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_E 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 0.730 116.449 115.700 0.032 0.000 3.494 10 S HA -0.011 4.459 4.470 0.001 0.000 0.161 10 S C 0.556 175.185 174.600 0.049 0.000 0.413 10 S CA 0.465 58.692 58.200 0.046 0.000 1.399 10 S CB -1.809 61.420 63.200 0.048 0.000 1.004 10 S HN 2.202 nan 8.310 nan 0.000 0.280 11 V N 3.252 123.194 119.914 0.046 0.000 2.999 11 V HA 0.516 4.636 4.120 0.001 0.000 0.307 11 V C 1.448 177.584 176.094 0.070 0.000 1.084 11 V CA 0.550 62.877 62.300 0.045 0.000 1.155 11 V CB 0.478 32.323 31.823 0.037 0.000 0.975 11 V HN 1.064 nan 8.190 nan 0.000 0.490 12 G N 4.030 112.868 108.800 0.064 0.000 2.750 12 G HA2 0.174 4.135 3.960 0.001 0.000 0.250 12 G HA3 0.174 4.135 3.960 0.001 0.000 0.250 12 G C -0.751 174.245 174.900 0.160 0.000 1.230 12 G CA -0.093 45.063 45.100 0.095 0.000 0.883 12 G HN 0.947 nan 8.290 nan 0.000 0.573 13 F N 0.153 120.123 119.950 0.033 0.000 2.436 13 F HA 0.699 5.226 4.527 0.001 0.000 0.340 13 F C -0.189 175.628 175.800 0.028 0.000 1.113 13 F CA -1.724 56.307 58.000 0.051 0.000 1.022 13 F CB 2.130 41.187 39.000 0.095 0.000 1.128 13 F HN 0.333 nan 8.300 nan 0.000 0.466 14 K N 5.423 125.500 120.400 -0.538 0.000 2.613 14 K HA 0.712 5.032 4.320 0.001 0.000 0.248 14 K C -1.136 175.038 176.600 -0.709 0.000 0.959 14 K CA -0.377 55.558 56.287 -0.586 0.000 0.855 14 K CB 1.210 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 0.629 4.949 4.320 0.001 0.000 0.242 15 A C 0.561 178.012 177.584 -0.222 0.000 1.088 15 A CA 0.854 52.610 52.037 -0.467 0.000 0.784 15 A CB -0.458 18.374 19.000 -0.279 0.000 1.038 15 A HN 1.444 nan 8.150 nan 0.000 0.501 16 G N -1.936 106.785 108.800 -0.133 0.000 2.428 16 G HA2 0.443 4.404 3.960 0.001 0.000 0.681 16 G HA3 0.443 4.404 3.960 0.001 0.000 0.681 16 G C -0.567 174.270 174.900 -0.106 0.000 1.340 16 G CA -0.155 44.887 45.100 -0.098 0.000 0.915 16 G HN 2.254 nan 8.290 nan 0.000 0.645 17 V N 0.032 119.905 119.914 -0.069 0.000 2.509 17 V HA 0.938 5.058 4.120 0.001 0.000 0.284 17 V C 0.209 176.259 176.094 -0.072 0.000 1.047 17 V CA 0.379 62.633 62.300 -0.078 0.000 0.952 17 V CB 1.198 33.039 31.823 0.029 0.000 0.988 17 V HN 1.334 nan 8.190 nan 0.000 0.469 18 K N 2.928 123.265 120.400 -0.105 0.000 2.480 18 K HA 0.568 4.889 4.320 0.001 0.000 0.258 18 K C -1.233 175.287 176.600 -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 0.513 nan 8.250 nan 0.000 0.446 19 D N 1.080 121.432 120.400 -0.080 0.000 2.472 19 D HA -0.003 4.637 4.640 0.001 0.000 0.237 19 D C 0.578 176.875 176.300 -0.005 0.000 1.141 19 D CA 0.281 54.241 54.000 -0.066 0.000 0.875 19 D CB 0.202 41.000 40.800 -0.003 0.000 1.192 19 D HN 0.438 nan 8.370 nan 0.000 0.450 20 Y N 1.293 121.629 120.300 0.060 0.000 2.293 20 Y HA -0.180 4.370 4.550 0.001 0.000 0.291 20 Y C 2.240 178.251 175.900 0.185 0.000 1.137 20 Y CA 1.100 59.284 58.100 0.139 0.000 1.202 20 Y CB -0.302 38.178 38.460 0.033 0.000 0.990 20 Y HN 0.464 nan 8.280 nan 0.000 0.537 21 K N 0.289 120.839 120.400 0.250 0.000 2.211 21 K HA -0.146 4.174 4.320 0.001 0.000 0.204 21 K C 1.618 178.331 176.600 0.189 0.000 1.047 21 K CA 1.622 58.039 56.287 0.215 0.000 0.935 21 K CB -0.723 31.851 32.500 0.122 0.000 0.728 21 K HN 0.317 nan 8.250 nan 0.000 0.452 22 L N 1.054 122.356 121.223 0.130 0.000 2.131 22 L HA -0.113 4.228 4.340 0.001 0.000 0.210 22 L C 1.596 178.483 176.870 0.030 0.000 1.092 22 L CA 1.472 56.355 54.840 0.071 0.000 0.759 22 L CB -0.560 41.524 42.059 0.041 0.000 0.903 22 L HN 0.376 nan 8.230 nan 0.000 0.435 23 T N -3.078 111.489 114.554 0.021 0.000 2.978 23 T HA 0.054 4.404 4.350 0.001 0.000 0.248 23 T C 1.044 175.514 174.700 -0.384 0.000 1.018 23 T CA 0.156 62.126 62.100 -0.217 0.000 1.026 23 T CB 0.170 68.816 68.868 -0.370 0.000 1.032 23 T HN 0.142 nan 8.240 nan 0.000 0.485 24 Y N -0.164 120.195 120.300 0.099 0.000 2.467 24 Y HA 0.413 4.963 4.550 0.001 0.000 0.250 24 Y C -0.002 175.973 175.900 0.125 0.000 1.155 24 Y CA -1.112 57.036 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 0.918 121.278 120.300 0.100 0.000 2.342 25 Y HA 0.504 5.055 4.550 0.001 0.000 0.338 25 Y C -0.383 175.550 175.900 0.055 0.000 0.965 25 Y CA -1.343 56.799 58.100 0.069 0.000 1.159 25 Y CB 1.180 39.669 38.460 0.047 0.000 1.157 25 Y HN -0.170 nan 8.280 nan 0.000 0.486 26 T N 9.578 123.973 114.554 -0.266 0.000 3.418 26 T HA 0.177 4.528 4.350 0.001 0.000 0.315 26 T C -2.039 172.553 174.700 -0.181 0.000 1.447 26 T CA -0.840 61.133 62.100 -0.212 0.000 1.641 26 T CB 0.773 69.589 68.868 -0.087 0.000 0.904 26 T HN 0.497 nan 8.240 nan 0.000 0.640 27 P HA -0.036 nan 4.420 nan 0.000 0.228 27 P C 0.868 178.178 177.300 0.017 0.000 1.151 27 P CA 0.895 63.886 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 -1.405 118.795 120.200 0.000 0.000 2.447 28 E HA -0.035 4.315 4.350 0.001 0.000 0.195 28 E C 0.429 177.070 176.600 0.068 0.000 1.028 28 E CA -0.385 56.033 56.400 0.031 0.000 0.876 28 E CB -0.407 29.295 29.700 0.003 0.000 0.885 28 E HN 0.330 nan 8.360 nan 0.000 0.500 29 Y N 2.701 122.985 120.300 -0.027 0.000 2.712 29 Y HA -0.079 4.471 4.550 0.001 0.000 0.333 29 Y C 0.195 176.032 175.900 -0.106 0.000 1.225 29 Y CA 0.337 58.401 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 3.743 123.498 120.200 -0.741 0.000 2.156 30 E HA 0.191 4.541 4.350 0.001 0.000 0.279 30 E C -0.430 175.497 176.600 -1.121 0.000 0.965 30 E CA -0.710 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 1.009 115.096 114.554 -0.777 0.000 2.918 31 T HA 0.299 4.650 4.350 0.001 0.000 0.302 31 T C 0.395 174.888 174.700 -0.346 0.000 1.045 31 T CA -0.565 61.193 62.100 -0.571 0.000 1.114 31 T CB 0.474 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 1.875 122.988 121.223 -0.184 0.000 2.399 32 L HA 0.341 4.681 4.340 0.001 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 0.610 42.651 42.059 -0.029 0.000 1.180 32 L HN 0.675 nan 8.230 nan 0.000 0.454 33 D N -0.362 120.012 120.400 -0.044 0.000 2.371 33 D HA -0.077 4.563 4.640 0.001 0.000 0.221 33 D C 1.602 177.896 176.300 -0.010 0.000 0.986 33 D CA 1.023 55.006 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 -2.801 111.755 114.554 0.004 0.000 3.069 34 T HA 0.065 4.416 4.350 0.001 0.000 0.252 34 T C 0.502 175.224 174.700 0.036 0.000 1.053 34 T CA -0.526 61.590 62.100 0.026 0.000 0.964 34 T CB 0.544 69.435 68.868 0.038 0.000 1.005 34 T HN -0.254 nan 8.240 nan 0.000 0.532 35 D N 1.517 121.938 120.400 0.036 0.000 2.345 35 D HA 0.395 5.035 4.640 0.001 0.000 0.247 35 D C -0.375 175.941 176.300 0.026 0.000 1.108 35 D CA -0.529 53.515 54.000 0.073 0.000 0.894 35 D CB 0.842 41.695 40.800 0.089 0.000 1.203 35 D HN 0.161 nan 8.370 nan 0.000 0.430 36 I N 2.414 123.027 120.570 0.071 0.000 2.342 36 I HA 0.162 4.332 4.170 0.001 0.000 0.291 36 I C -0.121 176.051 176.117 0.091 0.000 1.010 36 I CA -0.154 61.123 61.300 -0.039 0.000 1.308 36 I CB 0.638 38.517 38.000 -0.201 0.000 1.400 36 I HN 0.082 nan 8.210 nan 0.000 0.488 37 L N 6.226 127.391 121.223 -0.097 0.000 2.331 37 L HA 0.883 5.223 4.340 0.001 0.000 0.275 37 L C -0.090 176.708 176.870 -0.121 0.000 1.022 37 L CA -0.770 54.023 54.840 -0.078 0.000 0.812 37 L CB 1.578 43.420 42.059 -0.361 0.000 1.257 37 L HN 0.636 nan 8.230 nan 0.000 0.435 38 A N 1.877 124.815 122.820 0.198 0.000 2.393 38 A HA 0.860 5.180 4.320 0.001 0.000 0.306 38 A C -0.790 176.909 177.584 0.192 0.000 1.050 38 A CA -0.540 51.581 52.037 0.140 0.000 0.724 38 A CB 1.768 20.833 19.000 0.110 0.000 1.248 38 A HN 0.739 nan 8.150 nan 0.000 0.424 39 A N 1.906 124.720 122.820 -0.011 0.000 2.277 39 A HA 0.713 5.034 4.320 0.001 0.000 0.318 39 A C -1.115 176.193 177.584 -0.461 0.000 1.339 39 A CA -0.262 51.556 52.037 -0.366 0.000 0.875 39 A CB -0.253 18.377 19.000 -0.617 0.000 1.158 39 A HN 0.607 nan 8.150 nan 0.000 0.514 40 F N 1.189 120.989 119.950 -0.250 0.000 2.421 40 F HA 0.496 5.024 4.527 0.001 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 1.654 40.562 39.000 -0.153 0.000 1.139 40 F HN 0.581 nan 8.300 nan 0.000 0.479 41 R N 3.612 124.133 120.500 0.035 0.000 2.230 41 R HA 0.530 4.871 4.340 0.001 0.000 0.337 41 R C -1.689 174.623 176.300 0.020 0.000 1.063 41 R CA -0.273 55.833 56.100 0.011 0.000 0.935 41 R CB 0.360 30.662 30.300 0.004 0.000 1.121 41 R HN 0.540 nan 8.270 nan 0.000 0.486 42 V N 3.148 123.082 119.914 0.034 0.000 2.439 42 V HA 0.279 4.400 4.120 0.001 0.000 0.282 42 V C -0.037 176.099 176.094 0.069 0.000 1.039 42 V CA -0.514 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 0.450 4.920 4.470 0.001 0.000 0.256 43 S C -2.601 172.028 174.600 0.049 0.000 1.298 43 S CA -0.977 57.255 58.200 0.054 0.000 1.166 43 S CB 1.182 64.407 63.200 0.041 0.000 1.022 43 S HN 0.587 nan 8.310 nan 0.000 0.480 44 P HA 0.194 nan 4.420 nan 0.000 0.274 44 P C -0.200 177.115 177.300 0.025 0.000 1.237 44 P CA -0.600 62.514 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 1.210 121.013 119.800 0.005 0.000 2.368 45 Q HA 0.242 4.582 4.340 0.001 0.000 0.237 45 Q C -2.059 173.946 176.000 0.007 0.000 0.987 45 Q CA -1.532 54.276 55.803 0.009 0.000 0.896 45 Q CB -0.722 28.017 28.738 0.003 0.000 1.241 45 Q HN 0.318 nan 8.270 nan 0.000 0.485 46 P HA -0.000 nan 4.420 nan 0.000 0.265 46 P C 0.441 177.741 177.300 -0.000 0.000 1.193 46 P CA 1.077 64.182 63.100 0.009 0.000 0.765 46 P CB 0.345 32.050 31.700 0.008 0.000 0.823 47 G N 1.178 109.976 108.800 -0.003 0.000 2.195 47 G HA2 -0.200 3.761 3.960 0.001 0.000 0.246 47 G HA3 -0.200 3.761 3.960 0.001 0.000 0.246 47 G C -0.045 174.840 174.900 -0.025 0.000 0.984 47 G CA -0.165 44.929 45.100 -0.011 0.000 0.633 47 G HN 0.530 nan 8.290 nan 0.000 0.525 48 V N 3.704 123.599 119.914 -0.032 0.000 2.347 48 V HA 0.522 4.643 4.120 0.001 0.000 0.280 48 V C -1.509 174.538 176.094 -0.080 0.000 1.021 48 V CA -1.433 60.833 62.300 -0.057 0.000 0.847 48 V CB 1.740 33.524 31.823 -0.064 0.000 0.990 48 V HN 0.244 nan 8.190 nan 0.000 0.444 49 P HA 0.286 nan 4.420 nan 0.000 0.278 49 P C -2.352 174.786 177.300 -0.271 0.000 1.238 49 P CA -1.751 61.250 63.100 -0.164 0.000 0.794 49 P CB 0.974 32.587 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 30.993 31.700 -1.085 0.000 0.793 51 E N -0.779 119.108 120.200 -0.522 0.000 2.130 51 E HA -0.226 4.124 4.350 0.001 0.000 0.196 51 E C 2.023 178.393 176.600 -0.384 0.000 0.998 51 E CA 1.428 57.432 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 0.367 nan 8.360 nan 0.000 0.459 52 E N 0.174 120.223 120.200 -0.253 0.000 2.112 52 E HA 0.006 4.356 4.350 0.001 0.000 0.190 52 E C 1.849 178.343 176.600 -0.177 0.000 0.979 52 E CA 1.059 57.379 56.400 -0.133 0.000 0.814 52 E CB -0.240 29.410 29.700 -0.082 0.000 0.762 52 E HN 0.207 nan 8.360 nan 0.000 0.460 53 A N 0.460 123.143 122.820 -0.227 0.000 1.865 53 A HA -0.076 4.244 4.320 0.001 0.000 0.217 53 A C 2.486 179.903 177.584 -0.279 0.000 1.191 53 A CA 1.915 53.799 52.037 -0.254 0.000 0.623 53 A CB -1.525 17.346 19.000 -0.215 0.000 0.826 53 A HN 0.421 nan 8.150 nan 0.000 0.444 54 G N -0.654 107.993 108.800 -0.255 0.000 2.440 54 G HA2 -0.009 3.951 3.960 0.001 0.000 0.218 54 G HA3 -0.009 3.951 3.960 0.001 0.000 0.218 54 G C 1.740 176.538 174.900 -0.171 0.000 1.154 54 G CA 1.556 46.530 45.100 -0.210 0.000 0.767 54 G HN 0.860 nan 8.290 nan 0.000 0.552 55 A N 1.045 123.790 122.820 -0.124 0.000 1.933 55 A HA 0.285 4.606 4.320 0.001 0.000 0.218 55 A C 2.771 180.196 177.584 -0.266 0.000 1.175 55 A CA 2.156 54.180 52.037 -0.023 0.000 0.628 55 A CB -0.636 18.442 19.000 0.130 0.000 0.814 55 A HN 0.770 nan 8.150 nan 0.000 0.444 56 A N -0.689 121.857 122.820 -0.457 0.000 1.969 56 A HA 0.076 4.396 4.320 0.001 0.000 0.218 56 A C 2.194 179.425 177.584 -0.587 0.000 1.169 56 A CA 1.582 53.034 52.037 -0.975 0.000 0.635 56 A CB -0.704 17.673 19.000 -1.037 0.000 0.810 56 A HN 0.336 nan 8.150 nan 0.000 0.445 57 V N -0.210 119.474 119.914 -0.382 0.000 2.307 57 V HA -0.213 3.907 4.120 0.001 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 -0.210 122.486 122.820 -0.205 0.000 1.933 58 A HA -0.070 4.250 4.320 0.001 0.000 0.218 58 A C 2.377 179.828 177.584 -0.222 0.000 1.175 58 A CA 2.001 53.968 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 -0.089 122.402 122.820 -0.547 0.000 1.841 59 A HA -0.111 4.209 4.320 0.001 0.000 0.214 59 A C 1.960 179.310 177.584 -0.390 0.000 1.195 59 A CA 1.942 53.411 52.037 -0.946 0.000 0.611 59 A CB -0.511 17.778 19.000 -1.185 0.000 0.835 59 A HN 0.500 nan 8.150 nan 0.000 0.443 60 E N 0.698 120.771 120.200 -0.212 0.000 2.418 60 E HA -0.073 4.277 4.350 0.001 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 4.633 4.470 0.001 0.000 0.219 61 S C 1.157 175.880 174.600 0.205 0.000 0.962 61 S CA 0.242 58.533 58.200 0.152 0.000 0.921 61 S CB 0.176 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 1.324 117.107 115.700 0.140 0.000 4.640 62 S HA 0.159 4.629 4.470 0.001 0.000 0.157 62 S C 1.335 175.979 174.600 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 63.104 63.200 0.276 0.000 1.848 62 S HN 0.509 nan 8.310 nan 0.000 0.751 63 T N -0.816 113.800 114.554 0.104 0.000 2.975 63 T HA 0.509 4.859 4.350 0.001 0.000 0.261 63 T C 0.806 175.570 174.700 0.107 0.000 0.984 63 T CA 0.395 62.556 62.100 0.103 0.000 0.911 63 T CB 0.215 69.189 68.868 0.176 0.000 1.127 63 T HN 0.745 nan 8.240 nan 0.000 0.514 64 G N 0.167 109.008 108.800 0.069 0.000 2.491 64 G HA2 0.581 4.542 3.960 0.001 0.000 0.327 64 G HA3 0.581 4.542 3.960 0.001 0.000 0.327 64 G C -0.946 174.023 174.900 0.114 0.000 1.189 64 G CA -0.364 44.803 45.100 0.113 0.000 0.956 64 G HN 0.256 nan 8.290 nan 0.000 0.491 65 T N -1.313 113.335 114.554 0.156 0.000 2.693 65 T HA 0.406 4.757 4.350 0.001 0.000 0.278 65 T C 0.685 175.530 174.700 0.242 0.000 0.994 65 T CA -0.483 61.732 62.100 0.192 0.000 1.033 65 T CB 0.832 69.750 68.868 0.084 0.000 1.342 65 T HN 0.672 nan 8.240 nan 0.000 0.538 66 W N 0.964 122.371 121.300 0.177 0.000 2.699 66 W HA 0.274 4.934 4.660 0.001 0.000 0.249 66 W C 0.246 176.756 176.519 -0.015 0.000 1.280 66 W CA 0.528 57.929 57.345 0.092 0.000 1.345 66 W CB -1.067 28.467 29.460 0.123 0.000 1.128 66 W HN 0.555 nan 8.180 nan 0.000 0.642 67 T N 0.670 114.770 114.554 -0.757 0.000 2.868 67 T HA 0.313 4.664 4.350 0.001 0.000 0.306 67 T C -0.501 173.988 174.700 -0.353 0.000 1.224 67 T CA -0.351 61.346 62.100 -0.673 0.000 1.012 67 T CB 1.680 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 2.723 117.177 114.554 -0.167 0.000 2.888 68 T HA 0.450 4.801 4.350 0.001 0.000 0.301 68 T C 0.283 175.064 174.700 0.135 0.000 1.001 68 T CA -0.267 61.842 62.100 0.014 0.000 1.147 68 T CB 0.043 68.958 68.868 0.079 0.000 0.931 68 T HN 0.726 nan 8.240 nan 0.000 0.541 69 V N 2.918 122.875 119.914 0.072 0.000 2.581 69 V HA 0.505 4.625 4.120 0.001 0.000 0.303 69 V C 1.125 177.097 176.094 -0.203 0.000 1.041 69 V CA -1.183 61.084 62.300 -0.055 0.000 0.907 69 V CB 1.427 33.127 31.823 -0.206 0.000 0.994 69 V HN 1.035 nan 8.190 nan 0.000 0.442 70 W N 2.224 123.114 121.300 -0.684 0.000 2.519 70 W HA -0.075 4.585 4.660 0.001 0.000 0.266 70 W C 1.408 177.703 176.519 -0.373 0.000 1.253 70 W CA 1.344 58.143 57.345 -0.911 0.000 1.274 70 W CB -1.687 26.964 29.460 -1.349 0.000 1.114 70 W HN 0.762 nan 8.180 nan 0.000 0.596 71 T N -1.102 112.834 114.554 -1.030 0.000 2.977 71 T HA -0.203 4.147 4.350 0.001 0.000 0.271 71 T C 1.105 175.596 174.700 -0.348 0.000 1.105 71 T CA 1.523 63.103 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 1.973 122.240 120.400 -0.221 0.000 2.221 72 D HA -0.026 4.614 4.640 0.001 0.000 0.204 72 D C 2.270 178.551 176.300 -0.031 0.000 0.982 72 D CA 1.262 55.211 54.000 -0.085 0.000 0.857 72 D CB -0.813 39.975 40.800 -0.019 0.000 0.934 72 D HN 0.614 nan 8.370 nan 0.000 0.475 73 G N -0.129 108.666 108.800 -0.008 0.000 2.598 73 G HA2 -0.100 3.861 3.960 0.001 0.000 0.215 73 G HA3 -0.100 3.861 3.960 0.001 0.000 0.215 73 G C 1.533 176.458 174.900 0.042 0.000 1.131 73 G CA -0.059 45.068 45.100 0.044 0.000 0.785 73 G HN 0.279 nan 8.290 nan 0.000 0.539 74 L N 0.797 122.025 121.223 0.007 0.000 2.492 74 L HA 0.133 4.473 4.340 0.001 0.000 0.223 74 L C 1.326 178.204 176.870 0.014 0.000 1.132 74 L CA 0.511 55.360 54.840 0.016 0.000 0.850 74 L CB -0.321 41.728 42.059 -0.017 0.000 0.966 74 L HN 0.197 nan 8.230 nan 0.000 0.454 75 T N -3.152 111.412 114.554 0.017 0.000 2.718 75 T HA 0.244 4.594 4.350 0.001 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 1.358 70.279 68.868 0.089 0.000 1.355 75 T HN -0.182 nan 8.240 nan 0.000 0.572 76 N N 0.767 119.555 118.700 0.146 0.000 2.898 76 N HA 0.230 4.970 4.740 0.001 0.000 0.245 76 N C 0.346 175.919 175.510 0.106 0.000 1.185 76 N CA -0.596 52.501 53.050 0.078 0.000 0.879 76 N CB 0.305 38.805 38.487 0.023 0.000 1.157 76 N HN 0.467 nan 8.380 nan 0.000 0.503 77 L N 2.222 123.502 121.223 0.094 0.000 2.127 77 L HA -0.085 4.256 4.340 0.001 0.000 0.211 77 L C 1.273 178.158 176.870 0.024 0.000 1.089 77 L CA 1.609 56.509 54.840 0.101 0.000 0.757 77 L CB -0.344 41.741 42.059 0.044 0.000 0.899 77 L HN 0.467 nan 8.230 nan 0.000 0.434 78 D N -1.026 119.355 120.400 -0.031 0.000 2.221 78 D HA -0.203 4.437 4.640 0.001 0.000 0.204 78 D C 2.140 178.379 176.300 -0.101 0.000 0.982 78 D CA 1.111 55.068 54.000 -0.071 0.000 0.857 78 D CB 0.033 40.797 40.800 -0.060 0.000 0.934 78 D HN 0.430 nan 8.370 nan 0.000 0.475 79 R N -1.017 119.382 120.500 -0.169 0.000 2.280 79 R HA 0.004 4.345 4.340 0.001 0.000 0.195 79 R C 0.755 176.809 176.300 -0.409 0.000 0.935 79 R CA 0.589 56.500 56.100 -0.314 0.000 1.033 79 R CB -0.081 29.956 30.300 -0.438 0.000 0.964 79 R HN 0.253 nan 8.270 nan 0.000 0.489 80 Y N 2.041 122.336 120.300 -0.008 0.000 2.483 80 Y HA 0.196 4.746 4.550 0.001 0.000 0.258 80 Y C 0.379 176.294 175.900 0.026 0.000 1.083 80 Y CA -0.567 57.533 58.100 -0.000 0.000 1.283 80 Y CB 0.364 38.819 38.460 -0.008 0.000 1.178 80 Y HN -0.010 nan 8.280 nan 0.000 0.515 81 K N 1.258 121.754 120.400 0.160 0.000 2.436 81 K HA 0.332 4.652 4.320 0.001 0.000 0.275 81 K C 0.550 177.224 176.600 0.123 0.000 0.999 81 K CA 0.168 56.567 56.287 0.186 0.000 0.980 81 K CB 0.628 33.182 32.500 0.090 0.000 0.919 81 K HN 0.132 nan 8.250 nan 0.000 0.484 82 G N 2.366 111.280 108.800 0.189 0.000 2.507 82 G HA2 0.362 4.322 3.960 0.001 0.000 0.271 82 G HA3 0.362 4.322 3.960 0.001 0.000 0.271 82 G C -0.785 174.131 174.900 0.027 0.000 1.189 82 G CA -1.056 44.036 45.100 -0.014 0.000 0.859 82 G HN 0.807 nan 8.290 nan 0.000 0.542 83 R N -0.108 120.331 120.500 -0.103 0.000 2.584 83 R HA 0.375 4.716 4.340 0.001 0.000 0.276 83 R C -1.624 174.734 176.300 0.096 0.000 1.046 83 R CA -0.743 55.357 56.100 0.001 0.000 0.906 83 R CB 0.654 30.854 30.300 -0.166 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 0.001 0.000 0.355 84 C C 0.795 175.961 174.990 0.293 0.000 1.211 84 C CA -0.476 58.675 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 3.042 123.483 120.300 0.237 0.000 2.467 85 Y HA 0.476 5.026 4.550 0.001 0.000 0.250 85 Y C 0.604 176.704 175.900 0.333 0.000 1.155 85 Y CA -0.264 57.969 58.100 0.221 0.000 1.249 85 Y CB -0.486 38.142 38.460 0.279 0.000 1.146 85 Y HN 0.790 nan 8.280 nan 0.000 0.524 86 H N 0.036 119.078 119.070 -0.046 0.000 3.121 86 H HA 0.504 5.061 4.556 0.001 0.000 0.337 86 H C -2.068 173.370 175.328 0.183 0.000 1.198 86 H CA -0.835 55.243 56.048 0.049 0.000 1.274 86 H CB 1.776 31.450 29.762 -0.147 0.000 1.954 86 H HN 0.136 nan 8.280 nan 0.000 0.531 87 I N 3.714 124.051 120.570 -0.388 0.000 2.533 87 I HA 0.210 4.380 4.170 0.001 0.000 0.290 87 I C -0.752 175.196 176.117 -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 40.249 38.000 -0.131 0.000 1.240 87 I HN 0.544 nan 8.210 nan 0.000 0.423 88 E N 8.528 128.714 120.200 -0.022 0.000 2.263 88 E HA 0.501 4.851 4.350 0.001 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 32.490 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 -0.151 177.128 177.300 -0.036 0.000 1.218 89 P CA -0.398 62.729 63.100 0.046 0.000 0.780 89 P CB 1.156 32.888 31.700 0.053 0.000 0.901 90 V N 2.925 122.751 119.914 -0.147 0.000 2.432 90 V HA 0.247 4.367 4.120 0.001 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 0.361 32.127 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 4.816 4.320 0.001 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 0.001 0.000 0.260 92 G HA3 -0.178 3.783 3.960 0.001 0.000 0.260 92 G C 0.039 174.918 174.900 -0.035 0.000 0.977 92 G CA 0.540 45.624 45.100 -0.025 0.000 0.641 92 G HN 0.797 nan 8.290 nan 0.000 0.533 93 E N 0.656 120.820 120.200 -0.060 0.000 2.244 93 E HA 0.501 4.852 4.350 0.001 0.000 0.266 93 E C -0.328 176.208 176.600 -0.107 0.000 0.914 93 E CA -0.623 55.732 56.400 -0.074 0.000 0.794 93 E CB 1.641 31.290 29.700 -0.085 0.000 1.210 93 E HN 0.473 nan 8.360 nan 0.000 0.414 94 E N 1.435 121.579 120.200 -0.093 0.000 2.179 94 E HA 0.221 4.572 4.350 0.001 0.000 0.275 94 E C -0.085 176.441 176.600 -0.124 0.000 0.945 94 E CA -0.893 55.451 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 1.046 119.651 118.700 -0.158 0.000 2.727 95 N HA -0.257 4.483 4.740 0.001 0.000 0.249 95 N C -1.258 174.124 175.510 -0.214 0.000 1.048 95 N CA 1.311 54.295 53.050 -0.110 0.000 0.714 95 N CB -0.796 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 0.355 119.810 119.800 -0.575 0.000 2.305 96 Q HA 0.534 4.875 4.340 0.001 0.000 0.271 96 Q C -1.497 174.043 176.000 -0.767 0.000 1.046 96 Q CA -0.697 54.859 55.803 -0.410 0.000 0.798 96 Q CB 1.088 29.706 28.738 -0.200 0.000 1.286 96 Q HN 0.248 nan 8.270 nan 0.000 0.435 97 Y N 1.676 121.960 120.300 -0.026 0.000 2.609 97 Y HA 0.553 5.103 4.550 0.001 0.000 0.342 97 Y C -0.410 175.470 175.900 -0.032 0.000 1.058 97 Y CA -1.182 56.901 58.100 -0.029 0.000 1.055 97 Y CB 1.465 39.892 38.460 -0.054 0.000 1.292 97 Y HN 0.455 nan 8.280 nan 0.000 0.476 98 I N 2.102 122.750 120.570 0.130 0.000 2.354 98 I HA 0.258 4.429 4.170 0.001 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 6.884 126.151 119.300 -0.055 0.000 2.319 99 C HA 0.477 4.937 4.460 0.001 0.000 0.335 99 C C -0.027 174.916 174.990 -0.079 0.000 1.274 99 C CA -0.627 58.382 59.018 -0.015 0.000 1.806 99 C CB 0.108 27.845 27.740 -0.006 0.000 2.329 99 C HN 0.493 nan 8.230 nan 0.000 0.524 100 Y N 1.785 122.074 120.300 -0.019 0.000 2.328 100 Y HA 0.558 5.108 4.550 0.001 0.000 0.337 100 Y C 0.313 176.158 175.900 -0.092 0.000 1.008 100 Y CA -0.300 57.763 58.100 -0.062 0.000 1.129 100 Y CB 0.964 39.202 38.460 -0.371 0.000 1.185 100 Y HN 0.407 nan 8.280 nan 0.000 0.476 101 V N 2.860 122.953 119.914 0.298 0.000 2.604 101 V HA 0.832 4.953 4.120 0.001 0.000 0.305 101 V C -0.382 175.873 176.094 0.267 0.000 1.043 101 V CA -1.096 61.342 62.300 0.230 0.000 0.888 101 V CB 1.670 33.565 31.823 0.119 0.000 0.995 101 V HN 0.842 nan 8.190 nan 0.000 0.429 102 A N 3.783 126.705 122.820 0.170 0.000 2.318 102 A HA 0.877 5.197 4.320 0.001 0.000 0.324 102 A C -1.543 175.954 177.584 -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 2.768 123.186 120.300 0.196 0.000 2.350 103 Y HA 0.450 5.000 4.550 0.001 0.000 0.338 103 Y C -2.179 173.846 175.900 0.208 0.000 0.961 103 Y CA -2.479 55.753 58.100 0.220 0.000 1.100 103 Y CB 1.972 40.669 38.460 0.395 0.000 1.179 103 Y HN 0.494 nan 8.280 nan 0.000 0.454 104 P HA -0.028 nan 4.420 nan 0.000 0.269 104 P C 0.775 178.205 177.300 0.215 0.000 1.209 104 P CA -0.223 62.983 63.100 0.177 0.000 0.776 104 P CB 1.412 33.163 31.700 0.086 0.000 0.876 105 L N 2.482 123.804 121.223 0.164 0.000 2.187 105 L HA -0.177 4.163 4.340 0.001 0.000 0.213 105 L C 1.317 178.275 176.870 0.147 0.000 1.100 105 L CA 2.017 56.957 54.840 0.167 0.000 0.765 105 L CB -1.135 40.988 42.059 0.107 0.000 0.904 105 L HN 0.200 nan 8.230 nan 0.000 0.437 106 D N -0.847 119.618 120.400 0.109 0.000 2.378 106 D HA -0.073 4.567 4.640 0.001 0.000 0.222 106 D C 2.011 178.320 176.300 0.014 0.000 0.980 106 D CA 0.746 54.813 54.000 0.110 0.000 0.907 106 D CB -0.021 40.910 40.800 0.218 0.000 0.899 106 D HN 0.405 nan 8.370 nan 0.000 0.527 107 L N -0.857 120.262 121.223 -0.174 0.000 2.509 107 L HA 0.110 4.451 4.340 0.001 0.000 0.222 107 L C 0.056 176.466 176.870 -0.767 0.000 1.123 107 L CA 0.211 54.746 54.840 -0.508 0.000 0.856 107 L CB -0.005 41.606 42.059 -0.746 0.000 0.985 107 L HN -0.121 nan 8.230 nan 0.000 0.456 108 F N -0.249 119.662 119.950 -0.065 0.000 2.480 108 F HA 0.334 4.862 4.527 0.001 0.000 0.329 108 F C 0.620 176.447 175.800 0.044 0.000 1.091 108 F CA -1.138 56.820 58.000 -0.070 0.000 0.972 108 F CB 1.035 39.844 39.000 -0.319 0.000 1.150 108 F HN -0.184 nan 8.300 nan 0.000 0.467 109 E N 1.490 121.829 120.200 0.233 0.000 2.313 109 E HA 0.160 4.510 4.350 0.001 0.000 0.276 109 E C -0.842 175.886 176.600 0.213 0.000 1.031 109 E CA -0.641 55.853 56.400 0.157 0.000 0.857 109 E CB 0.675 30.425 29.700 0.083 0.000 1.040 109 E HN 0.518 nan 8.360 nan 0.000 0.408 110 E N 2.003 122.267 120.200 0.106 0.000 2.414 110 E HA 0.191 4.541 4.350 0.001 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 0.664 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 2.550 110.769 108.800 -0.969 0.000 2.166 111 G HA2 -0.330 3.630 3.960 0.001 0.000 0.260 111 G HA3 -0.330 3.630 3.960 0.001 0.000 0.260 111 G C 0.332 174.892 174.900 -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 -0.482 115.081 115.700 -0.229 0.000 2.516 112 S HA 0.516 4.986 4.470 0.001 0.000 0.268 112 S C 1.485 176.165 174.600 0.132 0.000 1.251 112 S CA 0.111 58.334 58.200 0.039 0.000 1.153 112 S CB 1.153 64.377 63.200 0.041 0.000 1.009 112 S HN 0.547 nan 8.310 nan 0.000 0.479 113 V N 4.630 124.593 119.914 0.081 0.000 2.594 113 V HA -0.121 3.999 4.120 0.001 0.000 0.253 113 V C 2.525 178.362 176.094 -0.427 0.000 1.069 113 V CA 2.369 64.473 62.300 -0.327 0.000 1.082 113 V CB -0.901 30.531 31.823 -0.652 0.000 0.680 113 V HN 0.814 nan 8.190 nan 0.000 0.469 114 T N -0.101 114.367 114.554 -0.145 0.000 2.788 114 T HA -0.215 4.135 4.350 0.001 0.000 0.268 114 T C 1.910 176.637 174.700 0.044 0.000 1.044 114 T CA 1.800 63.904 62.100 0.007 0.000 1.139 114 T CB -0.396 68.531 68.868 0.099 0.000 0.867 114 T HN 0.573 nan 8.240 nan 0.000 0.454 115 N N 0.521 119.259 118.700 0.063 0.000 2.250 115 N HA -0.027 4.714 4.740 0.001 0.000 0.181 115 N C 2.098 177.716 175.510 0.181 0.000 1.017 115 N CA 0.810 53.931 53.050 0.118 0.000 0.866 115 N CB -0.177 38.392 38.487 0.137 0.000 0.985 115 N HN 0.375 nan 8.380 nan 0.000 0.429 116 M N -0.011 119.679 119.600 0.150 0.000 2.065 116 M HA -0.193 4.288 4.480 0.001 0.000 0.259 116 M C 1.434 177.827 176.300 0.155 0.000 1.069 116 M CA 1.663 57.033 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 4.408 4.527 0.001 0.000 0.299 117 F C 2.582 178.395 175.800 0.022 0.000 1.087 117 F CA 1.526 59.514 58.000 -0.019 0.000 1.340 117 F CB -1.740 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 -1.029 113.658 114.554 0.221 0.000 2.833 118 T HA -0.145 4.206 4.350 0.001 0.000 0.269 118 T C 2.325 177.087 174.700 0.103 0.000 1.054 118 T CA 1.607 63.788 62.100 0.134 0.000 1.135 118 T CB -0.240 68.686 68.868 0.096 0.000 0.869 118 T HN 0.150 nan 8.240 nan 0.000 0.466 119 S N 0.778 116.545 115.700 0.111 0.000 2.327 119 S HA 0.177 4.647 4.470 0.001 0.000 0.213 119 S C 2.030 176.679 174.600 0.081 0.000 1.032 119 S CA 0.470 58.705 58.200 0.059 0.000 0.960 119 S CB -0.243 62.953 63.200 -0.007 0.000 0.900 119 S HN 0.390 nan 8.310 nan 0.000 0.469 120 I N 0.982 121.600 120.570 0.079 0.000 2.454 120 I HA -0.053 4.118 4.170 0.001 0.000 0.254 120 I C 1.214 177.533 176.117 0.338 0.000 1.156 120 I CA 0.975 62.359 61.300 0.140 0.000 1.433 120 I CB 0.004 38.040 38.000 0.059 0.000 1.082 120 I HN 0.127 nan 8.210 nan 0.000 0.432 121 V N 0.018 120.072 119.914 0.233 0.000 3.330 121 V HA 0.233 4.353 4.120 0.001 0.000 0.309 121 V C 1.799 177.942 176.094 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 1.139 109.998 108.800 0.099 0.000 2.453 122 G HA2 -0.177 3.783 3.960 0.001 0.000 0.215 122 G HA3 -0.177 3.783 3.960 0.001 0.000 0.215 122 G C 1.148 176.062 174.900 0.022 0.000 1.201 122 G CA 1.220 46.348 45.100 0.046 0.000 0.784 122 G HN 0.542 nan 8.290 nan 0.000 0.545 123 N N -0.485 118.223 118.700 0.012 0.000 2.266 123 N HA -0.002 4.738 4.740 0.001 0.000 0.217 123 N C 2.235 177.660 175.510 -0.141 0.000 1.211 123 N CA 0.843 53.846 53.050 -0.077 0.000 0.881 123 N CB 0.375 38.760 38.487 -0.169 0.000 1.153 123 N HN 0.284 nan 8.380 nan 0.000 0.489 124 V N -0.880 118.996 119.914 -0.062 0.000 2.546 124 V HA -0.128 3.992 4.120 0.001 0.000 0.254 124 V C 1.626 177.725 176.094 0.007 0.000 1.076 124 V CA 1.399 63.641 62.300 -0.098 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 0.337 4.864 4.527 0.001 0.000 0.298 125 F C 2.213 178.072 175.800 0.098 0.000 1.154 125 F CA 0.871 58.889 58.000 0.031 0.000 1.457 125 F CB -0.678 38.328 39.000 0.010 0.000 1.106 125 F HN 0.356 nan 8.300 nan 0.000 0.585 126 G N -1.710 107.181 108.800 0.151 0.000 3.324 126 G HA2 0.063 4.023 3.960 0.001 0.000 0.251 126 G HA3 0.063 4.023 3.960 0.001 0.000 0.251 126 G C 0.117 175.057 174.900 0.068 0.000 1.072 126 G CA -0.191 44.964 45.100 0.092 0.000 0.787 126 G HN -0.026 nan 8.290 nan 0.000 0.537 127 F N 1.498 121.464 119.950 0.025 0.000 2.607 127 F HA 0.175 4.702 4.527 0.001 0.000 0.374 127 F C 1.761 177.563 175.800 0.003 0.000 1.104 127 F CA 0.089 58.088 58.000 -0.002 0.000 1.296 127 F CB 1.072 40.044 39.000 -0.046 0.000 1.085 127 F HN -0.040 nan 8.300 nan 0.000 0.584 128 K N 2.639 123.194 120.400 0.260 0.000 2.147 128 K HA -0.110 4.210 4.320 0.001 0.000 0.205 128 K C 1.837 178.489 176.600 0.088 0.000 1.049 128 K CA 1.176 57.540 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 0.001 0.000 0.209 129 A C 0.613 178.183 177.584 -0.023 0.000 1.171 129 A CA 0.507 52.534 52.037 -0.017 0.000 0.768 129 A CB -0.153 18.781 19.000 -0.110 0.000 0.790 129 A HN 0.093 nan 8.150 nan 0.000 0.478 130 L N -2.021 119.219 121.223 0.029 0.000 2.333 130 L HA 0.472 4.813 4.340 0.001 0.000 0.269 130 L C 1.265 178.166 176.870 0.052 0.000 1.010 130 L CA -0.751 54.101 54.840 0.020 0.000 0.818 130 L CB 1.773 43.843 42.059 0.018 0.000 1.306 130 L HN 0.122 nan 8.230 nan 0.000 0.430 131 R N 0.836 121.365 120.500 0.049 0.000 2.128 131 R HA 0.414 4.754 4.340 0.001 0.000 0.211 131 R C -0.035 176.325 176.300 0.101 0.000 1.067 131 R CA 0.576 56.711 56.100 0.058 0.000 1.010 131 R CB 0.676 31.002 30.300 0.044 0.000 0.922 131 R HN 0.737 nan 8.270 nan 0.000 0.457 132 A N 0.375 123.272 122.820 0.129 0.000 2.612 132 A HA 0.611 4.932 4.320 0.001 0.000 0.293 132 A C -2.085 175.566 177.584 0.112 0.000 1.075 132 A CA -0.591 51.607 52.037 0.268 0.000 0.680 132 A CB 1.728 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 0.376 121.596 121.223 -0.005 0.000 2.513 133 L HA 0.805 5.145 4.340 0.001 0.000 0.261 133 L C -0.732 175.972 176.870 -0.277 0.000 0.945 133 L CA -0.117 54.541 54.840 -0.303 0.000 0.848 133 L CB 1.997 43.625 42.059 -0.718 0.000 1.334 133 L HN 0.865 nan 8.230 nan 0.000 0.407 134 R N 3.889 124.348 120.500 -0.069 0.000 2.574 134 R HA 0.606 4.947 4.340 0.001 0.000 0.288 134 R C -1.937 174.437 176.300 0.124 0.000 1.004 134 R CA -0.864 55.299 56.100 0.105 0.000 0.895 134 R CB 1.788 32.139 30.300 0.085 0.000 1.191 134 R HN 0.667 nan 8.270 nan 0.000 0.444 135 L N 4.234 125.564 121.223 0.178 0.000 2.265 135 L HA 0.281 4.622 4.340 0.001 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 1.245 43.266 42.059 -0.063 0.000 1.179 135 L HN 0.724 nan 8.230 nan 0.000 0.429 136 E N 2.246 122.289 120.200 -0.263 0.000 2.201 136 E HA 0.128 4.478 4.350 0.001 0.000 0.193 136 E C -0.309 176.145 176.600 -0.243 0.000 0.957 136 E CA 0.403 56.624 56.400 -0.298 0.000 0.858 136 E CB 0.536 29.823 29.700 -0.688 0.000 0.816 136 E HN 0.687 nan 8.360 nan 0.000 0.475 137 D N -1.058 119.205 120.400 -0.228 0.000 2.653 137 D HA 0.402 5.043 4.640 0.001 0.000 0.258 137 D C -1.579 174.804 176.300 0.138 0.000 1.252 137 D CA -0.461 53.554 54.000 0.026 0.000 0.777 137 D CB 1.358 42.236 40.800 0.131 0.000 1.339 137 D HN -0.150 nan 8.370 nan 0.000 0.422 138 L N 1.181 122.487 121.223 0.137 0.000 2.431 138 L HA 0.525 4.866 4.340 0.001 0.000 0.266 138 L C -0.357 176.428 176.870 -0.141 0.000 0.978 138 L CA -0.895 53.925 54.840 -0.033 0.000 0.822 138 L CB 2.286 44.313 42.059 -0.052 0.000 1.310 138 L HN 0.188 nan 8.230 nan 0.000 0.409 139 R N 3.912 124.137 120.500 -0.458 0.000 2.215 139 R HA 0.493 4.834 4.340 0.001 0.000 0.337 139 R C -1.066 175.055 176.300 -0.298 0.000 1.010 139 R CA -0.491 55.361 56.100 -0.414 0.000 0.871 139 R CB 0.527 30.433 30.300 -0.658 0.000 1.134 139 R HN 0.571 nan 8.270 nan 0.000 0.477 140 I N 7.722 128.130 120.570 -0.270 0.000 2.312 140 I HA 0.227 4.397 4.170 0.001 0.000 0.291 140 I C -1.681 174.321 176.117 -0.191 0.000 1.031 140 I CA -2.006 59.164 61.300 -0.217 0.000 1.293 140 I CB 1.559 39.415 38.000 -0.241 0.000 1.403 140 I HN 0.289 nan 8.210 nan 0.000 0.484 141 P HA -0.039 nan 4.420 nan 0.000 0.268 141 P C 1.087 178.381 177.300 -0.009 0.000 1.205 141 P CA -0.127 62.944 63.100 -0.049 0.000 0.771 141 P CB 1.218 32.912 31.700 -0.009 0.000 0.858 142 V N 0.857 120.760 119.914 -0.018 0.000 2.568 142 V HA -0.225 3.896 4.120 0.001 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 29.742 31.823 0.012 0.000 0.676 142 V HN 0.528 nan 8.190 nan 0.000 0.469 143 A N -1.033 121.832 122.820 0.075 0.000 2.015 143 A HA -0.103 4.217 4.320 0.001 0.000 0.219 143 A C 2.115 179.804 177.584 0.176 0.000 1.163 143 A CA 1.768 53.866 52.037 0.101 0.000 0.646 143 A CB -0.715 18.338 19.000 0.088 0.000 0.806 143 A HN 0.722 nan 8.150 nan 0.000 0.448 144 Y N -0.259 120.068 120.300 0.044 0.000 2.397 144 Y HA 0.040 4.590 4.550 0.001 0.000 0.292 144 Y C 2.229 178.250 175.900 0.201 0.000 1.115 144 Y CA 0.836 58.992 58.100 0.093 0.000 1.208 144 Y CB -0.082 38.411 38.460 0.055 0.000 1.046 144 Y HN 0.045 nan 8.280 nan 0.000 0.552 145 V N 0.682 120.684 119.914 0.147 0.000 2.469 145 V HA -0.280 3.841 4.120 0.001 0.000 0.251 145 V C 2.173 178.371 176.094 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 0.001 0.000 0.197 146 K C 1.993 178.599 176.600 0.010 0.000 1.041 146 K CA 1.419 57.746 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 -1.988 112.529 114.554 -0.062 0.000 3.169 147 T HA 0.147 4.498 4.350 0.001 0.000 0.250 147 T C 0.381 174.825 174.700 -0.427 0.000 1.111 147 T CA -0.225 61.728 62.100 -0.244 0.000 1.010 147 T CB -0.311 68.352 68.868 -0.342 0.000 0.984 147 T HN -0.172 nan 8.240 nan 0.000 0.537 148 F N 0.815 120.686 119.950 -0.131 0.000 2.538 148 F HA 0.489 5.016 4.527 0.001 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 1.898 121.799 119.800 0.169 0.000 2.163 149 Q HA 0.275 4.615 4.340 0.001 0.000 0.198 149 Q C 0.936 176.974 176.000 0.062 0.000 0.954 149 Q CA 1.121 56.956 55.803 0.054 0.000 0.851 149 Q CB 0.069 28.797 28.738 -0.017 0.000 0.928 149 Q HN 1.002 nan 8.270 nan 0.000 0.459 150 G N 0.553 109.413 108.800 0.099 0.000 2.632 150 G HA2 -0.230 3.730 3.960 0.001 0.000 0.224 150 G HA3 -0.230 3.730 3.960 0.001 0.000 0.224 150 G C -2.581 172.304 174.900 -0.025 0.000 1.341 150 G CA -0.460 44.648 45.100 0.013 0.000 0.880 150 G HN 0.312 nan 8.290 nan 0.000 0.566 151 P HA 0.208 nan 4.420 nan 0.000 0.265 151 P C -1.771 175.475 177.300 -0.090 0.000 1.187 151 P CA -0.376 62.679 63.100 -0.075 0.000 0.766 151 P CB 0.388 32.038 31.700 -0.082 0.000 0.820 152 P HA -0.156 nan 4.420 nan 0.000 0.218 152 P C 0.724 177.665 177.300 -0.599 0.000 1.149 152 P CA 1.790 64.729 63.100 -0.269 0.000 0.817 152 P CB 0.075 31.695 31.700 -0.132 0.000 0.785 153 H N -3.754 115.295 119.070 -0.035 0.000 1.955 153 H HA 0.340 4.896 4.556 0.001 0.000 0.196 153 H C 1.092 176.409 175.328 -0.019 0.000 0.891 153 H CA 0.924 56.957 56.048 -0.024 0.000 1.001 153 H CB 0.268 30.017 29.762 -0.021 0.000 1.195 153 H HN 0.050 nan 8.280 nan 0.000 0.384 154 G N 1.141 110.002 108.800 0.102 0.000 2.707 154 G HA2 -0.192 3.768 3.960 0.001 0.000 0.686 154 G HA3 -0.192 3.768 3.960 0.001 0.000 0.686 154 G C 0.786 175.724 174.900 0.063 0.000 1.315 154 G CA -0.094 45.031 45.100 0.042 0.000 0.832 154 G HN 0.193 nan 8.290 nan 0.000 0.573 155 I N 0.162 120.754 120.570 0.038 0.000 2.113 155 I HA -0.319 3.852 4.170 0.001 0.000 0.242 155 I C 2.918 179.074 176.117 0.064 0.000 1.064 155 I CA 2.544 63.873 61.300 0.047 0.000 1.320 155 I CB -0.305 37.713 38.000 0.030 0.000 1.028 155 I HN 0.780 nan 8.210 nan 0.000 0.406 156 Q N 1.140 120.980 119.800 0.067 0.000 2.030 156 Q HA -0.198 4.142 4.340 0.001 0.000 0.204 156 Q C 2.384 178.441 176.000 0.095 0.000 0.986 156 Q CA 2.449 58.304 55.803 0.087 0.000 0.843 156 Q CB -0.100 28.683 28.738 0.074 0.000 0.904 156 Q HN 0.395 nan 8.270 nan 0.000 0.420 157 V N 1.388 121.355 119.914 0.089 0.000 2.407 157 V HA -0.257 3.863 4.120 0.001 0.000 0.248 157 V C 2.347 178.481 176.094 0.067 0.000 1.055 157 V CA 2.249 64.606 62.300 0.095 0.000 1.049 157 V CB -0.783 31.122 31.823 0.137 0.000 0.662 157 V HN 0.509 nan 8.190 nan 0.000 0.455 158 E N 0.265 120.502 120.200 0.062 0.000 2.077 158 E HA -0.241 4.109 4.350 0.001 0.000 0.193 158 E C 2.452 179.055 176.600 0.005 0.000 0.989 158 E CA 1.315 57.734 56.400 0.030 0.000 0.800 158 E CB -0.069 29.675 29.700 0.074 0.000 0.746 158 E HN 0.515 nan 8.360 nan 0.000 0.452 159 R N 0.284 120.782 120.500 -0.004 0.000 2.092 159 R HA -0.110 4.231 4.340 0.001 0.000 0.231 159 R C 1.937 178.114 176.300 -0.205 0.000 1.119 159 R CA 1.430 57.447 56.100 -0.139 0.000 0.970 159 R CB -0.095 30.157 30.300 -0.081 0.000 0.864 159 R HN 0.248 nan 8.270 nan 0.000 0.440 160 D N 0.472 120.882 120.400 0.017 0.000 2.144 160 D HA -0.119 4.521 4.640 0.001 0.000 0.199 160 D C 1.642 177.962 176.300 0.034 0.000 0.984 160 D CA 1.237 55.298 54.000 0.102 0.000 0.834 160 D CB 0.054 40.938 40.800 0.140 0.000 0.955 160 D HN 0.188 nan 8.370 nan 0.000 0.465 161 K N 0.020 120.421 120.400 0.001 0.000 2.062 161 K HA 0.063 4.384 4.320 0.001 0.000 0.205 161 K C 2.108 178.694 176.600 -0.022 0.000 1.051 161 K CA 0.468 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 0.299 121.493 121.223 -0.049 0.000 2.492 162 L HA 0.024 4.365 4.340 0.001 0.000 0.223 162 L C 0.473 177.274 176.870 -0.115 0.000 1.132 162 L CA 0.118 54.924 54.840 -0.056 0.000 0.850 162 L CB -0.442 41.598 42.059 -0.033 0.000 0.966 162 L HN 0.397 nan 8.230 nan 0.000 0.454 163 N N 1.186 119.773 118.700 -0.187 0.000 2.783 163 N HA -0.166 4.575 4.740 0.001 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 1.453 121.453 120.400 -0.667 0.000 2.450 164 K HA 0.418 4.738 4.320 0.001 0.000 0.257 164 K C -1.408 174.807 176.600 -0.641 0.000 0.953 164 K CA -0.321 55.679 56.287 -0.478 0.000 0.844 164 K CB 1.057 33.399 32.500 -0.263 0.000 1.103 164 K HN 0.099 nan 8.250 nan 0.000 0.429 165 Y N -0.572 119.731 120.300 0.005 0.000 2.562 165 Y HA 0.427 4.978 4.550 0.001 0.000 0.345 165 Y C 1.021 176.927 175.900 0.010 0.000 1.045 165 Y CA -0.837 57.270 58.100 0.011 0.000 1.028 165 Y CB 2.489 40.956 38.460 0.012 0.000 1.297 165 Y HN 0.747 nan 8.280 nan 0.000 0.463 166 G N 1.486 110.398 108.800 0.187 0.000 2.143 166 G HA2 -0.198 3.762 3.960 0.001 0.000 0.249 166 G HA3 -0.198 3.762 3.960 0.001 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 0.954 nan 8.290 nan 0.000 0.528 167 R N -2.227 118.309 120.500 0.061 0.000 2.753 167 R HA 0.570 4.911 4.340 0.001 0.000 0.272 167 R C -3.502 172.819 176.300 0.034 0.000 1.034 167 R CA -1.620 54.507 56.100 0.046 0.000 0.869 167 R CB 0.091 30.413 30.300 0.037 0.000 1.264 167 R HN 0.037 nan 8.270 nan 0.000 0.481 168 P HA 0.132 nan 4.420 nan 0.000 0.271 168 P C -0.660 176.643 177.300 0.005 0.000 1.233 168 P CA -0.359 62.756 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 1.162 122.381 121.223 -0.007 0.000 2.343 169 L HA 0.410 4.750 4.340 0.001 0.000 0.275 169 L C 0.079 176.958 176.870 0.015 0.000 1.056 169 L CA -0.632 54.193 54.840 -0.025 0.000 0.804 169 L CB 0.410 42.486 42.059 0.028 0.000 1.203 169 L HN 0.164 nan 8.230 nan 0.000 0.440 170 L N 1.741 122.957 121.223 -0.013 0.000 2.307 170 L HA 0.736 5.076 4.340 0.001 0.000 0.284 170 L C 0.331 177.253 176.870 0.087 0.000 1.023 170 L CA -0.261 54.622 54.840 0.071 0.000 0.810 170 L CB 1.748 43.842 42.059 0.059 0.000 1.231 170 L HN 0.711 nan 8.230 nan 0.000 0.423 171 G N 0.881 109.765 108.800 0.140 0.000 2.798 171 G HA2 0.624 4.584 3.960 0.001 0.000 0.286 171 G HA3 0.624 4.584 3.960 0.001 0.000 0.286 171 G C -1.976 172.961 174.900 0.061 0.000 1.389 171 G CA -0.480 44.692 45.100 0.120 0.000 0.894 171 G HN 0.704 nan 8.290 nan 0.000 0.488 172 C N -0.053 119.233 119.300 -0.024 0.000 2.931 172 C HA 0.736 5.196 4.460 0.001 0.000 0.370 172 C C -0.258 174.695 174.990 -0.061 0.000 1.071 172 C CA -0.415 58.601 59.018 -0.003 0.000 1.266 172 C CB 0.628 28.385 27.740 0.028 0.000 1.691 172 C HN 0.812 nan 8.230 nan 0.000 0.511 173 T N 7.101 121.640 114.554 -0.025 0.000 2.771 173 T HA 0.411 4.762 4.350 0.001 0.000 0.291 173 T C 0.435 175.128 174.700 -0.012 0.000 0.954 173 T CA -0.247 61.846 62.100 -0.012 0.000 1.045 173 T CB 0.329 69.224 68.868 0.044 0.000 0.917 173 T HN 0.580 nan 8.240 nan 0.000 0.484 174 I N 3.934 124.476 120.570 -0.047 0.000 2.692 174 I HA 0.233 4.404 4.170 0.001 0.000 0.284 174 I C 0.701 176.783 176.117 -0.057 0.000 1.159 174 I CA 0.069 61.276 61.300 -0.154 0.000 1.423 174 I CB 0.007 37.678 38.000 -0.548 0.000 1.380 174 I HN 0.439 nan 8.210 nan 0.000 0.580 175 K N 6.025 126.396 120.400 -0.048 0.000 2.443 175 K HA 0.559 4.879 4.320 0.001 0.000 0.251 175 K C -2.443 174.162 176.600 0.007 0.000 0.972 175 K CA -1.548 54.746 56.287 0.012 0.000 0.833 175 K CB 1.742 34.260 32.500 0.030 0.000 1.317 175 K HN 0.310 nan 8.250 nan 0.000 0.441 176 P HA 0.155 nan 4.420 nan 0.000 0.272 176 P C 0.293 177.624 177.300 0.053 0.000 1.230 176 P CA -0.185 62.929 63.100 0.024 0.000 0.788 176 P CB 0.929 32.626 31.700 -0.007 0.000 0.949 177 K N 0.214 120.643 120.400 0.048 0.000 2.015 177 K HA -0.111 4.209 4.320 0.001 0.000 0.216 177 K C 0.779 177.443 176.600 0.108 0.000 1.052 177 K CA 1.370 57.706 56.287 0.081 0.000 0.937 177 K CB -0.346 32.182 32.500 0.047 0.000 0.719 177 K HN 0.408 nan 8.250 nan 0.000 0.446 178 L N -2.076 119.139 121.223 -0.013 0.000 2.323 178 L HA 0.423 4.763 4.340 0.001 0.000 0.265 178 L C 0.817 177.363 176.870 -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 1.032 109.062 108.800 -1.285 0.000 2.316 179 G HA2 -0.174 3.786 3.960 0.001 0.000 0.203 179 G HA3 -0.174 3.786 3.960 0.001 0.000 0.203 179 G C -0.075 174.662 174.900 -0.271 0.000 0.999 179 G CA -0.590 44.020 45.100 -0.818 0.000 0.649 179 G HN 0.317 nan 8.290 nan 0.000 0.489 180 L N 2.335 123.554 121.223 -0.007 0.000 2.436 180 L HA 0.545 4.885 4.340 0.001 0.000 0.265 180 L C 1.531 178.577 176.870 0.294 0.000 1.168 180 L CA 0.139 55.086 54.840 0.178 0.000 0.815 180 L CB 1.313 43.554 42.059 0.302 0.000 1.109 180 L HN 0.516 nan 8.230 nan 0.000 0.462 181 S N 1.152 116.976 115.700 0.207 0.000 2.669 181 S HA 0.383 4.853 4.470 0.001 0.000 0.270 181 S C 0.915 175.607 174.600 0.153 0.000 1.225 181 S CA -0.169 58.136 58.200 0.175 0.000 0.991 181 S CB 1.592 64.843 63.200 0.086 0.000 0.987 181 S HN 0.683 nan 8.310 nan 0.000 0.552 182 A N 0.997 123.879 122.820 0.103 0.000 1.902 182 A HA -0.061 4.260 4.320 0.001 0.000 0.217 182 A C 2.174 179.695 177.584 -0.105 0.000 1.181 182 A CA 1.577 53.687 52.037 0.121 0.000 0.623 182 A CB -0.882 18.282 19.000 0.274 0.000 0.818 182 A HN 0.886 nan 8.150 nan 0.000 0.443 183 K N -0.284 119.842 120.400 -0.457 0.000 2.097 183 K HA -0.119 4.201 4.320 0.001 0.000 0.205 183 K C 1.700 178.140 176.600 -0.266 0.000 1.050 183 K CA 1.533 57.349 56.287 -0.785 0.000 0.938 183 K CB -0.268 31.793 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 0.001 0.000 0.183 184 N C 1.595 177.146 175.510 0.068 0.000 1.016 184 N CA 0.660 53.712 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 1.281 121.580 120.300 -0.001 0.000 2.145 185 Y HA -0.114 4.436 4.550 0.000 0.000 0.286 185 Y C 2.500 178.410 175.900 0.017 0.000 1.145 185 Y CA 1.695 59.820 58.100 0.041 0.000 1.148 185 Y CB -0.661 37.851 38.460 0.087 0.000 0.981 185 Y HN 0.011 nan 8.280 nan 0.000 0.507 186 G N -0.541 108.359 108.800 0.167 0.000 2.432 186 G HA2 -0.297 3.663 3.960 0.001 0.000 0.219 186 G HA3 -0.297 3.663 3.960 0.001 0.000 0.219 186 G C 1.744 176.697 174.900 0.088 0.000 1.135 186 G CA 0.871 46.038 45.100 0.113 0.000 0.767 186 G HN 0.370 nan 8.290 nan 0.000 0.550 187 R N 0.535 121.067 120.500 0.053 0.000 2.075 187 R HA 0.110 4.450 4.340 0.001 0.000 0.232 187 R C 2.721 179.065 176.300 0.074 0.000 1.126 187 R CA 1.457 57.608 56.100 0.084 0.000 0.963 187 R CB -0.399 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 0.397 123.218 122.820 0.003 0.000 1.969 188 A HA -0.029 4.292 4.320 0.001 0.000 0.218 188 A C 2.196 179.755 177.584 -0.043 0.000 1.169 188 A CA 1.197 53.208 52.037 -0.043 0.000 0.635 188 A CB -0.253 18.679 19.000 -0.112 0.000 0.810 188 A HN 0.231 nan 8.150 nan 0.000 0.445 189 V N -1.255 118.649 119.914 -0.017 0.000 2.323 189 V HA -0.233 3.887 4.120 0.001 0.000 0.244 189 V C 2.349 178.478 176.094 0.058 0.000 1.041 189 V CA 1.979 64.292 62.300 0.022 0.000 1.025 189 V CB -0.953 30.873 31.823 0.005 0.000 0.656 189 V HN 0.749 nan 8.190 nan 0.000 0.451 190 Y N 1.563 121.862 120.300 -0.002 0.000 2.145 190 Y HA -0.207 4.343 4.550 0.001 0.000 0.286 190 Y C 2.520 178.424 175.900 0.007 0.000 1.145 190 Y CA 1.860 59.966 58.100 0.010 0.000 1.148 190 Y CB -0.339 38.133 38.460 0.020 0.000 0.981 190 Y HN 0.283 nan 8.280 nan 0.000 0.507 191 E N -0.416 119.564 120.200 -0.367 0.000 2.077 191 E HA -0.201 4.149 4.350 0.001 0.000 0.193 191 E C 2.468 178.914 176.600 -0.256 0.000 0.989 191 E CA 1.472 57.627 56.400 -0.409 0.000 0.800 191 E CB -0.889 28.700 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 0.001 0.000 0.277 192 C C 2.875 177.809 174.990 -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 1.316 122.489 121.223 -0.083 0.000 2.046 193 L HA -0.153 4.188 4.340 0.001 0.000 0.208 193 L C 2.905 179.727 176.870 -0.081 0.000 1.077 193 L CA 1.757 56.565 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 0.508 120.909 120.500 -0.164 0.000 2.285 194 R HA -0.048 4.292 4.340 0.001 0.000 0.213 194 R C 1.802 178.040 176.300 -0.104 0.000 1.068 194 R CA 1.157 57.174 56.100 -0.137 0.000 1.004 194 R CB -0.579 29.565 30.300 -0.260 0.000 0.873 194 R HN 0.246 nan 8.270 nan 0.000 0.467 195 G N -0.447 108.285 108.800 -0.114 0.000 2.985 195 G HA2 0.254 4.215 3.960 0.001 0.000 0.209 195 G HA3 0.254 4.215 3.960 0.001 0.000 0.209 195 G C 0.885 175.747 174.900 -0.064 0.000 1.165 195 G CA 0.232 45.280 45.100 -0.087 0.000 0.776 195 G HN 0.568 nan 8.290 nan 0.000 0.541 196 G N -0.783 107.982 108.800 -0.059 0.000 2.227 196 G HA2 -0.184 3.776 3.960 0.001 0.000 0.168 196 G HA3 -0.184 3.776 3.960 0.001 0.000 0.168 196 G C 0.284 175.147 174.900 -0.061 0.000 1.006 196 G CA -0.270 44.799 45.100 -0.051 0.000 0.684 196 G HN 0.338 nan 8.290 nan 0.000 0.489 197 L N 1.242 122.428 121.223 -0.062 0.000 2.395 197 L HA 0.376 4.716 4.340 0.001 0.000 0.269 197 L C 1.077 177.880 176.870 -0.113 0.000 1.133 197 L CA -0.672 54.131 54.840 -0.061 0.000 0.812 197 L CB 0.632 42.675 42.059 -0.027 0.000 1.125 197 L HN 0.004 nan 8.230 nan 0.000 0.452 198 D N 1.300 121.572 120.400 -0.213 0.000 2.183 198 D HA 0.042 4.682 4.640 0.001 0.000 0.205 198 D C -0.143 175.890 176.300 -0.445 0.000 0.962 198 D CA 1.496 55.230 54.000 -0.444 0.000 0.849 198 D CB 0.320 40.644 40.800 -0.794 0.000 0.978 198 D HN 0.136 nan 8.370 nan 0.000 0.488 199 F N -0.054 119.880 119.950 -0.027 0.000 2.588 199 F HA 0.348 4.875 4.527 0.000 0.000 0.314 199 F C 0.480 176.149 175.800 -0.218 0.000 1.069 199 F CA -1.118 56.818 58.000 -0.107 0.000 0.931 199 F CB 1.721 40.649 39.000 -0.119 0.000 1.260 199 F HN -0.359 nan 8.300 nan 0.000 0.465 200 T N -1.086 113.412 114.554 -0.093 0.000 2.916 200 T HA 0.867 5.218 4.350 0.001 0.000 0.292 200 T C -1.140 173.155 174.700 -0.676 0.000 1.064 200 T CA -1.045 60.945 62.100 -0.183 0.000 1.011 200 T CB 2.699 71.624 68.868 0.095 0.000 1.152 200 T HN 0.794 nan 8.240 nan 0.000 0.510 201 K N -0.100 119.947 120.400 -0.589 0.000 2.556 201 K HA 0.595 4.915 4.320 0.001 0.000 0.274 201 K C -1.846 174.659 176.600 -0.157 0.000 0.966 201 K CA -0.980 54.864 56.287 -0.739 0.000 0.865 201 K CB 1.377 33.398 32.500 -0.798 0.000 1.444 201 K HN 0.354 nan 8.250 nan 0.000 0.433 202 D N 1.257 121.662 120.400 0.008 0.000 2.362 202 D HA 0.105 4.745 4.640 0.001 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 0.850 41.797 40.800 0.245 0.000 1.195 202 D HN 0.428 nan 8.370 nan 0.000 0.429 203 D N 0.363 120.902 120.400 0.232 0.000 2.358 203 D HA -0.048 4.593 4.640 0.001 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 1.470 121.534 120.200 -0.227 0.000 2.209 204 E HA -0.242 4.108 4.350 0.001 0.000 0.196 204 E C 0.550 177.058 176.600 -0.153 0.000 0.993 204 E CA 1.093 57.260 56.400 -0.388 0.000 0.819 204 E CB -0.373 28.838 29.700 -0.814 0.000 0.745 204 E HN 0.475 nan 8.360 nan 0.000 0.477 205 N N 0.878 119.539 118.700 -0.066 0.000 2.280 205 N HA 0.023 4.764 4.740 0.001 0.000 0.192 205 N C -0.002 175.547 175.510 0.065 0.000 1.109 205 N CA -0.130 52.917 53.050 -0.005 0.000 0.855 205 N CB 0.266 38.755 38.487 0.004 0.000 0.974 205 N HN -0.064 nan 8.380 nan 0.000 0.482 206 V N 1.849 121.818 119.914 0.092 0.000 2.372 206 V HA 0.194 4.314 4.120 0.001 0.000 0.261 206 V C 0.266 176.416 176.094 0.093 0.000 1.055 206 V CA -0.203 62.173 62.300 0.126 0.000 0.930 206 V CB -0.326 31.583 31.823 0.144 0.000 1.031 206 V HN 0.299 nan 8.190 nan 0.000 0.479 207 N N 2.584 121.320 118.700 0.061 0.000 2.871 207 N HA 0.253 4.993 4.740 0.001 0.000 0.204 207 N C -0.176 175.372 175.510 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 4.916 4.470 0.001 0.000 0.283 208 S C -1.814 172.709 174.600 -0.129 0.000 1.159 208 S CA -0.417 57.787 58.200 0.006 0.000 1.001 208 S CB 1.145 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 3.300 122.902 119.800 -0.330 0.000 2.501 209 Q HA 0.465 4.806 4.340 0.001 0.000 0.288 209 Q C -2.122 173.604 176.000 -0.456 0.000 1.051 209 Q CA -1.806 53.739 55.803 -0.429 0.000 0.788 209 Q CB 1.609 29.936 28.738 -0.684 0.000 1.469 209 Q HN 0.249 nan 8.270 nan 0.000 0.416 210 P HA -0.217 nan 4.420 nan 0.000 0.217 210 P C 0.596 177.839 177.300 -0.094 0.000 1.151 210 P CA 1.527 64.560 63.100 -0.111 0.000 0.849 210 P CB 0.027 31.734 31.700 0.011 0.000 0.787 211 F N -2.539 117.422 119.950 0.018 0.000 2.407 211 F HA 0.233 4.761 4.527 0.002 0.000 0.299 211 F C 1.029 176.842 175.800 0.021 0.000 1.097 211 F CA 0.180 58.193 58.000 0.021 0.000 1.422 211 F CB -0.617 38.401 39.000 0.029 0.000 1.067 211 F HN -0.170 nan 8.300 nan 0.000 0.539 212 M N 1.226 120.595 119.600 -0.386 0.000 2.310 212 M HA 0.354 4.834 4.480 0.001 0.000 0.242 212 M C -1.479 174.671 176.300 -0.250 0.000 1.000 212 M CA -0.540 54.654 55.300 -0.177 0.000 0.970 212 M CB 1.176 33.765 32.600 -0.018 0.000 2.191 212 M HN -0.192 nan 8.290 nan 0.000 0.470 213 R N 3.857 124.265 120.500 -0.153 0.000 2.459 213 R HA 0.253 4.593 4.340 0.001 0.000 0.281 213 R C 1.091 177.309 176.300 -0.137 0.000 1.050 213 R CA -0.185 55.818 56.100 -0.161 0.000 1.055 213 R CB 0.682 30.859 30.300 -0.206 0.000 1.045 213 R HN 0.975 nan 8.270 nan 0.000 0.495 214 W N 4.436 125.637 121.300 -0.164 0.000 2.318 214 W HA -0.226 4.434 4.660 0.000 0.000 0.313 214 W C 1.164 177.523 176.519 -0.268 0.000 1.221 214 W CA 0.954 58.179 57.345 -0.199 0.000 1.266 214 W CB -0.547 28.724 29.460 -0.316 0.000 1.150 214 W HN 0.587 nan 8.180 nan 0.000 0.496 215 R N 0.968 120.641 120.500 -1.379 0.000 2.120 215 R HA -0.149 4.191 4.340 0.001 0.000 0.234 215 R C 1.880 177.947 176.300 -0.388 0.000 1.123 215 R CA 2.071 57.451 56.100 -1.200 0.000 0.975 215 R CB -0.384 28.936 30.300 -1.634 0.000 0.866 215 R HN 0.035 nan 8.270 nan 0.000 0.446 216 D N -0.314 119.923 120.400 -0.272 0.000 2.144 216 D HA -0.159 4.481 4.640 0.001 0.000 0.200 216 D C 1.841 178.244 176.300 0.171 0.000 0.978 216 D CA 0.882 54.853 54.000 -0.047 0.000 0.833 216 D CB -0.123 40.701 40.800 0.040 0.000 0.961 216 D HN 0.255 nan 8.370 nan 0.000 0.470 217 R N -0.163 120.453 120.500 0.194 0.000 2.062 217 R HA -0.134 4.206 4.340 0.001 0.000 0.231 217 R C 2.224 178.770 176.300 0.410 0.000 1.136 217 R CA 1.004 57.281 56.100 0.296 0.000 0.948 217 R CB -0.322 30.109 30.300 0.218 0.000 0.845 217 R HN -0.005 nan 8.270 nan 0.000 0.430 218 F N 1.116 121.184 119.950 0.196 0.000 2.120 218 F HA -0.221 4.306 4.527 0.000 0.000 0.300 218 F C 2.239 178.121 175.800 0.136 0.000 1.095 218 F CA 1.182 59.317 58.000 0.225 0.000 1.249 218 F CB -0.889 38.369 39.000 0.429 0.000 0.995 218 F HN 0.102 nan 8.300 nan 0.000 0.480 219 L N -1.477 119.949 121.223 0.338 0.000 2.017 219 L HA -0.227 4.113 4.340 0.001 0.000 0.208 219 L C 2.305 179.176 176.870 0.001 0.000 1.073 219 L CA 1.485 56.394 54.840 0.114 0.000 0.745 219 L CB -0.544 41.501 42.059 -0.024 0.000 0.894 219 L HN -0.046 nan 8.230 nan 0.000 0.432 220 F N -1.057 118.960 119.950 0.112 0.000 2.186 220 F HA -0.179 4.349 4.527 0.001 0.000 0.299 220 F C 2.566 178.388 175.800 0.036 0.000 1.090 220 F CA 1.099 59.143 58.000 0.073 0.000 1.307 220 F CB -1.068 37.979 39.000 0.078 0.000 1.019 220 F HN 0.177 nan 8.300 nan 0.000 0.489 221 C N -0.423 118.982 119.300 0.175 0.000 2.435 221 C HA -0.028 4.432 4.460 0.001 0.000 0.279 221 C C 3.071 178.023 174.990 -0.063 0.000 1.321 221 C CA 0.847 59.843 59.018 -0.036 0.000 1.752 221 C CB -1.555 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 0.336 123.138 122.820 -0.030 0.000 1.898 222 A HA -0.207 4.114 4.320 0.001 0.000 0.216 222 A C 2.162 179.735 177.584 -0.018 0.000 1.181 222 A CA 1.752 53.720 52.037 -0.116 0.000 0.620 222 A CB -0.625 18.366 19.000 -0.015 0.000 0.819 222 A HN 0.690 nan 8.150 nan 0.000 0.442 223 E N -0.026 120.236 120.200 0.104 0.000 2.051 223 E HA -0.146 4.205 4.350 0.001 0.000 0.192 223 E C 2.161 178.825 176.600 0.105 0.000 0.991 223 E CA 1.082 57.572 56.400 0.150 0.000 0.799 223 E CB -0.250 29.534 29.700 0.141 0.000 0.748 223 E HN 0.518 nan 8.360 nan 0.000 0.449 224 A N 1.336 124.208 122.820 0.087 0.000 1.877 224 A HA -0.179 4.141 4.320 0.001 0.000 0.216 224 A C 2.229 179.880 177.584 0.111 0.000 1.186 224 A CA 1.698 53.795 52.037 0.100 0.000 0.620 224 A CB -0.815 18.266 19.000 0.135 0.000 0.822 224 A HN 0.418 nan 8.150 nan 0.000 0.443 225 L N -2.791 118.434 121.223 0.002 0.000 2.083 225 L HA -0.095 4.245 4.340 0.001 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 0.536 120.879 120.300 0.070 0.000 2.352 226 Y HA -0.094 4.456 4.550 0.001 0.000 0.292 226 Y C 2.736 178.666 175.900 0.049 0.000 1.136 226 Y CA 1.398 59.528 58.100 0.049 0.000 1.227 226 Y CB -0.586 37.890 38.460 0.027 0.000 0.991 226 Y HN 0.353 nan 8.280 nan 0.000 0.545 227 K N 0.016 120.525 120.400 0.181 0.000 2.031 227 K HA -0.079 4.241 4.320 0.001 0.000 0.205 227 K C 2.308 179.029 176.600 0.202 0.000 1.049 227 K CA 1.002 57.345 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 1.112 124.118 122.820 0.310 0.000 1.933 228 A HA -0.224 4.096 4.320 0.001 0.000 0.218 228 A C 2.057 179.735 177.584 0.158 0.000 1.175 228 A CA 1.594 53.802 52.037 0.286 0.000 0.628 228 A CB -0.568 18.560 19.000 0.214 0.000 0.814 228 A HN 0.545 nan 8.150 nan 0.000 0.444 229 Q N -0.652 119.234 119.800 0.144 0.000 2.119 229 Q HA -0.088 4.252 4.340 0.001 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 -0.302 28.523 28.738 0.146 0.000 0.903 229 Q HN 0.617 nan 8.270 nan 0.000 0.433 230 A N 0.518 123.408 122.820 0.117 0.000 1.968 230 A HA -0.193 4.127 4.320 0.001 0.000 0.217 230 A C 1.829 179.460 177.584 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 -0.281 119.979 120.200 0.101 0.000 2.072 231 E HA -0.146 4.204 4.350 0.001 0.000 0.190 231 E C 1.995 178.636 176.600 0.067 0.000 0.982 231 E CA 1.703 58.160 56.400 0.095 0.000 0.803 231 E CB -0.026 29.763 29.700 0.148 0.000 0.755 231 E HN 0.713 nan 8.360 nan 0.000 0.453 232 T N -3.982 110.609 114.554 0.061 0.000 3.044 232 T HA 0.253 4.603 4.350 0.001 0.000 0.255 232 T C 1.555 176.273 174.700 0.030 0.000 1.073 232 T CA 0.635 62.757 62.100 0.037 0.000 1.125 232 T CB 0.555 69.437 68.868 0.024 0.000 0.908 232 T HN 0.318 nan 8.240 nan 0.000 0.480 233 G N 1.176 109.998 108.800 0.036 0.000 2.157 233 G HA2 -0.192 3.769 3.960 0.001 0.000 0.248 233 G HA3 -0.192 3.769 3.960 0.001 0.000 0.248 233 G C -0.280 174.633 174.900 0.021 0.000 0.979 233 G CA 0.089 45.207 45.100 0.029 0.000 0.650 233 G HN 0.665 nan 8.290 nan 0.000 0.529 234 E N -0.395 119.814 120.200 0.015 0.000 2.212 234 E HA 0.575 4.926 4.350 0.001 0.000 0.268 234 E C 0.275 176.874 176.600 -0.001 0.000 0.902 234 E CA -1.072 55.325 56.400 -0.005 0.000 0.779 234 E CB 1.822 31.506 29.700 -0.026 0.000 1.172 234 E HN 0.285 nan 8.360 nan 0.000 0.409 235 I N 3.268 123.831 120.570 -0.011 0.000 2.618 235 I HA -0.023 4.147 4.170 0.001 0.000 0.284 235 I C 0.416 176.522 176.117 -0.019 0.000 1.146 235 I CA 0.500 61.803 61.300 0.005 0.000 1.425 235 I CB 0.093 38.095 38.000 0.004 0.000 1.383 235 I HN 0.175 nan 8.210 nan 0.000 0.562 236 K N 4.584 124.996 120.400 0.021 0.000 2.295 236 K HA 0.793 5.113 4.320 0.001 0.000 0.239 236 K C -0.222 176.438 176.600 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 0.154 109.086 108.800 0.219 0.000 2.690 237 G HA2 0.373 4.333 3.960 0.001 0.000 0.293 237 G HA3 0.373 4.333 3.960 0.001 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 0.989 120.116 119.070 0.096 0.000 2.924 238 H HA 0.337 4.893 4.556 0.000 0.000 0.333 238 H C -1.089 174.261 175.328 0.037 0.000 0.979 238 H CA -0.558 55.491 56.048 0.002 0.000 1.326 238 H CB 1.221 30.970 29.762 -0.021 0.000 1.600 238 H HN 0.355 nan 8.280 nan 0.000 0.520 239 Y N 5.357 125.346 120.300 -0.519 0.000 2.537 239 Y HA 0.110 4.660 4.550 0.001 0.000 0.339 239 Y C 0.582 176.327 175.900 -0.259 0.000 1.066 239 Y CA -0.599 57.281 58.100 -0.367 0.000 1.357 239 Y CB -0.259 37.966 38.460 -0.391 0.000 1.175 239 Y HN 0.364 nan 8.280 nan 0.000 0.525 240 L N 4.176 125.370 121.223 -0.048 0.000 2.265 240 L HA 0.275 4.615 4.340 0.001 0.000 0.288 240 L C 0.566 177.408 176.870 -0.048 0.000 1.058 240 L CA -0.221 54.477 54.840 -0.237 0.000 0.809 240 L CB 0.629 42.169 42.059 -0.864 0.000 1.179 240 L HN 0.631 nan 8.230 nan 0.000 0.429 241 N N 1.850 120.625 118.700 0.124 0.000 2.442 241 N HA 0.217 4.957 4.740 0.001 0.000 0.265 241 N C 0.530 176.195 175.510 0.259 0.000 1.138 241 N CA -0.076 53.093 53.050 0.198 0.000 0.956 241 N CB 1.121 39.723 38.487 0.191 0.000 1.067 241 N HN 0.789 nan 8.380 nan 0.000 0.474 242 A N 2.723 125.652 122.820 0.182 0.000 2.348 242 A HA 0.098 4.418 4.320 0.001 0.000 0.224 242 A C 0.621 178.243 177.584 0.064 0.000 1.227 242 A CA -0.102 51.994 52.037 0.099 0.000 0.885 242 A CB 0.073 19.103 19.000 0.049 0.000 0.933 242 A HN 0.600 nan 8.150 nan 0.000 0.506 243 T N 1.715 116.354 114.554 0.142 0.000 2.933 243 T HA 0.445 4.795 4.350 0.001 0.000 0.306 243 T C 0.278 174.985 174.700 0.011 0.000 1.045 243 T CA 0.950 63.125 62.100 0.126 0.000 1.143 243 T CB 0.735 69.614 68.868 0.019 0.000 1.003 243 T HN 0.809 nan 8.240 nan 0.000 0.540 244 A N 2.204 125.023 122.820 -0.002 0.000 2.515 244 A HA 0.802 5.122 4.320 0.001 0.000 0.299 244 A C 1.266 178.824 177.584 -0.042 0.000 1.179 244 A CA -0.249 51.751 52.037 -0.061 0.000 0.656 244 A CB 0.382 19.302 19.000 -0.133 0.000 1.306 244 A HN 0.762 nan 8.150 nan 0.000 0.459 245 G N -0.886 107.882 108.800 -0.053 0.000 2.464 245 G HA2 0.366 4.326 3.960 0.001 0.000 0.217 245 G HA3 0.366 4.326 3.960 0.001 0.000 0.217 245 G C 0.657 175.535 174.900 -0.035 0.000 1.138 245 G CA 1.776 46.852 45.100 -0.039 0.000 0.793 245 G HN 1.577 nan 8.290 nan 0.000 0.539 246 T N -3.960 110.566 114.554 -0.046 0.000 2.901 246 T HA 0.310 4.660 4.350 0.001 0.000 0.293 246 T C 0.897 175.564 174.700 -0.056 0.000 1.084 246 T CA -0.320 61.754 62.100 -0.043 0.000 1.008 246 T CB 1.435 70.277 68.868 -0.043 0.000 1.170 246 T HN -0.079 nan 8.240 nan 0.000 0.509 247 C N 0.518 119.788 119.300 -0.051 0.000 2.425 247 C HA -0.011 4.449 4.460 0.001 0.000 0.277 247 C C 2.631 177.567 174.990 -0.090 0.000 1.280 247 C CA 0.778 59.755 59.018 -0.068 0.000 1.744 247 C CB -1.357 26.351 27.740 -0.054 0.000 1.989 247 C HN 1.017 nan 8.230 nan 0.000 0.491 248 E N 1.278 121.433 120.200 -0.075 0.000 2.051 248 E HA -0.166 4.184 4.350 0.001 0.000 0.192 248 E C 1.712 178.245 176.600 -0.112 0.000 0.991 248 E CA 1.382 57.734 56.400 -0.080 0.000 0.799 248 E CB -0.289 29.379 29.700 -0.054 0.000 0.748 248 E HN 0.545 nan 8.360 nan 0.000 0.449 249 D N -0.189 120.139 120.400 -0.121 0.000 2.144 249 D HA -0.126 4.515 4.640 0.001 0.000 0.200 249 D C 1.854 177.997 176.300 -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 -0.218 119.260 119.600 -0.203 0.000 2.086 250 M HA -0.176 4.305 4.480 0.001 0.000 0.261 250 M C 1.747 177.893 176.300 -0.256 0.000 1.067 250 M CA 1.252 56.425 55.300 -0.211 0.000 1.116 250 M CB 0.044 32.553 32.600 -0.152 0.000 1.348 250 M HN -0.106 nan 8.290 nan 0.000 0.407 251 M N 0.273 119.727 119.600 -0.244 0.000 2.229 251 M HA -0.162 4.318 4.480 0.001 0.000 0.264 251 M C 1.938 178.076 176.300 -0.271 0.000 1.063 251 M CA 1.503 56.621 55.300 -0.302 0.000 1.114 251 M CB -1.201 31.253 32.600 -0.243 0.000 1.387 251 M HN 0.303 nan 8.290 nan 0.000 0.420 252 K N 0.072 120.337 120.400 -0.226 0.000 2.063 252 K HA -0.145 4.175 4.320 0.001 0.000 0.208 252 K C 2.115 178.576 176.600 -0.232 0.000 1.048 252 K CA 1.285 57.471 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 0.051 120.243 120.500 -0.512 0.000 2.073 253 R HA -0.026 4.314 4.340 0.001 0.000 0.229 253 R C 2.383 178.705 176.300 0.036 0.000 1.120 253 R CA 1.032 56.793 56.100 -0.565 0.000 0.967 253 R CB -0.291 29.551 30.300 -0.764 0.000 0.862 253 R HN 0.137 nan 8.270 nan 0.000 0.436 254 A N 0.937 123.714 122.820 -0.072 0.000 1.902 254 A HA -0.101 4.219 4.320 0.001 0.000 0.217 254 A C 2.352 179.982 177.584 0.076 0.000 1.181 254 A CA 1.285 53.309 52.037 -0.021 0.000 0.623 254 A CB -0.518 18.307 19.000 -0.292 0.000 0.818 254 A HN 0.102 nan 8.150 nan 0.000 0.443 255 V N -1.300 118.613 119.914 -0.001 0.000 2.407 255 V HA -0.225 3.895 4.120 0.001 0.000 0.248 255 V C 2.266 178.546 176.094 0.309 0.000 1.055 255 V CA 2.072 64.468 62.300 0.160 0.000 1.049 255 V CB -0.887 30.997 31.823 0.101 0.000 0.662 255 V HN 0.617 nan 8.190 nan 0.000 0.455 256 F N 1.350 121.428 119.950 0.214 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 0.779 58.955 58.000 0.295 0.000 1.358 256 F CB -0.604 38.645 39.000 0.415 0.000 1.040 256 F HN 0.081 nan 8.300 nan 0.000 0.505 257 A N 0.498 123.512 122.820 0.324 0.000 1.933 257 A HA -0.170 4.150 4.320 0.001 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 0.150 0.000 0.628 257 A CB -0.701 18.397 19.000 0.164 0.000 0.814 257 A HN 0.284 nan 8.150 nan 0.000 0.444 258 R N 0.067 120.660 120.500 0.156 0.000 2.081 258 R HA -0.140 4.200 4.340 0.001 0.000 0.235 258 R C 2.054 178.407 176.300 0.087 0.000 1.131 258 R CA 1.837 58.021 56.100 0.140 0.000 0.960 258 R CB -0.461 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 0.208 120.458 120.200 0.084 0.000 2.204 259 E HA -0.134 4.216 4.350 0.001 0.000 0.194 259 E C 1.874 178.456 176.600 -0.030 0.000 0.989 259 E CA 0.709 57.142 56.400 0.056 0.000 0.824 259 E CB 0.024 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 0.135 4.476 4.340 0.001 0.000 0.218 260 L C 1.558 178.469 176.870 0.069 0.000 1.125 260 L CA 0.530 55.311 54.840 -0.098 0.000 0.835 260 L CB 0.084 42.011 42.059 -0.219 0.000 0.953 260 L HN 0.411 nan 8.230 nan 0.000 0.454 261 G N 0.661 109.497 108.800 0.061 0.000 2.143 261 G HA2 -0.255 3.706 3.960 0.001 0.000 0.248 261 G HA3 -0.255 3.706 3.960 0.001 0.000 0.248 261 G C 0.371 175.349 174.900 0.131 0.000 0.991 261 G CA 0.229 45.392 45.100 0.105 0.000 0.689 261 G HN 0.246 nan 8.290 nan 0.000 0.522 262 V N -1.925 118.030 119.914 0.067 0.000 2.881 262 V HA 0.693 4.813 4.120 0.001 0.000 0.303 262 V C 0.008 176.114 176.094 0.020 0.000 1.070 262 V CA -0.769 61.538 62.300 0.013 0.000 1.074 262 V CB 1.234 33.020 31.823 -0.061 0.000 1.012 262 V HN 0.100 nan 8.190 nan 0.000 0.482 263 P HA 0.296 nan 4.420 nan 0.000 0.245 263 P C 0.061 177.336 177.300 -0.041 0.000 1.203 263 P CA 0.584 63.686 63.100 0.003 0.000 0.792 263 P CB 0.581 32.303 31.700 0.036 0.000 0.997 264 I N 0.237 120.780 120.570 -0.044 0.000 2.692 264 I HA 0.332 4.503 4.170 0.001 0.000 0.293 264 I C -0.970 175.086 176.117 -0.101 0.000 1.200 264 I CA -1.289 59.936 61.300 -0.124 0.000 1.036 264 I CB 2.548 40.404 38.000 -0.240 0.000 1.258 264 I HN -0.288 nan 8.210 nan 0.000 0.421 265 V N 4.242 124.090 119.914 -0.109 0.000 3.204 265 V HA 0.729 4.850 4.120 0.001 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 1.325 120.944 119.600 0.032 0.000 2.531 266 M HA 0.702 5.183 4.480 0.001 0.000 0.286 266 M C -1.972 174.441 176.300 0.189 0.000 1.232 266 M CA -0.399 54.962 55.300 0.103 0.000 0.877 266 M CB 2.237 34.952 32.600 0.191 0.000 1.726 266 M HN 1.177 nan 8.290 nan 0.000 0.463 267 H N 0.961 120.065 119.070 0.057 0.000 2.974 267 H HA 0.442 4.998 4.556 0.001 0.000 0.366 267 H C -1.929 173.452 175.328 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 4.543 124.672 120.400 -0.453 0.000 2.479 268 D HA 0.012 4.652 4.640 0.001 0.000 0.218 268 D C 0.723 176.726 176.300 -0.494 0.000 1.131 268 D CA -0.189 53.634 54.000 -0.295 0.000 0.916 268 D CB -0.032 40.621 40.800 -0.245 0.000 1.022 268 D HN 0.601 nan 8.370 nan 0.000 0.515 269 Y N 1.317 121.379 120.300 -0.397 0.000 2.333 269 Y HA -0.091 4.459 4.550 0.001 0.000 0.290 269 Y C 1.213 176.879 175.900 -0.389 0.000 1.144 269 Y CA 1.039 58.957 58.100 -0.304 0.000 1.228 269 Y CB -0.398 37.986 38.460 -0.127 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 0.001 0.000 0.205 270 L C 2.533 179.169 176.870 -0.390 0.000 1.083 270 L CA 1.340 55.758 54.840 -0.704 0.000 0.790 270 L CB -0.636 41.034 42.059 -0.649 0.000 0.942 270 L HN 0.400 nan 8.230 nan 0.000 0.452 271 T N -3.549 110.828 114.554 -0.295 0.000 2.978 271 T HA 0.013 4.364 4.350 0.001 0.000 0.262 271 T C 1.856 176.449 174.700 -0.179 0.000 1.063 271 T CA 0.777 62.755 62.100 -0.203 0.000 1.140 271 T CB -0.377 68.391 68.868 -0.166 0.000 0.886 271 T HN 0.298 nan 8.240 nan 0.000 0.470 272 G N 1.463 110.126 108.800 -0.228 0.000 2.404 272 G HA2 0.444 4.404 3.960 0.001 0.000 0.214 272 G HA3 0.444 4.404 3.960 0.001 0.000 0.214 272 G C 0.814 175.686 174.900 -0.046 0.000 1.189 272 G CA 0.280 45.313 45.100 -0.111 0.000 0.789 272 G HN 1.206 nan 8.290 nan 0.000 0.533 273 G N -2.172 106.558 108.800 -0.116 0.000 2.428 273 G HA2 0.078 4.039 3.960 0.001 0.000 0.681 273 G HA3 0.078 4.039 3.960 0.001 0.000 0.681 273 G C 0.029 174.883 174.900 -0.077 0.000 1.340 273 G CA -0.210 44.810 45.100 -0.133 0.000 0.915 273 G HN 0.054 nan 8.290 nan 0.000 0.645 274 F N 0.486 120.495 119.950 0.098 0.000 2.186 274 F HA 0.043 4.570 4.527 0.001 0.000 0.299 274 F C 3.098 178.936 175.800 0.064 0.000 1.090 274 F CA 2.190 60.257 58.000 0.112 0.000 1.307 274 F CB -0.586 38.469 39.000 0.091 0.000 1.019 274 F HN 0.534 nan 8.300 nan 0.000 0.489 275 T N -0.107 114.573 114.554 0.210 0.000 2.708 275 T HA -0.202 4.148 4.350 0.001 0.000 0.266 275 T C 2.303 177.030 174.700 0.045 0.000 1.037 275 T CA 1.520 63.681 62.100 0.103 0.000 1.146 275 T CB -0.671 68.242 68.868 0.074 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 0.001 0.000 0.217 276 A C 2.249 179.784 177.584 -0.081 0.000 1.175 276 A CA 1.466 53.496 52.037 -0.011 0.000 0.627 276 A CB -0.731 18.285 19.000 0.027 0.000 0.815 276 A HN 0.550 nan 8.150 nan 0.000 0.443 277 N N -0.311 118.414 118.700 0.043 0.000 2.120 277 N HA -0.145 4.596 4.740 0.001 0.000 0.188 277 N C 1.544 177.028 175.510 -0.044 0.000 1.024 277 N CA 1.996 55.052 53.050 0.011 0.000 0.852 277 N CB -0.147 38.501 38.487 0.269 0.000 1.003 277 N HN 0.419 nan 8.380 nan 0.000 0.424 278 T N -0.203 114.335 114.554 -0.026 0.000 2.788 278 T HA -0.083 4.267 4.350 0.001 0.000 0.268 278 T C 1.829 176.309 174.700 -0.366 0.000 1.044 278 T CA 1.559 63.554 62.100 -0.174 0.000 1.139 278 T CB -0.544 68.239 68.868 -0.141 0.000 0.867 278 T HN 0.302 nan 8.240 nan 0.000 0.454 279 T N 2.087 116.504 114.554 -0.228 0.000 2.746 279 T HA -0.020 4.330 4.350 0.001 0.000 0.267 279 T C 1.861 176.514 174.700 -0.077 0.000 1.039 279 T CA 0.810 62.812 62.100 -0.163 0.000 1.142 279 T CB -0.406 68.401 68.868 -0.101 0.000 0.866 279 T HN 0.112 nan 8.240 nan 0.000 0.444 280 L N 0.955 122.106 121.223 -0.121 0.000 2.093 280 L HA 0.055 4.396 4.340 0.001 0.000 0.208 280 L C 2.618 179.509 176.870 0.036 0.000 1.085 280 L CA 1.662 56.459 54.840 -0.072 0.000 0.755 280 L CB -0.960 40.952 42.059 -0.246 0.000 0.904 280 L HN 0.182 nan 8.230 nan 0.000 0.435 281 S N -1.508 114.189 115.700 -0.006 0.000 2.368 281 S HA -0.240 4.230 4.470 0.001 0.000 0.225 281 S C 2.077 176.777 174.600 0.166 0.000 1.030 281 S CA 1.346 59.580 58.200 0.057 0.000 0.999 281 S CB -0.394 62.833 63.200 0.044 0.000 0.844 281 S HN 0.659 nan 8.310 nan 0.000 0.459 282 H N -0.719 118.362 119.070 0.017 0.000 2.357 282 H HA 0.010 4.566 4.556 0.001 0.000 0.301 282 H C 1.749 177.083 175.328 0.011 0.000 1.082 282 H CA 1.550 57.600 56.048 0.003 0.000 1.342 282 H CB -1.031 28.739 29.762 0.014 0.000 1.389 282 H HN 0.639 nan 8.280 nan 0.000 0.511 283 Y N 0.449 120.807 120.300 0.097 0.000 2.224 283 Y HA -0.243 4.307 4.550 0.001 0.000 0.289 283 Y C 2.406 178.330 175.900 0.039 0.000 1.146 283 Y CA 1.324 59.452 58.100 0.047 0.000 1.182 283 Y CB -0.537 37.932 38.460 0.016 0.000 0.983 283 Y HN 0.151 nan 8.280 nan 0.000 0.524 284 C N 0.125 119.488 119.300 0.105 0.000 2.440 284 C HA -0.103 4.357 4.460 0.001 0.000 0.278 284 C C 2.729 177.721 174.990 0.003 0.000 1.295 284 C CA 1.311 60.369 59.018 0.067 0.000 1.738 284 C CB -1.180 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 1.865 122.323 120.500 -0.071 0.000 2.081 285 R HA -0.090 4.250 4.340 0.001 0.000 0.235 285 R C 1.494 177.710 176.300 -0.140 0.000 1.131 285 R CA 1.976 57.966 56.100 -0.183 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 -0.209 120.097 120.400 -0.157 0.000 2.264 286 D HA -0.054 4.587 4.640 0.001 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 -0.685 117.860 118.700 -0.258 0.000 2.200 287 N HA 0.135 4.876 4.740 0.001 0.000 0.224 287 N C 0.803 176.280 175.510 -0.055 0.000 1.179 287 N CA 0.299 53.224 53.050 -0.209 0.000 0.877 287 N CB 1.854 40.094 38.487 -0.412 0.000 1.072 287 N HN 0.056 nan 8.380 nan 0.000 0.519 288 G N 1.560 110.384 108.800 0.040 0.000 2.179 288 G HA2 -0.272 3.688 3.960 0.001 0.000 0.257 288 G HA3 -0.272 3.688 3.960 0.001 0.000 0.257 288 G C -0.130 174.783 174.900 0.022 0.000 1.010 288 G CA 0.162 45.328 45.100 0.109 0.000 0.736 288 G HN 0.254 nan 8.290 nan 0.000 0.513 289 L N -0.087 121.191 121.223 0.091 0.000 2.307 289 L HA 0.588 4.929 4.340 0.001 0.000 0.282 289 L C 1.023 177.888 176.870 -0.007 0.000 1.051 289 L CA -1.046 53.805 54.840 0.018 0.000 0.804 289 L CB 1.371 43.474 42.059 0.074 0.000 1.197 289 L HN 0.038 nan 8.230 nan 0.000 0.431 290 L N 3.653 124.782 121.223 -0.156 0.000 2.371 290 L HA 0.287 4.628 4.340 0.001 0.000 0.272 290 L C -0.431 176.330 176.870 -0.183 0.000 1.124 290 L CA -0.370 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 0.383 nan 8.230 nan 0.000 0.448 291 L N 3.076 124.191 121.223 -0.180 0.000 2.319 291 L HA 0.359 4.699 4.340 0.001 0.000 0.281 291 L C -0.560 176.104 176.870 -0.344 0.000 1.005 291 L CA -0.229 54.493 54.840 -0.195 0.000 0.828 291 L CB 1.042 43.053 42.059 -0.079 0.000 1.227 291 L HN 0.456 nan 8.230 nan 0.000 0.415 292 H N 5.414 124.163 119.070 -0.535 0.000 2.527 292 H HA 0.586 5.143 4.556 0.001 0.000 0.321 292 H C -0.903 174.269 175.328 -0.259 0.000 1.087 292 H CA -0.489 55.206 56.048 -0.587 0.000 1.337 292 H CB 0.756 29.939 29.762 -0.966 0.000 1.440 292 H HN 0.518 nan 8.280 nan 0.000 0.490 293 I N 5.513 125.685 120.570 -0.663 0.000 2.404 293 I HA 0.179 4.349 4.170 0.001 0.000 0.293 293 I C 0.083 175.932 176.117 -0.447 0.000 0.992 293 I CA -0.518 60.542 61.300 -0.400 0.000 1.149 293 I CB 1.245 39.030 38.000 -0.358 0.000 1.315 293 I HN 0.696 nan 8.210 nan 0.000 0.446 294 H N 5.828 124.784 119.070 -0.189 0.000 2.463 294 H HA 0.366 4.922 4.556 0.001 0.000 0.332 294 H C 0.328 175.637 175.328 -0.032 0.000 1.127 294 H CA -0.414 55.488 56.048 -0.244 0.000 1.238 294 H CB 1.902 31.537 29.762 -0.212 0.000 1.478 294 H HN 0.481 nan 8.280 nan 0.000 0.499 295 R N 1.609 122.168 120.500 0.098 0.000 2.586 295 R HA 0.458 4.798 4.340 0.001 0.000 0.306 295 R C 0.234 176.596 176.300 0.103 0.000 1.079 295 R CA -0.571 55.620 56.100 0.152 0.000 1.083 295 R CB 0.151 30.475 30.300 0.039 0.000 1.306 295 R HN 0.337 nan 8.270 nan 0.000 0.567 296 A N 1.658 124.503 122.820 0.041 0.000 2.598 296 A HA 0.040 4.360 4.320 0.001 0.000 0.239 296 A C 0.923 178.487 177.584 -0.034 0.000 1.032 296 A CA 0.910 52.939 52.037 -0.013 0.000 0.760 296 A CB -0.210 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 0.611 120.192 119.600 -0.032 0.000 3.019 297 M HA -0.289 4.191 4.480 0.001 0.000 0.214 297 M C 0.851 177.109 176.300 -0.070 0.000 0.577 297 M CA 1.864 57.115 55.300 -0.080 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 -1.118 117.894 119.070 -0.096 0.000 2.389 298 H HA 0.343 4.899 4.556 0.001 0.000 0.299 298 H C 1.740 177.029 175.328 -0.064 0.000 1.081 298 H CA 1.616 57.626 56.048 -0.063 0.000 1.345 298 H CB -0.411 29.348 29.762 -0.005 0.000 1.393 298 H HN 0.478 nan 8.280 nan 0.000 0.520 299 A N 1.174 123.494 122.820 -0.833 0.000 2.172 299 A HA 0.015 4.335 4.320 0.001 0.000 0.216 299 A C 2.283 179.715 177.584 -0.252 0.000 1.154 299 A CA 1.020 52.718 52.037 -0.565 0.000 0.701 299 A CB -0.650 18.003 19.000 -0.578 0.000 0.789 299 A HN 0.374 nan 8.150 nan 0.000 0.465 300 V N -0.621 119.178 119.914 -0.192 0.000 2.809 300 V HA -0.128 3.993 4.120 0.001 0.000 0.256 300 V C 2.023 178.069 176.094 -0.079 0.000 1.080 300 V CA 1.721 63.951 62.300 -0.116 0.000 1.102 300 V CB -0.391 31.371 31.823 -0.101 0.000 0.705 300 V HN 0.620 nan 8.190 nan 0.000 0.475 301 I N 0.367 120.889 120.570 -0.080 0.000 3.616 301 I HA 0.042 4.212 4.170 0.001 0.000 0.296 301 I C 1.568 177.674 176.117 -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 38.103 38.000 -0.071 0.000 1.171 301 I HN 0.421 nan 8.210 nan 0.000 0.442 302 D N -0.278 120.106 120.400 -0.027 0.000 2.395 302 D HA -0.025 4.616 4.640 0.001 0.000 0.213 302 D C 1.785 178.076 176.300 -0.017 0.000 1.110 302 D CA -0.055 53.941 54.000 -0.007 0.000 0.835 302 D CB 0.080 40.894 40.800 0.023 0.000 0.965 302 D HN -0.062 nan 8.370 nan 0.000 0.505 303 R N 0.265 120.745 120.500 -0.034 0.000 2.057 303 R HA 0.029 4.370 4.340 0.001 0.000 0.229 303 R C 0.465 176.785 176.300 0.034 0.000 1.136 303 R CA 1.133 57.220 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 0.771 120.601 119.800 0.050 0.000 2.293 304 Q HA 0.021 4.362 4.340 0.001 0.000 0.251 304 Q C 0.121 176.187 176.000 0.110 0.000 0.930 304 Q CA 0.203 56.052 55.803 0.076 0.000 0.893 304 Q CB 1.445 30.229 28.738 0.077 0.000 1.215 304 Q HN 0.204 nan 8.270 nan 0.000 0.425 305 K N 2.162 122.627 120.400 0.108 0.000 2.366 305 K HA -0.088 4.233 4.320 0.001 0.000 0.198 305 K C 1.017 177.685 176.600 0.114 0.000 1.044 305 K CA 0.983 57.342 56.287 0.121 0.000 0.973 305 K CB 0.399 32.961 32.500 0.104 0.000 0.767 305 K HN 0.543 nan 8.250 nan 0.000 0.475 306 N N -1.064 117.707 118.700 0.118 0.000 2.356 306 N HA -0.080 4.660 4.740 0.001 0.000 0.178 306 N C -0.390 175.231 175.510 0.185 0.000 1.075 306 N CA 0.279 53.403 53.050 0.124 0.000 0.889 306 N CB 0.164 38.714 38.487 0.104 0.000 0.999 306 N HN 0.166 nan 8.380 nan 0.000 0.464 307 H N -1.228 117.905 119.070 0.104 0.000 2.954 307 H HA 0.578 5.134 4.556 0.001 0.000 0.361 307 H C 0.047 175.476 175.328 0.168 0.000 1.122 307 H CA 0.405 56.546 56.048 0.155 0.000 1.217 307 H CB 1.609 31.448 29.762 0.128 0.000 1.776 307 H HN 0.326 nan 8.280 nan 0.000 0.533 308 G N 2.346 111.183 108.800 0.062 0.000 2.255 308 G HA2 0.018 3.979 3.960 0.001 0.000 0.216 308 G HA3 0.018 3.979 3.960 0.001 0.000 0.216 308 G C -1.529 173.417 174.900 0.077 0.000 1.307 308 G CA -0.415 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 0.680 120.288 119.600 0.013 0.000 2.378 309 M HA 0.374 4.855 4.480 0.001 0.000 0.289 309 M C -0.344 175.995 176.300 0.065 0.000 1.136 309 M CA -0.806 54.499 55.300 0.008 0.000 0.917 309 M CB 2.428 34.946 32.600 -0.135 0.000 1.669 309 M HN 0.775 nan 8.290 nan 0.000 0.461 310 H N 1.624 120.713 119.070 0.032 0.000 2.679 310 H HA 0.103 4.659 4.556 0.001 0.000 0.369 310 H C 0.105 175.496 175.328 0.105 0.000 1.178 310 H CA 0.636 56.742 56.048 0.096 0.000 1.419 310 H CB 0.937 30.759 29.762 0.102 0.000 1.458 310 H HN 0.766 nan 8.280 nan 0.000 0.605 311 F N 3.973 123.630 119.950 -0.488 0.000 2.202 311 F HA -0.185 4.343 4.527 0.001 0.000 0.301 311 F C 2.620 178.334 175.800 -0.144 0.000 1.082 311 F CA 1.594 59.416 58.000 -0.298 0.000 1.313 311 F CB -0.114 38.593 39.000 -0.489 0.000 1.024 311 F HN 0.659 nan 8.300 nan 0.000 0.495 312 R N -0.511 120.060 120.500 0.118 0.000 2.152 312 R HA -0.105 4.235 4.340 0.001 0.000 0.232 312 R C 1.735 178.011 176.300 -0.040 0.000 1.117 312 R CA 1.806 57.932 56.100 0.043 0.000 0.981 312 R CB -1.349 29.162 30.300 0.351 0.000 0.870 312 R HN 0.290 nan 8.270 nan 0.000 0.451 313 V N 1.716 121.636 119.914 0.009 0.000 2.453 313 V HA -0.124 3.997 4.120 0.001 0.000 0.247 313 V C 2.354 178.469 176.094 0.036 0.000 1.048 313 V CA 1.342 63.666 62.300 0.040 0.000 1.049 313 V CB -0.309 31.542 31.823 0.046 0.000 0.672 313 V HN 0.275 nan 8.190 nan 0.000 0.457 314 L N 0.062 121.233 121.223 -0.087 0.000 2.217 314 L HA -0.037 4.303 4.340 0.001 0.000 0.211 314 L C 2.599 179.371 176.870 -0.164 0.000 1.107 314 L CA 1.157 56.003 54.840 0.011 0.000 0.783 314 L CB -0.668 41.400 42.059 0.014 0.000 0.919 314 L HN 0.346 nan 8.230 nan 0.000 0.442 315 A N 0.119 122.590 122.820 -0.583 0.000 1.930 315 A HA -0.133 4.187 4.320 0.001 0.000 0.215 315 A C 2.339 179.812 177.584 -0.185 0.000 1.176 315 A CA 1.091 52.814 52.037 -0.523 0.000 0.632 315 A CB -0.160 18.434 19.000 -0.676 0.000 0.819 315 A HN 0.243 nan 8.150 nan 0.000 0.445 316 K N -0.155 120.213 120.400 -0.054 0.000 2.057 316 K HA -0.045 4.276 4.320 0.001 0.000 0.206 316 K C 2.290 178.899 176.600 0.014 0.000 1.050 316 K CA 1.078 57.434 56.287 0.115 0.000 0.935 316 K CB -0.316 32.290 32.500 0.176 0.000 0.715 316 K HN 0.413 nan 8.250 nan 0.000 0.439 317 A N 1.827 124.632 122.820 -0.025 0.000 1.978 317 A HA -0.162 4.158 4.320 0.001 0.000 0.220 317 A C 2.024 179.566 177.584 -0.069 0.000 1.170 317 A CA 1.115 53.063 52.037 -0.148 0.000 0.636 317 A CB -0.501 18.432 19.000 -0.111 0.000 0.810 317 A HN 0.251 nan 8.150 nan 0.000 0.448 318 L N -0.491 120.732 121.223 -0.001 0.000 2.072 318 L HA -0.052 4.288 4.340 0.001 0.000 0.205 318 L C 2.412 179.167 176.870 -0.192 0.000 1.079 318 L CA 2.135 56.889 54.840 -0.143 0.000 0.752 318 L CB -0.844 40.945 42.059 -0.449 0.000 0.906 318 L HN 0.537 nan 8.230 nan 0.000 0.436 319 R N -0.381 119.987 120.500 -0.219 0.000 2.120 319 R HA -0.150 4.190 4.340 0.001 0.000 0.234 319 R C 2.316 178.482 176.300 -0.223 0.000 1.123 319 R CA 1.220 57.149 56.100 -0.286 0.000 0.975 319 R CB -0.027 29.966 30.300 -0.512 0.000 0.866 319 R HN 0.411 nan 8.270 nan 0.000 0.446 320 L N -0.828 120.258 121.223 -0.229 0.000 2.049 320 L HA -0.088 4.252 4.340 0.001 0.000 0.203 320 L C 2.599 179.368 176.870 -0.168 0.000 1.074 320 L CA 1.313 55.926 54.840 -0.379 0.000 0.749 320 L CB -0.628 40.867 42.059 -0.940 0.000 0.907 320 L HN 0.232 nan 8.230 nan 0.000 0.439 321 S N -0.730 114.906 115.700 -0.108 0.000 2.356 321 S HA 0.004 4.474 4.470 0.001 0.000 0.223 321 S C 0.841 175.474 174.600 0.055 0.000 1.032 321 S CA 1.142 59.381 58.200 0.066 0.000 1.005 321 S CB -0.255 63.038 63.200 0.155 0.000 0.867 321 S HN 0.612 nan 8.310 nan 0.000 0.449 322 G N -1.628 107.161 108.800 -0.020 0.000 2.957 322 G HA2 0.439 4.399 3.960 0.001 0.000 0.636 322 G HA3 0.439 4.399 3.960 0.001 0.000 0.636 322 G C -0.337 174.514 174.900 -0.082 0.000 1.401 322 G CA -0.433 44.646 45.100 -0.036 0.000 0.941 322 G HN 1.101 nan 8.290 nan 0.000 0.610 323 G N 0.469 109.203 108.800 -0.111 0.000 2.596 323 G HA2 0.586 4.547 3.960 0.001 0.000 0.296 323 G HA3 0.586 4.547 3.960 0.001 0.000 0.296 323 G C -0.213 174.617 174.900 -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 -0.403 119.931 120.400 -0.111 0.000 2.301 324 D HA 0.100 4.741 4.640 0.001 0.000 0.206 324 D C 0.358 176.712 176.300 0.089 0.000 0.979 324 D CA 0.992 54.971 54.000 -0.035 0.000 0.874 324 D CB 0.424 41.195 40.800 -0.048 0.000 0.968 324 D HN 0.554 nan 8.370 nan 0.000 0.510 325 H N -0.751 118.193 119.070 -0.209 0.000 2.821 325 H HA 0.613 5.169 4.556 0.001 0.000 0.373 325 H C -0.854 174.274 175.328 -0.332 0.000 1.165 325 H CA -0.816 55.090 56.048 -0.237 0.000 1.154 325 H CB 3.154 32.770 29.762 -0.242 0.000 1.765 325 H HN -0.148 nan 8.280 nan 0.000 0.549 326 I N 1.522 122.009 120.570 -0.138 0.000 2.644 326 I HA 0.137 4.307 4.170 0.001 0.000 0.291 326 I C -0.683 175.390 176.117 -0.073 0.000 1.180 326 I CA -0.525 60.678 61.300 -0.161 0.000 1.040 326 I CB 1.837 39.757 38.000 -0.134 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 -0.234 0.000 2.964 327 H HA 0.098 4.655 4.556 0.001 0.000 0.328 327 H C 0.467 175.706 175.328 -0.149 0.000 1.030 327 H CA 0.810 56.743 56.048 -0.191 0.000 1.445 327 H CB 1.002 30.648 29.762 -0.193 0.000 1.449 327 H HN 0.647 nan 8.280 nan 0.000 0.581 328 S N 1.906 117.559 115.700 -0.078 0.000 2.847 328 S HA 0.330 4.800 4.470 0.001 0.000 0.254 328 S C 0.752 175.415 174.600 0.104 0.000 1.039 328 S CA 0.057 58.306 58.200 0.082 0.000 1.113 328 S CB 0.959 64.354 63.200 0.324 0.000 1.092 328 S HN 1.085 nan 8.310 nan 0.000 0.620 329 G N 1.222 109.996 108.800 -0.044 0.000 2.661 329 G HA2 -0.037 3.923 3.960 0.001 0.000 0.685 329 G HA3 -0.037 3.923 3.960 0.001 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 -3.320 111.252 114.554 0.030 0.000 2.959 330 T HA 0.491 4.841 4.350 0.001 0.000 0.254 330 T C 1.770 176.521 174.700 0.085 0.000 1.003 330 T CA 1.314 63.443 62.100 0.049 0.000 0.950 330 T CB 0.560 69.360 68.868 -0.113 0.000 1.090 330 T HN 2.272 nan 8.240 nan 0.000 0.503 331 V N 0.870 120.815 119.914 0.052 0.000 0.542 331 V HA -0.335 3.786 4.120 0.001 0.000 0.092 331 V C 2.052 178.151 176.094 0.009 0.000 2.107 331 V CA 2.142 64.457 62.300 0.025 0.000 3.514 331 V CB -1.829 29.986 31.823 -0.013 0.000 0.805 331 V HN 0.770 nan 8.190 nan 0.000 0.840 332 V N -0.669 119.224 119.914 -0.034 0.000 3.623 332 V HA 0.620 4.740 4.120 0.001 0.000 0.271 332 V C 1.172 177.197 176.094 -0.115 0.000 1.248 332 V CA 1.576 63.843 62.300 -0.055 0.000 1.156 332 V CB -0.226 31.532 31.823 -0.109 0.000 0.870 332 V HN 0.952 nan 8.190 nan 0.000 0.453 333 G N 1.236 109.932 108.800 -0.173 0.000 2.695 333 G HA2 0.286 4.247 3.960 0.001 0.000 0.213 333 G HA3 0.286 4.247 3.960 0.001 0.000 0.213 333 G C 0.695 175.336 174.900 -0.433 0.000 1.406 333 G CA -0.020 44.905 45.100 -0.292 0.000 1.049 333 G HN 0.471 nan 8.290 nan 0.000 0.573 334 K N -1.095 118.825 120.400 -0.800 0.000 2.432 334 K HA 0.179 4.500 4.320 0.001 0.000 0.196 334 K C 0.166 176.581 176.600 -0.308 0.000 1.038 334 K CA 0.384 56.191 56.287 -0.800 0.000 0.986 334 K CB -0.215 31.765 32.500 -0.866 0.000 0.782 334 K HN 0.211 nan 8.250 nan 0.000 0.485 335 L N 1.662 122.763 121.223 -0.203 0.000 2.342 335 L HA 0.323 4.664 4.340 0.001 0.000 0.271 335 L C -0.122 176.718 176.870 -0.050 0.000 1.008 335 L CA -1.170 53.604 54.840 -0.110 0.000 0.818 335 L CB 1.943 43.956 42.059 -0.076 0.000 1.296 335 L HN 0.108 nan 8.230 nan 0.000 0.427 336 E N 0.929 121.111 120.200 -0.030 0.000 2.437 336 E HA 0.347 4.698 4.350 0.001 0.000 0.263 336 E C -0.227 176.403 176.600 0.050 0.000 1.030 336 E CA 0.409 56.819 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 3.903 112.748 108.800 0.075 0.000 1.882 337 G HA2 0.005 3.966 3.960 0.001 0.000 0.256 337 G HA3 0.005 3.966 3.960 0.001 0.000 0.256 337 G C -1.160 173.789 174.900 0.081 0.000 2.065 337 G CA -0.780 44.383 45.100 0.105 0.000 0.882 337 G HN 0.391 nan 8.290 nan 0.000 0.574 338 E N 1.596 121.850 120.200 0.091 0.000 2.354 338 E HA 0.183 4.534 4.350 0.001 0.000 0.269 338 E C 1.368 177.968 176.600 0.001 0.000 1.036 338 E CA -0.604 55.829 56.400 0.055 0.000 0.876 338 E CB 1.999 31.743 29.700 0.074 0.000 1.009 338 E HN 0.624 nan 8.360 nan 0.000 0.416 339 R N 2.149 122.633 120.500 -0.027 0.000 2.080 339 R HA -0.201 4.140 4.340 0.001 0.000 0.236 339 R C 0.898 177.132 176.300 -0.110 0.000 1.137 339 R CA 1.976 58.024 56.100 -0.086 0.000 0.943 339 R CB 0.088 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 -0.110 4.530 4.640 0.001 0.000 0.197 340 D C 1.902 178.158 176.300 -0.073 0.000 0.984 340 D CA 1.148 55.109 54.000 -0.066 0.000 0.826 340 D CB -0.107 40.673 40.800 -0.034 0.000 0.973 340 D HN 0.293 nan 8.370 nan 0.000 0.460 341 I N 0.483 121.035 120.570 -0.030 0.000 2.315 341 I HA -0.228 3.943 4.170 0.001 0.000 0.248 341 I C 2.113 178.118 176.117 -0.186 0.000 1.117 341 I CA 0.957 62.266 61.300 0.014 0.000 1.404 341 I CB -0.182 37.918 38.000 0.167 0.000 1.071 341 I HN 0.010 nan 8.210 nan 0.000 0.419 342 T N 1.256 115.615 114.554 -0.325 0.000 2.737 342 T HA -0.100 4.250 4.350 0.001 0.000 0.265 342 T C 1.928 176.228 174.700 -0.667 0.000 1.038 342 T CA 1.149 62.781 62.100 -0.779 0.000 1.144 342 T CB -0.288 68.367 68.868 -0.355 0.000 0.866 342 T HN 0.235 nan 8.240 nan 0.000 0.434 343 L N 0.751 121.763 121.223 -0.352 0.000 2.187 343 L HA -0.037 4.303 4.340 0.001 0.000 0.213 343 L C 2.853 179.626 176.870 -0.161 0.000 1.100 343 L CA 1.090 55.787 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 0.001 0.000 0.215 344 G HA3 -0.295 3.665 3.960 0.001 0.000 0.215 344 G C 1.284 176.234 174.900 0.085 0.000 1.188 344 G CA 0.849 45.936 45.100 -0.022 0.000 0.783 344 G HN 0.479 nan 8.290 nan 0.000 0.537 345 F N 0.600 120.648 119.950 0.163 0.000 2.558 345 F HA 0.276 4.803 4.527 0.000 0.000 0.298 345 F C 2.077 177.970 175.800 0.155 0.000 1.119 345 F CA -0.193 57.914 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 1.161 121.177 119.914 0.171 0.000 2.427 346 V HA -0.222 3.898 4.120 0.001 0.000 0.248 346 V C 2.033 178.218 176.094 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 31.290 31.823 0.151 0.000 0.666 346 V HN 0.238 nan 8.190 nan 0.000 0.456 347 D N -0.003 120.465 120.400 0.112 0.000 2.144 347 D HA -0.074 4.566 4.640 0.001 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 0.103 121.444 121.223 0.197 0.000 2.201 348 L HA -0.086 4.254 4.340 0.001 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 0.274 0.000 0.775 348 L CB -0.120 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 -1.053 120.198 121.223 0.047 0.000 2.162 349 L HA -0.050 4.290 4.340 0.001 0.000 0.205 349 L C 2.620 179.387 176.870 -0.173 0.000 1.086 349 L CA 0.892 55.670 54.840 -0.104 0.000 0.778 349 L CB -0.162 41.906 42.059 0.014 0.000 0.928 349 L HN 0.161 nan 8.230 nan 0.000 0.446 350 R N -0.955 119.507 120.500 -0.064 0.000 2.175 350 R HA 0.085 4.426 4.340 0.001 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 0.156 30.463 30.300 0.011 0.000 0.959 350 R HN 0.229 nan 8.270 nan 0.000 0.480 351 D N 0.279 120.683 120.400 0.007 0.000 2.388 351 D HA 0.012 4.653 4.640 0.001 0.000 0.254 351 D C 0.200 176.590 176.300 0.149 0.000 1.111 351 D CA -0.149 53.901 54.000 0.083 0.000 0.993 351 D CB 1.068 41.948 40.800 0.134 0.000 1.118 351 D HN -0.130 nan 8.370 nan 0.000 0.502 352 D N -1.480 119.055 120.400 0.223 0.000 2.333 352 D HA -0.041 4.600 4.640 0.001 0.000 0.208 352 D C -0.794 175.789 176.300 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 0.001 0.000 0.327 353 Y C -1.680 174.312 175.900 0.153 0.000 1.138 353 Y CA -0.745 57.455 58.100 0.166 0.000 1.042 353 Y CB 1.604 40.124 38.460 0.100 0.000 1.302 353 Y HN -0.303 nan 8.280 nan 0.000 0.439 354 T N 5.535 119.875 114.554 -0.357 0.000 2.928 354 T HA 0.263 4.614 4.350 0.001 0.000 0.296 354 T C -1.120 173.312 174.700 -0.445 0.000 1.000 354 T CA -0.703 61.255 62.100 -0.237 0.000 0.989 354 T CB 1.560 70.427 68.868 -0.003 0.000 1.005 354 T HN 0.662 nan 8.240 nan 0.000 0.442 355 E N 2.102 122.107 120.200 -0.326 0.000 2.313 355 E HA 0.279 4.630 4.350 0.001 0.000 0.272 355 E C 0.132 176.678 176.600 -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 30.464 29.700 -0.062 0.000 1.060 355 E HN 0.434 nan 8.360 nan 0.000 0.402 356 K N 2.395 122.765 120.400 -0.051 0.000 2.550 356 K HA -0.133 4.187 4.320 0.001 0.000 0.280 356 K C -0.976 175.598 176.600 -0.044 0.000 0.987 356 K CA 0.789 57.060 56.287 -0.026 0.000 1.048 356 K CB 0.300 32.792 32.500 -0.013 0.000 0.879 356 K HN 0.418 nan 8.250 nan 0.000 0.491 357 D N 3.602 123.962 120.400 -0.066 0.000 2.491 357 D HA 0.114 4.754 4.640 0.001 0.000 0.232 357 D C 0.223 176.452 176.300 -0.117 0.000 1.334 357 D CA -0.446 53.511 54.000 -0.072 0.000 0.909 357 D CB 0.438 41.214 40.800 -0.041 0.000 1.513 357 D HN 0.524 nan 8.370 nan 0.000 0.514 358 R N 0.674 121.069 120.500 -0.176 0.000 2.200 358 R HA -0.089 4.252 4.340 0.001 0.000 0.234 358 R C 1.797 178.001 176.300 -0.160 0.000 1.127 358 R CA 1.219 57.166 56.100 -0.255 0.000 0.989 358 R CB -0.575 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 0.322 115.963 115.700 -0.098 0.000 2.447 359 S HA -0.063 4.407 4.470 0.001 0.000 0.233 359 S C 1.608 176.178 174.600 -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 0.280 120.748 120.500 -0.052 0.000 2.432 360 R HA 0.324 4.665 4.340 0.001 0.000 0.260 360 R C 1.220 177.513 176.300 -0.012 0.000 0.935 360 R CA 0.335 56.419 56.100 -0.028 0.000 1.080 360 R CB 0.336 30.623 30.300 -0.022 0.000 1.155 360 R HN 0.532 nan 8.270 nan 0.000 0.531 361 G N 1.814 110.584 108.800 -0.050 0.000 2.143 361 G HA2 -0.265 3.695 3.960 0.001 0.000 0.248 361 G HA3 -0.265 3.695 3.960 0.001 0.000 0.248 361 G C 0.121 175.077 174.900 0.093 0.000 0.991 361 G CA -0.193 44.904 45.100 -0.005 0.000 0.689 361 G HN 0.272 nan 8.290 nan 0.000 0.522 362 I N 1.013 121.593 120.570 0.015 0.000 2.287 362 I HA 0.306 4.476 4.170 0.001 0.000 0.290 362 I C 1.252 177.381 176.117 0.019 0.000 1.069 362 I CA -0.937 60.422 61.300 0.098 0.000 1.237 362 I CB 0.457 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 5.339 125.578 120.300 -0.103 0.000 2.457 363 Y HA 0.135 4.685 4.550 0.001 0.000 0.292 363 Y C 0.294 175.922 175.900 -0.454 0.000 1.125 363 Y CA 0.430 58.343 58.100 -0.313 0.000 1.254 363 Y CB -0.142 38.001 38.460 -0.529 0.000 1.012 363 Y HN 0.302 nan 8.280 nan 0.000 0.555 364 F N -1.916 118.154 119.950 0.201 0.000 2.599 364 F HA 0.415 4.942 4.527 0.001 0.000 0.311 364 F C 0.215 176.024 175.800 0.015 0.000 1.076 364 F CA -1.628 56.441 58.000 0.115 0.000 0.937 364 F CB 1.112 40.182 39.000 0.116 0.000 1.282 364 F HN -0.515 nan 8.300 nan 0.000 0.460 365 T N 1.569 116.231 114.554 0.179 0.000 2.851 365 T HA 0.335 4.685 4.350 0.001 0.000 0.298 365 T C -0.626 174.034 174.700 -0.067 0.000 0.977 365 T CA -0.168 61.918 62.100 -0.023 0.000 1.126 365 T CB 0.847 69.694 68.868 -0.036 0.000 0.916 365 T HN 0.430 nan 8.240 nan 0.000 0.529 366 Q N 2.035 121.721 119.800 -0.190 0.000 2.340 366 Q HA 0.552 4.893 4.340 0.001 0.000 0.268 366 Q C -1.185 174.631 176.000 -0.306 0.000 1.031 366 Q CA -0.392 55.249 55.803 -0.269 0.000 0.804 366 Q CB 1.478 30.054 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 0.465 4.936 4.470 0.001 0.000 0.301 367 S C -0.756 173.654 174.600 -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 0.824 122.175 121.300 0.085 0.000 2.870 368 W HA 0.227 4.887 4.660 0.001 0.000 0.358 368 W C 0.517 177.060 176.519 0.040 0.000 1.043 368 W CA -0.515 56.857 57.345 0.044 0.000 1.692 368 W CB -0.073 29.406 29.460 0.031 0.000 1.100 368 W HN 0.594 nan 8.180 nan 0.000 0.557 369 V N -0.162 119.877 119.914 0.209 0.000 5.482 369 V HA -0.390 3.730 4.120 0.001 0.000 0.262 369 V C 0.698 176.875 176.094 0.138 0.000 0.664 369 V CA 0.763 63.147 62.300 0.140 0.000 0.609 369 V CB -2.545 29.334 31.823 0.095 0.000 0.306 369 V HN 0.487 nan 8.190 nan 0.000 0.731 370 S N -2.145 113.646 115.700 0.152 0.000 3.382 370 S HA -0.204 4.266 4.470 0.001 0.000 0.293 370 S C 0.651 175.304 174.600 0.089 0.000 1.262 370 S CA 1.312 59.576 58.200 0.107 0.000 0.969 370 S CB -1.812 61.431 63.200 0.070 0.000 1.136 370 S HN 1.487 nan 8.310 nan 0.000 0.635 371 T N 3.776 118.408 114.554 0.130 0.000 2.867 371 T HA 0.320 4.670 4.350 0.001 0.000 0.297 371 T C -1.766 172.920 174.700 -0.023 0.000 0.989 371 T CA -0.487 61.655 62.100 0.069 0.000 1.159 371 T CB 0.368 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 -0.257 62.805 63.100 -0.064 0.000 0.783 372 P CB 0.376 32.051 31.700 -0.043 0.000 0.898 373 G N 0.198 108.929 108.800 -0.115 0.000 2.476 373 G HA2 0.472 4.433 3.960 0.001 0.000 0.286 373 G HA3 0.472 4.433 3.960 0.001 0.000 0.286 373 G C -0.882 173.944 174.900 -0.122 0.000 1.177 373 G CA -0.443 44.562 45.100 -0.158 0.000 0.870 373 G HN 0.353 nan 8.290 nan 0.000 0.528 374 V N 1.540 121.367 119.914 -0.145 0.000 2.472 374 V HA 0.275 4.396 4.120 0.001 0.000 0.290 374 V C -0.113 175.943 176.094 -0.063 0.000 1.037 374 V CA -0.870 61.369 62.300 -0.102 0.000 0.908 374 V CB 1.554 33.289 31.823 -0.146 0.000 0.985 374 V HN 0.538 nan 8.190 nan 0.000 0.454 375 L N 8.416 129.612 121.223 -0.044 0.000 2.313 375 L HA 0.439 4.780 4.340 0.001 0.000 0.282 375 L C -2.026 174.764 176.870 -0.134 0.000 1.092 375 L CA -1.591 53.196 54.840 -0.089 0.000 0.831 375 L CB 0.949 42.920 42.059 -0.145 0.000 1.159 375 L HN 0.450 nan 8.230 nan 0.000 0.442 376 P HA 0.147 nan 4.420 nan 0.000 0.279 376 P C -1.134 175.974 177.300 -0.320 0.000 1.239 376 P CA -0.271 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 2.827 122.528 119.914 -0.354 0.000 2.357 377 V HA 0.486 4.606 4.120 0.001 0.000 0.284 377 V C 0.517 176.264 176.094 -0.578 0.000 1.018 377 V CA -0.834 61.185 62.300 -0.467 0.000 0.841 377 V CB 1.144 32.699 31.823 -0.448 0.000 0.991 377 V HN 0.681 nan 8.190 nan 0.000 0.437 378 A N 3.951 126.398 122.820 -0.622 0.000 2.269 378 A HA 0.786 5.106 4.320 0.001 0.000 0.302 378 A C 0.133 177.434 177.584 -0.472 0.000 1.266 378 A CA -0.157 51.547 52.037 -0.555 0.000 0.894 378 A CB 0.810 19.445 19.000 -0.609 0.000 1.147 378 A HN 0.921 nan 8.150 nan 0.000 0.537 379 S N 1.825 117.299 115.700 -0.377 0.000 2.533 379 S HA 0.722 5.192 4.470 0.001 0.000 0.271 379 S C -0.498 173.994 174.600 -0.179 0.000 1.143 379 S CA 0.389 58.406 58.200 -0.306 0.000 0.891 379 S CB 1.227 64.270 63.200 -0.262 0.000 1.105 379 S HN 2.534 nan 8.310 nan 0.000 0.468 380 G N 1.747 110.439 108.800 -0.180 0.000 2.421 380 G HA2 0.458 4.419 3.960 0.001 0.000 0.360 380 G HA3 0.458 4.419 3.960 0.001 0.000 0.360 380 G C 0.840 175.599 174.900 -0.236 0.000 1.219 380 G CA 0.350 45.357 45.100 -0.155 0.000 1.257 380 G HN 2.166 nan 8.290 nan 0.000 0.609 381 G N -0.084 108.603 108.800 -0.189 0.000 2.147 381 G HA2 -0.056 3.905 3.960 0.001 0.000 0.244 381 G HA3 -0.056 3.905 3.960 0.001 0.000 0.244 381 G C 0.576 175.458 174.900 -0.030 0.000 1.005 381 G CA 0.820 45.795 45.100 -0.207 0.000 0.713 381 G HN 2.172 nan 8.290 nan 0.000 0.515 382 I N -1.842 118.709 120.570 -0.032 0.000 2.676 382 I HA 0.955 5.125 4.170 0.001 0.000 0.309 382 I C 0.248 176.585 176.117 0.366 0.000 0.990 382 I CA -1.325 60.034 61.300 0.097 0.000 1.168 382 I CB 1.577 39.503 38.000 -0.122 0.000 1.343 382 I HN 0.339 nan 8.210 nan 0.000 0.482 383 H N 0.926 120.318 119.070 0.536 0.000 2.942 383 H HA 0.429 4.985 4.556 0.001 0.000 0.316 383 H C 0.655 176.034 175.328 0.084 0.000 1.323 383 H CA -0.478 55.618 56.048 0.080 0.000 1.144 383 H CB 0.693 30.244 29.762 -0.352 0.000 1.866 383 H HN 0.379 nan 8.280 nan 0.000 0.545 384 V N -2.764 117.190 119.914 0.067 0.000 2.363 384 V HA -0.306 3.814 4.120 0.001 0.000 0.254 384 V C 1.297 177.342 176.094 -0.081 0.000 1.074 384 V CA 2.029 64.263 62.300 -0.110 0.000 1.069 384 V CB -1.265 30.410 31.823 -0.247 0.000 0.659 384 V HN 0.810 nan 8.190 nan 0.000 0.455 385 W N -0.442 120.953 121.300 0.159 0.000 2.525 385 W HA 0.055 4.715 4.660 0.000 0.000 0.259 385 W C 2.577 179.054 176.519 -0.070 0.000 1.253 385 W CA 0.980 58.340 57.345 0.025 0.000 1.262 385 W CB -0.368 29.130 29.460 0.063 0.000 1.122 385 W HN 0.367 nan 8.180 nan 0.000 0.607 386 H N -0.907 118.236 119.070 0.122 0.000 2.551 386 H HA 0.023 4.579 4.556 0.001 0.000 0.266 386 H C 1.896 177.294 175.328 0.116 0.000 0.964 386 H CA 0.814 56.905 56.048 0.071 0.000 1.180 386 H CB -0.263 29.487 29.762 -0.020 0.000 1.408 386 H HN 0.154 nan 8.280 nan 0.000 0.563 387 M N 1.375 121.111 119.600 0.227 0.000 2.108 387 M HA -0.092 4.389 4.480 0.001 0.000 0.257 387 M C -0.919 175.471 176.300 0.149 0.000 1.071 387 M CA 1.694 57.100 55.300 0.177 0.000 1.093 387 M CB -0.841 31.804 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 65.096 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 -0.563 122.335 122.820 0.131 0.000 1.898 389 A HA -0.147 4.173 4.320 0.001 0.000 0.216 389 A C 2.166 179.802 177.584 0.088 0.000 1.181 389 A CA 1.356 53.452 52.037 0.099 0.000 0.620 389 A CB -1.635 17.436 19.000 0.119 0.000 0.819 389 A HN 0.094 nan 8.150 nan 0.000 0.442 390 L N -0.760 120.550 121.223 0.145 0.000 2.017 390 L HA -0.156 4.185 4.340 0.001 0.000 0.208 390 L C 2.737 179.734 176.870 0.211 0.000 1.073 390 L CA 1.797 56.765 54.840 0.214 0.000 0.745 390 L CB -0.934 41.256 42.059 0.218 0.000 0.894 390 L HN 0.327 nan 8.230 nan 0.000 0.432 391 T N -1.203 113.443 114.554 0.153 0.000 2.833 391 T HA -0.193 4.157 4.350 0.001 0.000 0.269 391 T C 1.795 176.549 174.700 0.088 0.000 1.054 391 T CA 1.152 63.327 62.100 0.126 0.000 1.135 391 T CB -0.087 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 0.771 121.006 120.200 0.057 0.000 2.076 392 E HA -0.021 4.330 4.350 0.001 0.000 0.190 392 E C 2.179 178.749 176.600 -0.050 0.000 0.979 392 E CA 0.662 57.071 56.400 0.013 0.000 0.807 392 E CB -0.087 29.621 29.700 0.014 0.000 0.761 392 E HN 0.480 nan 8.360 nan 0.000 0.454 393 I N -0.019 120.478 120.570 -0.122 0.000 2.233 393 I HA -0.220 3.950 4.170 0.001 0.000 0.243 393 I C 1.966 177.819 176.117 -0.440 0.000 1.093 393 I CA 1.028 62.121 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 0.001 0.000 0.292 394 F C 1.577 177.375 175.800 -0.004 0.000 1.096 394 F CA 0.682 58.673 58.000 -0.016 0.000 1.438 394 F CB -0.734 38.250 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 0.001 0.000 0.220 395 G HA3 -0.249 3.711 3.960 0.001 0.000 0.220 395 G C 0.115 175.078 174.900 0.106 0.000 1.357 395 G CA -0.107 45.056 45.100 0.105 0.000 0.866 395 G HN 0.094 nan 8.290 nan 0.000 0.548 396 D N 0.385 120.832 120.400 0.079 0.000 2.144 396 D HA 0.005 4.646 4.640 0.001 0.000 0.199 396 D C 0.949 177.283 176.300 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 0.403 nan 8.370 nan 0.000 0.465 397 D N 0.691 121.127 120.400 0.060 0.000 2.558 397 D HA 0.180 4.821 4.640 0.001 0.000 0.221 397 D C -0.007 176.300 176.300 0.012 0.000 1.143 397 D CA 0.072 54.094 54.000 0.037 0.000 1.010 397 D CB 0.026 40.850 40.800 0.041 0.000 1.068 397 D HN 0.030 nan 8.370 nan 0.000 0.511 398 S N -1.224 114.457 115.700 -0.030 0.000 2.611 398 S HA 0.594 5.065 4.470 0.001 0.000 0.268 398 S C -1.019 173.494 174.600 -0.145 0.000 1.156 398 S CA -0.917 57.208 58.200 -0.125 0.000 0.817 398 S CB 1.735 64.848 63.200 -0.145 0.000 1.122 398 S HN -0.070 nan 8.310 nan 0.000 0.466 399 V N 1.679 121.454 119.914 -0.231 0.000 2.444 399 V HA 0.491 4.611 4.120 0.001 0.000 0.294 399 V C -0.858 175.102 176.094 -0.223 0.000 1.022 399 V CA -0.598 61.606 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 5.135 126.266 121.223 -0.154 0.000 2.272 400 L HA 0.590 4.930 4.340 0.001 0.000 0.289 400 L C -0.166 176.491 176.870 -0.354 0.000 1.032 400 L CA -0.333 54.337 54.840 -0.283 0.000 0.810 400 L CB 1.366 43.359 42.059 -0.110 0.000 1.205 400 L HN 0.613 nan 8.230 nan 0.000 0.422 401 Q N 3.193 122.659 119.800 -0.556 0.000 2.316 401 Q HA 0.556 4.896 4.340 0.001 0.000 0.264 401 Q C -1.503 174.100 176.000 -0.662 0.000 0.987 401 Q CA -0.433 55.116 55.803 -0.422 0.000 0.852 401 Q CB 2.442 31.048 28.738 -0.219 0.000 1.287 401 Q HN 0.399 nan 8.270 nan 0.000 0.448 402 F N 0.905 120.823 119.950 -0.052 0.000 2.532 402 F HA 0.367 4.894 4.527 0.000 0.000 0.365 402 F C 0.851 176.623 175.800 -0.045 0.000 1.112 402 F CA -0.686 57.279 58.000 -0.058 0.000 1.082 402 F CB 1.305 40.268 39.000 -0.062 0.000 1.319 402 F HN 0.747 nan 8.300 nan 0.000 0.457 403 G N 1.558 110.402 108.800 0.073 0.000 2.572 403 G HA2 0.045 4.005 3.960 0.001 0.000 0.214 403 G HA3 0.045 4.005 3.960 0.001 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 0.058 0.000 0.835 403 G HN 0.753 nan 8.290 nan 0.000 0.551 404 G N 0.643 109.478 108.800 0.059 0.000 2.432 404 G HA2 0.094 4.054 3.960 0.001 0.000 0.219 404 G HA3 0.094 4.054 3.960 0.001 0.000 0.219 404 G C 1.664 176.600 174.900 0.060 0.000 1.135 404 G CA 1.283 46.430 45.100 0.079 0.000 0.767 404 G HN 0.668 nan 8.290 nan 0.000 0.550 405 G N -0.666 108.116 108.800 -0.031 0.000 2.708 405 G HA2 0.129 4.089 3.960 0.001 0.000 0.210 405 G HA3 0.129 4.089 3.960 0.001 0.000 0.210 405 G C 1.393 176.308 174.900 0.024 0.000 1.141 405 G CA 1.564 46.536 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 0.128 0.000 3.138 406 T HA 0.098 4.448 4.350 0.001 0.000 0.245 406 T C 1.923 176.721 174.700 0.164 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 1.653 122.956 121.223 0.133 0.000 2.622 407 L HA 0.265 4.605 4.340 0.001 0.000 0.233 407 L C 2.194 179.173 176.870 0.182 0.000 1.156 407 L CA 0.826 55.739 54.840 0.121 0.000 0.866 407 L CB -0.226 41.874 42.059 0.068 0.000 0.980 407 L HN 0.367 nan 8.230 nan 0.000 0.448 408 G N -3.031 105.944 108.800 0.292 0.000 3.126 408 G HA2 -0.068 3.893 3.960 0.001 0.000 0.224 408 G HA3 -0.068 3.893 3.960 0.001 0.000 0.224 408 G C 0.528 175.638 174.900 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 2.033 121.241 119.070 0.230 0.000 2.815 409 H HA 0.092 4.648 4.556 0.001 0.000 0.350 409 H C -1.045 174.253 175.328 -0.050 0.000 1.080 409 H CA -1.169 54.888 56.048 0.016 0.000 1.433 409 H CB 2.011 31.782 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 0.696 178.259 177.300 0.437 0.000 1.146 410 P CA 1.113 64.251 63.100 0.063 0.000 0.808 410 P CB 0.074 31.705 31.700 -0.116 0.000 0.779 411 W N 0.413 121.923 121.300 0.350 0.000 3.278 411 W HA 0.487 5.147 4.660 -0.000 0.000 0.308 411 W C 1.177 177.716 176.519 0.033 0.000 1.253 411 W CA 0.488 57.918 57.345 0.141 0.000 1.759 411 W CB -0.681 28.843 29.460 0.107 0.000 1.093 411 W HN 0.072 nan 8.180 nan 0.000 0.648 412 G N 0.694 109.641 108.800 0.245 0.000 2.483 412 G HA2 -0.274 3.687 3.960 0.001 0.000 0.521 412 G HA3 -0.274 3.687 3.960 0.001 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 0.001 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 1.613 124.368 122.820 -0.108 0.000 1.865 414 A HA -0.069 4.252 4.320 0.001 0.000 0.217 414 A C -0.180 177.321 177.584 -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 -0.562 0.000 1.149 415 P CA 1.547 64.484 63.100 -0.272 0.000 0.817 415 P CB -0.277 31.324 31.700 -0.165 0.000 0.785 416 G N 0.042 108.524 108.800 -0.531 0.000 2.408 416 G HA2 -0.209 3.751 3.960 0.001 0.000 0.217 416 G HA3 -0.209 3.751 3.960 0.001 0.000 0.217 416 G C 1.587 176.395 174.900 -0.154 0.000 1.150 416 G CA 0.836 45.742 45.100 -0.324 0.000 0.776 416 G HN 0.299 nan 8.290 nan 0.000 0.542 417 A N 0.218 122.953 122.820 -0.141 0.000 1.872 417 A HA 0.144 4.465 4.320 0.001 0.000 0.214 417 A C 2.574 180.089 177.584 -0.115 0.000 1.187 417 A CA 1.588 53.562 52.037 -0.106 0.000 0.614 417 A CB -0.616 18.331 19.000 -0.089 0.000 0.826 417 A HN 0.221 nan 8.150 nan 0.000 0.442 418 V N 0.199 120.041 119.914 -0.120 0.000 2.332 418 V HA -0.304 3.816 4.120 0.001 0.000 0.248 418 V C 3.050 179.076 176.094 -0.114 0.000 1.055 418 V CA 1.985 64.230 62.300 -0.092 0.000 1.038 418 V CB -1.346 30.435 31.823 -0.070 0.000 0.651 418 V HN 0.621 nan 8.190 nan 0.000 0.450 419 A N 0.631 123.362 122.820 -0.148 0.000 1.865 419 A HA -0.318 4.003 4.320 0.001 0.000 0.217 419 A C 2.038 179.508 177.584 -0.189 0.000 1.191 419 A CA 2.605 54.550 52.037 -0.153 0.000 0.623 419 A CB -0.910 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 -1.278 117.288 118.700 -0.225 0.000 2.188 420 N HA -0.144 4.596 4.740 0.001 0.000 0.184 420 N C 1.926 177.321 175.510 -0.192 0.000 1.018 420 N CA 1.338 54.187 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 0.001 0.000 0.232 421 R C 1.671 177.955 176.300 -0.026 0.000 1.126 421 R CA 0.993 57.060 56.100 -0.054 0.000 0.963 421 R CB -0.668 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 0.721 120.613 119.914 -0.037 0.000 2.307 422 V HA -0.143 3.978 4.120 0.001 0.000 0.245 422 V C 2.324 178.399 176.094 -0.031 0.000 1.045 422 V CA 1.815 64.122 62.300 0.011 0.000 1.024 422 V CB -0.854 30.937 31.823 -0.053 0.000 0.651 422 V HN 0.528 nan 8.190 nan 0.000 0.449 423 A N -0.204 122.544 122.820 -0.120 0.000 1.908 423 A HA -0.240 4.080 4.320 0.001 0.000 0.218 423 A C 2.178 179.735 177.584 -0.045 0.000 1.181 423 A CA 2.329 54.289 52.037 -0.128 0.000 0.627 423 A CB -0.580 18.302 19.000 -0.198 0.000 0.818 423 A HN 0.474 nan 8.150 nan 0.000 0.445 424 L N -0.181 121.026 121.223 -0.027 0.000 2.027 424 L HA -0.101 4.239 4.340 0.001 0.000 0.206 424 L C 2.220 179.115 176.870 0.042 0.000 1.074 424 L CA 2.312 57.166 54.840 0.023 0.000 0.745 424 L CB -0.533 41.546 42.059 0.034 0.000 0.898 424 L HN 0.491 nan 8.230 nan 0.000 0.433 425 E N -0.365 119.863 120.200 0.048 0.000 2.204 425 E HA -0.199 4.152 4.350 0.001 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 0.768 123.650 122.820 0.103 0.000 1.902 426 A HA -0.185 4.135 4.320 0.001 0.000 0.217 426 A C 2.410 180.044 177.584 0.083 0.000 1.181 426 A CA 1.135 53.246 52.037 0.123 0.000 0.623 426 A CB -0.738 18.334 19.000 0.121 0.000 0.818 426 A HN 0.347 nan 8.150 nan 0.000 0.443 427 C N -1.429 117.909 119.300 0.062 0.000 2.440 427 C HA -0.016 4.444 4.460 0.001 0.000 0.278 427 C C 2.725 177.750 174.990 0.059 0.000 1.295 427 C CA 0.858 59.912 59.018 0.061 0.000 1.738 427 C CB -1.196 26.581 27.740 0.061 0.000 1.987 427 C HN 0.445 nan 8.230 nan 0.000 0.492 428 V N 0.637 120.586 119.914 0.058 0.000 2.295 428 V HA -0.281 3.840 4.120 0.001 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 -0.857 30.997 31.823 0.051 0.000 0.648 428 V HN 0.622 nan 8.190 nan 0.000 0.447 429 Q N -0.178 119.652 119.800 0.050 0.000 2.061 429 Q HA -0.243 4.098 4.340 0.001 0.000 0.204 429 Q C 2.264 178.289 176.000 0.043 0.000 0.984 429 Q CA 2.225 58.054 55.803 0.043 0.000 0.846 429 Q CB -0.312 28.453 28.738 0.044 0.000 0.902 429 Q HN 0.622 nan 8.270 nan 0.000 0.421 430 A N 1.507 124.358 122.820 0.052 0.000 1.865 430 A HA -0.257 4.064 4.320 0.001 0.000 0.217 430 A C 2.162 179.772 177.584 0.043 0.000 1.191 430 A CA 1.745 53.812 52.037 0.050 0.000 0.623 430 A CB -0.847 18.188 19.000 0.058 0.000 0.826 430 A HN 0.496 nan 8.150 nan 0.000 0.444 431 R N 0.032 120.559 120.500 0.044 0.000 2.083 431 R HA -0.171 4.169 4.340 0.001 0.000 0.237 431 R C 1.893 178.213 176.300 0.033 0.000 1.137 431 R CA 1.979 58.102 56.100 0.039 0.000 0.951 431 R CB -0.602 29.723 30.300 0.042 0.000 0.851 431 R HN 0.724 nan 8.270 nan 0.000 0.434 432 N N 0.004 118.724 118.700 0.033 0.000 2.289 432 N HA -0.153 4.588 4.740 0.001 0.000 0.184 432 N C 1.102 176.626 175.510 0.023 0.000 1.016 432 N CA 1.035 54.102 53.050 0.028 0.000 0.872 432 N CB 0.018 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 -0.566 119.649 120.200 0.025 0.000 2.481 433 E HA 0.028 4.378 4.350 0.001 0.000 0.195 433 E C 1.052 177.665 176.600 0.021 0.000 1.047 433 E CA 0.188 56.601 56.400 0.022 0.000 0.867 433 E CB 0.357 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 1.450 110.264 108.800 0.024 0.000 2.231 434 G HA2 -0.216 3.744 3.960 0.001 0.000 0.206 434 G HA3 -0.216 3.744 3.960 0.001 0.000 0.206 434 G C 0.269 175.184 174.900 0.025 0.000 0.996 434 G CA -0.485 44.628 45.100 0.022 0.000 0.645 434 G HN 0.052 nan 8.290 nan 0.000 0.498 435 R N 0.913 121.430 120.500 0.029 0.000 2.694 435 R HA 0.302 4.642 4.340 0.001 0.000 0.268 435 R C -0.747 175.572 176.300 0.033 0.000 1.061 435 R CA -0.121 55.999 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 3.046 123.465 120.400 0.032 0.000 2.428 436 D HA 0.061 4.701 4.640 0.001 0.000 0.221 436 D C 1.232 177.554 176.300 0.038 0.000 1.123 436 D CA -0.176 53.843 54.000 0.031 0.000 0.869 436 D CB 0.773 41.589 40.800 0.026 0.000 1.032 436 D HN 0.417 nan 8.370 nan 0.000 0.506 437 L N 2.956 124.203 121.223 0.041 0.000 2.187 437 L HA -0.199 4.142 4.340 0.001 0.000 0.213 437 L C 2.377 179.278 176.870 0.053 0.000 1.100 437 L CA 1.217 56.087 54.840 0.051 0.000 0.765 437 L CB -0.310 41.780 42.059 0.053 0.000 0.904 437 L HN 0.409 nan 8.230 nan 0.000 0.437 438 A N 0.180 123.024 122.820 0.040 0.000 1.898 438 A HA -0.159 4.162 4.320 0.001 0.000 0.216 438 A C 2.401 180.008 177.584 0.038 0.000 1.181 438 A CA 1.369 53.427 52.037 0.036 0.000 0.620 438 A CB -0.271 18.743 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 4.402 4.340 0.001 0.000 0.214 439 R C 1.183 177.509 176.300 0.043 0.000 1.091 439 R CA 1.100 57.219 56.100 0.033 0.000 1.007 439 R CB -0.036 30.279 30.300 0.026 0.000 0.912 439 R HN 0.571 nan 8.270 nan 0.000 0.450 440 E N 0.267 120.496 120.200 0.048 0.000 2.437 440 E HA 0.081 4.432 4.350 0.001 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 0.585 30.316 29.700 0.053 0.000 1.011 440 E HN 0.386 nan 8.360 nan 0.000 0.474 441 G N 2.712 111.563 108.800 0.085 0.000 2.586 441 G HA2 -0.372 3.589 3.960 0.001 0.000 0.218 441 G HA3 -0.372 3.589 3.960 0.001 0.000 0.218 441 G C 1.320 176.317 174.900 0.163 0.000 1.216 441 G CA 1.196 46.365 45.100 0.115 0.000 0.786 441 G HN 0.292 nan 8.290 nan 0.000 0.583 442 N N -0.311 118.501 118.700 0.186 0.000 2.309 442 N HA -0.054 4.686 4.740 0.001 0.000 0.182 442 N C 2.168 177.821 175.510 0.239 0.000 1.018 442 N CA 1.183 54.410 53.050 0.296 0.000 0.876 442 N CB -0.089 38.509 38.487 0.184 0.000 0.972 442 N HN 0.271 nan 8.380 nan 0.000 0.434 443 T N 1.167 115.805 114.554 0.141 0.000 2.812 443 T HA 0.010 4.361 4.350 0.001 0.000 0.264 443 T C 1.964 176.722 174.700 0.097 0.000 1.042 443 T CA 0.657 62.822 62.100 0.108 0.000 1.140 443 T CB -0.098 68.816 68.868 0.077 0.000 0.870 443 T HN 0.164 nan 8.240 nan 0.000 0.445 444 I N 0.895 121.519 120.570 0.091 0.000 2.179 444 I HA -0.154 4.016 4.170 0.001 0.000 0.242 444 I C 2.178 178.314 176.117 0.032 0.000 1.088 444 I CA 0.948 62.291 61.300 0.071 0.000 1.357 444 I CB -0.354 37.688 38.000 0.070 0.000 1.051 444 I HN 0.178 nan 8.210 nan 0.000 0.409 445 I N 0.472 121.049 120.570 0.012 0.000 2.202 445 I HA -0.252 3.919 4.170 0.001 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 1.405 121.913 120.500 0.012 0.000 2.091 446 R HA -0.180 4.160 4.340 0.001 0.000 0.238 446 R C 2.140 178.432 176.300 -0.013 0.000 1.136 446 R CA 1.553 57.683 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 -0.686 119.524 120.200 0.016 0.000 2.077 447 E HA -0.169 4.181 4.350 0.001 0.000 0.193 447 E C 1.902 178.492 176.600 -0.018 0.000 0.989 447 E CA 1.223 57.651 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 -0.171 4.149 4.320 0.001 0.000 0.218 448 A C 2.419 179.495 177.584 -0.846 0.000 1.169 448 A CA 1.874 53.595 52.037 -0.527 0.000 0.635 448 A CB -1.052 17.703 19.000 -0.408 0.000 0.810 448 A HN 0.402 nan 8.150 nan 0.000 0.445 449 T N -2.313 111.963 114.554 -0.463 0.000 2.946 449 T HA -0.112 4.239 4.350 0.001 0.000 0.271 449 T C 1.528 176.047 174.700 -0.302 0.000 1.104 449 T CA 1.425 63.295 62.100 -0.383 0.000 1.114 449 T CB -0.238 68.489 68.868 -0.235 0.000 0.867 449 T HN 0.299 nan 8.240 nan 0.000 0.513 450 K N 0.779 121.033 120.400 -0.243 0.000 2.288 450 K HA 0.055 4.376 4.320 0.001 0.000 0.201 450 K C 1.708 178.319 176.600 0.018 0.000 1.048 450 K CA 0.835 57.088 56.287 -0.058 0.000 0.956 450 K CB -0.240 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 -0.836 120.462 121.300 -0.003 0.000 2.714 451 W HA 0.390 5.051 4.660 0.001 0.000 0.353 451 W C -0.137 176.384 176.519 0.003 0.000 0.999 451 W CA -0.518 56.829 57.345 0.003 0.000 1.629 451 W CB -0.020 29.441 29.460 0.001 0.000 1.106 451 W HN -0.154 nan 8.180 nan 0.000 0.545 452 S N 2.710 118.139 115.700 -0.452 0.000 2.622 452 S HA 0.401 4.871 4.470 0.001 0.000 0.283 452 S C -1.636 172.837 174.600 -0.211 0.000 1.197 452 S CA -1.205 56.781 58.200 -0.357 0.000 1.146 452 S CB 1.283 64.032 63.200 -0.751 0.000 1.007 452 S HN -0.288 nan 8.310 nan 0.000 0.478 453 P HA -0.072 nan 4.420 nan 0.000 0.218 453 P C 0.906 178.119 177.300 -0.144 0.000 1.148 453 P CA 1.032 64.151 63.100 0.033 0.000 0.822 453 P CB 0.243 32.100 31.700 0.261 0.000 0.784 454 E N -0.697 119.422 120.200 -0.134 0.000 2.051 454 E HA -0.153 4.198 4.350 0.001 0.000 0.192 454 E C 1.835 178.277 176.600 -0.264 0.000 0.991 454 E CA 0.793 57.027 56.400 -0.277 0.000 0.799 454 E CB -1.247 28.375 29.700 -0.131 0.000 0.748 454 E HN 0.102 nan 8.360 nan 0.000 0.449 455 L N 0.622 121.679 121.223 -0.277 0.000 2.046 455 L HA -0.056 4.284 4.340 0.001 0.000 0.208 455 L C 2.047 178.710 176.870 -0.344 0.000 1.077 455 L CA 2.038 56.689 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 -0.224 122.399 122.820 -0.327 0.000 1.892 456 A HA -0.241 4.079 4.320 0.001 0.000 0.218 456 A C 2.464 179.861 177.584 -0.313 0.000 1.188 456 A CA 2.430 54.303 52.037 -0.273 0.000 0.631 456 A CB -1.345 17.541 19.000 -0.190 0.000 0.822 456 A HN 0.600 nan 8.150 nan 0.000 0.447 457 A N -0.646 121.903 122.820 -0.452 0.000 1.972 457 A HA 0.205 4.526 4.320 0.001 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 17.550 19.000 -1.009 0.000 0.810 457 A HN 1.092 nan 8.150 nan 0.000 0.446 458 A N -1.189 121.228 122.820 -0.670 0.000 1.929 458 A HA -0.096 4.224 4.320 0.001 0.000 0.216 458 A C 2.257 179.625 177.584 -0.360 0.000 1.176 458 A CA 1.426 53.105 52.037 -0.596 0.000 0.628 458 A CB -1.186 17.713 19.000 -0.168 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 -0.286 0.000 2.413 459 C HA -0.131 4.330 4.460 0.001 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 -1.291 26.329 27.740 -0.200 0.000 2.017 459 C HN 0.695 nan 8.230 nan 0.000 0.481 460 E N 0.168 120.302 120.200 -0.110 0.000 2.058 460 E HA -0.202 4.148 4.350 0.001 0.000 0.194 460 E C 2.096 178.565 176.600 -0.219 0.000 0.997 460 E CA 1.596 57.921 56.400 -0.125 0.000 0.801 460 E CB -0.236 29.358 29.700 -0.177 0.000 0.746 460 E HN 0.492 nan 8.360 nan 0.000 0.450 461 V N 0.256 119.893 119.914 -0.463 0.000 2.343 461 V HA -0.204 3.916 4.120 0.001 0.000 0.247 461 V C 1.399 177.131 176.094 -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 -0.369 120.857 121.300 -0.123 0.000 3.005 462 W HA 0.332 4.992 4.660 0.001 0.000 0.374 462 W C 1.898 178.337 176.519 -0.134 0.000 1.076 462 W CA -0.784 56.410 57.345 -0.250 0.000 1.794 462 W CB -0.334 28.740 29.460 -0.644 0.000 1.113 462 W HN 0.279 nan 8.180 nan 0.000 0.584 463 K N 1.520 122.008 120.400 0.146 0.000 2.107 463 K HA -0.227 4.093 4.320 0.001 0.000 0.211 463 K C 1.136 177.609 176.600 -0.213 0.000 1.049 463 K CA 1.906 58.133 56.287 -0.100 0.000 0.927 463 K CB 0.217 32.663 32.500 -0.089 0.000 0.714 463 K HN -0.117 nan 8.250 nan 0.000 0.452 464 E N 0.419 120.552 120.200 -0.111 0.000 2.444 464 E HA 0.046 4.397 4.350 0.001 0.000 0.191 464 E C -0.242 176.311 176.600 -0.079 0.000 1.041 464 E CA 0.040 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 1.676 122.231 120.570 -0.024 0.000 2.325 465 I HA 0.251 4.422 4.170 0.001 0.000 0.291 465 I C 0.416 176.546 176.117 0.020 0.000 1.019 465 I CA -0.187 61.096 61.300 -0.029 0.000 1.302 465 I CB 0.351 38.379 38.000 0.046 0.000 1.401 465 I HN -0.270 nan 8.210 nan 0.000 0.485 466 K N 5.429 125.703 120.400 -0.209 0.000 2.482 466 K HA 0.627 4.947 4.320 0.001 0.000 0.257 466 K C -1.579 174.815 176.600 -0.344 0.000 0.969 466 K CA -0.625 55.607 56.287 -0.091 0.000 0.842 466 K CB 2.741 35.222 32.500 -0.033 0.000 1.359 466 K HN 0.185 nan 8.250 nan 0.000 0.441 467 F N 1.564 121.634 119.950 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 0.208 0.000 1.118 467 F CA -0.564 57.584 58.000 0.247 0.000 1.037 467 F CB 1.628 40.779 39.000 0.252 0.000 1.276 467 F HN 0.265 nan 8.300 nan 0.000 0.446 468 E N 3.954 124.249 120.200 0.157 0.000 2.255 468 E HA 0.582 4.932 4.350 0.001 0.000 0.256 468 E C -1.371 175.118 176.600 -0.184 0.000 0.887 468 E CA -0.541 55.891 56.400 0.054 0.000 0.782 468 E CB 2.012 31.686 29.700 -0.044 0.000 1.214 468 E HN 0.306 nan 8.360 nan 0.000 0.417 469 F N 1.517 121.516 119.950 0.081 0.000 2.643 469 F HA 0.431 4.958 4.527 0.000 0.000 0.314 469 F C -1.942 173.889 175.800 0.052 0.000 1.096 469 F CA -1.937 56.101 58.000 0.063 0.000 0.953 469 F CB 0.820 39.862 39.000 0.070 0.000 1.345 469 F HN 0.267 nan 8.300 nan 0.000 0.468 470 P HA 0.429 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 0.875 32.644 31.700 0.114 0.000 0.901 471 A N 2.692 125.578 122.820 0.109 0.000 2.316 471 A HA 0.411 4.732 4.320 0.001 0.000 0.284 471 A C 1.215 178.847 177.584 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 4.566 4.480 0.001 0.000 0.265 472 M C 0.176 176.525 176.300 0.082 0.000 1.122 472 M CA 0.874 56.213 55.300 0.064 0.000 1.157 472 M CB -1.123 31.504 32.600 0.045 0.000 1.352 472 M HN 0.833 nan 8.290 nan 0.000 0.464 473 D N 2.052 122.513 120.400 0.102 0.000 2.427 473 D HA 0.308 4.949 4.640 0.001 0.000 0.226 473 D C -0.654 175.738 176.300 0.154 0.000 1.076 473 D CA -0.052 54.035 54.000 0.146 0.000 0.849 473 D CB 1.041 41.947 40.800 0.177 0.000 1.052 473 D HN 0.157 nan 8.370 nan 0.000 0.515 474 T N -0.187 114.444 114.554 0.129 0.000 2.916 474 T HA 0.540 4.890 4.350 0.001 0.000 0.292 474 T C 0.402 175.159 174.700 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 0.001 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