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_R DATA FIRST_RESID 9 DATA SEQUENCE ASVGFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE DMMKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT TLSHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE MHFRVLAKAL RLSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDYTEKDR DATA SEQUENCE SRGIYFTQSW VSTPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV QARNEGRDLA REGNTIIREA TKWSPELAAA DATA SEQUENCE CEVWKEIKFE FPAMDTV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.599 177.584 0.024 0.000 1.274 9 A CA 0.000 52.047 52.037 0.017 0.000 0.836 9 A CB 0.000 19.009 19.000 0.014 0.000 0.831 10 S N 0.728 116.447 115.700 0.032 0.000 3.494 10 S HA -0.011 4.459 4.470 0.000 0.000 0.161 10 S C 0.556 175.185 174.600 0.049 0.000 0.413 10 S CA 0.465 58.692 58.200 0.046 0.000 1.399 10 S CB -1.810 61.419 63.200 0.048 0.000 1.004 10 S HN 2.202 nan 8.310 nan 0.000 0.280 11 V N 3.251 123.193 119.914 0.046 0.000 2.999 11 V HA 0.516 4.636 4.120 0.000 0.000 0.307 11 V C 1.449 177.585 176.094 0.070 0.000 1.084 11 V CA 0.550 62.876 62.300 0.045 0.000 1.155 11 V CB 0.479 32.324 31.823 0.037 0.000 0.975 11 V HN 1.064 nan 8.190 nan 0.000 0.490 12 G N 4.028 112.867 108.800 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 -0.752 174.245 174.900 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 -0.189 175.627 175.800 0.028 0.000 1.113 13 F CA -1.724 56.306 58.000 0.051 0.000 1.022 13 F CB 2.130 41.187 39.000 0.094 0.000 1.128 13 F HN 0.333 nan 8.300 nan 0.000 0.466 14 K N 5.424 125.501 120.400 -0.538 0.000 2.613 14 K HA 0.712 5.032 4.320 0.000 0.000 0.248 14 K C -1.135 175.039 176.600 -0.709 0.000 0.959 14 K CA -0.378 55.558 56.287 -0.586 0.000 0.855 14 K CB 1.209 33.569 32.500 -0.234 0.000 1.143 14 K HN 0.827 nan 8.250 nan 0.000 0.437 15 A N 2.455 124.743 122.820 -0.886 0.000 2.429 15 A HA 0.628 4.948 4.320 0.000 0.000 0.242 15 A C 0.561 178.012 177.584 -0.222 0.000 1.088 15 A CA 0.854 52.611 52.037 -0.468 0.000 0.784 15 A CB -0.458 18.374 19.000 -0.280 0.000 1.038 15 A HN 1.443 nan 8.150 nan 0.000 0.501 16 G N -1.933 106.788 108.800 -0.133 0.000 2.428 16 G HA2 0.443 4.403 3.960 0.000 0.000 0.681 16 G HA3 0.443 4.403 3.960 0.000 0.000 0.681 16 G C -0.567 174.270 174.900 -0.106 0.000 1.340 16 G CA -0.155 44.886 45.100 -0.098 0.000 0.915 16 G HN 2.254 nan 8.290 nan 0.000 0.645 17 V N 0.035 119.907 119.914 -0.069 0.000 2.509 17 V HA 0.938 5.058 4.120 0.000 0.000 0.284 17 V C 0.209 176.260 176.094 -0.072 0.000 1.047 17 V CA 0.381 62.634 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 2.928 123.264 120.400 -0.106 0.000 2.480 18 K HA 0.568 4.888 4.320 0.000 0.000 0.258 18 K C -1.234 175.287 176.600 -0.133 0.000 0.990 18 K CA -0.932 55.303 56.287 -0.085 0.000 0.857 18 K CB 1.671 34.140 32.500 -0.052 0.000 1.384 18 K HN 0.514 nan 8.250 nan 0.000 0.446 19 D N 1.083 121.435 120.400 -0.080 0.000 2.472 19 D HA -0.004 4.636 4.640 0.000 0.000 0.237 19 D C 0.579 176.876 176.300 -0.005 0.000 1.141 19 D CA 0.282 54.242 54.000 -0.066 0.000 0.875 19 D CB 0.202 41.000 40.800 -0.003 0.000 1.192 19 D HN 0.438 nan 8.370 nan 0.000 0.450 20 Y N 1.294 121.630 120.300 0.060 0.000 2.293 20 Y HA -0.180 4.370 4.550 0.000 0.000 0.291 20 Y C 2.241 178.251 175.900 0.185 0.000 1.137 20 Y CA 1.102 59.285 58.100 0.139 0.000 1.202 20 Y CB -0.301 38.178 38.460 0.032 0.000 0.990 20 Y HN 0.464 nan 8.280 nan 0.000 0.537 21 K N 0.290 120.840 120.400 0.250 0.000 2.211 21 K HA -0.146 4.174 4.320 0.000 0.000 0.204 21 K C 1.618 178.331 176.600 0.189 0.000 1.047 21 K CA 1.623 58.039 56.287 0.215 0.000 0.935 21 K CB -0.723 31.850 32.500 0.122 0.000 0.728 21 K HN 0.317 nan 8.250 nan 0.000 0.452 22 L N 1.054 122.356 121.223 0.131 0.000 2.131 22 L HA -0.113 4.227 4.340 0.000 0.000 0.210 22 L C 1.595 178.483 176.870 0.030 0.000 1.092 22 L CA 1.473 56.355 54.840 0.072 0.000 0.759 22 L CB -0.560 41.524 42.059 0.041 0.000 0.903 22 L HN 0.377 nan 8.230 nan 0.000 0.435 23 T N -3.081 111.486 114.554 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 0.155 62.125 62.100 -0.217 0.000 1.026 23 T CB 0.170 68.816 68.868 -0.369 0.000 1.032 23 T HN 0.142 nan 8.240 nan 0.000 0.485 24 Y N -0.164 120.195 120.300 0.099 0.000 2.467 24 Y HA 0.413 4.963 4.550 0.000 0.000 0.250 24 Y C -0.001 175.974 175.900 0.125 0.000 1.155 24 Y CA -1.110 57.038 58.100 0.080 0.000 1.249 24 Y CB 0.412 38.915 38.460 0.072 0.000 1.146 24 Y HN 0.154 nan 8.280 nan 0.000 0.524 25 Y N 0.917 121.277 120.300 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 -1.344 56.798 58.100 0.069 0.000 1.159 25 Y CB 1.181 39.670 38.460 0.047 0.000 1.157 25 Y HN -0.170 nan 8.280 nan 0.000 0.486 26 T N 9.578 123.972 114.554 -0.265 0.000 3.418 26 T HA 0.177 4.527 4.350 0.000 0.000 0.315 26 T C -2.038 172.554 174.700 -0.181 0.000 1.447 26 T CA -0.840 61.133 62.100 -0.212 0.000 1.641 26 T CB 0.772 69.588 68.868 -0.087 0.000 0.904 26 T HN 0.497 nan 8.240 nan 0.000 0.640 27 P HA -0.037 nan 4.420 nan 0.000 0.228 27 P C 0.868 178.178 177.300 0.017 0.000 1.151 27 P CA 0.897 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 -1.404 118.796 120.200 0.000 0.000 2.447 28 E HA -0.035 4.315 4.350 0.000 0.000 0.195 28 E C 0.431 177.072 176.600 0.068 0.000 1.028 28 E CA -0.384 56.035 56.400 0.031 0.000 0.876 28 E CB -0.408 29.294 29.700 0.003 0.000 0.885 28 E HN 0.331 nan 8.360 nan 0.000 0.500 29 Y N 2.702 122.986 120.300 -0.027 0.000 2.712 29 Y HA -0.079 4.471 4.550 0.000 0.000 0.333 29 Y C 0.195 176.032 175.900 -0.106 0.000 1.225 29 Y CA 0.339 58.403 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 3.746 123.501 120.200 -0.741 0.000 2.156 30 E HA 0.191 4.541 4.350 0.000 0.000 0.279 30 E C -0.430 175.497 176.600 -1.121 0.000 0.965 30 E CA -0.709 55.301 56.400 -0.649 0.000 0.789 30 E CB 0.847 30.304 29.700 -0.405 0.000 1.098 30 E HN 0.720 nan 8.360 nan 0.000 0.397 31 T N 1.010 115.098 114.554 -0.777 0.000 2.918 31 T HA 0.299 4.650 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 61.192 62.100 -0.571 0.000 1.114 31 T CB 0.474 69.122 68.868 -0.367 0.000 0.965 31 T HN 0.243 nan 8.240 nan 0.000 0.540 32 L N 1.876 122.989 121.223 -0.184 0.000 2.399 32 L HA 0.341 4.681 4.340 0.000 0.000 0.265 32 L C 1.115 177.950 176.870 -0.058 0.000 1.089 32 L CA -0.975 53.804 54.840 -0.102 0.000 0.802 32 L CB 0.609 42.650 42.059 -0.029 0.000 1.180 32 L HN 0.675 nan 8.230 nan 0.000 0.454 33 D N -0.362 120.011 120.400 -0.044 0.000 2.371 33 D HA -0.077 4.563 4.640 0.000 0.000 0.221 33 D C 1.602 177.896 176.300 -0.010 0.000 0.986 33 D CA 1.022 55.005 54.000 -0.028 0.000 0.899 33 D CB 0.163 40.951 40.800 -0.020 0.000 0.902 33 D HN 0.707 nan 8.370 nan 0.000 0.530 34 T N -2.800 111.756 114.554 0.004 0.000 3.069 34 T HA 0.066 4.416 4.350 0.000 0.000 0.252 34 T C 0.502 175.224 174.700 0.036 0.000 1.053 34 T CA -0.526 61.589 62.100 0.026 0.000 0.964 34 T CB 0.544 69.434 68.868 0.038 0.000 1.005 34 T HN -0.254 nan 8.240 nan 0.000 0.532 35 D N 1.517 121.938 120.400 0.036 0.000 2.345 35 D HA 0.395 5.035 4.640 0.000 0.000 0.247 35 D C -0.374 175.941 176.300 0.026 0.000 1.108 35 D CA -0.529 53.515 54.000 0.073 0.000 0.894 35 D CB 0.841 41.694 40.800 0.089 0.000 1.203 35 D HN 0.161 nan 8.370 nan 0.000 0.430 36 I N 2.413 123.026 120.570 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 -0.154 61.123 61.300 -0.039 0.000 1.308 36 I CB 0.636 38.515 38.000 -0.201 0.000 1.400 36 I HN 0.082 nan 8.210 nan 0.000 0.488 37 L N 6.225 127.390 121.223 -0.097 0.000 2.331 37 L HA 0.883 5.223 4.340 0.000 0.000 0.275 37 L C -0.089 176.709 176.870 -0.121 0.000 1.022 37 L CA -0.770 54.023 54.840 -0.079 0.000 0.812 37 L CB 1.577 43.419 42.059 -0.362 0.000 1.257 37 L HN 0.636 nan 8.230 nan 0.000 0.435 38 A N 1.874 124.812 122.820 0.198 0.000 2.393 38 A HA 0.860 5.180 4.320 0.000 0.000 0.306 38 A C -0.792 176.907 177.584 0.193 0.000 1.050 38 A CA -0.540 51.581 52.037 0.140 0.000 0.724 38 A CB 1.769 20.834 19.000 0.110 0.000 1.248 38 A HN 0.739 nan 8.150 nan 0.000 0.424 39 A N 1.903 124.717 122.820 -0.011 0.000 2.277 39 A HA 0.713 5.033 4.320 0.000 0.000 0.318 39 A C -1.115 176.192 177.584 -0.461 0.000 1.339 39 A CA -0.262 51.556 52.037 -0.366 0.000 0.875 39 A CB -0.253 18.376 19.000 -0.618 0.000 1.158 39 A HN 0.607 nan 8.150 nan 0.000 0.514 40 F N 1.190 120.990 119.950 -0.250 0.000 2.421 40 F HA 0.496 5.023 4.527 0.000 0.000 0.337 40 F C 0.998 176.678 175.800 -0.200 0.000 1.105 40 F CA -0.331 57.553 58.000 -0.193 0.000 1.049 40 F CB 1.655 40.562 39.000 -0.153 0.000 1.139 40 F HN 0.581 nan 8.300 nan 0.000 0.479 41 R N 3.615 124.136 120.500 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 -0.272 55.834 56.100 0.011 0.000 0.935 41 R CB 0.358 30.660 30.300 0.004 0.000 1.121 41 R HN 0.540 nan 8.270 nan 0.000 0.486 42 V N 3.148 123.083 119.914 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 6.328 122.052 115.700 0.040 0.000 2.532 43 S HA 0.449 4.919 4.470 0.000 0.000 0.256 43 S C -2.601 172.029 174.600 0.049 0.000 1.298 43 S CA -0.977 57.255 58.200 0.054 0.000 1.166 43 S CB 1.179 64.404 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 -0.198 177.116 177.300 0.025 0.000 1.237 44 P CA -0.599 62.516 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 1.215 121.018 119.800 0.005 0.000 2.368 45 Q HA 0.242 4.582 4.340 0.000 0.000 0.237 45 Q C -2.059 173.945 176.000 0.007 0.000 0.987 45 Q CA -1.534 54.274 55.803 0.009 0.000 0.896 45 Q CB -0.721 28.019 28.738 0.003 0.000 1.241 45 Q HN 0.318 nan 8.270 nan 0.000 0.485 46 P HA -0.001 nan 4.420 nan 0.000 0.265 46 P C 0.441 177.741 177.300 -0.000 0.000 1.193 46 P CA 1.078 64.184 63.100 0.009 0.000 0.765 46 P CB 0.344 32.049 31.700 0.008 0.000 0.823 47 G N 1.176 109.975 108.800 -0.003 0.000 2.195 47 G HA2 -0.200 3.761 3.960 0.000 0.000 0.246 47 G HA3 -0.200 3.761 3.960 0.000 0.000 0.246 47 G C -0.046 174.840 174.900 -0.025 0.000 0.984 47 G CA -0.165 44.928 45.100 -0.011 0.000 0.633 47 G HN 0.530 nan 8.290 nan 0.000 0.525 48 V N 3.701 123.596 119.914 -0.032 0.000 2.347 48 V HA 0.523 4.643 4.120 0.000 0.000 0.280 48 V C -1.511 174.535 176.094 -0.080 0.000 1.021 48 V CA -1.433 60.833 62.300 -0.057 0.000 0.847 48 V CB 1.743 33.528 31.823 -0.064 0.000 0.990 48 V HN 0.244 nan 8.190 nan 0.000 0.444 49 P HA 0.287 nan 4.420 nan 0.000 0.278 49 P C -2.352 174.785 177.300 -0.271 0.000 1.238 49 P CA -1.754 61.247 63.100 -0.164 0.000 0.794 49 P CB 0.975 32.589 31.700 -0.144 0.000 0.955 50 P HA -0.245 nan 4.420 nan 0.000 0.217 50 P C 1.271 178.277 177.300 -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 30.994 31.700 -1.085 0.000 0.793 51 E N -0.780 119.107 120.200 -0.522 0.000 2.130 51 E HA -0.226 4.124 4.350 0.000 0.000 0.196 51 E C 2.023 178.393 176.600 -0.384 0.000 0.998 51 E CA 1.426 57.430 56.400 -0.661 0.000 0.806 51 E CB -0.641 28.600 29.700 -0.765 0.000 0.738 51 E HN 0.366 nan 8.360 nan 0.000 0.459 52 E N 0.173 120.221 120.200 -0.253 0.000 2.112 52 E HA 0.006 4.356 4.350 0.000 0.000 0.190 52 E C 1.848 178.342 176.600 -0.177 0.000 0.979 52 E CA 1.057 57.377 56.400 -0.133 0.000 0.814 52 E CB -0.239 29.412 29.700 -0.082 0.000 0.762 52 E HN 0.207 nan 8.360 nan 0.000 0.460 53 A N 0.457 123.141 122.820 -0.227 0.000 1.865 53 A HA -0.075 4.245 4.320 0.000 0.000 0.217 53 A C 2.486 179.902 177.584 -0.279 0.000 1.191 53 A CA 1.911 53.796 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 -0.009 3.952 3.960 0.000 0.000 0.217 54 G HA3 -0.009 3.952 3.960 0.000 0.000 0.217 54 G C 1.740 176.537 174.900 -0.172 0.000 1.158 54 G CA 1.554 46.528 45.100 -0.210 0.000 0.771 54 G HN 0.859 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 4.606 4.320 0.000 0.000 0.218 55 A C 2.771 180.195 177.584 -0.267 0.000 1.175 55 A CA 2.156 54.179 52.037 -0.023 0.000 0.628 55 A CB -0.636 18.441 19.000 0.129 0.000 0.814 55 A HN 0.770 nan 8.150 nan 0.000 0.444 56 A N -0.690 121.856 122.820 -0.458 0.000 1.969 56 A HA 0.076 4.396 4.320 0.000 0.000 0.218 56 A C 2.194 179.425 177.584 -0.587 0.000 1.169 56 A CA 1.583 53.034 52.037 -0.976 0.000 0.635 56 A CB -0.704 17.674 19.000 -1.038 0.000 0.810 56 A HN 0.336 nan 8.150 nan 0.000 0.445 57 V N -0.212 119.473 119.914 -0.382 0.000 2.307 57 V HA -0.213 3.907 4.120 0.000 0.000 0.245 57 V C 3.050 179.015 176.094 -0.215 0.000 1.045 57 V CA 1.886 64.009 62.300 -0.295 0.000 1.024 57 V CB -1.112 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 -0.211 122.486 122.820 -0.205 0.000 1.933 58 A HA -0.070 4.250 4.320 0.000 0.000 0.218 58 A C 2.377 179.828 177.584 -0.222 0.000 1.175 58 A CA 2.000 53.967 52.037 -0.117 0.000 0.628 58 A CB -0.643 18.331 19.000 -0.043 0.000 0.814 58 A HN 0.553 nan 8.150 nan 0.000 0.444 59 A N -0.090 122.402 122.820 -0.547 0.000 1.841 59 A HA -0.111 4.209 4.320 0.000 0.000 0.214 59 A C 1.959 179.310 177.584 -0.389 0.000 1.195 59 A CA 1.941 53.411 52.037 -0.946 0.000 0.611 59 A CB -0.510 17.779 19.000 -1.184 0.000 0.835 59 A HN 0.500 nan 8.150 nan 0.000 0.443 60 E N 0.699 120.772 120.200 -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 1.235 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 1.158 175.881 174.600 0.205 0.000 0.962 61 S CA 0.243 58.534 58.200 0.152 0.000 0.921 61 S CB 0.176 63.548 63.200 0.286 0.000 0.789 61 S HN 0.257 nan 8.310 nan 0.000 0.497 62 S N 1.324 117.108 115.700 0.140 0.000 4.640 62 S HA 0.159 4.629 4.470 0.000 0.000 0.157 62 S C 1.335 175.980 174.600 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 0.510 nan 8.310 nan 0.000 0.751 63 T N -0.816 113.800 114.554 0.104 0.000 2.975 63 T HA 0.509 4.859 4.350 0.000 0.000 0.261 63 T C 0.806 175.570 174.700 0.107 0.000 0.984 63 T CA 0.394 62.556 62.100 0.103 0.000 0.911 63 T CB 0.216 69.190 68.868 0.176 0.000 1.127 63 T HN 0.745 nan 8.240 nan 0.000 0.514 64 G N 0.166 109.007 108.800 0.069 0.000 2.491 64 G HA2 0.581 4.541 3.960 0.000 0.000 0.327 64 G HA3 0.581 4.541 3.960 0.000 0.000 0.327 64 G C -0.946 174.023 174.900 0.114 0.000 1.189 64 G CA -0.365 44.803 45.100 0.113 0.000 0.956 64 G HN 0.256 nan 8.290 nan 0.000 0.491 65 T N -1.313 113.335 114.554 0.157 0.000 2.693 65 T HA 0.406 4.756 4.350 0.000 0.000 0.278 65 T C 0.683 175.528 174.700 0.242 0.000 0.994 65 T CA -0.484 61.732 62.100 0.192 0.000 1.033 65 T CB 0.832 69.750 68.868 0.084 0.000 1.342 65 T HN 0.672 nan 8.240 nan 0.000 0.538 66 W N 0.965 122.371 121.300 0.177 0.000 2.699 66 W HA 0.274 4.934 4.660 0.000 0.000 0.249 66 W C 0.245 176.754 176.519 -0.015 0.000 1.280 66 W CA 0.525 57.925 57.345 0.092 0.000 1.345 66 W CB -1.065 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 -0.500 173.988 174.700 -0.354 0.000 1.224 67 T CA -0.350 61.346 62.100 -0.673 0.000 1.012 67 T CB 1.680 69.815 68.868 -1.222 0.000 1.221 67 T HN -0.198 nan 8.240 nan 0.000 0.499 68 T N 2.726 117.179 114.554 -0.167 0.000 2.888 68 T HA 0.450 4.800 4.350 0.000 0.000 0.301 68 T C 0.282 175.063 174.700 0.135 0.000 1.001 68 T CA -0.267 61.842 62.100 0.014 0.000 1.147 68 T CB 0.042 68.957 68.868 0.078 0.000 0.931 68 T HN 0.726 nan 8.240 nan 0.000 0.541 69 V N 2.917 122.875 119.914 0.072 0.000 2.581 69 V HA 0.505 4.625 4.120 0.000 0.000 0.303 69 V C 1.124 177.097 176.094 -0.203 0.000 1.041 69 V CA -1.184 61.084 62.300 -0.054 0.000 0.907 69 V CB 1.428 33.128 31.823 -0.206 0.000 0.994 69 V HN 1.036 nan 8.190 nan 0.000 0.442 70 W N 2.227 123.118 121.300 -0.683 0.000 2.519 70 W HA -0.075 4.585 4.660 0.000 0.000 0.266 70 W C 1.407 177.703 176.519 -0.373 0.000 1.253 70 W CA 1.344 58.143 57.345 -0.910 0.000 1.274 70 W CB -1.686 26.965 29.460 -1.349 0.000 1.114 70 W HN 0.762 nan 8.180 nan 0.000 0.596 71 T N -1.103 112.834 114.554 -1.029 0.000 2.977 71 T HA -0.203 4.147 4.350 0.000 0.000 0.271 71 T C 1.105 175.596 174.700 -0.348 0.000 1.105 71 T CA 1.524 63.104 62.100 -0.867 0.000 1.116 71 T CB -0.590 67.689 68.868 -0.981 0.000 0.878 71 T HN -0.096 nan 8.240 nan 0.000 0.509 72 D N 1.972 122.239 120.400 -0.220 0.000 2.221 72 D HA -0.026 4.614 4.640 0.000 0.000 0.204 72 D C 2.270 178.551 176.300 -0.031 0.000 0.982 72 D CA 1.261 55.210 54.000 -0.085 0.000 0.857 72 D CB -0.812 39.976 40.800 -0.019 0.000 0.934 72 D HN 0.614 nan 8.370 nan 0.000 0.475 73 G N -0.131 108.664 108.800 -0.008 0.000 2.598 73 G HA2 -0.099 3.861 3.960 0.000 0.000 0.215 73 G HA3 -0.099 3.861 3.960 0.000 0.000 0.215 73 G C 1.533 176.458 174.900 0.042 0.000 1.131 73 G CA -0.060 45.066 45.100 0.044 0.000 0.785 73 G HN 0.279 nan 8.290 nan 0.000 0.539 74 L N 0.798 122.026 121.223 0.007 0.000 2.492 74 L HA 0.133 4.473 4.340 0.000 0.000 0.223 74 L C 1.327 178.206 176.870 0.014 0.000 1.132 74 L CA 0.512 55.361 54.840 0.016 0.000 0.850 74 L CB -0.320 41.729 42.059 -0.017 0.000 0.966 74 L HN 0.197 nan 8.230 nan 0.000 0.454 75 T N -3.153 111.411 114.554 0.017 0.000 2.718 75 T HA 0.244 4.594 4.350 0.000 0.000 0.267 75 T C -0.334 174.419 174.700 0.088 0.000 0.957 75 T CA -0.640 61.501 62.100 0.068 0.000 1.025 75 T CB 1.355 70.277 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 0.345 175.918 175.510 0.106 0.000 1.185 76 N CA -0.596 52.501 53.050 0.078 0.000 0.879 76 N CB 0.306 38.806 38.487 0.023 0.000 1.157 76 N HN 0.467 nan 8.380 nan 0.000 0.503 77 L N 2.224 123.503 121.223 0.094 0.000 2.127 77 L HA -0.085 4.256 4.340 0.000 0.000 0.211 77 L C 1.273 178.157 176.870 0.024 0.000 1.089 77 L CA 1.608 56.509 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 -1.027 119.354 120.400 -0.031 0.000 2.221 78 D HA -0.203 4.437 4.640 0.000 0.000 0.204 78 D C 2.140 178.379 176.300 -0.101 0.000 0.982 78 D CA 1.109 55.066 54.000 -0.071 0.000 0.857 78 D CB 0.033 40.797 40.800 -0.060 0.000 0.934 78 D HN 0.429 nan 8.370 nan 0.000 0.475 79 R N -1.017 119.382 120.500 -0.169 0.000 2.280 79 R HA 0.004 4.345 4.340 0.000 0.000 0.195 79 R C 0.755 176.810 176.300 -0.409 0.000 0.935 79 R CA 0.588 56.500 56.100 -0.314 0.000 1.033 79 R CB -0.081 29.956 30.300 -0.439 0.000 0.964 79 R HN 0.253 nan 8.270 nan 0.000 0.489 80 Y N 2.044 122.339 120.300 -0.008 0.000 2.483 80 Y HA 0.196 4.746 4.550 0.000 0.000 0.258 80 Y C 0.380 176.296 175.900 0.026 0.000 1.083 80 Y CA -0.565 57.535 58.100 -0.000 0.000 1.283 80 Y CB 0.363 38.818 38.460 -0.008 0.000 1.178 80 Y HN -0.010 nan 8.280 nan 0.000 0.515 81 K N 1.259 121.755 120.400 0.160 0.000 2.436 81 K HA 0.332 4.652 4.320 0.000 0.000 0.275 81 K C 0.550 177.224 176.600 0.123 0.000 0.999 81 K CA 0.169 56.568 56.287 0.186 0.000 0.980 81 K CB 0.627 33.181 32.500 0.090 0.000 0.919 81 K HN 0.132 nan 8.250 nan 0.000 0.484 82 G N 2.368 111.281 108.800 0.189 0.000 2.507 82 G HA2 0.362 4.322 3.960 0.000 0.000 0.271 82 G HA3 0.362 4.322 3.960 0.000 0.000 0.271 82 G C -0.785 174.131 174.900 0.027 0.000 1.189 82 G CA -1.056 44.035 45.100 -0.014 0.000 0.859 82 G HN 0.807 nan 8.290 nan 0.000 0.542 83 R N -0.108 120.330 120.500 -0.103 0.000 2.584 83 R HA 0.376 4.716 4.340 0.000 0.000 0.276 83 R C -1.624 174.733 176.300 0.096 0.000 1.046 83 R CA -0.743 55.357 56.100 0.001 0.000 0.906 83 R CB 0.655 30.855 30.300 -0.167 0.000 1.215 83 R HN 0.475 nan 8.270 nan 0.000 0.449 84 C N 5.116 124.517 119.300 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 -0.477 58.674 59.018 0.221 0.000 1.699 84 C CB -1.721 26.161 27.740 0.237 0.000 2.310 84 C HN 0.895 nan 8.230 nan 0.000 0.539 85 Y N 3.038 123.480 120.300 0.237 0.000 2.467 85 Y HA 0.476 5.026 4.550 0.000 0.000 0.250 85 Y C 0.605 176.705 175.900 0.333 0.000 1.155 85 Y CA -0.262 57.971 58.100 0.221 0.000 1.249 85 Y CB -0.485 38.142 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 -0.834 55.243 56.048 0.049 0.000 1.274 86 H CB 1.774 31.447 29.762 -0.147 0.000 1.954 86 H HN 0.136 nan 8.280 nan 0.000 0.531 87 I N 3.720 124.058 120.570 -0.388 0.000 2.533 87 I HA 0.210 4.380 4.170 0.000 0.000 0.290 87 I C -0.751 175.196 176.117 -0.282 0.000 1.056 87 I CA -0.533 60.651 61.300 -0.192 0.000 1.057 87 I CB 2.327 40.248 38.000 -0.131 0.000 1.240 87 I HN 0.544 nan 8.210 nan 0.000 0.423 88 E N 8.529 128.716 120.200 -0.022 0.000 2.263 88 E HA 0.501 4.851 4.350 0.000 0.000 0.268 88 E C -2.875 173.818 176.600 0.154 0.000 0.884 88 E CA -1.988 54.446 56.400 0.057 0.000 0.766 88 E CB 2.697 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 1.155 32.887 31.700 0.053 0.000 0.901 90 V N 2.919 122.745 119.914 -0.147 0.000 2.432 90 V HA 0.247 4.367 4.120 0.000 0.000 0.271 90 V C 1.064 177.111 176.094 -0.078 0.000 1.046 90 V CA -0.497 61.752 62.300 -0.085 0.000 0.945 90 V CB 0.360 32.125 31.823 -0.096 0.000 0.992 90 V HN 0.718 nan 8.190 nan 0.000 0.471 91 A N 4.473 127.272 122.820 -0.034 0.000 2.524 91 A HA 0.495 4.815 4.320 0.000 0.000 0.250 91 A C 1.542 179.108 177.584 -0.029 0.000 1.078 91 A CA 0.636 52.657 52.037 -0.027 0.000 0.761 91 A CB -0.495 18.499 19.000 -0.011 0.000 1.012 91 A HN 2.107 nan 8.150 nan 0.000 0.500 92 G N 1.380 110.161 108.800 -0.031 0.000 2.179 92 G HA2 -0.178 3.783 3.960 0.000 0.000 0.260 92 G HA3 -0.178 3.783 3.960 0.000 0.000 0.260 92 G C 0.039 174.918 174.900 -0.035 0.000 0.977 92 G CA 0.539 45.624 45.100 -0.025 0.000 0.641 92 G HN 0.797 nan 8.290 nan 0.000 0.533 93 E N 0.657 120.821 120.200 -0.060 0.000 2.244 93 E HA 0.501 4.852 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 30.463 29.700 -0.044 0.000 1.125 94 E HN 0.428 nan 8.360 nan 0.000 0.397 95 N N 1.046 119.652 118.700 -0.158 0.000 2.727 95 N HA -0.257 4.483 4.740 0.000 0.000 0.249 95 N C -1.258 174.124 175.510 -0.214 0.000 1.048 95 N CA 1.310 54.294 53.050 -0.110 0.000 0.714 95 N CB -0.796 37.702 38.487 0.018 0.000 0.959 95 N HN 0.735 nan 8.380 nan 0.000 0.544 96 Q N 0.360 119.815 119.800 -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 1.086 29.704 28.738 -0.199 0.000 1.286 96 Q HN 0.248 nan 8.270 nan 0.000 0.435 97 Y N 1.678 121.962 120.300 -0.026 0.000 2.609 97 Y HA 0.553 5.103 4.550 0.000 0.000 0.342 97 Y C -0.409 175.472 175.900 -0.032 0.000 1.058 97 Y CA -1.182 56.900 58.100 -0.029 0.000 1.055 97 Y CB 1.464 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 2.101 122.750 120.570 0.130 0.000 2.354 98 I HA 0.258 4.428 4.170 0.000 0.000 0.286 98 I C -0.830 175.269 176.117 -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 0.016 0.000 1.320 98 I HN 0.579 nan 8.210 nan 0.000 0.458 99 C N 6.885 126.152 119.300 -0.055 0.000 2.319 99 C HA 0.476 4.937 4.460 0.000 0.000 0.335 99 C C -0.027 174.916 174.990 -0.079 0.000 1.274 99 C CA -0.628 58.381 59.018 -0.015 0.000 1.806 99 C CB 0.105 27.842 27.740 -0.006 0.000 2.329 99 C HN 0.493 nan 8.230 nan 0.000 0.524 100 Y N 1.787 122.075 120.300 -0.019 0.000 2.328 100 Y HA 0.557 5.107 4.550 0.000 0.000 0.337 100 Y C 0.314 176.159 175.900 -0.092 0.000 1.008 100 Y CA -0.299 57.764 58.100 -0.062 0.000 1.129 100 Y CB 0.962 39.199 38.460 -0.370 0.000 1.185 100 Y HN 0.407 nan 8.280 nan 0.000 0.476 101 V N 2.859 122.952 119.914 0.298 0.000 2.604 101 V HA 0.833 4.953 4.120 0.000 0.000 0.305 101 V C -0.382 175.872 176.094 0.267 0.000 1.043 101 V CA -1.097 61.341 62.300 0.230 0.000 0.888 101 V CB 1.672 33.566 31.823 0.119 0.000 0.995 101 V HN 0.842 nan 8.190 nan 0.000 0.429 102 A N 3.781 126.703 122.820 0.169 0.000 2.318 102 A HA 0.877 5.197 4.320 0.000 0.000 0.324 102 A C -1.544 175.953 177.584 -0.146 0.000 1.170 102 A CA -0.408 51.696 52.037 0.111 0.000 0.810 102 A CB 0.758 19.844 19.000 0.143 0.000 1.198 102 A HN 0.739 nan 8.150 nan 0.000 0.484 103 Y N 2.767 123.184 120.300 0.196 0.000 2.350 103 Y HA 0.450 5.000 4.550 0.000 0.000 0.338 103 Y C -2.179 173.845 175.900 0.208 0.000 0.961 103 Y CA -2.481 55.752 58.100 0.220 0.000 1.100 103 Y CB 1.971 40.668 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 0.776 178.205 177.300 0.215 0.000 1.209 104 P CA -0.224 62.983 63.100 0.177 0.000 0.776 104 P CB 1.412 33.164 31.700 0.086 0.000 0.876 105 L N 2.485 123.806 121.223 0.164 0.000 2.187 105 L HA -0.177 4.163 4.340 0.000 0.000 0.213 105 L C 1.316 178.274 176.870 0.147 0.000 1.100 105 L CA 2.017 56.957 54.840 0.167 0.000 0.765 105 L CB -1.135 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 -0.849 119.616 120.400 0.109 0.000 2.378 106 D HA -0.073 4.567 4.640 0.000 0.000 0.222 106 D C 2.010 178.319 176.300 0.015 0.000 0.980 106 D CA 0.744 54.811 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 -0.858 120.261 121.223 -0.175 0.000 2.509 107 L HA 0.111 4.451 4.340 0.000 0.000 0.222 107 L C 0.056 176.466 176.870 -0.767 0.000 1.123 107 L CA 0.212 54.747 54.840 -0.508 0.000 0.856 107 L CB -0.004 41.607 42.059 -0.746 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 0.620 176.446 175.800 0.044 0.000 1.091 108 F CA -1.138 56.819 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 1.487 121.827 120.200 0.233 0.000 2.313 109 E HA 0.160 4.510 4.350 0.000 0.000 0.276 109 E C -0.843 175.885 176.600 0.213 0.000 1.031 109 E CA -0.641 55.853 56.400 0.157 0.000 0.857 109 E CB 0.675 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 2.005 122.269 120.200 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 1.265 57.632 56.400 -0.055 0.000 0.914 110 E CB 0.663 30.325 29.700 -0.064 0.000 0.948 110 E HN 0.794 nan 8.360 nan 0.000 0.444 111 G N 2.549 110.768 108.800 -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 0.331 174.891 174.900 -0.568 0.000 0.986 111 G CA 0.582 44.920 45.100 -1.270 0.000 0.683 111 G HN 0.522 nan 8.290 nan 0.000 0.527 112 S N -0.485 115.077 115.700 -0.229 0.000 2.577 112 S HA 0.516 4.986 4.470 0.000 0.000 0.294 112 S C 1.484 176.164 174.600 0.132 0.000 1.161 112 S CA 0.110 58.334 58.200 0.039 0.000 1.143 112 S CB 1.155 64.380 63.200 0.041 0.000 0.991 112 S HN 0.547 nan 8.310 nan 0.000 0.475 113 V N 4.631 124.593 119.914 0.081 0.000 2.594 113 V HA -0.121 3.999 4.120 0.000 0.000 0.253 113 V C 2.525 178.363 176.094 -0.427 0.000 1.069 113 V CA 2.370 64.473 62.300 -0.327 0.000 1.082 113 V CB -0.900 30.531 31.823 -0.652 0.000 0.680 113 V HN 0.815 nan 8.190 nan 0.000 0.469 114 T N -0.099 114.368 114.554 -0.145 0.000 2.746 114 T HA -0.215 4.135 4.350 0.000 0.000 0.267 114 T C 1.910 176.636 174.700 0.044 0.000 1.039 114 T CA 1.802 63.906 62.100 0.007 0.000 1.142 114 T CB -0.396 68.531 68.868 0.099 0.000 0.866 114 T HN 0.573 nan 8.240 nan 0.000 0.444 115 N N 0.520 119.258 118.700 0.063 0.000 2.250 115 N HA -0.026 4.714 4.740 0.000 0.000 0.181 115 N C 2.097 177.716 175.510 0.181 0.000 1.017 115 N CA 0.809 53.930 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 0.376 nan 8.380 nan 0.000 0.429 116 M N -0.011 119.679 119.600 0.150 0.000 2.065 116 M HA -0.193 4.287 4.480 0.000 0.000 0.259 116 M C 1.434 177.827 176.300 0.154 0.000 1.069 116 M CA 1.664 57.034 55.300 0.117 0.000 1.110 116 M CB -0.177 32.316 32.600 -0.178 0.000 1.328 116 M HN 0.025 nan 8.290 nan 0.000 0.405 117 F N 0.480 120.422 119.950 -0.013 0.000 2.234 117 F HA -0.120 4.407 4.527 0.000 0.000 0.299 117 F C 2.582 178.396 175.800 0.022 0.000 1.087 117 F CA 1.527 59.515 58.000 -0.019 0.000 1.340 117 F CB -1.740 37.231 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 0.778 116.544 115.700 0.111 0.000 2.327 119 S HA 0.176 4.646 4.470 0.000 0.000 0.213 119 S C 2.031 176.680 174.600 0.081 0.000 1.032 119 S CA 0.471 58.706 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 0.981 121.599 120.570 0.079 0.000 2.454 120 I HA -0.053 4.117 4.170 0.000 0.000 0.254 120 I C 1.214 177.534 176.117 0.338 0.000 1.156 120 I CA 0.976 62.359 61.300 0.140 0.000 1.433 120 I CB 0.003 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 0.018 120.072 119.914 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 0.668 32.435 31.823 -0.093 0.000 0.935 121 V HN 0.397 nan 8.190 nan 0.000 0.453 122 G N 1.138 109.998 108.800 0.099 0.000 2.453 122 G HA2 -0.177 3.783 3.960 0.000 0.000 0.215 122 G HA3 -0.177 3.783 3.960 0.000 0.000 0.215 122 G C 1.148 176.062 174.900 0.023 0.000 1.201 122 G CA 1.220 46.347 45.100 0.046 0.000 0.784 122 G HN 0.542 nan 8.290 nan 0.000 0.545 123 N N -0.484 118.223 118.700 0.012 0.000 2.266 123 N HA -0.002 4.738 4.740 0.000 0.000 0.217 123 N C 2.235 177.660 175.510 -0.141 0.000 1.211 123 N CA 0.842 53.846 53.050 -0.077 0.000 0.881 123 N CB 0.376 38.761 38.487 -0.169 0.000 1.153 123 N HN 0.284 nan 8.380 nan 0.000 0.489 124 V N -0.880 118.997 119.914 -0.062 0.000 2.546 124 V HA -0.128 3.992 4.120 0.000 0.000 0.254 124 V C 1.628 177.726 176.094 0.007 0.000 1.076 124 V CA 1.399 63.641 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 2.299 122.224 119.950 -0.042 0.000 2.699 125 F HA 0.336 4.863 4.527 0.000 0.000 0.298 125 F C 2.214 178.073 175.800 0.098 0.000 1.154 125 F CA 0.873 58.892 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 -1.710 107.181 108.800 0.151 0.000 3.324 126 G HA2 0.062 4.022 3.960 0.000 0.000 0.251 126 G HA3 0.062 4.022 3.960 0.000 0.000 0.251 126 G C 0.118 175.059 174.900 0.068 0.000 1.072 126 G CA -0.192 44.963 45.100 0.092 0.000 0.787 126 G HN -0.026 nan 8.290 nan 0.000 0.537 127 F N 1.497 121.462 119.950 0.025 0.000 2.607 127 F HA 0.174 4.701 4.527 0.000 0.000 0.374 127 F C 1.761 177.563 175.800 0.003 0.000 1.104 127 F CA 0.094 58.093 58.000 -0.002 0.000 1.296 127 F CB 1.070 40.042 39.000 -0.046 0.000 1.085 127 F HN -0.040 nan 8.300 nan 0.000 0.584 128 K N 2.638 123.194 120.400 0.260 0.000 2.147 128 K HA -0.110 4.210 4.320 0.000 0.000 0.205 128 K C 1.836 178.489 176.600 0.088 0.000 1.049 128 K CA 1.176 57.539 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 0.787 123.649 122.820 0.070 0.000 2.239 129 A HA 0.074 4.394 4.320 0.000 0.000 0.209 129 A C 0.611 178.181 177.584 -0.023 0.000 1.171 129 A CA 0.506 52.532 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 4.813 4.340 0.000 0.000 0.269 130 L C 1.264 178.165 176.870 0.052 0.000 1.010 130 L CA -0.752 54.100 54.840 0.020 0.000 0.818 130 L CB 1.774 43.843 42.059 0.018 0.000 1.306 130 L HN 0.122 nan 8.230 nan 0.000 0.430 131 R N 0.835 121.364 120.500 0.049 0.000 2.128 131 R HA 0.414 4.754 4.340 0.000 0.000 0.211 131 R C -0.035 176.326 176.300 0.101 0.000 1.067 131 R CA 0.577 56.712 56.100 0.058 0.000 1.010 131 R CB 0.676 31.002 30.300 0.044 0.000 0.922 131 R HN 0.737 nan 8.270 nan 0.000 0.457 132 A N 0.374 123.271 122.820 0.129 0.000 2.612 132 A HA 0.611 4.932 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 1.727 20.860 19.000 0.221 0.000 1.279 132 A HN 0.039 nan 8.150 nan 0.000 0.411 133 L N 0.375 121.595 121.223 -0.006 0.000 2.513 133 L HA 0.805 5.145 4.340 0.000 0.000 0.261 133 L C -0.732 175.972 176.870 -0.277 0.000 0.945 133 L CA -0.116 54.542 54.840 -0.303 0.000 0.848 133 L CB 1.997 43.625 42.059 -0.718 0.000 1.334 133 L HN 0.865 nan 8.230 nan 0.000 0.407 134 R N 3.890 124.349 120.500 -0.069 0.000 2.574 134 R HA 0.606 4.946 4.340 0.000 0.000 0.288 134 R C -1.937 174.437 176.300 0.123 0.000 1.004 134 R CA -0.864 55.299 56.100 0.105 0.000 0.895 134 R CB 1.787 32.139 30.300 0.085 0.000 1.191 134 R HN 0.667 nan 8.270 nan 0.000 0.444 135 L N 4.238 125.568 121.223 0.178 0.000 2.265 135 L HA 0.281 4.621 4.340 0.000 0.000 0.288 135 L C 0.626 177.432 176.870 -0.107 0.000 1.058 135 L CA 0.517 55.303 54.840 -0.089 0.000 0.809 135 L CB 1.243 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 2.248 122.290 120.200 -0.263 0.000 2.201 136 E HA 0.127 4.478 4.350 0.000 0.000 0.193 136 E C -0.308 176.146 176.600 -0.243 0.000 0.957 136 E CA 0.404 56.624 56.400 -0.299 0.000 0.858 136 E CB 0.535 29.822 29.700 -0.688 0.000 0.816 136 E HN 0.687 nan 8.360 nan 0.000 0.475 137 D N -1.060 119.204 120.400 -0.228 0.000 2.653 137 D HA 0.402 5.043 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 53.554 54.000 0.025 0.000 0.777 137 D CB 1.357 42.235 40.800 0.131 0.000 1.339 137 D HN -0.150 nan 8.370 nan 0.000 0.422 138 L N 1.179 122.484 121.223 0.137 0.000 2.431 138 L HA 0.525 4.866 4.340 0.000 0.000 0.266 138 L C -0.358 176.428 176.870 -0.140 0.000 0.978 138 L CA -0.896 53.925 54.840 -0.033 0.000 0.822 138 L CB 2.286 44.314 42.059 -0.053 0.000 1.310 138 L HN 0.188 nan 8.230 nan 0.000 0.409 139 R N 3.906 124.132 120.500 -0.458 0.000 2.215 139 R HA 0.493 4.833 4.340 0.000 0.000 0.337 139 R C -1.067 175.055 176.300 -0.298 0.000 1.010 139 R CA -0.491 55.361 56.100 -0.414 0.000 0.871 139 R CB 0.528 30.434 30.300 -0.658 0.000 1.134 139 R HN 0.571 nan 8.270 nan 0.000 0.477 140 I N 7.726 128.133 120.570 -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 -2.005 59.165 61.300 -0.217 0.000 1.293 140 I CB 1.558 39.413 38.000 -0.241 0.000 1.403 140 I HN 0.289 nan 8.210 nan 0.000 0.484 141 P HA -0.040 nan 4.420 nan 0.000 0.268 141 P C 1.087 178.382 177.300 -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 32.910 31.700 -0.010 0.000 0.858 142 V N 0.858 120.761 119.914 -0.018 0.000 2.568 142 V HA -0.225 3.895 4.120 0.000 0.000 0.253 142 V C 2.215 178.344 176.094 0.059 0.000 1.072 142 V CA 2.017 64.322 62.300 0.009 0.000 1.084 142 V CB -2.089 29.741 31.823 0.013 0.000 0.676 142 V HN 0.528 nan 8.190 nan 0.000 0.469 143 A N -1.033 121.832 122.820 0.075 0.000 2.015 143 A HA -0.103 4.217 4.320 0.000 0.000 0.219 143 A C 2.114 179.804 177.584 0.176 0.000 1.163 143 A CA 1.767 53.864 52.037 0.101 0.000 0.646 143 A CB -0.715 18.338 19.000 0.088 0.000 0.806 143 A HN 0.722 nan 8.150 nan 0.000 0.448 144 Y N -0.256 120.071 120.300 0.044 0.000 2.397 144 Y HA 0.039 4.589 4.550 0.000 0.000 0.292 144 Y C 2.229 178.250 175.900 0.201 0.000 1.115 144 Y CA 0.839 58.995 58.100 0.093 0.000 1.208 144 Y CB -0.083 38.410 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 2.172 178.371 176.094 0.174 0.000 1.064 145 V CA 1.879 64.254 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 1.993 178.599 176.600 0.010 0.000 1.041 146 K CA 1.419 57.745 56.287 0.066 0.000 0.970 146 K CB -0.627 31.902 32.500 0.048 0.000 0.773 146 K HN 0.728 nan 8.250 nan 0.000 0.479 147 T N -1.990 112.527 114.554 -0.062 0.000 3.169 147 T HA 0.147 4.498 4.350 0.000 0.000 0.250 147 T C 0.382 174.826 174.700 -0.427 0.000 1.111 147 T CA -0.225 61.728 62.100 -0.244 0.000 1.010 147 T CB -0.310 68.353 68.868 -0.342 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 2.144 41.072 39.000 -0.120 0.000 1.199 148 F HN -0.129 nan 8.300 nan 0.000 0.473 149 Q N 1.898 121.800 119.800 0.169 0.000 2.163 149 Q HA 0.275 4.615 4.340 0.000 0.000 0.198 149 Q C 0.936 176.973 176.000 0.062 0.000 0.954 149 Q CA 1.120 56.956 55.803 0.054 0.000 0.851 149 Q CB 0.070 28.798 28.738 -0.017 0.000 0.928 149 Q HN 1.002 nan 8.270 nan 0.000 0.459 150 G N 0.553 109.412 108.800 0.099 0.000 2.632 150 G HA2 -0.230 3.730 3.960 0.000 0.000 0.224 150 G HA3 -0.230 3.730 3.960 0.000 0.000 0.224 150 G C -2.582 172.303 174.900 -0.025 0.000 1.341 150 G CA -0.460 44.647 45.100 0.013 0.000 0.880 150 G HN 0.311 nan 8.290 nan 0.000 0.566 151 P HA 0.208 nan 4.420 nan 0.000 0.265 151 P C -1.770 175.476 177.300 -0.090 0.000 1.187 151 P CA -0.376 62.679 63.100 -0.075 0.000 0.766 151 P CB 0.387 32.038 31.700 -0.082 0.000 0.820 152 P HA -0.157 nan 4.420 nan 0.000 0.218 152 P C 0.724 177.665 177.300 -0.599 0.000 1.149 152 P CA 1.791 64.730 63.100 -0.269 0.000 0.817 152 P CB 0.074 31.695 31.700 -0.132 0.000 0.785 153 H N -3.757 115.292 119.070 -0.035 0.000 1.955 153 H HA 0.340 4.896 4.556 0.000 0.000 0.196 153 H C 1.092 176.409 175.328 -0.019 0.000 0.891 153 H CA 0.923 56.957 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 1.140 110.001 108.800 0.102 0.000 2.707 154 G HA2 -0.192 3.768 3.960 0.000 0.000 0.686 154 G HA3 -0.192 3.768 3.960 0.000 0.000 0.686 154 G C 0.786 175.723 174.900 0.063 0.000 1.315 154 G CA -0.095 45.030 45.100 0.042 0.000 0.832 154 G HN 0.193 nan 8.290 nan 0.000 0.573 155 I N 0.162 120.754 120.570 0.038 0.000 2.113 155 I HA -0.319 3.851 4.170 0.000 0.000 0.242 155 I C 2.919 179.074 176.117 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 37.714 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 2.447 58.302 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 2.346 178.480 176.094 0.067 0.000 1.055 157 V CA 2.247 64.605 62.300 0.095 0.000 1.049 157 V CB -0.782 31.123 31.823 0.137 0.000 0.662 157 V HN 0.509 nan 8.190 nan 0.000 0.455 158 E N 0.265 120.502 120.200 0.062 0.000 2.077 158 E HA -0.241 4.109 4.350 0.000 0.000 0.193 158 E C 2.451 179.055 176.600 0.005 0.000 0.989 158 E CA 1.313 57.732 56.400 0.030 0.000 0.800 158 E CB -0.069 29.676 29.700 0.074 0.000 0.746 158 E HN 0.515 nan 8.360 nan 0.000 0.452 159 R N 0.284 120.782 120.500 -0.004 0.000 2.092 159 R HA -0.109 4.231 4.340 0.000 0.000 0.231 159 R C 1.937 178.114 176.300 -0.205 0.000 1.119 159 R CA 1.428 57.445 56.100 -0.139 0.000 0.970 159 R CB -0.095 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 0.475 120.886 120.400 0.017 0.000 2.144 160 D HA -0.119 4.521 4.640 0.000 0.000 0.199 160 D C 1.642 177.962 176.300 0.034 0.000 0.984 160 D CA 1.239 55.300 54.000 0.102 0.000 0.834 160 D CB 0.054 40.938 40.800 0.140 0.000 0.955 160 D HN 0.188 nan 8.370 nan 0.000 0.465 161 K N 0.020 120.420 120.400 0.001 0.000 2.062 161 K HA 0.063 4.383 4.320 0.000 0.000 0.205 161 K C 2.108 178.695 176.600 -0.023 0.000 1.051 161 K CA 0.467 56.748 56.287 -0.010 0.000 0.941 161 K CB 0.073 32.550 32.500 -0.039 0.000 0.719 161 K HN 0.155 nan 8.250 nan 0.000 0.440 162 L N 0.302 121.495 121.223 -0.049 0.000 2.492 162 L HA 0.024 4.364 4.340 0.000 0.000 0.223 162 L C 0.473 177.274 176.870 -0.115 0.000 1.132 162 L CA 0.119 54.925 54.840 -0.056 0.000 0.850 162 L CB -0.442 41.597 42.059 -0.033 0.000 0.966 162 L HN 0.397 nan 8.230 nan 0.000 0.454 163 N N 1.183 119.771 118.700 -0.187 0.000 2.783 163 N HA -0.166 4.575 4.740 0.000 0.000 0.247 163 N C -0.512 174.757 175.510 -0.402 0.000 1.089 163 N CA 0.357 53.273 53.050 -0.223 0.000 0.690 163 N CB -0.381 38.087 38.487 -0.033 0.000 0.991 163 N HN 0.355 nan 8.380 nan 0.000 0.552 164 K N 1.451 121.451 120.400 -0.667 0.000 2.450 164 K HA 0.418 4.738 4.320 0.000 0.000 0.257 164 K C -1.408 174.807 176.600 -0.642 0.000 0.953 164 K CA -0.322 55.678 56.287 -0.478 0.000 0.844 164 K CB 1.058 33.400 32.500 -0.263 0.000 1.103 164 K HN 0.099 nan 8.250 nan 0.000 0.429 165 Y N -0.573 119.730 120.300 0.006 0.000 2.562 165 Y HA 0.427 4.978 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 -0.839 57.268 58.100 0.011 0.000 1.028 165 Y CB 2.488 40.955 38.460 0.012 0.000 1.297 165 Y HN 0.747 nan 8.280 nan 0.000 0.463 166 G N 1.487 110.399 108.800 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 0.324 45.490 45.100 0.110 0.000 0.665 166 G HN 0.955 nan 8.290 nan 0.000 0.528 167 R N -2.229 118.307 120.500 0.061 0.000 2.753 167 R HA 0.570 4.910 4.340 0.000 0.000 0.272 167 R C -3.502 172.818 176.300 0.034 0.000 1.034 167 R CA -1.620 54.508 56.100 0.046 0.000 0.869 167 R CB 0.090 30.412 30.300 0.037 0.000 1.264 167 R HN 0.037 nan 8.270 nan 0.000 0.481 168 P HA 0.132 nan 4.420 nan 0.000 0.271 168 P C -0.660 176.643 177.300 0.005 0.000 1.233 168 P CA -0.359 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 1.157 122.376 121.223 -0.007 0.000 2.343 169 L HA 0.410 4.750 4.340 0.000 0.000 0.275 169 L C 0.078 176.957 176.870 0.015 0.000 1.056 169 L CA -0.632 54.193 54.840 -0.025 0.000 0.804 169 L CB 0.410 42.486 42.059 0.028 0.000 1.203 169 L HN 0.164 nan 8.230 nan 0.000 0.440 170 L N 1.739 122.954 121.223 -0.013 0.000 2.307 170 L HA 0.735 5.075 4.340 0.000 0.000 0.284 170 L C 0.331 177.253 176.870 0.087 0.000 1.023 170 L CA -0.261 54.621 54.840 0.071 0.000 0.810 170 L CB 1.748 43.842 42.059 0.058 0.000 1.231 170 L HN 0.712 nan 8.230 nan 0.000 0.423 171 G N 0.880 109.764 108.800 0.140 0.000 2.798 171 G HA2 0.624 4.584 3.960 0.000 0.000 0.286 171 G HA3 0.624 4.584 3.960 0.000 0.000 0.286 171 G C -1.975 172.961 174.900 0.061 0.000 1.389 171 G CA -0.480 44.692 45.100 0.120 0.000 0.894 171 G HN 0.704 nan 8.290 nan 0.000 0.488 172 C N -0.054 119.232 119.300 -0.024 0.000 2.931 172 C HA 0.735 5.195 4.460 0.000 0.000 0.370 172 C C -0.259 174.694 174.990 -0.062 0.000 1.071 172 C CA -0.416 58.600 59.018 -0.003 0.000 1.266 172 C CB 0.627 28.384 27.740 0.028 0.000 1.691 172 C HN 0.812 nan 8.230 nan 0.000 0.511 173 T N 7.104 121.643 114.554 -0.025 0.000 2.771 173 T HA 0.411 4.761 4.350 0.000 0.000 0.291 173 T C 0.436 175.129 174.700 -0.012 0.000 0.954 173 T CA -0.247 61.846 62.100 -0.012 0.000 1.045 173 T CB 0.328 69.222 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 0.233 4.403 4.170 0.000 0.000 0.284 174 I C 0.701 176.784 176.117 -0.057 0.000 1.159 174 I CA 0.069 61.277 61.300 -0.154 0.000 1.423 174 I CB 0.005 37.676 38.000 -0.548 0.000 1.380 174 I HN 0.439 nan 8.210 nan 0.000 0.580 175 K N 6.029 126.400 120.400 -0.048 0.000 2.443 175 K HA 0.559 4.880 4.320 0.000 0.000 0.251 175 K C -2.442 174.162 176.600 0.007 0.000 0.972 175 K CA -1.549 54.745 56.287 0.012 0.000 0.833 175 K CB 1.739 34.257 32.500 0.029 0.000 1.317 175 K HN 0.310 nan 8.250 nan 0.000 0.441 176 P HA 0.155 nan 4.420 nan 0.000 0.272 176 P C 0.292 177.624 177.300 0.052 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 1.370 57.706 56.287 0.082 0.000 0.937 177 K CB -0.347 32.181 32.500 0.047 0.000 0.719 177 K HN 0.408 nan 8.250 nan 0.000 0.446 178 L N -2.078 119.138 121.223 -0.013 0.000 2.323 178 L HA 0.423 4.763 4.340 0.000 0.000 0.265 178 L C 0.818 177.363 176.870 -0.540 0.000 1.012 178 L CA -0.282 54.436 54.840 -0.203 0.000 0.820 178 L CB 2.206 44.173 42.059 -0.154 0.000 1.334 178 L HN 0.500 nan 8.230 nan 0.000 0.427 179 G N 1.030 109.059 108.800 -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 0.318 nan 8.290 nan 0.000 0.489 180 L N 2.335 123.554 121.223 -0.007 0.000 2.436 180 L HA 0.545 4.885 4.340 0.000 0.000 0.265 180 L C 1.531 178.577 176.870 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 1.153 116.977 115.700 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 1.592 64.844 63.200 0.086 0.000 0.987 181 S HN 0.683 nan 8.310 nan 0.000 0.552 182 A N 1.001 123.883 122.820 0.103 0.000 1.902 182 A HA -0.061 4.259 4.320 0.000 0.000 0.217 182 A C 2.174 179.695 177.584 -0.105 0.000 1.181 182 A CA 1.578 53.688 52.037 0.121 0.000 0.623 182 A CB -0.883 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 -0.285 119.841 120.400 -0.457 0.000 2.097 183 K HA -0.119 4.201 4.320 0.000 0.000 0.205 183 K C 1.701 178.141 176.600 -0.266 0.000 1.050 183 K CA 1.534 57.350 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 -0.759 117.888 118.700 -0.087 0.000 2.244 184 N HA -0.156 4.584 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 0.661 53.713 53.050 0.003 0.000 0.866 184 N CB -0.066 38.442 38.487 0.035 0.000 0.980 184 N HN 0.149 nan 8.380 nan 0.000 0.430 185 Y N 1.279 121.579 120.300 -0.001 0.000 2.145 185 Y HA -0.114 4.436 4.550 0.000 0.000 0.286 185 Y C 2.500 178.410 175.900 0.017 0.000 1.145 185 Y CA 1.693 59.818 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 1.745 176.697 174.900 0.088 0.000 1.135 186 G CA 0.871 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 0.535 121.066 120.500 0.053 0.000 2.075 187 R HA 0.110 4.450 4.340 0.000 0.000 0.232 187 R C 2.720 179.064 176.300 0.074 0.000 1.126 187 R CA 1.457 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 2.196 179.755 177.584 -0.043 0.000 1.169 188 A CA 1.194 53.206 52.037 -0.043 0.000 0.635 188 A CB -0.253 18.680 19.000 -0.112 0.000 0.810 188 A HN 0.231 nan 8.150 nan 0.000 0.445 189 V N -1.252 118.652 119.914 -0.017 0.000 2.323 189 V HA -0.234 3.886 4.120 0.000 0.000 0.244 189 V C 2.349 178.478 176.094 0.058 0.000 1.041 189 V CA 1.982 64.295 62.300 0.022 0.000 1.025 189 V CB -0.953 30.873 31.823 0.006 0.000 0.656 189 V HN 0.750 nan 8.190 nan 0.000 0.451 190 Y N 1.561 121.860 120.300 -0.002 0.000 2.145 190 Y HA -0.207 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 -0.339 38.133 38.460 0.020 0.000 0.981 190 Y HN 0.283 nan 8.280 nan 0.000 0.507 191 E N -0.417 119.563 120.200 -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 -0.888 28.702 29.700 -0.184 0.000 0.746 191 E HN 0.560 nan 8.360 nan 0.000 0.452 192 C N 0.828 120.041 119.300 -0.145 0.000 2.446 192 C HA -0.047 4.413 4.460 0.000 0.000 0.277 192 C C 2.875 177.808 174.990 -0.095 0.000 1.275 192 C CA 0.260 59.221 59.018 -0.095 0.000 1.727 192 C CB -1.138 26.574 27.740 -0.047 0.000 2.010 192 C HN 0.350 nan 8.230 nan 0.000 0.486 193 L N 1.318 122.491 121.223 -0.083 0.000 2.046 193 L HA -0.153 4.187 4.340 0.000 0.000 0.208 193 L C 2.905 179.726 176.870 -0.081 0.000 1.077 193 L CA 1.758 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 0.479 nan 8.230 nan 0.000 0.432 194 R N 0.507 120.909 120.500 -0.164 0.000 2.285 194 R HA -0.048 4.292 4.340 0.000 0.000 0.213 194 R C 1.803 178.040 176.300 -0.104 0.000 1.068 194 R CA 1.155 57.172 56.100 -0.138 0.000 1.004 194 R CB -0.579 29.564 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 0.232 45.280 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 0.338 nan 8.290 nan 0.000 0.489 197 L N 1.247 122.433 121.223 -0.062 0.000 2.395 197 L HA 0.375 4.716 4.340 0.000 0.000 0.269 197 L C 1.077 177.879 176.870 -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 1.309 121.581 120.400 -0.213 0.000 2.183 198 D HA 0.041 4.681 4.640 0.000 0.000 0.205 198 D C -0.143 175.890 176.300 -0.445 0.000 0.962 198 D CA 1.498 55.231 54.000 -0.445 0.000 0.849 198 D CB 0.319 40.643 40.800 -0.794 0.000 0.978 198 D HN 0.137 nan 8.370 nan 0.000 0.488 199 F N -0.056 119.878 119.950 -0.027 0.000 2.588 199 F HA 0.347 4.874 4.527 0.000 0.000 0.314 199 F C 0.480 176.149 175.800 -0.218 0.000 1.069 199 F CA -1.118 56.818 58.000 -0.107 0.000 0.931 199 F CB 1.721 40.650 39.000 -0.118 0.000 1.260 199 F HN -0.359 nan 8.300 nan 0.000 0.465 200 T N -1.086 113.412 114.554 -0.093 0.000 2.916 200 T HA 0.868 5.218 4.350 0.000 0.000 0.292 200 T C -1.139 173.155 174.700 -0.676 0.000 1.064 200 T CA -1.044 60.945 62.100 -0.184 0.000 1.011 200 T CB 2.699 71.624 68.868 0.095 0.000 1.152 200 T HN 0.793 nan 8.240 nan 0.000 0.510 201 K N -0.103 119.944 120.400 -0.589 0.000 2.556 201 K HA 0.594 4.914 4.320 0.000 0.000 0.274 201 K C -1.848 174.658 176.600 -0.157 0.000 0.966 201 K CA -0.980 54.864 56.287 -0.739 0.000 0.865 201 K CB 1.375 33.397 32.500 -0.798 0.000 1.444 201 K HN 0.354 nan 8.250 nan 0.000 0.433 202 D N 1.258 121.663 120.400 0.008 0.000 2.362 202 D HA 0.105 4.745 4.640 0.000 0.000 0.242 202 D C -0.511 175.917 176.300 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 0.364 120.903 120.400 0.232 0.000 2.358 203 D HA -0.048 4.592 4.640 0.000 0.000 0.244 203 D C 1.386 177.693 176.300 0.012 0.000 1.163 203 D CA -0.263 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 1.471 121.534 120.200 -0.227 0.000 2.209 204 E HA -0.242 4.108 4.350 0.000 0.000 0.196 204 E C 0.549 177.057 176.600 -0.153 0.000 0.993 204 E CA 1.093 57.261 56.400 -0.388 0.000 0.819 204 E CB -0.373 28.839 29.700 -0.814 0.000 0.745 204 E HN 0.475 nan 8.360 nan 0.000 0.477 205 N N 0.876 119.536 118.700 -0.066 0.000 2.280 205 N HA 0.023 4.763 4.740 0.000 0.000 0.192 205 N C -0.003 175.546 175.510 0.065 0.000 1.109 205 N CA -0.130 52.917 53.050 -0.005 0.000 0.855 205 N CB 0.267 38.756 38.487 0.004 0.000 0.974 205 N HN -0.064 nan 8.380 nan 0.000 0.482 206 V N 1.848 121.817 119.914 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 -0.323 31.587 31.823 0.144 0.000 1.031 206 V HN 0.299 nan 8.190 nan 0.000 0.479 207 N N 2.585 121.321 118.700 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 -0.416 57.787 58.200 0.006 0.000 1.001 208 S CB 1.145 64.449 63.200 0.173 0.000 1.032 208 S HN 0.256 nan 8.310 nan 0.000 0.487 209 Q N 3.299 122.901 119.800 -0.330 0.000 2.501 209 Q HA 0.465 4.805 4.340 0.000 0.000 0.288 209 Q C -2.123 173.604 176.000 -0.456 0.000 1.051 209 Q CA -1.806 53.740 55.803 -0.429 0.000 0.788 209 Q CB 1.609 29.936 28.738 -0.685 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 0.594 177.838 177.300 -0.093 0.000 1.151 210 P CA 1.527 64.561 63.100 -0.111 0.000 0.849 210 P CB 0.028 31.735 31.700 0.012 0.000 0.787 211 F N -2.544 117.417 119.950 0.018 0.000 2.407 211 F HA 0.234 4.761 4.527 0.000 0.000 0.299 211 F C 1.029 176.842 175.800 0.021 0.000 1.097 211 F CA 0.177 58.190 58.000 0.021 0.000 1.422 211 F CB -0.615 38.402 39.000 0.029 0.000 1.067 211 F HN -0.171 nan 8.300 nan 0.000 0.539 212 M N 1.226 120.595 119.600 -0.386 0.000 2.310 212 M HA 0.354 4.834 4.480 0.000 0.000 0.242 212 M C -1.480 174.671 176.300 -0.250 0.000 1.000 212 M CA -0.540 54.654 55.300 -0.177 0.000 0.970 212 M CB 1.177 33.766 32.600 -0.018 0.000 2.191 212 M HN -0.192 nan 8.290 nan 0.000 0.470 213 R N 3.856 124.264 120.500 -0.153 0.000 2.459 213 R HA 0.253 4.593 4.340 0.000 0.000 0.281 213 R C 1.091 177.308 176.300 -0.137 0.000 1.050 213 R CA -0.185 55.818 56.100 -0.161 0.000 1.055 213 R CB 0.683 30.859 30.300 -0.206 0.000 1.045 213 R HN 0.975 nan 8.270 nan 0.000 0.495 214 W N 4.431 125.633 121.300 -0.164 0.000 2.318 214 W HA -0.226 4.434 4.660 0.000 0.000 0.313 214 W C 1.164 177.522 176.519 -0.268 0.000 1.221 214 W CA 0.952 58.178 57.345 -0.199 0.000 1.266 214 W CB -0.546 28.725 29.460 -0.316 0.000 1.150 214 W HN 0.587 nan 8.180 nan 0.000 0.496 215 R N 0.969 120.641 120.500 -1.378 0.000 2.120 215 R HA -0.149 4.191 4.340 0.000 0.000 0.234 215 R C 1.880 177.947 176.300 -0.388 0.000 1.123 215 R CA 2.070 57.450 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 0.034 nan 8.270 nan 0.000 0.446 216 D N -0.311 119.926 120.400 -0.273 0.000 2.144 216 D HA -0.160 4.480 4.640 0.000 0.000 0.200 216 D C 1.841 178.243 176.300 0.171 0.000 0.978 216 D CA 0.882 54.854 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 0.409 0.000 1.136 217 R CA 1.004 57.282 56.100 0.295 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 2.240 178.122 175.800 0.136 0.000 1.095 218 F CA 1.184 59.319 58.000 0.225 0.000 1.249 218 F CB -0.890 38.367 39.000 0.429 0.000 0.995 218 F HN 0.102 nan 8.300 nan 0.000 0.480 219 L N -1.476 119.950 121.223 0.338 0.000 2.017 219 L HA -0.227 4.113 4.340 0.000 0.000 0.208 219 L C 2.306 179.177 176.870 0.001 0.000 1.073 219 L CA 1.486 56.394 54.840 0.114 0.000 0.745 219 L CB -0.544 41.501 42.059 -0.024 0.000 0.894 219 L HN -0.046 nan 8.230 nan 0.000 0.432 220 F N -1.056 118.962 119.950 0.112 0.000 2.186 220 F HA -0.179 4.348 4.527 0.000 0.000 0.299 220 F C 2.567 178.388 175.800 0.036 0.000 1.090 220 F CA 1.101 59.144 58.000 0.073 0.000 1.307 220 F CB -1.069 37.977 39.000 0.077 0.000 1.019 220 F HN 0.178 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 0.845 59.841 59.018 -0.036 0.000 1.752 221 C CB -1.555 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 0.339 123.142 122.820 -0.029 0.000 1.898 222 A HA -0.207 4.113 4.320 0.000 0.000 0.216 222 A C 2.162 179.735 177.584 -0.018 0.000 1.181 222 A CA 1.755 53.722 52.037 -0.116 0.000 0.620 222 A CB -0.626 18.365 19.000 -0.014 0.000 0.819 222 A HN 0.690 nan 8.150 nan 0.000 0.442 223 E N -0.027 120.236 120.200 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 1.086 57.576 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 1.335 124.207 122.820 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 0.111 0.000 1.186 224 A CA 1.702 53.799 52.037 0.100 0.000 0.620 224 A CB -0.817 18.264 19.000 0.135 0.000 0.822 224 A HN 0.418 nan 8.150 nan 0.000 0.443 225 L N -2.792 118.433 121.223 0.002 0.000 2.083 225 L HA -0.095 4.245 4.340 0.000 0.000 0.209 225 L C 2.185 179.047 176.870 -0.013 0.000 1.083 225 L CA 1.916 56.735 54.840 -0.035 0.000 0.752 225 L CB -1.255 40.721 42.059 -0.137 0.000 0.899 225 L HN 0.279 nan 8.230 nan 0.000 0.433 226 Y N 0.537 120.879 120.300 0.070 0.000 2.352 226 Y HA -0.094 4.456 4.550 0.000 0.000 0.292 226 Y C 2.736 178.666 175.900 0.049 0.000 1.136 226 Y CA 1.397 59.527 58.100 0.049 0.000 1.227 226 Y CB -0.587 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 0.016 120.525 120.400 0.181 0.000 2.031 227 K HA -0.079 4.241 4.320 0.000 0.000 0.205 227 K C 2.308 179.029 176.600 0.202 0.000 1.049 227 K CA 1.002 57.346 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 1.113 124.119 122.820 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 0.285 0.000 0.628 228 A CB -0.568 18.560 19.000 0.214 0.000 0.814 228 A HN 0.545 nan 8.150 nan 0.000 0.444 229 Q N -0.652 119.234 119.800 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 1.396 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 1.437 53.525 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 -0.282 119.979 120.200 0.101 0.000 2.072 231 E HA -0.146 4.204 4.350 0.000 0.000 0.190 231 E C 1.995 178.635 176.600 0.067 0.000 0.982 231 E CA 1.702 58.159 56.400 0.095 0.000 0.803 231 E CB -0.026 29.763 29.700 0.148 0.000 0.755 231 E HN 0.713 nan 8.360 nan 0.000 0.453 232 T N -3.983 110.608 114.554 0.061 0.000 3.040 232 T HA 0.253 4.603 4.350 0.000 0.000 0.252 232 T C 1.555 176.273 174.700 0.030 0.000 1.064 232 T CA 0.634 62.756 62.100 0.037 0.000 1.110 232 T CB 0.555 69.438 68.868 0.024 0.000 0.921 232 T HN 0.318 nan 8.240 nan 0.000 0.480 233 G N 1.176 109.998 108.800 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 -0.280 174.633 174.900 0.021 0.000 0.979 233 G CA 0.088 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 -0.393 119.816 120.200 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 -1.071 55.326 56.400 -0.005 0.000 0.779 234 E CB 1.822 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 3.268 123.831 120.570 -0.011 0.000 2.618 235 I HA -0.023 4.147 4.170 0.000 0.000 0.284 235 I C 0.416 176.522 176.117 -0.019 0.000 1.146 235 I CA 0.501 61.804 61.300 0.005 0.000 1.425 235 I CB 0.094 38.096 38.000 0.004 0.000 1.383 235 I HN 0.175 nan 8.210 nan 0.000 0.562 236 K N 4.583 124.996 120.400 0.021 0.000 2.295 236 K HA 0.793 5.113 4.320 0.000 0.000 0.239 236 K C -0.223 176.437 176.600 0.101 0.000 0.991 236 K CA -0.733 55.567 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 0.156 109.087 108.800 0.219 0.000 2.690 237 G HA2 0.373 4.333 3.960 0.000 0.000 0.293 237 G HA3 0.373 4.333 3.960 0.000 0.000 0.293 237 G C -1.890 173.191 174.900 0.302 0.000 1.399 237 G CA -0.279 45.009 45.100 0.313 0.000 0.890 237 G HN 0.559 nan 8.290 nan 0.000 0.485 238 H N 0.990 120.118 119.070 0.096 0.000 2.924 238 H HA 0.337 4.893 4.556 0.000 0.000 0.333 238 H C -1.088 174.263 175.328 0.037 0.000 0.979 238 H CA -0.559 55.490 56.048 0.002 0.000 1.326 238 H CB 1.219 30.968 29.762 -0.021 0.000 1.600 238 H HN 0.355 nan 8.280 nan 0.000 0.520 239 Y N 5.358 125.347 120.300 -0.518 0.000 2.537 239 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 -0.598 57.282 58.100 -0.366 0.000 1.357 239 Y CB -0.261 37.965 38.460 -0.391 0.000 1.175 239 Y HN 0.364 nan 8.280 nan 0.000 0.525 240 L N 4.179 125.373 121.223 -0.047 0.000 2.265 240 L HA 0.274 4.614 4.340 0.000 0.000 0.288 240 L C 0.567 177.409 176.870 -0.048 0.000 1.058 240 L CA -0.221 54.477 54.840 -0.237 0.000 0.809 240 L CB 0.627 42.168 42.059 -0.863 0.000 1.179 240 L HN 0.631 nan 8.230 nan 0.000 0.429 241 N N 1.854 120.628 118.700 0.124 0.000 2.442 241 N HA 0.216 4.956 4.740 0.000 0.000 0.265 241 N C 0.531 176.196 175.510 0.259 0.000 1.138 241 N CA -0.076 53.093 53.050 0.198 0.000 0.956 241 N CB 1.120 39.721 38.487 0.191 0.000 1.067 241 N HN 0.789 nan 8.380 nan 0.000 0.474 242 A N 2.724 125.653 122.820 0.182 0.000 2.348 242 A HA 0.098 4.418 4.320 0.000 0.000 0.224 242 A C 0.622 178.244 177.584 0.064 0.000 1.227 242 A CA -0.102 51.995 52.037 0.099 0.000 0.885 242 A CB 0.074 19.104 19.000 0.049 0.000 0.933 242 A HN 0.600 nan 8.150 nan 0.000 0.506 243 T N 1.714 116.353 114.554 0.142 0.000 2.933 243 T HA 0.444 4.795 4.350 0.000 0.000 0.306 243 T C 0.278 174.984 174.700 0.011 0.000 1.045 243 T CA 0.949 63.125 62.100 0.126 0.000 1.143 243 T CB 0.734 69.613 68.868 0.019 0.000 1.003 243 T HN 0.810 nan 8.240 nan 0.000 0.540 244 A N 2.203 125.021 122.820 -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 -0.885 107.883 108.800 -0.053 0.000 2.464 245 G HA2 0.366 4.326 3.960 0.000 0.000 0.217 245 G HA3 0.366 4.326 3.960 0.000 0.000 0.217 245 G C 0.657 175.535 174.900 -0.035 0.000 1.138 245 G CA 1.777 46.854 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 0.897 175.564 174.700 -0.056 0.000 1.084 246 T CA -0.319 61.755 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 -0.078 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 0.781 59.758 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 1.277 121.432 120.200 -0.075 0.000 2.051 248 E HA -0.166 4.184 4.350 0.000 0.000 0.192 248 E C 1.713 178.245 176.600 -0.112 0.000 0.991 248 E CA 1.384 57.736 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 0.546 nan 8.360 nan 0.000 0.449 249 D N -0.190 120.138 120.400 -0.121 0.000 2.144 249 D HA -0.126 4.515 4.640 0.000 0.000 0.200 249 D C 1.855 177.997 176.300 -0.263 0.000 0.978 249 D CA 0.728 54.620 54.000 -0.181 0.000 0.833 249 D CB -0.186 40.518 40.800 -0.161 0.000 0.961 249 D HN 0.172 nan 8.370 nan 0.000 0.470 250 M N -0.217 119.261 119.600 -0.203 0.000 2.086 250 M HA -0.176 4.304 4.480 0.000 0.000 0.261 250 M C 1.748 177.894 176.300 -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 0.275 119.728 119.600 -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 1.504 56.623 55.300 -0.302 0.000 1.114 251 M CB -1.202 31.252 32.600 -0.243 0.000 1.387 251 M HN 0.303 nan 8.290 nan 0.000 0.420 252 K N 0.071 120.335 120.400 -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 1.285 57.470 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 0.403 nan 8.250 nan 0.000 0.442 253 R N 0.052 120.244 120.500 -0.513 0.000 2.073 253 R HA -0.026 4.314 4.340 0.000 0.000 0.229 253 R C 2.383 178.705 176.300 0.036 0.000 1.120 253 R CA 1.033 56.794 56.100 -0.564 0.000 0.967 253 R CB -0.292 29.549 30.300 -0.764 0.000 0.862 253 R HN 0.137 nan 8.270 nan 0.000 0.436 254 A N 0.938 123.715 122.820 -0.072 0.000 1.902 254 A HA -0.101 4.219 4.320 0.000 0.000 0.217 254 A C 2.353 179.982 177.584 0.076 0.000 1.181 254 A CA 1.286 53.310 52.037 -0.021 0.000 0.623 254 A CB -0.518 18.306 19.000 -0.292 0.000 0.818 254 A HN 0.102 nan 8.150 nan 0.000 0.443 255 V N -1.300 118.613 119.914 -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 1.349 121.428 119.950 0.214 0.000 2.259 256 F HA 0.023 4.550 4.527 0.000 0.000 0.298 256 F C 2.233 178.235 175.800 0.337 0.000 1.088 256 F CA 0.778 58.955 58.000 0.295 0.000 1.358 256 F CB -0.605 38.644 39.000 0.415 0.000 1.040 256 F HN 0.081 nan 8.300 nan 0.000 0.505 257 A N 0.498 123.512 122.820 0.323 0.000 1.933 257 A HA -0.170 4.150 4.320 0.000 0.000 0.218 257 A C 2.456 180.089 177.584 0.081 0.000 1.175 257 A CA 1.352 53.479 52.037 0.149 0.000 0.628 257 A CB -0.702 18.396 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 -0.140 4.200 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 0.083 0.000 2.204 259 E HA -0.134 4.216 4.350 0.000 0.000 0.194 259 E C 1.872 178.454 176.600 -0.030 0.000 0.989 259 E CA 0.706 57.139 56.400 0.055 0.000 0.824 259 E CB 0.025 29.813 29.700 0.147 0.000 0.756 259 E HN 0.332 nan 8.360 nan 0.000 0.477 260 L N -0.685 120.458 121.223 -0.133 0.000 2.418 260 L HA 0.136 4.476 4.340 0.000 0.000 0.218 260 L C 1.558 178.469 176.870 0.069 0.000 1.125 260 L CA 0.529 55.311 54.840 -0.098 0.000 0.835 260 L CB 0.086 42.014 42.059 -0.219 0.000 0.953 260 L HN 0.410 nan 8.230 nan 0.000 0.454 261 G N 0.660 109.496 108.800 0.060 0.000 2.143 261 G HA2 -0.255 3.705 3.960 0.000 0.000 0.248 261 G HA3 -0.255 3.705 3.960 0.000 0.000 0.248 261 G C 0.371 175.350 174.900 0.131 0.000 0.991 261 G CA 0.229 45.392 45.100 0.105 0.000 0.689 261 G HN 0.246 nan 8.290 nan 0.000 0.522 262 V N -1.923 118.031 119.914 0.067 0.000 3.003 262 V HA 0.693 4.813 4.120 0.000 0.000 0.305 262 V C 0.009 176.115 176.094 0.020 0.000 1.078 262 V CA -0.769 61.539 62.300 0.013 0.000 1.083 262 V CB 1.233 33.020 31.823 -0.061 0.000 1.039 262 V HN 0.100 nan 8.190 nan 0.000 0.481 263 P HA 0.295 nan 4.420 nan 0.000 0.245 263 P C 0.062 177.337 177.300 -0.041 0.000 1.203 263 P CA 0.585 63.686 63.100 0.003 0.000 0.792 263 P CB 0.582 32.304 31.700 0.036 0.000 0.997 264 I N 0.237 120.781 120.570 -0.044 0.000 2.692 264 I HA 0.332 4.502 4.170 0.000 0.000 0.293 264 I C -0.969 175.088 176.117 -0.100 0.000 1.200 264 I CA -1.289 59.936 61.300 -0.124 0.000 1.036 264 I CB 2.548 40.404 38.000 -0.240 0.000 1.258 264 I HN -0.288 nan 8.210 nan 0.000 0.421 265 V N 4.242 124.091 119.914 -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 -1.973 174.440 176.300 0.189 0.000 1.232 266 M CA -0.399 54.962 55.300 0.103 0.000 0.877 266 M CB 2.237 34.952 32.600 0.191 0.000 1.726 266 M HN 1.177 nan 8.290 nan 0.000 0.463 267 H N 0.960 120.065 119.070 0.057 0.000 2.974 267 H HA 0.442 4.998 4.556 0.000 0.000 0.366 267 H C -1.928 173.452 175.328 0.087 0.000 1.155 267 H CA -0.471 55.607 56.048 0.050 0.000 1.186 267 H CB 1.720 31.490 29.762 0.013 0.000 1.799 267 H HN 0.631 nan 8.280 nan 0.000 0.541 268 D N 4.545 124.674 120.400 -0.453 0.000 2.479 268 D HA 0.012 4.652 4.640 0.000 0.000 0.218 268 D C 0.723 176.727 176.300 -0.494 0.000 1.131 268 D CA -0.189 53.634 54.000 -0.295 0.000 0.916 268 D CB -0.032 40.622 40.800 -0.245 0.000 1.022 268 D HN 0.601 nan 8.370 nan 0.000 0.515 269 Y N 1.317 121.379 120.300 -0.397 0.000 2.333 269 Y HA -0.091 4.459 4.550 0.000 0.000 0.290 269 Y C 1.213 176.879 175.900 -0.390 0.000 1.144 269 Y CA 1.039 58.956 58.100 -0.304 0.000 1.228 269 Y CB -0.397 37.987 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 -0.026 4.314 4.340 0.000 0.000 0.205 270 L C 2.534 179.170 176.870 -0.390 0.000 1.083 270 L CA 1.340 55.758 54.840 -0.704 0.000 0.790 270 L CB -0.637 41.032 42.059 -0.650 0.000 0.942 270 L HN 0.400 nan 8.230 nan 0.000 0.452 271 T N -3.544 110.833 114.554 -0.295 0.000 2.978 271 T HA 0.013 4.363 4.350 0.000 0.000 0.262 271 T C 1.856 176.449 174.700 -0.179 0.000 1.063 271 T CA 0.779 62.757 62.100 -0.203 0.000 1.140 271 T CB -0.380 68.389 68.868 -0.166 0.000 0.886 271 T HN 0.299 nan 8.240 nan 0.000 0.470 272 G N 1.459 110.122 108.800 -0.228 0.000 2.404 272 G HA2 0.444 4.404 3.960 0.000 0.000 0.214 272 G HA3 0.444 4.404 3.960 0.000 0.000 0.214 272 G C 0.814 175.686 174.900 -0.046 0.000 1.189 272 G CA 0.278 45.312 45.100 -0.111 0.000 0.789 272 G HN 1.206 nan 8.290 nan 0.000 0.533 273 G N -2.168 106.563 108.800 -0.116 0.000 2.428 273 G HA2 0.077 4.038 3.960 0.000 0.000 0.681 273 G HA3 0.077 4.038 3.960 0.000 0.000 0.681 273 G C 0.029 174.883 174.900 -0.077 0.000 1.340 273 G CA -0.211 44.809 45.100 -0.133 0.000 0.915 273 G HN 0.054 nan 8.290 nan 0.000 0.645 274 F N 0.486 120.494 119.950 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 60.257 58.000 0.112 0.000 1.307 274 F CB -0.585 38.470 39.000 0.091 0.000 1.019 274 F HN 0.534 nan 8.300 nan 0.000 0.489 275 T N -0.108 114.572 114.554 0.210 0.000 2.708 275 T HA -0.202 4.148 4.350 0.000 0.000 0.266 275 T C 2.303 177.030 174.700 0.045 0.000 1.037 275 T CA 1.518 63.680 62.100 0.103 0.000 1.146 275 T CB -0.670 68.243 68.868 0.075 0.000 0.865 275 T HN 0.277 nan 8.240 nan 0.000 0.435 276 A N 1.783 124.632 122.820 0.048 0.000 1.930 276 A HA -0.103 4.217 4.320 0.000 0.000 0.217 276 A C 2.249 179.784 177.584 -0.081 0.000 1.175 276 A CA 1.465 53.496 52.037 -0.011 0.000 0.627 276 A CB -0.730 18.286 19.000 0.027 0.000 0.815 276 A HN 0.549 nan 8.150 nan 0.000 0.443 277 N N -0.311 118.415 118.700 0.043 0.000 2.120 277 N HA -0.145 4.595 4.740 0.000 0.000 0.188 277 N C 1.545 177.029 175.510 -0.043 0.000 1.024 277 N CA 1.995 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 -0.202 114.336 114.554 -0.026 0.000 2.788 278 T HA -0.083 4.267 4.350 0.000 0.000 0.268 278 T C 1.829 176.310 174.700 -0.366 0.000 1.044 278 T CA 1.561 63.557 62.100 -0.174 0.000 1.139 278 T CB -0.546 68.238 68.868 -0.140 0.000 0.867 278 T HN 0.302 nan 8.240 nan 0.000 0.454 279 T N 2.084 116.502 114.554 -0.227 0.000 2.746 279 T HA -0.020 4.330 4.350 0.000 0.000 0.267 279 T C 1.861 176.514 174.700 -0.077 0.000 1.039 279 T CA 0.809 62.812 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 0.952 122.103 121.223 -0.121 0.000 2.093 280 L HA 0.057 4.397 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 1.659 56.456 54.840 -0.072 0.000 0.755 280 L CB -0.957 40.955 42.059 -0.246 0.000 0.904 280 L HN 0.182 nan 8.230 nan 0.000 0.435 281 S N -1.507 114.189 115.700 -0.006 0.000 2.368 281 S HA -0.240 4.230 4.470 0.000 0.000 0.225 281 S C 2.077 176.777 174.600 0.166 0.000 1.030 281 S CA 1.343 59.578 58.200 0.057 0.000 0.999 281 S CB -0.394 62.833 63.200 0.044 0.000 0.844 281 S HN 0.659 nan 8.310 nan 0.000 0.459 282 H N -0.719 118.361 119.070 0.017 0.000 2.357 282 H HA 0.010 4.566 4.556 0.000 0.000 0.301 282 H C 1.748 177.083 175.328 0.011 0.000 1.082 282 H CA 1.547 57.597 56.048 0.003 0.000 1.342 282 H CB -1.029 28.741 29.762 0.014 0.000 1.389 282 H HN 0.639 nan 8.280 nan 0.000 0.511 283 Y N 0.448 120.806 120.300 0.097 0.000 2.224 283 Y HA -0.243 4.308 4.550 0.000 0.000 0.289 283 Y C 2.405 178.329 175.900 0.039 0.000 1.146 283 Y CA 1.322 59.450 58.100 0.047 0.000 1.182 283 Y CB -0.537 37.933 38.460 0.016 0.000 0.983 283 Y HN 0.151 nan 8.280 nan 0.000 0.524 284 C N 0.126 119.489 119.300 0.104 0.000 2.440 284 C HA -0.103 4.357 4.460 0.000 0.000 0.278 284 C C 2.729 177.721 174.990 0.003 0.000 1.295 284 C CA 1.312 60.370 59.018 0.067 0.000 1.738 284 C CB -1.179 26.632 27.740 0.119 0.000 1.987 284 C HN 0.577 nan 8.230 nan 0.000 0.492 285 R N 1.864 122.321 120.500 -0.071 0.000 2.081 285 R HA -0.090 4.251 4.340 0.000 0.000 0.235 285 R C 1.494 177.710 176.300 -0.140 0.000 1.131 285 R CA 1.974 57.964 56.100 -0.184 0.000 0.960 285 R CB -0.898 29.295 30.300 -0.179 0.000 0.856 285 R HN 0.399 nan 8.270 nan 0.000 0.436 286 D N -0.208 120.098 120.400 -0.157 0.000 2.264 286 D HA -0.054 4.586 4.640 0.000 0.000 0.208 286 D C 0.383 176.561 176.300 -0.202 0.000 0.966 286 D CA 0.914 54.809 54.000 -0.175 0.000 0.864 286 D CB -0.009 40.675 40.800 -0.193 0.000 0.933 286 D HN 0.371 nan 8.370 nan 0.000 0.499 287 N N -0.688 117.857 118.700 -0.258 0.000 2.200 287 N HA 0.135 4.875 4.740 0.000 0.000 0.224 287 N C 0.803 176.280 175.510 -0.055 0.000 1.179 287 N CA 0.300 53.225 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 0.109 0.000 0.736 288 G HN 0.253 nan 8.290 nan 0.000 0.513 289 L N -0.086 121.191 121.223 0.091 0.000 2.307 289 L HA 0.589 4.929 4.340 0.000 0.000 0.282 289 L C 1.022 177.888 176.870 -0.007 0.000 1.051 289 L CA -1.046 53.804 54.840 0.018 0.000 0.804 289 L CB 1.372 43.476 42.059 0.074 0.000 1.197 289 L HN 0.038 nan 8.230 nan 0.000 0.431 290 L N 3.652 124.782 121.223 -0.156 0.000 2.371 290 L HA 0.287 4.627 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 -0.371 54.357 54.840 -0.187 0.000 0.816 290 L CB 1.187 43.079 42.059 -0.279 0.000 1.129 290 L HN 0.382 nan 8.230 nan 0.000 0.448 291 L N 3.079 124.194 121.223 -0.180 0.000 2.319 291 L HA 0.359 4.699 4.340 0.000 0.000 0.281 291 L C -0.559 176.105 176.870 -0.344 0.000 1.005 291 L CA -0.229 54.494 54.840 -0.195 0.000 0.828 291 L CB 1.041 43.053 42.059 -0.080 0.000 1.227 291 L HN 0.456 nan 8.230 nan 0.000 0.415 292 H N 5.413 124.162 119.070 -0.535 0.000 2.527 292 H HA 0.587 5.143 4.556 0.000 0.000 0.321 292 H C -0.905 174.268 175.328 -0.259 0.000 1.087 292 H CA -0.490 55.205 56.048 -0.587 0.000 1.337 292 H CB 0.758 29.941 29.762 -0.966 0.000 1.440 292 H HN 0.518 nan 8.280 nan 0.000 0.490 293 I N 5.509 125.680 120.570 -0.663 0.000 2.404 293 I HA 0.179 4.349 4.170 0.000 0.000 0.293 293 I C 0.080 175.929 176.117 -0.447 0.000 0.992 293 I CA -0.518 60.542 61.300 -0.400 0.000 1.149 293 I CB 1.249 39.034 38.000 -0.358 0.000 1.315 293 I HN 0.697 nan 8.210 nan 0.000 0.446 294 H N 5.826 124.782 119.070 -0.189 0.000 2.463 294 H HA 0.366 4.922 4.556 0.000 0.000 0.332 294 H C 0.326 175.635 175.328 -0.032 0.000 1.127 294 H CA -0.414 55.487 56.048 -0.244 0.000 1.238 294 H CB 1.904 31.538 29.762 -0.212 0.000 1.478 294 H HN 0.482 nan 8.280 nan 0.000 0.499 295 R N 1.610 122.169 120.500 0.098 0.000 2.586 295 R HA 0.458 4.798 4.340 0.000 0.000 0.306 295 R C 0.234 176.595 176.300 0.103 0.000 1.079 295 R CA -0.572 55.619 56.100 0.152 0.000 1.083 295 R CB 0.152 30.476 30.300 0.039 0.000 1.306 295 R HN 0.337 nan 8.270 nan 0.000 0.567 296 A N 1.659 124.504 122.820 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 0.909 52.939 52.037 -0.013 0.000 0.760 296 A CB -0.210 18.726 19.000 -0.106 0.000 0.946 296 A HN 0.870 nan 8.150 nan 0.000 0.512 297 M N 0.612 120.193 119.600 -0.032 0.000 3.019 297 M HA -0.289 4.191 4.480 0.000 0.000 0.214 297 M C 0.851 177.109 176.300 -0.070 0.000 0.577 297 M CA 1.863 57.115 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 -1.115 117.898 119.070 -0.096 0.000 2.389 298 H HA 0.343 4.899 4.556 0.000 0.000 0.299 298 H C 1.739 177.029 175.328 -0.064 0.000 1.081 298 H CA 1.618 57.628 56.048 -0.063 0.000 1.345 298 H CB -0.411 29.348 29.762 -0.005 0.000 1.393 298 H HN 0.478 nan 8.280 nan 0.000 0.520 299 A N 1.173 123.494 122.820 -0.833 0.000 2.172 299 A HA 0.015 4.335 4.320 0.000 0.000 0.216 299 A C 2.282 179.715 177.584 -0.252 0.000 1.154 299 A CA 1.021 52.719 52.037 -0.564 0.000 0.701 299 A CB -0.649 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 2.022 178.069 176.094 -0.079 0.000 1.080 300 V CA 1.718 63.949 62.300 -0.116 0.000 1.102 300 V CB -0.391 31.372 31.823 -0.101 0.000 0.705 300 V HN 0.620 nan 8.190 nan 0.000 0.475 301 I N 0.368 120.890 120.570 -0.080 0.000 3.616 301 I HA 0.042 4.212 4.170 0.000 0.000 0.296 301 I C 1.570 177.675 176.117 -0.019 0.000 1.226 301 I CA 0.778 62.048 61.300 -0.050 0.000 1.394 301 I CB 0.145 38.102 38.000 -0.071 0.000 1.171 301 I HN 0.421 nan 8.210 nan 0.000 0.442 302 D N -0.276 120.107 120.400 -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 -0.016 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 0.264 120.744 120.500 -0.034 0.000 2.057 303 R HA 0.029 4.369 4.340 0.000 0.000 0.229 303 R C 0.464 176.785 176.300 0.034 0.000 1.136 303 R CA 1.131 57.218 56.100 -0.021 0.000 0.952 303 R CB -0.171 30.095 30.300 -0.057 0.000 0.848 303 R HN 0.047 nan 8.270 nan 0.000 0.430 304 Q N 0.772 120.602 119.800 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 56.052 55.803 0.076 0.000 0.893 304 Q CB 1.445 30.230 28.738 0.077 0.000 1.215 304 Q HN 0.204 nan 8.270 nan 0.000 0.425 305 K N 2.164 122.629 120.400 0.108 0.000 2.366 305 K HA -0.088 4.232 4.320 0.000 0.000 0.198 305 K C 1.017 177.686 176.600 0.114 0.000 1.044 305 K CA 0.984 57.344 56.287 0.121 0.000 0.973 305 K CB 0.398 32.961 32.500 0.104 0.000 0.767 305 K HN 0.544 nan 8.250 nan 0.000 0.475 306 N N -1.064 117.707 118.700 0.118 0.000 2.356 306 N HA -0.080 4.660 4.740 0.000 0.000 0.178 306 N C -0.389 175.232 175.510 0.185 0.000 1.075 306 N CA 0.280 53.404 53.050 0.124 0.000 0.889 306 N CB 0.163 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 -1.228 117.904 119.070 0.104 0.000 2.954 307 H HA 0.578 5.134 4.556 0.000 0.000 0.361 307 H C 0.048 175.477 175.328 0.168 0.000 1.122 307 H CA 0.405 56.546 56.048 0.155 0.000 1.217 307 H CB 1.610 31.449 29.762 0.128 0.000 1.776 307 H HN 0.326 nan 8.280 nan 0.000 0.533 308 G N 2.345 111.182 108.800 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 0.681 120.289 119.600 0.013 0.000 2.378 309 M HA 0.374 4.854 4.480 0.000 0.000 0.289 309 M C -0.344 175.995 176.300 0.065 0.000 1.136 309 M CA -0.806 54.499 55.300 0.008 0.000 0.917 309 M CB 2.427 34.946 32.600 -0.135 0.000 1.669 309 M HN 0.775 nan 8.290 nan 0.000 0.461 310 H N 1.623 120.713 119.070 0.032 0.000 2.679 310 H HA 0.103 4.659 4.556 0.000 0.000 0.369 310 H C 0.104 175.496 175.328 0.105 0.000 1.178 310 H CA 0.636 56.741 56.048 0.096 0.000 1.419 310 H CB 0.937 30.760 29.762 0.102 0.000 1.458 310 H HN 0.766 nan 8.280 nan 0.000 0.605 311 F N 3.964 123.622 119.950 -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 1.594 59.415 58.000 -0.298 0.000 1.313 311 F CB -0.113 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 -0.510 120.060 120.500 0.117 0.000 2.152 312 R HA -0.105 4.235 4.340 0.000 0.000 0.232 312 R C 1.735 178.011 176.300 -0.041 0.000 1.117 312 R CA 1.805 57.930 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 1.717 121.636 119.914 0.009 0.000 2.453 313 V HA -0.124 3.996 4.120 0.000 0.000 0.247 313 V C 2.354 178.470 176.094 0.036 0.000 1.048 313 V CA 1.343 63.667 62.300 0.040 0.000 1.049 313 V CB -0.309 31.541 31.823 0.046 0.000 0.672 313 V HN 0.275 nan 8.190 nan 0.000 0.457 314 L N 0.063 121.234 121.223 -0.087 0.000 2.217 314 L HA -0.037 4.303 4.340 0.000 0.000 0.211 314 L C 2.599 179.371 176.870 -0.164 0.000 1.107 314 L CA 1.158 56.004 54.840 0.011 0.000 0.783 314 L CB -0.668 41.399 42.059 0.014 0.000 0.919 314 L HN 0.346 nan 8.230 nan 0.000 0.442 315 A N 0.118 122.588 122.820 -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 52.813 52.037 -0.522 0.000 0.632 315 A CB -0.160 18.434 19.000 -0.676 0.000 0.819 315 A HN 0.243 nan 8.150 nan 0.000 0.445 316 K N -0.154 120.213 120.400 -0.054 0.000 2.057 316 K HA -0.045 4.275 4.320 0.000 0.000 0.206 316 K C 2.291 178.899 176.600 0.014 0.000 1.050 316 K CA 1.077 57.434 56.287 0.115 0.000 0.935 316 K CB -0.317 32.289 32.500 0.176 0.000 0.715 316 K HN 0.413 nan 8.250 nan 0.000 0.439 317 A N 1.830 124.635 122.820 -0.025 0.000 1.978 317 A HA -0.163 4.157 4.320 0.000 0.000 0.220 317 A C 2.024 179.567 177.584 -0.069 0.000 1.170 317 A CA 1.118 53.067 52.037 -0.148 0.000 0.636 317 A CB -0.503 18.431 19.000 -0.111 0.000 0.810 317 A HN 0.251 nan 8.150 nan 0.000 0.448 318 L N -0.491 120.731 121.223 -0.001 0.000 2.072 318 L HA -0.053 4.288 4.340 0.000 0.000 0.205 318 L C 2.413 179.168 176.870 -0.192 0.000 1.079 318 L CA 2.136 56.891 54.840 -0.143 0.000 0.752 318 L CB -0.844 40.946 42.059 -0.449 0.000 0.906 318 L HN 0.538 nan 8.230 nan 0.000 0.436 319 R N -0.382 119.986 120.500 -0.219 0.000 2.120 319 R HA -0.150 4.190 4.340 0.000 0.000 0.234 319 R C 2.316 178.482 176.300 -0.223 0.000 1.123 319 R CA 1.216 57.145 56.100 -0.285 0.000 0.975 319 R CB -0.026 29.967 30.300 -0.512 0.000 0.866 319 R HN 0.411 nan 8.270 nan 0.000 0.446 320 L N -0.825 120.261 121.223 -0.229 0.000 2.049 320 L HA -0.089 4.251 4.340 0.000 0.000 0.203 320 L C 2.599 179.368 176.870 -0.169 0.000 1.074 320 L CA 1.316 55.929 54.840 -0.379 0.000 0.749 320 L CB -0.627 40.868 42.059 -0.939 0.000 0.907 320 L HN 0.232 nan 8.230 nan 0.000 0.439 321 S N -0.732 114.904 115.700 -0.108 0.000 2.356 321 S HA 0.004 4.474 4.470 0.000 0.000 0.223 321 S C 0.841 175.474 174.600 0.055 0.000 1.032 321 S CA 1.140 59.379 58.200 0.066 0.000 1.005 321 S CB -0.254 63.039 63.200 0.156 0.000 0.867 321 S HN 0.611 nan 8.310 nan 0.000 0.449 322 G N -1.626 107.162 108.800 -0.020 0.000 2.957 322 G HA2 0.439 4.399 3.960 0.000 0.000 0.636 322 G HA3 0.439 4.399 3.960 0.000 0.000 0.636 322 G C -0.337 174.514 174.900 -0.082 0.000 1.401 322 G CA -0.433 44.645 45.100 -0.036 0.000 0.941 322 G HN 1.100 nan 8.290 nan 0.000 0.610 323 G N 0.470 109.204 108.800 -0.111 0.000 2.596 323 G HA2 0.586 4.547 3.960 0.000 0.000 0.296 323 G HA3 0.586 4.547 3.960 0.000 0.000 0.296 323 G C -0.212 174.617 174.900 -0.117 0.000 1.513 323 G CA 0.179 45.196 45.100 -0.138 0.000 0.851 323 G HN 0.367 nan 8.290 nan 0.000 0.548 324 D N -0.402 119.931 120.400 -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 0.993 54.972 54.000 -0.035 0.000 0.874 324 D CB 0.423 41.194 40.800 -0.048 0.000 0.968 324 D HN 0.554 nan 8.370 nan 0.000 0.510 325 H N -0.752 118.192 119.070 -0.210 0.000 2.821 325 H HA 0.613 5.169 4.556 0.000 0.000 0.373 325 H C -0.853 174.275 175.328 -0.332 0.000 1.165 325 H CA -0.816 55.090 56.048 -0.237 0.000 1.154 325 H CB 3.154 32.770 29.762 -0.243 0.000 1.765 325 H HN -0.148 nan 8.280 nan 0.000 0.549 326 I N 1.517 122.004 120.570 -0.138 0.000 2.644 326 I HA 0.137 4.307 4.170 0.000 0.000 0.291 326 I C -0.684 175.389 176.117 -0.073 0.000 1.180 326 I CA -0.526 60.678 61.300 -0.161 0.000 1.040 326 I CB 1.840 39.760 38.000 -0.133 0.000 1.255 326 I HN 0.683 nan 8.210 nan 0.000 0.422 327 H N 5.049 123.979 119.070 -0.233 0.000 2.964 327 H HA 0.098 4.654 4.556 0.000 0.000 0.328 327 H C 0.467 175.705 175.328 -0.150 0.000 1.030 327 H CA 0.809 56.742 56.048 -0.191 0.000 1.445 327 H CB 1.001 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 1.907 117.560 115.700 -0.078 0.000 2.847 328 S HA 0.330 4.800 4.470 0.000 0.000 0.254 328 S C 0.753 175.415 174.600 0.104 0.000 1.039 328 S CA 0.057 58.306 58.200 0.082 0.000 1.113 328 S CB 0.960 64.355 63.200 0.324 0.000 1.092 328 S HN 1.085 nan 8.310 nan 0.000 0.620 329 G N 1.222 109.996 108.800 -0.044 0.000 2.661 329 G HA2 -0.037 3.923 3.960 0.000 0.000 0.685 329 G HA3 -0.037 3.923 3.960 0.000 0.000 0.685 329 G C 0.230 175.149 174.900 0.032 0.000 1.298 329 G CA 0.189 45.295 45.100 0.010 0.000 0.855 329 G HN 1.069 nan 8.290 nan 0.000 0.560 330 T N -3.321 111.252 114.554 0.030 0.000 2.959 330 T HA 0.491 4.841 4.350 0.000 0.000 0.254 330 T C 1.770 176.521 174.700 0.085 0.000 1.003 330 T CA 1.313 63.442 62.100 0.049 0.000 0.950 330 T CB 0.560 69.361 68.868 -0.113 0.000 1.090 330 T HN 2.271 nan 8.240 nan 0.000 0.503 331 V N 0.870 120.816 119.914 0.052 0.000 0.542 331 V HA -0.335 3.785 4.120 0.000 0.000 0.092 331 V C 2.052 178.152 176.094 0.009 0.000 2.107 331 V CA 2.143 64.458 62.300 0.025 0.000 3.514 331 V CB -1.828 29.987 31.823 -0.013 0.000 0.805 331 V HN 0.770 nan 8.190 nan 0.000 0.840 332 V N -0.674 119.219 119.914 -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 -0.225 31.533 31.823 -0.109 0.000 0.870 332 V HN 0.951 nan 8.190 nan 0.000 0.453 333 G N 1.237 109.933 108.800 -0.173 0.000 2.630 333 G HA2 0.286 4.246 3.960 0.000 0.000 0.223 333 G HA3 0.286 4.246 3.960 0.000 0.000 0.223 333 G C 0.696 175.336 174.900 -0.432 0.000 1.434 333 G CA -0.019 44.906 45.100 -0.292 0.000 1.057 333 G HN 0.471 nan 8.290 nan 0.000 0.570 334 K N -1.096 118.824 120.400 -0.799 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 0.384 56.191 56.287 -0.800 0.000 0.986 334 K CB -0.215 31.765 32.500 -0.867 0.000 0.782 334 K HN 0.211 nan 8.250 nan 0.000 0.485 335 L N 1.663 122.764 121.223 -0.203 0.000 2.342 335 L HA 0.323 4.663 4.340 0.000 0.000 0.271 335 L C -0.121 176.719 176.870 -0.050 0.000 1.008 335 L CA -1.170 53.604 54.840 -0.110 0.000 0.818 335 L CB 1.942 43.955 42.059 -0.076 0.000 1.296 335 L HN 0.109 nan 8.230 nan 0.000 0.427 336 E N 0.928 121.110 120.200 -0.030 0.000 2.437 336 E HA 0.347 4.697 4.350 0.000 0.000 0.263 336 E C -0.227 176.403 176.600 0.050 0.000 1.030 336 E CA 0.410 56.820 56.400 0.015 0.000 0.934 336 E CB 0.604 30.311 29.700 0.012 0.000 0.943 336 E HN 0.758 nan 8.360 nan 0.000 0.444 337 G N 3.900 112.745 108.800 0.075 0.000 1.882 337 G HA2 0.005 3.965 3.960 0.000 0.000 0.256 337 G HA3 0.005 3.965 3.960 0.000 0.000 0.256 337 G C -1.159 173.789 174.900 0.081 0.000 2.065 337 G CA -0.780 44.382 45.100 0.105 0.000 0.882 337 G HN 0.391 nan 8.290 nan 0.000 0.574 338 E N 1.595 121.849 120.200 0.091 0.000 2.354 338 E HA 0.183 4.533 4.350 0.000 0.000 0.269 338 E C 1.368 177.968 176.600 0.001 0.000 1.036 338 E CA -0.603 55.830 56.400 0.055 0.000 0.876 338 E CB 1.997 31.742 29.700 0.074 0.000 1.009 338 E HN 0.624 nan 8.360 nan 0.000 0.416 339 R N 2.146 122.630 120.500 -0.027 0.000 2.080 339 R HA -0.200 4.140 4.340 0.000 0.000 0.236 339 R C 0.897 177.131 176.300 -0.110 0.000 1.137 339 R CA 1.973 58.022 56.100 -0.086 0.000 0.943 339 R CB 0.089 30.343 30.300 -0.077 0.000 0.846 339 R HN 0.422 nan 8.270 nan 0.000 0.431 340 D N 0.159 120.519 120.400 -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 55.106 54.000 -0.066 0.000 0.826 340 D CB -0.106 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 0.484 121.036 120.570 -0.030 0.000 2.315 341 I HA -0.228 3.942 4.170 0.000 0.000 0.248 341 I C 2.113 178.118 176.117 -0.186 0.000 1.117 341 I CA 0.958 62.267 61.300 0.014 0.000 1.404 341 I CB -0.183 37.917 38.000 0.167 0.000 1.071 341 I HN 0.010 nan 8.210 nan 0.000 0.419 342 T N 1.257 115.617 114.554 -0.325 0.000 2.737 342 T HA -0.100 4.250 4.350 0.000 0.000 0.265 342 T C 1.928 176.228 174.700 -0.668 0.000 1.038 342 T CA 1.150 62.782 62.100 -0.779 0.000 1.144 342 T CB -0.289 68.366 68.868 -0.355 0.000 0.866 342 T HN 0.236 nan 8.240 nan 0.000 0.434 343 L N 0.750 121.762 121.223 -0.352 0.000 2.187 343 L HA -0.037 4.303 4.340 0.000 0.000 0.213 343 L C 2.852 179.626 176.870 -0.161 0.000 1.100 343 L CA 1.089 55.786 54.840 -0.238 0.000 0.765 343 L CB -0.849 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 0.940 109.646 108.800 -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 1.283 176.234 174.900 0.085 0.000 1.188 344 G CA 0.848 45.935 45.100 -0.022 0.000 0.783 344 G HN 0.479 nan 8.290 nan 0.000 0.537 345 F N 0.601 120.649 119.950 0.163 0.000 2.558 345 F HA 0.276 4.803 4.527 0.000 0.000 0.298 345 F C 2.076 177.969 175.800 0.155 0.000 1.119 345 F CA -0.194 57.913 58.000 0.178 0.000 1.451 345 F CB -0.786 38.358 39.000 0.242 0.000 1.091 345 F HN -0.015 nan 8.300 nan 0.000 0.563 346 V N 1.159 121.176 119.914 0.171 0.000 2.427 346 V HA -0.222 3.898 4.120 0.000 0.000 0.248 346 V C 2.034 178.219 176.094 0.152 0.000 1.051 346 V CA 2.204 64.634 62.300 0.216 0.000 1.048 346 V CB -0.623 31.291 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 0.103 121.445 121.223 0.197 0.000 2.201 348 L HA -0.086 4.254 4.340 0.000 0.000 0.212 348 L C 2.304 179.241 176.870 0.111 0.000 1.105 348 L CA 0.445 55.450 54.840 0.275 0.000 0.775 348 L CB -0.119 42.134 42.059 0.324 0.000 0.913 348 L HN 0.048 nan 8.230 nan 0.000 0.440 349 L N -1.054 120.197 121.223 0.047 0.000 2.162 349 L HA -0.050 4.290 4.340 0.000 0.000 0.205 349 L C 2.620 179.386 176.870 -0.173 0.000 1.086 349 L CA 0.892 55.670 54.840 -0.103 0.000 0.778 349 L CB -0.162 41.906 42.059 0.014 0.000 0.928 349 L HN 0.161 nan 8.230 nan 0.000 0.446 350 R N -0.955 119.506 120.500 -0.064 0.000 2.175 350 R HA 0.085 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 0.088 56.154 56.100 -0.055 0.000 1.029 350 R CB 0.157 30.464 30.300 0.011 0.000 0.959 350 R HN 0.229 nan 8.270 nan 0.000 0.480 351 D N 0.277 120.681 120.400 0.007 0.000 2.388 351 D HA 0.013 4.653 4.640 0.000 0.000 0.254 351 D C 0.200 176.589 176.300 0.149 0.000 1.111 351 D CA -0.151 53.899 54.000 0.083 0.000 0.993 351 D CB 1.068 41.948 40.800 0.134 0.000 1.118 351 D HN -0.131 nan 8.370 nan 0.000 0.502 352 D N -1.483 119.051 120.400 0.223 0.000 2.333 352 D HA -0.040 4.600 4.640 0.000 0.000 0.208 352 D C -0.794 175.788 176.300 0.472 0.000 0.984 352 D CA 0.326 54.525 54.000 0.331 0.000 0.873 352 D CB 0.259 41.194 40.800 0.225 0.000 0.935 352 D HN 0.302 nan 8.370 nan 0.000 0.521 353 Y N -0.645 119.798 120.300 0.237 0.000 2.436 353 Y HA 0.406 4.956 4.550 0.000 0.000 0.327 353 Y C -1.681 174.311 175.900 0.153 0.000 1.138 353 Y CA -0.745 57.455 58.100 0.167 0.000 1.042 353 Y CB 1.605 40.125 38.460 0.100 0.000 1.302 353 Y HN -0.303 nan 8.280 nan 0.000 0.439 354 T N 5.534 119.873 114.554 -0.357 0.000 2.928 354 T HA 0.263 4.613 4.350 0.000 0.000 0.296 354 T C -1.122 173.311 174.700 -0.445 0.000 1.000 354 T CA -0.703 61.255 62.100 -0.237 0.000 0.989 354 T CB 1.561 70.428 68.868 -0.003 0.000 1.005 354 T HN 0.662 nan 8.240 nan 0.000 0.442 355 E N 2.102 122.106 120.200 -0.326 0.000 2.313 355 E HA 0.280 4.630 4.350 0.000 0.000 0.272 355 E C 0.131 176.678 176.600 -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 30.465 29.700 -0.061 0.000 1.060 355 E HN 0.434 nan 8.360 nan 0.000 0.402 356 K N 2.398 122.768 120.400 -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 0.790 57.061 56.287 -0.026 0.000 1.048 356 K CB 0.299 32.791 32.500 -0.013 0.000 0.879 356 K HN 0.418 nan 8.250 nan 0.000 0.491 357 D N 3.605 123.965 120.400 -0.066 0.000 2.491 357 D HA 0.114 4.754 4.640 0.000 0.000 0.232 357 D C 0.223 176.452 176.300 -0.117 0.000 1.334 357 D CA -0.446 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 0.677 121.071 120.500 -0.176 0.000 2.200 358 R HA -0.089 4.251 4.340 0.000 0.000 0.234 358 R C 1.796 178.000 176.300 -0.160 0.000 1.127 358 R CA 1.218 57.165 56.100 -0.255 0.000 0.989 358 R CB -0.575 29.555 30.300 -0.284 0.000 0.869 358 R HN 0.500 nan 8.270 nan 0.000 0.459 359 S N 0.323 115.964 115.700 -0.098 0.000 2.447 359 S HA -0.063 4.407 4.470 0.000 0.000 0.233 359 S C 1.608 176.177 174.600 -0.050 0.000 1.006 359 S CA 0.615 58.776 58.200 -0.064 0.000 0.957 359 S CB -0.010 63.163 63.200 -0.045 0.000 0.773 359 S HN 0.307 nan 8.310 nan 0.000 0.507 360 R N 0.281 120.749 120.500 -0.052 0.000 2.432 360 R HA 0.325 4.665 4.340 0.000 0.000 0.260 360 R C 1.220 177.512 176.300 -0.012 0.000 0.935 360 R CA 0.334 56.418 56.100 -0.028 0.000 1.080 360 R CB 0.336 30.622 30.300 -0.022 0.000 1.155 360 R HN 0.532 nan 8.270 nan 0.000 0.531 361 G N 1.814 110.584 108.800 -0.050 0.000 2.143 361 G HA2 -0.265 3.695 3.960 0.000 0.000 0.248 361 G HA3 -0.265 3.695 3.960 0.000 0.000 0.248 361 G C 0.121 175.077 174.900 0.093 0.000 0.991 361 G CA -0.192 44.906 45.100 -0.005 0.000 0.689 361 G HN 0.273 nan 8.290 nan 0.000 0.522 362 I N 1.012 121.591 120.570 0.015 0.000 2.287 362 I HA 0.306 4.476 4.170 0.000 0.000 0.290 362 I C 1.254 177.382 176.117 0.019 0.000 1.069 362 I CA -0.937 60.421 61.300 0.098 0.000 1.237 362 I CB 0.458 38.493 38.000 0.060 0.000 1.418 362 I HN 0.060 nan 8.210 nan 0.000 0.481 363 Y N 5.342 125.580 120.300 -0.103 0.000 2.457 363 Y HA 0.134 4.684 4.550 0.000 0.000 0.292 363 Y C 0.294 175.922 175.900 -0.454 0.000 1.125 363 Y CA 0.433 58.345 58.100 -0.313 0.000 1.254 363 Y CB -0.143 37.999 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 0.414 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 -1.630 56.439 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 1.571 116.232 114.554 0.179 0.000 2.851 365 T HA 0.334 4.684 4.350 0.000 0.000 0.298 365 T C -0.624 174.036 174.700 -0.067 0.000 0.977 365 T CA -0.167 61.920 62.100 -0.023 0.000 1.126 365 T CB 0.845 69.691 68.868 -0.036 0.000 0.916 365 T HN 0.430 nan 8.240 nan 0.000 0.529 366 Q N 2.037 121.723 119.800 -0.190 0.000 2.340 366 Q HA 0.552 4.892 4.340 0.000 0.000 0.268 366 Q C -1.184 174.632 176.000 -0.306 0.000 1.031 366 Q CA -0.392 55.250 55.803 -0.269 0.000 0.804 366 Q CB 1.477 30.053 28.738 -0.271 0.000 1.286 366 Q HN 0.594 nan 8.270 nan 0.000 0.448 367 S N 2.997 118.524 115.700 -0.288 0.000 2.537 367 S HA 0.466 4.936 4.470 0.000 0.000 0.301 367 S C -0.757 173.654 174.600 -0.315 0.000 1.092 367 S CA -0.522 57.632 58.200 -0.077 0.000 1.048 367 S CB 0.609 63.864 63.200 0.092 0.000 1.053 367 S HN 0.821 nan 8.310 nan 0.000 0.501 368 W N 0.821 122.172 121.300 0.085 0.000 2.870 368 W HA 0.226 4.887 4.660 0.000 0.000 0.358 368 W C 0.516 177.059 176.519 0.040 0.000 1.043 368 W CA -0.515 56.857 57.345 0.044 0.000 1.692 368 W CB -0.074 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 -0.157 119.882 119.914 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 -2.139 113.652 115.700 0.152 0.000 3.382 370 S HA -0.204 4.266 4.470 0.000 0.000 0.293 370 S C 0.651 175.305 174.600 0.089 0.000 1.262 370 S CA 1.312 59.576 58.200 0.107 0.000 0.969 370 S CB -1.812 61.430 63.200 0.070 0.000 1.136 370 S HN 1.487 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 -1.766 172.920 174.700 -0.023 0.000 0.989 371 T CA -0.485 61.656 62.100 0.069 0.000 1.159 371 T CB 0.367 69.322 68.868 0.145 0.000 0.928 371 T HN 0.104 nan 8.240 nan 0.000 0.538 372 P HA 0.214 nan 4.420 nan 0.000 0.269 372 P C 0.377 177.593 177.300 -0.140 0.000 1.217 372 P CA -0.258 62.804 63.100 -0.064 0.000 0.783 372 P CB 0.377 32.051 31.700 -0.043 0.000 0.898 373 G N 0.199 108.930 108.800 -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 0.353 nan 8.290 nan 0.000 0.528 374 V N 1.540 121.367 119.914 -0.145 0.000 2.472 374 V HA 0.276 4.396 4.120 0.000 0.000 0.290 374 V C -0.115 175.941 176.094 -0.063 0.000 1.037 374 V CA -0.870 61.369 62.300 -0.102 0.000 0.908 374 V CB 1.555 33.290 31.823 -0.145 0.000 0.985 374 V HN 0.538 nan 8.190 nan 0.000 0.454 375 L N 8.418 129.614 121.223 -0.044 0.000 2.313 375 L HA 0.440 4.780 4.340 0.000 0.000 0.282 375 L C -2.026 174.763 176.870 -0.134 0.000 1.092 375 L CA -1.591 53.195 54.840 -0.089 0.000 0.831 375 L CB 0.950 42.922 42.059 -0.146 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 -1.134 175.974 177.300 -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 2.824 122.525 119.914 -0.354 0.000 2.357 377 V HA 0.486 4.606 4.120 0.000 0.000 0.284 377 V C 0.516 176.263 176.094 -0.578 0.000 1.018 377 V CA -0.835 61.185 62.300 -0.467 0.000 0.841 377 V CB 1.145 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 3.950 126.397 122.820 -0.622 0.000 2.269 378 A HA 0.786 5.106 4.320 0.000 0.000 0.302 378 A C 0.134 177.435 177.584 -0.472 0.000 1.266 378 A CA -0.157 51.547 52.037 -0.555 0.000 0.894 378 A CB 0.809 19.444 19.000 -0.609 0.000 1.147 378 A HN 0.922 nan 8.150 nan 0.000 0.537 379 S N 1.826 117.300 115.700 -0.377 0.000 2.543 379 S HA 0.721 5.191 4.470 0.000 0.000 0.271 379 S C -0.498 173.994 174.600 -0.179 0.000 1.148 379 S CA 0.389 58.405 58.200 -0.306 0.000 0.914 379 S CB 1.224 64.267 63.200 -0.263 0.000 1.096 379 S HN 2.534 nan 8.310 nan 0.000 0.471 380 G N 1.752 110.444 108.800 -0.180 0.000 2.421 380 G HA2 0.458 4.419 3.960 0.000 0.000 0.360 380 G HA3 0.458 4.419 3.960 0.000 0.000 0.360 380 G C 0.840 175.598 174.900 -0.236 0.000 1.219 380 G CA 0.349 45.357 45.100 -0.155 0.000 1.257 380 G HN 2.165 nan 8.290 nan 0.000 0.609 381 G N -0.085 108.602 108.800 -0.189 0.000 2.147 381 G HA2 -0.056 3.904 3.960 0.000 0.000 0.244 381 G HA3 -0.056 3.904 3.960 0.000 0.000 0.244 381 G C 0.576 175.458 174.900 -0.030 0.000 1.005 381 G CA 0.820 45.796 45.100 -0.208 0.000 0.713 381 G HN 2.171 nan 8.290 nan 0.000 0.515 382 I N -1.841 118.710 120.570 -0.032 0.000 2.676 382 I HA 0.955 5.125 4.170 0.000 0.000 0.309 382 I C 0.248 176.585 176.117 0.366 0.000 0.990 382 I CA -1.324 60.034 61.300 0.097 0.000 1.168 382 I CB 1.577 39.504 38.000 -0.122 0.000 1.343 382 I HN 0.339 nan 8.210 nan 0.000 0.482 383 H N 0.928 120.320 119.070 0.536 0.000 2.942 383 H HA 0.429 4.985 4.556 0.000 0.000 0.316 383 H C 0.655 176.033 175.328 0.084 0.000 1.323 383 H CA -0.478 55.618 56.048 0.081 0.000 1.144 383 H CB 0.694 30.246 29.762 -0.351 0.000 1.866 383 H HN 0.379 nan 8.280 nan 0.000 0.545 384 V N -2.763 117.191 119.914 0.067 0.000 2.363 384 V HA -0.306 3.814 4.120 0.000 0.000 0.254 384 V C 1.296 177.341 176.094 -0.081 0.000 1.074 384 V CA 2.028 64.262 62.300 -0.110 0.000 1.069 384 V CB -1.265 30.410 31.823 -0.247 0.000 0.659 384 V HN 0.810 nan 8.190 nan 0.000 0.455 385 W N -0.442 120.954 121.300 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 0.978 58.338 57.345 0.025 0.000 1.262 385 W CB -0.368 29.130 29.460 0.062 0.000 1.122 385 W HN 0.367 nan 8.180 nan 0.000 0.607 386 H N -0.908 118.235 119.070 0.122 0.000 2.551 386 H HA 0.023 4.579 4.556 0.000 0.000 0.266 386 H C 1.896 177.294 175.328 0.116 0.000 0.964 386 H CA 0.813 56.904 56.048 0.071 0.000 1.180 386 H CB -0.262 29.488 29.762 -0.020 0.000 1.408 386 H HN 0.154 nan 8.280 nan 0.000 0.563 387 M N 1.376 121.112 119.600 0.227 0.000 2.108 387 M HA -0.092 4.388 4.480 0.000 0.000 0.257 387 M C -0.918 175.471 176.300 0.149 0.000 1.071 387 M CA 1.695 57.101 55.300 0.176 0.000 1.093 387 M CB -0.843 31.802 32.600 0.075 0.000 1.345 387 M HN 0.081 nan 8.290 nan 0.000 0.403 388 P HA -0.015 nan 4.420 nan 0.000 0.217 388 P C 1.052 178.419 177.300 0.111 0.000 1.151 388 P CA 1.928 65.097 63.100 0.114 0.000 0.828 388 P CB -0.234 31.535 31.700 0.115 0.000 0.788 389 A N -0.565 122.334 122.820 0.131 0.000 1.898 389 A HA -0.147 4.173 4.320 0.000 0.000 0.216 389 A C 2.166 179.802 177.584 0.087 0.000 1.181 389 A CA 1.356 53.452 52.037 0.099 0.000 0.620 389 A CB -1.634 17.437 19.000 0.119 0.000 0.819 389 A HN 0.094 nan 8.150 nan 0.000 0.442 390 L N -0.762 120.548 121.223 0.145 0.000 2.017 390 L HA -0.155 4.185 4.340 0.000 0.000 0.208 390 L C 2.737 179.733 176.870 0.211 0.000 1.073 390 L CA 1.795 56.763 54.840 0.214 0.000 0.745 390 L CB -0.931 41.258 42.059 0.218 0.000 0.894 390 L HN 0.327 nan 8.230 nan 0.000 0.432 391 T N -1.202 113.444 114.554 0.153 0.000 2.833 391 T HA -0.193 4.157 4.350 0.000 0.000 0.269 391 T C 1.795 176.548 174.700 0.088 0.000 1.054 391 T CA 1.150 63.326 62.100 0.126 0.000 1.135 391 T CB -0.086 68.842 68.868 0.100 0.000 0.869 391 T HN 0.337 nan 8.240 nan 0.000 0.466 392 E N 0.772 121.007 120.200 0.057 0.000 2.076 392 E HA -0.021 4.329 4.350 0.000 0.000 0.190 392 E C 2.179 178.749 176.600 -0.050 0.000 0.979 392 E CA 0.662 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 0.480 nan 8.360 nan 0.000 0.454 393 I N -0.016 120.480 120.570 -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 1.030 62.123 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 0.496 120.438 119.950 -0.013 0.000 2.446 394 F HA 0.318 4.845 4.527 0.000 0.000 0.292 394 F C 1.577 177.375 175.800 -0.004 0.000 1.096 394 F CA 0.683 58.673 58.000 -0.016 0.000 1.438 394 F CB -0.736 38.249 39.000 -0.026 0.000 1.107 394 F HN 0.147 nan 8.300 nan 0.000 0.546 395 G N 0.524 109.419 108.800 0.159 0.000 2.725 395 G HA2 -0.249 3.711 3.960 0.000 0.000 0.220 395 G HA3 -0.249 3.711 3.960 0.000 0.000 0.220 395 G C 0.114 175.078 174.900 0.106 0.000 1.357 395 G CA -0.108 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 1.484 55.524 54.000 0.067 0.000 0.834 396 D CB -0.097 40.742 40.800 0.065 0.000 0.955 396 D HN 0.404 nan 8.370 nan 0.000 0.465 397 D N 0.693 121.129 120.400 0.060 0.000 2.558 397 D HA 0.180 4.820 4.640 0.000 0.000 0.221 397 D C -0.005 176.302 176.300 0.012 0.000 1.143 397 D CA 0.072 54.094 54.000 0.037 0.000 1.010 397 D CB 0.027 40.852 40.800 0.041 0.000 1.068 397 D HN 0.030 nan 8.370 nan 0.000 0.511 398 S N -1.222 114.459 115.700 -0.030 0.000 2.611 398 S HA 0.594 5.064 4.470 0.000 0.000 0.268 398 S C -1.019 173.494 174.600 -0.145 0.000 1.156 398 S CA -0.917 57.208 58.200 -0.125 0.000 0.817 398 S CB 1.734 64.847 63.200 -0.145 0.000 1.122 398 S HN -0.069 nan 8.310 nan 0.000 0.466 399 V N 1.676 121.451 119.914 -0.231 0.000 2.444 399 V HA 0.491 4.611 4.120 0.000 0.000 0.294 399 V C -0.860 175.100 176.094 -0.223 0.000 1.022 399 V CA -0.598 61.607 62.300 -0.159 0.000 0.850 399 V CB 1.212 32.928 31.823 -0.178 0.000 0.992 399 V HN 0.809 nan 8.190 nan 0.000 0.426 400 L N 5.134 126.264 121.223 -0.154 0.000 2.272 400 L HA 0.590 4.930 4.340 0.000 0.000 0.289 400 L C -0.167 176.490 176.870 -0.354 0.000 1.032 400 L CA -0.334 54.336 54.840 -0.283 0.000 0.810 400 L CB 1.370 43.363 42.059 -0.110 0.000 1.205 400 L HN 0.613 nan 8.230 nan 0.000 0.422 401 Q N 3.195 122.662 119.800 -0.555 0.000 2.316 401 Q HA 0.555 4.896 4.340 0.000 0.000 0.264 401 Q C -1.502 174.102 176.000 -0.661 0.000 0.987 401 Q CA -0.432 55.118 55.803 -0.422 0.000 0.852 401 Q CB 2.436 31.043 28.738 -0.219 0.000 1.287 401 Q HN 0.399 nan 8.270 nan 0.000 0.448 402 F N 0.906 120.825 119.950 -0.052 0.000 2.532 402 F HA 0.367 4.894 4.527 0.000 0.000 0.365 402 F C 0.851 176.624 175.800 -0.045 0.000 1.112 402 F CA -0.686 57.279 58.000 -0.058 0.000 1.082 402 F CB 1.306 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 1.559 110.403 108.800 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 0.754 nan 8.290 nan 0.000 0.551 404 G N 0.643 109.478 108.800 0.059 0.000 2.432 404 G HA2 0.094 4.054 3.960 0.000 0.000 0.219 404 G HA3 0.094 4.054 3.960 0.000 0.000 0.219 404 G C 1.664 176.600 174.900 0.060 0.000 1.135 404 G CA 1.282 46.430 45.100 0.079 0.000 0.767 404 G HN 0.668 nan 8.290 nan 0.000 0.550 405 G N -0.665 108.116 108.800 -0.031 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 1.564 46.535 45.100 -0.214 0.000 0.788 405 G HN 0.413 nan 8.290 nan 0.000 0.531 406 T N 0.011 114.642 114.554 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 -0.011 68.902 68.868 0.075 0.000 1.032 406 T HN 0.057 nan 8.240 nan 0.000 0.442 407 L N 1.652 122.955 121.223 0.133 0.000 2.622 407 L HA 0.265 4.605 4.340 0.000 0.000 0.233 407 L C 2.193 179.173 176.870 0.182 0.000 1.156 407 L CA 0.825 55.738 54.840 0.121 0.000 0.866 407 L CB -0.225 41.875 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 0.528 175.637 174.900 0.349 0.000 1.142 408 G CA -0.290 45.031 45.100 0.368 0.000 0.759 408 G HN 0.273 nan 8.290 nan 0.000 0.550 409 H N 2.034 121.242 119.070 0.230 0.000 2.815 409 H HA 0.092 4.648 4.556 0.000 0.000 0.350 409 H C -1.044 174.254 175.328 -0.050 0.000 1.080 409 H CA -1.168 54.889 56.048 0.016 0.000 1.433 409 H CB 2.011 31.782 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 0.697 178.259 177.300 0.437 0.000 1.146 410 P CA 1.115 64.253 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 57.918 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 0.073 nan 8.180 nan 0.000 0.648 412 G N 0.692 109.639 108.800 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 -0.041 nan 8.290 nan 0.000 0.504 413 N N 0.031 118.726 118.700 -0.008 0.000 2.106 413 N HA 0.040 4.781 4.740 0.000 0.000 0.188 413 N C 2.745 178.196 175.510 -0.099 0.000 1.029 413 N CA 2.562 55.584 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 1.612 124.368 122.820 -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 -1.601 17.330 19.000 -0.114 0.000 0.826 414 A HN 0.228 nan 8.150 nan 0.000 0.444 415 P HA -0.051 nan 4.420 nan 0.000 0.218 415 P C 1.626 178.589 177.300 -0.561 0.000 1.149 415 P CA 1.548 64.485 63.100 -0.271 0.000 0.817 415 P CB -0.278 31.323 31.700 -0.165 0.000 0.785 416 G N 0.044 108.525 108.800 -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 1.587 176.395 174.900 -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 1.586 53.560 52.037 -0.106 0.000 0.620 417 A CB -0.613 18.334 19.000 -0.089 0.000 0.821 417 A HN 0.221 nan 8.150 nan 0.000 0.443 418 V N 0.198 120.040 119.914 -0.120 0.000 2.332 418 V HA -0.304 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 1.984 64.229 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 0.631 123.362 122.820 -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 2.603 54.548 52.037 -0.153 0.000 0.623 419 A CB -0.909 18.056 19.000 -0.058 0.000 0.826 419 A HN 0.691 nan 8.150 nan 0.000 0.444 420 N N -1.277 117.289 118.700 -0.225 0.000 2.188 420 N HA -0.144 4.596 4.740 0.000 0.000 0.184 420 N C 1.926 177.321 175.510 -0.192 0.000 1.018 420 N CA 1.337 54.186 53.050 -0.335 0.000 0.858 420 N CB -0.146 38.035 38.487 -0.511 0.000 0.989 420 N HN 0.442 nan 8.380 nan 0.000 0.426 421 R N 1.034 121.464 120.500 -0.117 0.000 2.075 421 R HA 0.023 4.363 4.340 0.000 0.000 0.232 421 R C 1.671 177.956 176.300 -0.026 0.000 1.126 421 R CA 0.993 57.060 56.100 -0.054 0.000 0.963 421 R CB -0.668 29.609 30.300 -0.038 0.000 0.858 421 R HN 0.029 nan 8.270 nan 0.000 0.435 422 V N 0.723 120.615 119.914 -0.037 0.000 2.307 422 V HA -0.143 3.977 4.120 0.000 0.000 0.245 422 V C 2.324 178.399 176.094 -0.031 0.000 1.045 422 V CA 1.815 64.121 62.300 0.011 0.000 1.024 422 V CB -0.855 30.936 31.823 -0.053 0.000 0.651 422 V HN 0.528 nan 8.190 nan 0.000 0.449 423 A N -0.203 122.545 122.820 -0.120 0.000 1.908 423 A HA -0.241 4.079 4.320 0.000 0.000 0.218 423 A C 2.179 179.736 177.584 -0.045 0.000 1.181 423 A CA 2.333 54.293 52.037 -0.128 0.000 0.627 423 A CB -0.581 18.300 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 -0.101 4.239 4.340 0.000 0.000 0.206 424 L C 2.221 179.116 176.870 0.042 0.000 1.074 424 L CA 2.314 57.168 54.840 0.023 0.000 0.745 424 L CB -0.534 41.545 42.059 0.034 0.000 0.898 424 L HN 0.491 nan 8.230 nan 0.000 0.433 425 E N -0.367 119.862 120.200 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 0.767 123.648 122.820 0.103 0.000 1.902 426 A HA -0.185 4.135 4.320 0.000 0.000 0.217 426 A C 2.410 180.043 177.584 0.083 0.000 1.181 426 A CA 1.134 53.245 52.037 0.123 0.000 0.623 426 A CB -0.737 18.335 19.000 0.121 0.000 0.818 426 A HN 0.347 nan 8.150 nan 0.000 0.443 427 C N -1.429 117.908 119.300 0.062 0.000 2.440 427 C HA -0.016 4.444 4.460 0.000 0.000 0.278 427 C C 2.725 177.750 174.990 0.059 0.000 1.295 427 C CA 0.858 59.912 59.018 0.061 0.000 1.738 427 C CB -1.195 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 0.638 120.587 119.914 0.058 0.000 2.295 428 V HA -0.281 3.839 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 2.237 64.569 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 0.623 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 2.263 178.289 176.000 0.043 0.000 0.984 429 Q CA 2.221 58.050 55.803 0.043 0.000 0.846 429 Q CB -0.311 28.453 28.738 0.044 0.000 0.902 429 Q HN 0.623 nan 8.270 nan 0.000 0.421 430 A N 1.508 124.359 122.820 0.052 0.000 1.865 430 A HA -0.256 4.064 4.320 0.000 0.000 0.217 430 A C 2.162 179.772 177.584 0.043 0.000 1.191 430 A CA 1.743 53.810 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 0.034 120.560 120.500 0.044 0.000 2.083 431 R HA -0.171 4.169 4.340 0.000 0.000 0.237 431 R C 1.893 178.213 176.300 0.033 0.000 1.137 431 R CA 1.981 58.104 56.100 0.039 0.000 0.951 431 R CB -0.603 29.723 30.300 0.042 0.000 0.851 431 R HN 0.723 nan 8.270 nan 0.000 0.434 432 N N 0.003 118.723 118.700 0.033 0.000 2.289 432 N HA -0.153 4.587 4.740 0.000 0.000 0.184 432 N C 1.102 176.626 175.510 0.024 0.000 1.016 432 N CA 1.033 54.100 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 1.052 177.664 176.600 0.021 0.000 1.047 433 E CA 0.187 56.600 56.400 0.022 0.000 0.867 433 E CB 0.357 30.071 29.700 0.023 0.000 0.858 433 E HN 0.470 nan 8.360 nan 0.000 0.513 434 G N 1.452 110.266 108.800 0.024 0.000 2.231 434 G HA2 -0.216 3.744 3.960 0.000 0.000 0.206 434 G HA3 -0.216 3.744 3.960 0.000 0.000 0.206 434 G C 0.269 175.183 174.900 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 -0.748 175.572 176.300 0.033 0.000 1.061 435 R CA -0.120 55.999 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 3.044 123.463 120.400 0.032 0.000 2.428 436 D HA 0.061 4.701 4.640 0.000 0.000 0.221 436 D C 1.231 177.553 176.300 0.038 0.000 1.123 436 D CA -0.176 53.842 54.000 0.031 0.000 0.869 436 D CB 0.774 41.590 40.800 0.026 0.000 1.032 436 D HN 0.417 nan 8.370 nan 0.000 0.506 437 L N 2.956 124.204 121.223 0.041 0.000 2.187 437 L HA -0.198 4.142 4.340 0.000 0.000 0.213 437 L C 2.377 179.279 176.870 0.053 0.000 1.100 437 L CA 1.215 56.085 54.840 0.051 0.000 0.765 437 L CB -0.310 41.781 42.059 0.053 0.000 0.904 437 L HN 0.409 nan 8.230 nan 0.000 0.437 438 A N 0.184 123.027 122.820 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 1.372 53.431 52.037 0.036 0.000 0.620 438 A CB -0.272 18.742 19.000 0.022 0.000 0.819 438 A HN 0.327 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 1.183 177.508 176.300 0.043 0.000 1.091 439 R CA 1.100 57.220 56.100 0.033 0.000 1.007 439 R CB -0.036 30.279 30.300 0.026 0.000 0.912 439 R HN 0.572 nan 8.270 nan 0.000 0.450 440 E N 0.265 120.494 120.200 0.048 0.000 2.437 440 E HA 0.081 4.431 4.350 0.000 0.000 0.189 440 E C 1.415 178.062 176.600 0.078 0.000 1.054 440 E CA 0.086 56.521 56.400 0.058 0.000 0.874 440 E CB 0.586 30.318 29.700 0.053 0.000 1.011 440 E HN 0.386 nan 8.360 nan 0.000 0.474 441 G N 2.711 111.562 108.800 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 1.193 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 -0.311 118.500 118.700 0.186 0.000 2.309 442 N HA -0.054 4.686 4.740 0.000 0.000 0.182 442 N C 2.166 177.819 175.510 0.239 0.000 1.018 442 N CA 1.179 54.406 53.050 0.296 0.000 0.876 442 N CB -0.087 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 1.165 115.804 114.554 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 -0.096 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 0.897 121.521 120.570 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 -0.354 37.688 38.000 0.070 0.000 1.051 444 I HN 0.178 nan 8.210 nan 0.000 0.409 445 I N 0.472 121.050 120.570 0.012 0.000 2.202 445 I HA -0.252 3.918 4.170 0.000 0.000 0.242 445 I C 2.675 178.697 176.117 -0.158 0.000 1.091 445 I CA 1.456 62.669 61.300 -0.144 0.000 1.368 445 I CB -1.230 36.598 38.000 -0.286 0.000 1.058 445 I HN 0.213 nan 8.210 nan 0.000 0.410 446 R N 1.406 121.913 120.500 0.012 0.000 2.091 446 R HA -0.180 4.160 4.340 0.000 0.000 0.238 446 R C 2.140 178.432 176.300 -0.013 0.000 1.136 446 R CA 1.555 57.685 56.100 0.050 0.000 0.959 446 R CB -0.286 30.107 30.300 0.154 0.000 0.856 446 R HN 0.424 nan 8.270 nan 0.000 0.437 447 E N -0.685 119.525 120.200 0.016 0.000 2.077 447 E HA -0.169 4.181 4.350 0.000 0.000 0.193 447 E C 1.903 178.492 176.600 -0.018 0.000 0.989 447 E CA 1.222 57.650 56.400 0.046 0.000 0.800 447 E CB -0.192 29.571 29.700 0.106 0.000 0.746 447 E HN 0.483 nan 8.360 nan 0.000 0.452 448 A N 1.315 124.055 122.820 -0.133 0.000 1.969 448 A HA -0.172 4.148 4.320 0.000 0.000 0.218 448 A C 2.419 179.495 177.584 -0.847 0.000 1.169 448 A CA 1.875 53.596 52.037 -0.528 0.000 0.635 448 A CB -1.053 17.702 19.000 -0.408 0.000 0.810 448 A HN 0.402 nan 8.150 nan 0.000 0.445 449 T N -2.313 111.964 114.554 -0.463 0.000 2.946 449 T HA -0.112 4.238 4.350 0.000 0.000 0.271 449 T C 1.528 176.047 174.700 -0.302 0.000 1.104 449 T CA 1.425 63.296 62.100 -0.383 0.000 1.114 449 T CB -0.238 68.489 68.868 -0.235 0.000 0.867 449 T HN 0.299 nan 8.240 nan 0.000 0.513 450 K N 0.779 121.033 120.400 -0.243 0.000 2.288 450 K HA 0.055 4.375 4.320 0.000 0.000 0.201 450 K C 1.707 178.318 176.600 0.019 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 -0.837 120.461 121.300 -0.003 0.000 2.714 451 W HA 0.391 5.051 4.660 0.000 0.000 0.353 451 W C -0.139 176.382 176.519 0.003 0.000 0.999 451 W CA -0.518 56.828 57.345 0.003 0.000 1.629 451 W CB -0.021 29.440 29.460 0.001 0.000 1.106 451 W HN -0.153 nan 8.180 nan 0.000 0.545 452 S N 2.708 118.137 115.700 -0.452 0.000 2.622 452 S HA 0.401 4.871 4.470 0.000 0.000 0.283 452 S C -1.637 172.836 174.600 -0.212 0.000 1.197 452 S CA -1.204 56.782 58.200 -0.357 0.000 1.146 452 S CB 1.284 64.034 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 0.907 178.120 177.300 -0.144 0.000 1.148 453 P CA 1.032 64.152 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 -0.694 119.426 120.200 -0.134 0.000 2.051 454 E HA -0.153 4.197 4.350 0.000 0.000 0.192 454 E C 1.836 178.277 176.600 -0.264 0.000 0.991 454 E CA 0.796 57.030 56.400 -0.277 0.000 0.799 454 E CB -1.248 28.373 29.700 -0.131 0.000 0.748 454 E HN 0.102 nan 8.360 nan 0.000 0.449 455 L N 0.622 121.678 121.223 -0.278 0.000 2.046 455 L HA -0.057 4.283 4.340 0.000 0.000 0.208 455 L C 2.046 178.710 176.870 -0.344 0.000 1.077 455 L CA 2.039 56.690 54.840 -0.314 0.000 0.747 455 L CB -1.045 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 1.873 456 A HA -0.241 4.079 4.320 0.000 0.000 0.218 456 A C 2.464 179.860 177.584 -0.313 0.000 1.193 456 A CA 2.430 54.303 52.037 -0.273 0.000 0.629 456 A CB -1.345 17.541 19.000 -0.190 0.000 0.826 456 A HN 0.600 nan 8.150 nan 0.000 0.447 457 A N -0.646 121.902 122.820 -0.452 0.000 1.972 457 A HA 0.206 4.526 4.320 0.000 0.000 0.219 457 A C 2.448 179.611 177.584 -0.701 0.000 1.169 457 A CA 2.009 53.687 52.037 -0.599 0.000 0.635 457 A CB -0.844 17.551 19.000 -1.009 0.000 0.810 457 A HN 1.092 nan 8.150 nan 0.000 0.446 458 A N -1.191 121.227 122.820 -0.670 0.000 1.929 458 A HA -0.096 4.224 4.320 0.000 0.000 0.216 458 A C 2.256 179.625 177.584 -0.360 0.000 1.176 458 A CA 1.425 53.105 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 -0.333 118.795 119.300 -0.287 0.000 2.413 459 C HA -0.131 4.329 4.460 0.000 0.000 0.276 459 C C 2.661 177.708 174.990 0.095 0.000 1.248 459 C CA 1.332 60.285 59.018 -0.108 0.000 1.742 459 C CB -1.290 26.330 27.740 -0.200 0.000 2.017 459 C HN 0.695 nan 8.230 nan 0.000 0.481 460 E N 0.167 120.301 120.200 -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 -0.219 0.000 0.997 460 E CA 1.593 57.918 56.400 -0.125 0.000 0.801 460 E CB -0.235 29.359 29.700 -0.178 0.000 0.746 460 E HN 0.492 nan 8.360 nan 0.000 0.450 461 V N 0.258 119.894 119.914 -0.463 0.000 2.343 461 V HA -0.204 3.916 4.120 0.000 0.000 0.247 461 V C 1.400 177.132 176.094 -0.603 0.000 1.051 461 V CA 1.347 63.228 62.300 -0.699 0.000 1.036 461 V CB -0.342 30.692 31.823 -1.316 0.000 0.654 461 V HN 0.442 nan 8.190 nan 0.000 0.451 462 W N -0.366 120.860 121.300 -0.123 0.000 3.005 462 W HA 0.331 4.992 4.660 0.000 0.000 0.374 462 W C 1.898 178.337 176.519 -0.134 0.000 1.076 462 W CA -0.783 56.412 57.345 -0.250 0.000 1.794 462 W CB -0.335 28.738 29.460 -0.644 0.000 1.113 462 W HN 0.279 nan 8.180 nan 0.000 0.584 463 K N 1.521 122.009 120.400 0.146 0.000 2.107 463 K HA -0.227 4.093 4.320 0.000 0.000 0.211 463 K C 1.136 177.609 176.600 -0.213 0.000 1.049 463 K CA 1.908 58.136 56.287 -0.100 0.000 0.927 463 K CB 0.216 32.663 32.500 -0.089 0.000 0.714 463 K HN -0.117 nan 8.250 nan 0.000 0.452 464 E N 0.418 120.552 120.200 -0.111 0.000 2.444 464 E HA 0.046 4.396 4.350 0.000 0.000 0.191 464 E C -0.241 176.312 176.600 -0.079 0.000 1.041 464 E CA 0.041 56.373 56.400 -0.113 0.000 0.883 464 E CB 0.377 30.019 29.700 -0.097 0.000 1.024 464 E HN 0.254 nan 8.360 nan 0.000 0.470 465 I N 1.673 122.229 120.570 -0.024 0.000 2.325 465 I HA 0.252 4.422 4.170 0.000 0.000 0.291 465 I C 0.416 176.546 176.117 0.021 0.000 1.019 465 I CA -0.189 61.094 61.300 -0.029 0.000 1.302 465 I CB 0.357 38.385 38.000 0.047 0.000 1.401 465 I HN -0.270 nan 8.210 nan 0.000 0.485 466 K N 5.426 125.701 120.400 -0.209 0.000 2.482 466 K HA 0.627 4.947 4.320 0.000 0.000 0.257 466 K C -1.580 174.813 176.600 -0.344 0.000 0.969 466 K CA -0.625 55.607 56.287 -0.091 0.000 0.842 466 K CB 2.742 35.223 32.500 -0.033 0.000 1.359 466 K HN 0.186 nan 8.250 nan 0.000 0.441 467 F N 1.562 121.632 119.950 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 1.630 40.782 39.000 0.252 0.000 1.276 467 F HN 0.265 nan 8.300 nan 0.000 0.446 468 E N 3.955 124.250 120.200 0.158 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 -0.541 55.891 56.400 0.054 0.000 0.782 468 E CB 2.014 31.688 29.700 -0.043 0.000 1.214 468 E HN 0.307 nan 8.360 nan 0.000 0.417 469 F N 1.516 121.515 119.950 0.081 0.000 2.643 469 F HA 0.432 4.959 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 -1.937 56.101 58.000 0.063 0.000 0.953 469 F CB 0.819 39.861 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 -1.130 176.257 177.300 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 0.114 0.000 0.901 471 A N 2.690 125.575 122.820 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 0.407 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 0.175 176.524 176.300 0.082 0.000 1.122 472 M CA 0.873 56.211 55.300 0.064 0.000 1.157 472 M CB -1.122 31.505 32.600 0.045 0.000 1.352 472 M HN 0.833 nan 8.290 nan 0.000 0.464 473 D N 2.053 122.514 120.400 0.102 0.000 2.427 473 D HA 0.308 4.949 4.640 0.000 0.000 0.226 473 D C -0.655 175.737 176.300 0.154 0.000 1.076 473 D CA -0.051 54.036 54.000 0.146 0.000 0.849 473 D CB 1.040 41.946 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 0.539 4.889 4.350 0.000 0.000 0.292 474 T C 0.401 175.159 174.700 0.095 0.000 1.064 474 T CA -0.871 61.291 62.100 0.104 0.000 1.011 474 T CB 0.980 69.893 68.868 0.074 0.000 1.152 474 T HN 0.097 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