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_O 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 0.729 116.448 115.700 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 -1.809 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 3.253 123.195 119.914 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 0.549 62.876 62.300 0.045 0.000 1.155 11 V CB 0.478 32.323 31.823 0.037 0.000 0.975 11 V HN 1.064 nan 8.190 nan 0.000 0.490 12 G N 4.032 112.870 108.800 0.064 0.000 2.750 12 G HA2 0.174 4.134 3.960 0.000 0.000 0.250 12 G HA3 0.174 4.134 3.960 0.000 0.000 0.250 12 G C -0.751 174.245 174.900 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 0.154 120.124 119.950 0.033 0.000 2.436 13 F HA 0.699 5.226 4.527 -0.000 0.000 0.340 13 F C -0.190 175.627 175.800 0.028 0.000 1.113 13 F CA -1.726 56.305 58.000 0.051 0.000 1.022 13 F CB 2.131 41.187 39.000 0.094 0.000 1.128 13 F HN 0.333 nan 8.300 nan 0.000 0.466 14 K N 5.424 125.501 120.400 -0.538 0.000 2.613 14 K HA 0.712 5.032 4.320 0.000 0.000 0.248 14 K C -1.135 175.039 176.600 -0.709 0.000 0.959 14 K CA -0.378 55.558 56.287 -0.586 0.000 0.855 14 K CB 1.208 33.568 32.500 -0.234 0.000 1.143 14 K HN 0.828 nan 8.250 nan 0.000 0.437 15 A N 2.456 124.744 122.820 -0.886 0.000 2.429 15 A HA 0.627 4.947 4.320 0.000 0.000 0.242 15 A C 0.562 178.013 177.584 -0.222 0.000 1.088 15 A CA 0.857 52.613 52.037 -0.468 0.000 0.784 15 A CB -0.459 18.373 19.000 -0.279 0.000 1.038 15 A HN 1.444 nan 8.150 nan 0.000 0.501 16 G N -1.929 106.791 108.800 -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 44.887 45.100 -0.098 0.000 0.915 16 G HN 2.255 nan 8.290 nan 0.000 0.645 17 V N 0.032 119.904 119.914 -0.069 0.000 2.509 17 V HA 0.938 5.058 4.120 0.000 0.000 0.284 17 V C 0.209 176.260 176.094 -0.072 0.000 1.047 17 V CA 0.380 62.633 62.300 -0.078 0.000 0.952 17 V CB 1.199 33.039 31.823 0.028 0.000 0.988 17 V HN 1.334 nan 8.190 nan 0.000 0.469 18 K N 2.927 123.264 120.400 -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 1.079 121.431 120.400 -0.080 0.000 2.472 19 D HA -0.003 4.637 4.640 0.000 0.000 0.237 19 D C 0.578 176.875 176.300 -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 41.001 40.800 -0.003 0.000 1.192 19 D HN 0.438 nan 8.370 nan 0.000 0.450 20 Y N 1.292 121.628 120.300 0.060 0.000 2.293 20 Y HA -0.180 4.370 4.550 -0.000 0.000 0.291 20 Y C 2.240 178.250 175.900 0.185 0.000 1.137 20 Y CA 1.099 59.282 58.100 0.139 0.000 1.202 20 Y CB -0.301 38.179 38.460 0.032 0.000 0.990 20 Y HN 0.463 nan 8.280 nan 0.000 0.537 21 K N 0.289 120.839 120.400 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 1.621 58.037 56.287 0.215 0.000 0.935 21 K CB -0.722 31.851 32.500 0.122 0.000 0.728 21 K HN 0.316 nan 8.250 nan 0.000 0.452 22 L N 1.055 122.356 121.223 0.131 0.000 2.131 22 L HA -0.113 4.227 4.340 0.000 0.000 0.210 22 L C 1.597 178.485 176.870 0.030 0.000 1.092 22 L CA 1.473 56.356 54.840 0.072 0.000 0.759 22 L CB -0.561 41.523 42.059 0.041 0.000 0.903 22 L HN 0.376 nan 8.230 nan 0.000 0.435 23 T N -3.078 111.489 114.554 0.022 0.000 2.978 23 T HA 0.054 4.404 4.350 0.000 0.000 0.248 23 T C 1.045 175.515 174.700 -0.383 0.000 1.018 23 T CA 0.157 62.126 62.100 -0.217 0.000 1.026 23 T CB 0.169 68.815 68.868 -0.370 0.000 1.032 23 T HN 0.142 nan 8.240 nan 0.000 0.485 24 Y N -0.162 120.197 120.300 0.099 0.000 2.467 24 Y HA 0.413 4.963 4.550 0.000 0.000 0.250 24 Y C -0.001 175.974 175.900 0.125 0.000 1.155 24 Y CA -1.110 57.038 58.100 0.080 0.000 1.249 24 Y CB 0.411 38.914 38.460 0.072 0.000 1.146 24 Y HN 0.154 nan 8.280 nan 0.000 0.524 25 Y N 0.918 121.278 120.300 0.100 0.000 2.342 25 Y HA 0.504 5.054 4.550 0.000 0.000 0.338 25 Y C -0.383 175.550 175.900 0.055 0.000 0.965 25 Y CA -1.343 56.798 58.100 0.069 0.000 1.159 25 Y CB 1.180 39.669 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 -0.036 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 0.896 63.887 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 -1.402 118.798 120.200 -0.000 0.000 2.447 28 E HA -0.036 4.314 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 -0.384 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 2.701 122.985 120.300 -0.027 0.000 2.712 29 Y HA -0.080 4.470 4.550 0.000 0.000 0.333 29 Y C 0.196 176.032 175.900 -0.106 0.000 1.225 29 Y CA 0.340 58.404 58.100 -0.059 0.000 1.499 29 Y CB 0.375 38.805 38.460 -0.050 0.000 1.288 29 Y HN -0.181 nan 8.280 nan 0.000 0.575 30 E N 3.749 123.504 120.200 -0.741 0.000 2.156 30 E HA 0.191 4.541 4.350 0.000 0.000 0.279 30 E C -0.429 175.499 176.600 -1.121 0.000 0.965 30 E CA -0.709 55.302 56.400 -0.649 0.000 0.789 30 E CB 0.846 30.303 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 0.395 174.888 174.700 -0.345 0.000 1.045 31 T CA -0.565 61.193 62.100 -0.570 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 1.870 122.982 121.223 -0.184 0.000 2.399 32 L HA 0.341 4.681 4.340 0.000 0.000 0.265 32 L C 1.113 177.948 176.870 -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 -0.364 120.009 120.400 -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 -0.011 0.000 0.986 33 D CA 1.018 55.001 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 -2.803 111.753 114.554 0.004 0.000 3.069 34 T HA 0.066 4.416 4.350 0.000 0.000 0.252 34 T C 0.503 175.224 174.700 0.036 0.000 1.053 34 T CA -0.526 61.590 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 1.517 121.938 120.400 0.036 0.000 2.345 35 D HA 0.395 5.035 4.640 0.000 0.000 0.247 35 D C -0.375 175.941 176.300 0.026 0.000 1.108 35 D CA -0.530 53.514 54.000 0.073 0.000 0.894 35 D CB 0.842 41.695 40.800 0.088 0.000 1.203 35 D HN 0.160 nan 8.370 nan 0.000 0.430 36 I N 2.413 123.025 120.570 0.071 0.000 2.342 36 I HA 0.162 4.332 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 -0.153 61.123 61.300 -0.039 0.000 1.308 36 I CB 0.636 38.515 38.000 -0.201 0.000 1.400 36 I HN 0.081 nan 8.210 nan 0.000 0.488 37 L N 6.226 127.391 121.223 -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 1.874 124.813 122.820 0.198 0.000 2.393 38 A HA 0.860 5.180 4.320 0.000 0.000 0.306 38 A C -0.791 176.908 177.584 0.192 0.000 1.050 38 A CA -0.540 51.582 52.037 0.140 0.000 0.724 38 A CB 1.767 20.833 19.000 0.110 0.000 1.248 38 A HN 0.739 nan 8.150 nan 0.000 0.424 39 A N 1.908 124.722 122.820 -0.011 0.000 2.277 39 A HA 0.713 5.033 4.320 0.000 0.000 0.318 39 A C -1.114 176.193 177.584 -0.461 0.000 1.339 39 A CA -0.262 51.556 52.037 -0.366 0.000 0.875 39 A CB -0.254 18.376 19.000 -0.618 0.000 1.158 39 A HN 0.607 nan 8.150 nan 0.000 0.514 40 F N 1.189 120.989 119.950 -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 57.553 58.000 -0.193 0.000 1.049 40 F CB 1.654 40.562 39.000 -0.154 0.000 1.139 40 F HN 0.581 nan 8.300 nan 0.000 0.479 41 R N 3.613 124.134 120.500 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 0.358 30.661 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 1.805 33.621 31.823 -0.011 0.000 0.983 42 V HN 0.704 nan 8.190 nan 0.000 0.460 43 S N 6.326 122.050 115.700 0.040 0.000 2.532 43 S HA 0.449 4.919 4.470 0.000 0.000 0.256 43 S C -2.601 172.028 174.600 0.049 0.000 1.298 43 S CA -0.977 57.255 58.200 0.054 0.000 1.166 43 S CB 1.181 64.406 63.200 0.041 0.000 1.022 43 S HN 0.587 nan 8.310 nan 0.000 0.480 44 P HA 0.194 nan 4.420 nan 0.000 0.274 44 P C -0.199 177.116 177.300 0.025 0.000 1.237 44 P CA -0.599 62.515 63.100 0.024 0.000 0.793 44 P CB 0.513 32.220 31.700 0.011 0.000 0.977 45 Q N 1.213 121.016 119.800 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 -1.534 54.275 55.803 0.009 0.000 0.896 45 Q CB -0.721 28.018 28.738 0.003 0.000 1.241 45 Q HN 0.317 nan 8.270 nan 0.000 0.485 46 P HA 0.000 nan 4.420 nan 0.000 0.265 46 P C 0.440 177.740 177.300 -0.000 0.000 1.193 46 P CA 1.076 64.181 63.100 0.009 0.000 0.765 46 P CB 0.345 32.050 31.700 0.008 0.000 0.823 47 G N 1.179 109.978 108.800 -0.003 0.000 2.195 47 G HA2 -0.200 3.760 3.960 0.000 0.000 0.246 47 G HA3 -0.200 3.760 3.960 0.000 0.000 0.246 47 G C -0.045 174.840 174.900 -0.025 0.000 0.984 47 G CA -0.165 44.928 45.100 -0.011 0.000 0.633 47 G HN 0.530 nan 8.290 nan 0.000 0.525 48 V N 3.702 123.597 119.914 -0.032 0.000 2.347 48 V HA 0.523 4.643 4.120 0.000 0.000 0.280 48 V C -1.509 174.537 176.094 -0.080 0.000 1.021 48 V CA -1.433 60.833 62.300 -0.057 0.000 0.847 48 V CB 1.740 33.525 31.823 -0.064 0.000 0.990 48 V HN 0.244 nan 8.190 nan 0.000 0.444 49 P HA 0.286 nan 4.420 nan 0.000 0.278 49 P C -2.352 174.785 177.300 -0.271 0.000 1.238 49 P CA -1.753 61.249 63.100 -0.164 0.000 0.794 49 P CB 0.976 32.589 31.700 -0.144 0.000 0.955 50 P HA -0.245 nan 4.420 nan 0.000 0.217 50 P C 1.271 178.276 177.300 -0.491 0.000 1.162 50 P CA 1.808 64.520 63.100 -0.646 0.000 0.901 50 P CB -0.056 30.993 31.700 -1.084 0.000 0.793 51 E N -0.781 119.105 120.200 -0.522 0.000 2.130 51 E HA -0.226 4.124 4.350 0.000 0.000 0.196 51 E C 2.023 178.392 176.600 -0.384 0.000 0.998 51 E CA 1.426 57.429 56.400 -0.661 0.000 0.806 51 E CB -0.640 28.601 29.700 -0.765 0.000 0.738 51 E HN 0.367 nan 8.360 nan 0.000 0.459 52 E N 0.172 120.220 120.200 -0.253 0.000 2.112 52 E HA 0.007 4.357 4.350 0.000 0.000 0.190 52 E C 1.848 178.342 176.600 -0.177 0.000 0.979 52 E CA 1.056 57.376 56.400 -0.133 0.000 0.814 52 E CB -0.239 29.412 29.700 -0.082 0.000 0.762 52 E HN 0.207 nan 8.360 nan 0.000 0.460 53 A N 0.458 123.142 122.820 -0.227 0.000 1.865 53 A HA -0.075 4.245 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 1.911 53.795 52.037 -0.254 0.000 0.623 53 A CB -1.522 17.349 19.000 -0.215 0.000 0.826 53 A HN 0.421 nan 8.150 nan 0.000 0.444 54 G N -0.653 107.994 108.800 -0.255 0.000 2.418 54 G HA2 -0.008 3.952 3.960 0.000 0.000 0.217 54 G HA3 -0.008 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 1.553 46.527 45.100 -0.210 0.000 0.771 54 G HN 0.859 nan 8.290 nan 0.000 0.545 55 A N 1.046 123.791 122.820 -0.124 0.000 1.933 55 A HA 0.285 4.605 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 2.158 54.181 52.037 -0.023 0.000 0.628 55 A CB -0.636 18.442 19.000 0.129 0.000 0.814 55 A HN 0.770 nan 8.150 nan 0.000 0.444 56 A N -0.691 121.854 122.820 -0.457 0.000 1.969 56 A HA 0.077 4.397 4.320 0.000 0.000 0.218 56 A C 2.193 179.425 177.584 -0.587 0.000 1.169 56 A CA 1.580 53.032 52.037 -0.976 0.000 0.635 56 A CB -0.704 17.674 19.000 -1.037 0.000 0.810 56 A HN 0.336 nan 8.150 nan 0.000 0.445 57 V N -0.209 119.475 119.914 -0.382 0.000 2.307 57 V HA -0.214 3.906 4.120 0.000 0.000 0.245 57 V C 3.050 179.015 176.094 -0.215 0.000 1.045 57 V CA 1.887 64.010 62.300 -0.295 0.000 1.024 57 V CB -1.113 30.384 31.823 -0.544 0.000 0.651 57 V HN 0.590 nan 8.190 nan 0.000 0.449 58 A N -0.209 122.487 122.820 -0.205 0.000 1.933 58 A HA -0.071 4.249 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 2.003 53.969 52.037 -0.117 0.000 0.628 58 A CB -0.645 18.329 19.000 -0.043 0.000 0.814 58 A HN 0.553 nan 8.150 nan 0.000 0.444 59 A N -0.089 122.402 122.820 -0.547 0.000 1.841 59 A HA -0.112 4.208 4.320 0.000 0.000 0.214 59 A C 1.960 179.310 177.584 -0.390 0.000 1.195 59 A CA 1.944 53.413 52.037 -0.946 0.000 0.611 59 A CB -0.512 17.777 19.000 -1.185 0.000 0.835 59 A HN 0.501 nan 8.150 nan 0.000 0.443 60 E N 0.697 120.770 120.200 -0.212 0.000 2.418 60 E HA -0.073 4.277 4.350 0.000 0.000 0.197 60 E C 1.591 178.187 176.600 -0.007 0.000 1.026 60 E CA 1.236 57.608 56.400 -0.045 0.000 0.862 60 E CB -0.259 29.448 29.700 0.011 0.000 0.799 60 E HN 0.611 nan 8.360 nan 0.000 0.518 61 S N -1.555 114.173 115.700 0.047 0.000 2.577 61 S HA 0.162 4.632 4.470 0.000 0.000 0.219 61 S C 1.157 175.880 174.600 0.205 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 1.326 117.110 115.700 0.140 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 0.276 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 0.395 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 0.165 109.007 108.800 0.069 0.000 2.491 64 G HA2 0.581 4.541 3.960 0.000 0.000 0.327 64 G HA3 0.581 4.541 3.960 0.000 0.000 0.327 64 G C -0.946 174.023 174.900 0.114 0.000 1.189 64 G CA -0.364 44.803 45.100 0.113 0.000 0.956 64 G HN 0.257 nan 8.290 nan 0.000 0.491 65 T N -1.315 113.332 114.554 0.157 0.000 2.693 65 T HA 0.406 4.756 4.350 0.000 0.000 0.278 65 T C 0.680 175.525 174.700 0.242 0.000 0.994 65 T CA -0.483 61.732 62.100 0.192 0.000 1.033 65 T CB 0.832 69.751 68.868 0.084 0.000 1.342 65 T HN 0.672 nan 8.240 nan 0.000 0.538 66 W N 0.966 122.372 121.300 0.177 0.000 2.699 66 W HA 0.275 4.935 4.660 0.000 0.000 0.249 66 W C 0.244 176.754 176.519 -0.015 0.000 1.280 66 W CA 0.523 57.923 57.345 0.092 0.000 1.345 66 W CB -1.066 28.468 29.460 0.123 0.000 1.128 66 W HN 0.555 nan 8.180 nan 0.000 0.642 67 T N 0.672 114.772 114.554 -0.757 0.000 2.868 67 T HA 0.313 4.663 4.350 0.000 0.000 0.306 67 T C -0.500 173.987 174.700 -0.353 0.000 1.224 67 T CA -0.350 61.346 62.100 -0.673 0.000 1.012 67 T CB 1.679 69.813 68.868 -1.222 0.000 1.221 67 T HN -0.198 nan 8.240 nan 0.000 0.499 68 T N 2.726 117.180 114.554 -0.167 0.000 2.888 68 T HA 0.450 4.800 4.350 0.000 0.000 0.301 68 T C 0.284 175.064 174.700 0.135 0.000 1.001 68 T CA -0.266 61.843 62.100 0.014 0.000 1.147 68 T CB 0.039 68.954 68.868 0.079 0.000 0.931 68 T HN 0.726 nan 8.240 nan 0.000 0.541 69 V N 2.923 122.880 119.914 0.072 0.000 2.581 69 V HA 0.505 4.625 4.120 0.000 0.000 0.303 69 V C 1.125 177.098 176.094 -0.202 0.000 1.041 69 V CA -1.184 61.084 62.300 -0.054 0.000 0.907 69 V CB 1.427 33.127 31.823 -0.206 0.000 0.994 69 V HN 1.035 nan 8.190 nan 0.000 0.442 70 W N 2.228 123.119 121.300 -0.683 0.000 2.519 70 W HA -0.075 4.584 4.660 -0.000 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 26.965 29.460 -1.348 0.000 1.114 70 W HN 0.762 nan 8.180 nan 0.000 0.596 71 T N -1.101 112.836 114.554 -1.028 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 1.973 122.241 120.400 -0.220 0.000 2.221 72 D HA -0.027 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 1.263 55.212 54.000 -0.085 0.000 0.857 72 D CB -0.814 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 -0.127 108.669 108.800 -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 0.798 122.026 121.223 0.007 0.000 2.478 74 L HA 0.133 4.473 4.340 0.000 0.000 0.223 74 L C 1.326 178.204 176.870 0.014 0.000 1.140 74 L CA 0.511 55.360 54.840 0.016 0.000 0.842 74 L CB -0.322 41.727 42.059 -0.017 0.000 0.953 74 L HN 0.197 nan 8.230 nan 0.000 0.452 75 T N -3.153 111.411 114.554 0.017 0.000 2.718 75 T HA 0.244 4.594 4.350 0.000 0.000 0.267 75 T C -0.334 174.419 174.700 0.088 0.000 0.957 75 T CA -0.640 61.500 62.100 0.068 0.000 1.025 75 T CB 1.358 70.280 68.868 0.089 0.000 1.355 75 T HN -0.182 nan 8.240 nan 0.000 0.572 76 N N 0.768 119.555 118.700 0.146 0.000 2.898 76 N HA 0.230 4.970 4.740 0.000 0.000 0.245 76 N C 0.347 175.921 175.510 0.106 0.000 1.185 76 N CA -0.596 52.501 53.050 0.078 0.000 0.879 76 N CB 0.304 38.804 38.487 0.023 0.000 1.157 76 N HN 0.467 nan 8.380 nan 0.000 0.503 77 L N 2.222 123.501 121.223 0.095 0.000 2.127 77 L HA -0.085 4.255 4.340 0.000 0.000 0.211 77 L C 1.273 178.158 176.870 0.024 0.000 1.089 77 L CA 1.610 56.510 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 0.467 nan 8.230 nan 0.000 0.434 78 D N -1.029 119.353 120.400 -0.031 0.000 2.221 78 D HA -0.203 4.437 4.640 0.000 0.000 0.204 78 D C 2.139 178.378 176.300 -0.101 0.000 0.982 78 D CA 1.110 55.067 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 -1.017 119.382 120.500 -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 0.587 56.499 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 0.253 nan 8.270 nan 0.000 0.493 80 Y N 2.042 122.337 120.300 -0.008 0.000 2.483 80 Y HA 0.196 4.746 4.550 0.000 0.000 0.258 80 Y C 0.380 176.296 175.900 0.026 0.000 1.083 80 Y CA -0.566 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 1.260 121.756 120.400 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 0.169 56.568 56.287 0.186 0.000 0.980 81 K CB 0.627 33.181 32.500 0.089 0.000 0.919 81 K HN 0.132 nan 8.250 nan 0.000 0.484 82 G N 2.369 111.282 108.800 0.189 0.000 2.507 82 G HA2 0.361 4.321 3.960 0.000 0.000 0.271 82 G HA3 0.361 4.321 3.960 0.000 0.000 0.271 82 G C -0.785 174.131 174.900 0.027 0.000 1.189 82 G CA -1.056 44.036 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 4.715 4.340 0.000 0.000 0.276 83 R C -1.624 174.734 176.300 0.096 0.000 1.046 83 R CA -0.743 55.357 56.100 0.001 0.000 0.906 83 R CB 0.654 30.854 30.300 -0.167 0.000 1.215 83 R HN 0.475 nan 8.270 nan 0.000 0.449 84 C N 5.120 124.522 119.300 0.169 0.000 2.416 84 C HA 0.293 4.753 4.460 0.000 0.000 0.355 84 C C 0.796 175.961 174.990 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 3.039 123.481 120.300 0.237 0.000 2.467 85 Y HA 0.476 5.026 4.550 0.000 0.000 0.250 85 Y C 0.605 176.705 175.900 0.333 0.000 1.155 85 Y CA -0.262 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 0.036 119.079 119.070 -0.046 0.000 3.121 86 H HA 0.504 5.060 4.556 0.000 0.000 0.337 86 H C -2.068 173.370 175.328 0.183 0.000 1.198 86 H CA -0.835 55.242 56.048 0.049 0.000 1.274 86 H CB 1.776 31.450 29.762 -0.147 0.000 1.954 86 H HN 0.136 nan 8.280 nan 0.000 0.531 87 I N 3.717 124.054 120.570 -0.388 0.000 2.533 87 I HA 0.210 4.380 4.170 0.000 0.000 0.290 87 I C -0.752 175.196 176.117 -0.282 0.000 1.056 87 I CA -0.534 60.651 61.300 -0.192 0.000 1.057 87 I CB 2.328 40.249 38.000 -0.131 0.000 1.240 87 I HN 0.544 nan 8.210 nan 0.000 0.423 88 E N 8.524 128.711 120.200 -0.022 0.000 2.263 88 E HA 0.501 4.851 4.350 0.000 0.000 0.268 88 E C -2.876 173.817 176.600 0.154 0.000 0.884 88 E CA -1.988 54.446 56.400 0.057 0.000 0.766 88 E CB 2.698 32.491 29.700 0.155 0.000 1.196 88 E HN 0.160 nan 8.360 nan 0.000 0.416 89 P HA 0.013 nan 4.420 nan 0.000 0.271 89 P C -0.151 177.127 177.300 -0.036 0.000 1.218 89 P CA -0.399 62.729 63.100 0.046 0.000 0.780 89 P CB 1.156 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 1.063 177.110 176.094 -0.078 0.000 1.046 90 V CA -0.498 61.751 62.300 -0.085 0.000 0.945 90 V CB 0.364 32.129 31.823 -0.096 0.000 0.992 90 V HN 0.718 nan 8.190 nan 0.000 0.471 91 A N 4.472 127.271 122.820 -0.034 0.000 2.524 91 A HA 0.495 4.815 4.320 0.000 0.000 0.250 91 A C 1.542 179.108 177.584 -0.029 0.000 1.078 91 A CA 0.636 52.657 52.037 -0.027 0.000 0.761 91 A CB -0.494 18.499 19.000 -0.011 0.000 1.012 91 A HN 2.107 nan 8.150 nan 0.000 0.500 92 G N 1.379 110.160 108.800 -0.031 0.000 2.179 92 G HA2 -0.178 3.782 3.960 0.000 0.000 0.260 92 G HA3 -0.178 3.782 3.960 0.000 0.000 0.260 92 G C 0.039 174.918 174.900 -0.035 0.000 0.977 92 G CA 0.540 45.624 45.100 -0.025 0.000 0.641 92 G HN 0.797 nan 8.290 nan 0.000 0.533 93 E N 0.657 120.821 120.200 -0.060 0.000 2.244 93 E HA 0.501 4.851 4.350 0.000 0.000 0.266 93 E C -0.329 176.207 176.600 -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 1.434 121.578 120.200 -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 1.046 119.651 118.700 -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 1.309 54.294 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 0.358 119.814 119.800 -0.574 0.000 2.305 96 Q HA 0.534 4.874 4.340 0.000 0.000 0.271 96 Q C -1.497 174.043 176.000 -0.767 0.000 1.046 96 Q CA -0.697 54.860 55.803 -0.410 0.000 0.798 96 Q CB 1.088 29.706 28.738 -0.199 0.000 1.286 96 Q HN 0.248 nan 8.270 nan 0.000 0.435 97 Y N 1.677 121.961 120.300 -0.026 0.000 2.609 97 Y HA 0.552 5.102 4.550 -0.000 0.000 0.342 97 Y C -0.410 175.470 175.900 -0.033 0.000 1.058 97 Y CA -1.182 56.901 58.100 -0.029 0.000 1.055 97 Y CB 1.465 39.892 38.460 -0.054 0.000 1.292 97 Y HN 0.455 nan 8.280 nan 0.000 0.476 98 I N 2.103 122.751 120.570 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 -0.674 60.629 61.300 0.005 0.000 1.167 98 I CB 0.458 38.467 38.000 0.015 0.000 1.320 98 I HN 0.579 nan 8.210 nan 0.000 0.458 99 C N 6.884 126.151 119.300 -0.055 0.000 2.319 99 C HA 0.477 4.937 4.460 0.000 0.000 0.335 99 C C -0.028 174.915 174.990 -0.079 0.000 1.274 99 C CA -0.627 58.382 59.018 -0.015 0.000 1.806 99 C CB 0.107 27.843 27.740 -0.006 0.000 2.329 99 C HN 0.493 nan 8.230 nan 0.000 0.524 100 Y N 1.784 122.072 120.300 -0.019 0.000 2.328 100 Y HA 0.558 5.108 4.550 0.000 0.000 0.337 100 Y C 0.312 176.157 175.900 -0.092 0.000 1.008 100 Y CA -0.301 57.761 58.100 -0.062 0.000 1.129 100 Y CB 0.965 39.203 38.460 -0.371 0.000 1.185 100 Y HN 0.407 nan 8.280 nan 0.000 0.476 101 V N 2.860 122.953 119.914 0.298 0.000 2.604 101 V HA 0.833 4.953 4.120 0.000 0.000 0.305 101 V C -0.382 175.873 176.094 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 0.120 0.000 0.995 101 V HN 0.842 nan 8.190 nan 0.000 0.429 102 A N 3.785 126.707 122.820 0.170 0.000 2.318 102 A HA 0.877 5.197 4.320 0.000 0.000 0.324 102 A C -1.543 175.953 177.584 -0.146 0.000 1.170 102 A CA -0.408 51.696 52.037 0.111 0.000 0.810 102 A CB 0.758 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 2.770 123.188 120.300 0.196 0.000 2.350 103 Y HA 0.450 5.000 4.550 -0.000 0.000 0.338 103 Y C -2.179 173.846 175.900 0.208 0.000 0.961 103 Y CA -2.479 55.753 58.100 0.220 0.000 1.100 103 Y CB 1.972 40.669 38.460 0.395 0.000 1.179 103 Y HN 0.494 nan 8.280 nan 0.000 0.454 104 P HA -0.028 nan 4.420 nan 0.000 0.269 104 P C 0.775 178.204 177.300 0.215 0.000 1.209 104 P CA -0.225 62.981 63.100 0.177 0.000 0.776 104 P CB 1.413 33.164 31.700 0.086 0.000 0.876 105 L N 2.479 123.800 121.223 0.164 0.000 2.187 105 L HA -0.177 4.163 4.340 0.000 0.000 0.213 105 L C 1.316 178.274 176.870 0.147 0.000 1.100 105 L CA 2.017 56.958 54.840 0.167 0.000 0.765 105 L CB -1.135 40.989 42.059 0.107 0.000 0.904 105 L HN 0.200 nan 8.230 nan 0.000 0.437 106 D N -0.847 119.618 120.400 0.109 0.000 2.378 106 D HA -0.073 4.567 4.640 0.000 0.000 0.222 106 D C 2.010 178.318 176.300 0.014 0.000 0.980 106 D CA 0.746 54.812 54.000 0.110 0.000 0.907 106 D CB -0.020 40.911 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 0.111 4.451 4.340 0.000 0.000 0.222 107 L C 0.055 176.464 176.870 -0.767 0.000 1.123 107 L CA 0.210 54.745 54.840 -0.508 0.000 0.856 107 L CB -0.003 41.608 42.059 -0.747 0.000 0.985 107 L HN -0.121 nan 8.230 nan 0.000 0.456 108 F N -0.250 119.661 119.950 -0.065 0.000 2.480 108 F HA 0.334 4.861 4.527 -0.000 0.000 0.329 108 F C 0.621 176.447 175.800 0.044 0.000 1.091 108 F CA -1.137 56.821 58.000 -0.070 0.000 0.972 108 F CB 1.037 39.846 39.000 -0.319 0.000 1.150 108 F HN -0.184 nan 8.300 nan 0.000 0.467 109 E N 1.488 121.828 120.200 0.233 0.000 2.313 109 E HA 0.160 4.510 4.350 0.000 0.000 0.276 109 E C -0.843 175.885 176.600 0.214 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 2.002 122.266 120.200 0.107 0.000 2.414 110 E HA 0.191 4.541 4.350 0.000 0.000 0.263 110 E C 0.795 177.189 176.600 -0.342 0.000 1.000 110 E CA 1.264 57.631 56.400 -0.055 0.000 0.914 110 E CB 0.665 30.326 29.700 -0.064 0.000 0.948 110 E HN 0.794 nan 8.360 nan 0.000 0.444 111 G N 2.548 110.766 108.800 -0.969 0.000 2.166 111 G HA2 -0.330 3.630 3.960 0.000 0.000 0.260 111 G HA3 -0.330 3.630 3.960 0.000 0.000 0.260 111 G C 0.332 174.891 174.900 -0.567 0.000 0.986 111 G CA 0.582 44.921 45.100 -1.270 0.000 0.683 111 G HN 0.522 nan 8.290 nan 0.000 0.527 112 S N -0.485 115.078 115.700 -0.229 0.000 2.577 112 S HA 0.516 4.986 4.470 0.000 0.000 0.294 112 S C 1.483 176.163 174.600 0.133 0.000 1.161 112 S CA 0.110 58.334 58.200 0.039 0.000 1.143 112 S CB 1.157 64.382 63.200 0.041 0.000 0.991 112 S HN 0.546 nan 8.310 nan 0.000 0.475 113 V N 4.633 124.596 119.914 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 2.367 64.471 62.300 -0.327 0.000 1.082 113 V CB -0.899 30.532 31.823 -0.652 0.000 0.680 113 V HN 0.815 nan 8.190 nan 0.000 0.469 114 T N -0.098 114.369 114.554 -0.145 0.000 2.788 114 T HA -0.216 4.135 4.350 0.000 0.000 0.268 114 T C 1.910 176.636 174.700 0.044 0.000 1.044 114 T CA 1.802 63.906 62.100 0.007 0.000 1.139 114 T CB -0.396 68.531 68.868 0.099 0.000 0.867 114 T HN 0.573 nan 8.240 nan 0.000 0.454 115 N N 0.518 119.256 118.700 0.063 0.000 2.250 115 N HA -0.026 4.714 4.740 0.000 0.000 0.181 115 N C 2.098 177.716 175.510 0.181 0.000 1.017 115 N CA 0.808 53.929 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 -0.010 119.680 119.600 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 0.155 0.000 1.069 116 M CA 1.665 57.035 55.300 0.117 0.000 1.110 116 M CB -0.177 32.316 32.600 -0.178 0.000 1.328 116 M HN 0.025 nan 8.290 nan 0.000 0.405 117 F N 0.480 120.422 119.950 -0.013 0.000 2.234 117 F HA -0.120 4.407 4.527 0.000 0.000 0.299 117 F C 2.582 178.395 175.800 0.022 0.000 1.087 117 F CA 1.526 59.515 58.000 -0.019 0.000 1.340 117 F CB -1.739 37.232 39.000 -0.048 0.000 1.031 117 F HN 0.212 nan 8.300 nan 0.000 0.500 118 T N -1.026 113.661 114.554 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 1.609 63.790 62.100 0.134 0.000 1.135 118 T CB -0.241 68.685 68.868 0.096 0.000 0.869 118 T HN 0.150 nan 8.240 nan 0.000 0.466 119 S N 0.778 116.545 115.700 0.111 0.000 2.327 119 S HA 0.176 4.646 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 0.472 58.707 58.200 0.059 0.000 0.960 119 S CB -0.244 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 0.982 121.599 120.570 0.079 0.000 2.454 120 I HA -0.053 4.117 4.170 0.000 0.000 0.254 120 I C 1.214 177.534 176.117 0.338 0.000 1.156 120 I CA 0.975 62.359 61.300 0.140 0.000 1.433 120 I CB 0.004 38.039 38.000 0.059 0.000 1.082 120 I HN 0.127 nan 8.210 nan 0.000 0.432 121 V N 0.017 120.071 119.914 0.233 0.000 3.330 121 V HA 0.233 4.353 4.120 0.000 0.000 0.309 121 V C 1.799 177.941 176.094 0.080 0.000 1.481 121 V CA 0.542 62.957 62.300 0.191 0.000 1.068 121 V CB 0.669 32.436 31.823 -0.093 0.000 0.935 121 V HN 0.397 nan 8.190 nan 0.000 0.453 122 G N 1.138 109.997 108.800 0.099 0.000 2.453 122 G HA2 -0.177 3.783 3.960 0.000 0.000 0.215 122 G HA3 -0.177 3.783 3.960 0.000 0.000 0.215 122 G C 1.148 176.062 174.900 0.023 0.000 1.201 122 G CA 1.220 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 -0.484 118.224 118.700 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 0.843 53.846 53.050 -0.077 0.000 0.881 123 N CB 0.373 38.759 38.487 -0.169 0.000 1.153 123 N HN 0.284 nan 8.380 nan 0.000 0.489 124 V N -0.876 119.001 119.914 -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 63.643 62.300 -0.097 0.000 1.087 124 V CB -1.220 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 4.864 4.527 -0.000 0.000 0.298 125 F C 2.213 178.072 175.800 0.098 0.000 1.154 125 F CA 0.870 58.889 58.000 0.031 0.000 1.457 125 F CB -0.679 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 -1.709 107.182 108.800 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 0.118 175.058 174.900 0.068 0.000 1.072 126 G CA -0.191 44.964 45.100 0.092 0.000 0.787 126 G HN -0.026 nan 8.290 nan 0.000 0.537 127 F N 1.496 121.461 119.950 0.025 0.000 2.607 127 F HA 0.175 4.702 4.527 -0.000 0.000 0.374 127 F C 1.761 177.563 175.800 0.004 0.000 1.104 127 F CA 0.090 58.089 58.000 -0.002 0.000 1.296 127 F CB 1.072 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 2.637 123.192 120.400 0.260 0.000 2.147 128 K HA -0.110 4.210 4.320 0.000 0.000 0.205 128 K C 1.837 178.490 176.600 0.088 0.000 1.049 128 K CA 1.175 57.538 56.287 0.128 0.000 0.936 128 K CB -0.098 32.456 32.500 0.091 0.000 0.722 128 K HN 0.688 nan 8.250 nan 0.000 0.446 129 A N 0.786 123.648 122.820 0.070 0.000 2.239 129 A HA 0.073 4.393 4.320 0.000 0.000 0.209 129 A C 0.613 178.183 177.584 -0.023 0.000 1.171 129 A CA 0.508 52.535 52.037 -0.017 0.000 0.768 129 A CB -0.153 18.781 19.000 -0.110 0.000 0.790 129 A HN 0.093 nan 8.150 nan 0.000 0.478 130 L N -2.022 119.218 121.223 0.029 0.000 2.333 130 L HA 0.472 4.812 4.340 0.000 0.000 0.269 130 L C 1.264 178.166 176.870 0.052 0.000 1.010 130 L CA -0.751 54.101 54.840 0.020 0.000 0.818 130 L CB 1.773 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 0.836 121.365 120.500 0.049 0.000 2.128 131 R HA 0.414 4.754 4.340 0.000 0.000 0.211 131 R C -0.035 176.325 176.300 0.101 0.000 1.067 131 R CA 0.576 56.711 56.100 0.058 0.000 1.010 131 R CB 0.676 31.003 30.300 0.044 0.000 0.922 131 R HN 0.737 nan 8.270 nan 0.000 0.457 132 A N 0.375 123.272 122.820 0.129 0.000 2.612 132 A HA 0.611 4.931 4.320 0.000 0.000 0.293 132 A C -2.086 175.565 177.584 0.112 0.000 1.075 132 A CA -0.591 51.607 52.037 0.268 0.000 0.680 132 A CB 1.726 20.859 19.000 0.221 0.000 1.279 132 A HN 0.039 nan 8.150 nan 0.000 0.411 133 L N 0.378 121.597 121.223 -0.005 0.000 2.513 133 L HA 0.805 5.145 4.340 0.000 0.000 0.261 133 L C -0.731 175.973 176.870 -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 -0.719 0.000 1.334 133 L HN 0.865 nan 8.230 nan 0.000 0.407 134 R N 3.888 124.347 120.500 -0.069 0.000 2.574 134 R HA 0.606 4.946 4.340 0.000 0.000 0.288 134 R C -1.937 174.437 176.300 0.123 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 4.236 125.566 121.223 0.178 0.000 2.265 135 L HA 0.281 4.621 4.340 0.000 0.000 0.288 135 L C 0.625 177.431 176.870 -0.107 0.000 1.058 135 L CA 0.517 55.304 54.840 -0.090 0.000 0.809 135 L CB 1.244 43.264 42.059 -0.064 0.000 1.179 135 L HN 0.724 nan 8.230 nan 0.000 0.429 136 E N 2.247 122.289 120.200 -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 0.402 56.623 56.400 -0.299 0.000 0.858 136 E CB 0.537 29.824 29.700 -0.689 0.000 0.816 136 E HN 0.687 nan 8.360 nan 0.000 0.475 137 D N -1.058 119.206 120.400 -0.228 0.000 2.653 137 D HA 0.402 5.042 4.640 0.000 0.000 0.258 137 D C -1.579 174.804 176.300 0.139 0.000 1.252 137 D CA -0.461 53.555 54.000 0.025 0.000 0.777 137 D CB 1.356 42.234 40.800 0.130 0.000 1.339 137 D HN -0.150 nan 8.370 nan 0.000 0.422 138 L N 1.182 122.487 121.223 0.137 0.000 2.431 138 L HA 0.526 4.866 4.340 0.000 0.000 0.266 138 L C -0.356 176.430 176.870 -0.140 0.000 0.978 138 L CA -0.896 53.924 54.840 -0.033 0.000 0.822 138 L CB 2.285 44.313 42.059 -0.052 0.000 1.310 138 L HN 0.188 nan 8.230 nan 0.000 0.409 139 R N 3.910 124.135 120.500 -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 -0.490 55.361 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 7.724 128.132 120.570 -0.270 0.000 2.312 140 I HA 0.227 4.397 4.170 0.000 0.000 0.291 140 I C -1.680 174.322 176.117 -0.191 0.000 1.031 140 I CA -2.006 59.164 61.300 -0.217 0.000 1.293 140 I CB 1.559 39.415 38.000 -0.241 0.000 1.403 140 I HN 0.290 nan 8.210 nan 0.000 0.484 141 P HA -0.040 nan 4.420 nan 0.000 0.268 141 P C 1.087 178.382 177.300 -0.009 0.000 1.205 141 P CA -0.125 62.945 63.100 -0.049 0.000 0.771 141 P CB 1.215 32.909 31.700 -0.009 0.000 0.858 142 V N 0.860 120.763 119.914 -0.018 0.000 2.568 142 V HA -0.225 3.895 4.120 0.000 0.000 0.253 142 V C 2.217 178.346 176.094 0.059 0.000 1.072 142 V CA 2.018 64.323 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 -0.104 4.216 4.320 0.000 0.000 0.219 143 A C 2.115 179.804 177.584 0.176 0.000 1.163 143 A CA 1.769 53.867 52.037 0.101 0.000 0.646 143 A CB -0.715 18.338 19.000 0.088 0.000 0.806 143 A HN 0.723 nan 8.150 nan 0.000 0.448 144 Y N -0.259 120.067 120.300 0.044 0.000 2.397 144 Y HA 0.039 4.589 4.550 -0.000 0.000 0.292 144 Y C 2.230 178.250 175.900 0.201 0.000 1.115 144 Y CA 0.837 58.992 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 -0.280 3.840 4.120 0.000 0.000 0.251 145 V C 2.173 178.371 176.094 0.174 0.000 1.064 145 V CA 1.880 64.256 62.300 0.126 0.000 1.066 145 V CB -0.463 31.395 31.823 0.058 0.000 0.667 145 V HN 0.224 nan 8.190 nan 0.000 0.461 146 K N 0.506 120.969 120.400 0.105 0.000 2.439 146 K HA -0.051 4.269 4.320 0.000 0.000 0.197 146 K C 1.992 178.598 176.600 0.010 0.000 1.041 146 K CA 1.418 57.745 56.287 0.066 0.000 0.970 146 K CB -0.626 31.902 32.500 0.048 0.000 0.773 146 K HN 0.728 nan 8.250 nan 0.000 0.479 147 T N -1.992 112.525 114.554 -0.062 0.000 3.169 147 T HA 0.148 4.498 4.350 0.000 0.000 0.250 147 T C 0.380 174.824 174.700 -0.427 0.000 1.111 147 T CA -0.227 61.727 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 0.816 120.687 119.950 -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 0.937 176.974 176.000 0.062 0.000 0.954 149 Q CA 1.122 56.957 55.803 0.054 0.000 0.851 149 Q CB 0.068 28.796 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 -2.582 172.304 174.900 -0.025 0.000 1.341 150 G CA -0.459 44.648 45.100 0.013 0.000 0.880 150 G HN 0.312 nan 8.290 nan 0.000 0.566 151 P HA 0.208 nan 4.420 nan 0.000 0.265 151 P C -1.771 175.475 177.300 -0.090 0.000 1.187 151 P CA -0.378 62.677 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 64.729 63.100 -0.269 0.000 0.817 152 P CB 0.075 31.695 31.700 -0.132 0.000 0.785 153 H N -3.756 115.292 119.070 -0.035 0.000 1.955 153 H HA 0.339 4.895 4.556 -0.000 0.000 0.196 153 H C 1.092 176.409 175.328 -0.019 0.000 0.891 153 H CA 0.924 56.958 56.048 -0.024 0.000 1.001 153 H CB 0.269 30.018 29.762 -0.021 0.000 1.195 153 H HN 0.050 nan 8.280 nan 0.000 0.384 154 G N 1.141 110.002 108.800 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 0.787 175.724 174.900 0.062 0.000 1.315 154 G CA -0.095 45.031 45.100 0.042 0.000 0.832 154 G HN 0.193 nan 8.290 nan 0.000 0.573 155 I N 0.161 120.754 120.570 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 1.140 120.980 119.800 0.067 0.000 2.030 156 Q HA -0.198 4.142 4.340 0.000 0.000 0.204 156 Q C 2.384 178.441 176.000 0.095 0.000 0.986 156 Q CA 2.448 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 1.388 121.355 119.914 0.089 0.000 2.407 157 V HA -0.257 3.863 4.120 0.000 0.000 0.248 157 V C 2.347 178.481 176.094 0.067 0.000 1.055 157 V CA 2.249 64.606 62.300 0.095 0.000 1.049 157 V CB -0.783 31.122 31.823 0.137 0.000 0.662 157 V HN 0.509 nan 8.190 nan 0.000 0.455 158 E N 0.264 120.502 120.200 0.062 0.000 2.077 158 E HA -0.241 4.109 4.350 0.000 0.000 0.193 158 E C 2.452 179.055 176.600 0.005 0.000 0.989 158 E CA 1.315 57.733 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 0.514 nan 8.360 nan 0.000 0.452 159 R N 0.283 120.781 120.500 -0.004 0.000 2.092 159 R HA -0.109 4.231 4.340 0.000 0.000 0.231 159 R C 1.936 178.112 176.300 -0.205 0.000 1.119 159 R CA 1.429 57.445 56.100 -0.139 0.000 0.970 159 R CB -0.094 30.157 30.300 -0.080 0.000 0.864 159 R HN 0.248 nan 8.270 nan 0.000 0.440 160 D N 0.473 120.883 120.400 0.017 0.000 2.144 160 D HA -0.119 4.521 4.640 0.000 0.000 0.199 160 D C 1.641 177.962 176.300 0.034 0.000 0.984 160 D CA 1.237 55.298 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 0.187 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 0.062 4.382 4.320 0.000 0.000 0.205 161 K C 2.108 178.694 176.600 -0.023 0.000 1.051 161 K CA 0.470 56.751 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 0.156 nan 8.250 nan 0.000 0.440 162 L N 0.298 121.491 121.223 -0.050 0.000 2.492 162 L HA 0.024 4.364 4.340 0.000 0.000 0.223 162 L C 0.473 177.274 176.870 -0.116 0.000 1.132 162 L CA 0.118 54.924 54.840 -0.056 0.000 0.850 162 L CB -0.442 41.598 42.059 -0.033 0.000 0.966 162 L HN 0.397 nan 8.230 nan 0.000 0.454 163 N N 1.184 119.772 118.700 -0.187 0.000 2.783 163 N HA -0.165 4.575 4.740 0.000 0.000 0.247 163 N C -0.513 174.756 175.510 -0.402 0.000 1.089 163 N CA 0.356 53.272 53.050 -0.224 0.000 0.690 163 N CB -0.381 38.087 38.487 -0.033 0.000 0.991 163 N HN 0.354 nan 8.380 nan 0.000 0.552 164 K N 1.454 121.453 120.400 -0.667 0.000 2.450 164 K HA 0.418 4.738 4.320 0.000 0.000 0.257 164 K C -1.409 174.807 176.600 -0.641 0.000 0.953 164 K CA -0.321 55.679 56.287 -0.479 0.000 0.844 164 K CB 1.057 33.399 32.500 -0.263 0.000 1.103 164 K HN 0.099 nan 8.250 nan 0.000 0.429 165 Y N -0.571 119.732 120.300 0.005 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 -0.837 57.270 58.100 0.011 0.000 1.028 165 Y CB 2.490 40.957 38.460 0.012 0.000 1.297 165 Y HN 0.747 nan 8.280 nan 0.000 0.463 166 G N 1.488 110.401 108.800 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 -0.233 174.711 174.900 0.073 0.000 0.981 166 G CA 0.322 45.488 45.100 0.110 0.000 0.665 166 G HN 0.954 nan 8.290 nan 0.000 0.528 167 R N -2.225 118.311 120.500 0.061 0.000 2.753 167 R HA 0.570 4.910 4.340 0.000 0.000 0.272 167 R C -3.502 172.819 176.300 0.034 0.000 1.034 167 R CA -1.620 54.508 56.100 0.046 0.000 0.869 167 R CB 0.091 30.413 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 -0.660 176.642 177.300 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 1.152 122.371 121.223 -0.007 0.000 2.343 169 L HA 0.410 4.750 4.340 0.000 0.000 0.275 169 L C 0.078 176.957 176.870 0.015 0.000 1.056 169 L CA -0.632 54.193 54.840 -0.025 0.000 0.804 169 L CB 0.411 42.486 42.059 0.028 0.000 1.203 169 L HN 0.164 nan 8.230 nan 0.000 0.440 170 L N 1.737 122.952 121.223 -0.013 0.000 2.307 170 L HA 0.736 5.076 4.340 0.000 0.000 0.284 170 L C 0.330 177.252 176.870 0.087 0.000 1.023 170 L CA -0.261 54.621 54.840 0.071 0.000 0.810 170 L CB 1.749 43.843 42.059 0.058 0.000 1.231 170 L HN 0.712 nan 8.230 nan 0.000 0.423 171 G N 0.879 109.763 108.800 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 -1.976 172.961 174.900 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 -0.051 119.235 119.300 -0.024 0.000 2.931 172 C HA 0.736 5.196 4.460 0.000 0.000 0.370 172 C C -0.258 174.695 174.990 -0.062 0.000 1.071 172 C CA -0.416 58.600 59.018 -0.003 0.000 1.266 172 C CB 0.627 28.384 27.740 0.028 0.000 1.691 172 C HN 0.812 nan 8.230 nan 0.000 0.511 173 T N 7.106 121.645 114.554 -0.025 0.000 2.771 173 T HA 0.411 4.761 4.350 0.000 0.000 0.291 173 T C 0.437 175.129 174.700 -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 69.222 68.868 0.044 0.000 0.917 173 T HN 0.580 nan 8.240 nan 0.000 0.484 174 I N 3.935 124.477 120.570 -0.047 0.000 2.692 174 I HA 0.232 4.402 4.170 0.000 0.000 0.284 174 I C 0.702 176.784 176.117 -0.057 0.000 1.159 174 I CA 0.072 61.279 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 6.030 126.401 120.400 -0.048 0.000 2.443 175 K HA 0.559 4.879 4.320 0.000 0.000 0.251 175 K C -2.442 174.162 176.600 0.007 0.000 0.972 175 K CA -1.549 54.745 56.287 0.012 0.000 0.833 175 K CB 1.740 34.258 32.500 0.030 0.000 1.317 175 K HN 0.310 nan 8.250 nan 0.000 0.441 176 P HA 0.155 nan 4.420 nan 0.000 0.272 176 P C 0.293 177.624 177.300 0.053 0.000 1.230 176 P CA -0.185 62.929 63.100 0.024 0.000 0.788 176 P CB 0.929 32.625 31.700 -0.007 0.000 0.949 177 K N 0.215 120.644 120.400 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 57.707 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 -2.078 119.138 121.223 -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 2.204 44.171 42.059 -0.154 0.000 1.334 178 L HN 0.501 nan 8.230 nan 0.000 0.427 179 G N 1.027 109.056 108.800 -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 -0.589 44.020 45.100 -0.818 0.000 0.649 179 G HN 0.317 nan 8.290 nan 0.000 0.489 180 L N 2.334 123.553 121.223 -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 1.150 116.974 115.700 0.207 0.000 2.669 181 S HA 0.383 4.853 4.470 0.000 0.000 0.270 181 S C 0.914 175.607 174.600 0.154 0.000 1.225 181 S CA -0.169 58.136 58.200 0.175 0.000 0.991 181 S CB 1.591 64.843 63.200 0.086 0.000 0.987 181 S HN 0.683 nan 8.310 nan 0.000 0.552 182 A N 0.996 123.878 122.820 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 1.577 53.687 52.037 0.121 0.000 0.623 182 A CB -0.882 18.282 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 -0.456 0.000 2.097 183 K HA -0.119 4.201 4.320 0.000 0.000 0.205 183 K C 1.700 178.141 176.600 -0.266 0.000 1.050 183 K CA 1.532 57.348 56.287 -0.785 0.000 0.938 183 K CB -0.268 31.792 32.500 -0.733 0.000 0.718 183 K HN 0.655 nan 8.250 nan 0.000 0.442 184 N N -0.758 117.890 118.700 -0.087 0.000 2.244 184 N HA -0.157 4.583 4.740 0.000 0.000 0.183 184 N C 1.595 177.146 175.510 0.068 0.000 1.016 184 N CA 0.664 53.716 53.050 0.003 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 1.280 121.579 120.300 -0.001 0.000 2.145 185 Y HA -0.113 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 1.692 59.817 58.100 0.041 0.000 1.148 185 Y CB -0.661 37.852 38.460 0.087 0.000 0.981 185 Y HN 0.011 nan 8.280 nan 0.000 0.507 186 G N -0.540 108.360 108.800 0.167 0.000 2.432 186 G HA2 -0.297 3.663 3.960 0.000 0.000 0.219 186 G HA3 -0.297 3.663 3.960 0.000 0.000 0.219 186 G C 1.745 176.698 174.900 0.088 0.000 1.135 186 G CA 0.870 46.038 45.100 0.113 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 0.111 4.451 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 29.923 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 -0.252 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 -1.255 118.649 119.914 -0.017 0.000 2.323 189 V HA -0.233 3.887 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 1.979 64.292 62.300 0.022 0.000 1.025 189 V CB -0.953 30.874 31.823 0.006 0.000 0.656 189 V HN 0.749 nan 8.190 nan 0.000 0.451 190 Y N 1.562 121.861 120.300 -0.002 0.000 2.145 190 Y HA -0.207 4.343 4.550 -0.000 0.000 0.286 190 Y C 2.519 178.424 175.900 0.007 0.000 1.145 190 Y CA 1.859 59.965 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 -0.416 119.564 120.200 -0.367 0.000 2.077 191 E HA -0.201 4.149 4.350 0.000 0.000 0.193 191 E C 2.467 178.914 176.600 -0.256 0.000 0.989 191 E CA 1.470 57.625 56.400 -0.409 0.000 0.800 191 E CB -0.889 28.701 29.700 -0.184 0.000 0.746 191 E HN 0.560 nan 8.360 nan 0.000 0.452 192 C N 0.829 120.042 119.300 -0.145 0.000 2.446 192 C HA -0.048 4.412 4.460 0.000 0.000 0.277 192 C C 2.875 177.809 174.990 -0.095 0.000 1.275 192 C CA 0.262 59.223 59.018 -0.095 0.000 1.727 192 C CB -1.139 26.573 27.740 -0.047 0.000 2.010 192 C HN 0.350 nan 8.230 nan 0.000 0.486 193 L N 1.315 122.488 121.223 -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 1.758 56.566 54.840 -0.053 0.000 0.747 193 L CB -0.740 41.324 42.059 0.009 0.000 0.896 193 L HN 0.480 nan 8.230 nan 0.000 0.432 194 R N 0.506 120.907 120.500 -0.164 0.000 2.285 194 R HA -0.048 4.292 4.340 0.000 0.000 0.213 194 R C 1.802 178.040 176.300 -0.104 0.000 1.068 194 R CA 1.154 57.172 56.100 -0.137 0.000 1.004 194 R CB -0.578 29.566 30.300 -0.261 0.000 0.873 194 R HN 0.246 nan 8.270 nan 0.000 0.467 195 G N -0.446 108.286 108.800 -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 0.233 45.281 45.100 -0.087 0.000 0.776 195 G HN 0.567 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 0.284 175.147 174.900 -0.061 0.000 1.006 196 G CA -0.271 44.799 45.100 -0.051 0.000 0.684 196 G HN 0.337 nan 8.290 nan 0.000 0.489 197 L N 1.249 122.435 121.223 -0.062 0.000 2.395 197 L HA 0.375 4.715 4.340 0.000 0.000 0.269 197 L C 1.078 177.880 176.870 -0.113 0.000 1.133 197 L CA -0.672 54.131 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 1.311 121.583 120.400 -0.213 0.000 2.183 198 D HA 0.041 4.681 4.640 0.000 0.000 0.205 198 D C -0.142 175.890 176.300 -0.446 0.000 0.962 198 D CA 1.498 55.232 54.000 -0.445 0.000 0.849 198 D CB 0.318 40.642 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 0.481 176.150 175.800 -0.218 0.000 1.069 199 F CA -1.118 56.818 58.000 -0.107 0.000 0.931 199 F CB 1.721 40.650 39.000 -0.119 0.000 1.260 199 F HN -0.359 nan 8.300 nan 0.000 0.465 200 T N -1.087 113.411 114.554 -0.093 0.000 2.916 200 T HA 0.868 5.218 4.350 0.000 0.000 0.292 200 T C -1.140 173.154 174.700 -0.676 0.000 1.064 200 T CA -1.045 60.945 62.100 -0.184 0.000 1.011 200 T CB 2.699 71.624 68.868 0.095 0.000 1.152 200 T HN 0.794 nan 8.240 nan 0.000 0.510 201 K N -0.103 119.944 120.400 -0.589 0.000 2.556 201 K HA 0.594 4.914 4.320 0.000 0.000 0.274 201 K C -1.849 174.657 176.600 -0.157 0.000 0.966 201 K CA -0.980 54.864 56.287 -0.739 0.000 0.865 201 K CB 1.376 33.397 32.500 -0.797 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 0.851 41.798 40.800 0.245 0.000 1.195 202 D HN 0.428 nan 8.370 nan 0.000 0.429 203 D N 0.366 120.905 120.400 0.232 0.000 2.358 203 D HA -0.048 4.592 4.640 0.000 0.000 0.244 203 D C 1.386 177.694 176.300 0.012 0.000 1.163 203 D CA -0.262 53.810 54.000 0.121 0.000 0.945 203 D CB 0.813 41.682 40.800 0.115 0.000 1.152 203 D HN 0.378 nan 8.370 nan 0.000 0.451 204 E N 1.470 121.534 120.200 -0.227 0.000 2.209 204 E HA -0.242 4.108 4.350 0.000 0.000 0.196 204 E C 0.550 177.058 176.600 -0.153 0.000 0.993 204 E CA 1.093 57.260 56.400 -0.388 0.000 0.819 204 E CB -0.373 28.838 29.700 -0.814 0.000 0.745 204 E HN 0.475 nan 8.360 nan 0.000 0.477 205 N N 0.877 119.537 118.700 -0.066 0.000 2.280 205 N HA 0.023 4.763 4.740 0.000 0.000 0.192 205 N C -0.001 175.548 175.510 0.065 0.000 1.109 205 N CA -0.130 52.917 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 1.849 121.818 119.914 0.092 0.000 2.372 206 V HA 0.194 4.314 4.120 0.000 0.000 0.261 206 V C 0.265 176.415 176.094 0.093 0.000 1.055 206 V CA -0.203 62.172 62.300 0.126 0.000 0.930 206 V CB -0.326 31.584 31.823 0.144 0.000 1.031 206 V HN 0.299 nan 8.190 nan 0.000 0.479 207 N N 2.584 121.320 118.700 0.061 0.000 2.871 207 N HA 0.253 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 -1.814 172.708 174.600 -0.129 0.000 1.159 208 S CA -0.417 57.787 58.200 0.006 0.000 1.001 208 S CB 1.144 64.448 63.200 0.173 0.000 1.032 208 S HN 0.256 nan 8.310 nan 0.000 0.487 209 Q N 3.301 122.903 119.800 -0.330 0.000 2.501 209 Q HA 0.465 4.806 4.340 0.000 0.000 0.288 209 Q C -2.122 173.604 176.000 -0.456 0.000 1.051 209 Q CA -1.807 53.738 55.803 -0.429 0.000 0.788 209 Q CB 1.609 29.936 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 0.596 177.840 177.300 -0.093 0.000 1.151 210 P CA 1.529 64.562 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 -2.539 117.421 119.950 0.018 0.000 2.407 211 F HA 0.233 4.760 4.527 -0.000 0.000 0.299 211 F C 1.031 176.843 175.800 0.021 0.000 1.097 211 F CA 0.180 58.192 58.000 0.021 0.000 1.422 211 F CB -0.616 38.401 39.000 0.029 0.000 1.067 211 F HN -0.170 nan 8.300 nan 0.000 0.539 212 M N 1.226 120.594 119.600 -0.386 0.000 2.310 212 M HA 0.354 4.834 4.480 0.000 0.000 0.242 212 M C -1.478 174.672 176.300 -0.250 0.000 1.000 212 M CA -0.541 54.653 55.300 -0.177 0.000 0.970 212 M CB 1.176 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 3.857 124.266 120.500 -0.153 0.000 2.459 213 R HA 0.252 4.592 4.340 0.000 0.000 0.281 213 R C 1.092 177.309 176.300 -0.137 0.000 1.050 213 R CA -0.184 55.820 56.100 -0.161 0.000 1.055 213 R CB 0.680 30.857 30.300 -0.206 0.000 1.045 213 R HN 0.975 nan 8.270 nan 0.000 0.495 214 W N 4.437 125.638 121.300 -0.164 0.000 2.318 214 W HA -0.226 4.434 4.660 -0.000 0.000 0.313 214 W C 1.165 177.523 176.519 -0.268 0.000 1.221 214 W CA 0.952 58.178 57.345 -0.199 0.000 1.266 214 W CB -0.546 28.724 29.460 -0.316 0.000 1.150 214 W HN 0.587 nan 8.180 nan 0.000 0.496 215 R N 0.970 120.643 120.500 -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 2.072 57.452 56.100 -1.200 0.000 0.975 215 R CB -0.384 28.936 30.300 -1.633 0.000 0.866 215 R HN 0.035 nan 8.270 nan 0.000 0.446 216 D N -0.312 119.925 120.400 -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 0.193 0.000 2.062 217 R HA -0.134 4.206 4.340 0.000 0.000 0.231 217 R C 2.224 178.770 176.300 0.410 0.000 1.136 217 R CA 1.004 57.281 56.100 0.296 0.000 0.948 217 R CB -0.323 30.108 30.300 0.218 0.000 0.845 217 R HN -0.005 nan 8.270 nan 0.000 0.430 218 F N 1.117 121.184 119.950 0.195 0.000 2.120 218 F HA -0.221 4.306 4.527 0.000 0.000 0.300 218 F C 2.240 178.121 175.800 0.135 0.000 1.095 218 F CA 1.183 59.318 58.000 0.225 0.000 1.249 218 F CB -0.889 38.368 39.000 0.429 0.000 0.995 218 F HN 0.102 nan 8.300 nan 0.000 0.480 219 L N -1.475 119.950 121.223 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 1.487 56.395 54.840 0.114 0.000 0.745 219 L CB -0.545 41.500 42.059 -0.024 0.000 0.894 219 L HN -0.046 nan 8.230 nan 0.000 0.432 220 F N -1.053 118.964 119.950 0.112 0.000 2.186 220 F HA -0.180 4.347 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 -1.069 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 -0.423 118.982 119.300 0.175 0.000 2.435 221 C HA -0.028 4.432 4.460 0.000 0.000 0.279 221 C C 3.071 178.023 174.990 -0.063 0.000 1.321 221 C CA 0.846 59.842 59.018 -0.036 0.000 1.752 221 C CB -1.556 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 0.337 123.140 122.820 -0.030 0.000 1.898 222 A HA -0.207 4.113 4.320 0.000 0.000 0.216 222 A C 2.162 179.735 177.584 -0.018 0.000 1.181 222 A CA 1.754 53.722 52.037 -0.116 0.000 0.620 222 A CB -0.625 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 -0.026 120.236 120.200 0.104 0.000 2.051 223 E HA -0.146 4.204 4.350 0.000 0.000 0.192 223 E C 2.162 178.826 176.600 0.105 0.000 0.991 223 E CA 1.084 57.574 56.400 0.150 0.000 0.799 223 E CB -0.251 29.533 29.700 0.141 0.000 0.748 223 E HN 0.518 nan 8.360 nan 0.000 0.449 224 A N 1.337 124.209 122.820 0.087 0.000 1.877 224 A HA -0.180 4.140 4.320 0.000 0.000 0.216 224 A C 2.230 179.880 177.584 0.110 0.000 1.186 224 A CA 1.703 53.800 52.037 0.100 0.000 0.620 224 A CB -0.817 18.263 19.000 0.135 0.000 0.822 224 A HN 0.418 nan 8.150 nan 0.000 0.443 225 L N -2.794 118.430 121.223 0.002 0.000 2.083 225 L HA -0.094 4.246 4.340 0.000 0.000 0.209 225 L C 2.184 179.046 176.870 -0.013 0.000 1.083 225 L CA 1.914 56.733 54.840 -0.035 0.000 0.752 225 L CB -1.254 40.723 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 -0.093 4.457 4.550 0.000 0.000 0.292 226 Y C 2.736 178.665 175.900 0.049 0.000 1.136 226 Y CA 1.395 59.524 58.100 0.049 0.000 1.227 226 Y CB -0.586 37.890 38.460 0.027 0.000 0.991 226 Y HN 0.353 nan 8.280 nan 0.000 0.545 227 K N 0.019 120.527 120.400 0.181 0.000 2.031 227 K HA -0.080 4.240 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 1.004 57.347 56.287 0.095 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 1.595 53.803 52.037 0.286 0.000 0.628 228 A CB -0.568 18.560 19.000 0.214 0.000 0.814 228 A HN 0.545 nan 8.150 nan 0.000 0.444 229 Q N -0.652 119.234 119.800 0.144 0.000 2.119 229 Q HA -0.088 4.252 4.340 0.000 0.000 0.201 229 Q C 2.125 178.188 176.000 0.105 0.000 0.972 229 Q CA 1.395 57.268 55.803 0.116 0.000 0.847 229 Q CB -0.303 28.523 28.738 0.146 0.000 0.903 229 Q HN 0.617 nan 8.270 nan 0.000 0.433 230 A N 0.518 123.409 122.820 0.117 0.000 1.968 230 A HA -0.193 4.127 4.320 0.000 0.000 0.217 230 A C 1.829 179.459 177.584 0.077 0.000 1.169 230 A CA 1.438 53.526 52.037 0.085 0.000 0.638 230 A CB -0.473 18.572 19.000 0.075 0.000 0.812 230 A HN 0.583 nan 8.150 nan 0.000 0.446 231 E N -0.281 119.979 120.200 0.101 0.000 2.072 231 E HA -0.146 4.204 4.350 0.000 0.000 0.190 231 E C 1.996 178.637 176.600 0.067 0.000 0.982 231 E CA 1.703 58.160 56.400 0.095 0.000 0.803 231 E CB -0.026 29.762 29.700 0.148 0.000 0.755 231 E HN 0.713 nan 8.360 nan 0.000 0.453 232 T N -3.979 110.612 114.554 0.061 0.000 3.044 232 T HA 0.252 4.602 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 0.636 62.758 62.100 0.037 0.000 1.125 232 T CB 0.552 69.434 68.868 0.024 0.000 0.908 232 T HN 0.318 nan 8.240 nan 0.000 0.480 233 G N 1.176 109.997 108.800 0.036 0.000 2.157 233 G HA2 -0.191 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 -0.395 119.814 120.200 0.015 0.000 2.212 234 E HA 0.575 4.925 4.350 0.000 0.000 0.268 234 E C 0.275 176.874 176.600 -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 3.267 123.831 120.570 -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 0.501 61.804 61.300 0.005 0.000 1.425 235 I CB 0.093 38.095 38.000 0.004 0.000 1.383 235 I HN 0.175 nan 8.210 nan 0.000 0.562 236 K N 4.583 124.995 120.400 0.021 0.000 2.295 236 K HA 0.793 5.113 4.320 0.000 0.000 0.239 236 K C -0.223 176.438 176.600 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 0.372 4.332 3.960 0.000 0.000 0.293 237 G HA3 0.372 4.332 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 45.008 45.100 0.313 0.000 0.890 237 G HN 0.559 nan 8.290 nan 0.000 0.485 238 H N 0.992 120.119 119.070 0.096 0.000 2.924 238 H HA 0.337 4.893 4.556 -0.000 0.000 0.333 238 H C -1.086 174.264 175.328 0.037 0.000 0.979 238 H CA -0.558 55.491 56.048 0.002 0.000 1.326 238 H CB 1.219 30.968 29.762 -0.021 0.000 1.600 238 H HN 0.355 nan 8.280 nan 0.000 0.520 239 Y N 5.359 125.348 120.300 -0.518 0.000 2.537 239 Y HA 0.109 4.659 4.550 -0.000 0.000 0.339 239 Y C 0.583 176.327 175.900 -0.259 0.000 1.066 239 Y CA -0.597 57.284 58.100 -0.366 0.000 1.357 239 Y CB -0.262 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 4.178 125.373 121.223 -0.047 0.000 2.265 240 L HA 0.274 4.614 4.340 0.000 0.000 0.288 240 L C 0.568 177.409 176.870 -0.048 0.000 1.058 240 L CA -0.221 54.477 54.840 -0.237 0.000 0.809 240 L CB 0.628 42.169 42.059 -0.863 0.000 1.179 240 L HN 0.631 nan 8.230 nan 0.000 0.429 241 N N 1.853 120.627 118.700 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 -0.075 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 2.724 125.653 122.820 0.182 0.000 2.348 242 A HA 0.098 4.418 4.320 0.000 0.000 0.224 242 A C 0.621 178.243 177.584 0.064 0.000 1.227 242 A CA -0.103 51.993 52.037 0.099 0.000 0.885 242 A CB 0.075 19.104 19.000 0.049 0.000 0.933 242 A HN 0.600 nan 8.150 nan 0.000 0.506 243 T N 1.715 116.354 114.554 0.142 0.000 2.933 243 T HA 0.444 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 0.734 69.614 68.868 0.019 0.000 1.003 243 T HN 0.809 nan 8.240 nan 0.000 0.540 244 A N 2.205 125.023 122.820 -0.002 0.000 2.515 244 A HA 0.802 5.122 4.320 0.000 0.000 0.299 244 A C 1.266 178.825 177.584 -0.042 0.000 1.179 244 A CA -0.249 51.751 52.037 -0.061 0.000 0.656 244 A CB 0.382 19.302 19.000 -0.133 0.000 1.306 244 A HN 0.762 nan 8.150 nan 0.000 0.459 245 G N -0.886 107.882 108.800 -0.053 0.000 2.464 245 G HA2 0.366 4.326 3.960 0.000 0.000 0.217 245 G HA3 0.366 4.326 3.960 0.000 0.000 0.217 245 G C 0.657 175.536 174.900 -0.035 0.000 1.138 245 G CA 1.777 46.854 45.100 -0.039 0.000 0.793 245 G HN 1.578 nan 8.290 nan 0.000 0.539 246 T N -3.961 110.565 114.554 -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 70.277 68.868 -0.043 0.000 1.170 246 T HN -0.079 nan 8.240 nan 0.000 0.509 247 C N 0.520 119.789 119.300 -0.051 0.000 2.425 247 C HA -0.012 4.448 4.460 0.000 0.000 0.277 247 C C 2.631 177.567 174.990 -0.090 0.000 1.280 247 C CA 0.779 59.756 59.018 -0.068 0.000 1.744 247 C CB -1.357 26.351 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 1.713 178.246 176.600 -0.112 0.000 0.991 248 E CA 1.385 57.737 56.400 -0.080 0.000 0.799 248 E CB -0.289 29.378 29.700 -0.054 0.000 0.748 248 E HN 0.545 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 4.514 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 1.747 177.893 176.300 -0.256 0.000 1.067 250 M CA 1.253 56.426 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 0.272 119.726 119.600 -0.244 0.000 2.229 251 M HA -0.162 4.318 4.480 0.000 0.000 0.264 251 M C 1.938 178.076 176.300 -0.271 0.000 1.063 251 M CA 1.503 56.621 55.300 -0.302 0.000 1.114 251 M CB -1.201 31.253 32.600 -0.243 0.000 1.387 251 M HN 0.303 nan 8.290 nan 0.000 0.420 252 K N 0.071 120.336 120.400 -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 57.469 56.287 -0.170 0.000 0.928 252 K CB -0.116 32.286 32.500 -0.164 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 -0.513 0.000 2.073 253 R HA -0.026 4.314 4.340 0.000 0.000 0.229 253 R C 2.383 178.704 176.300 0.036 0.000 1.120 253 R CA 1.033 56.794 56.100 -0.565 0.000 0.967 253 R CB -0.291 29.550 30.300 -0.764 0.000 0.862 253 R HN 0.137 nan 8.270 nan 0.000 0.436 254 A N 0.937 123.713 122.820 -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 1.283 53.307 52.037 -0.021 0.000 0.623 254 A CB -0.517 18.308 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 2.266 178.545 176.094 0.309 0.000 1.055 255 V CA 2.071 64.467 62.300 0.160 0.000 1.049 255 V CB -0.887 30.997 31.823 0.101 0.000 0.662 255 V HN 0.617 nan 8.190 nan 0.000 0.455 256 F N 1.349 121.427 119.950 0.215 0.000 2.259 256 F HA 0.023 4.550 4.527 0.000 0.000 0.298 256 F C 2.233 178.235 175.800 0.337 0.000 1.088 256 F CA 0.777 58.954 58.000 0.295 0.000 1.358 256 F CB -0.604 38.645 39.000 0.415 0.000 1.040 256 F HN 0.081 nan 8.300 nan 0.000 0.505 257 A N 0.500 123.514 122.820 0.323 0.000 1.933 257 A HA -0.170 4.150 4.320 0.000 0.000 0.218 257 A C 2.456 180.089 177.584 0.081 0.000 1.175 257 A CA 1.353 53.480 52.037 0.149 0.000 0.628 257 A CB -0.702 18.396 19.000 0.164 0.000 0.814 257 A HN 0.284 nan 8.150 nan 0.000 0.444 258 R N 0.066 120.660 120.500 0.156 0.000 2.081 258 R HA -0.141 4.199 4.340 0.000 0.000 0.235 258 R C 2.054 178.406 176.300 0.087 0.000 1.131 258 R CA 1.838 58.022 56.100 0.140 0.000 0.960 258 R CB -0.460 29.972 30.300 0.221 0.000 0.856 258 R HN 0.781 nan 8.270 nan 0.000 0.436 259 E N 0.206 120.456 120.200 0.084 0.000 2.204 259 E HA -0.134 4.216 4.350 0.000 0.000 0.194 259 E C 1.873 178.455 176.600 -0.030 0.000 0.989 259 E CA 0.703 57.137 56.400 0.055 0.000 0.824 259 E CB 0.025 29.814 29.700 0.147 0.000 0.756 259 E HN 0.332 nan 8.360 nan 0.000 0.477 260 L N -0.685 120.458 121.223 -0.133 0.000 2.418 260 L HA 0.135 4.475 4.340 0.000 0.000 0.218 260 L C 1.559 178.470 176.870 0.069 0.000 1.125 260 L CA 0.531 55.312 54.840 -0.098 0.000 0.835 260 L CB 0.085 42.012 42.059 -0.219 0.000 0.953 260 L HN 0.411 nan 8.230 nan 0.000 0.454 261 G N 0.657 109.493 108.800 0.061 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 0.228 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 -1.920 118.034 119.914 0.067 0.000 2.881 262 V HA 0.693 4.813 4.120 0.000 0.000 0.303 262 V C 0.008 176.114 176.094 0.020 0.000 1.070 262 V CA -0.769 61.539 62.300 0.013 0.000 1.074 262 V CB 1.234 33.020 31.823 -0.061 0.000 1.012 262 V HN 0.100 nan 8.190 nan 0.000 0.482 263 P HA 0.295 nan 4.420 nan 0.000 0.245 263 P C 0.061 177.336 177.300 -0.041 0.000 1.203 263 P CA 0.584 63.686 63.100 0.003 0.000 0.792 263 P CB 0.581 32.303 31.700 0.036 0.000 0.997 264 I N 0.235 120.778 120.570 -0.044 0.000 2.692 264 I HA 0.332 4.502 4.170 0.000 0.000 0.293 264 I C -0.970 175.087 176.117 -0.100 0.000 1.200 264 I CA -1.289 59.937 61.300 -0.124 0.000 1.036 264 I CB 2.547 40.403 38.000 -0.240 0.000 1.258 264 I HN -0.288 nan 8.210 nan 0.000 0.421 265 V N 4.241 124.090 119.914 -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 1.922 33.753 31.823 0.014 0.000 1.136 265 V HN 0.917 nan 8.190 nan 0.000 0.455 266 M N 1.323 120.943 119.600 0.032 0.000 2.531 266 M HA 0.702 5.182 4.480 0.000 0.000 0.286 266 M C -1.972 174.442 176.300 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 0.960 120.065 119.070 0.057 0.000 2.974 267 H HA 0.442 4.998 4.556 0.000 0.000 0.366 267 H C -1.929 173.451 175.328 0.087 0.000 1.155 267 H CA -0.471 55.607 56.048 0.050 0.000 1.186 267 H CB 1.721 31.491 29.762 0.013 0.000 1.799 267 H HN 0.631 nan 8.280 nan 0.000 0.541 268 D N 4.543 124.671 120.400 -0.453 0.000 2.479 268 D HA 0.012 4.652 4.640 0.000 0.000 0.218 268 D C 0.723 176.726 176.300 -0.494 0.000 1.131 268 D CA -0.190 53.633 54.000 -0.295 0.000 0.916 268 D CB -0.031 40.622 40.800 -0.245 0.000 1.022 268 D HN 0.601 nan 8.370 nan 0.000 0.515 269 Y N 1.319 121.381 120.300 -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 1.041 58.959 58.100 -0.304 0.000 1.228 269 Y CB -0.399 37.985 38.460 -0.128 0.000 0.985 269 Y HN 0.260 nan 8.280 nan 0.000 0.542 270 L N 0.207 121.003 121.223 -0.711 0.000 2.202 270 L HA -0.027 4.314 4.340 0.000 0.000 0.205 270 L C 2.533 179.170 176.870 -0.390 0.000 1.083 270 L CA 1.342 55.760 54.840 -0.704 0.000 0.790 270 L CB -0.638 41.031 42.059 -0.649 0.000 0.942 270 L HN 0.400 nan 8.230 nan 0.000 0.452 271 T N -3.546 110.831 114.554 -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 0.777 62.755 62.100 -0.203 0.000 1.140 271 T CB -0.377 68.391 68.868 -0.166 0.000 0.886 271 T HN 0.299 nan 8.240 nan 0.000 0.470 272 G N 1.462 110.125 108.800 -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 -2.171 106.559 108.800 -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 0.028 174.882 174.900 -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 0.000 0.000 0.299 274 F C 3.097 178.936 175.800 0.064 0.000 1.090 274 F CA 2.189 60.256 58.000 0.112 0.000 1.307 274 F CB -0.583 38.471 39.000 0.091 0.000 1.019 274 F HN 0.534 nan 8.300 nan 0.000 0.489 275 T N -0.109 114.571 114.554 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 1.518 63.680 62.100 0.103 0.000 1.146 275 T CB -0.669 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 1.781 124.630 122.820 0.048 0.000 1.930 276 A HA -0.102 4.218 4.320 0.000 0.000 0.217 276 A C 2.248 179.784 177.584 -0.081 0.000 1.175 276 A CA 1.462 53.492 52.037 -0.011 0.000 0.627 276 A CB -0.729 18.287 19.000 0.027 0.000 0.815 276 A HN 0.549 nan 8.150 nan 0.000 0.443 277 N N -0.308 118.417 118.700 0.043 0.000 2.120 277 N HA -0.145 4.595 4.740 0.000 0.000 0.188 277 N C 1.544 177.028 175.510 -0.044 0.000 1.024 277 N CA 1.996 55.052 53.050 0.011 0.000 0.852 277 N CB -0.147 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 -0.203 114.335 114.554 -0.026 0.000 2.788 278 T HA -0.083 4.267 4.350 0.000 0.000 0.268 278 T C 1.829 176.309 174.700 -0.366 0.000 1.044 278 T CA 1.558 63.553 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 0.302 nan 8.240 nan 0.000 0.454 279 T N 2.086 116.504 114.554 -0.228 0.000 2.746 279 T HA -0.020 4.330 4.350 0.000 0.000 0.267 279 T C 1.860 176.514 174.700 -0.078 0.000 1.039 279 T CA 0.808 62.810 62.100 -0.163 0.000 1.142 279 T CB -0.406 68.402 68.868 -0.101 0.000 0.866 279 T HN 0.112 nan 8.240 nan 0.000 0.444 280 L N 0.954 122.105 121.223 -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 1.660 56.457 54.840 -0.072 0.000 0.755 280 L CB -0.959 40.952 42.059 -0.246 0.000 0.904 280 L HN 0.182 nan 8.230 nan 0.000 0.435 281 S N -1.506 114.190 115.700 -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 1.346 59.580 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 -0.719 118.361 119.070 0.017 0.000 2.357 282 H HA 0.009 4.566 4.556 0.000 0.000 0.301 282 H C 1.749 177.084 175.328 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 28.740 29.762 0.014 0.000 1.389 282 H HN 0.639 nan 8.280 nan 0.000 0.511 283 Y N 0.447 120.805 120.300 0.097 0.000 2.224 283 Y HA -0.242 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 1.321 59.449 58.100 0.047 0.000 1.182 283 Y CB -0.536 37.934 38.460 0.016 0.000 0.983 283 Y HN 0.151 nan 8.280 nan 0.000 0.524 284 C N 0.124 119.487 119.300 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 -1.178 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 1.865 122.323 120.500 -0.071 0.000 2.081 285 R HA -0.090 4.250 4.340 0.000 0.000 0.235 285 R C 1.493 177.709 176.300 -0.140 0.000 1.131 285 R CA 1.975 57.965 56.100 -0.183 0.000 0.960 285 R CB -0.897 29.295 30.300 -0.179 0.000 0.856 285 R HN 0.399 nan 8.270 nan 0.000 0.436 286 D N -0.210 120.096 120.400 -0.157 0.000 2.264 286 D HA -0.053 4.587 4.640 0.000 0.000 0.208 286 D C 0.382 176.560 176.300 -0.202 0.000 0.966 286 D CA 0.912 54.807 54.000 -0.175 0.000 0.864 286 D CB -0.009 40.676 40.800 -0.193 0.000 0.933 286 D HN 0.371 nan 8.370 nan 0.000 0.499 287 N N -0.686 117.859 118.700 -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 -0.055 0.000 1.179 287 N CA 0.299 53.224 53.050 -0.209 0.000 0.877 287 N CB 1.857 40.096 38.487 -0.412 0.000 1.072 287 N HN 0.056 nan 8.380 nan 0.000 0.519 288 G N 1.561 110.385 108.800 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 0.161 45.326 45.100 0.108 0.000 0.736 288 G HN 0.253 nan 8.290 nan 0.000 0.513 289 L N -0.085 121.193 121.223 0.091 0.000 2.307 289 L HA 0.588 4.928 4.340 0.000 0.000 0.282 289 L C 1.021 177.887 176.870 -0.007 0.000 1.051 289 L CA -1.045 53.805 54.840 0.018 0.000 0.804 289 L CB 1.372 43.475 42.059 0.074 0.000 1.197 289 L HN 0.038 nan 8.230 nan 0.000 0.431 290 L N 3.655 124.784 121.223 -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 3.079 124.194 121.223 -0.180 0.000 2.319 291 L HA 0.359 4.699 4.340 0.000 0.000 0.281 291 L C -0.558 176.105 176.870 -0.344 0.000 1.005 291 L CA -0.229 54.494 54.840 -0.195 0.000 0.828 291 L CB 1.039 43.051 42.059 -0.080 0.000 1.227 291 L HN 0.456 nan 8.230 nan 0.000 0.415 292 H N 5.414 124.163 119.070 -0.535 0.000 2.527 292 H HA 0.586 5.142 4.556 -0.000 0.000 0.321 292 H C -0.903 174.269 175.328 -0.259 0.000 1.087 292 H CA -0.490 55.206 56.048 -0.588 0.000 1.337 292 H CB 0.756 29.939 29.762 -0.966 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 -0.664 0.000 2.404 293 I HA 0.179 4.349 4.170 0.000 0.000 0.293 293 I C 0.082 175.930 176.117 -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 5.826 124.783 119.070 -0.189 0.000 2.463 294 H HA 0.366 4.922 4.556 0.000 0.000 0.332 294 H C 0.327 175.635 175.328 -0.033 0.000 1.127 294 H CA -0.415 55.487 56.048 -0.244 0.000 1.238 294 H CB 1.902 31.537 29.762 -0.212 0.000 1.478 294 H HN 0.481 nan 8.280 nan 0.000 0.499 295 R N 1.610 122.169 120.500 0.098 0.000 2.586 295 R HA 0.458 4.798 4.340 0.000 0.000 0.306 295 R C 0.233 176.595 176.300 0.103 0.000 1.079 295 R CA -0.572 55.619 56.100 0.151 0.000 1.083 295 R CB 0.152 30.475 30.300 0.039 0.000 1.306 295 R HN 0.337 nan 8.270 nan 0.000 0.567 296 A N 1.657 124.502 122.820 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 0.908 52.938 52.037 -0.013 0.000 0.760 296 A CB -0.210 18.727 19.000 -0.106 0.000 0.946 296 A HN 0.870 nan 8.150 nan 0.000 0.512 297 M N 0.611 120.191 119.600 -0.032 0.000 3.019 297 M HA -0.290 4.190 4.480 0.000 0.000 0.214 297 M C 0.852 177.110 176.300 -0.070 0.000 0.577 297 M CA 1.864 57.116 55.300 -0.081 0.000 0.816 297 M CB -2.088 30.446 32.600 -0.111 0.000 2.911 297 M HN 1.240 nan 8.290 nan 0.000 0.302 298 H N -1.115 117.897 119.070 -0.096 0.000 2.389 298 H HA 0.342 4.898 4.556 0.000 0.000 0.299 298 H C 1.740 177.029 175.328 -0.064 0.000 1.081 298 H CA 1.618 57.628 56.048 -0.063 0.000 1.345 298 H CB -0.412 29.347 29.762 -0.005 0.000 1.393 298 H HN 0.478 nan 8.280 nan 0.000 0.520 299 A N 1.173 123.493 122.820 -0.834 0.000 2.172 299 A HA 0.014 4.334 4.320 0.000 0.000 0.216 299 A C 2.283 179.715 177.584 -0.252 0.000 1.154 299 A CA 1.022 52.720 52.037 -0.565 0.000 0.701 299 A CB -0.650 18.004 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 2.023 178.069 176.094 -0.079 0.000 1.080 300 V CA 1.718 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 0.370 120.892 120.570 -0.080 0.000 3.616 301 I HA 0.042 4.212 4.170 0.000 0.000 0.296 301 I C 1.571 177.676 176.117 -0.019 0.000 1.226 301 I CA 0.780 62.050 61.300 -0.050 0.000 1.394 301 I CB 0.144 38.101 38.000 -0.071 0.000 1.171 301 I HN 0.421 nan 8.210 nan 0.000 0.442 302 D N -0.277 120.107 120.400 -0.027 0.000 2.395 302 D HA -0.025 4.615 4.640 0.000 0.000 0.213 302 D C 1.787 178.077 176.300 -0.017 0.000 1.110 302 D CA -0.054 53.942 54.000 -0.007 0.000 0.835 302 D CB 0.079 40.893 40.800 0.023 0.000 0.965 302 D HN -0.062 nan 8.370 nan 0.000 0.505 303 R N 0.265 120.744 120.500 -0.034 0.000 2.057 303 R HA 0.029 4.369 4.340 0.000 0.000 0.229 303 R C 0.465 176.785 176.300 0.034 0.000 1.136 303 R CA 1.132 57.219 56.100 -0.021 0.000 0.952 303 R CB -0.171 30.094 30.300 -0.057 0.000 0.848 303 R HN 0.047 nan 8.270 nan 0.000 0.430 304 Q N 0.772 120.602 119.800 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 30.228 28.738 0.077 0.000 1.215 304 Q HN 0.204 nan 8.270 nan 0.000 0.425 305 K N 2.162 122.627 120.400 0.108 0.000 2.366 305 K HA -0.088 4.232 4.320 0.000 0.000 0.198 305 K C 1.016 177.684 176.600 0.114 0.000 1.044 305 K CA 0.980 57.339 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 -1.063 117.707 118.700 0.118 0.000 2.356 306 N HA -0.080 4.660 4.740 0.000 0.000 0.178 306 N C -0.390 175.231 175.510 0.185 0.000 1.075 306 N CA 0.278 53.402 53.050 0.124 0.000 0.889 306 N CB 0.164 38.713 38.487 0.104 0.000 0.999 306 N HN 0.166 nan 8.380 nan 0.000 0.464 307 H N -1.229 117.904 119.070 0.104 0.000 2.954 307 H HA 0.578 5.134 4.556 0.000 0.000 0.361 307 H C 0.047 175.476 175.328 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 31.448 29.762 0.128 0.000 1.776 307 H HN 0.326 nan 8.280 nan 0.000 0.533 308 G N 2.343 111.180 108.800 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 0.077 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 0.679 120.287 119.600 0.013 0.000 2.378 309 M HA 0.375 4.855 4.480 0.000 0.000 0.289 309 M C -0.344 175.995 176.300 0.065 0.000 1.136 309 M CA -0.806 54.499 55.300 0.008 0.000 0.917 309 M CB 2.428 34.947 32.600 -0.135 0.000 1.669 309 M HN 0.775 nan 8.290 nan 0.000 0.461 310 H N 1.622 120.711 119.070 0.032 0.000 2.679 310 H HA 0.103 4.659 4.556 0.000 0.000 0.369 310 H C 0.104 175.496 175.328 0.105 0.000 1.178 310 H CA 0.634 56.739 56.048 0.096 0.000 1.419 310 H CB 0.938 30.761 29.762 0.102 0.000 1.458 310 H HN 0.766 nan 8.280 nan 0.000 0.605 311 F N 3.970 123.627 119.950 -0.487 0.000 2.202 311 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 311 F C 2.620 178.334 175.800 -0.144 0.000 1.082 311 F CA 1.595 59.416 58.000 -0.298 0.000 1.313 311 F CB -0.114 38.593 39.000 -0.489 0.000 1.024 311 F HN 0.658 nan 8.300 nan 0.000 0.495 312 R N -0.510 120.061 120.500 0.118 0.000 2.152 312 R HA -0.105 4.235 4.340 0.000 0.000 0.232 312 R C 1.735 178.011 176.300 -0.041 0.000 1.117 312 R CA 1.806 57.931 56.100 0.043 0.000 0.981 312 R CB -1.349 29.162 30.300 0.351 0.000 0.870 312 R HN 0.291 nan 8.270 nan 0.000 0.451 313 V N 1.714 121.633 119.914 0.009 0.000 2.453 313 V HA -0.124 3.997 4.120 0.000 0.000 0.247 313 V C 2.353 178.468 176.094 0.036 0.000 1.048 313 V CA 1.340 63.664 62.300 0.040 0.000 1.049 313 V CB -0.308 31.543 31.823 0.046 0.000 0.672 313 V HN 0.275 nan 8.190 nan 0.000 0.457 314 L N 0.060 121.231 121.223 -0.087 0.000 2.217 314 L HA -0.036 4.304 4.340 0.000 0.000 0.211 314 L C 2.599 179.370 176.870 -0.164 0.000 1.107 314 L CA 1.154 56.001 54.840 0.011 0.000 0.783 314 L CB -0.667 41.401 42.059 0.015 0.000 0.919 314 L HN 0.346 nan 8.230 nan 0.000 0.442 315 A N 0.121 122.591 122.820 -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 1.090 52.814 52.037 -0.522 0.000 0.632 315 A CB -0.160 18.435 19.000 -0.676 0.000 0.819 315 A HN 0.243 nan 8.150 nan 0.000 0.445 316 K N -0.154 120.214 120.400 -0.054 0.000 2.057 316 K HA -0.045 4.275 4.320 0.000 0.000 0.206 316 K C 2.290 178.898 176.600 0.014 0.000 1.050 316 K CA 1.078 57.434 56.287 0.115 0.000 0.935 316 K CB -0.316 32.290 32.500 0.177 0.000 0.715 316 K HN 0.413 nan 8.250 nan 0.000 0.439 317 A N 1.828 124.633 122.820 -0.025 0.000 1.978 317 A HA -0.162 4.158 4.320 0.000 0.000 0.220 317 A C 2.024 179.566 177.584 -0.069 0.000 1.170 317 A CA 1.115 53.064 52.037 -0.148 0.000 0.636 317 A CB -0.501 18.432 19.000 -0.112 0.000 0.810 317 A HN 0.251 nan 8.150 nan 0.000 0.448 318 L N -0.489 120.734 121.223 -0.001 0.000 2.072 318 L HA -0.053 4.287 4.340 0.000 0.000 0.205 318 L C 2.412 179.167 176.870 -0.192 0.000 1.079 318 L CA 2.137 56.891 54.840 -0.143 0.000 0.752 318 L CB -0.845 40.944 42.059 -0.450 0.000 0.906 318 L HN 0.537 nan 8.230 nan 0.000 0.436 319 R N -0.382 119.987 120.500 -0.219 0.000 2.120 319 R HA -0.150 4.190 4.340 0.000 0.000 0.234 319 R C 2.316 178.482 176.300 -0.223 0.000 1.123 319 R CA 1.220 57.149 56.100 -0.286 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 -0.826 120.259 121.223 -0.229 0.000 2.049 320 L HA -0.088 4.252 4.340 0.000 0.000 0.203 320 L C 2.599 179.368 176.870 -0.168 0.000 1.074 320 L CA 1.315 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 -0.730 114.905 115.700 -0.108 0.000 2.356 321 S HA 0.004 4.474 4.470 0.000 0.000 0.223 321 S C 0.841 175.474 174.600 0.055 0.000 1.032 321 S CA 1.141 59.380 58.200 0.066 0.000 1.005 321 S CB -0.255 63.038 63.200 0.156 0.000 0.867 321 S HN 0.612 nan 8.310 nan 0.000 0.449 322 G N -1.628 107.160 108.800 -0.020 0.000 2.957 322 G HA2 0.439 4.399 3.960 0.000 0.000 0.636 322 G HA3 0.439 4.399 3.960 0.000 0.000 0.636 322 G C -0.337 174.514 174.900 -0.082 0.000 1.401 322 G CA -0.433 44.645 45.100 -0.036 0.000 0.941 322 G HN 1.101 nan 8.290 nan 0.000 0.610 323 G N 0.467 109.201 108.800 -0.111 0.000 2.596 323 G HA2 0.587 4.547 3.960 0.000 0.000 0.296 323 G HA3 0.587 4.547 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 0.180 45.197 45.100 -0.138 0.000 0.851 323 G HN 0.367 nan 8.290 nan 0.000 0.548 324 D N -0.404 119.929 120.400 -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 -0.752 118.193 119.070 -0.209 0.000 2.821 325 H HA 0.613 5.169 4.556 -0.000 0.000 0.373 325 H C -0.854 174.274 175.328 -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 4.306 4.170 0.000 0.000 0.291 326 I C -0.684 175.389 176.117 -0.073 0.000 1.180 326 I CA -0.525 60.679 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 0.468 175.706 175.328 -0.149 0.000 1.030 327 H CA 0.810 56.743 56.048 -0.191 0.000 1.445 327 H CB 1.002 30.648 29.762 -0.193 0.000 1.449 327 H HN 0.647 nan 8.280 nan 0.000 0.581 328 S N 1.908 117.562 115.700 -0.078 0.000 2.847 328 S HA 0.330 4.800 4.470 0.000 0.000 0.254 328 S C 0.753 175.415 174.600 0.104 0.000 1.039 328 S CA 0.057 58.306 58.200 0.082 0.000 1.113 328 S CB 0.959 64.353 63.200 0.324 0.000 1.092 328 S HN 1.085 nan 8.310 nan 0.000 0.620 329 G N 1.222 109.995 108.800 -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 0.229 175.149 174.900 0.032 0.000 1.298 329 G CA 0.189 45.295 45.100 0.010 0.000 0.855 329 G HN 1.070 nan 8.290 nan 0.000 0.560 330 T N -3.321 111.251 114.554 0.030 0.000 2.959 330 T HA 0.491 4.841 4.350 0.000 0.000 0.254 330 T C 1.770 176.521 174.700 0.085 0.000 1.003 330 T CA 1.312 63.441 62.100 0.049 0.000 0.950 330 T CB 0.560 69.361 68.868 -0.113 0.000 1.090 330 T HN 2.272 nan 8.240 nan 0.000 0.503 331 V N 0.872 120.817 119.914 0.052 0.000 0.542 331 V HA -0.335 3.785 4.120 0.000 0.000 0.092 331 V C 2.052 178.152 176.094 0.009 0.000 2.107 331 V CA 2.143 64.458 62.300 0.025 0.000 3.514 331 V CB -1.829 29.986 31.823 -0.013 0.000 0.805 331 V HN 0.770 nan 8.190 nan 0.000 0.840 332 V N -0.671 119.222 119.914 -0.034 0.000 3.623 332 V HA 0.620 4.740 4.120 0.000 0.000 0.271 332 V C 1.173 177.198 176.094 -0.115 0.000 1.248 332 V CA 1.576 63.843 62.300 -0.055 0.000 1.156 332 V CB -0.226 31.532 31.823 -0.109 0.000 0.870 332 V HN 0.952 nan 8.190 nan 0.000 0.453 333 G N 1.236 109.933 108.800 -0.172 0.000 2.695 333 G HA2 0.286 4.246 3.960 0.000 0.000 0.213 333 G HA3 0.286 4.246 3.960 0.000 0.000 0.213 333 G C 0.696 175.336 174.900 -0.433 0.000 1.406 333 G CA -0.019 44.906 45.100 -0.292 0.000 1.049 333 G HN 0.471 nan 8.290 nan 0.000 0.573 334 K N -1.096 118.824 120.400 -0.800 0.000 2.432 334 K HA 0.179 4.499 4.320 0.000 0.000 0.196 334 K C 0.168 176.583 176.600 -0.308 0.000 1.038 334 K CA 0.385 56.192 56.287 -0.800 0.000 0.986 334 K CB -0.215 31.766 32.500 -0.866 0.000 0.782 334 K HN 0.211 nan 8.250 nan 0.000 0.485 335 L N 1.662 122.763 121.223 -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 0.928 121.109 120.200 -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 0.411 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 0.757 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 3.965 3.960 0.000 0.000 0.256 337 G HA3 0.005 3.965 3.960 0.000 0.000 0.256 337 G C -1.158 173.790 174.900 0.081 0.000 2.065 337 G CA -0.781 44.382 45.100 0.105 0.000 0.882 337 G HN 0.391 nan 8.290 nan 0.000 0.574 338 E N 1.596 121.850 120.200 0.091 0.000 2.354 338 E HA 0.182 4.532 4.350 0.000 0.000 0.269 338 E C 1.368 177.969 176.600 0.001 0.000 1.036 338 E CA -0.602 55.831 56.400 0.055 0.000 0.876 338 E CB 1.996 31.740 29.700 0.074 0.000 1.009 338 E HN 0.625 nan 8.360 nan 0.000 0.416 339 R N 2.149 122.632 120.500 -0.027 0.000 2.080 339 R HA -0.200 4.140 4.340 0.000 0.000 0.236 339 R C 0.898 177.132 176.300 -0.110 0.000 1.137 339 R CA 1.975 58.023 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 0.158 120.518 120.400 -0.066 0.000 2.097 340 D HA -0.109 4.531 4.640 0.000 0.000 0.197 340 D C 1.902 178.158 176.300 -0.073 0.000 0.984 340 D CA 1.145 55.105 54.000 -0.066 0.000 0.826 340 D CB -0.105 40.674 40.800 -0.034 0.000 0.973 340 D HN 0.293 nan 8.370 nan 0.000 0.460 341 I N 0.483 121.035 120.570 -0.030 0.000 2.315 341 I HA -0.228 3.942 4.170 0.000 0.000 0.248 341 I C 2.112 178.118 176.117 -0.186 0.000 1.117 341 I CA 0.958 62.266 61.300 0.014 0.000 1.404 341 I CB -0.182 37.918 38.000 0.167 0.000 1.071 341 I HN 0.010 nan 8.210 nan 0.000 0.419 342 T N 1.257 115.616 114.554 -0.324 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 -0.288 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 -0.037 4.303 4.340 0.000 0.000 0.213 343 L C 2.853 179.626 176.870 -0.161 0.000 1.100 343 L CA 1.091 55.788 54.840 -0.238 0.000 0.765 343 L CB -0.849 41.104 42.059 -0.177 0.000 0.904 343 L HN 0.354 nan 8.230 nan 0.000 0.437 344 G N 0.939 109.644 108.800 -0.157 0.000 2.414 344 G HA2 -0.295 3.665 3.960 0.000 0.000 0.215 344 G HA3 -0.295 3.665 3.960 0.000 0.000 0.215 344 G C 1.284 176.234 174.900 0.085 0.000 1.188 344 G CA 0.848 45.935 45.100 -0.022 0.000 0.783 344 G HN 0.479 nan 8.290 nan 0.000 0.537 345 F N 0.603 120.651 119.950 0.163 0.000 2.558 345 F HA 0.275 4.802 4.527 0.000 0.000 0.298 345 F C 2.077 177.971 175.800 0.155 0.000 1.119 345 F CA -0.192 57.915 58.000 0.178 0.000 1.451 345 F CB -0.788 38.357 39.000 0.242 0.000 1.091 345 F HN -0.015 nan 8.300 nan 0.000 0.563 346 V N 1.162 121.178 119.914 0.171 0.000 2.427 346 V HA -0.222 3.898 4.120 0.000 0.000 0.248 346 V C 2.035 178.220 176.094 0.152 0.000 1.051 346 V CA 2.206 64.635 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 -0.003 120.464 120.400 0.112 0.000 2.144 347 D HA -0.074 4.566 4.640 0.000 0.000 0.200 347 D C 2.087 178.471 176.300 0.140 0.000 0.978 347 D CA 1.033 55.095 54.000 0.103 0.000 0.833 347 D CB -0.163 40.686 40.800 0.082 0.000 0.961 347 D HN 0.329 nan 8.370 nan 0.000 0.470 348 L N 0.102 121.444 121.223 0.197 0.000 2.201 348 L HA -0.086 4.254 4.340 0.000 0.000 0.212 348 L C 2.303 179.240 176.870 0.111 0.000 1.105 348 L CA 0.444 55.449 54.840 0.275 0.000 0.775 348 L CB -0.119 42.135 42.059 0.324 0.000 0.913 348 L HN 0.048 nan 8.230 nan 0.000 0.440 349 L N -1.055 120.196 121.223 0.047 0.000 2.162 349 L HA -0.050 4.290 4.340 0.000 0.000 0.205 349 L C 2.620 179.386 176.870 -0.173 0.000 1.086 349 L CA 0.890 55.668 54.840 -0.104 0.000 0.778 349 L CB -0.161 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 -0.075 176.199 176.300 -0.044 0.000 1.018 350 R CA 0.087 56.154 56.100 -0.055 0.000 1.029 350 R CB 0.158 30.465 30.300 0.011 0.000 0.959 350 R HN 0.228 nan 8.270 nan 0.000 0.480 351 D N 0.277 120.681 120.400 0.007 0.000 2.388 351 D HA 0.012 4.652 4.640 0.000 0.000 0.254 351 D C 0.200 176.590 176.300 0.149 0.000 1.111 351 D CA -0.150 53.900 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 -0.130 nan 8.370 nan 0.000 0.502 352 D N -1.480 119.054 120.400 0.223 0.000 2.333 352 D HA -0.041 4.599 4.640 0.000 0.000 0.208 352 D C -0.793 175.790 176.300 0.472 0.000 0.984 352 D CA 0.329 54.528 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 -0.644 119.798 120.300 0.237 0.000 2.436 353 Y HA 0.406 4.956 4.550 0.000 0.000 0.327 353 Y C -1.679 174.312 175.900 0.153 0.000 1.138 353 Y CA -0.745 57.455 58.100 0.167 0.000 1.042 353 Y CB 1.608 40.129 38.460 0.100 0.000 1.302 353 Y HN -0.303 nan 8.280 nan 0.000 0.439 354 T N 5.534 119.874 114.554 -0.357 0.000 2.928 354 T HA 0.263 4.613 4.350 0.000 0.000 0.296 354 T C -1.121 173.312 174.700 -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 2.103 122.108 120.200 -0.326 0.000 2.313 355 E HA 0.279 4.630 4.350 0.000 0.000 0.272 355 E C 0.132 176.679 176.600 -0.090 0.000 1.038 355 E CA -0.761 55.504 56.400 -0.225 0.000 0.863 355 E CB 0.801 30.464 29.700 -0.061 0.000 1.060 355 E HN 0.434 nan 8.360 nan 0.000 0.402 356 K N 2.397 122.766 120.400 -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 0.788 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 3.601 123.961 120.400 -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 0.439 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 0.678 121.073 120.500 -0.176 0.000 2.200 358 R HA -0.088 4.252 4.340 0.000 0.000 0.234 358 R C 1.797 178.001 176.300 -0.160 0.000 1.127 358 R CA 1.218 57.164 56.100 -0.255 0.000 0.989 358 R CB -0.574 29.556 30.300 -0.284 0.000 0.869 358 R HN 0.500 nan 8.270 nan 0.000 0.459 359 S N 0.324 115.965 115.700 -0.098 0.000 2.447 359 S HA -0.064 4.406 4.470 0.000 0.000 0.233 359 S C 1.609 176.179 174.600 -0.050 0.000 1.006 359 S CA 0.617 58.779 58.200 -0.064 0.000 0.957 359 S CB -0.010 63.162 63.200 -0.045 0.000 0.773 359 S HN 0.307 nan 8.310 nan 0.000 0.507 360 R N 0.280 120.749 120.500 -0.052 0.000 2.432 360 R HA 0.324 4.664 4.340 0.000 0.000 0.260 360 R C 1.220 177.513 176.300 -0.012 0.000 0.935 360 R CA 0.335 56.419 56.100 -0.028 0.000 1.080 360 R CB 0.336 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 0.121 175.076 174.900 0.093 0.000 0.991 361 G CA -0.193 44.904 45.100 -0.005 0.000 0.689 361 G HN 0.272 nan 8.290 nan 0.000 0.522 362 I N 1.011 121.590 120.570 0.015 0.000 2.287 362 I HA 0.306 4.476 4.170 0.000 0.000 0.290 362 I C 1.253 177.381 176.117 0.019 0.000 1.069 362 I CA -0.938 60.421 61.300 0.098 0.000 1.237 362 I CB 0.459 38.495 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 0.134 4.684 4.550 0.000 0.000 0.292 363 Y C 0.295 175.923 175.900 -0.453 0.000 1.125 363 Y CA 0.435 58.347 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 4.942 4.527 -0.000 0.000 0.311 364 F C 0.215 176.024 175.800 0.016 0.000 1.076 364 F CA -1.628 56.441 58.000 0.115 0.000 0.937 364 F CB 1.111 40.181 39.000 0.116 0.000 1.282 364 F HN -0.515 nan 8.300 nan 0.000 0.460 365 T N 1.569 116.231 114.554 0.179 0.000 2.851 365 T HA 0.334 4.684 4.350 0.000 0.000 0.298 365 T C -0.625 174.035 174.700 -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 2.033 121.718 119.800 -0.190 0.000 2.340 366 Q HA 0.552 4.892 4.340 0.000 0.000 0.268 366 Q C -1.185 174.631 176.000 -0.306 0.000 1.031 366 Q CA -0.392 55.249 55.803 -0.269 0.000 0.804 366 Q CB 1.480 30.055 28.738 -0.271 0.000 1.286 366 Q HN 0.594 nan 8.270 nan 0.000 0.448 367 S N 2.996 118.523 115.700 -0.289 0.000 2.537 367 S HA 0.466 4.936 4.470 0.000 0.000 0.301 367 S C -0.758 173.653 174.600 -0.316 0.000 1.092 367 S CA -0.521 57.633 58.200 -0.077 0.000 1.048 367 S CB 0.608 63.863 63.200 0.092 0.000 1.053 367 S HN 0.821 nan 8.310 nan 0.000 0.501 368 W N 0.825 122.176 121.300 0.085 0.000 2.870 368 W HA 0.227 4.887 4.660 -0.000 0.000 0.358 368 W C 0.517 177.060 176.519 0.040 0.000 1.043 368 W CA -0.515 56.857 57.345 0.044 0.000 1.692 368 W CB -0.074 29.405 29.460 0.031 0.000 1.100 368 W HN 0.594 nan 8.180 nan 0.000 0.557 369 V N -0.161 119.879 119.914 0.209 0.000 5.482 369 V HA -0.390 3.730 4.120 0.000 0.000 0.262 369 V C 0.699 176.875 176.094 0.138 0.000 0.664 369 V CA 0.763 63.147 62.300 0.140 0.000 0.609 369 V CB -2.544 29.336 31.823 0.095 0.000 0.306 369 V HN 0.487 nan 8.190 nan 0.000 0.731 370 S N -2.142 113.650 115.700 0.152 0.000 3.382 370 S HA -0.204 4.266 4.470 0.000 0.000 0.293 370 S C 0.651 175.304 174.600 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 61.430 63.200 0.071 0.000 1.136 370 S HN 1.488 nan 8.310 nan 0.000 0.635 371 T N 3.776 118.409 114.554 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 -0.486 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 0.378 177.593 177.300 -0.140 0.000 1.217 372 P CA -0.258 62.804 63.100 -0.064 0.000 0.783 372 P CB 0.376 32.051 31.700 -0.043 0.000 0.898 373 G N 0.195 108.926 108.800 -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 -0.883 173.944 174.900 -0.122 0.000 1.177 373 G CA -0.442 44.563 45.100 -0.158 0.000 0.870 373 G HN 0.354 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 4.395 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 -0.869 61.369 62.300 -0.102 0.000 0.908 374 V CB 1.554 33.290 31.823 -0.146 0.000 0.985 374 V HN 0.538 nan 8.190 nan 0.000 0.454 375 L N 8.423 129.620 121.223 -0.043 0.000 2.313 375 L HA 0.439 4.779 4.340 0.000 0.000 0.282 375 L C -2.026 174.764 176.870 -0.134 0.000 1.092 375 L CA -1.590 53.197 54.840 -0.089 0.000 0.831 375 L CB 0.947 42.919 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 62.741 63.100 -0.147 0.000 0.789 376 P CB 1.372 33.043 31.700 -0.048 0.000 0.933 377 V N 2.829 122.530 119.914 -0.354 0.000 2.357 377 V HA 0.486 4.606 4.120 0.000 0.000 0.284 377 V C 0.517 176.264 176.094 -0.578 0.000 1.018 377 V CA -0.834 61.185 62.300 -0.467 0.000 0.841 377 V CB 1.146 32.700 31.823 -0.448 0.000 0.991 377 V HN 0.681 nan 8.190 nan 0.000 0.437 378 A N 3.951 126.398 122.820 -0.622 0.000 2.269 378 A HA 0.786 5.106 4.320 0.000 0.000 0.302 378 A C 0.133 177.434 177.584 -0.472 0.000 1.266 378 A CA -0.158 51.546 52.037 -0.555 0.000 0.894 378 A CB 0.811 19.445 19.000 -0.609 0.000 1.147 378 A HN 0.921 nan 8.150 nan 0.000 0.537 379 S N 1.824 117.298 115.700 -0.377 0.000 2.543 379 S HA 0.722 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 0.389 58.406 58.200 -0.306 0.000 0.914 379 S CB 1.226 64.269 63.200 -0.262 0.000 1.096 379 S HN 2.535 nan 8.310 nan 0.000 0.471 380 G N 1.749 110.441 108.800 -0.180 0.000 2.421 380 G HA2 0.458 4.418 3.960 0.000 0.000 0.360 380 G HA3 0.458 4.418 3.960 0.000 0.000 0.360 380 G C 0.840 175.599 174.900 -0.236 0.000 1.219 380 G CA 0.349 45.356 45.100 -0.155 0.000 1.257 380 G HN 2.166 nan 8.290 nan 0.000 0.609 381 G N -0.082 108.605 108.800 -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 0.576 175.458 174.900 -0.030 0.000 1.005 381 G CA 0.820 45.796 45.100 -0.208 0.000 0.713 381 G HN 2.172 nan 8.290 nan 0.000 0.515 382 I N -1.840 118.711 120.570 -0.032 0.000 2.676 382 I HA 0.955 5.125 4.170 0.000 0.000 0.309 382 I C 0.249 176.586 176.117 0.366 0.000 0.990 382 I CA -1.324 60.034 61.300 0.097 0.000 1.168 382 I CB 1.575 39.502 38.000 -0.122 0.000 1.343 382 I HN 0.339 nan 8.210 nan 0.000 0.482 383 H N 0.934 120.325 119.070 0.536 0.000 2.942 383 H HA 0.429 4.985 4.556 -0.000 0.000 0.316 383 H C 0.656 176.035 175.328 0.084 0.000 1.323 383 H CA -0.478 55.618 56.048 0.081 0.000 1.144 383 H CB 0.695 30.246 29.762 -0.351 0.000 1.866 383 H HN 0.379 nan 8.280 nan 0.000 0.545 384 V N -2.762 117.192 119.914 0.067 0.000 2.363 384 V HA -0.307 3.813 4.120 0.000 0.000 0.254 384 V C 1.297 177.342 176.094 -0.081 0.000 1.074 384 V CA 2.030 64.264 62.300 -0.110 0.000 1.069 384 V CB -1.266 30.409 31.823 -0.247 0.000 0.659 384 V HN 0.810 nan 8.190 nan 0.000 0.455 385 W N -0.441 120.955 121.300 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 0.981 58.341 57.345 0.025 0.000 1.262 385 W CB -0.368 29.129 29.460 0.063 0.000 1.122 385 W HN 0.368 nan 8.180 nan 0.000 0.607 386 H N -0.908 118.235 119.070 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 1.376 121.111 119.600 0.227 0.000 2.106 387 M HA -0.091 4.389 4.480 0.000 0.000 0.259 387 M C -0.918 175.471 176.300 0.149 0.000 1.068 387 M CA 1.693 57.099 55.300 0.177 0.000 1.100 387 M CB -0.842 31.803 32.600 0.075 0.000 1.351 387 M HN 0.080 nan 8.290 nan 0.000 0.404 388 P HA -0.015 nan 4.420 nan 0.000 0.217 388 P C 1.052 178.419 177.300 0.111 0.000 1.151 388 P CA 1.929 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 -0.564 122.335 122.820 0.131 0.000 1.898 389 A HA -0.148 4.172 4.320 0.000 0.000 0.216 389 A C 2.166 179.803 177.584 0.087 0.000 1.181 389 A CA 1.356 53.453 52.037 0.099 0.000 0.620 389 A CB -1.635 17.436 19.000 0.119 0.000 0.819 389 A HN 0.094 nan 8.150 nan 0.000 0.442 390 L N -0.761 120.549 121.223 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 0.214 0.000 0.745 390 L CB -0.932 41.258 42.059 0.218 0.000 0.894 390 L HN 0.327 nan 8.230 nan 0.000 0.432 391 T N -1.204 113.442 114.554 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 1.149 63.325 62.100 0.126 0.000 1.135 391 T CB -0.086 68.842 68.868 0.100 0.000 0.869 391 T HN 0.337 nan 8.240 nan 0.000 0.466 392 E N 0.773 121.007 120.200 0.057 0.000 2.076 392 E HA -0.021 4.329 4.350 0.000 0.000 0.190 392 E C 2.179 178.749 176.600 -0.050 0.000 0.979 392 E CA 0.662 57.070 56.400 0.013 0.000 0.807 392 E CB -0.087 29.621 29.700 0.014 0.000 0.761 392 E HN 0.479 nan 8.360 nan 0.000 0.454 393 I N -0.017 120.480 120.570 -0.123 0.000 2.233 393 I HA -0.221 3.950 4.170 0.000 0.000 0.243 393 I C 1.967 177.820 176.117 -0.440 0.000 1.093 393 I CA 1.029 62.122 61.300 -0.345 0.000 1.380 393 I CB -0.196 37.456 38.000 -0.580 0.000 1.067 393 I HN 0.048 nan 8.210 nan 0.000 0.413 394 F N 0.495 120.437 119.950 -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 0.683 58.673 58.000 -0.016 0.000 1.438 394 F CB -0.736 38.248 39.000 -0.026 0.000 1.107 394 F HN 0.147 nan 8.300 nan 0.000 0.546 395 G N 0.523 109.419 108.800 0.159 0.000 2.725 395 G HA2 -0.249 3.711 3.960 0.000 0.000 0.220 395 G HA3 -0.249 3.711 3.960 0.000 0.000 0.220 395 G C 0.114 175.078 174.900 0.106 0.000 1.357 395 G CA -0.107 45.056 45.100 0.105 0.000 0.866 395 G HN 0.094 nan 8.290 nan 0.000 0.548 396 D N 0.385 120.833 120.400 0.079 0.000 2.144 396 D HA 0.005 4.645 4.640 0.000 0.000 0.199 396 D C 0.948 177.282 176.300 0.057 0.000 0.984 396 D CA 1.483 55.524 54.000 0.067 0.000 0.834 396 D CB -0.098 40.742 40.800 0.065 0.000 0.955 396 D HN 0.403 nan 8.370 nan 0.000 0.465 397 D N 0.692 121.128 120.400 0.060 0.000 2.558 397 D HA 0.180 4.820 4.640 0.000 0.000 0.221 397 D C -0.006 176.301 176.300 0.012 0.000 1.143 397 D CA 0.072 54.094 54.000 0.037 0.000 1.010 397 D CB 0.025 40.850 40.800 0.041 0.000 1.068 397 D HN 0.030 nan 8.370 nan 0.000 0.511 398 S N -1.226 114.456 115.700 -0.030 0.000 2.611 398 S HA 0.594 5.064 4.470 0.000 0.000 0.268 398 S C -1.019 173.494 174.600 -0.145 0.000 1.156 398 S CA -0.917 57.208 58.200 -0.125 0.000 0.817 398 S CB 1.735 64.848 63.200 -0.145 0.000 1.122 398 S HN -0.070 nan 8.310 nan 0.000 0.466 399 V N 1.679 121.454 119.914 -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 1.212 32.928 31.823 -0.179 0.000 0.992 399 V HN 0.809 nan 8.190 nan 0.000 0.426 400 L N 5.136 126.267 121.223 -0.154 0.000 2.272 400 L HA 0.590 4.930 4.340 0.000 0.000 0.289 400 L C -0.167 176.491 176.870 -0.354 0.000 1.032 400 L CA -0.333 54.337 54.840 -0.283 0.000 0.810 400 L CB 1.368 43.360 42.059 -0.110 0.000 1.205 400 L HN 0.613 nan 8.230 nan 0.000 0.422 401 Q N 3.194 122.660 119.800 -0.556 0.000 2.316 401 Q HA 0.556 4.896 4.340 0.000 0.000 0.264 401 Q C -1.502 174.101 176.000 -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 -0.220 0.000 1.287 401 Q HN 0.399 nan 8.270 nan 0.000 0.448 402 F N 0.905 120.823 119.950 -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 45.775 45.100 0.057 0.000 0.835 403 G HN 0.753 nan 8.290 nan 0.000 0.551 404 G N 0.641 109.476 108.800 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 1.663 176.599 174.900 0.060 0.000 1.135 404 G CA 1.282 46.429 45.100 0.079 0.000 0.767 404 G HN 0.668 nan 8.290 nan 0.000 0.550 405 G N -0.665 108.117 108.800 -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 1.562 46.534 45.100 -0.214 0.000 0.788 405 G HN 0.413 nan 8.290 nan 0.000 0.531 406 T N 0.013 114.643 114.554 0.127 0.000 3.138 406 T HA 0.098 4.448 4.350 0.000 0.000 0.245 406 T C 1.922 176.720 174.700 0.163 0.000 0.982 406 T CA -0.178 62.000 62.100 0.130 0.000 1.134 406 T CB -0.010 68.903 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 0.266 4.606 4.340 0.000 0.000 0.233 407 L C 2.193 179.172 176.870 0.182 0.000 1.156 407 L CA 0.823 55.736 54.840 0.121 0.000 0.866 407 L CB -0.224 41.876 42.059 0.068 0.000 0.980 407 L HN 0.367 nan 8.230 nan 0.000 0.448 408 G N -3.032 105.943 108.800 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 0.527 175.637 174.900 0.349 0.000 1.142 408 G CA -0.290 45.031 45.100 0.368 0.000 0.759 408 G HN 0.273 nan 8.290 nan 0.000 0.550 409 H N 2.034 121.242 119.070 0.230 0.000 2.815 409 H HA 0.092 4.648 4.556 -0.000 0.000 0.350 409 H C -1.045 174.253 175.328 -0.050 0.000 1.080 409 H CA -1.168 54.889 56.048 0.016 0.000 1.433 409 H CB 2.012 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 0.696 178.259 177.300 0.438 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 0.412 121.922 121.300 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 0.489 57.919 57.345 0.141 0.000 1.759 411 W CB -0.681 28.843 29.460 0.107 0.000 1.093 411 W HN 0.072 nan 8.180 nan 0.000 0.648 412 G N 0.691 109.638 108.800 0.245 0.000 2.483 412 G HA2 -0.274 3.687 3.960 0.000 0.000 0.521 412 G HA3 -0.274 3.687 3.960 0.000 0.000 0.521 412 G C 0.620 175.530 174.900 0.017 0.000 1.278 412 G CA -0.203 44.961 45.100 0.107 0.000 0.965 412 G HN -0.042 nan 8.290 nan 0.000 0.504 413 N N 0.030 118.726 118.700 -0.008 0.000 2.106 413 N HA 0.040 4.780 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 1.613 124.369 122.820 -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 1.542 53.505 52.037 -0.124 0.000 0.623 414 A CB -1.602 17.330 19.000 -0.114 0.000 0.826 414 A HN 0.228 nan 8.150 nan 0.000 0.444 415 P HA -0.051 nan 4.420 nan 0.000 0.218 415 P C 1.626 178.589 177.300 -0.562 0.000 1.149 415 P CA 1.547 64.484 63.100 -0.272 0.000 0.817 415 P CB -0.278 31.323 31.700 -0.165 0.000 0.785 416 G N 0.045 108.526 108.800 -0.531 0.000 2.408 416 G HA2 -0.210 3.750 3.960 0.000 0.000 0.217 416 G HA3 -0.210 3.750 3.960 0.000 0.000 0.217 416 G C 1.588 176.395 174.900 -0.154 0.000 1.150 416 G CA 0.837 45.743 45.100 -0.324 0.000 0.776 416 G HN 0.299 nan 8.290 nan 0.000 0.542 417 A N 0.215 122.951 122.820 -0.141 0.000 1.897 417 A HA 0.145 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 -0.614 18.333 19.000 -0.089 0.000 0.821 417 A HN 0.221 nan 8.150 nan 0.000 0.443 418 V N 0.197 120.039 119.914 -0.120 0.000 2.332 418 V HA -0.304 3.816 4.120 0.000 0.000 0.248 418 V C 3.050 179.076 176.094 -0.114 0.000 1.055 418 V CA 1.983 64.228 62.300 -0.092 0.000 1.038 418 V CB -1.344 30.437 31.823 -0.070 0.000 0.651 418 V HN 0.621 nan 8.190 nan 0.000 0.450 419 A N 0.633 123.364 122.820 -0.148 0.000 1.865 419 A HA -0.317 4.003 4.320 0.000 0.000 0.217 419 A C 2.037 179.508 177.584 -0.190 0.000 1.191 419 A CA 2.604 54.549 52.037 -0.153 0.000 0.623 419 A CB -0.910 18.055 19.000 -0.058 0.000 0.826 419 A HN 0.691 nan 8.150 nan 0.000 0.444 420 N N -1.276 117.289 118.700 -0.225 0.000 2.188 420 N HA -0.145 4.595 4.740 0.000 0.000 0.184 420 N C 1.927 177.321 175.510 -0.192 0.000 1.018 420 N CA 1.339 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 0.442 nan 8.380 nan 0.000 0.426 421 R N 1.034 121.463 120.500 -0.117 0.000 2.075 421 R HA 0.023 4.363 4.340 0.000 0.000 0.232 421 R C 1.671 177.955 176.300 -0.026 0.000 1.126 421 R CA 0.991 57.059 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 0.030 nan 8.270 nan 0.000 0.435 422 V N 0.719 120.611 119.914 -0.037 0.000 2.307 422 V HA -0.142 3.978 4.120 0.000 0.000 0.245 422 V C 2.323 178.398 176.094 -0.032 0.000 1.045 422 V CA 1.814 64.121 62.300 0.011 0.000 1.024 422 V CB -0.853 30.938 31.823 -0.053 0.000 0.651 422 V HN 0.528 nan 8.190 nan 0.000 0.449 423 A N -0.205 122.543 122.820 -0.120 0.000 1.908 423 A HA -0.240 4.080 4.320 0.000 0.000 0.218 423 A C 2.178 179.735 177.584 -0.045 0.000 1.181 423 A CA 2.329 54.290 52.037 -0.128 0.000 0.627 423 A CB -0.580 18.302 19.000 -0.198 0.000 0.818 423 A HN 0.474 nan 8.150 nan 0.000 0.445 424 L N -0.182 121.025 121.223 -0.027 0.000 2.027 424 L HA -0.100 4.240 4.340 0.000 0.000 0.206 424 L C 2.219 179.115 176.870 0.042 0.000 1.074 424 L CA 2.311 57.164 54.840 0.023 0.000 0.745 424 L CB -0.533 41.546 42.059 0.033 0.000 0.898 424 L HN 0.491 nan 8.230 nan 0.000 0.433 425 E N -0.365 119.864 120.200 0.048 0.000 2.204 425 E HA -0.199 4.151 4.350 0.000 0.000 0.195 425 E C 2.122 178.773 176.600 0.085 0.000 0.990 425 E CA 0.903 57.342 56.400 0.065 0.000 0.821 425 E CB -0.233 29.510 29.700 0.071 0.000 0.750 425 E HN 0.675 nan 8.360 nan 0.000 0.477 426 A N 0.769 123.650 122.820 0.103 0.000 1.902 426 A HA -0.186 4.134 4.320 0.000 0.000 0.217 426 A C 2.410 180.044 177.584 0.083 0.000 1.181 426 A CA 1.136 53.247 52.037 0.123 0.000 0.623 426 A CB -0.739 18.334 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 2.725 177.751 174.990 0.059 0.000 1.295 427 C CA 0.858 59.912 59.018 0.061 0.000 1.738 427 C CB -1.195 26.582 27.740 0.061 0.000 1.987 427 C HN 0.445 nan 8.230 nan 0.000 0.492 428 V N 0.636 120.585 119.914 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 64.568 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 -0.179 119.651 119.800 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 2.221 58.049 55.803 0.043 0.000 0.846 429 Q CB -0.312 28.453 28.738 0.044 0.000 0.902 429 Q HN 0.622 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 4.063 4.320 0.000 0.000 0.217 430 A C 2.162 179.772 177.584 0.043 0.000 1.191 430 A CA 1.745 53.812 52.037 0.050 0.000 0.623 430 A CB -0.846 18.189 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 1.978 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 0.724 nan 8.270 nan 0.000 0.434 432 N N 0.004 118.724 118.700 0.033 0.000 2.289 432 N HA -0.153 4.587 4.740 0.000 0.000 0.184 432 N C 1.103 176.627 175.510 0.023 0.000 1.016 432 N CA 1.035 54.101 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 -0.565 119.650 120.200 0.025 0.000 2.481 433 E HA 0.028 4.378 4.350 0.000 0.000 0.195 433 E C 1.052 177.665 176.600 0.021 0.000 1.047 433 E CA 0.188 56.601 56.400 0.022 0.000 0.867 433 E CB 0.356 30.070 29.700 0.023 0.000 0.858 433 E HN 0.470 nan 8.360 nan 0.000 0.513 434 G N 1.451 110.265 108.800 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 0.269 175.183 174.900 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 -0.119 56.001 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 3.044 123.464 120.400 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 53.842 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 2.955 124.203 121.223 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 56.086 54.840 0.051 0.000 0.765 437 L CB -0.310 41.780 42.059 0.053 0.000 0.904 437 L HN 0.409 nan 8.230 nan 0.000 0.437 438 A N 0.183 123.027 122.820 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 -0.509 120.012 120.500 0.035 0.000 2.105 439 R HA 0.061 4.401 4.340 0.000 0.000 0.214 439 R C 1.182 177.507 176.300 0.043 0.000 1.091 439 R CA 1.101 57.221 56.100 0.033 0.000 1.007 439 R CB -0.036 30.279 30.300 0.026 0.000 0.912 439 R HN 0.571 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 1.414 178.061 176.600 0.078 0.000 1.054 440 E CA 0.085 56.520 56.400 0.058 0.000 0.874 440 E CB 0.587 30.319 29.700 0.053 0.000 1.011 440 E HN 0.386 nan 8.360 nan 0.000 0.474 441 G N 2.710 111.561 108.800 0.085 0.000 2.586 441 G HA2 -0.371 3.589 3.960 0.000 0.000 0.218 441 G HA3 -0.371 3.589 3.960 0.000 0.000 0.218 441 G C 1.320 176.317 174.900 0.163 0.000 1.216 441 G CA 1.194 46.362 45.100 0.115 0.000 0.786 441 G HN 0.292 nan 8.290 nan 0.000 0.583 442 N N -0.312 118.500 118.700 0.186 0.000 2.309 442 N HA -0.054 4.686 4.740 0.000 0.000 0.182 442 N C 2.166 177.820 175.510 0.239 0.000 1.018 442 N CA 1.181 54.408 53.050 0.296 0.000 0.876 442 N CB -0.088 38.510 38.487 0.184 0.000 0.972 442 N HN 0.271 nan 8.380 nan 0.000 0.434 443 T N 1.165 115.803 114.554 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 0.655 62.820 62.100 0.108 0.000 1.140 443 T CB -0.097 68.818 68.868 0.077 0.000 0.870 443 T HN 0.164 nan 8.240 nan 0.000 0.445 444 I N 0.896 121.521 120.570 0.091 0.000 2.179 444 I HA -0.154 4.016 4.170 0.000 0.000 0.242 444 I C 2.177 178.313 176.117 0.032 0.000 1.088 444 I CA 0.947 62.290 61.300 0.071 0.000 1.357 444 I CB -0.353 37.689 38.000 0.070 0.000 1.051 444 I HN 0.178 nan 8.210 nan 0.000 0.409 445 I N 0.471 121.048 120.570 0.013 0.000 2.202 445 I HA -0.251 3.919 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 1.454 62.667 61.300 -0.144 0.000 1.368 445 I CB -1.230 36.599 38.000 -0.286 0.000 1.058 445 I HN 0.213 nan 8.210 nan 0.000 0.410 446 R N 1.408 121.915 120.500 0.012 0.000 2.091 446 R HA -0.180 4.160 4.340 0.000 0.000 0.238 446 R C 2.140 178.432 176.300 -0.013 0.000 1.136 446 R CA 1.556 57.686 56.100 0.050 0.000 0.959 446 R CB -0.286 30.106 30.300 0.154 0.000 0.856 446 R HN 0.424 nan 8.270 nan 0.000 0.437 447 E N -0.687 119.523 120.200 0.016 0.000 2.077 447 E HA -0.169 4.181 4.350 0.000 0.000 0.193 447 E C 1.902 178.491 176.600 -0.018 0.000 0.989 447 E CA 1.222 57.650 56.400 0.046 0.000 0.800 447 E CB -0.192 29.572 29.700 0.106 0.000 0.746 447 E HN 0.483 nan 8.360 nan 0.000 0.452 448 A N 1.314 124.054 122.820 -0.133 0.000 1.969 448 A HA -0.171 4.149 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 1.872 53.593 52.037 -0.527 0.000 0.635 448 A CB -1.051 17.704 19.000 -0.408 0.000 0.810 448 A HN 0.402 nan 8.150 nan 0.000 0.445 449 T N -2.311 111.966 114.554 -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 0.778 121.032 120.400 -0.243 0.000 2.288 450 K HA 0.055 4.375 4.320 0.000 0.000 0.201 450 K C 1.707 178.318 176.600 0.018 0.000 1.048 450 K CA 0.835 57.087 56.287 -0.058 0.000 0.956 450 K CB -0.241 32.301 32.500 0.069 0.000 0.746 450 K HN 0.886 nan 8.250 nan 0.000 0.461 451 W N -0.841 120.457 121.300 -0.003 0.000 2.714 451 W HA 0.390 5.050 4.660 0.000 0.000 0.353 451 W C -0.137 176.383 176.519 0.003 0.000 0.999 451 W CA -0.517 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 2.712 118.141 115.700 -0.452 0.000 2.622 452 S HA 0.401 4.871 4.470 0.000 0.000 0.283 452 S C -1.636 172.837 174.600 -0.212 0.000 1.197 452 S CA -1.205 56.781 58.200 -0.357 0.000 1.146 452 S CB 1.283 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 0.906 178.119 177.300 -0.144 0.000 1.148 453 P CA 1.032 64.151 63.100 0.033 0.000 0.822 453 P CB 0.243 32.100 31.700 0.261 0.000 0.784 454 E N -0.695 119.424 120.200 -0.134 0.000 2.051 454 E HA -0.153 4.197 4.350 0.000 0.000 0.192 454 E C 1.835 178.277 176.600 -0.264 0.000 0.991 454 E CA 0.793 57.027 56.400 -0.277 0.000 0.799 454 E CB -1.248 28.373 29.700 -0.132 0.000 0.748 454 E HN 0.102 nan 8.360 nan 0.000 0.449 455 L N 0.624 121.681 121.223 -0.278 0.000 2.046 455 L HA -0.057 4.283 4.340 0.000 0.000 0.208 455 L C 2.047 178.710 176.870 -0.345 0.000 1.077 455 L CA 2.039 56.690 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 -0.225 122.399 122.820 -0.327 0.000 1.892 456 A HA -0.242 4.078 4.320 0.000 0.000 0.218 456 A C 2.464 179.860 177.584 -0.313 0.000 1.188 456 A CA 2.433 54.306 52.037 -0.273 0.000 0.631 456 A CB -1.345 17.541 19.000 -0.190 0.000 0.822 456 A HN 0.600 nan 8.150 nan 0.000 0.447 457 A N -0.649 121.899 122.820 -0.452 0.000 1.972 457 A HA 0.206 4.526 4.320 0.000 0.000 0.219 457 A C 2.447 179.611 177.584 -0.701 0.000 1.169 457 A CA 2.007 53.685 52.037 -0.599 0.000 0.635 457 A CB -0.843 17.551 19.000 -1.010 0.000 0.810 457 A HN 1.092 nan 8.150 nan 0.000 0.446 458 A N -1.190 121.228 122.820 -0.670 0.000 1.929 458 A HA -0.095 4.225 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 53.104 52.037 -0.596 0.000 0.628 458 A CB -1.185 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 -0.287 0.000 2.413 459 C HA -0.131 4.329 4.460 0.000 0.000 0.276 459 C C 2.661 177.708 174.990 0.096 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 1.595 57.920 56.400 -0.125 0.000 0.801 460 E CB -0.235 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 0.256 119.892 119.914 -0.462 0.000 2.343 461 V HA -0.204 3.916 4.120 0.000 0.000 0.247 461 V C 1.399 177.131 176.094 -0.603 0.000 1.051 461 V CA 1.348 63.229 62.300 -0.699 0.000 1.036 461 V CB -0.342 30.692 31.823 -1.316 0.000 0.654 461 V HN 0.442 nan 8.190 nan 0.000 0.451 462 W N -0.370 120.857 121.300 -0.123 0.000 3.005 462 W HA 0.332 4.992 4.660 -0.000 0.000 0.374 462 W C 1.898 178.337 176.519 -0.134 0.000 1.076 462 W CA -0.785 56.410 57.345 -0.250 0.000 1.794 462 W CB -0.333 28.741 29.460 -0.644 0.000 1.113 462 W HN 0.279 nan 8.180 nan 0.000 0.584 463 K N 1.519 122.007 120.400 0.146 0.000 2.107 463 K HA -0.227 4.093 4.320 0.000 0.000 0.211 463 K C 1.136 177.608 176.600 -0.213 0.000 1.049 463 K CA 1.906 58.133 56.287 -0.099 0.000 0.927 463 K CB 0.217 32.664 32.500 -0.089 0.000 0.714 463 K HN -0.117 nan 8.250 nan 0.000 0.452 464 E N 0.419 120.552 120.200 -0.111 0.000 2.444 464 E HA 0.046 4.396 4.350 0.000 0.000 0.191 464 E C -0.241 176.311 176.600 -0.079 0.000 1.041 464 E CA 0.040 56.372 56.400 -0.113 0.000 0.883 464 E CB 0.378 30.020 29.700 -0.097 0.000 1.024 464 E HN 0.254 nan 8.360 nan 0.000 0.470 465 I N 1.676 122.231 120.570 -0.024 0.000 2.325 465 I HA 0.251 4.421 4.170 0.000 0.000 0.291 465 I C 0.417 176.546 176.117 0.021 0.000 1.019 465 I CA -0.185 61.098 61.300 -0.029 0.000 1.302 465 I CB 0.349 38.377 38.000 0.047 0.000 1.401 465 I HN -0.270 nan 8.210 nan 0.000 0.485 466 K N 5.428 125.702 120.400 -0.209 0.000 2.482 466 K HA 0.627 4.947 4.320 0.000 0.000 0.257 466 K C -1.580 174.814 176.600 -0.345 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 -0.477 175.448 175.800 0.209 0.000 1.118 467 F CA -0.564 57.584 58.000 0.247 0.000 1.037 467 F CB 1.629 40.780 39.000 0.252 0.000 1.276 467 F HN 0.265 nan 8.300 nan 0.000 0.446 468 E N 3.953 124.247 120.200 0.157 0.000 2.255 468 E HA 0.582 4.932 4.350 0.000 0.000 0.256 468 E C -1.372 175.117 176.600 -0.184 0.000 0.887 468 E CA -0.542 55.891 56.400 0.054 0.000 0.782 468 E CB 2.015 31.689 29.700 -0.043 0.000 1.214 468 E HN 0.307 nan 8.360 nan 0.000 0.417 469 F N 1.518 121.517 119.950 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 0.821 39.863 39.000 0.070 0.000 1.345 469 F HN 0.267 nan 8.300 nan 0.000 0.468 470 P HA 0.428 nan 4.420 nan 0.000 0.271 470 P C -1.129 176.257 177.300 0.145 0.000 1.218 470 P CA -0.326 62.864 63.100 0.150 0.000 0.780 470 P CB 0.873 32.642 31.700 0.115 0.000 0.901 471 A N 2.693 125.578 122.820 0.109 0.000 2.316 471 A HA 0.411 4.731 4.320 0.000 0.000 0.284 471 A C 1.214 178.846 177.584 0.080 0.000 1.115 471 A CA -0.543 51.551 52.037 0.094 0.000 0.812 471 A CB 0.408 19.463 19.000 0.092 0.000 1.064 471 A HN 0.487 nan 8.150 nan 0.000 0.489 472 M N 0.319 119.961 119.600 0.070 0.000 2.466 472 M HA 0.085 4.565 4.480 0.000 0.000 0.265 472 M C 0.174 176.523 176.300 0.082 0.000 1.122 472 M CA 0.872 56.211 55.300 0.064 0.000 1.157 472 M CB -1.121 31.506 32.600 0.045 0.000 1.352 472 M HN 0.833 nan 8.290 nan 0.000 0.464 473 D N 2.052 122.513 120.400 0.102 0.000 2.427 473 D HA 0.308 4.948 4.640 0.000 0.000 0.226 473 D C -0.654 175.738 176.300 0.154 0.000 1.076 473 D CA -0.052 54.035 54.000 0.146 0.000 0.849 473 D CB 1.041 41.947 40.800 0.177 0.000 1.052 473 D HN 0.157 nan 8.370 nan 0.000 0.515 474 T N -0.187 114.445 114.554 0.129 0.000 2.916 474 T HA 0.540 4.890 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 0.981 69.894 68.868 0.075 0.000 1.152 474 T HN 0.097 nan 8.240 nan 0.000 0.510 475 V N 0.000 119.956 119.914 0.069 0.000 2.409 475 V HA 0.000 4.120 4.120 0.000 0.000 0.244 475 V CA 0.000 62.329 62.300 0.048 0.000 1.235 475 V CB 0.000 31.832 31.823 0.015 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556