43 S CA -0.977 57.255 58.200 0.054 0.000 1.166 43 S CB 1.182 64.407 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 -0.599 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 1.215 121.018 119.800 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 -1.532 54.276 55.803 0.009 0.000 0.896 45 Q CB -0.721 28.019 28.738 0.003 0.000 1.241 45 Q HN 0.318 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 1.076 64.181 63.100 0.009 0.000 0.765 46 P CB 0.346 32.051 31.700 0.008 0.000 0.823 47 G N 1.176 109.975 108.800 -0.003 0.000 2.195 47 G HA2 -0.199 3.761 3.960 0.000 0.000 0.246 47 G HA3 -0.199 3.761 3.960 0.000 0.000 0.246 47 G C -0.046 174.840 174.900 -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 3.698 123.592 119.914 -0.032 0.000 2.347 48 V HA 0.523 4.643 4.120 0.000 0.000 0.280 48 V C -1.513 174.534 176.094 -0.080 0.000 1.021 48 V CA -1.433 60.832 62.300 -0.057 0.000 0.847 48 V CB 1.746 33.530 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 61.248 63.100 -0.164 0.000 0.794 49 P CB 0.977 32.590 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 1.809 64.521 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 -0.780 119.107 120.200 -0.522 0.000 2.130 51 E HA -0.226 4.124 4.350 0.000 0.000 0.196 51 E C 2.023 178.393 176.600 -0.384 0.000 0.998 51 E CA 1.431 57.434 56.400 -0.661 0.000 0.806 51 E CB -0.642 28.599 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 0.006 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 1.057 57.377 56.400 -0.133 0.000 0.814 52 E CB -0.239 29.411 29.700 -0.082 0.000 0.762 52 E HN 0.207 nan 8.360 nan 0.000 0.460 53 A N 0.458 123.141 122.820 -0.227 0.000 1.865 53 A HA -0.075 4.245 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 1.912 53.796 52.037 -0.254 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 -0.654 107.993 108.800 -0.255 0.000 2.418 54 G HA2 -0.009 3.952 3.960 0.000 0.000 0.217 54 G HA3 -0.009 3.952 3.960 0.000 0.000 0.217 54 G C 1.740 176.537 174.900 -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 1.045 123.790 122.820 -0.124 0.000 1.933 55 A HA 0.286 4.606 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 2.155 54.178 52.037 -0.023 0.000 0.628 55 A CB -0.635 18.442 19.000 0.129 0.000 0.814 55 A HN 0.769 nan 8.150 nan 0.000 0.444 56 A N -0.689 121.857 122.820 -0.458 0.000 1.969 56 A HA 0.076 4.396 4.320 0.000 0.000 0.218 56 A C 2.193 179.425 177.584 -0.587 0.000 1.169 56 A CA 1.583 53.034 52.037 -0.976 0.000 0.635 56 A CB -0.704 17.673 19.000 -1.038 0.000 0.810 56 A HN 0.336 nan 8.150 nan 0.000 0.445 57 V N -0.212 119.473 119.914 -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 -1.111 30.386 31.823 -0.544 0.000 0.651 57 V HN 0.590 nan 8.190 nan 0.000 0.449 58 A N -0.211 122.486 122.820 -0.206 0.000 1.933 58 A HA -0.070 4.250 4.320 0.000 0.000 0.218 58 A C 2.377 179.828 177.584 -0.222 0.000 1.175 58 A CA 1.998 53.965 52.037 -0.117 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 -0.088 122.404 122.820 -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 -0.389 0.000 1.195 59 A CA 1.941 53.411 52.037 -0.946 0.000 0.611 59 A CB -0.511 17.778 19.000 -1.185 0.000 0.835 59 A HN 0.500 nan 8.150 nan 0.000 0.443 60 E N 0.698 120.770 120.200 -0.212 0.000 2.418 60 E HA -0.073 4.277 4.350 0.000 0.000 0.197 60 E C 1.590 178.185 176.600 -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 -1.557 114.171 115.700 0.047 0.000 2.577 61 S HA 0.162 4.633 4.470 0.000 0.000 0.219 61 S C 1.158 175.880 174.600 0.204 0.000 0.962 61 S CA 0.242 58.533 58.200 0.152 0.000 0.921 61 S CB 0.177 63.549 63.200 0.286 0.000 0.789 61 S HN 0.257 nan 8.310 nan 0.000 0.497 62 S N 1.326 117.109 115.700 0.139 0.000 4.640 62 S HA 0.159 4.629 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 0.806 175.570 174.700 0.107 0.000 0.984 63 T CA 0.394 62.556 62.100 0.103 0.000 0.911 63 T CB 0.215 69.189 68.868 0.176 0.000 1.127 63 T HN 0.745 nan 8.240 nan 0.000 0.514 64 G N 0.166 109.008 108.800 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 -0.945 174.023 174.900 0.114 0.000 1.189 64 G CA -0.364 44.804 45.100 0.113 0.000 0.956 64 G HN 0.256 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 0.683 175.528 174.700 0.242 0.000 0.994 65 T CA -0.483 61.733 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 0.964 122.370 121.300 0.177 0.000 2.699 66 W HA 0.274 4.934 4.660 0.001 0.000 0.249 66 W C 0.245 176.755 176.519 -0.015 0.000 1.280 66 W CA 0.527 57.927 57.345 0.092 0.000 1.345 66 W CB -1.066 28.467 29.460 0.123 0.000 1.128 66 W HN 0.555 nan 8.180 nan 0.000 0.642 67 T N 0.673 114.773 114.554 -0.756 0.000 2.868 67 T HA 0.313 4.663 4.350 0.000 0.000 0.306 67 T C -0.500 173.988 174.700 -0.353 0.000 1.224 67 T CA -0.351 61.345 62.100 -0.673 0.000 1.012 67 T CB 1.679 69.815 68.868 -1.221 0.000 1.221 67 T HN -0.198 nan 8.240 nan 0.000 0.499 68 T N 2.728 117.181 114.554 -0.167 0.000 2.888 68 T HA 0.450 4.800 4.350 0.000 0.000 0.301 68 T C 0.284 175.065 174.700 0.135 0.000 1.001 68 T CA -0.266 61.843 62.100 0.014 0.000 1.147 68 T CB 0.040 68.955 68.868 0.079 0.000 0.931 68 T HN 0.726 nan 8.240 nan 0.000 0.541 69 V N 2.918 122.875 119.914 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 61.084 62.300 -0.055 0.000 0.907 69 V CB 1.429 33.128 31.823 -0.206 0.000 0.994 69 V HN 1.035 nan 8.190 nan 0.000 0.442 70 W N 2.222 123.112 121.300 -0.683 0.000 2.519 70 W HA -0.075 4.584 4.660 -0.001 0.000 0.266 70 W C 1.408 177.704 176.519 -0.373 0.000 1.253 70 W CA 1.346 58.145 57.345 -0.910 0.000 1.274 70 W CB -1.686 26.964 29.460 -1.349 0.000 1.114 70 W HN 0.762 nan 8.180 nan 0.000 0.596 71 T N -1.100 112.837 114.554 -1.029 0.000 2.977 71 T HA -0.203 4.147 4.350 0.000 0.000 0.271 71 T C 1.105 175.596 174.700 -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 1.971 122.238 120.400 -0.220 0.000 2.221 72 D HA -0.026 4.614 4.640 0.000 0.000 0.204 72 D C 2.271 178.552 176.300 -0.031 0.000 0.982 72 D CA 1.260 55.209 54.000 -0.085 0.000 0.857 72 D CB -0.813 39.975 40.800 -0.019 0.000 0.934 72 D HN 0.614 nan 8.370 nan 0.000 0.475 73 G N -0.126 108.669 108.800 -0.008 0.000 2.598 73 G HA2 -0.100 3.860 3.960 0.000 0.000 0.215 73 G HA3 -0.100 3.860 3.960 0.000 0.000 0.215 73 G C 1.534 176.459 174.900 0.042 0.000 1.131 73 G CA -0.058 45.068 45.100 0.044 0.000 0.785 73 G HN 0.279 nan 8.290 nan 0.000 0.539 74 L N 0.798 122.025 121.223 0.007 0.000 2.478 74 L HA 0.133 4.473 4.340 0.000 0.000 0.223 74 L C 1.327 178.205 176.870 0.014 0.000 1.140 74 L CA 0.512 55.361 54.840 0.016 0.000 0.842 74 L CB -0.323 41.726 42.059 -0.017 0.000 0.953 74 L HN 0.197 nan 8.230 nan 0.000 0.452 75 T N -3.150 111.414 114.554 0.017 0.000 2.718 75 T HA 0.244 4.594 4.350 0.000 0.000 0.267 75 T C -0.334 174.419 174.700 0.088 0.000 0.957 75 T CA -0.640 61.501 62.100 0.068 0.000 1.025 75 T CB 1.356 70.278 68.868 0.089 0.000 1.355 75 T HN -0.182 nan 8.240 nan 0.000 0.572 76 N N 0.769 119.556 118.700 0.146 0.000 2.898 76 N HA 0.230 4.970 4.740 0.000 0.000 0.245 76 N C 0.345 175.919 175.510 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 38.805 38.487 0.023 0.000 1.157 76 N HN 0.467 nan 8.380 nan 0.000 0.503 77 L N 2.223 123.503 121.223 0.094 0.000 2.127 77 L HA -0.084 4.256 4.340 0.000 0.000 0.211 77 L C 1.272 178.157 176.870 0.024 0.000 1.089 77 L CA 1.607 56.508 54.840 0.101 0.000 0.757 77 L CB -0.345 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 -1.025 119.356 120.400 -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 1.109 55.066 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 0.430 nan 8.370 nan 0.000 0.475 79 R N -1.019 119.380 120.500 -0.169 0.000 2.300 79 R HA 0.005 4.345 4.340 0.000 0.000 0.199 79 R C 0.754 176.809 176.300 -0.409 0.000 0.920 79 R CA 0.586 56.498 56.100 -0.314 0.000 1.046 79 R CB -0.080 29.957 30.300 -0.438 0.000 0.984 79 R HN 0.252 nan 8.270 nan 0.000 0.493 80 Y N 2.044 122.339 120.300 -0.008 0.000 2.483 80 Y HA 0.196 4.746 4.550 0.001 0.000 0.258 80 Y C 0.380 176.296 175.900 0.026 0.000 1.083 80 Y CA -0.566 57.534 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 1.259 121.755 120.400 0.160 0.000 2.436 81 K HA 0.331 4.651 4.320 0.000 0.000 0.275 81 K C 0.551 177.224 176.600 0.123 0.000 0.999 81 K CA 0.170 56.569 56.287 0.186 0.000 0.980 81 K CB 0.626 33.180 32.500 0.089 0.000 0.919 81 K HN 0.132 nan 8.250 nan 0.000 0.484 82 G N 2.365 111.278 108.800 0.189 0.000 2.507 82 G HA2 0.362 4.322 3.960 0.000 0.000 0.271 82 G HA3 0.362 4.322 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 -0.109 120.329 120.500 -0.103 0.000 2.584 83 R HA 0.375 4.716 4.340 0.000 0.000 0.276 83 R C -1.623 174.734 176.300 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 -0.166 0.000 1.215 83 R HN 0.475 nan 8.270 nan 0.000 0.449 84 C N 5.117 124.519 119.300 0.169 0.000 2.416 84 C HA 0.292 4.752 4.460 0.000 0.000 0.355 84 C C 0.796 175.961 174.990 0.293 0.000 1.211 84 C CA -0.476 58.675 59.018 0.221 0.000 1.699 84 C CB -1.722 26.160 27.740 0.237 0.000 2.310 84 C HN 0.895 nan 8.230 nan 0.000 0.539 85 Y N 3.040 123.482 120.300 0.237 0.000 2.467 85 Y HA 0.476 5.025 4.550 -0.001 0.000 0.250 85 Y C 0.605 176.704 175.900 0.333 0.000 1.155 85 Y CA -0.263 57.970 58.100 0.221 0.000 1.249 85 Y CB -0.486 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 -0.001 0.000 0.337 86 H C -2.068 173.369 175.328 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 3.715 124.052 120.570 -0.388 0.000 2.533 87 I HA 0.210 4.380 4.170 0.000 0.000 0.290 87 I C -0.753 175.195 176.117 -0.282 0.000 1.056 87 I CA -0.534 60.651 61.300 -0.192 0.000 1.057 87 I CB 2.329 40.251 38.000 -0.131 0.000 1.240 87 I HN 0.544 nan 8.210 nan 0.000 0.423 88 E N 8.523 128.710 120.200 -0.022 0.000 2.263 88 E HA 0.501 4.851 4.350 0.000 0.000 0.268 88 E C -2.875 173.817 176.600 0.154 0.000 0.884 88 E CA -1.988 54.446 56.400 0.057 0.000 0.766 88 E CB 2.699 32.492 29.700 0.155 0.000 1.196 88 E HN 0.160 nan 8.360 nan 0.000 0.416 89 P HA 0.014 nan 4.420 nan 0.000 0.271 89 P C -0.151 177.127 177.300 -0.036 0.000 1.218 89 P CA -0.399 62.729 63.100 0.046 0.000 0.780 89 P CB 1.155 32.887 31.700 0.053 0.000 0.901 90 V N 2.923 122.749 119.914 -0.147 0.000 2.432 90 V HA 0.247 4.367 4.120 0.000 0.000 0.271 90 V C 1.064 177.111 176.094 -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 32.126 31.823 -0.096 0.000 0.992 90 V HN 0.718 nan 8.190 nan 0.000 0.471 91 A N 4.474 127.273 122.820 -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 0.637 52.658 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 1.379 110.160 108.800 -0.031 0.000 2.179 92 G HA2 -0.178 3.783 3.960 0.000 0.000 0.260 92 G HA3 -0.178 3.783 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 0.539 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 0.659 120.822 120.200 -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 55.733 56.400 -0.074 0.000 0.794 93 E CB 1.642 31.291 29.700 -0.085 0.000 1.210 93 E HN 0.473 nan 8.360 nan 0.000 0.414 94 E N 1.433 121.577 120.200 -0.093 0.000 2.179 94 E HA 0.221 4.571 4.350 0.000 0.000 0.275 94 E C -0.085 176.441 176.600 -0.123 0.000 0.945 94 E CA -0.894 55.450 56.400 -0.093 0.000 0.792 94 E CB 0.789 30.462 29.700 -0.044 0.000 1.125 94 E HN 0.428 nan 8.360 nan 0.000 0.397 95 N N 1.044 119.649 118.700 -0.157 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 1.311 54.295 53.050 -0.110 0.000 0.714 95 N CB -0.795 37.702 38.487 0.018 0.000 0.959 95 N HN 0.735 nan 8.380 nan 0.000 0.544 96 Q N 0.358 119.813 119.800 -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 -0.767 0.000 1.046 96 Q CA -0.697 54.859 55.803 -0.410 0.000 0.798 96 Q CB 1.087 29.705 28.738 -0.199 0.000 1.286 96 Q HN 0.248 nan 8.270 nan 0.000 0.435 97 Y N 1.677 121.962 120.300 -0.026 0.000 2.609 97 Y HA 0.552 5.103 4.550 0.001 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 39.893 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 0.015 0.000 1.320 98 I HN 0.579 nan 8.210 nan 0.000 0.458 99 C N 6.882 126.149 119.300 -0.055 0.000 2.319 99 C HA 0.476 4.937 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 1.785 122.074 120.300 -0.019 0.000 2.328 100 Y HA 0.557 5.107 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 -0.299 57.764 58.100 -0.062 0.000 1.129 100 Y CB 0.963 39.200 38.460 -0.371 0.000 1.185 100 Y HN 0.407 nan 8.280 nan 0.000 0.476 101 V N 2.862 122.955 119.914 0.298 0.000 2.604 101 V HA 0.833 4.953 4.120 0.000 0.000 0.305 101 V C -0.381 175.873 176.094 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 0.119 0.000 0.995 101 V HN 0.842 nan 8.190 nan 0.000 0.429 102 A N 3.783 126.705 122.820 0.169 0.000 2.318 102 A HA 0.877 5.197 4.320 0.000 0.000 0.324 102 A C -1.543 175.954 177.584 -0.145 0.000 1.170 102 A CA -0.408 51.696 52.037 0.111 0.000 0.810 102 A CB 0.758 19.843 19.000 0.142 0.000 1.198 102 A HN 0.739 nan 8.150 nan 0.000 0.484 103 Y N 2.769 123.187 120.300 0.196 0.000 2.350 103 Y HA 0.450 5.001 4.550 0.001 0.000 0.338 103 Y C -2.178 173.846 175.900 0.208 0.000 0.961 103 Y CA -2.480 55.752 58.100 0.220 0.000 1.100 103 Y CB 1.972 40.669 38.460 0.394 0.000 1.179 103 Y HN 0.494 nan 8.280 nan 0.000 0.454 104 P HA -0.029 nan 4.420 nan 0.000 0.269 104 P C 0.776 178.205 177.300 0.215 0.000 1.209 104 P CA -0.222 62.984 63.100 0.177 0.000 0.776 104 P CB 1.410 33.162 31.700 0.086 0.000 0.876 105 L N 2.486 123.807 121.223 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 56.957 54.840 0.167 0.000 0.765 105 L CB -1.134 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 -0.847 119.619 120.400 0.109 0.000 2.378 106 D HA -0.073 4.567 4.640 0.000 0.000 0.222 106 D C 2.011 178.320 176.300 0.015 0.000 0.980 106 D CA 0.746 54.812 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 54.747 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 0.619 176.446 175.800 0.044 0.000 1.091 108 F CA -1.138 56.820 58.000 -0.070 0.000 0.972 108 F CB 1.037 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 1.489 121.829 120.200 0.233 0.000 2.313 109 E HA 0.160 4.510 4.350 0.000 0.000 0.276 109 E C -0.842 175.886 176.600 0.213 0.000 1.031 109 E CA -0.641 55.853 56.400 0.157 0.000 0.857 109 E CB 0.675 30.425 29.700 0.083 0.000 1.040 109 E HN 0.518 nan 8.360 nan 0.000 0.408 110 E N 2.006 122.270 120.200 0.107 0.000 2.414 110 E HA 0.190 4.540 4.350 0.000 0.000 0.263 110 E C 0.795 177.190 176.600 -0.342 0.000 1.000 110 E CA 1.266 57.633 56.400 -0.055 0.000 0.914 110 E CB 0.662 30.324 29.700 -0.064 0.000 0.948 110 E HN 0.794 nan 8.360 nan 0.000 0.444 111 G N 2.550 110.768 108.800 -0.970 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 0.332 174.891 174.900 -0.568 0.000 0.986 111 G CA 0.581 44.919 45.100 -1.270 0.000 0.683 111 G HN 0.523 nan 8.290 nan 0.000 0.527 112 S N -0.482 115.080 115.700 -0.229 0.000 2.516 112 S HA 0.516 4.986 4.470 0.000 0.000 0.268 112 S C 1.485 176.164 174.600 0.132 0.000 1.251 112 S CA 0.111 58.334 58.200 0.039 0.000 1.153 112 S CB 1.154 64.378 63.200 0.041 0.000 1.009 112 S HN 0.547 nan 8.310 nan 0.000 0.479 113 V N 4.629 124.591 119.914 0.081 0.000 2.594 113 V HA -0.121 3.999 4.120 0.000 0.000 0.253 113 V C 2.525 178.362 176.094 -0.427 0.000 1.069 113 V CA 2.369 64.472 62.300 -0.327 0.000 1.082 113 V CB -0.900 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 -0.101 114.366 114.554 -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 1.799 63.903 62.100 0.006 0.000 1.139 114 T CB -0.396 68.531 68.868 0.098 0.000 0.867 114 T HN 0.573 nan 8.240 nan 0.000 0.454 115 N N 0.521 119.259 118.700 0.063 0.000 2.250 115 N HA -0.026 4.714 4.740 0.000 0.000 0.181 115 N C 2.097 177.716 175.510 0.181 0.000 1.017 115 N CA 0.810 53.931 53.050 0.118 0.000 0.866 115 N CB -0.177 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 -0.011 119.679 119.600 0.150 0.000 2.065 116 M HA -0.193 4.287 4.480 0.000 0.000 0.259 116 M C 1.434 177.827 176.300 0.154 0.000 1.069 116 M CA 1.664 57.034 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 0.478 120.420 119.950 -0.013 0.000 2.234 117 F HA -0.119 4.408 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 1.524 59.513 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 0.778 116.544 115.700 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 58.705 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 0.983 121.600 120.570 0.079 0.000 2.454 120 I HA -0.053 4.117 4.170 0.000 0.000 0.254 120 I C 1.215 177.535 176.117 0.338 0.000 1.156 120 I CA 0.976 62.360 61.300 0.140 0.000 1.433 120 I CB 0.003 38.038 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 1.800 177.942 176.094 0.080 0.000 1.481 121 V CA 0.543 62.957 62.300 0.191 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 1.139 109.998 108.800 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 1.149 176.062 174.900 0.023 0.000 1.201 122 G CA 1.221 46.348 45.100 0.046 0.000 0.784 122 G HN 0.542 nan 8.290 nan 0.000 0.545 123 N N -0.484 118.223 118.700 0.012 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 0.844 53.847 53.050 -0.077 0.000 0.881 123 N CB 0.371 38.756 38.487 -0.169 0.000 1.153 123 N HN 0.284 nan 8.380 nan 0.000 0.489 124 V N -0.875 119.001 119.914 -0.062 0.000 2.546 124 V HA -0.129 3.991 4.120 0.000 0.000 0.254 124 V C 1.627 177.725 176.094 0.007 0.000 1.076 124 V CA 1.401 63.642 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 2.297 122.222 119.950 -0.042 0.000 2.699 125 F HA 0.337 4.865 4.527 0.001 0.000 0.298 125 F C 2.214 178.072 175.800 0.098 0.000 1.154 125 F CA 0.870 58.889 58.000 0.031 0.000 1.457 125 F CB -0.678 38.328 39.000 0.010 0.000 1.106 125 F HN 0.356 nan 8.300 nan 0.000 0.585 126 G N -1.708 107.182 108.800 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 0.117 175.058 174.900 0.068 0.000 1.072 126 G CA -0.192 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 0.174 4.702 4.527 0.001 0.000 0.374 127 F C 1.761 177.563 175.800 0.003 0.000 1.104 127 F CA 0.092 58.090 58.000 -0.002 0.000 1.296 127 F CB 1.071 40.044 39.000 -0.046 0.000 1.085 127 F HN -0.040 nan 8.300 nan 0.000 0.584 128 K N 2.638 123.194 120.400 0.260 0.000 2.147 128 K HA -0.109 4.211 4.320 0.000 0.000 0.205 128 K C 1.836 178.489 176.600 0.088 0.000 1.049 128 K CA 1.173 57.537 56.287 0.128 0.000 0.936 128 K CB -0.097 32.457 32.500 0.091 0.000 0.722 128 K HN 0.688 nan 8.250 nan 0.000 0.446 129 A N 0.787 123.649 122.820 0.070 0.000 2.239 129 A HA 0.074 4.394 4.320 0.000 0.000 0.209 129 A C 0.612 178.182 177.584 -0.023 0.000 1.171 129 A CA 0.507 52.534 52.037 -0.017 0.000 0.768 129 A CB -0.153 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 -2.025 119.215 121.223 0.029 0.000 2.333 130 L HA 0.472 4.813 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 43.843 42.059 0.018 0.000 1.306 130 L HN 0.121 nan 8.230 nan 0.000 0.430 131 R N 0.833 121.363 120.500 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 0.677 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 0.374 123.272 122.820 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 20.858 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 -1.938 174.436 176.300 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 4.238 125.568 121.223 0.178 0.000 2.265 135 L HA 0.281 4.621 4.340 0.000 0.000 0.288 135 L C 0.626 177.432 176.870 -0.107 0.000 1.058 135 L CA 0.517 55.303 54.840 -0.089 0.000 0.809 135 L CB 1.244 43.265 42.059 -0.064 0.000 1.179 135 L HN 0.724 nan 8.230 nan 0.000 0.429 136 E N 2.248 122.290 120.200 -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 -0.688 0.000 0.816 136 E HN 0.687 nan 8.360 nan 0.000 0.475 137 D N -1.059 119.205 120.400 -0.228 0.000 2.653 137 D HA 0.402 5.042 4.640 0.000 0.000 0.258 137 D C -1.580 174.804 176.300 0.139 0.000 1.252 137 D CA -0.460 53.555 54.000 0.025 0.000 0.777 137 D CB 1.354 42.233 40.800 0.130 0.000 1.339 137 D HN -0.150 nan 8.370 nan 0.000 0.422 138 L N 1.179 122.485 121.223 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 -0.140 0.000 0.978 138 L CA -0.896 53.924 54.840 -0.033 0.000 0.822 138 L CB 2.287 44.314 42.059 -0.052 0.000 1.310 138 L HN 0.188 nan 8.230 nan 0.000 0.409 139 R N 3.906 124.132 120.500 -0.457 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 55.360 56.100 -0.414 0.000 0.871 139 R CB 0.527 30.433 30.300 -0.657 0.000 1.134 139 R HN 0.571 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 0.226 4.397 4.170 0.000 0.000 0.291 140 I C -1.680 174.322 176.117 -0.191 0.000 1.031 140 I CA -2.005 59.165 61.300 -0.217 0.000 1.293 140 I CB 1.556 39.411 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 1.088 178.382 177.300 -0.009 0.000 1.205 141 P CA -0.126 62.944 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 0.864 120.767 119.914 -0.018 0.000 2.568 142 V HA -0.225 3.895 4.120 0.000 0.000 0.253 142 V C 2.215 178.344 176.094 0.059 0.000 1.072 142 V CA 2.019 64.325 62.300 0.009 0.000 1.084 142 V CB -2.090 29.740 31.823 0.012 0.000 0.676 142 V HN 0.528 nan 8.190 nan 0.000 0.469 143 A N -1.035 121.830 122.820 0.075 0.000 2.015 143 A HA -0.103 4.217 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 1.769 53.866 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 0.722 nan 8.150 nan 0.000 0.448 144 Y N -0.255 120.072 120.300 0.044 0.000 2.397 144 Y HA 0.039 4.589 4.550 0.001 0.000 0.292 144 Y C 2.230 178.251 175.900 0.201 0.000 1.115 144 Y CA 0.837 58.993 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 0.683 120.685 119.914 0.147 0.000 2.469 145 V HA -0.281 3.840 4.120 0.000 0.000 0.251 145 V C 2.173 178.372 176.094 0.174 0.000 1.064 145 V CA 1.882 64.258 62.300 0.126 0.000 1.066 145 V CB -0.464 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 0.507 120.970 120.400 0.105 0.000 2.439 146 K HA -0.052 4.269 4.320 0.000 0.000 0.197 146 K C 1.993 178.598 176.600 0.010 0.000 1.041 146 K CA 1.420 57.746 56.287 0.066 0.000 0.970 146 K CB -0.629 31.900 32.500 0.047 0.000 0.773 146 K HN 0.729 nan 8.250 nan 0.000 0.479 147 T N -1.991 112.526 114.554 -0.062 0.000 3.169 147 T HA 0.148 4.498 4.350 0.000 0.000 0.250 147 T C 0.381 174.825 174.700 -0.427 0.000 1.111 147 T CA -0.226 61.728 62.100 -0.244 0.000 1.010 147 T CB -0.311 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 0.815 120.686 119.950 -0.131 0.000 2.538 148 F HA 0.489 5.016 4.527 -0.000 0.000 0.325 148 F C 1.440 177.210 175.800 -0.050 0.000 1.066 148 F CA -1.257 56.687 58.000 -0.094 0.000 0.946 148 F CB 2.145 41.073 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 0.936 176.973 176.000 0.062 0.000 0.954 149 Q CA 1.121 56.957 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 0.551 109.411 108.800 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 -2.582 172.303 174.900 -0.025 0.000 1.341 150 G CA -0.460 44.648 45.100 0.013 0.000 0.880 150 G HN 0.311 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 -0.377 62.678 63.100 -0.075 0.000 0.766 151 P CB 0.389 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 0.724 177.664 177.300 -0.599 0.000 1.149 152 P CA 1.790 64.728 63.100 -0.269 0.000 0.817 152 P CB 0.075 31.696 31.700 -0.132 0.000 0.785 153 H N -3.751 115.298 119.070 -0.035 0.000 1.955 153 H HA 0.340 4.896 4.556 0.000 0.000 0.196 153 H C 1.092 176.408 175.328 -0.019 0.000 0.891 153 H CA 0.926 56.959 56.048 -0.024 0.000 1.001 153 H CB 0.267 30.017 29.762 -0.021 0.000 1.195 153 H HN 0.049 nan 8.280 nan 0.000 0.384 154 G N 1.137 109.998 108.800 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 0.786 175.724 174.900 0.063 0.000 1.315 154 G CA -0.095 45.030 45.100 0.042 0.000 0.832 154 G HN 0.193 nan 8.290 nan 0.000 0.573 155 I N 0.161 120.754 120.570 0.038 0.000 2.113 155 I HA -0.319 3.851 4.170 0.000 0.000 0.242 155 I C 2.918 179.074 176.117 0.064 0.000 1.064 155 I CA 2.545 63.873 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 1.139 120.979 119.800 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 2.448 58.303 55.803 0.087 0.000 0.843 156 Q CB -0.099 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 1.387 121.354 119.914 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 2.248 64.605 62.300 0.095 0.000 1.049 157 V CB -0.782 31.123 31.823 0.136 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 2.451 179.055 176.600 0.005 0.000 0.989 158 E CA 1.314 57.732 56.400 0.030 0.000 0.800 158 E CB -0.069 29.675 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 30.156 30.300 -0.080 0.000 0.864 159 R HN 0.248 nan 8.270 nan 0.000 0.440 160 D N 0.473 120.884 120.400 0.017 0.000 2.144 160 D HA -0.119 4.521 4.640 0.000 0.000 0.199 160 D C 1.642 177.963 176.300 0.034 0.000 0.984 160 D CA 1.238 55.299 54.000 0.102 0.000 0.834 160 D CB 0.054 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 0.022 120.422 120.400 0.001 0.000 2.062 161 K HA 0.063 4.383 4.320 0.000 0.000 0.205 161 K C 2.109 178.696 176.600 -0.023 0.000 1.051 161 K CA 0.468 56.749 56.287 -0.010 0.000 0.941 161 K CB 0.072 32.548 32.500 -0.039 0.000 0.719 161 K HN 0.155 nan 8.250 nan 0.000 0.440 162 L N 0.301 121.494 121.223 -0.049 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 0.120 54.926 54.840 -0.056 0.000 0.850 162 L CB -0.443 41.597 42.059 -0.032 0.000 0.966 162 L HN 0.398 nan 8.230 nan 0.000 0.454 163 N N 1.183 119.770 118.700 -0.187 0.000 2.783 163 N HA -0.166 4.575 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 -0.223 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 1.453 121.453 120.400 -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 -0.322 55.678 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 1.021 176.927 175.900 0.010 0.000 1.045 165 Y CA -0.838 57.268 58.100 0.011 0.000 1.028 165 Y CB 2.488 40.955 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 0.325 45.490 45.100 0.110 0.000 0.665 166 G HN 0.955 nan 8.290 nan 0.000 0.528 167 R N -2.231 118.305 120.500 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 -1.620 54.507 56.100 0.046 0.000 0.869 167 R CB 0.089 30.411 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 1.155 122.374 121.223 -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 -0.633 54.192 54.840 -0.025 0.000 0.804 169 L CB 0.412 42.488 42.059 0.028 0.000 1.203 169 L HN 0.164 nan 8.230 nan 0.000 0.440 170 L N 1.738 122.953 121.223 -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 0.711 nan 8.230 nan 0.000 0.423 171 G N 0.881 109.765 108.800 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 -1.975 172.961 174.900 0.061 0.000 1.389 171 G CA -0.480 44.692 45.100 0.120 0.000 0.894 171 G HN 0.704 nan 8.290 nan 0.000 0.488 172 C N -0.054 119.232 119.300 -0.024 0.000 2.931 172 C HA 0.736 5.196 4.460 0.000 0.000 0.370 172 C C -0.259 174.694 174.990 -0.061 0.000 1.071 172 C CA -0.416 58.601 59.018 -0.003 0.000 1.266 172 C CB 0.628 28.385 27.740 0.028 0.000 1.691 172 C HN 0.812 nan 8.230 nan 0.000 0.511 173 T N 7.104 121.643 114.554 -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 3.936 124.478 120.570 -0.047 0.000 2.692 174 I HA 0.232 4.402 4.170 0.000 0.000 0.284 174 I C 0.702 176.785 176.117 -0.057 0.000 1.159 174 I CA 0.072 61.280 61.300 -0.154 0.000 1.423 174 I CB 0.003 37.674 38.000 -0.548 0.000 1.380 174 I HN 0.439 nan 8.210 nan 0.000 0.580 175 K N 6.031 126.402 120.400 -0.048 0.000 2.443 175 K HA 0.559 4.880 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 1.738 34.255 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 -0.184 62.931 63.100 0.024 0.000 0.788 176 P CB 0.928 32.624 31.700 -0.007 0.000 0.949 177 K N 0.218 120.647 120.400 0.048 0.000 2.015 177 K HA -0.111 4.209 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 57.706 56.287 0.082 0.000 0.937 177 K CB -0.347 32.181 32.500 0.047 0.000 0.719 177 K HN 0.408 nan 8.250 nan 0.000 0.446 178 L N -2.077 119.138 121.223 -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 54.437 54.840 -0.203 0.000 0.820 178 L CB 2.205 44.172 42.059 -0.154 0.000 1.334 178 L HN 0.500 nan 8.230 nan 0.000 0.427 179 G N 1.028 109.057 108.800 -1.285 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 -0.075 174.663 174.900 -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 2.336 123.555 121.223 -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 0.140 55.087 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 0.383 4.853 4.470 0.000 0.000 0.270 181 S C 0.915 175.607 174.600 0.154 0.000 1.225 181 S CA -0.169 58.136 58.200 0.175 0.000 0.991 181 S CB 1.592 64.844 63.200 0.086 0.000 0.987 181 S HN 0.684 nan 8.310 nan 0.000 0.552 182 A N 1.002 123.884 122.820 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 53.690 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 -0.284 119.842 120.400 -0.457 0.000 2.097 183 K HA -0.120 4.201 4.320 0.000 0.000 0.205 183 K C 1.701 178.142 176.600 -0.266 0.000 1.050 183 K CA 1.536 57.352 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 -0.760 117.888 118.700 -0.087 0.000 2.244 184 N HA -0.157 4.584 4.740 0.000 0.000 0.183 184 N C 1.596 177.147 175.510 0.068 0.000 1.016 184 N CA 0.663 53.715 53.050 0.003 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 1.280 121.580 120.300 -0.001 0.000 2.145 185 Y HA -0.114 4.437 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 1.693 59.817 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 -0.539 108.361 108.800 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 1.745 176.698 174.900 0.088 0.000 1.135 186 G CA 0.871 46.039 45.100 0.112 0.000 0.767 186 G HN 0.370 nan 8.290 nan 0.000 0.550 187 R N 0.534 121.066 120.500 0.053 0.000 2.075 187 R HA 0.110 4.450 4.340 0.000 0.000 0.232 187 R C 2.720 179.064 176.300 0.074 0.000 1.126 187 R CA 1.456 57.607 56.100 0.084 0.000 0.963 187 R CB -0.398 29.924 30.300 0.036 0.000 0.858 187 R HN 0.233 nan 8.270 nan 0.000 0.435 188 A N 0.396 123.218 122.820 0.003 0.000 1.969 188 A HA -0.028 4.292 4.320 0.000 0.000 0.218 188 A C 2.196 179.754 177.584 -0.043 0.000 1.169 188 A CA 1.194 53.205 52.037 -0.043 0.000 0.635 188 A CB -0.253 18.680 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 -0.953 30.873 31.823 0.006 0.000 0.656 189 V HN 0.749 nan 8.190 nan 0.000 0.451 190 Y N 1.560 121.859 120.300 -0.002 0.000 2.145 190 Y HA -0.207 4.343 4.550 0.000 0.000 0.286 190 Y C 2.519 178.423 175.900 0.007 0.000 1.145 190 Y CA 1.858 59.964 58.100 0.010 0.000 1.148 190 Y CB -0.338 38.134 38.460 0.020 0.000 0.981 190 Y HN 0.283 nan 8.280 nan 0.000 0.507 191 E N -0.418 119.563 120.200 -0.366 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 1.470 57.625 56.400 -0.409 0.000 0.800 191 E CB -0.888 28.702 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 2.905 179.726 176.870 -0.081 0.000 1.077 193 L CA 1.760 56.568 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 0.509 120.911 120.500 -0.164 0.000 2.285 194 R HA -0.048 4.292 4.340 0.000 0.000 0.213 194 R C 1.803 178.041 176.300 -0.104 0.000 1.068 194 R CA 1.157 57.175 56.100 -0.137 0.000 1.004 194 R CB -0.580 29.564 30.300 -0.261 0.000 0.873 194 R HN 0.247 nan 8.270 nan 0.000 0.467 195 G N -0.449 108.283 108.800 -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 0.885 175.747 174.900 -0.064 0.000 1.165 195 G CA 0.232 45.280 45.100 -0.087 0.000 0.776 195 G HN 0.568 nan 8.290 nan 0.000 0.541 196 G N -0.783 107.982 108.800 -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 0.283 175.147 174.900 -0.061 0.000 1.006 196 G CA -0.271 44.798 45.100 -0.051 0.000 0.684 196 G HN 0.337 nan 8.290 nan 0.000 0.489 197 L N 1.245 122.431 121.223 -0.062 0.000 2.395 197 L HA 0.376 4.716 4.340 0.000 0.000 0.269 197 L C 1.077 177.880 176.870 -0.113 0.000 1.133 197 L CA -0.673 54.131 54.840 -0.061 0.000 0.812 197 L CB 0.634 42.677 42.059 -0.027 0.000 1.125 197 L HN 0.005 nan 8.230 nan 0.000 0.452 198 D N 1.308 121.581 120.400 -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 -0.446 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 4.875 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 -0.118 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 -1.140 173.155 174.700 -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 0.794 nan 8.240 nan 0.000 0.510 201 K N -0.101 119.946 120.400 -0.589 0.000 2.556 201 K HA 0.594 4.915 4.320 0.000 0.000 0.274 201 K C -1.847 174.659 176.600 -0.157 0.000 0.966 201 K CA -0.979 54.864 56.287 -0.738 0.000 0.865 201 K CB 1.377 33.398 32.500 -0.798 0.000 1.444 201 K HN 0.354 nan 8.250 nan 0.000 0.433 202 D N 1.260 121.665 120.400 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 0.278 54.459 54.000 0.302 0.000 0.907 202 D CB 0.850 41.797 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 0.812 41.681 40.800 0.115 0.000 1.152 203 D HN 0.378 nan 8.370 nan 0.000 0.451 204 E N 1.466 121.530 120.200 -0.227 0.000 2.209 204 E HA -0.242 4.108 4.350 0.000 0.000 0.196 204 E C 0.549 177.058 176.600 -0.153 0.000 0.993 204 E CA 1.090 57.257 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 0.878 119.538 118.700 -0.066 0.000 2.280 205 N HA 0.023 4.763 4.740 0.000 0.000 0.192 205 N C -0.003 175.547 175.510 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 0.266 176.416 176.094 0.093 0.000 1.055 206 V CA -0.203 62.172 62.300 0.126 0.000 0.930 206 V CB -0.321 31.588 31.823 0.144 0.000 1.031 206 V HN 0.299 nan 8.190 nan 0.000 0.479 207 N N 2.585 121.322 118.700 0.061 0.000 2.871 207 N HA 0.252 4.993 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 0.056 0.000 1.124 207 N CB 0.564 39.057 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 0.445 4.915 4.470 0.000 0.000 0.283 208 S C -1.813 172.709 174.600 -0.129 0.000 1.159 208 S CA -0.416 57.787 58.200 0.006 0.000 1.001 208 S CB 1.146 64.450 63.200 0.174 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 0.466 4.806 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 29.935 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 -0.094 0.000 1.151 210 P CA 1.528 64.561 63.100 -0.111 0.000 0.849 210 P CB 0.027 31.734 31.700 0.011 0.000 0.787 211 F N -2.542 117.419 119.950 0.018 0.000 2.407 211 F HA 0.234 4.761 4.527 0.000 0.000 0.299 211 F C 1.030 176.842 175.800 0.021 0.000 1.097 211 F CA 0.178 58.191 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 -0.171 nan 8.300 nan 0.000 0.539 212 M N 1.226 120.595 119.600 -0.386 0.000 2.310 212 M HA 0.354 4.834 4.480 0.000 0.000 0.242 212 M C -1.480 174.671 176.300 -0.250 0.000 1.000 212 M CA -0.540 54.654 55.300 -0.177 0.000 0.970 212 M CB 1.177 33.766 32.600 -0.018 0.000 2.191 212 M HN -0.192 nan 8.290 nan 0.000 0.470 213 R N 3.858 124.266 120.500 -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 55.818 56.100 -0.161 0.000 1.055 213 R CB 0.682 30.858 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 1.164 177.522 176.519 -0.268 0.000 1.221 214 W CA 0.954 58.180 57.345 -0.199 0.000 1.266 214 W CB -0.546 28.725 29.460 -0.316 0.000 1.150 214 W HN 0.587 nan 8.180 nan 0.000 0.496 215 R N 0.968 120.641 120.500 -1.378 0.000 2.120 215 R HA -0.149 4.191 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 2.071 57.451 56.100 -1.200 0.000 0.975 215 R CB -0.384 28.936 30.300 -1.634 0.000 0.866 215 R HN 0.035 nan 8.270 nan 0.000 0.446 216 D N -0.311 119.926 120.400 -0.272 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 -0.163 120.453 120.500 0.194 0.000 2.062 217 R HA -0.134 4.206 4.340 0.000 0.000 0.231 217 R C 2.225 178.771 176.300 0.410 0.000 1.136 217 R CA 1.004 57.282 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 1.116 121.184 119.950 0.196 0.000 2.120 218 F HA -0.222 4.306 4.527 0.000 0.000 0.300 218 F C 2.241 178.122 175.800 0.136 0.000 1.095 218 F CA 1.185 59.321 58.000 0.226 0.000 1.249 218 F CB -0.891 38.366 39.000 0.429 0.000 0.995 218 F HN 0.102 nan 8.300 nan 0.000 0.480 219 L N -1.476 119.950 121.223 0.338 0.000 2.017 219 L HA -0.227 4.113 4.340 0.000 0.000 0.208 219 L C 2.306 179.177 176.870 0.001 0.000 1.073 219 L CA 1.485 56.394 54.840 0.114 0.000 0.745 219 L CB -0.544 41.501 42.059 -0.023 0.000 0.894 219 L HN -0.046 nan 8.230 nan 0.000 0.432 220 F N -1.054 118.963 119.950 0.112 0.000 2.186 220 F HA -0.179 4.348 4.527 0.000 0.000 0.299 220 F C 2.567 178.389 175.800 0.036 0.000 1.090 220 F CA 1.101 59.145 58.000 0.073 0.000 1.307 220 F CB -1.070 37.977 39.000 0.078 0.000 1.019 220 F HN 0.178 nan 8.300 nan 0.000 0.489 221 C N -0.421 118.984 119.300 0.175 0.000 2.435 221 C HA -0.029 4.431 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 0.847 59.843 59.018 -0.036 0.000 1.752 221 C CB -1.556 26.018 27.740 -0.277 0.000 1.959 221 C HN 0.486 nan 8.230 nan 0.000 0.500 222 A N 0.337 123.139 122.820 -0.029 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 1.755 53.722 52.037 -0.116 0.000 0.620 222 A CB -0.626 18.366 19.000 -0.014 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 2.161 178.825 176.600 0.105 0.000 0.991 223 E CA 1.083 57.573 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 1.336 124.208 122.820 0.087 0.000 1.877 224 A HA -0.179 4.141 4.320 0.000 0.000 0.216 224 A C 2.229 179.880 177.584 0.110 0.000 1.186 224 A CA 1.698 53.795 52.037 0.100 0.000 0.620 224 A CB -0.816 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 -2.788 118.437 121.223 0.002 0.000 2.083 225 L HA -0.096 4.244 4.340 0.000 0.000 0.209 225 L C 2.185 179.047 176.870 -0.013 0.000 1.083 225 L CA 1.917 56.737 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 -0.095 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 1.397 59.527 58.100 0.049 0.000 1.227 226 Y CB -0.588 37.888 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 -0.080 4.241 4.320 0.000 0.000 0.205 227 K C 2.308 179.029 176.600 0.202 0.000 1.049 227 K CA 1.003 57.346 56.287 0.094 0.000 0.939 227 K CB -0.196 32.224 32.500 -0.133 0.000 0.717 227 K HN 0.181 nan 8.250 nan 0.000 0.438 228 A N 1.111 124.117 122.820 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 1.593 53.801 52.037 0.286 0.000 0.628 228 A CB -0.568 18.561 19.000 0.214 0.000 0.814 228 A HN 0.545 nan 8.150 nan 0.000 0.444 229 Q N -0.652 119.234 119.800 0.144 0.000 2.119 229 Q HA -0.088 4.252 4.340 0.000 0.000 0.201 229 Q C 2.124 178.188 176.000 0.105 0.000 0.972 229 Q CA 1.395 57.268 55.803 0.116 0.000 0.847 229 Q CB -0.302 28.524 28.738 0.146 0.000 0.903 229 Q HN 0.617 nan 8.270 nan 0.000 0.433 230 A N 0.514 123.404 122.820 0.117 0.000 1.968 230 A HA -0.193 4.128 4.320 0.000 0.000 0.217 230 A C 1.828 179.459 177.584 0.077 0.000 1.169 230 A CA 1.434 53.522 52.037 0.085 0.000 0.638 230 A CB -0.470 18.574 19.000 0.075 0.000 0.812 230 A HN 0.582 nan 8.150 nan 0.000 0.446 231 E N -0.279 119.981 120.200 0.101 0.000 2.072 231 E HA -0.146 4.204 4.350 0.000 0.000 0.190 231 E C 1.996 178.636 176.600 0.067 0.000 0.982 231 E CA 1.701 58.158 56.400 0.095 0.000 0.803 231 E CB -0.026 29.763 29.700 0.148 0.000 0.755 231 E HN 0.713 nan 8.360 nan 0.000 0.453 232 T N -3.978 110.613 114.554 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 0.552 69.435 68.868 0.024 0.000 0.908 232 T HN 0.318 nan 8.240 nan 0.000 0.480 233 G N 1.177 109.999 108.800 0.036 0.000 2.157 233 G HA2 -0.191 3.769 3.960 0.000 0.000 0.248 233 G HA3 -0.191 3.769 3.960 0.000 0.000 0.248 233 G C -0.280 174.632 174.900 0.021 0.000 0.979 233 G CA 0.089 45.206 45.100 0.029 0.000 0.650 233 G HN 0.665 nan 8.290 nan 0.000 0.529 234 E N -0.394 119.814 120.200 0.015 0.000 2.212 234 E HA 0.576 4.926 4.350 0.000 0.000 0.268 234 E C 0.275 176.874 176.600 -0.001 0.000 0.902 234 E CA -1.072 55.325 56.400 -0.005 0.000 0.779 234 E CB 1.823 31.507 29.700 -0.026 0.000 1.172 234 E HN 0.285 nan 8.360 nan 0.000 0.409 235 I N 3.263 123.827 120.570 -0.011 0.000 2.618 235 I HA -0.023 4.147 4.170 0.000 0.000 0.284 235 I C 0.416 176.521 176.117 -0.019 0.000 1.146 235 I CA 0.500 61.803 61.300 0.005 0.000 1.425 235 I CB 0.094 38.097 38.000 0.004 0.000 1.383 235 I HN 0.175 nan 8.210 nan 0.000 0.562 236 K N 4.579 124.992 120.400 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 -0.733 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 0.154 109.086 108.800 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 -1.891 173.190 174.900 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 0.990 120.118 119.070 0.096 0.000 2.924 238 H HA 0.337 4.893 4.556 0.000 0.000 0.333 238 H C -1.088 174.262 175.328 0.037 0.000 0.979 238 H CA -0.559 55.491 56.048 0.002 0.000 1.326 238 H CB 1.220 30.970 29.762 -0.021 0.000 1.600 238 H HN 0.355 nan 8.280 nan 0.000 0.520 239 Y N 5.359 125.348 120.300 -0.518 0.000 2.537 239 Y HA 0.109 4.659 4.550 0.000 0.000 0.339 239 Y C 0.583 176.328 175.900 -0.259 0.000 1.066 239 Y CA -0.597 57.284 58.100 -0.366 0.000 1.357 239 Y CB -0.261 37.964 38.460 -0.391 0.000 1.175 239 Y HN 0.364 nan 8.280 nan 0.000 0.525 240 L N 4.178 125.372 121.223 -0.048 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 -0.220 54.477 54.840 -0.237 0.000 0.809 240 L CB 0.626 42.167 42.059 -0.863 0.000 1.179 240 L HN 0.631 nan 8.230 nan 0.000 0.429 241 N N 1.853 120.627 118.700 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 -0.076 53.093 53.050 0.198 0.000 0.956 241 N CB 1.119 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 2.723 125.652 122.820 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 51.993 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 1.716 116.355 114.554 0.142 0.000 2.933 243 T HA 0.444 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 0.733 69.612 68.868 0.019 0.000 1.003 243 T HN 0.809 nan 8.240 nan 0.000 0.540 244 A N 2.208 125.026 122.820 -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 0.381 19.301 19.000 -0.133 0.000 1.306 244 A HN 0.761 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 0.657 175.536 174.900 -0.035 0.000 1.138 245 G CA 1.777 46.854 45.100 -0.039 0.000 0.793 245 G HN 1.577 nan 8.290 nan 0.000 0.539 246 T N -3.961 110.566 114.554 -0.046 0.000 2.901 246 T HA 0.310 4.660 4.350 0.000 0.000 0.293 246 T C 0.896 175.562 174.700 -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 70.278 68.868 -0.043 0.000 1.170 246 T HN -0.079 nan 8.240 nan 0.000 0.509 247 C N 0.518 119.788 119.300 -0.051 0.000 2.425 247 C HA -0.011 4.449 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 0.778 59.755 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 1.383 57.736 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 -0.189 120.138 120.400 -0.121 0.000 2.144 249 D HA -0.126 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 0.729 54.620 54.000 -0.181 0.000 0.833 249 D CB -0.187 40.517 40.800 -0.161 0.000 0.961 249 D HN 0.172 nan 8.370 nan 0.000 0.470 250 M N -0.217 119.261 119.600 -0.203 0.000 2.086 250 M HA -0.176 4.304 4.480 0.000 0.000 0.261 250 M C 1.746 177.893 176.300 -0.256 0.000 1.067 250 M CA 1.253 56.427 55.300 -0.211 0.000 1.116 250 M CB 0.044 32.552 32.600 -0.152 0.000 1.348 250 M HN -0.106 nan 8.290 nan 0.000 0.407 251 M N 0.270 119.724 119.600 -0.244 0.000 2.229 251 M HA -0.162 4.319 4.480 0.000 0.000 0.264 251 M C 1.938 178.075 176.300 -0.271 0.000 1.063 251 M CA 1.501 56.620 55.300 -0.302 0.000 1.114 251 M CB -1.200 31.254 32.600 -0.243 0.000 1.387 251 M HN 0.303 nan 8.290 nan 0.000 0.420 252 K N 0.072 120.337 120.400 -0.226 0.000 2.063 252 K HA -0.145 4.175 4.320 0.000 0.000 0.208 252 K C 2.115 178.576 176.600 -0.232 0.000 1.048 252 K CA 1.283 57.468 56.287 -0.169 0.000 0.928 252 K CB -0.115 32.287 32.500 -0.163 0.000 0.713 252 K HN 0.402 nan 8.250 nan 0.000 0.442 253 R N 0.051 120.244 120.500 -0.512 0.000 2.090 253 R HA -0.026 4.314 4.340 0.000 0.000 0.228 253 R C 2.383 178.704 176.300 0.036 0.000 1.110 253 R CA 1.032 56.794 56.100 -0.564 0.000 0.973 253 R CB -0.291 29.550 30.300 -0.764 0.000 0.869 253 R HN 0.137 nan 8.270 nan 0.000 0.440 254 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 53.309 52.037 -0.021 0.000 0.623 254 A CB -0.518 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 -1.301 118.613 119.914 -0.001 0.000 2.407 255 V HA -0.225 3.895 4.120 0.000 0.000 0.248 255 V C 2.266 178.546 176.094 0.309 0.000 1.055 255 V CA 2.071 64.467 62.300 0.160 0.000 1.049 255 V CB -0.886 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 1.348 121.427 119.950 0.215 0.000 2.259 256 F HA 0.023 4.550 4.527 0.000 0.000 0.298 256 F C 2.232 178.235 175.800 0.337 0.000 1.088 256 F CA 0.776 58.953 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 0.500 123.513 122.820 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 1.352 53.479 52.037 0.149 0.000 0.628 257 A CB -0.702 18.397 19.000 0.164 0.000 0.814 257 A HN 0.284 nan 8.150 nan 0.000 0.444 258 R N 0.067 120.660 120.500 0.156 0.000 2.081 258 R HA -0.141 4.199 4.340 0.000 0.000 0.235 258 R C 2.054 178.407 176.300 0.087 0.000 1.131 258 R CA 1.839 58.023 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 0.207 120.457 120.200 0.083 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 0.707 57.141 56.400 0.055 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 -0.686 120.457 121.223 -0.133 0.000 2.418 260 L HA 0.136 4.476 4.340 0.000 0.000 0.218 260 L C 1.558 178.469 176.870 0.069 0.000 1.125 260 L CA 0.530 55.311 54.840 -0.098 0.000 0.835 260 L CB 0.086 42.013 42.059 -0.219 0.000 0.953 260 L HN 0.411 nan 8.230 nan 0.000 0.454 261 G N 0.660 109.496 108.800 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 0.371 175.350 174.900 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 -1.925 118.030 119.914 0.067 0.000 3.003 262 V HA 0.693 4.814 4.120 0.000 0.000 0.305 262 V C 0.007 176.113 176.094 0.020 0.000 1.078 262 V CA -0.770 61.538 62.300 0.013 0.000 1.083 262 V CB 1.235 33.021 31.823 -0.061 0.000 1.039 262 V HN 0.099 nan 8.190 nan 0.000 0.481 263 P HA 0.296 nan 4.420 nan 0.000 0.245 263 P C 0.061 177.336 177.300 -0.041 0.000 1.203 263 P CA 0.584 63.685 63.100 0.003 0.000 0.792 263 P CB 0.582 32.304 31.700 0.037 0.000 0.997 264 I N 0.238 120.781 120.570 -0.044 0.000 2.692 264 I HA 0.332 4.502 4.170 0.000 0.000 0.293 264 I C -0.969 175.087 176.117 -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 40.404 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 -0.673 175.381 176.094 -0.067 0.000 1.160 265 V CA -0.754 61.514 62.300 -0.053 0.000 1.044 265 V CB 1.921 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 1.325 120.944 119.600 0.032 0.000 2.531 266 M HA 0.702 5.182 4.480 0.000 0.000 0.286 266 M C -1.973 174.440 176.300 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 0.962 120.066 119.070 0.057 0.000 2.974 267 H HA 0.442 4.998 4.556 0.000 0.000 0.366 267 H C -1.928 173.452 175.328 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 31.489 29.762 0.013 0.000 1.799 267 H HN 0.631 nan 8.280 nan 0.000 0.541 268 D N 4.546 124.675 120.400 -0.452 0.000 2.479 268 D HA 0.012 4.652 4.640 0.000 0.000 0.218 268 D C 0.723 176.727 176.300 -0.494 0.000 1.131 268 D CA -0.189 53.634 54.000 -0.295 0.000 0.916 268 D CB -0.032 40.621 40.800 -0.245 0.000 1.022 268 D HN 0.601 nan 8.370 nan 0.000 0.515 269 Y N 1.317 121.378 120.300 -0.397 0.000 2.333 269 Y HA -0.092 4.458 4.550 0.000 0.000 0.290 269 Y C 1.213 176.879 175.900 -0.390 0.000 1.144 269 Y CA 1.040 58.958 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 0.206 121.002 121.223 -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 1.339 55.757 54.840 -0.704 0.000 0.790 270 L CB -0.636 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 0.778 62.756 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 0.298 nan 8.240 nan 0.000 0.470 272 G N 1.461 110.124 108.800 -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 0.813 175.686 174.900 -0.046 0.000 1.189 272 G CA 0.279 45.313 45.100 -0.111 0.000 0.789 272 G HN 1.206 nan 8.290 nan 0.000 0.533 273 G N -2.171 106.560 108.800 -0.116 0.000 2.428 273 G HA2 0.078 4.038 3.960 0.000 0.000 0.681 273 G HA3 0.078 4.038 3.960 0.000 0.000 0.681 273 G C 0.028 174.883 174.900 -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 0.485 120.494 119.950 0.098 0.000 2.186 274 F HA 0.043 4.570 4.527 0.001 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 38.470 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 63.681 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 -0.310 118.416 118.700 0.043 0.000 2.120 277 N HA -0.145 4.595 4.740 0.000 0.000 0.188 277 N C 1.545 177.029 175.510 -0.043 0.000 1.024 277 N CA 1.996 55.053 53.050 0.011 0.000 0.852 277 N CB -0.148 38.501 38.487 0.269 0.000 1.003 277 N HN 0.419 nan 8.380 nan 0.000 0.424 278 T N -0.202 114.337 114.554 -0.025 0.000 2.788 278 T HA -0.083 4.267 4.350 0.000 0.000 0.268 278 T C 1.829 176.310 174.700 -0.366 0.000 1.044 278 T CA 1.559 63.554 62.100 -0.174 0.000 1.139 278 T CB -0.544 68.240 68.868 -0.140 0.000 0.867 278 T HN 0.303 nan 8.240 nan 0.000 0.454 279 T N 2.086 116.504 114.554 -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 0.810 62.813 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 0.953 122.103 121.223 -0.121 0.000 2.093 280 L HA 0.056 4.396 4.340 0.000 0.000 0.208 280 L C 2.617 179.509 176.870 0.036 0.000 1.085 280 L CA 1.661 56.458 54.840 -0.072 0.000 0.755 280 L CB -0.958 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 -1.507 114.189 115.700 -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 1.344 59.578 58.200 0.057 0.000 0.999 281 S CB -0.394 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 -0.718 118.362 119.070 0.017 0.000 2.357 282 H HA 0.010 4.566 4.556 0.000 0.000 0.301 282 H C 1.749 177.083 175.328 0.011 0.000 1.082 282 H CA 1.550 57.600 56.048 0.003 0.000 1.342 282 H CB -1.031 28.739 29.762 0.014 0.000 1.389 282 H HN 0.639 nan 8.280 nan 0.000 0.511 283 Y N 0.449 120.807 120.300 0.097 0.000 2.224 283 Y HA -0.243 4.308 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 1.322 59.450 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 0.126 119.489 119.300 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 60.368 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 0.576 nan 8.230 nan 0.000 0.492 285 R N 1.864 122.322 120.500 -0.071 0.000 2.081 285 R HA -0.090 4.251 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 1.974 57.964 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 -0.208 120.097 120.400 -0.157 0.000 2.264 286 D HA -0.054 4.587 4.640 0.000 0.000 0.208 286 D C 0.383 176.561 176.300 -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 -0.259 0.000 2.200 287 N HA 0.135 4.875 4.740 0.000 0.000 0.224 287 N C 0.803 176.280 175.510 -0.056 0.000 1.179 287 N CA 0.300 53.224 53.050 -0.209 0.000 0.877 287 N CB 1.855 40.095 38.487 -0.412 0.000 1.072 287 N HN 0.056 nan 8.380 nan 0.000 0.519 288 G N 1.561 110.385 108.800 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 -0.131 174.782 174.900 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 -0.086 121.191 121.223 0.091 0.000 2.307 289 L HA 0.588 4.928 4.340 0.000 0.000 0.282 289 L C 1.022 177.888 176.870 -0.007 0.000 1.051 289 L CA -1.045 53.805 54.840 0.018 0.000 0.804 289 L CB 1.371 43.474 42.059 0.074 0.000 1.197 289 L HN 0.038 nan 8.230 nan 0.000 0.431 290 L N 3.652 124.782 121.223 -0.156 0.000 2.371 290 L HA 0.288 4.628 4.340 0.000 0.000 0.272 290 L C -0.431 176.330 176.870 -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 43.081 42.059 -0.279 0.000 1.129 290 L HN 0.383 nan 8.230 nan 0.000 0.448 291 L N 3.076 124.191 121.223 -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 -0.343 0.000 1.005 291 L CA -0.229 54.494 54.840 -0.195 0.000 0.828 291 L CB 1.040 43.052 42.059 -0.079 0.000 1.227 291 L HN 0.456 nan 8.230 nan 0.000 0.415 292 H N 5.414 124.163 119.070 -0.535 0.000 2.527 292 H HA 0.586 5.142 4.556 0.000 0.000 0.321 292 H C -0.903 174.270 175.328 -0.259 0.000 1.087 292 H CA -0.489 55.206 56.048 -0.587 0.000 1.337 292 H CB 0.756 29.938 29.762 -0.965 0.000 1.440 292 H HN 0.517 nan 8.280 nan 0.000 0.490 293 I N 5.512 125.684 120.570 -0.663 0.000 2.404 293 I HA 0.179 4.349 4.170 0.000 0.000 0.293 293 I C 0.083 175.932 176.117 -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 5.827 124.784 119.070 -0.190 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 -0.033 0.000 1.127 294 H CA -0.414 55.488 56.048 -0.244 0.000 1.238 294 H CB 1.900 31.534 29.762 -0.213 0.000 1.478 294 H HN 0.481 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 0.458 4.798 4.340 0.000 0.000 0.306 295 R C 0.234 176.595 176.300 0.103 0.000 1.079 295 R CA -0.572 55.619 56.100 0.151 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 1.658 124.503 122.820 0.041 0.000 2.598 296 A HA 0.040 4.360 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 0.910 52.939 52.037 -0.013 0.000 0.760 296 A CB -0.211 18.726 19.000 -0.106 0.000 0.946 296 A HN 0.870 nan 8.150 nan 0.000 0.512 297 M N 0.612 120.192 119.600 -0.032 0.000 3.019 297 M HA -0.289 4.191 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 57.115 55.300 -0.081 0.000 0.816 297 M CB -2.087 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 1.739 177.029 175.328 -0.064 0.000 1.081 298 H CA 1.616 57.626 56.048 -0.063 0.000 1.345 298 H CB -0.411 29.348 29.762 -0.005 0.000 1.393 298 H HN 0.478 nan 8.280 nan 0.000 0.520 299 A N 1.173 123.494 122.820 -0.833 0.000 2.172 299 A HA 0.015 4.335 4.320 0.000 0.000 0.216 299 A C 2.282 179.714 177.584 -0.252 0.000 1.154 299 A CA 1.019 52.717 52.037 -0.565 0.000 0.701 299 A CB -0.648 18.005 19.000 -0.578 0.000 0.789 299 A HN 0.374 nan 8.150 nan 0.000 0.465 300 V N -0.622 119.177 119.914 -0.192 0.000 2.809 300 V HA -0.127 3.993 4.120 0.000 0.000 0.256 300 V C 2.022 178.069 176.094 -0.079 0.000 1.080 300 V CA 1.717 63.948 62.300 -0.116 0.000 1.102 300 V CB -0.390 31.372 31.823 -0.101 0.000 0.705 300 V HN 0.620 nan 8.190 nan 0.000 0.475 301 I N 0.368 120.890 120.570 -0.080 0.000 3.616 301 I HA 0.042 4.212 4.170 0.000 0.000 0.296 301 I C 1.569 177.675 176.117 -0.019 0.000 1.226 301 I CA 0.779 62.049 61.300 -0.050 0.000 1.394 301 I CB 0.145 38.102 38.000 -0.071 0.000 1.171 301 I HN 0.421 nan 8.210 nan 0.000 0.442 302 D N -0.278 120.106 120.400 -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 -0.054 53.941 54.000 -0.007 0.000 0.835 302 D CB 0.080 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 1.131 57.218 56.100 -0.021 0.000 0.952 303 R CB -0.171 30.095 30.300 -0.057 0.000 0.848 303 R HN 0.047 nan 8.270 nan 0.000 0.430 304 Q N 0.773 120.603 119.800 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 56.053 55.803 0.076 0.000 0.893 304 Q CB 1.444 30.229 28.738 0.077 0.000 1.215 304 Q HN 0.204 nan 8.270 nan 0.000 0.425 305 K N 2.164 122.629 120.400 0.108 0.000 2.366 305 K HA -0.088 4.232 4.320 0.000 0.000 0.198 305 K C 1.017 177.685 176.600 0.114 0.000 1.044 305 K CA 0.981 57.340 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 -1.063 117.708 118.700 0.118 0.000 2.356 306 N HA -0.080 4.660 4.740 0.000 0.000 0.178 306 N C -0.389 175.232 175.510 0.185 0.000 1.075 306 N CA 0.280 53.404 53.050 0.124 0.000 0.889 306 N CB 0.164 38.713 38.487 0.104 0.000 0.999 306 N HN 0.166 nan 8.380 nan 0.000 0.464 307 H N -1.229 117.903 119.070 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 0.405 56.546 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 4.855 4.480 0.000 0.000 0.289 309 M C -0.343 175.995 176.300 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 34.946 32.600 -0.136 0.000 1.669 309 M HN 0.775 nan 8.290 nan 0.000 0.461 310 H N 1.623 120.713 119.070 0.032 0.000 2.679 310 H HA 0.103 4.659 4.556 0.000 0.000 0.369 310 H C 0.103 175.495 175.328 0.105 0.000 1.178 310 H CA 0.634 56.739 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 3.967 123.625 119.950 -0.487 0.000 2.202 311 F HA -0.184 4.343 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 1.592 59.413 58.000 -0.298 0.000 1.313 311 F CB -0.114 38.592 39.000 -0.489 0.000 1.024 311 F HN 0.658 nan 8.300 nan 0.000 0.495 312 R N -0.511 120.059 120.500 0.117 0.000 2.152 312 R HA -0.105 4.235 4.340 0.000 0.000 0.232 312 R C 1.734 178.010 176.300 -0.041 0.000 1.117 312 R CA 1.805 57.931 56.100 0.043 0.000 0.981 312 R CB -1.348 29.162 30.300 0.351 0.000 0.870 312 R HN 0.291 nan 8.270 nan 0.000 0.451 313 V N 1.716 121.635 119.914 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 1.341 63.665 62.300 0.040 0.000 1.049 313 V CB -0.309 31.542 31.823 0.046 0.000 0.672 313 V HN 0.275 nan 8.190 nan 0.000 0.457 314 L N 0.064 121.235 121.223 -0.087 0.000 2.217 314 L HA -0.037 4.303 4.340 0.000 0.000 0.211 314 L C 2.600 179.371 176.870 -0.164 0.000 1.107 314 L CA 1.158 56.004 54.840 0.010 0.000 0.783 314 L CB -0.669 41.399 42.059 0.014 0.000 0.919 314 L HN 0.346 nan 8.230 nan 0.000 0.442 315 A N 0.119 122.589 122.820 -0.583 0.000 1.930 315 A HA -0.133 4.187 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 52.814 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 2.291 178.899 176.600 0.014 0.000 1.050 316 K CA 1.077 57.434 56.287 0.115 0.000 0.935 316 K CB -0.316 32.290 32.500 0.176 0.000 0.715 316 K HN 0.413 nan 8.250 nan 0.000 0.439 317 A N 1.829 124.634 122.820 -0.025 0.000 1.978 317 A HA -0.163 4.157 4.320 0.000 0.000 0.220 317 A C 2.024 179.567 177.584 -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 18.431 19.000 -0.112 0.000 0.810 317 A HN 0.251 nan 8.150 nan 0.000 0.448 318 L N -0.487 120.735 121.223 -0.001 0.000 2.072 318 L HA -0.053 4.287 4.340 0.000 0.000 0.205 318 L C 2.413 179.168 176.870 -0.192 0.000 1.079 318 L CA 2.140 56.895 54.840 -0.143 0.000 0.752 318 L CB -0.845 40.944 42.059 -0.449 0.000 0.906 318 L HN 0.537 nan 8.230 nan 0.000 0.436 319 R N -0.383 119.986 120.500 -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 1.218 57.147 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 -0.089 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 1.316 55.928 54.840 -0.379 0.000 0.749 320 L CB -0.628 40.867 42.059 -0.940 0.000 0.907 320 L HN 0.232 nan 8.230 nan 0.000 0.439 321 S N -0.731 114.905 115.700 -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 59.380 58.200 0.066 0.000 1.005 321 S CB -0.255 63.039 63.200 0.156 0.000 0.867 321 S HN 0.611 nan 8.310 nan 0.000 0.449 322 G N -1.628 107.160 108.800 -0.019 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 -0.337 174.514 174.900 -0.082 0.000 1.401 322 G CA -0.433 44.646 45.100 -0.036 0.000 0.941 322 G HN 1.101 nan 8.290 nan 0.000 0.610 323 G N 0.469 109.203 108.800 -0.111 0.000 2.596 323 G HA2 0.586 4.546 3.960 0.000 0.000 0.296 323 G HA3 0.586 4.546 3.960 0.000 0.000 0.296 323 G C -0.213 174.616 174.900 -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 -0.401 119.932 120.400 -0.111 0.000 2.301 324 D HA 0.100 4.740 4.640 0.000 0.000 0.206 324 D C 0.359 176.712 176.300 0.089 0.000 0.979 324 D CA 0.992 54.971 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 -0.751 118.193 119.070 -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 3.154 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 1.523 122.010 120.570 -0.138 0.000 2.644 326 I HA 0.136 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 -0.525 60.678 61.300 -0.161 0.000 1.040 326 I CB 1.836 39.756 38.000 -0.133 0.000 1.255 326 I HN 0.684 nan 8.210 nan 0.000 0.422 327 H N 5.051 123.981 119.070 -0.233 0.000 2.964 327 H HA 0.098 4.654 4.556 0.000 0.000 0.328 327 H C 0.468 175.707 175.328 -0.150 0.000 1.030 327 H CA 0.811 56.744 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 1.906 117.559 115.700 -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 0.103 0.000 1.039 328 S CA 0.058 58.307 58.200 0.082 0.000 1.113 328 S CB 0.961 64.355 63.200 0.324 0.000 1.092 328 S HN 1.086 nan 8.310 nan 0.000 0.620 329 G N 1.222 109.996 108.800 -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 0.190 45.296 45.100 0.010 0.000 0.855 329 G HN 1.070 nan 8.290 nan 0.000 0.560 330 T N -3.324 111.248 114.554 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 1.313 63.442 62.100 0.049 0.000 0.950 330 T CB 0.560 69.361 68.868 -0.113 0.000 1.090 330 T HN 2.272 nan 8.240 nan 0.000 0.503 331 V N 0.871 120.816 119.914 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 -0.679 119.215 119.914 -0.034 0.000 3.623 332 V HA 0.621 4.741 4.120 0.000 0.000 0.271 332 V C 1.171 177.196 176.094 -0.115 0.000 1.248 332 V CA 1.572 63.839 62.300 -0.055 0.000 1.156 332 V CB -0.223 31.535 31.823 -0.109 0.000 0.870 332 V HN 0.950 nan 8.190 nan 0.000 0.453 333 G N 1.237 109.933 108.800 -0.173 0.000 2.695 333 G HA2 0.286 4.247 3.960 0.000 0.000 0.213 333 G HA3 0.286 4.247 3.960 0.000 0.000 0.213 333 G C 0.695 175.335 174.900 -0.433 0.000 1.406 333 G CA -0.020 44.905 45.100 -0.292 0.000 1.049 333 G HN 0.470 nan 8.290 nan 0.000 0.573 334 K N -1.095 118.825 120.400 -0.800 0.000 2.432 334 K HA 0.179 4.499 4.320 0.000 0.000 0.196 334 K C 0.167 176.582 176.600 -0.308 0.000 1.038 334 K CA 0.384 56.191 56.287 -0.800 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 1.663 122.764 121.223 -0.203 0.000 2.342 335 L HA 0.323 4.663 4.340 0.000 0.000 0.271 335 L C -0.121 176.719 176.870 -0.050 0.000 1.008 335 L CA -1.170 53.604 54.840 -0.110 0.000 0.818 335 L CB 1.942 43.955 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 4.697 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 0.410 56.820 56.400 0.015 0.000 0.934 336 E CB 0.603 30.310 29.700 0.012 0.000 0.943 336 E HN 0.758 nan 8.360 nan 0.000 0.444 337 G N 3.905 112.750 108.800 0.075 0.000 1.882 337 G HA2 0.005 3.966 3.960 0.000 0.000 0.256 337 G HA3 0.005 3.966 3.960 0.000 0.000 0.256 337 G C -1.159 173.790 174.900 0.081 0.000 2.065 337 G CA -0.780 44.383 45.100 0.105 0.000 0.882 337 G HN 0.391 nan 8.290 nan 0.000 0.574 338 E N 1.594 121.849 120.200 0.091 0.000 2.354 338 E HA 0.183 4.533 4.350 0.000 0.000 0.269 338 E C 1.367 177.967 176.600 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 31.742 29.700 0.074 0.000 1.009 338 E HN 0.624 nan 8.360 nan 0.000 0.416 339 R N 2.144 122.628 120.500 -0.027 0.000 2.080 339 R HA -0.200 4.140 4.340 0.000 0.000 0.236 339 R C 0.897 177.131 176.300 -0.110 0.000 1.137 339 R CA 1.973 58.022 56.100 -0.086 0.000 0.943 339 R CB 0.089 30.343 30.300 -0.077 0.000 0.846 339 R HN 0.422 nan 8.270 nan 0.000 0.431 340 D N 0.157 120.517 120.400 -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 -0.104 40.675 40.800 -0.034 0.000 0.973 340 D HN 0.293 nan 8.370 nan 0.000 0.460 341 I N 0.482 121.034 120.570 -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 0.957 62.266 61.300 0.014 0.000 1.404 341 I CB -0.181 37.919 38.000 0.167 0.000 1.071 341 I HN 0.010 nan 8.210 nan 0.000 0.419 342 T N 1.257 115.616 114.554 -0.325 0.000 2.737 342 T HA -0.100 4.250 4.350 0.000 0.000 0.265 342 T C 1.929 176.228 174.700 -0.667 0.000 1.038 342 T CA 1.149 62.781 62.100 -0.779 0.000 1.144 342 T CB -0.289 68.367 68.868 -0.355 0.000 0.866 342 T HN 0.235 nan 8.240 nan 0.000 0.434 343 L N 0.751 121.763 121.223 -0.352 0.000 2.187 343 L HA -0.038 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 1.091 55.788 54.840 -0.238 0.000 0.765 343 L CB -0.850 41.103 42.059 -0.177 0.000 0.904 343 L HN 0.354 nan 8.230 nan 0.000 0.437 344 G N 0.940 109.645 108.800 -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 0.084 0.000 1.188 344 G CA 0.849 45.936 45.100 -0.022 0.000 0.783 344 G HN 0.479 nan 8.290 nan 0.000 0.537 345 F N 0.604 120.651 119.950 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 -0.192 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 1.160 121.176 119.914 0.171 0.000 2.427 346 V HA -0.222 3.898 4.120 0.000 0.000 0.248 346 V C 2.034 178.219 176.094 0.152 0.000 1.051 346 V CA 2.205 64.634 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 -0.004 120.464 120.400 0.112 0.000 2.144 347 D HA -0.074 4.566 4.640 0.000 0.000 0.200 347 D C 2.088 178.471 176.300 0.139 0.000 0.978 347 D CA 1.031 55.093 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 0.104 121.445 121.223 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 0.447 55.452 54.840 0.274 0.000 0.775 348 L CB -0.121 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 2.621 179.387 176.870 -0.173 0.000 1.086 349 L CA 0.893 55.670 54.840 -0.104 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 -0.956 119.506 120.500 -0.064 0.000 2.175 350 R HA 0.086 4.426 4.340 0.000 0.000 0.202 350 R C -0.075 176.198 176.300 -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 0.229 nan 8.270 nan 0.000 0.480 351 D N 0.276 120.680 120.400 0.007 0.000 2.388 351 D HA 0.013 4.653 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 -0.150 53.899 54.000 0.083 0.000 0.993 351 D CB 1.068 41.949 40.800 0.134 0.000 1.118 351 D HN -0.131 nan 8.370 nan 0.000 0.502 352 D N -1.482 119.052 120.400 0.223 0.000 2.333 352 D HA -0.040 4.600 4.640 0.000 0.000 0.208 352 D C -0.794 175.788 176.300 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 -0.645 119.798 120.300 0.237 0.000 2.436 353 Y HA 0.406 4.956 4.550 -0.000 0.000 0.327 353 Y C -1.680 174.311 175.900 0.153 0.000 1.138 353 Y CA -0.746 57.454 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 5.535 119.874 114.554 -0.357 0.000 2.928 354 T HA 0.263 4.613 4.350 0.000 0.000 0.296 354 T C -1.119 173.314 174.700 -0.445 0.000 1.000 354 T CA -0.703 61.255 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 -0.760 55.505 56.400 -0.225 0.000 0.863 355 E CB 0.800 30.463 29.700 -0.062 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 -0.976 175.597 176.600 -0.044 0.000 0.987 356 K CA 0.789 57.060 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 0.222 176.452 176.300 -0.117 0.000 1.334 357 D CA -0.446 53.510 54.000 -0.072 0.000 0.909 357 D CB 0.440 41.215 40.800 -0.041 0.000 1.513 357 D HN 0.524 nan 8.370 nan 0.000 0.514 358 R N 0.679 121.073 120.500 -0.176 0.000 2.249 358 R HA -0.088 4.252 4.340 0.000 0.000 0.230 358 R C 1.797 178.001 176.300 -0.160 0.000 1.121 358 R CA 1.217 57.164 56.100 -0.255 0.000 0.997 358 R CB -0.574 29.556 30.300 -0.284 0.000 0.867 358 R HN 0.500 nan 8.270 nan 0.000 0.465 359 S N 0.323 115.965 115.700 -0.098 0.000 2.447 359 S HA -0.063 4.407 4.470 0.000 0.000 0.233 359 S C 1.608 176.177 174.600 -0.050 0.000 1.006 359 S CA 0.616 58.778 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 0.279 120.748 120.500 -0.052 0.000 2.432 360 R HA 0.325 4.665 4.340 0.000 0.000 0.260 360 R C 1.219 177.512 176.300 -0.012 0.000 0.935 360 R CA 0.335 56.418 56.100 -0.028 0.000 1.080 360 R CB 0.337 30.623 30.300 -0.022 0.000 1.155 360 R HN 0.532 nan 8.270 nan 0.000 0.531 361 G N 1.814 110.584 108.800 -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 -0.192 44.905 45.100 -0.005 0.000 0.689 361 G HN 0.273 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 1.252 177.380 176.117 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 5.341 125.579 120.300 -0.103 0.000 2.457 363 Y HA 0.135 4.684 4.550 -0.000 0.000 0.292 363 Y C 0.293 175.921 175.900 -0.454 0.000 1.125 363 Y CA 0.431 58.343 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 0.302 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 0.415 4.941 4.527 -0.000 0.000 0.311 364 F C 0.214 176.024 175.800 0.016 0.000 1.076 364 F CA -1.628 56.441 58.000 0.115 0.000 0.937 364 F CB 1.112 40.182 39.000 0.116 0.000 1.282 364 F HN -0.515 nan 8.300 nan 0.000 0.460 365 T N 1.570 116.231 114.554 0.179 0.000 2.851 365 T HA 0.335 4.685 4.350 0.000 0.000 0.298 365 T C -0.625 174.035 174.700 -0.067 0.000 0.977 365 T CA -0.168 61.919 62.100 -0.023 0.000 1.126 365 T CB 0.847 69.694 68.868 -0.036 0.000 0.916 365 T HN 0.430 nan 8.240 nan 0.000 0.529 366 Q N 2.033 121.719 119.800 -0.190 0.000 2.340 366 Q HA 0.553 4.893 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 1.480 30.056 28.738 -0.271 0.000 1.286 366 Q HN 0.594 nan 8.270 nan 0.000 0.448 367 S N 2.993 118.520 115.700 -0.289 0.000 2.537 367 S HA 0.466 4.936 4.470 0.000 0.000 0.301 367 S C -0.758 173.652 174.600 -0.316 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 0.822 122.174 121.300 0.085 0.000 2.870 368 W HA 0.226 4.887 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 -0.514 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 -2.141 113.650 115.700 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 -1.812 61.431 63.200 0.070 0.000 1.136 370 S HN 1.488 nan 8.310 nan 0.000 0.635 371 T N 3.773 118.406 114.554 0.130 0.000 2.867 371 T HA 0.319 4.669 4.350 0.000 0.000 0.297 371 T C -1.765 172.921 174.700 -0.023 0.000 0.989 371 T CA -0.485 61.656 62.100 0.069 0.000 1.159 371 T CB 0.367 69.322 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 0.377 177.593 177.300 -0.140 0.000 1.217 372 P CA -0.258 62.804 63.100 -0.064 0.000 0.783 372 P CB 0.377 32.051 31.700 -0.043 0.000 0.898 373 G N 0.197 108.928 108.800 -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 -0.882 173.945 174.900 -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 1.541 121.368 119.914 -0.145 0.000 2.472 374 V HA 0.275 4.396 4.120 0.000 0.000 0.290 374 V C -0.114 175.942 176.094 -0.063 0.000 1.037 374 V CA -0.870 61.369 62.300 -0.102 0.000 0.908 374 V CB 1.554 33.290 31.823 -0.145 0.000 0.985 374 V HN 0.538 nan 8.190 nan 0.000 0.454 375 L N 8.415 129.612 121.223 -0.043 0.000 2.313 375 L HA 0.440 4.780 4.340 0.000 0.000 0.282 375 L C -2.027 174.763 176.870 -0.134 0.000 1.092 375 L CA -1.593 53.194 54.840 -0.089 0.000 0.831 375 L CB 0.951 42.923 42.059 -0.145 0.000 1.159 375 L HN 0.450 nan 8.230 nan 0.000 0.442 376 P HA 0.147 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 1.370 33.041 31.700 -0.048 0.000 0.933 377 V N 2.835 122.536 119.914 -0.354 0.000 2.357 377 V HA 0.485 4.606 4.120 0.000 0.000 0.284 377 V C 0.518 176.265 176.094 -0.578 0.000 1.018 377 V CA -0.834 61.185 62.300 -0.467 0.000 0.841 377 V CB 1.144 32.698 31.823 -0.448 0.000 0.991 377 V HN 0.681 nan 8.190 nan 0.000 0.437 378 A N 3.953 126.399 122.820 -0.623 0.000 2.269 378 A HA 0.785 5.106 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 51.547 52.037 -0.555 0.000 0.894 378 A CB 0.808 19.443 19.000 -0.609 0.000 1.147 378 A HN 0.921 nan 8.150 nan 0.000 0.537 379 S N 1.825 117.299 115.700 -0.377 0.000 2.543 379 S HA 0.721 5.192 4.470 0.000 0.000 0.271 379 S C -0.499 173.994 174.600 -0.179 0.000 1.148 379 S CA 0.390 58.406 58.200 -0.306 0.000 0.914 379 S CB 1.225 64.267 63.200 -0.263 0.000 1.096 379 S HN 2.534 nan 8.310 nan 0.000 0.471 380 G N 1.750 110.442 108.800 -0.180 0.000 2.421 380 G HA2 0.458 4.419 3.960 0.000 0.000 0.360 380 G HA3 0.458 4.419 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 -0.084 108.602 108.800 -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 0.820 45.795 45.100 -0.207 0.000 0.713 381 G HN 2.171 nan 8.290 nan 0.000 0.515 382 I N -1.844 118.707 120.570 -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 1.578 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 0.923 120.314 119.070 0.536 0.000 2.942 383 H HA 0.428 4.985 4.556 0.000 0.000 0.316 383 H C 0.655 176.034 175.328 0.084 0.000 1.323 383 H CA -0.478 55.618 56.048 0.081 0.000 1.144 383 H CB 0.694 30.245 29.762 -0.351 0.000 1.866 383 H HN 0.379 nan 8.280 nan 0.000 0.545 384 V N -2.763 117.191 119.914 0.067 0.000 2.363 384 V HA -0.306 3.814 4.120 0.000 0.000 0.254 384 V C 1.296 177.341 176.094 -0.081 0.000 1.074 384 V CA 2.029 64.263 62.300 -0.110 0.000 1.069 384 V CB -1.265 30.410 31.823 -0.247 0.000 0.659 384 V HN 0.810 nan 8.190 nan 0.000 0.455 385 W N -0.442 120.953 121.300 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 29.130 29.460 0.063 0.000 1.122 385 W HN 0.367 nan 8.180 nan 0.000 0.607 386 H N -0.908 118.235 119.070 0.122 0.000 2.551 386 H HA 0.023 4.579 4.556 0.000 0.000 0.266 386 H C 1.896 177.294 175.328 0.116 0.000 0.964 386 H CA 0.814 56.905 56.048 0.071 0.000 1.180 386 H CB -0.262 29.488 29.762 -0.020 0.000 1.408 386 H HN 0.154 nan 8.280 nan 0.000 0.563 387 M N 1.376 121.112 119.600 0.227 0.000 2.108 387 M HA -0.092 4.388 4.480 0.000 0.000 0.257 387 M C -0.918 175.471 176.300 0.149 0.000 1.071 387 M CA 1.695 57.101 55.300 0.176 0.000 1.093 387 M CB -0.843 31.802 32.600 0.075 0.000 1.345 387 M HN 0.081 nan 8.290 nan 0.000 0.403 388 P HA -0.015 nan 4.420 nan 0.000 0.217 388 P C 1.052 178.419 177.300 0.111 0.000 1.151 388 P CA 1.928 65.097 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 -0.565 122.334 122.820 0.131 0.000 1.898 389 A HA -0.147 4.173 4.320 0.000 0.000 0.216 389 A C 2.166 179.802 177.584 0.087 0.000 1.181 389 A CA 1.356 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 -0.763 120.547 121.223 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 1.796 56.764 54.840 0.213 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 -1.202 113.444 114.554 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 1.151 63.327 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 0.770 121.005 120.200 0.057 0.000 2.076 392 E HA -0.020 4.330 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 0.660 57.069 56.400 0.014 0.000 0.807 392 E CB -0.087 29.622 29.700 0.014 0.000 0.761 392 E HN 0.479 nan 8.360 nan 0.000 0.454 393 I N -0.015 120.481 120.570 -0.122 0.000 2.233 393 I HA -0.220 3.950 4.170 0.000 0.000 0.243 393 I C 1.965 177.818 176.117 -0.440 0.000 1.093 393 I CA 1.028 62.122 61.300 -0.344 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 0.496 120.438 119.950 -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 58.672 58.000 -0.016 0.000 1.438 394 F CB -0.735 38.250 39.000 -0.026 0.000 1.107 394 F HN 0.146 nan 8.300 nan 0.000 0.546 395 G N 0.525 109.420 108.800 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 0.115 175.079 174.900 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 0.005 4.645 4.640 0.000 0.000 0.199 396 D C 0.947 177.281 176.300 0.057 0.000 0.984 396 D CA 1.485 55.526 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 0.404 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 0.181 4.821 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 0.029 40.854 40.800 0.041 0.000 1.068 397 D HN 0.030 nan 8.370 nan 0.000 0.511 398 S N -1.219 114.463 115.700 -0.030 0.000 2.611 398 S HA 0.594 5.064 4.470 0.000 0.000 0.268 398 S C -1.020 173.493 174.600 -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 1.677 121.452 119.914 -0.231 0.000 2.444 399 V HA 0.491 4.611 4.120 0.000 0.000 0.294 399 V C -0.859 175.101 176.094 -0.223 0.000 1.022 399 V CA -0.598 61.607 62.300 -0.159 0.000 0.850 399 V CB 1.213 32.929 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 4.930 4.340 0.000 0.000 0.289 400 L C -0.167 176.490 176.870 -0.354 0.000 1.032 400 L CA -0.334 54.337 54.840 -0.283 0.000 0.810 400 L CB 1.370 43.363 42.059 -0.110 0.000 1.205 400 L HN 0.613 nan 8.230 nan 0.000 0.422 401 Q N 3.195 122.661 119.800 -0.556 0.000 2.316 401 Q HA 0.556 4.896 4.340 0.000 0.000 0.264 401 Q C -1.503 174.101 176.000 -0.661 0.000 0.987 401 Q CA -0.433 55.117 55.803 -0.422 0.000 0.852 401 Q CB 2.440 31.047 28.738 -0.219 0.000 1.287 401 Q HN 0.399 nan 8.270 nan 0.000 0.448 402 F N 0.903 120.822 119.950 -0.052 0.000 2.532 402 F HA 0.367 4.894 4.527 0.000 0.000 0.365 402 F C 0.850 176.623 175.800 -0.045 0.000 1.112 402 F CA -0.686 57.279 58.000 -0.058 0.000 1.082 402 F CB 1.306 40.269 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 1.753 176.696 174.900 0.071 0.000 1.246 403 G CA 0.641 45.776 45.100 0.058 0.000 0.835 403 G HN 0.754 nan 8.290 nan 0.000 0.551 404 G N 0.642 109.477 108.800 0.059 0.000 2.432 404 G HA2 0.095 4.055 3.960 0.000 0.000 0.219 404 G HA3 0.095 4.055 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 1.282 46.429 45.100 0.079 0.000 0.767 404 G HN 0.667 nan 8.290 nan 0.000 0.550 405 G N -0.664 108.117 108.800 -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 1.393 176.307 174.900 0.024 0.000 1.141 405 G CA 1.563 46.535 45.100 -0.213 0.000 0.788 405 G HN 0.413 nan 8.290 nan 0.000 0.531 406 T N 0.012 114.643 114.554 0.127 0.000 3.138 406 T HA 0.098 4.448 4.350 0.000 0.000 0.245 406 T C 1.923 176.721 174.700 0.163 0.000 0.982 406 T CA -0.178 62.000 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 1.652 122.955 121.223 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 0.826 55.739 54.840 0.121 0.000 0.866 407 L CB -0.225 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 -1.169 54.888 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 1.113 64.251 63.100 0.063 0.000 0.808 410 P CB 0.074 31.705 31.700 -0.116 0.000 0.779 411 W N 0.414 121.924 121.300 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 57.917 57.345 0.141 0.000 1.759 411 W CB -0.682 28.842 29.460 0.107 0.000 1.093 411 W HN 0.073 nan 8.180 nan 0.000 0.648 412 G N 0.694 109.641 108.800 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 0.621 175.531 174.900 0.017 0.000 1.278 412 G CA -0.203 44.961 45.100 0.107 0.000 0.965 412 G HN -0.041 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 2.561 55.583 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 1.086 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 17.329 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 1.625 178.588 177.300 -0.562 0.000 1.149 415 P CA 1.547 64.484 63.100 -0.271 0.000 0.817 415 P CB -0.277 31.324 31.700 -0.165 0.000 0.785 416 G N 0.042 108.523 108.800 -0.531 0.000 2.408 416 G HA2 -0.209 3.751 3.960 0.000 0.000 0.217 416 G HA3 -0.209 3.751 3.960 0.000 0.000 0.217 416 G C 1.587 176.394 174.900 -0.154 0.000 1.150 416 G CA 0.836 45.741 45.100 -0.324 0.000 0.776 416 G HN 0.299 nan 8.290 nan 0.000 0.542 417 A N 0.218 122.953 122.820 -0.141 0.000 1.897 417 A HA 0.144 4.465 4.320 0.000 0.000 0.215 417 A C 2.574 180.088 177.584 -0.115 0.000 1.181 417 A CA 1.587 53.561 52.037 -0.106 0.000 0.620 417 A CB -0.615 18.332 19.000 -0.089 0.000 0.821 417 A HN 0.221 nan 8.150 nan 0.000 0.443 418 V N 0.199 120.041 119.914 -0.120 0.000 2.332 418 V HA -0.304 3.816 4.120 0.000 0.000 0.248 418 V C 3.051 179.076 176.094 -0.114 0.000 1.055 418 V CA 1.985 64.230 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 0.632 123.363 122.820 -0.148 0.000 1.865 419 A HA -0.318 4.002 4.320 0.000 0.000 0.217 419 A C 2.037 179.508 177.584 -0.190 0.000 1.191 419 A CA 2.605 54.550 52.037 -0.153 0.000 0.623 419 A CB -0.911 18.054 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 -0.145 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 1.340 54.188 53.050 -0.335 0.000 0.858 420 N CB -0.146 38.034 38.487 -0.511 0.000 0.989 420 N HN 0.443 nan 8.380 nan 0.000 0.426 421 R N 1.033 121.462 120.500 -0.117 0.000 2.075 421 R HA 0.024 4.364 4.340 0.000 0.000 0.232 421 R C 1.670 177.955 176.300 -0.026 0.000 1.126 421 R CA 0.991 57.058 56.100 -0.054 0.000 0.963 421 R CB -0.666 29.611 30.300 -0.038 0.000 0.858 421 R HN 0.029 nan 8.270 nan 0.000 0.435 422 V N 0.723 120.615 119.914 -0.037 0.000 2.307 422 V HA -0.142 3.978 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 -0.854 30.937 31.823 -0.053 0.000 0.651 422 V HN 0.527 nan 8.190 nan 0.000 0.449 423 A N -0.202 122.546 122.820 -0.120 0.000 1.908 423 A HA -0.240 4.080 4.320 0.000 0.000 0.218 423 A C 2.179 179.736 177.584 -0.045 0.000 1.181 423 A CA 2.331 54.291 52.037 -0.128 0.000 0.627 423 A CB -0.581 18.301 19.000 -0.198 0.000 0.818 423 A HN 0.473 nan 8.150 nan 0.000 0.445 424 L N -0.180 121.027 121.223 -0.027 0.000 2.027 424 L HA -0.102 4.238 4.340 0.000 0.000 0.206 424 L C 2.221 179.116 176.870 0.042 0.000 1.074 424 L CA 2.315 57.169 54.840 0.023 0.000 0.745 424 L CB -0.534 41.545 42.059 0.034 0.000 0.898 424 L HN 0.491 nan 8.230 nan 0.000 0.433 425 E N -0.366 119.863 120.200 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 0.770 123.651 122.820 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 -0.739 18.333 19.000 0.121 0.000 0.818 426 A HN 0.347 nan 8.150 nan 0.000 0.443 427 C N -1.429 117.908 119.300 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 -1.196 26.581 27.740 0.061 0.000 1.987 427 C HN 0.445 nan 8.230 nan 0.000 0.492 428 V N 0.636 120.584 119.914 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 30.997 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 -0.242 4.098 4.340 0.000 0.000 0.204 429 Q C 2.264 178.289 176.000 0.043 0.000 0.984 429 Q CA 2.222 58.050 55.803 0.043 0.000 0.846 429 Q CB -0.312 28.453 28.738 0.045 0.000 0.902 429 Q HN 0.623 nan 8.270 nan 0.000 0.421 430 A N 1.508 124.359 122.820 0.052 0.000 1.865 430 A HA -0.257 4.064 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 0.032 120.559 120.500 0.044 0.000 2.083 431 R HA -0.171 4.169 4.340 0.000 0.000 0.237 431 R C 1.893 178.213 176.300 0.033 0.000 1.137 431 R CA 1.979 58.102 56.100 0.039 0.000 0.951 431 R CB -0.602 29.724 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 -0.152 4.588 4.740 0.000 0.000 0.184 432 N C 1.100 176.624 175.510 0.024 0.000 1.016 432 N CA 1.032 54.099 53.050 0.028 0.000 0.872 432 N CB 0.019 38.522 38.487 0.027 0.000 0.973 432 N HN 0.449 nan 8.380 nan 0.000 0.433 433 E N -0.564 119.651 120.200 0.025 0.000 2.481 433 E HA 0.028 4.378 4.350 0.000 0.000 0.195 433 E C 1.051 177.664 176.600 0.021 0.000 1.047 433 E CA 0.186 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 0.269 175.184 174.900 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 0.912 121.429 120.500 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 -0.121 55.998 56.100 0.032 0.000 1.133 435 R CB 0.514 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 1.231 177.553 176.300 0.038 0.000 1.123 436 D CA -0.176 53.843 54.000 0.031 0.000 0.869 436 D CB 0.774 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 2.956 124.204 121.223 0.041 0.000 2.187 437 L HA -0.198 4.142 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 1.215 56.085 54.840 0.051 0.000 0.765 437 L CB -0.310 41.781 42.059 0.053 0.000 0.904 437 L HN 0.409 nan 8.230 nan 0.000 0.437 438 A N 0.183 123.027 122.820 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 -0.510 120.011 120.500 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 0.266 120.495 120.200 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 0.086 56.521 56.400 0.058 0.000 0.874 440 E CB 0.586 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 2.712 111.563 108.800 0.085 0.000 2.586 441 G HA2 -0.372 3.588 3.960 0.000 0.000 0.218 441 G HA3 -0.372 3.588 3.960 0.000 0.000 0.218 441 G C 1.319 176.317 174.900 0.163 0.000 1.216 441 G CA 1.195 46.364 45.100 0.115 0.000 0.786 441 G HN 0.292 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 1.181 54.409 53.050 0.296 0.000 0.876 442 N CB -0.088 38.509 38.487 0.184 0.000 0.972 442 N HN 0.271 nan 8.380 nan 0.000 0.434 443 T N 1.167 115.805 114.554 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 2.178 178.314 176.117 0.032 0.000 1.088 444 I CA 0.948 62.291 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 0.473 121.050 120.570 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 1.457 62.670 61.300 -0.144 0.000 1.368 445 I CB -1.231 36.597 38.000 -0.286 0.000 1.058 445 I HN 0.213 nan 8.210 nan 0.000 0.410 446 R N 1.406 121.913 120.500 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 1.555 57.685 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 1.903 178.492 176.600 -0.018 0.000 0.989 447 E CA 1.223 57.651 56.400 0.046 0.000 0.800 447 E CB -0.193 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 1.315 124.054 122.820 -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 1.876 53.596 52.037 -0.528 0.000 0.635 448 A CB -1.053 17.702 19.000 -0.409 0.000 0.810 448 A HN 0.402 nan 8.150 nan 0.000 0.445 449 T N -2.312 111.964 114.554 -0.463 0.000 2.946 449 T HA -0.112 4.238 4.350 0.000 0.000 0.271 449 T C 1.528 176.047 174.700 -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 0.780 121.034 120.400 -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 0.019 0.000 1.048 450 K CA 0.836 57.089 56.287 -0.058 0.000 0.956 450 K CB -0.241 32.300 32.500 0.069 0.000 0.746 450 K HN 0.886 nan 8.250 nan 0.000 0.461 451 W N -0.838 120.460 121.300 -0.003 0.000 2.714 451 W HA 0.390 5.051 4.660 0.000 0.000 0.353 451 W C -0.137 176.384 176.519 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 -0.451 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 -0.211 0.000 1.197 452 S CA -1.205 56.781 58.200 -0.357 0.000 1.146 452 S CB 1.283 64.032 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 1.030 64.150 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 -0.693 119.426 120.200 -0.134 0.000 2.051 454 E HA -0.153 4.197 4.350 0.000 0.000 0.192 454 E C 1.836 178.277 176.600 -0.264 0.000 0.991 454 E CA 0.795 57.029 56.400 -0.277 0.000 0.799 454 E CB -1.248 28.372 29.700 -0.132 0.000 0.748 454 E HN 0.102 nan 8.360 nan 0.000 0.449 455 L N 0.622 121.679 121.223 -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 -0.344 0.000 1.077 455 L CA 2.039 56.691 54.840 -0.314 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 -0.227 122.397 122.820 -0.327 0.000 1.892 456 A HA -0.241 4.079 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 2.428 54.301 52.037 -0.273 0.000 0.631 456 A CB -1.343 17.543 19.000 -0.190 0.000 0.822 456 A HN 0.600 nan 8.150 nan 0.000 0.447 457 A N -0.646 121.902 122.820 -0.452 0.000 1.972 457 A HA 0.207 4.527 4.320 0.000 0.000 0.219 457 A C 2.447 179.611 177.584 -0.701 0.000 1.169 457 A CA 2.005 53.683 52.037 -0.598 0.000 0.635 457 A CB -0.843 17.552 19.000 -1.009 0.000 0.810 457 A HN 1.091 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 2.256 179.624 177.584 -0.360 0.000 1.176 458 A CA 1.425 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 -0.332 118.796 119.300 -0.286 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 0.096 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 4.148 4.350 0.000 0.000 0.194 460 E C 2.096 178.565 176.600 -0.218 0.000 0.997 460 E CA 1.596 57.921 56.400 -0.125 0.000 0.801 460 E CB -0.236 29.358 29.700 -0.177 0.000 0.746 460 E HN 0.492 nan 8.360 nan 0.000 0.450 461 V N 0.258 119.894 119.914 -0.462 0.000 2.343 461 V HA -0.204 3.916 4.120 0.000 0.000 0.247 461 V C 1.401 177.133 176.094 -0.603 0.000 1.051 461 V CA 1.349 63.230 62.300 -0.699 0.000 1.036 461 V CB -0.343 30.691 31.823 -1.315 0.000 0.654 461 V HN 0.442 nan 8.190 nan 0.000 0.451 462 W N -0.367 120.859 121.300 -0.123 0.000 3.005 462 W HA 0.331 4.992 4.660 0.000 0.000 0.374 462 W C 1.899 178.338 176.519 -0.134 0.000 1.076 462 W CA -0.783 56.412 57.345 -0.250 0.000 1.794 462 W CB -0.334 28.739 29.460 -0.644 0.000 1.113 462 W HN 0.279 nan 8.180 nan 0.000 0.584 463 K N 1.520 122.008 120.400 0.146 0.000 2.107 463 K HA -0.227 4.093 4.320 0.000 0.000 0.211 463 K C 1.136 177.608 176.600 -0.213 0.000 1.049 463 K CA 1.907 58.134 56.287 -0.099 0.000 0.927 463 K CB 0.216 32.663 32.500 -0.089 0.000 0.714 463 K HN -0.117 nan 8.250 nan 0.000 0.452 464 E N 0.419 120.553 120.200 -0.111 0.000 2.444 464 E HA 0.046 4.397 4.350 0.000 0.000 0.191 464 E C -0.243 176.310 176.600 -0.079 0.000 1.041 464 E CA 0.040 56.372 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 1.673 122.228 120.570 -0.025 0.000 2.325 465 I HA 0.252 4.422 4.170 0.000 0.000 0.291 465 I C 0.417 176.546 176.117 0.020 0.000 1.019 465 I CA -0.187 61.095 61.300 -0.029 0.000 1.302 465 I CB 0.353 38.381 38.000 0.046 0.000 1.401 465 I HN -0.270 nan 8.210 nan 0.000 0.485 466 K N 5.425 125.700 120.400 -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 1.563 121.633 119.950 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 1.628 40.779 39.000 0.252 0.000 1.276 467 F HN 0.265 nan 8.300 nan 0.000 0.446 468 E N 3.949 124.243 120.200 0.157 0.000 2.255 468 E HA 0.583 4.933 4.350 0.000 0.000 0.256 468 E C -1.371 175.118 176.600 -0.185 0.000 0.887 468 E CA -0.541 55.891 56.400 0.054 0.000 0.782 468 E CB 2.014 31.688 29.700 -0.043 0.000 1.214 468 E HN 0.306 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 -1.942 173.890 175.800 0.052 0.000 1.096 469 F CA -1.936 56.102 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 0.429 nan 4.420 nan 0.000 0.271 470 P C -1.132 176.255 177.300 0.145 0.000 1.218 470 P CA -0.327 62.863 63.100 0.150 0.000 0.780 470 P CB 0.875 32.643 31.700 0.114 0.000 0.901 471 A N 2.687 125.573 122.820 0.109 0.000 2.316 471 A HA 0.411 4.732 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 51.550 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 0.320 119.962 119.600 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 56.212 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 2.051 122.512 120.400 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 -0.053 54.035 54.000 0.146 0.000 0.849 473 D CB 1.041 41.947 40.800 0.177 0.000 1.052 473 D HN 0.157 nan 8.370 nan 0.000 0.515 474 T N -0.189 114.443 114.554 0.129 0.000 2.916 474 T HA 0.540 4.890 4.350 0.000 0.000 0.292 474 T C 0.403 175.160 174.700 0.095 0.000 1.064 474 T CA -0.871 61.291 62.100 0.104 0.000 1.011 474 T CB 0.980 69.893 68.868 0.074 0.000 1.152 474 T HN 0.096 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