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_L DATA FIRST_RESID 9 DATA SEQUENCE ASVGFKAGVK DYKLTYYTPE YETLDTDILA AFRVSPQPGV PPEEAGAAVA DATA SEQUENCE AESSTGTWTT VWTDGLTNLD RYKGRCYHIE PVAGEENQYI CYVAYPLDLF DATA SEQUENCE EEGSVTNMFT SIVGNVFGFK ALRALRLEDL RIPVAYVKTF QGPPHGIQVE DATA SEQUENCE RDKLNKYGRP LLGCTIKPKL GLSAKNYGRA VYECLRGGLD FTKDDENVNS DATA SEQUENCE QPFMRWRDRF LFCAEALYKA QAETGEIKGH YLNATAGTCE DMMKRAVFAR DATA SEQUENCE ELGVPIVMHD YLTGGFTANT TLSHYCRDNG LLLHIHRAMH AVIDRQKNHG DATA SEQUENCE MHFRVLAKAL RLSGGDHIHS GTVVGKLEGE RDITLGFVDL LRDDYTEKDR DATA SEQUENCE SRGIYFTQSW VSTPGVLPVA SGGIHVWHMP ALTEIFGDDS VLQFGGGTLG DATA SEQUENCE HPWGNAPGAV ANRVALEACV QARNEGRDLA REGNTIIREA TKWSPELAAA DATA SEQUENCE CEVWKEIKFE FPAMDTV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 A HA 0.000 nan 4.320 nan 0.000 0.244 9 A C 0.000 177.599 177.584 0.024 0.000 1.274 9 A CA 0.000 52.047 52.037 0.017 0.000 0.836 9 A CB 0.000 19.009 19.000 0.014 0.000 0.831 10 S N 0.728 116.447 115.700 0.032 0.000 3.494 10 S HA -0.011 4.459 4.470 -0.000 0.000 0.161 10 S C 0.556 175.185 174.600 0.049 0.000 0.413 10 S CA 0.465 58.692 58.200 0.046 0.000 1.399 10 S CB -1.809 61.419 63.200 0.048 0.000 1.004 10 S HN 2.202 nan 8.310 nan 0.000 0.280 11 V N 3.253 123.194 119.914 0.046 0.000 2.999 11 V HA 0.516 4.636 4.120 -0.000 0.000 0.307 11 V C 1.448 177.585 176.094 0.070 0.000 1.084 11 V CA 0.550 62.876 62.300 0.045 0.000 1.155 11 V CB 0.478 32.324 31.823 0.037 0.000 0.975 11 V HN 1.064 nan 8.190 nan 0.000 0.490 12 G N 4.031 112.869 108.800 0.064 0.000 2.750 12 G HA2 0.174 4.134 3.960 -0.000 0.000 0.250 12 G HA3 0.174 4.134 3.960 -0.000 0.000 0.250 12 G C -0.751 174.245 174.900 0.160 0.000 1.230 12 G CA -0.092 45.064 45.100 0.095 0.000 0.883 12 G HN 0.947 nan 8.290 nan 0.000 0.573 13 F N 0.152 120.122 119.950 0.033 0.000 2.436 13 F HA 0.699 5.226 4.527 -0.000 0.000 0.340 13 F C -0.190 175.627 175.800 0.028 0.000 1.113 13 F CA -1.725 56.306 58.000 0.051 0.000 1.022 13 F CB 2.131 41.188 39.000 0.094 0.000 1.128 13 F HN 0.333 nan 8.300 nan 0.000 0.466 14 K N 5.422 125.500 120.400 -0.538 0.000 2.613 14 K HA 0.712 5.032 4.320 -0.000 0.000 0.248 14 K C -1.136 175.039 176.600 -0.709 0.000 0.959 14 K CA -0.377 55.558 56.287 -0.586 0.000 0.855 14 K CB 1.209 33.569 32.500 -0.234 0.000 1.143 14 K HN 0.828 nan 8.250 nan 0.000 0.437 15 A N 2.455 124.743 122.820 -0.886 0.000 2.429 15 A HA 0.628 4.948 4.320 -0.000 0.000 0.242 15 A C 0.561 178.012 177.584 -0.222 0.000 1.088 15 A CA 0.855 52.611 52.037 -0.468 0.000 0.784 15 A CB -0.459 18.374 19.000 -0.279 0.000 1.038 15 A HN 1.444 nan 8.150 nan 0.000 0.501 16 G N -1.933 106.787 108.800 -0.133 0.000 2.428 16 G HA2 0.443 4.403 3.960 -0.000 0.000 0.681 16 G HA3 0.443 4.403 3.960 -0.000 0.000 0.681 16 G C -0.567 174.270 174.900 -0.106 0.000 1.340 16 G CA -0.155 44.886 45.100 -0.098 0.000 0.915 16 G HN 2.254 nan 8.290 nan 0.000 0.645 17 V N 0.034 119.906 119.914 -0.069 0.000 2.509 17 V HA 0.938 5.058 4.120 -0.000 0.000 0.284 17 V C 0.209 176.260 176.094 -0.072 0.000 1.047 17 V CA 0.380 62.633 62.300 -0.078 0.000 0.952 17 V CB 1.199 33.039 31.823 0.028 0.000 0.988 17 V HN 1.334 nan 8.190 nan 0.000 0.469 18 K N 2.928 123.264 120.400 -0.105 0.000 2.480 18 K HA 0.568 4.888 4.320 -0.000 0.000 0.258 18 K C -1.233 175.287 176.600 -0.133 0.000 0.990 18 K CA -0.933 55.303 56.287 -0.085 0.000 0.857 18 K CB 1.671 34.140 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 -0.000 0.000 0.237 19 D C 0.579 176.876 176.300 -0.005 0.000 1.141 19 D CA 0.281 54.241 54.000 -0.066 0.000 0.875 19 D CB 0.202 41.000 40.800 -0.003 0.000 1.192 19 D HN 0.438 nan 8.370 nan 0.000 0.450 20 Y N 1.294 121.630 120.300 0.060 0.000 2.293 20 Y HA -0.180 4.370 4.550 -0.000 0.000 0.291 20 Y C 2.240 178.251 175.900 0.185 0.000 1.137 20 Y CA 1.101 59.284 58.100 0.139 0.000 1.202 20 Y CB -0.302 38.178 38.460 0.032 0.000 0.990 20 Y HN 0.464 nan 8.280 nan 0.000 0.537 21 K N 0.289 120.839 120.400 0.250 0.000 2.211 21 K HA -0.146 4.174 4.320 -0.000 0.000 0.204 21 K C 1.618 178.331 176.600 0.189 0.000 1.047 21 K CA 1.623 58.040 56.287 0.215 0.000 0.935 21 K CB -0.723 31.850 32.500 0.122 0.000 0.728 21 K HN 0.317 nan 8.250 nan 0.000 0.452 22 L N 1.054 122.355 121.223 0.130 0.000 2.131 22 L HA -0.112 4.228 4.340 -0.000 0.000 0.210 22 L C 1.594 178.482 176.870 0.030 0.000 1.092 22 L CA 1.470 56.353 54.840 0.072 0.000 0.759 22 L CB -0.559 41.525 42.059 0.041 0.000 0.903 22 L HN 0.376 nan 8.230 nan 0.000 0.435 23 T N -3.080 111.487 114.554 0.021 0.000 2.978 23 T HA 0.054 4.404 4.350 -0.000 0.000 0.248 23 T C 1.044 175.514 174.700 -0.384 0.000 1.018 23 T CA 0.155 62.124 62.100 -0.217 0.000 1.026 23 T CB 0.170 68.817 68.868 -0.369 0.000 1.032 23 T HN 0.142 nan 8.240 nan 0.000 0.485 24 Y N -0.163 120.196 120.300 0.099 0.000 2.467 24 Y HA 0.413 4.963 4.550 -0.000 0.000 0.250 24 Y C -0.001 175.974 175.900 0.125 0.000 1.155 24 Y CA -1.111 57.037 58.100 0.080 0.000 1.249 24 Y CB 0.411 38.915 38.460 0.072 0.000 1.146 24 Y HN 0.154 nan 8.280 nan 0.000 0.524 25 Y N 0.916 121.277 120.300 0.100 0.000 2.342 25 Y HA 0.504 5.054 4.550 -0.000 0.000 0.338 25 Y C -0.383 175.550 175.900 0.055 0.000 0.965 25 Y CA -1.343 56.799 58.100 0.069 0.000 1.159 25 Y CB 1.181 39.670 38.460 0.047 0.000 1.157 25 Y HN -0.170 nan 8.280 nan 0.000 0.486 26 T N 9.578 123.972 114.554 -0.266 0.000 3.418 26 T HA 0.177 4.527 4.350 -0.000 0.000 0.315 26 T C -2.038 172.553 174.700 -0.181 0.000 1.447 26 T CA -0.840 61.133 62.100 -0.212 0.000 1.641 26 T CB 0.772 69.588 68.868 -0.087 0.000 0.904 26 T HN 0.497 nan 8.240 nan 0.000 0.640 27 P HA -0.037 nan 4.420 nan 0.000 0.228 27 P C 0.868 178.178 177.300 0.017 0.000 1.151 27 P CA 0.897 63.888 63.100 -0.182 0.000 0.770 27 P CB 0.525 32.039 31.700 -0.310 0.000 0.786 28 E N -1.404 118.796 120.200 -0.000 0.000 2.447 28 E HA -0.035 4.315 4.350 -0.000 0.000 0.195 28 E C 0.430 177.071 176.600 0.068 0.000 1.028 28 E CA -0.384 56.034 56.400 0.031 0.000 0.876 28 E CB -0.408 29.294 29.700 0.003 0.000 0.885 28 E HN 0.331 nan 8.360 nan 0.000 0.500 29 Y N 2.702 122.986 120.300 -0.027 0.000 2.712 29 Y HA -0.079 4.471 4.550 -0.000 0.000 0.333 29 Y C 0.195 176.032 175.900 -0.106 0.000 1.225 29 Y CA 0.339 58.403 58.100 -0.059 0.000 1.499 29 Y CB 0.375 38.805 38.460 -0.050 0.000 1.288 29 Y HN -0.181 nan 8.280 nan 0.000 0.575 30 E N 3.747 123.502 120.200 -0.741 0.000 2.156 30 E HA 0.191 4.541 4.350 -0.000 0.000 0.279 30 E C -0.430 175.498 176.600 -1.121 0.000 0.965 30 E CA -0.709 55.301 56.400 -0.649 0.000 0.789 30 E CB 0.846 30.303 29.700 -0.405 0.000 1.098 30 E HN 0.720 nan 8.360 nan 0.000 0.397 31 T N 1.009 115.097 114.554 -0.777 0.000 2.918 31 T HA 0.299 4.649 4.350 -0.000 0.000 0.302 31 T C 0.395 174.888 174.700 -0.346 0.000 1.045 31 T CA -0.565 61.193 62.100 -0.571 0.000 1.114 31 T CB 0.475 69.123 68.868 -0.367 0.000 0.965 31 T HN 0.243 nan 8.240 nan 0.000 0.540 32 L N 1.874 122.987 121.223 -0.184 0.000 2.399 32 L HA 0.341 4.681 4.340 -0.000 0.000 0.265 32 L C 1.115 177.950 176.870 -0.058 0.000 1.089 32 L CA -0.975 53.804 54.840 -0.102 0.000 0.802 32 L CB 0.610 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 -0.363 120.010 120.400 -0.044 0.000 2.371 33 D HA -0.077 4.563 4.640 -0.000 0.000 0.221 33 D C 1.602 177.896 176.300 -0.011 0.000 0.986 33 D CA 1.021 55.004 54.000 -0.028 0.000 0.899 33 D CB 0.164 40.952 40.800 -0.020 0.000 0.902 33 D HN 0.707 nan 8.370 nan 0.000 0.530 34 T N -2.800 111.756 114.554 0.004 0.000 3.069 34 T HA 0.065 4.415 4.350 -0.000 0.000 0.252 34 T C 0.502 175.224 174.700 0.036 0.000 1.053 34 T CA -0.526 61.590 62.100 0.026 0.000 0.964 34 T CB 0.544 69.434 68.868 0.038 0.000 1.005 34 T HN -0.254 nan 8.240 nan 0.000 0.532 35 D N 1.516 121.938 120.400 0.036 0.000 2.345 35 D HA 0.395 5.035 4.640 -0.000 0.000 0.247 35 D C -0.375 175.941 176.300 0.026 0.000 1.108 35 D CA -0.529 53.514 54.000 0.073 0.000 0.894 35 D CB 0.842 41.695 40.800 0.088 0.000 1.203 35 D HN 0.161 nan 8.370 nan 0.000 0.430 36 I N 2.412 123.025 120.570 0.071 0.000 2.342 36 I HA 0.162 4.332 4.170 -0.000 0.000 0.291 36 I C -0.121 176.051 176.117 0.091 0.000 1.010 36 I CA -0.154 61.123 61.300 -0.039 0.000 1.308 36 I CB 0.637 38.516 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 -0.000 0.000 0.275 37 L C -0.090 176.708 176.870 -0.121 0.000 1.022 37 L CA -0.770 54.023 54.840 -0.079 0.000 0.812 37 L CB 1.577 43.419 42.059 -0.361 0.000 1.257 37 L HN 0.636 nan 8.230 nan 0.000 0.435 38 A N 1.875 124.813 122.820 0.198 0.000 2.393 38 A HA 0.860 5.180 4.320 -0.000 0.000 0.306 38 A C -0.792 176.908 177.584 0.193 0.000 1.050 38 A CA -0.540 51.581 52.037 0.140 0.000 0.724 38 A CB 1.768 20.834 19.000 0.110 0.000 1.248 38 A HN 0.739 nan 8.150 nan 0.000 0.424 39 A N 1.904 124.718 122.820 -0.011 0.000 2.277 39 A HA 0.713 5.033 4.320 -0.000 0.000 0.318 39 A C -1.115 176.192 177.584 -0.461 0.000 1.339 39 A CA -0.262 51.556 52.037 -0.366 0.000 0.875 39 A CB -0.252 18.377 19.000 -0.618 0.000 1.158 39 A HN 0.607 nan 8.150 nan 0.000 0.514 40 F N 1.189 120.989 119.950 -0.250 0.000 2.421 40 F HA 0.496 5.023 4.527 -0.000 0.000 0.337 40 F C 0.998 176.678 175.800 -0.200 0.000 1.105 40 F CA -0.331 57.553 58.000 -0.193 0.000 1.049 40 F CB 1.655 40.563 39.000 -0.153 0.000 1.139 40 F HN 0.581 nan 8.300 nan 0.000 0.479 41 R N 3.614 124.135 120.500 0.035 0.000 2.230 41 R HA 0.530 4.870 4.340 -0.000 0.000 0.337 41 R C -1.688 174.624 176.300 0.020 0.000 1.063 41 R CA -0.273 55.833 56.100 0.011 0.000 0.935 41 R CB 0.359 30.662 30.300 0.004 0.000 1.121 41 R HN 0.540 nan 8.270 nan 0.000 0.486 42 V N 3.149 123.083 119.914 0.034 0.000 2.439 42 V HA 0.279 4.399 4.120 -0.000 0.000 0.282 42 V C -0.036 176.099 176.094 0.069 0.000 1.039 42 V CA -0.513 61.794 62.300 0.013 0.000 0.913 42 V CB 1.804 33.620 31.823 -0.011 0.000 0.983 42 V HN 0.704 nan 8.190 nan 0.000 0.460 43 S N 6.331 122.055 115.700 0.040 0.000 2.532 43 S HA 0.449 4.919 4.470 -0.000 0.000 0.256 43 S C -2.601 172.029 174.600 0.049 0.000 1.298 43 S CA -0.977 57.255 58.200 0.054 0.000 1.166 43 S CB 1.180 64.405 63.200 0.041 0.000 1.022 43 S HN 0.587 nan 8.310 nan 0.000 0.480 44 P HA 0.194 nan 4.420 nan 0.000 0.274 44 P C -0.199 177.116 177.300 0.025 0.000 1.237 44 P CA -0.599 62.515 63.100 0.024 0.000 0.793 44 P CB 0.513 32.220 31.700 0.011 0.000 0.977 45 Q N 1.212 121.015 119.800 0.005 0.000 2.368 45 Q HA 0.242 4.582 4.340 -0.000 0.000 0.237 45 Q C -2.059 173.945 176.000 0.007 0.000 0.987 45 Q CA -1.534 54.275 55.803 0.009 0.000 0.896 45 Q CB -0.721 28.019 28.738 0.003 0.000 1.241 45 Q HN 0.317 nan 8.270 nan 0.000 0.485 46 P HA 0.000 nan 4.420 nan 0.000 0.265 46 P C 0.440 177.740 177.300 -0.000 0.000 1.193 46 P CA 1.076 64.182 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 1.178 109.977 108.800 -0.003 0.000 2.195 47 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.246 47 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.246 47 G C -0.045 174.840 174.900 -0.025 0.000 0.984 47 G CA -0.165 44.928 45.100 -0.011 0.000 0.633 47 G HN 0.530 nan 8.290 nan 0.000 0.525 48 V N 3.701 123.596 119.914 -0.032 0.000 2.347 48 V HA 0.523 4.643 4.120 -0.000 0.000 0.280 48 V C -1.511 174.536 176.094 -0.080 0.000 1.021 48 V CA -1.433 60.833 62.300 -0.057 0.000 0.847 48 V CB 1.743 33.527 31.823 -0.064 0.000 0.990 48 V HN 0.244 nan 8.190 nan 0.000 0.444 49 P HA 0.286 nan 4.420 nan 0.000 0.278 49 P C -2.352 174.785 177.300 -0.271 0.000 1.238 49 P CA -1.753 61.248 63.100 -0.164 0.000 0.794 49 P CB 0.975 32.589 31.700 -0.144 0.000 0.955 50 P HA -0.245 nan 4.420 nan 0.000 0.217 50 P C 1.271 178.277 177.300 -0.491 0.000 1.162 50 P CA 1.808 64.520 63.100 -0.646 0.000 0.901 50 P CB -0.056 30.993 31.700 -1.084 0.000 0.793 51 E N -0.780 119.107 120.200 -0.522 0.000 2.130 51 E HA -0.226 4.124 4.350 -0.000 0.000 0.196 51 E C 2.023 178.393 176.600 -0.384 0.000 0.998 51 E CA 1.429 57.432 56.400 -0.661 0.000 0.806 51 E CB -0.641 28.599 29.700 -0.765 0.000 0.738 51 E HN 0.366 nan 8.360 nan 0.000 0.459 52 E N 0.172 120.220 120.200 -0.253 0.000 2.112 52 E HA 0.006 4.356 4.350 -0.000 0.000 0.190 52 E C 1.848 178.342 176.600 -0.177 0.000 0.979 52 E CA 1.057 57.377 56.400 -0.133 0.000 0.814 52 E CB -0.239 29.412 29.700 -0.082 0.000 0.762 52 E HN 0.207 nan 8.360 nan 0.000 0.460 53 A N 0.458 123.141 122.820 -0.227 0.000 1.865 53 A HA -0.075 4.245 4.320 -0.000 0.000 0.217 53 A C 2.486 179.902 177.584 -0.279 0.000 1.191 53 A CA 1.911 53.796 52.037 -0.254 0.000 0.623 53 A CB -1.522 17.349 19.000 -0.215 0.000 0.826 53 A HN 0.421 nan 8.150 nan 0.000 0.444 54 G N -0.653 107.994 108.800 -0.255 0.000 2.418 54 G HA2 -0.008 3.951 3.960 -0.000 0.000 0.217 54 G HA3 -0.008 3.951 3.960 -0.000 0.000 0.217 54 G C 1.740 176.537 174.900 -0.172 0.000 1.158 54 G CA 1.554 46.528 45.100 -0.210 0.000 0.771 54 G HN 0.860 nan 8.290 nan 0.000 0.545 55 A N 1.046 123.791 122.820 -0.124 0.000 1.933 55 A HA 0.285 4.605 4.320 -0.000 0.000 0.218 55 A C 2.771 180.195 177.584 -0.267 0.000 1.175 55 A CA 2.157 54.180 52.037 -0.023 0.000 0.628 55 A CB -0.636 18.442 19.000 0.129 0.000 0.814 55 A HN 0.770 nan 8.150 nan 0.000 0.444 56 A N -0.690 121.856 122.820 -0.458 0.000 1.969 56 A HA 0.076 4.396 4.320 -0.000 0.000 0.218 56 A C 2.194 179.425 177.584 -0.587 0.000 1.169 56 A CA 1.582 53.033 52.037 -0.976 0.000 0.635 56 A CB -0.705 17.673 19.000 -1.038 0.000 0.810 56 A HN 0.336 nan 8.150 nan 0.000 0.445 57 V N -0.210 119.475 119.914 -0.383 0.000 2.307 57 V HA -0.214 3.906 4.120 -0.000 0.000 0.245 57 V C 3.050 179.015 176.094 -0.215 0.000 1.045 57 V CA 1.887 64.010 62.300 -0.295 0.000 1.024 57 V CB -1.113 30.384 31.823 -0.544 0.000 0.651 57 V HN 0.590 nan 8.190 nan 0.000 0.449 58 A N -0.211 122.486 122.820 -0.206 0.000 1.933 58 A HA -0.070 4.250 4.320 -0.000 0.000 0.218 58 A C 2.377 179.828 177.584 -0.222 0.000 1.175 58 A CA 2.001 53.968 52.037 -0.117 0.000 0.628 58 A CB -0.644 18.331 19.000 -0.043 0.000 0.814 58 A HN 0.553 nan 8.150 nan 0.000 0.444 59 A N -0.090 122.402 122.820 -0.547 0.000 1.841 59 A HA -0.111 4.209 4.320 -0.000 0.000 0.214 59 A C 1.960 179.310 177.584 -0.389 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 -0.000 0.000 0.197 60 E C 1.591 178.186 176.600 -0.007 0.000 1.026 60 E CA 1.235 57.608 56.400 -0.045 0.000 0.862 60 E CB -0.259 29.448 29.700 0.011 0.000 0.799 60 E HN 0.611 nan 8.360 nan 0.000 0.518 61 S N -1.555 114.173 115.700 0.047 0.000 2.577 61 S HA 0.162 4.632 4.470 -0.000 0.000 0.219 61 S C 1.157 175.880 174.600 0.205 0.000 0.962 61 S CA 0.242 58.533 58.200 0.152 0.000 0.921 61 S CB 0.177 63.548 63.200 0.286 0.000 0.789 61 S HN 0.257 nan 8.310 nan 0.000 0.497 62 S N 1.324 117.108 115.700 0.140 0.000 4.640 62 S HA 0.158 4.628 4.470 -0.000 0.000 0.157 62 S C 1.335 175.980 174.600 0.074 0.000 0.963 62 S CA 0.531 58.821 58.200 0.150 0.000 1.235 62 S CB -0.262 63.103 63.200 0.275 0.000 1.848 62 S HN 0.509 nan 8.310 nan 0.000 0.751 63 T N -0.816 113.800 114.554 0.104 0.000 2.975 63 T HA 0.509 4.859 4.350 -0.000 0.000 0.261 63 T C 0.806 175.570 174.700 0.107 0.000 0.984 63 T CA 0.394 62.556 62.100 0.103 0.000 0.911 63 T CB 0.216 69.189 68.868 0.176 0.000 1.127 63 T HN 0.745 nan 8.240 nan 0.000 0.514 64 G N 0.165 109.007 108.800 0.069 0.000 2.491 64 G HA2 0.581 4.541 3.960 -0.000 0.000 0.327 64 G HA3 0.581 4.541 3.960 -0.000 0.000 0.327 64 G C -0.946 174.023 174.900 0.114 0.000 1.189 64 G CA -0.364 44.803 45.100 0.113 0.000 0.956 64 G HN 0.256 nan 8.290 nan 0.000 0.491 65 T N -1.315 113.333 114.554 0.157 0.000 2.693 65 T HA 0.406 4.756 4.350 -0.000 0.000 0.278 65 T C 0.682 175.527 174.700 0.242 0.000 0.994 65 T CA -0.483 61.732 62.100 0.192 0.000 1.033 65 T CB 0.832 69.751 68.868 0.084 0.000 1.342 65 T HN 0.672 nan 8.240 nan 0.000 0.538 66 W N 0.965 122.372 121.300 0.177 0.000 2.699 66 W HA 0.274 4.934 4.660 -0.000 0.000 0.249 66 W C 0.244 176.754 176.519 -0.015 0.000 1.280 66 W CA 0.526 57.926 57.345 0.092 0.000 1.345 66 W CB -1.065 28.468 29.460 0.123 0.000 1.128 66 W HN 0.555 nan 8.180 nan 0.000 0.642 67 T N 0.672 114.772 114.554 -0.757 0.000 2.868 67 T HA 0.313 4.663 4.350 -0.000 0.000 0.306 67 T C -0.500 173.988 174.700 -0.353 0.000 1.224 67 T CA -0.351 61.346 62.100 -0.673 0.000 1.012 67 T CB 1.679 69.814 68.868 -1.222 0.000 1.221 67 T HN -0.198 nan 8.240 nan 0.000 0.499 68 T N 2.727 117.181 114.554 -0.167 0.000 2.888 68 T HA 0.450 4.800 4.350 -0.000 0.000 0.301 68 T C 0.284 175.064 174.700 0.135 0.000 1.001 68 T CA -0.266 61.843 62.100 0.014 0.000 1.147 68 T CB 0.040 68.956 68.868 0.079 0.000 0.931 68 T HN 0.726 nan 8.240 nan 0.000 0.541 69 V N 2.918 122.876 119.914 0.072 0.000 2.581 69 V HA 0.505 4.625 4.120 -0.000 0.000 0.303 69 V C 1.125 177.097 176.094 -0.203 0.000 1.041 69 V CA -1.184 61.084 62.300 -0.055 0.000 0.907 69 V CB 1.428 33.128 31.823 -0.206 0.000 0.994 69 V HN 1.035 nan 8.190 nan 0.000 0.442 70 W N 2.223 123.113 121.300 -0.683 0.000 2.519 70 W HA -0.075 4.585 4.660 -0.000 0.000 0.266 70 W C 1.408 177.704 176.519 -0.373 0.000 1.253 70 W CA 1.345 58.144 57.345 -0.910 0.000 1.274 70 W CB -1.686 26.965 29.460 -1.349 0.000 1.114 70 W HN 0.762 nan 8.180 nan 0.000 0.596 71 T N -1.101 112.835 114.554 -1.029 0.000 2.977 71 T HA -0.203 4.147 4.350 -0.000 0.000 0.271 71 T C 1.105 175.596 174.700 -0.348 0.000 1.105 71 T CA 1.524 63.104 62.100 -0.867 0.000 1.116 71 T CB -0.591 67.689 68.868 -0.981 0.000 0.878 71 T HN -0.096 nan 8.240 nan 0.000 0.509 72 D N 1.972 122.240 120.400 -0.220 0.000 2.221 72 D HA -0.026 4.614 4.640 -0.000 0.000 0.204 72 D C 2.270 178.551 176.300 -0.031 0.000 0.982 72 D CA 1.261 55.210 54.000 -0.085 0.000 0.857 72 D CB -0.813 39.976 40.800 -0.019 0.000 0.934 72 D HN 0.614 nan 8.370 nan 0.000 0.475 73 G N -0.130 108.665 108.800 -0.008 0.000 2.598 73 G HA2 -0.099 3.861 3.960 -0.000 0.000 0.215 73 G HA3 -0.099 3.861 3.960 -0.000 0.000 0.215 73 G C 1.533 176.458 174.900 0.042 0.000 1.131 73 G CA -0.059 45.067 45.100 0.044 0.000 0.785 73 G HN 0.279 nan 8.290 nan 0.000 0.539 74 L N 0.798 122.025 121.223 0.007 0.000 2.478 74 L HA 0.133 4.473 4.340 -0.000 0.000 0.223 74 L C 1.327 178.206 176.870 0.014 0.000 1.140 74 L CA 0.512 55.361 54.840 0.016 0.000 0.842 74 L CB -0.321 41.728 42.059 -0.017 0.000 0.953 74 L HN 0.197 nan 8.230 nan 0.000 0.452 75 T N -3.152 111.412 114.554 0.017 0.000 2.718 75 T HA 0.244 4.594 4.350 -0.000 0.000 0.267 75 T C -0.334 174.419 174.700 0.088 0.000 0.957 75 T CA -0.640 61.501 62.100 0.068 0.000 1.025 75 T CB 1.357 70.278 68.868 0.089 0.000 1.355 75 T HN -0.182 nan 8.240 nan 0.000 0.572 76 N N 0.767 119.555 118.700 0.146 0.000 2.898 76 N HA 0.230 4.970 4.740 -0.000 0.000 0.245 76 N C 0.345 175.919 175.510 0.106 0.000 1.185 76 N CA -0.596 52.501 53.050 0.078 0.000 0.879 76 N CB 0.306 38.806 38.487 0.023 0.000 1.157 76 N HN 0.467 nan 8.380 nan 0.000 0.503 77 L N 2.224 123.503 121.223 0.094 0.000 2.127 77 L HA -0.085 4.255 4.340 -0.000 0.000 0.211 77 L C 1.273 178.157 176.870 0.024 0.000 1.089 77 L CA 1.608 56.509 54.840 0.101 0.000 0.757 77 L CB -0.344 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 -1.027 119.355 120.400 -0.031 0.000 2.221 78 D HA -0.203 4.437 4.640 -0.000 0.000 0.204 78 D C 2.140 178.379 176.300 -0.101 0.000 0.982 78 D CA 1.109 55.066 54.000 -0.071 0.000 0.857 78 D CB 0.033 40.797 40.800 -0.060 0.000 0.934 78 D HN 0.430 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 0.005 4.344 4.340 -0.000 0.000 0.195 79 R C 0.755 176.810 176.300 -0.408 0.000 0.935 79 R CA 0.588 56.499 56.100 -0.314 0.000 1.033 79 R CB -0.081 29.956 30.300 -0.438 0.000 0.964 79 R HN 0.253 nan 8.270 nan 0.000 0.489 80 Y N 2.043 122.338 120.300 -0.008 0.000 2.483 80 Y HA 0.196 4.746 4.550 -0.000 0.000 0.258 80 Y C 0.380 176.295 175.900 0.026 0.000 1.083 80 Y CA -0.566 57.534 58.100 -0.000 0.000 1.283 80 Y CB 0.363 38.819 38.460 -0.008 0.000 1.178 80 Y HN -0.010 nan 8.280 nan 0.000 0.515 81 K N 1.259 121.755 120.400 0.160 0.000 2.436 81 K HA 0.331 4.651 4.320 -0.000 0.000 0.275 81 K C 0.550 177.224 176.600 0.123 0.000 0.999 81 K CA 0.169 56.568 56.287 0.186 0.000 0.980 81 K CB 0.627 33.181 32.500 0.090 0.000 0.919 81 K HN 0.132 nan 8.250 nan 0.000 0.484 82 G N 2.367 111.281 108.800 0.189 0.000 2.507 82 G HA2 0.362 4.322 3.960 -0.000 0.000 0.271 82 G HA3 0.362 4.322 3.960 -0.000 0.000 0.271 82 G C -0.785 174.131 174.900 0.027 0.000 1.189 82 G CA -1.056 44.035 45.100 -0.014 0.000 0.859 82 G HN 0.807 nan 8.290 nan 0.000 0.542 83 R N -0.107 120.331 120.500 -0.103 0.000 2.584 83 R HA 0.375 4.715 4.340 -0.000 0.000 0.276 83 R C -1.624 174.734 176.300 0.096 0.000 1.046 83 R CA -0.743 55.357 56.100 0.001 0.000 0.906 83 R CB 0.654 30.855 30.300 -0.166 0.000 1.215 83 R HN 0.475 nan 8.270 nan 0.000 0.449 84 C N 5.118 124.520 119.300 0.169 0.000 2.416 84 C HA 0.293 4.753 4.460 -0.000 0.000 0.355 84 C C 0.796 175.961 174.990 0.293 0.000 1.211 84 C CA -0.476 58.674 59.018 0.221 0.000 1.699 84 C CB -1.722 26.160 27.740 0.237 0.000 2.310 84 C HN 0.895 nan 8.230 nan 0.000 0.539 85 Y N 3.039 123.481 120.300 0.237 0.000 2.467 85 Y HA 0.476 5.026 4.550 -0.000 0.000 0.250 85 Y C 0.605 176.705 175.900 0.333 0.000 1.155 85 Y CA -0.262 57.970 58.100 0.221 0.000 1.249 85 Y CB -0.486 38.141 38.460 0.279 0.000 1.146 85 Y HN 0.789 nan 8.280 nan 0.000 0.524 86 H N 0.036 119.078 119.070 -0.046 0.000 3.121 86 H HA 0.504 5.060 4.556 -0.000 0.000 0.337 86 H C -2.068 173.370 175.328 0.183 0.000 1.198 86 H CA -0.835 55.243 56.048 0.049 0.000 1.274 86 H CB 1.774 31.448 29.762 -0.147 0.000 1.954 86 H HN 0.136 nan 8.280 nan 0.000 0.531 87 I N 3.716 124.054 120.570 -0.388 0.000 2.533 87 I HA 0.210 4.380 4.170 -0.000 0.000 0.290 87 I C -0.752 175.196 176.117 -0.282 0.000 1.056 87 I CA -0.534 60.651 61.300 -0.192 0.000 1.057 87 I CB 2.328 40.249 38.000 -0.131 0.000 1.240 87 I HN 0.544 nan 8.210 nan 0.000 0.423 88 E N 8.524 128.711 120.200 -0.022 0.000 2.263 88 E HA 0.501 4.851 4.350 -0.000 0.000 0.268 88 E C -2.875 173.817 176.600 0.154 0.000 0.884 88 E CA -1.988 54.446 56.400 0.057 0.000 0.766 88 E CB 2.698 32.492 29.700 0.155 0.000 1.196 88 E HN 0.160 nan 8.360 nan 0.000 0.416 89 P HA 0.013 nan 4.420 nan 0.000 0.271 89 P C -0.151 177.127 177.300 -0.036 0.000 1.218 89 P CA -0.399 62.729 63.100 0.046 0.000 0.780 89 P CB 1.156 32.888 31.700 0.053 0.000 0.901 90 V N 2.924 122.750 119.914 -0.147 0.000 2.432 90 V HA 0.247 4.367 4.120 -0.000 0.000 0.271 90 V C 1.064 177.111 176.094 -0.078 0.000 1.046 90 V CA -0.497 61.752 62.300 -0.085 0.000 0.945 90 V CB 0.360 32.126 31.823 -0.096 0.000 0.992 90 V HN 0.718 nan 8.190 nan 0.000 0.471 91 A N 4.473 127.273 122.820 -0.034 0.000 2.524 91 A HA 0.495 4.815 4.320 -0.000 0.000 0.250 91 A C 1.542 179.108 177.584 -0.029 0.000 1.078 91 A CA 0.636 52.657 52.037 -0.027 0.000 0.761 91 A CB -0.494 18.499 19.000 -0.011 0.000 1.012 91 A HN 2.107 nan 8.150 nan 0.000 0.500 92 G N 1.379 110.160 108.800 -0.031 0.000 2.179 92 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.260 92 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.260 92 G C 0.039 174.918 174.900 -0.035 0.000 0.977 92 G CA 0.540 45.625 45.100 -0.025 0.000 0.641 92 G HN 0.797 nan 8.290 nan 0.000 0.533 93 E N 0.657 120.821 120.200 -0.060 0.000 2.244 93 E HA 0.501 4.851 4.350 -0.000 0.000 0.266 93 E C -0.328 176.207 176.600 -0.107 0.000 0.914 93 E CA -0.623 55.733 56.400 -0.074 0.000 0.794 93 E CB 1.642 31.291 29.700 -0.085 0.000 1.210 93 E HN 0.473 nan 8.360 nan 0.000 0.414 94 E N 1.434 121.578 120.200 -0.093 0.000 2.179 94 E HA 0.221 4.571 4.350 -0.000 0.000 0.275 94 E C -0.085 176.441 176.600 -0.123 0.000 0.945 94 E CA -0.894 55.450 56.400 -0.093 0.000 0.792 94 E CB 0.789 30.462 29.700 -0.044 0.000 1.125 94 E HN 0.428 nan 8.360 nan 0.000 0.397 95 N N 1.045 119.650 118.700 -0.158 0.000 2.727 95 N HA -0.257 4.483 4.740 -0.000 0.000 0.249 95 N C -1.258 174.124 175.510 -0.214 0.000 1.048 95 N CA 1.310 54.294 53.050 -0.110 0.000 0.714 95 N CB -0.796 37.702 38.487 0.018 0.000 0.959 95 N HN 0.735 nan 8.380 nan 0.000 0.544 96 Q N 0.357 119.812 119.800 -0.575 0.000 2.305 96 Q HA 0.534 4.874 4.340 -0.000 0.000 0.271 96 Q C -1.497 174.042 176.000 -0.768 0.000 1.046 96 Q CA -0.697 54.860 55.803 -0.410 0.000 0.798 96 Q CB 1.087 29.706 28.738 -0.199 0.000 1.286 96 Q HN 0.248 nan 8.270 nan 0.000 0.435 97 Y N 1.676 121.961 120.300 -0.026 0.000 2.609 97 Y HA 0.553 5.103 4.550 -0.000 0.000 0.342 97 Y C -0.410 175.470 175.900 -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 2.102 122.751 120.570 0.130 0.000 2.354 98 I HA 0.258 4.428 4.170 -0.000 0.000 0.286 98 I C -0.830 175.269 176.117 -0.030 0.000 1.007 98 I CA -0.674 60.629 61.300 0.005 0.000 1.167 98 I CB 0.457 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 -0.000 0.000 0.335 99 C C -0.027 174.916 174.990 -0.079 0.000 1.274 99 C CA -0.627 58.382 59.018 -0.015 0.000 1.806 99 C CB 0.107 27.843 27.740 -0.006 0.000 2.329 99 C HN 0.493 nan 8.230 nan 0.000 0.524 100 Y N 1.784 122.073 120.300 -0.019 0.000 2.328 100 Y HA 0.558 5.108 4.550 -0.000 0.000 0.337 100 Y C 0.313 176.158 175.900 -0.092 0.000 1.008 100 Y CA -0.300 57.763 58.100 -0.062 0.000 1.129 100 Y CB 0.965 39.203 38.460 -0.371 0.000 1.185 100 Y HN 0.407 nan 8.280 nan 0.000 0.476 101 V N 2.860 122.953 119.914 0.298 0.000 2.604 101 V HA 0.833 4.953 4.120 -0.000 0.000 0.305 101 V C -0.382 175.872 176.094 0.267 0.000 1.043 101 V CA -1.096 61.342 62.300 0.230 0.000 0.888 101 V CB 1.670 33.565 31.823 0.120 0.000 0.995 101 V HN 0.842 nan 8.190 nan 0.000 0.429 102 A N 3.783 126.705 122.820 0.169 0.000 2.318 102 A HA 0.877 5.197 4.320 -0.000 0.000 0.324 102 A C -1.544 175.953 177.584 -0.146 0.000 1.170 102 A CA -0.408 51.696 52.037 0.111 0.000 0.810 102 A CB 0.759 19.844 19.000 0.142 0.000 1.198 102 A HN 0.739 nan 8.150 nan 0.000 0.484 103 Y N 2.767 123.184 120.300 0.196 0.000 2.350 103 Y HA 0.450 5.000 4.550 0.000 0.000 0.338 103 Y C -2.179 173.846 175.900 0.208 0.000 0.961 103 Y CA -2.479 55.753 58.100 0.220 0.000 1.100 103 Y CB 1.973 40.670 38.460 0.395 0.000 1.179 103 Y HN 0.494 nan 8.280 nan 0.000 0.454 104 P HA -0.028 nan 4.420 nan 0.000 0.269 104 P C 0.776 178.205 177.300 0.215 0.000 1.209 104 P CA -0.224 62.983 63.100 0.177 0.000 0.776 104 P CB 1.412 33.164 31.700 0.086 0.000 0.876 105 L N 2.483 123.805 121.223 0.164 0.000 2.187 105 L HA -0.177 4.163 4.340 -0.000 0.000 0.213 105 L C 1.317 178.275 176.870 0.147 0.000 1.100 105 L CA 2.017 56.958 54.840 0.167 0.000 0.765 105 L CB -1.135 40.988 42.059 0.107 0.000 0.904 105 L HN 0.200 nan 8.230 nan 0.000 0.437 106 D N -0.848 119.617 120.400 0.109 0.000 2.378 106 D HA -0.073 4.567 4.640 -0.000 0.000 0.222 106 D C 2.011 178.320 176.300 0.015 0.000 0.980 106 D CA 0.746 54.812 54.000 0.110 0.000 0.907 106 D CB -0.021 40.910 40.800 0.218 0.000 0.899 106 D HN 0.405 nan 8.370 nan 0.000 0.527 107 L N -0.857 120.261 121.223 -0.174 0.000 2.509 107 L HA 0.110 4.450 4.340 -0.000 0.000 0.222 107 L C 0.056 176.466 176.870 -0.767 0.000 1.123 107 L CA 0.211 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 -0.120 nan 8.230 nan 0.000 0.456 108 F N -0.249 119.661 119.950 -0.065 0.000 2.480 108 F HA 0.334 4.861 4.527 -0.000 0.000 0.329 108 F C 0.620 176.446 175.800 0.044 0.000 1.091 108 F CA -1.138 56.820 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 1.489 121.829 120.200 0.233 0.000 2.313 109 E HA 0.160 4.510 4.350 -0.000 0.000 0.276 109 E C -0.843 175.885 176.600 0.213 0.000 1.031 109 E CA -0.641 55.853 56.400 0.157 0.000 0.857 109 E CB 0.675 30.425 29.700 0.083 0.000 1.040 109 E HN 0.518 nan 8.360 nan 0.000 0.408 110 E N 2.004 122.268 120.200 0.106 0.000 2.414 110 E HA 0.191 4.541 4.350 -0.000 0.000 0.263 110 E C 0.795 177.189 176.600 -0.342 0.000 1.000 110 E CA 1.265 57.632 56.400 -0.055 0.000 0.914 110 E CB 0.663 30.325 29.700 -0.064 0.000 0.948 110 E HN 0.794 nan 8.360 nan 0.000 0.444 111 G N 2.549 110.767 108.800 -0.969 0.000 2.166 111 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.260 111 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.260 111 G C 0.332 174.891 174.900 -0.568 0.000 0.986 111 G CA 0.582 44.920 45.100 -1.270 0.000 0.683 111 G HN 0.522 nan 8.290 nan 0.000 0.527 112 S N -0.484 115.079 115.700 -0.229 0.000 2.516 112 S HA 0.516 4.986 4.470 -0.000 0.000 0.268 112 S C 1.484 176.164 174.600 0.132 0.000 1.251 112 S CA 0.110 58.334 58.200 0.039 0.000 1.153 112 S CB 1.155 64.380 63.200 0.041 0.000 1.009 112 S HN 0.547 nan 8.310 nan 0.000 0.479 113 V N 4.631 124.593 119.914 0.081 0.000 2.594 113 V HA -0.121 3.999 4.120 -0.000 0.000 0.253 113 V C 2.525 178.362 176.094 -0.427 0.000 1.069 113 V CA 2.369 64.472 62.300 -0.327 0.000 1.082 113 V CB -0.900 30.532 31.823 -0.652 0.000 0.680 113 V HN 0.815 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 -0.000 0.000 0.268 114 T C 1.910 176.636 174.700 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 0.098 0.000 0.867 114 T HN 0.573 nan 8.240 nan 0.000 0.454 115 N N 0.520 119.258 118.700 0.063 0.000 2.250 115 N HA -0.026 4.714 4.740 -0.000 0.000 0.181 115 N C 2.097 177.716 175.510 0.181 0.000 1.017 115 N CA 0.808 53.929 53.050 0.118 0.000 0.866 115 N CB -0.177 38.392 38.487 0.137 0.000 0.985 115 N HN 0.375 nan 8.380 nan 0.000 0.429 116 M N -0.011 119.679 119.600 0.150 0.000 2.065 116 M HA -0.193 4.287 4.480 -0.000 0.000 0.259 116 M C 1.434 177.826 176.300 0.155 0.000 1.069 116 M CA 1.664 57.034 55.300 0.117 0.000 1.110 116 M CB -0.177 32.316 32.600 -0.178 0.000 1.328 116 M HN 0.025 nan 8.290 nan 0.000 0.405 117 F N 0.480 120.422 119.950 -0.013 0.000 2.234 117 F HA -0.120 4.407 4.527 -0.000 0.000 0.299 117 F C 2.582 178.395 175.800 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 -1.027 113.660 114.554 0.221 0.000 2.833 118 T HA -0.145 4.205 4.350 -0.000 0.000 0.269 118 T C 2.325 177.087 174.700 0.103 0.000 1.054 118 T CA 1.609 63.790 62.100 0.134 0.000 1.135 118 T CB -0.241 68.685 68.868 0.096 0.000 0.869 118 T HN 0.150 nan 8.240 nan 0.000 0.466 119 S N 0.778 116.545 115.700 0.111 0.000 2.327 119 S HA 0.176 4.646 4.470 -0.000 0.000 0.213 119 S C 2.031 176.680 174.600 0.081 0.000 1.032 119 S CA 0.471 58.706 58.200 0.059 0.000 0.960 119 S CB -0.244 62.952 63.200 -0.007 0.000 0.900 119 S HN 0.390 nan 8.310 nan 0.000 0.469 120 I N 0.982 121.599 120.570 0.079 0.000 2.454 120 I HA -0.053 4.117 4.170 -0.000 0.000 0.254 120 I C 1.215 177.534 176.117 0.338 0.000 1.156 120 I CA 0.976 62.360 61.300 0.140 0.000 1.433 120 I CB 0.004 38.039 38.000 0.059 0.000 1.082 120 I HN 0.127 nan 8.210 nan 0.000 0.432 121 V N 0.018 120.072 119.914 0.233 0.000 3.330 121 V HA 0.233 4.353 4.120 -0.000 0.000 0.309 121 V C 1.799 177.941 176.094 0.080 0.000 1.481 121 V CA 0.542 62.957 62.300 0.191 0.000 1.068 121 V CB 0.668 32.435 31.823 -0.093 0.000 0.935 121 V HN 0.397 nan 8.190 nan 0.000 0.453 122 G N 1.138 109.997 108.800 0.099 0.000 2.453 122 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.215 122 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.215 122 G C 1.148 176.062 174.900 0.023 0.000 1.201 122 G CA 1.220 46.347 45.100 0.046 0.000 0.784 122 G HN 0.542 nan 8.290 nan 0.000 0.545 123 N N -0.485 118.223 118.700 0.012 0.000 2.266 123 N HA -0.002 4.738 4.740 -0.000 0.000 0.217 123 N C 2.235 177.661 175.510 -0.141 0.000 1.211 123 N CA 0.843 53.846 53.050 -0.077 0.000 0.881 123 N CB 0.374 38.759 38.487 -0.169 0.000 1.153 123 N HN 0.284 nan 8.380 nan 0.000 0.489 124 V N -0.877 119.000 119.914 -0.062 0.000 2.546 124 V HA -0.129 3.991 4.120 -0.000 0.000 0.254 124 V C 1.627 177.726 176.094 0.007 0.000 1.076 124 V CA 1.401 63.642 62.300 -0.097 0.000 1.087 124 V CB -1.220 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 2.298 122.223 119.950 -0.042 0.000 2.699 125 F HA 0.337 4.864 4.527 0.000 0.000 0.298 125 F C 2.213 178.072 175.800 0.098 0.000 1.154 125 F CA 0.871 58.890 58.000 0.031 0.000 1.457 125 F CB -0.679 38.328 39.000 0.010 0.000 1.106 125 F HN 0.356 nan 8.300 nan 0.000 0.585 126 G N -1.709 107.181 108.800 0.151 0.000 3.324 126 G HA2 0.063 4.023 3.960 -0.000 0.000 0.251 126 G HA3 0.063 4.023 3.960 -0.000 0.000 0.251 126 G C 0.118 175.058 174.900 0.068 0.000 1.072 126 G CA -0.191 44.964 45.100 0.092 0.000 0.787 126 G HN -0.026 nan 8.290 nan 0.000 0.537 127 F N 1.497 121.462 119.950 0.025 0.000 2.607 127 F HA 0.175 4.702 4.527 0.000 0.000 0.374 127 F C 1.761 177.563 175.800 0.003 0.000 1.104 127 F CA 0.090 58.089 58.000 -0.002 0.000 1.296 127 F CB 1.072 40.044 39.000 -0.046 0.000 1.085 127 F HN -0.040 nan 8.300 nan 0.000 0.584 128 K N 2.638 123.194 120.400 0.260 0.000 2.147 128 K HA -0.110 4.210 4.320 -0.000 0.000 0.205 128 K C 1.837 178.489 176.600 0.088 0.000 1.049 128 K CA 1.175 57.539 56.287 0.128 0.000 0.936 128 K CB -0.098 32.456 32.500 0.091 0.000 0.722 128 K HN 0.688 nan 8.250 nan 0.000 0.446 129 A N 0.787 123.649 122.820 0.070 0.000 2.239 129 A HA 0.074 4.394 4.320 -0.000 0.000 0.209 129 A C 0.613 178.183 177.584 -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 -2.023 119.217 121.223 0.029 0.000 2.333 130 L HA 0.472 4.812 4.340 -0.000 0.000 0.269 130 L C 1.264 178.165 176.870 0.052 0.000 1.010 130 L CA -0.752 54.100 54.840 0.020 0.000 0.818 130 L CB 1.774 43.843 42.059 0.018 0.000 1.306 130 L HN 0.121 nan 8.230 nan 0.000 0.430 131 R N 0.835 121.365 120.500 0.049 0.000 2.128 131 R HA 0.414 4.754 4.340 -0.000 0.000 0.211 131 R C -0.035 176.325 176.300 0.101 0.000 1.067 131 R CA 0.576 56.711 56.100 0.058 0.000 1.010 131 R CB 0.676 31.003 30.300 0.044 0.000 0.922 131 R HN 0.737 nan 8.270 nan 0.000 0.457 132 A N 0.375 123.272 122.820 0.129 0.000 2.612 132 A HA 0.611 4.931 4.320 -0.000 0.000 0.293 132 A C -2.086 175.565 177.584 0.112 0.000 1.075 132 A CA -0.591 51.607 52.037 0.268 0.000 0.680 132 A CB 1.727 20.859 19.000 0.221 0.000 1.279 132 A HN 0.039 nan 8.150 nan 0.000 0.411 133 L N 0.377 121.597 121.223 -0.006 0.000 2.513 133 L HA 0.805 5.145 4.340 -0.000 0.000 0.261 133 L C -0.731 175.973 176.870 -0.277 0.000 0.945 133 L CA -0.117 54.541 54.840 -0.303 0.000 0.848 133 L CB 1.997 43.625 42.059 -0.718 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 4.946 4.340 -0.000 0.000 0.288 134 R C -1.938 174.436 176.300 0.124 0.000 1.004 134 R CA -0.864 55.299 56.100 0.105 0.000 0.895 134 R CB 1.788 32.139 30.300 0.085 0.000 1.191 134 R HN 0.666 nan 8.270 nan 0.000 0.444 135 L N 4.237 125.567 121.223 0.178 0.000 2.265 135 L HA 0.281 4.621 4.340 -0.000 0.000 0.288 135 L C 0.626 177.432 176.870 -0.107 0.000 1.058 135 L CA 0.516 55.303 54.840 -0.089 0.000 0.809 135 L CB 1.244 43.265 42.059 -0.064 0.000 1.179 135 L HN 0.724 nan 8.230 nan 0.000 0.429 136 E N 2.247 122.289 120.200 -0.263 0.000 2.201 136 E HA 0.128 4.478 4.350 -0.000 0.000 0.193 136 E C -0.309 176.146 176.600 -0.243 0.000 0.957 136 E CA 0.403 56.624 56.400 -0.299 0.000 0.858 136 E CB 0.536 29.823 29.700 -0.688 0.000 0.816 136 E HN 0.687 nan 8.360 nan 0.000 0.475 137 D N -1.059 119.205 120.400 -0.228 0.000 2.653 137 D HA 0.402 5.042 4.640 -0.000 0.000 0.258 137 D C -1.579 174.804 176.300 0.138 0.000 1.252 137 D CA -0.461 53.554 54.000 0.025 0.000 0.777 137 D CB 1.357 42.235 40.800 0.130 0.000 1.339 137 D HN -0.150 nan 8.370 nan 0.000 0.422 138 L N 1.180 122.485 121.223 0.137 0.000 2.431 138 L HA 0.526 4.866 4.340 -0.000 0.000 0.266 138 L C -0.358 176.428 176.870 -0.140 0.000 0.978 138 L CA -0.895 53.925 54.840 -0.033 0.000 0.822 138 L CB 2.286 44.314 42.059 -0.052 0.000 1.310 138 L HN 0.188 nan 8.230 nan 0.000 0.409 139 R N 3.909 124.134 120.500 -0.457 0.000 2.215 139 R HA 0.493 4.833 4.340 -0.000 0.000 0.337 139 R C -1.067 175.054 176.300 -0.298 0.000 1.010 139 R CA -0.491 55.361 56.100 -0.414 0.000 0.871 139 R CB 0.528 30.434 30.300 -0.657 0.000 1.134 139 R HN 0.571 nan 8.270 nan 0.000 0.477 140 I N 7.724 128.132 120.570 -0.270 0.000 2.312 140 I HA 0.227 4.397 4.170 -0.000 0.000 0.291 140 I C -1.681 174.322 176.117 -0.191 0.000 1.031 140 I CA -2.006 59.164 61.300 -0.217 0.000 1.293 140 I CB 1.559 39.414 38.000 -0.241 0.000 1.403 140 I HN 0.289 nan 8.210 nan 0.000 0.484 141 P HA -0.040 nan 4.420 nan 0.000 0.268 141 P C 1.088 178.382 177.300 -0.009 0.000 1.205 141 P CA -0.126 62.945 63.100 -0.049 0.000 0.771 141 P CB 1.216 32.911 31.700 -0.009 0.000 0.858 142 V N 0.861 120.764 119.914 -0.018 0.000 2.568 142 V HA -0.225 3.895 4.120 -0.000 0.000 0.253 142 V C 2.216 178.345 176.094 0.059 0.000 1.072 142 V CA 2.018 64.324 62.300 0.009 0.000 1.084 142 V CB -2.090 29.741 31.823 0.013 0.000 0.676 142 V HN 0.528 nan 8.190 nan 0.000 0.469 143 A N -1.034 121.831 122.820 0.075 0.000 2.015 143 A HA -0.103 4.217 4.320 -0.000 0.000 0.219 143 A C 2.115 179.804 177.584 0.176 0.000 1.163 143 A CA 1.769 53.866 52.037 0.101 0.000 0.646 143 A CB -0.715 18.338 19.000 0.088 0.000 0.806 143 A HN 0.723 nan 8.150 nan 0.000 0.448 144 Y N -0.258 120.068 120.300 0.044 0.000 2.397 144 Y HA 0.039 4.589 4.550 -0.000 0.000 0.292 144 Y C 2.229 178.250 175.900 0.201 0.000 1.115 144 Y CA 0.837 58.993 58.100 0.093 0.000 1.208 144 Y CB -0.083 38.410 38.460 0.055 0.000 1.046 144 Y HN 0.045 nan 8.280 nan 0.000 0.552 145 V N 0.683 120.685 119.914 0.147 0.000 2.469 145 V HA -0.280 3.840 4.120 -0.000 0.000 0.251 145 V C 2.173 178.371 176.094 0.174 0.000 1.064 145 V CA 1.880 64.256 62.300 0.126 0.000 1.066 145 V CB -0.463 31.395 31.823 0.058 0.000 0.667 145 V HN 0.224 nan 8.190 nan 0.000 0.461 146 K N 0.506 120.970 120.400 0.105 0.000 2.439 146 K HA -0.051 4.269 4.320 -0.000 0.000 0.197 146 K C 1.993 178.599 176.600 0.010 0.000 1.041 146 K CA 1.419 57.745 56.287 0.066 0.000 0.970 146 K CB -0.627 31.901 32.500 0.048 0.000 0.773 146 K HN 0.728 nan 8.250 nan 0.000 0.479 147 T N -1.991 112.526 114.554 -0.062 0.000 3.169 147 T HA 0.148 4.498 4.350 -0.000 0.000 0.250 147 T C 0.381 174.825 174.700 -0.427 0.000 1.111 147 T CA -0.226 61.728 62.100 -0.244 0.000 1.010 147 T CB -0.310 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 0.817 120.688 119.950 -0.131 0.000 2.538 148 F HA 0.489 5.016 4.527 -0.000 0.000 0.325 148 F C 1.440 177.210 175.800 -0.050 0.000 1.066 148 F CA -1.257 56.687 58.000 -0.094 0.000 0.946 148 F CB 2.144 41.072 39.000 -0.120 0.000 1.199 148 F HN -0.129 nan 8.300 nan 0.000 0.473 149 Q N 1.899 121.800 119.800 0.169 0.000 2.163 149 Q HA 0.275 4.615 4.340 -0.000 0.000 0.198 149 Q C 0.936 176.973 176.000 0.062 0.000 0.954 149 Q CA 1.121 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 0.552 109.412 108.800 0.099 0.000 2.632 150 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.224 150 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.224 150 G C -2.582 172.303 174.900 -0.025 0.000 1.341 150 G CA -0.460 44.648 45.100 0.013 0.000 0.880 150 G HN 0.311 nan 8.290 nan 0.000 0.566 151 P HA 0.208 nan 4.420 nan 0.000 0.265 151 P C -1.771 175.475 177.300 -0.090 0.000 1.187 151 P CA -0.376 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 -3.753 115.296 119.070 -0.035 0.000 1.955 153 H HA 0.340 4.896 4.556 -0.000 0.000 0.196 153 H C 1.092 176.409 175.328 -0.019 0.000 0.891 153 H CA 0.924 56.958 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 1.139 110.000 108.800 0.102 0.000 2.707 154 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.686 154 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.686 154 G C 0.786 175.724 174.900 0.063 0.000 1.315 154 G CA -0.095 45.030 45.100 0.042 0.000 0.832 154 G HN 0.193 nan 8.290 nan 0.000 0.573 155 I N 0.161 120.754 120.570 0.038 0.000 2.113 155 I HA -0.319 3.851 4.170 -0.000 0.000 0.242 155 I C 2.919 179.074 176.117 0.064 0.000 1.064 155 I CA 2.545 63.873 61.300 0.047 0.000 1.320 155 I CB -0.305 37.713 38.000 0.030 0.000 1.028 155 I HN 0.780 nan 8.210 nan 0.000 0.406 156 Q N 1.139 120.979 119.800 0.067 0.000 2.030 156 Q HA -0.198 4.142 4.340 -0.000 0.000 0.204 156 Q C 2.384 178.441 176.000 0.095 0.000 0.986 156 Q CA 2.448 58.303 55.803 0.087 0.000 0.843 156 Q CB -0.099 28.683 28.738 0.074 0.000 0.904 156 Q HN 0.395 nan 8.270 nan 0.000 0.420 157 V N 1.388 121.355 119.914 0.089 0.000 2.407 157 V HA -0.257 3.863 4.120 -0.000 0.000 0.248 157 V C 2.347 178.481 176.094 0.067 0.000 1.055 157 V CA 2.248 64.606 62.300 0.095 0.000 1.049 157 V CB -0.783 31.122 31.823 0.137 0.000 0.662 157 V HN 0.509 nan 8.190 nan 0.000 0.455 158 E N 0.264 120.501 120.200 0.062 0.000 2.077 158 E HA -0.241 4.109 4.350 -0.000 0.000 0.193 158 E C 2.451 179.055 176.600 0.005 0.000 0.989 158 E CA 1.315 57.733 56.400 0.030 0.000 0.800 158 E CB -0.069 29.675 29.700 0.074 0.000 0.746 158 E HN 0.515 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 4.230 4.340 -0.000 0.000 0.231 159 R C 1.937 178.114 176.300 -0.205 0.000 1.119 159 R CA 1.429 57.446 56.100 -0.139 0.000 0.970 159 R CB -0.095 30.157 30.300 -0.081 0.000 0.864 159 R HN 0.248 nan 8.270 nan 0.000 0.440 160 D N 0.474 120.884 120.400 0.017 0.000 2.144 160 D HA -0.119 4.521 4.640 -0.000 0.000 0.199 160 D C 1.642 177.962 176.300 0.034 0.000 0.984 160 D CA 1.238 55.299 54.000 0.102 0.000 0.834 160 D CB 0.054 40.938 40.800 0.140 0.000 0.955 160 D HN 0.188 nan 8.370 nan 0.000 0.465 161 K N 0.020 120.421 120.400 0.001 0.000 2.062 161 K HA 0.063 4.383 4.320 -0.000 0.000 0.205 161 K C 2.108 178.695 176.600 -0.023 0.000 1.051 161 K CA 0.468 56.749 56.287 -0.010 0.000 0.941 161 K CB 0.073 32.549 32.500 -0.039 0.000 0.719 161 K HN 0.155 nan 8.250 nan 0.000 0.440 162 L N 0.300 121.493 121.223 -0.049 0.000 2.492 162 L HA 0.024 4.364 4.340 -0.000 0.000 0.223 162 L C 0.474 177.274 176.870 -0.115 0.000 1.132 162 L CA 0.118 54.925 54.840 -0.056 0.000 0.850 162 L CB -0.442 41.597 42.059 -0.033 0.000 0.966 162 L HN 0.397 nan 8.230 nan 0.000 0.454 163 N N 1.185 119.772 118.700 -0.187 0.000 2.783 163 N HA -0.166 4.574 4.740 -0.000 0.000 0.247 163 N C -0.512 174.757 175.510 -0.402 0.000 1.089 163 N CA 0.357 53.273 53.050 -0.224 0.000 0.690 163 N CB -0.381 38.087 38.487 -0.033 0.000 0.991 163 N HN 0.355 nan 8.380 nan 0.000 0.552 164 K N 1.452 121.452 120.400 -0.667 0.000 2.450 164 K HA 0.418 4.738 4.320 -0.000 0.000 0.257 164 K C -1.408 174.807 176.600 -0.641 0.000 0.953 164 K CA -0.322 55.678 56.287 -0.478 0.000 0.844 164 K CB 1.058 33.400 32.500 -0.263 0.000 1.103 164 K HN 0.099 nan 8.250 nan 0.000 0.429 165 Y N -0.573 119.731 120.300 0.006 0.000 2.562 165 Y HA 0.427 4.977 4.550 -0.000 0.000 0.345 165 Y C 1.021 176.927 175.900 0.010 0.000 1.045 165 Y CA -0.838 57.269 58.100 0.011 0.000 1.028 165 Y CB 2.489 40.956 38.460 0.012 0.000 1.297 165 Y HN 0.747 nan 8.280 nan 0.000 0.463 166 G N 1.487 110.400 108.800 0.187 0.000 2.143 166 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.249 166 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.249 166 G C -0.233 174.711 174.900 0.073 0.000 0.981 166 G CA 0.324 45.490 45.100 0.110 0.000 0.665 166 G HN 0.955 nan 8.290 nan 0.000 0.528 167 R N -2.230 118.307 120.500 0.061 0.000 2.753 167 R HA 0.570 4.910 4.340 -0.000 0.000 0.272 167 R C -3.502 172.818 176.300 0.034 0.000 1.034 167 R CA -1.620 54.508 56.100 0.046 0.000 0.869 167 R CB 0.090 30.412 30.300 0.037 0.000 1.264 167 R HN 0.037 nan 8.270 nan 0.000 0.481 168 P HA 0.132 nan 4.420 nan 0.000 0.271 168 P C -0.660 176.643 177.300 0.005 0.000 1.233 168 P CA -0.360 62.755 63.100 0.024 0.000 0.789 168 P CB 0.479 32.204 31.700 0.042 0.000 0.951 169 L N 1.157 122.376 121.223 -0.007 0.000 2.343 169 L HA 0.410 4.750 4.340 -0.000 0.000 0.275 169 L C 0.078 176.957 176.870 0.015 0.000 1.056 169 L CA -0.632 54.193 54.840 -0.025 0.000 0.804 169 L CB 0.410 42.485 42.059 0.028 0.000 1.203 169 L HN 0.164 nan 8.230 nan 0.000 0.440 170 L N 1.739 122.954 121.223 -0.013 0.000 2.307 170 L HA 0.736 5.076 4.340 -0.000 0.000 0.284 170 L C 0.331 177.253 176.870 0.087 0.000 1.023 170 L CA -0.261 54.621 54.840 0.071 0.000 0.810 170 L CB 1.748 43.842 42.059 0.058 0.000 1.231 170 L HN 0.712 nan 8.230 nan 0.000 0.423 171 G N 0.880 109.765 108.800 0.140 0.000 2.798 171 G HA2 0.624 4.584 3.960 -0.000 0.000 0.286 171 G HA3 0.624 4.584 3.960 -0.000 0.000 0.286 171 G C -1.975 172.961 174.900 0.061 0.000 1.389 171 G CA -0.480 44.692 45.100 0.120 0.000 0.894 171 G HN 0.704 nan 8.290 nan 0.000 0.488 172 C N -0.053 119.233 119.300 -0.024 0.000 2.931 172 C HA 0.736 5.196 4.460 -0.000 0.000 0.370 172 C C -0.259 174.694 174.990 -0.061 0.000 1.071 172 C CA -0.416 58.600 59.018 -0.003 0.000 1.266 172 C CB 0.628 28.384 27.740 0.028 0.000 1.691 172 C HN 0.812 nan 8.230 nan 0.000 0.511 173 T N 7.103 121.642 114.554 -0.025 0.000 2.771 173 T HA 0.411 4.761 4.350 -0.000 0.000 0.291 173 T C 0.436 175.129 174.700 -0.012 0.000 0.954 173 T CA -0.247 61.846 62.100 -0.012 0.000 1.045 173 T CB 0.329 69.223 68.868 0.044 0.000 0.917 173 T HN 0.580 nan 8.240 nan 0.000 0.484 174 I N 3.934 124.476 120.570 -0.047 0.000 2.692 174 I HA 0.233 4.403 4.170 -0.000 0.000 0.284 174 I C 0.701 176.784 176.117 -0.057 0.000 1.159 174 I CA 0.070 61.278 61.300 -0.154 0.000 1.423 174 I CB 0.005 37.676 38.000 -0.548 0.000 1.380 174 I HN 0.439 nan 8.210 nan 0.000 0.580 175 K N 6.028 126.399 120.400 -0.048 0.000 2.443 175 K HA 0.559 4.879 4.320 -0.000 0.000 0.251 175 K C -2.442 174.162 176.600 0.007 0.000 0.972 175 K CA -1.549 54.745 56.287 0.012 0.000 0.833 175 K CB 1.741 34.259 32.500 0.030 0.000 1.317 175 K HN 0.310 nan 8.250 nan 0.000 0.441 176 P HA 0.155 nan 4.420 nan 0.000 0.272 176 P C 0.292 177.624 177.300 0.053 0.000 1.230 176 P CA -0.186 62.929 63.100 0.024 0.000 0.788 176 P CB 0.929 32.626 31.700 -0.007 0.000 0.949 177 K N 0.214 120.643 120.400 0.048 0.000 2.015 177 K HA -0.111 4.209 4.320 -0.000 0.000 0.216 177 K C 0.779 177.444 176.600 0.108 0.000 1.052 177 K CA 1.371 57.707 56.287 0.082 0.000 0.937 177 K CB -0.347 32.181 32.500 0.047 0.000 0.719 177 K HN 0.408 nan 8.250 nan 0.000 0.446 178 L N -2.078 119.138 121.223 -0.013 0.000 2.323 178 L HA 0.423 4.763 4.340 -0.000 0.000 0.265 178 L C 0.818 177.364 176.870 -0.540 0.000 1.012 178 L CA -0.282 54.436 54.840 -0.203 0.000 0.820 178 L CB 2.205 44.172 42.059 -0.154 0.000 1.334 178 L HN 0.500 nan 8.230 nan 0.000 0.427 179 G N 1.029 109.058 108.800 -1.285 0.000 2.316 179 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.203 179 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.203 179 G C -0.075 174.662 174.900 -0.271 0.000 0.999 179 G CA -0.589 44.020 45.100 -0.818 0.000 0.649 179 G HN 0.317 nan 8.290 nan 0.000 0.489 180 L N 2.335 123.554 121.223 -0.007 0.000 2.436 180 L HA 0.545 4.885 4.340 -0.000 0.000 0.265 180 L C 1.531 178.577 176.870 0.294 0.000 1.168 180 L CA 0.139 55.086 54.840 0.178 0.000 0.815 180 L CB 1.313 43.553 42.059 0.302 0.000 1.109 180 L HN 0.516 nan 8.230 nan 0.000 0.462 181 S N 1.150 116.974 115.700 0.207 0.000 2.669 181 S HA 0.383 4.853 4.470 -0.000 0.000 0.270 181 S C 0.915 175.607 174.600 0.154 0.000 1.225 181 S CA -0.169 58.136 58.200 0.175 0.000 0.991 181 S CB 1.592 64.844 63.200 0.086 0.000 0.987 181 S HN 0.684 nan 8.310 nan 0.000 0.552 182 A N 1.001 123.883 122.820 0.103 0.000 1.902 182 A HA -0.061 4.259 4.320 -0.000 0.000 0.217 182 A C 2.174 179.695 177.584 -0.105 0.000 1.181 182 A CA 1.579 53.689 52.037 0.121 0.000 0.623 182 A CB -0.883 18.281 19.000 0.274 0.000 0.818 182 A HN 0.886 nan 8.150 nan 0.000 0.443 183 K N -0.285 119.841 120.400 -0.457 0.000 2.097 183 K HA -0.119 4.201 4.320 -0.000 0.000 0.205 183 K C 1.701 178.142 176.600 -0.266 0.000 1.050 183 K CA 1.534 57.350 56.287 -0.785 0.000 0.938 183 K CB -0.268 31.792 32.500 -0.733 0.000 0.718 183 K HN 0.655 nan 8.250 nan 0.000 0.442 184 N N -0.759 117.889 118.700 -0.087 0.000 2.244 184 N HA -0.157 4.583 4.740 -0.000 0.000 0.183 184 N C 1.596 177.147 175.510 0.068 0.000 1.016 184 N CA 0.664 53.715 53.050 0.003 0.000 0.866 184 N CB -0.067 38.441 38.487 0.035 0.000 0.980 184 N HN 0.149 nan 8.380 nan 0.000 0.430 185 Y N 1.280 121.579 120.300 -0.001 0.000 2.145 185 Y HA -0.114 4.436 4.550 -0.000 0.000 0.286 185 Y C 2.500 178.410 175.900 0.017 0.000 1.145 185 Y CA 1.693 59.818 58.100 0.041 0.000 1.148 185 Y CB -0.661 37.851 38.460 0.087 0.000 0.981 185 Y HN 0.011 nan 8.280 nan 0.000 0.507 186 G N -0.540 108.361 108.800 0.167 0.000 2.432 186 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 186 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 186 G C 1.745 176.697 174.900 0.088 0.000 1.135 186 G CA 0.871 46.039 45.100 0.112 0.000 0.767 186 G HN 0.370 nan 8.290 nan 0.000 0.550 187 R N 0.534 121.066 120.500 0.053 0.000 2.075 187 R HA 0.111 4.451 4.340 -0.000 0.000 0.232 187 R C 2.720 179.064 176.300 0.074 0.000 1.126 187 R CA 1.456 57.606 56.100 0.084 0.000 0.963 187 R CB -0.398 29.923 30.300 0.036 0.000 0.858 187 R HN 0.233 nan 8.270 nan 0.000 0.435 188 A N 0.396 123.218 122.820 0.003 0.000 1.969 188 A HA -0.028 4.292 4.320 -0.000 0.000 0.218 188 A C 2.196 179.754 177.584 -0.043 0.000 1.169 188 A CA 1.194 53.205 52.037 -0.043 0.000 0.635 188 A CB -0.253 18.680 19.000 -0.112 0.000 0.810 188 A HN 0.231 nan 8.150 nan 0.000 0.445 189 V N -1.253 118.651 119.914 -0.017 0.000 2.323 189 V HA -0.234 3.886 4.120 -0.000 0.000 0.244 189 V C 2.349 178.478 176.094 0.058 0.000 1.041 189 V CA 1.981 64.293 62.300 0.022 0.000 1.025 189 V CB -0.953 30.873 31.823 0.006 0.000 0.656 189 V HN 0.749 nan 8.190 nan 0.000 0.451 190 Y N 1.562 121.861 120.300 -0.002 0.000 2.145 190 Y HA -0.207 4.343 4.550 0.000 0.000 0.286 190 Y C 2.519 178.424 175.900 0.007 0.000 1.145 190 Y CA 1.859 59.965 58.100 0.010 0.000 1.148 190 Y CB -0.339 38.133 38.460 0.020 0.000 0.981 190 Y HN 0.283 nan 8.280 nan 0.000 0.507 191 E N -0.417 119.563 120.200 -0.367 0.000 2.077 191 E HA -0.201 4.149 4.350 -0.000 0.000 0.193 191 E C 2.467 178.914 176.600 -0.256 0.000 0.989 191 E CA 1.470 57.625 56.400 -0.409 0.000 0.800 191 E CB -0.888 28.701 29.700 -0.184 0.000 0.746 191 E HN 0.560 nan 8.360 nan 0.000 0.452 192 C N 0.828 120.041 119.300 -0.145 0.000 2.446 192 C HA -0.047 4.413 4.460 -0.000 0.000 0.277 192 C C 2.875 177.808 174.990 -0.095 0.000 1.275 192 C CA 0.260 59.221 59.018 -0.095 0.000 1.727 192 C CB -1.138 26.574 27.740 -0.047 0.000 2.010 192 C HN 0.350 nan 8.230 nan 0.000 0.486 193 L N 1.317 122.490 121.223 -0.083 0.000 2.046 193 L HA -0.153 4.187 4.340 -0.000 0.000 0.208 193 L C 2.905 179.726 176.870 -0.081 0.000 1.077 193 L CA 1.758 56.566 54.840 -0.053 0.000 0.747 193 L CB -0.741 41.324 42.059 0.009 0.000 0.896 193 L HN 0.479 nan 8.230 nan 0.000 0.432 194 R N 0.507 120.909 120.500 -0.164 0.000 2.285 194 R HA -0.048 4.292 4.340 -0.000 0.000 0.213 194 R C 1.803 178.041 176.300 -0.104 0.000 1.068 194 R CA 1.156 57.173 56.100 -0.137 0.000 1.004 194 R CB -0.579 29.564 30.300 -0.260 0.000 0.873 194 R HN 0.246 nan 8.270 nan 0.000 0.467 195 G N -0.446 108.285 108.800 -0.114 0.000 2.985 195 G HA2 0.254 4.214 3.960 -0.000 0.000 0.209 195 G HA3 0.254 4.214 3.960 -0.000 0.000 0.209 195 G C 0.885 175.747 174.900 -0.064 0.000 1.165 195 G CA 0.233 45.281 45.100 -0.087 0.000 0.776 195 G HN 0.568 nan 8.290 nan 0.000 0.541 196 G N -0.784 107.981 108.800 -0.059 0.000 2.227 196 G HA2 -0.184 3.776 3.960 -0.000 0.000 0.168 196 G HA3 -0.184 3.776 3.960 -0.000 0.000 0.168 196 G C 0.283 175.147 174.900 -0.061 0.000 1.006 196 G CA -0.271 44.799 45.100 -0.051 0.000 0.684 196 G HN 0.338 nan 8.290 nan 0.000 0.489 197 L N 1.245 122.431 121.223 -0.062 0.000 2.395 197 L HA 0.376 4.716 4.340 -0.000 0.000 0.269 197 L C 1.077 177.879 176.870 -0.113 0.000 1.133 197 L CA -0.673 54.131 54.840 -0.061 0.000 0.812 197 L CB 0.634 42.677 42.059 -0.027 0.000 1.125 197 L HN 0.004 nan 8.230 nan 0.000 0.452 198 D N 1.307 121.579 120.400 -0.213 0.000 2.183 198 D HA 0.041 4.681 4.640 -0.000 0.000 0.205 198 D C -0.143 175.890 176.300 -0.445 0.000 0.962 198 D CA 1.497 55.231 54.000 -0.444 0.000 0.849 198 D CB 0.319 40.643 40.800 -0.794 0.000 0.978 198 D HN 0.137 nan 8.370 nan 0.000 0.488 199 F N -0.056 119.878 119.950 -0.027 0.000 2.588 199 F HA 0.348 4.874 4.527 -0.000 0.000 0.314 199 F C 0.479 176.148 175.800 -0.218 0.000 1.069 199 F CA -1.118 56.818 58.000 -0.107 0.000 0.931 199 F CB 1.721 40.650 39.000 -0.119 0.000 1.260 199 F HN -0.359 nan 8.300 nan 0.000 0.465 200 T N -1.086 113.412 114.554 -0.093 0.000 2.916 200 T HA 0.867 5.217 4.350 -0.000 0.000 0.292 200 T C -1.140 173.155 174.700 -0.676 0.000 1.064 200 T CA -1.045 60.945 62.100 -0.184 0.000 1.011 200 T CB 2.699 71.624 68.868 0.095 0.000 1.152 200 T HN 0.793 nan 8.240 nan 0.000 0.510 201 K N -0.101 119.946 120.400 -0.589 0.000 2.556 201 K HA 0.594 4.914 4.320 -0.000 0.000 0.274 201 K C -1.847 174.659 176.600 -0.157 0.000 0.966 201 K CA -0.980 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 1.259 121.664 120.400 0.008 0.000 2.362 202 D HA 0.105 4.745 4.640 -0.000 0.000 0.242 202 D C -0.510 175.918 176.300 0.213 0.000 1.132 202 D CA 0.278 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 0.364 120.904 120.400 0.232 0.000 2.358 203 D HA -0.048 4.592 4.640 -0.000 0.000 0.244 203 D C 1.386 177.693 176.300 0.012 0.000 1.163 203 D CA -0.262 53.810 54.000 0.121 0.000 0.945 203 D CB 0.813 41.682 40.800 0.115 0.000 1.152 203 D HN 0.378 nan 8.370 nan 0.000 0.451 204 E N 1.468 121.532 120.200 -0.227 0.000 2.209 204 E HA -0.242 4.108 4.350 -0.000 0.000 0.196 204 E C 0.550 177.058 176.600 -0.153 0.000 0.993 204 E CA 1.091 57.259 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 0.878 119.538 118.700 -0.066 0.000 2.280 205 N HA 0.023 4.763 4.740 -0.000 0.000 0.192 205 N C -0.003 175.546 175.510 0.065 0.000 1.109 205 N CA -0.130 52.917 53.050 -0.005 0.000 0.855 205 N CB 0.266 38.756 38.487 0.004 0.000 0.974 205 N HN -0.064 nan 8.380 nan 0.000 0.482 206 V N 1.848 121.817 119.914 0.092 0.000 2.372 206 V HA 0.194 4.314 4.120 -0.000 0.000 0.261 206 V C 0.265 176.415 176.094 0.093 0.000 1.055 206 V CA -0.203 62.172 62.300 0.126 0.000 0.930 206 V CB -0.324 31.585 31.823 0.144 0.000 1.031 206 V HN 0.299 nan 8.190 nan 0.000 0.479 207 N N 2.584 121.320 118.700 0.061 0.000 2.871 207 N HA 0.253 4.993 4.740 -0.000 0.000 0.204 207 N C -0.177 175.371 175.510 0.063 0.000 1.233 207 N CA -0.336 52.748 53.050 0.056 0.000 1.124 207 N CB 0.564 39.057 38.487 0.010 0.000 1.414 207 N HN 0.498 nan 8.380 nan 0.000 0.511 208 S N 0.175 115.880 115.700 0.008 0.000 2.677 208 S HA 0.445 4.915 4.470 -0.000 0.000 0.283 208 S C -1.814 172.708 174.600 -0.129 0.000 1.159 208 S CA -0.417 57.787 58.200 0.006 0.000 1.001 208 S CB 1.146 64.450 63.200 0.173 0.000 1.032 208 S HN 0.256 nan 8.310 nan 0.000 0.487 209 Q N 3.299 122.901 119.800 -0.330 0.000 2.501 209 Q HA 0.465 4.805 4.340 -0.000 0.000 0.288 209 Q C -2.122 173.604 176.000 -0.456 0.000 1.051 209 Q CA -1.807 53.739 55.803 -0.429 0.000 0.788 209 Q CB 1.608 29.935 28.738 -0.685 0.000 1.469 209 Q HN 0.249 nan 8.270 nan 0.000 0.416 210 P HA -0.217 nan 4.420 nan 0.000 0.217 210 P C 0.595 177.839 177.300 -0.093 0.000 1.151 210 P CA 1.528 64.561 63.100 -0.111 0.000 0.849 210 P CB 0.027 31.734 31.700 0.012 0.000 0.787 211 F N -2.541 117.419 119.950 0.018 0.000 2.407 211 F HA 0.234 4.761 4.527 -0.000 0.000 0.299 211 F C 1.030 176.843 175.800 0.021 0.000 1.097 211 F CA 0.179 58.192 58.000 0.021 0.000 1.422 211 F CB -0.616 38.401 39.000 0.029 0.000 1.067 211 F HN -0.171 nan 8.300 nan 0.000 0.539 212 M N 1.226 120.595 119.600 -0.386 0.000 2.310 212 M HA 0.353 4.833 4.480 -0.000 0.000 0.242 212 M C -1.479 174.671 176.300 -0.250 0.000 1.000 212 M CA -0.540 54.654 55.300 -0.177 0.000 0.970 212 M CB 1.176 33.765 32.600 -0.018 0.000 2.191 212 M HN -0.192 nan 8.290 nan 0.000 0.470 213 R N 3.856 124.265 120.500 -0.153 0.000 2.459 213 R HA 0.253 4.593 4.340 -0.000 0.000 0.281 213 R C 1.091 177.309 176.300 -0.137 0.000 1.050 213 R CA -0.185 55.819 56.100 -0.161 0.000 1.055 213 R CB 0.681 30.858 30.300 -0.206 0.000 1.045 213 R HN 0.975 nan 8.270 nan 0.000 0.495 214 W N 4.433 125.634 121.300 -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 0.952 58.178 57.345 -0.199 0.000 1.266 214 W CB -0.546 28.724 29.460 -0.316 0.000 1.150 214 W HN 0.587 nan 8.180 nan 0.000 0.496 215 R N 0.969 120.642 120.500 -1.379 0.000 2.120 215 R HA -0.149 4.191 4.340 -0.000 0.000 0.234 215 R C 1.879 177.946 176.300 -0.388 0.000 1.123 215 R CA 2.070 57.450 56.100 -1.200 0.000 0.975 215 R CB -0.384 28.936 30.300 -1.634 0.000 0.866 215 R HN 0.034 nan 8.270 nan 0.000 0.446 216 D N -0.311 119.926 120.400 -0.272 0.000 2.144 216 D HA -0.160 4.480 4.640 -0.000 0.000 0.200 216 D C 1.841 178.244 176.300 0.171 0.000 0.978 216 D CA 0.883 54.854 54.000 -0.047 0.000 0.833 216 D CB -0.124 40.700 40.800 0.040 0.000 0.961 216 D HN 0.255 nan 8.370 nan 0.000 0.470 217 R N -0.164 120.453 120.500 0.193 0.000 2.062 217 R HA -0.134 4.206 4.340 -0.000 0.000 0.231 217 R C 2.224 178.770 176.300 0.410 0.000 1.136 217 R CA 1.004 57.281 56.100 0.296 0.000 0.948 217 R CB -0.322 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 1.117 121.184 119.950 0.196 0.000 2.120 218 F HA -0.221 4.306 4.527 -0.000 0.000 0.300 218 F C 2.240 178.121 175.800 0.136 0.000 1.095 218 F CA 1.182 59.318 58.000 0.225 0.000 1.249 218 F CB -0.890 38.367 39.000 0.429 0.000 0.995 218 F HN 0.102 nan 8.300 nan 0.000 0.480 219 L N -1.475 119.951 121.223 0.338 0.000 2.017 219 L HA -0.227 4.113 4.340 -0.000 0.000 0.208 219 L C 2.306 179.177 176.870 0.001 0.000 1.073 219 L CA 1.487 56.395 54.840 0.114 0.000 0.745 219 L CB -0.545 41.500 42.059 -0.024 0.000 0.894 219 L HN -0.046 nan 8.230 nan 0.000 0.432 220 F N -1.056 118.962 119.950 0.112 0.000 2.186 220 F HA -0.179 4.348 4.527 -0.000 0.000 0.299 220 F C 2.567 178.389 175.800 0.036 0.000 1.090 220 F CA 1.101 59.145 58.000 0.073 0.000 1.307 220 F CB -1.070 37.977 39.000 0.078 0.000 1.019 220 F HN 0.178 nan 8.300 nan 0.000 0.489 221 C N -0.422 118.983 119.300 0.175 0.000 2.435 221 C HA -0.028 4.431 4.460 -0.000 0.000 0.279 221 C C 3.071 178.023 174.990 -0.063 0.000 1.321 221 C CA 0.846 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 0.337 123.140 122.820 -0.030 0.000 1.898 222 A HA -0.207 4.113 4.320 -0.000 0.000 0.216 222 A C 2.162 179.735 177.584 -0.018 0.000 1.181 222 A CA 1.755 53.722 52.037 -0.116 0.000 0.620 222 A CB -0.626 18.366 19.000 -0.014 0.000 0.819 222 A HN 0.690 nan 8.150 nan 0.000 0.442 223 E N -0.027 120.235 120.200 0.104 0.000 2.051 223 E HA -0.146 4.204 4.350 -0.000 0.000 0.192 223 E C 2.162 178.825 176.600 0.105 0.000 0.991 223 E CA 1.084 57.574 56.400 0.150 0.000 0.799 223 E CB -0.251 29.534 29.700 0.141 0.000 0.748 223 E HN 0.518 nan 8.360 nan 0.000 0.449 224 A N 1.335 124.207 122.820 0.087 0.000 1.877 224 A HA -0.179 4.141 4.320 -0.000 0.000 0.216 224 A C 2.229 179.880 177.584 0.110 0.000 1.186 224 A CA 1.700 53.797 52.037 0.100 0.000 0.620 224 A CB -0.816 18.265 19.000 0.135 0.000 0.822 224 A HN 0.418 nan 8.150 nan 0.000 0.443 225 L N -2.792 118.432 121.223 0.002 0.000 2.083 225 L HA -0.095 4.245 4.340 -0.000 0.000 0.209 225 L C 2.184 179.047 176.870 -0.013 0.000 1.083 225 L CA 1.916 56.735 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 0.536 120.878 120.300 0.070 0.000 2.352 226 Y HA -0.094 4.456 4.550 -0.000 0.000 0.292 226 Y C 2.736 178.665 175.900 0.049 0.000 1.136 226 Y CA 1.396 59.526 58.100 0.049 0.000 1.227 226 Y CB -0.587 37.890 38.460 0.027 0.000 0.991 226 Y HN 0.353 nan 8.280 nan 0.000 0.545 227 K N 0.017 120.526 120.400 0.181 0.000 2.031 227 K HA -0.079 4.240 4.320 -0.000 0.000 0.205 227 K C 2.308 179.029 176.600 0.202 0.000 1.049 227 K CA 1.002 57.346 56.287 0.095 0.000 0.939 227 K CB -0.196 32.224 32.500 -0.133 0.000 0.717 227 K HN 0.181 nan 8.250 nan 0.000 0.438 228 A N 1.112 124.117 122.820 0.310 0.000 1.933 228 A HA -0.224 4.096 4.320 -0.000 0.000 0.218 228 A C 2.057 179.735 177.584 0.158 0.000 1.175 228 A CA 1.593 53.802 52.037 0.286 0.000 0.628 228 A CB -0.568 18.561 19.000 0.214 0.000 0.814 228 A HN 0.545 nan 8.150 nan 0.000 0.444 229 Q N -0.652 119.234 119.800 0.144 0.000 2.119 229 Q HA -0.088 4.252 4.340 -0.000 0.000 0.201 229 Q C 2.125 178.188 176.000 0.105 0.000 0.972 229 Q CA 1.395 57.267 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 0.517 123.408 122.820 0.117 0.000 1.968 230 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 230 A C 1.829 179.459 177.584 0.077 0.000 1.169 230 A CA 1.436 53.524 52.037 0.085 0.000 0.638 230 A CB -0.472 18.573 19.000 0.075 0.000 0.812 230 A HN 0.583 nan 8.150 nan 0.000 0.446 231 E N -0.280 119.980 120.200 0.101 0.000 2.072 231 E HA -0.146 4.204 4.350 -0.000 0.000 0.190 231 E C 1.995 178.635 176.600 0.067 0.000 0.982 231 E CA 1.702 58.159 56.400 0.095 0.000 0.803 231 E CB -0.026 29.763 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 -0.000 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 0.554 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 -0.191 3.769 3.960 -0.000 0.000 0.248 233 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.248 233 G C -0.280 174.633 174.900 0.021 0.000 0.979 233 G CA 0.089 45.206 45.100 0.029 0.000 0.650 233 G HN 0.665 nan 8.290 nan 0.000 0.529 234 E N -0.393 119.816 120.200 0.015 0.000 2.212 234 E HA 0.575 4.925 4.350 -0.000 0.000 0.268 234 E C 0.275 176.874 176.600 -0.001 0.000 0.902 234 E CA -1.072 55.326 56.400 -0.005 0.000 0.779 234 E CB 1.822 31.506 29.700 -0.026 0.000 1.172 234 E HN 0.285 nan 8.360 nan 0.000 0.409 235 I N 3.267 123.831 120.570 -0.011 0.000 2.618 235 I HA -0.023 4.147 4.170 -0.000 0.000 0.284 235 I C 0.416 176.522 176.117 -0.019 0.000 1.146 235 I CA 0.500 61.804 61.300 0.005 0.000 1.425 235 I CB 0.093 38.096 38.000 0.004 0.000 1.383 235 I HN 0.175 nan 8.210 nan 0.000 0.562 236 K N 4.583 124.995 120.400 0.021 0.000 2.295 236 K HA 0.793 5.113 4.320 -0.000 0.000 0.239 236 K C -0.223 176.438 176.600 0.101 0.000 0.991 236 K CA -0.733 55.567 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 -0.000 0.000 0.293 237 G HA3 0.373 4.333 3.960 -0.000 0.000 0.293 237 G C -1.891 173.191 174.900 0.302 0.000 1.399 237 G CA -0.279 45.009 45.100 0.313 0.000 0.890 237 G HN 0.559 nan 8.290 nan 0.000 0.485 238 H N 0.990 120.117 119.070 0.096 0.000 2.924 238 H HA 0.337 4.893 4.556 0.000 0.000 0.333 238 H C -1.087 174.263 175.328 0.037 0.000 0.979 238 H CA -0.559 55.491 56.048 0.002 0.000 1.326 238 H CB 1.220 30.970 29.762 -0.021 0.000 1.600 238 H HN 0.355 nan 8.280 nan 0.000 0.520 239 Y N 5.358 125.347 120.300 -0.518 0.000 2.537 239 Y HA 0.109 4.659 4.550 -0.000 0.000 0.339 239 Y C 0.583 176.327 175.900 -0.259 0.000 1.066 239 Y CA -0.597 57.283 58.100 -0.366 0.000 1.357 239 Y CB -0.261 37.964 38.460 -0.391 0.000 1.175 239 Y HN 0.364 nan 8.280 nan 0.000 0.525 240 L N 4.178 125.372 121.223 -0.048 0.000 2.265 240 L HA 0.274 4.614 4.340 -0.000 0.000 0.288 240 L C 0.567 177.408 176.870 -0.048 0.000 1.058 240 L CA -0.220 54.477 54.840 -0.237 0.000 0.809 240 L CB 0.627 42.168 42.059 -0.863 0.000 1.179 240 L HN 0.631 nan 8.230 nan 0.000 0.429 241 N N 1.852 120.626 118.700 0.124 0.000 2.442 241 N HA 0.217 4.957 4.740 -0.000 0.000 0.265 241 N C 0.530 176.196 175.510 0.259 0.000 1.138 241 N CA -0.076 53.093 53.050 0.198 0.000 0.956 241 N CB 1.121 39.722 38.487 0.191 0.000 1.067 241 N HN 0.789 nan 8.380 nan 0.000 0.474 242 A N 2.723 125.652 122.820 0.182 0.000 2.348 242 A HA 0.098 4.418 4.320 -0.000 0.000 0.224 242 A C 0.621 178.243 177.584 0.064 0.000 1.227 242 A CA -0.102 51.994 52.037 0.099 0.000 0.885 242 A CB 0.074 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 0.444 4.794 4.350 -0.000 0.000 0.306 243 T C 0.278 174.985 174.700 0.011 0.000 1.045 243 T CA 0.950 63.125 62.100 0.126 0.000 1.143 243 T CB 0.734 69.613 68.868 0.019 0.000 1.003 243 T HN 0.809 nan 8.240 nan 0.000 0.540 244 A N 2.205 125.024 122.820 -0.002 0.000 2.515 244 A HA 0.802 5.122 4.320 -0.000 0.000 0.299 244 A C 1.266 178.825 177.584 -0.042 0.000 1.179 244 A CA -0.249 51.751 52.037 -0.061 0.000 0.656 244 A CB 0.382 19.302 19.000 -0.133 0.000 1.306 244 A HN 0.762 nan 8.150 nan 0.000 0.459 245 G N -0.886 107.882 108.800 -0.053 0.000 2.464 245 G HA2 0.366 4.326 3.960 -0.000 0.000 0.217 245 G HA3 0.366 4.326 3.960 -0.000 0.000 0.217 245 G C 0.657 175.536 174.900 -0.035 0.000 1.138 245 G CA 1.777 46.853 45.100 -0.039 0.000 0.793 245 G HN 1.577 nan 8.290 nan 0.000 0.539 246 T N -3.962 110.564 114.554 -0.046 0.000 2.901 246 T HA 0.310 4.660 4.350 -0.000 0.000 0.293 246 T C 0.896 175.563 174.700 -0.056 0.000 1.084 246 T CA -0.320 61.754 62.100 -0.043 0.000 1.008 246 T CB 1.435 70.277 68.868 -0.043 0.000 1.170 246 T HN -0.079 nan 8.240 nan 0.000 0.509 247 C N 0.519 119.789 119.300 -0.051 0.000 2.425 247 C HA -0.012 4.448 4.460 -0.000 0.000 0.277 247 C C 2.631 177.567 174.990 -0.090 0.000 1.280 247 C CA 0.779 59.757 59.018 -0.068 0.000 1.744 247 C CB -1.357 26.351 27.740 -0.054 0.000 1.989 247 C HN 1.017 nan 8.230 nan 0.000 0.491 248 E N 1.278 121.433 120.200 -0.075 0.000 2.051 248 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 248 E C 1.712 178.245 176.600 -0.112 0.000 0.991 248 E CA 1.384 57.736 56.400 -0.080 0.000 0.799 248 E CB -0.289 29.378 29.700 -0.054 0.000 0.748 248 E HN 0.546 nan 8.360 nan 0.000 0.449 249 D N -0.190 120.138 120.400 -0.121 0.000 2.144 249 D HA -0.126 4.514 4.640 -0.000 0.000 0.200 249 D C 1.855 177.997 176.300 -0.263 0.000 0.978 249 D CA 0.728 54.620 54.000 -0.181 0.000 0.833 249 D CB -0.186 40.517 40.800 -0.161 0.000 0.961 249 D HN 0.172 nan 8.370 nan 0.000 0.470 250 M N -0.217 119.261 119.600 -0.203 0.000 2.086 250 M HA -0.176 4.304 4.480 -0.000 0.000 0.261 250 M C 1.747 177.893 176.300 -0.256 0.000 1.067 250 M CA 1.253 56.426 55.300 -0.211 0.000 1.116 250 M CB 0.044 32.553 32.600 -0.152 0.000 1.348 250 M HN -0.106 nan 8.290 nan 0.000 0.407 251 M N 0.272 119.725 119.600 -0.244 0.000 2.229 251 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 251 M C 1.938 178.076 176.300 -0.271 0.000 1.063 251 M CA 1.502 56.621 55.300 -0.302 0.000 1.114 251 M CB -1.201 31.254 32.600 -0.243 0.000 1.387 251 M HN 0.303 nan 8.290 nan 0.000 0.420 252 K N 0.072 120.336 120.400 -0.226 0.000 2.063 252 K HA -0.145 4.175 4.320 -0.000 0.000 0.208 252 K C 2.115 178.576 176.600 -0.232 0.000 1.048 252 K CA 1.284 57.469 56.287 -0.169 0.000 0.928 252 K CB -0.116 32.286 32.500 -0.164 0.000 0.713 252 K HN 0.402 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 -0.000 0.000 0.229 253 R C 2.383 178.705 176.300 0.036 0.000 1.120 253 R CA 1.032 56.794 56.100 -0.564 0.000 0.967 253 R CB -0.291 29.550 30.300 -0.764 0.000 0.862 253 R HN 0.137 nan 8.270 nan 0.000 0.436 254 A N 0.937 123.714 122.820 -0.072 0.000 1.902 254 A HA -0.101 4.219 4.320 -0.000 0.000 0.217 254 A C 2.352 179.982 177.584 0.076 0.000 1.181 254 A CA 1.284 53.309 52.037 -0.021 0.000 0.623 254 A CB -0.518 18.307 19.000 -0.292 0.000 0.818 254 A HN 0.102 nan 8.150 nan 0.000 0.443 255 V N -1.300 118.614 119.914 -0.001 0.000 2.407 255 V HA -0.225 3.895 4.120 -0.000 0.000 0.248 255 V C 2.266 178.546 176.094 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 1.349 121.428 119.950 0.215 0.000 2.259 256 F HA 0.023 4.550 4.527 -0.000 0.000 0.298 256 F C 2.233 178.235 175.800 0.337 0.000 1.088 256 F CA 0.778 58.955 58.000 0.295 0.000 1.358 256 F CB -0.605 38.644 39.000 0.415 0.000 1.040 256 F HN 0.081 nan 8.300 nan 0.000 0.505 257 A N 0.499 123.513 122.820 0.323 0.000 1.933 257 A HA -0.170 4.150 4.320 -0.000 0.000 0.218 257 A C 2.456 180.089 177.584 0.081 0.000 1.175 257 A CA 1.354 53.480 52.037 0.150 0.000 0.628 257 A CB -0.702 18.396 19.000 0.164 0.000 0.814 257 A HN 0.284 nan 8.150 nan 0.000 0.444 258 R N 0.066 120.660 120.500 0.156 0.000 2.081 258 R HA -0.140 4.199 4.340 -0.000 0.000 0.235 258 R C 2.054 178.406 176.300 0.087 0.000 1.131 258 R CA 1.838 58.022 56.100 0.140 0.000 0.960 258 R CB -0.461 29.971 30.300 0.221 0.000 0.856 258 R HN 0.781 nan 8.270 nan 0.000 0.436 259 E N 0.207 120.457 120.200 0.084 0.000 2.204 259 E HA -0.134 4.216 4.350 -0.000 0.000 0.194 259 E C 1.873 178.455 176.600 -0.030 0.000 0.989 259 E CA 0.706 57.140 56.400 0.055 0.000 0.824 259 E CB 0.025 29.813 29.700 0.147 0.000 0.756 259 E HN 0.332 nan 8.360 nan 0.000 0.477 260 L N -0.686 120.457 121.223 -0.133 0.000 2.418 260 L HA 0.136 4.476 4.340 -0.000 0.000 0.218 260 L C 1.558 178.469 176.870 0.069 0.000 1.125 260 L CA 0.530 55.311 54.840 -0.098 0.000 0.835 260 L CB 0.085 42.013 42.059 -0.219 0.000 0.953 260 L HN 0.411 nan 8.230 nan 0.000 0.454 261 G N 0.660 109.496 108.800 0.060 0.000 2.143 261 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.248 261 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.248 261 G C 0.371 175.350 174.900 0.131 0.000 0.991 261 G CA 0.229 45.392 45.100 0.105 0.000 0.689 261 G HN 0.246 nan 8.290 nan 0.000 0.522 262 V N -1.922 118.032 119.914 0.067 0.000 2.881 262 V HA 0.693 4.813 4.120 -0.000 0.000 0.303 262 V C 0.008 176.114 176.094 0.020 0.000 1.070 262 V CA -0.768 61.539 62.300 0.013 0.000 1.074 262 V CB 1.233 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 63.685 63.100 0.003 0.000 0.792 263 P CB 0.581 32.303 31.700 0.037 0.000 0.997 264 I N 0.238 120.781 120.570 -0.044 0.000 2.692 264 I HA 0.332 4.502 4.170 -0.000 0.000 0.293 264 I C -0.969 175.088 176.117 -0.100 0.000 1.200 264 I CA -1.289 59.936 61.300 -0.124 0.000 1.036 264 I CB 2.548 40.404 38.000 -0.240 0.000 1.258 264 I HN -0.288 nan 8.210 nan 0.000 0.421 265 V N 4.243 124.091 119.914 -0.109 0.000 3.204 265 V HA 0.729 4.849 4.120 -0.000 0.000 0.316 265 V C -0.672 175.381 176.094 -0.067 0.000 1.160 265 V CA -0.754 61.514 62.300 -0.053 0.000 1.044 265 V CB 1.922 33.753 31.823 0.014 0.000 1.136 265 V HN 0.917 nan 8.190 nan 0.000 0.455 266 M N 1.323 120.942 119.600 0.032 0.000 2.531 266 M HA 0.702 5.182 4.480 -0.000 0.000 0.286 266 M C -1.973 174.441 176.300 0.189 0.000 1.232 266 M CA -0.399 54.962 55.300 0.103 0.000 0.877 266 M CB 2.237 34.952 32.600 0.191 0.000 1.726 266 M HN 1.177 nan 8.290 nan 0.000 0.463 267 H N 0.959 120.064 119.070 0.057 0.000 2.974 267 H HA 0.442 4.998 4.556 -0.000 0.000 0.366 267 H C -1.929 173.452 175.328 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 -0.000 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 -0.000 0.000 0.290 269 Y C 1.212 176.878 175.900 -0.390 0.000 1.144 269 Y CA 1.040 58.957 58.100 -0.304 0.000 1.228 269 Y CB -0.397 37.986 38.460 -0.128 0.000 0.985 269 Y HN 0.260 nan 8.280 nan 0.000 0.542 270 L N 0.206 121.002 121.223 -0.711 0.000 2.202 270 L HA -0.026 4.314 4.340 -0.000 0.000 0.205 270 L C 2.533 179.169 176.870 -0.390 0.000 1.083 270 L CA 1.340 55.757 54.840 -0.704 0.000 0.790 270 L CB -0.636 41.033 42.059 -0.649 0.000 0.942 270 L HN 0.400 nan 8.230 nan 0.000 0.452 271 T N -3.546 110.831 114.554 -0.295 0.000 2.978 271 T HA 0.013 4.363 4.350 -0.000 0.000 0.262 271 T C 1.856 176.449 174.700 -0.179 0.000 1.063 271 T CA 0.779 62.757 62.100 -0.203 0.000 1.140 271 T CB -0.378 68.390 68.868 -0.166 0.000 0.886 271 T HN 0.299 nan 8.240 nan 0.000 0.470 272 G N 1.461 110.124 108.800 -0.228 0.000 2.404 272 G HA2 0.444 4.404 3.960 -0.000 0.000 0.214 272 G HA3 0.444 4.404 3.960 -0.000 0.000 0.214 272 G C 0.813 175.686 174.900 -0.046 0.000 1.189 272 G CA 0.279 45.313 45.100 -0.111 0.000 0.789 272 G HN 1.206 nan 8.290 nan 0.000 0.533 273 G N -2.170 106.560 108.800 -0.116 0.000 2.428 273 G HA2 0.078 4.038 3.960 -0.000 0.000 0.681 273 G HA3 0.078 4.038 3.960 -0.000 0.000 0.681 273 G C 0.028 174.883 174.900 -0.076 0.000 1.340 273 G CA -0.210 44.810 45.100 -0.133 0.000 0.915 273 G HN 0.054 nan 8.290 nan 0.000 0.645 274 F N 0.485 120.494 119.950 0.098 0.000 2.186 274 F HA 0.043 4.570 4.527 -0.000 0.000 0.299 274 F C 3.097 178.936 175.800 0.064 0.000 1.090 274 F CA 2.189 60.256 58.000 0.112 0.000 1.307 274 F CB -0.584 38.470 39.000 0.091 0.000 1.019 274 F HN 0.534 nan 8.300 nan 0.000 0.489 275 T N -0.108 114.572 114.554 0.210 0.000 2.708 275 T HA -0.202 4.148 4.350 -0.000 0.000 0.266 275 T C 2.303 177.030 174.700 0.045 0.000 1.037 275 T CA 1.519 63.680 62.100 0.103 0.000 1.146 275 T CB -0.670 68.243 68.868 0.075 0.000 0.865 275 T HN 0.277 nan 8.240 nan 0.000 0.435 276 A N 1.783 124.632 122.820 0.048 0.000 1.930 276 A HA -0.103 4.217 4.320 -0.000 0.000 0.217 276 A C 2.249 179.784 177.584 -0.081 0.000 1.175 276 A CA 1.465 53.495 52.037 -0.011 0.000 0.627 276 A CB -0.730 18.286 19.000 0.027 0.000 0.815 276 A HN 0.549 nan 8.150 nan 0.000 0.443 277 N N -0.310 118.416 118.700 0.043 0.000 2.120 277 N HA -0.145 4.595 4.740 -0.000 0.000 0.188 277 N C 1.545 177.029 175.510 -0.044 0.000 1.024 277 N CA 1.996 55.053 53.050 0.011 0.000 0.852 277 N CB -0.148 38.501 38.487 0.269 0.000 1.003 277 N HN 0.419 nan 8.380 nan 0.000 0.424 278 T N -0.203 114.336 114.554 -0.026 0.000 2.788 278 T HA -0.083 4.267 4.350 -0.000 0.000 0.268 278 T C 1.829 176.310 174.700 -0.366 0.000 1.044 278 T CA 1.559 63.555 62.100 -0.174 0.000 1.139 278 T CB -0.545 68.239 68.868 -0.140 0.000 0.867 278 T HN 0.303 nan 8.240 nan 0.000 0.454 279 T N 2.086 116.503 114.554 -0.228 0.000 2.746 279 T HA -0.020 4.330 4.350 -0.000 0.000 0.267 279 T C 1.860 176.514 174.700 -0.077 0.000 1.039 279 T CA 0.809 62.811 62.100 -0.163 0.000 1.142 279 T CB -0.406 68.402 68.868 -0.101 0.000 0.866 279 T HN 0.112 nan 8.240 nan 0.000 0.444 280 L N 0.954 122.104 121.223 -0.121 0.000 2.093 280 L HA 0.056 4.396 4.340 -0.000 0.000 0.208 280 L C 2.617 179.509 176.870 0.036 0.000 1.085 280 L CA 1.660 56.457 54.840 -0.072 0.000 0.755 280 L CB -0.958 40.953 42.059 -0.246 0.000 0.904 280 L HN 0.182 nan 8.230 nan 0.000 0.435 281 S N -1.508 114.189 115.700 -0.006 0.000 2.368 281 S HA -0.240 4.230 4.470 -0.000 0.000 0.225 281 S C 2.077 176.777 174.600 0.166 0.000 1.030 281 S CA 1.344 59.578 58.200 0.057 0.000 0.999 281 S CB -0.394 62.833 63.200 0.044 0.000 0.844 281 S HN 0.659 nan 8.310 nan 0.000 0.459 282 H N -0.718 118.362 119.070 0.017 0.000 2.357 282 H HA 0.010 4.566 4.556 -0.000 0.000 0.301 282 H C 1.749 177.083 175.328 0.011 0.000 1.082 282 H CA 1.549 57.599 56.048 0.003 0.000 1.342 282 H CB -1.031 28.740 29.762 0.014 0.000 1.389 282 H HN 0.639 nan 8.280 nan 0.000 0.511 283 Y N 0.449 120.807 120.300 0.097 0.000 2.224 283 Y HA -0.243 4.307 4.550 -0.000 0.000 0.289 283 Y C 2.406 178.329 175.900 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 0.104 0.000 2.440 284 C HA -0.103 4.357 4.460 -0.000 0.000 0.278 284 C C 2.729 177.721 174.990 0.003 0.000 1.295 284 C CA 1.310 60.368 59.018 0.067 0.000 1.738 284 C CB -1.179 26.632 27.740 0.119 0.000 1.987 284 C HN 0.577 nan 8.230 nan 0.000 0.492 285 R N 1.865 122.322 120.500 -0.071 0.000 2.081 285 R HA -0.090 4.250 4.340 -0.000 0.000 0.235 285 R C 1.494 177.710 176.300 -0.140 0.000 1.131 285 R CA 1.975 57.965 56.100 -0.183 0.000 0.960 285 R CB -0.897 29.295 30.300 -0.179 0.000 0.856 285 R HN 0.399 nan 8.270 nan 0.000 0.436 286 D N -0.209 120.097 120.400 -0.157 0.000 2.264 286 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 286 D C 0.382 176.561 176.300 -0.202 0.000 0.966 286 D CA 0.913 54.808 54.000 -0.175 0.000 0.864 286 D CB -0.009 40.675 40.800 -0.193 0.000 0.933 286 D HN 0.371 nan 8.370 nan 0.000 0.499 287 N N -0.686 117.859 118.700 -0.258 0.000 2.200 287 N HA 0.135 4.875 4.740 -0.000 0.000 0.224 287 N C 0.803 176.280 175.510 -0.055 0.000 1.179 287 N CA 0.300 53.224 53.050 -0.209 0.000 0.877 287 N CB 1.856 40.095 38.487 -0.412 0.000 1.072 287 N HN 0.056 nan 8.380 nan 0.000 0.519 288 G N 1.561 110.385 108.800 0.040 0.000 2.179 288 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.257 288 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.257 288 G C -0.131 174.782 174.900 0.022 0.000 1.010 288 G CA 0.162 45.327 45.100 0.109 0.000 0.736 288 G HN 0.253 nan 8.290 nan 0.000 0.513 289 L N -0.086 121.191 121.223 0.091 0.000 2.307 289 L HA 0.588 4.928 4.340 -0.000 0.000 0.282 289 L C 1.023 177.888 176.870 -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 43.475 42.059 0.074 0.000 1.197 289 L HN 0.038 nan 8.230 nan 0.000 0.431 290 L N 3.652 124.781 121.223 -0.156 0.000 2.371 290 L HA 0.287 4.627 4.340 -0.000 0.000 0.272 290 L C -0.431 176.330 176.870 -0.183 0.000 1.124 290 L CA -0.371 54.357 54.840 -0.187 0.000 0.816 290 L CB 1.187 43.079 42.059 -0.279 0.000 1.129 290 L HN 0.383 nan 8.230 nan 0.000 0.448 291 L N 3.075 124.190 121.223 -0.180 0.000 2.319 291 L HA 0.359 4.699 4.340 -0.000 0.000 0.281 291 L C -0.559 176.105 176.870 -0.344 0.000 1.005 291 L CA -0.229 54.494 54.840 -0.195 0.000 0.828 291 L CB 1.042 43.053 42.059 -0.080 0.000 1.227 291 L HN 0.456 nan 8.230 nan 0.000 0.415 292 H N 5.414 124.164 119.070 -0.535 0.000 2.527 292 H HA 0.586 5.142 4.556 -0.000 0.000 0.321 292 H C -0.904 174.268 175.328 -0.259 0.000 1.087 292 H CA -0.490 55.206 56.048 -0.587 0.000 1.337 292 H CB 0.757 29.940 29.762 -0.965 0.000 1.440 292 H HN 0.517 nan 8.280 nan 0.000 0.490 293 I N 5.513 125.684 120.570 -0.664 0.000 2.404 293 I HA 0.179 4.349 4.170 -0.000 0.000 0.293 293 I C 0.081 175.930 176.117 -0.447 0.000 0.992 293 I CA -0.518 60.542 61.300 -0.400 0.000 1.149 293 I CB 1.246 39.031 38.000 -0.358 0.000 1.315 293 I HN 0.697 nan 8.210 nan 0.000 0.446 294 H N 5.829 124.785 119.070 -0.189 0.000 2.463 294 H HA 0.366 4.922 4.556 -0.000 0.000 0.332 294 H C 0.328 175.636 175.328 -0.033 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 1.611 122.169 120.500 0.098 0.000 2.586 295 R HA 0.458 4.798 4.340 -0.000 0.000 0.306 295 R C 0.234 176.596 176.300 0.103 0.000 1.079 295 R CA -0.571 55.620 56.100 0.152 0.000 1.083 295 R CB 0.152 30.475 30.300 0.039 0.000 1.306 295 R HN 0.337 nan 8.270 nan 0.000 0.567 296 A N 1.659 124.504 122.820 0.041 0.000 2.598 296 A HA 0.040 4.360 4.320 -0.000 0.000 0.239 296 A C 0.923 178.487 177.584 -0.034 0.000 1.032 296 A CA 0.910 52.939 52.037 -0.013 0.000 0.760 296 A CB -0.211 18.726 19.000 -0.106 0.000 0.946 296 A HN 0.870 nan 8.150 nan 0.000 0.512 297 M N 0.613 120.193 119.600 -0.032 0.000 3.019 297 M HA -0.289 4.191 4.480 -0.000 0.000 0.214 297 M C 0.851 177.109 176.300 -0.070 0.000 0.577 297 M CA 1.863 57.115 55.300 -0.080 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 -1.118 117.895 119.070 -0.096 0.000 2.389 298 H HA 0.343 4.899 4.556 -0.000 0.000 0.299 298 H C 1.739 177.029 175.328 -0.064 0.000 1.081 298 H CA 1.616 57.626 56.048 -0.063 0.000 1.345 298 H CB -0.410 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 -0.000 0.000 0.216 299 A C 2.282 179.715 177.584 -0.252 0.000 1.154 299 A CA 1.019 52.718 52.037 -0.565 0.000 0.701 299 A CB -0.649 18.005 19.000 -0.578 0.000 0.789 299 A HN 0.374 nan 8.150 nan 0.000 0.465 300 V N -0.621 119.178 119.914 -0.192 0.000 2.809 300 V HA -0.127 3.993 4.120 -0.000 0.000 0.256 300 V C 2.023 178.069 176.094 -0.079 0.000 1.080 300 V CA 1.719 63.950 62.300 -0.116 0.000 1.102 300 V CB -0.391 31.372 31.823 -0.101 0.000 0.705 300 V HN 0.620 nan 8.190 nan 0.000 0.475 301 I N 0.368 120.890 120.570 -0.080 0.000 3.616 301 I HA 0.042 4.212 4.170 -0.000 0.000 0.296 301 I C 1.569 177.675 176.117 -0.019 0.000 1.226 301 I CA 0.779 62.048 61.300 -0.050 0.000 1.394 301 I CB 0.145 38.102 38.000 -0.071 0.000 1.171 301 I HN 0.421 nan 8.210 nan 0.000 0.442 302 D N -0.278 120.105 120.400 -0.027 0.000 2.395 302 D HA -0.025 4.615 4.640 -0.000 0.000 0.213 302 D C 1.786 178.076 176.300 -0.016 0.000 1.110 302 D CA -0.055 53.941 54.000 -0.007 0.000 0.835 302 D CB 0.079 40.893 40.800 0.023 0.000 0.965 302 D HN -0.062 nan 8.370 nan 0.000 0.505 303 R N 0.265 120.744 120.500 -0.034 0.000 2.057 303 R HA 0.029 4.369 4.340 -0.000 0.000 0.229 303 R C 0.465 176.785 176.300 0.034 0.000 1.136 303 R CA 1.131 57.219 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 4.361 4.340 -0.000 0.000 0.251 304 Q C 0.121 176.187 176.000 0.110 0.000 0.930 304 Q CA 0.204 56.052 55.803 0.076 0.000 0.893 304 Q CB 1.445 30.229 28.738 0.077 0.000 1.215 304 Q HN 0.204 nan 8.270 nan 0.000 0.425 305 K N 2.162 122.626 120.400 0.108 0.000 2.366 305 K HA -0.088 4.232 4.320 -0.000 0.000 0.198 305 K C 1.017 177.685 176.600 0.114 0.000 1.044 305 K CA 0.981 57.340 56.287 0.121 0.000 0.973 305 K CB 0.399 32.961 32.500 0.104 0.000 0.767 305 K HN 0.543 nan 8.250 nan 0.000 0.475 306 N N -1.063 117.707 118.700 0.118 0.000 2.356 306 N HA -0.080 4.660 4.740 -0.000 0.000 0.178 306 N C -0.390 175.232 175.510 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 38.713 38.487 0.104 0.000 0.999 306 N HN 0.166 nan 8.380 nan 0.000 0.464 307 H N -1.228 117.904 119.070 0.104 0.000 2.954 307 H HA 0.578 5.134 4.556 -0.000 0.000 0.361 307 H C 0.048 175.477 175.328 0.168 0.000 1.122 307 H CA 0.406 56.546 56.048 0.155 0.000 1.217 307 H CB 1.610 31.449 29.762 0.128 0.000 1.776 307 H HN 0.326 nan 8.280 nan 0.000 0.533 308 G N 2.344 111.181 108.800 0.062 0.000 2.255 308 G HA2 0.018 3.978 3.960 -0.000 0.000 0.216 308 G HA3 0.018 3.978 3.960 -0.000 0.000 0.216 308 G C -1.528 173.418 174.900 0.077 0.000 1.307 308 G CA -0.414 44.730 45.100 0.075 0.000 1.162 308 G HN 0.639 nan 8.290 nan 0.000 0.494 309 M N 0.681 120.289 119.600 0.013 0.000 2.378 309 M HA 0.374 4.854 4.480 -0.000 0.000 0.289 309 M C -0.344 175.995 176.300 0.065 0.000 1.136 309 M CA -0.806 54.499 55.300 0.008 0.000 0.917 309 M CB 2.427 34.946 32.600 -0.135 0.000 1.669 309 M HN 0.775 nan 8.290 nan 0.000 0.461 310 H N 1.624 120.714 119.070 0.032 0.000 2.679 310 H HA 0.103 4.659 4.556 -0.000 0.000 0.369 310 H C 0.105 175.496 175.328 0.105 0.000 1.178 310 H CA 0.635 56.741 56.048 0.096 0.000 1.419 310 H CB 0.937 30.760 29.762 0.102 0.000 1.458 310 H HN 0.766 nan 8.280 nan 0.000 0.605 311 F N 3.972 123.629 119.950 -0.487 0.000 2.202 311 F HA -0.185 4.342 4.527 -0.000 0.000 0.301 311 F C 2.620 178.333 175.800 -0.144 0.000 1.082 311 F CA 1.594 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 0.658 nan 8.300 nan 0.000 0.495 312 R N -0.511 120.060 120.500 0.118 0.000 2.152 312 R HA -0.105 4.235 4.340 -0.000 0.000 0.232 312 R C 1.735 178.011 176.300 -0.041 0.000 1.117 312 R CA 1.805 57.931 56.100 0.043 0.000 0.981 312 R CB -1.349 29.162 30.300 0.351 0.000 0.870 312 R HN 0.291 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 3.996 4.120 -0.000 0.000 0.247 313 V C 2.354 178.469 176.094 0.036 0.000 1.048 313 V CA 1.342 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 -0.000 0.000 0.211 314 L C 2.599 179.371 176.870 -0.164 0.000 1.107 314 L CA 1.156 56.002 54.840 0.010 0.000 0.783 314 L CB -0.668 41.400 42.059 0.014 0.000 0.919 314 L HN 0.346 nan 8.230 nan 0.000 0.442 315 A N 0.120 122.590 122.820 -0.583 0.000 1.930 315 A HA -0.133 4.187 4.320 -0.000 0.000 0.215 315 A C 2.339 179.812 177.584 -0.185 0.000 1.176 315 A CA 1.090 52.813 52.037 -0.523 0.000 0.632 315 A CB -0.160 18.435 19.000 -0.676 0.000 0.819 315 A HN 0.243 nan 8.150 nan 0.000 0.445 316 K N -0.154 120.214 120.400 -0.054 0.000 2.057 316 K HA -0.045 4.275 4.320 -0.000 0.000 0.206 316 K C 2.291 178.899 176.600 0.014 0.000 1.050 316 K CA 1.078 57.434 56.287 0.115 0.000 0.935 316 K CB -0.316 32.289 32.500 0.176 0.000 0.715 316 K HN 0.413 nan 8.250 nan 0.000 0.439 317 A N 1.829 124.634 122.820 -0.025 0.000 1.978 317 A HA -0.163 4.157 4.320 -0.000 0.000 0.220 317 A C 2.024 179.566 177.584 -0.069 0.000 1.170 317 A CA 1.117 53.065 52.037 -0.148 0.000 0.636 317 A CB -0.502 18.431 19.000 -0.112 0.000 0.810 317 A HN 0.251 nan 8.150 nan 0.000 0.448 318 L N -0.490 120.733 121.223 -0.001 0.000 2.072 318 L HA -0.053 4.287 4.340 -0.000 0.000 0.205 318 L C 2.413 179.168 176.870 -0.192 0.000 1.079 318 L CA 2.137 56.892 54.840 -0.143 0.000 0.752 318 L CB -0.844 40.945 42.059 -0.449 0.000 0.906 318 L HN 0.537 nan 8.230 nan 0.000 0.436 319 R N -0.382 119.986 120.500 -0.219 0.000 2.120 319 R HA -0.150 4.190 4.340 -0.000 0.000 0.234 319 R C 2.316 178.482 176.300 -0.223 0.000 1.123 319 R CA 1.218 57.147 56.100 -0.285 0.000 0.975 319 R CB -0.026 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 -0.827 120.259 121.223 -0.229 0.000 2.049 320 L HA -0.088 4.252 4.340 -0.000 0.000 0.203 320 L C 2.599 179.368 176.870 -0.169 0.000 1.074 320 L CA 1.314 55.927 54.840 -0.379 0.000 0.749 320 L CB -0.628 40.867 42.059 -0.940 0.000 0.907 320 L HN 0.232 nan 8.230 nan 0.000 0.439 321 S N -0.730 114.905 115.700 -0.108 0.000 2.356 321 S HA 0.004 4.474 4.470 -0.000 0.000 0.223 321 S C 0.841 175.474 174.600 0.055 0.000 1.032 321 S CA 1.141 59.381 58.200 0.066 0.000 1.005 321 S CB -0.255 63.038 63.200 0.156 0.000 0.867 321 S HN 0.612 nan 8.310 nan 0.000 0.449 322 G N -1.628 107.161 108.800 -0.020 0.000 2.957 322 G HA2 0.439 4.399 3.960 -0.000 0.000 0.636 322 G HA3 0.439 4.399 3.960 -0.000 0.000 0.636 322 G C -0.337 174.514 174.900 -0.082 0.000 1.401 322 G CA -0.433 44.646 45.100 -0.036 0.000 0.941 322 G HN 1.100 nan 8.290 nan 0.000 0.610 323 G N 0.469 109.202 108.800 -0.111 0.000 2.596 323 G HA2 0.586 4.546 3.960 -0.000 0.000 0.296 323 G HA3 0.586 4.546 3.960 -0.000 0.000 0.296 323 G C -0.213 174.617 174.900 -0.117 0.000 1.513 323 G CA 0.179 45.196 45.100 -0.138 0.000 0.851 323 G HN 0.367 nan 8.290 nan 0.000 0.548 324 D N -0.402 119.931 120.400 -0.111 0.000 2.301 324 D HA 0.100 4.740 4.640 -0.000 0.000 0.206 324 D C 0.359 176.712 176.300 0.089 0.000 0.979 324 D CA 0.992 54.971 54.000 -0.035 0.000 0.874 324 D CB 0.423 41.194 40.800 -0.048 0.000 0.968 324 D HN 0.554 nan 8.370 nan 0.000 0.510 325 H N -0.752 118.193 119.070 -0.209 0.000 2.821 325 H HA 0.613 5.169 4.556 -0.000 0.000 0.373 325 H C -0.854 174.275 175.328 -0.332 0.000 1.165 325 H CA -0.816 55.090 56.048 -0.237 0.000 1.154 325 H CB 3.154 32.770 29.762 -0.242 0.000 1.765 325 H HN -0.148 nan 8.280 nan 0.000 0.549 326 I N 1.521 122.008 120.570 -0.138 0.000 2.644 326 I HA 0.136 4.306 4.170 -0.000 0.000 0.291 326 I C -0.684 175.389 176.117 -0.073 0.000 1.180 326 I CA -0.525 60.678 61.300 -0.161 0.000 1.040 326 I CB 1.837 39.757 38.000 -0.133 0.000 1.255 326 I HN 0.684 nan 8.210 nan 0.000 0.422 327 H N 5.050 123.980 119.070 -0.233 0.000 2.964 327 H HA 0.098 4.654 4.556 -0.000 0.000 0.328 327 H C 0.468 175.707 175.328 -0.149 0.000 1.030 327 H CA 0.811 56.744 56.048 -0.191 0.000 1.445 327 H CB 1.001 30.648 29.762 -0.193 0.000 1.449 327 H HN 0.647 nan 8.280 nan 0.000 0.581 328 S N 1.907 117.560 115.700 -0.078 0.000 2.847 328 S HA 0.330 4.800 4.470 -0.000 0.000 0.254 328 S C 0.753 175.415 174.600 0.104 0.000 1.039 328 S CA 0.057 58.306 58.200 0.082 0.000 1.113 328 S CB 0.961 64.355 63.200 0.324 0.000 1.092 328 S HN 1.085 nan 8.310 nan 0.000 0.620 329 G N 1.222 109.995 108.800 -0.044 0.000 2.661 329 G HA2 -0.037 3.923 3.960 -0.000 0.000 0.685 329 G HA3 -0.037 3.923 3.960 -0.000 0.000 0.685 329 G C 0.230 175.149 174.900 0.032 0.000 1.298 329 G CA 0.190 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 -3.322 111.250 114.554 0.030 0.000 2.959 330 T HA 0.491 4.841 4.350 -0.000 0.000 0.254 330 T C 1.770 176.521 174.700 0.085 0.000 1.003 330 T CA 1.313 63.443 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 3.785 4.120 -0.000 0.000 0.092 331 V C 2.052 178.151 176.094 0.009 0.000 2.107 331 V CA 2.143 64.458 62.300 0.025 0.000 3.514 331 V CB -1.828 29.987 31.823 -0.013 0.000 0.805 331 V HN 0.770 nan 8.190 nan 0.000 0.840 332 V N -0.675 119.219 119.914 -0.034 0.000 3.623 332 V HA 0.620 4.740 4.120 -0.000 0.000 0.271 332 V C 1.173 177.197 176.094 -0.115 0.000 1.248 332 V CA 1.574 63.841 62.300 -0.055 0.000 1.156 332 V CB -0.225 31.533 31.823 -0.109 0.000 0.870 332 V HN 0.951 nan 8.190 nan 0.000 0.453 333 G N 1.237 109.933 108.800 -0.173 0.000 2.695 333 G HA2 0.286 4.246 3.960 -0.000 0.000 0.213 333 G HA3 0.286 4.246 3.960 -0.000 0.000 0.213 333 G C 0.696 175.336 174.900 -0.433 0.000 1.406 333 G CA -0.019 44.906 45.100 -0.292 0.000 1.049 333 G HN 0.471 nan 8.290 nan 0.000 0.573 334 K N -1.096 118.824 120.400 -0.800 0.000 2.432 334 K HA 0.179 4.499 4.320 -0.000 0.000 0.196 334 K C 0.167 176.583 176.600 -0.308 0.000 1.038 334 K CA 0.385 56.191 56.287 -0.800 0.000 0.986 334 K CB -0.215 31.765 32.500 -0.866 0.000 0.782 334 K HN 0.211 nan 8.250 nan 0.000 0.485 335 L N 1.663 122.764 121.223 -0.203 0.000 2.342 335 L HA 0.323 4.663 4.340 -0.000 0.000 0.271 335 L C -0.121 176.719 176.870 -0.050 0.000 1.008 335 L CA -1.170 53.604 54.840 -0.110 0.000 0.818 335 L CB 1.942 43.955 42.059 -0.076 0.000 1.296 335 L HN 0.109 nan 8.230 nan 0.000 0.427 336 E N 0.929 121.111 120.200 -0.030 0.000 2.437 336 E HA 0.347 4.697 4.350 -0.000 0.000 0.263 336 E C -0.227 176.403 176.600 0.050 0.000 1.030 336 E CA 0.410 56.819 56.400 0.015 0.000 0.934 336 E CB 0.603 30.310 29.700 0.012 0.000 0.943 336 E HN 0.758 nan 8.360 nan 0.000 0.444 337 G N 3.904 112.749 108.800 0.075 0.000 1.882 337 G HA2 0.005 3.965 3.960 -0.000 0.000 0.256 337 G HA3 0.005 3.965 3.960 -0.000 0.000 0.256 337 G C -1.159 173.790 174.900 0.081 0.000 2.065 337 G CA -0.780 44.382 45.100 0.105 0.000 0.882 337 G HN 0.391 nan 8.290 nan 0.000 0.574 338 E N 1.595 121.849 120.200 0.091 0.000 2.354 338 E HA 0.183 4.533 4.350 -0.000 0.000 0.269 338 E C 1.368 177.968 176.600 0.001 0.000 1.036 338 E CA -0.603 55.830 56.400 0.055 0.000 0.876 338 E CB 1.997 31.741 29.700 0.074 0.000 1.009 338 E HN 0.624 nan 8.360 nan 0.000 0.416 339 R N 2.147 122.631 120.500 -0.027 0.000 2.080 339 R HA -0.200 4.140 4.340 -0.000 0.000 0.236 339 R C 0.897 177.131 176.300 -0.110 0.000 1.137 339 R CA 1.973 58.022 56.100 -0.086 0.000 0.943 339 R CB 0.089 30.343 30.300 -0.077 0.000 0.846 339 R HN 0.422 nan 8.270 nan 0.000 0.431 340 D N 0.158 120.519 120.400 -0.066 0.000 2.097 340 D HA -0.109 4.531 4.640 -0.000 0.000 0.197 340 D C 1.902 178.158 176.300 -0.073 0.000 0.984 340 D CA 1.145 55.105 54.000 -0.066 0.000 0.826 340 D CB -0.105 40.674 40.800 -0.034 0.000 0.973 340 D HN 0.293 nan 8.370 nan 0.000 0.460 341 I N 0.483 121.035 120.570 -0.030 0.000 2.315 341 I HA -0.228 3.942 4.170 -0.000 0.000 0.248 341 I C 2.112 178.118 176.117 -0.186 0.000 1.117 341 I CA 0.958 62.266 61.300 0.014 0.000 1.404 341 I CB -0.182 37.918 38.000 0.167 0.000 1.071 341 I HN 0.010 nan 8.210 nan 0.000 0.419 342 T N 1.256 115.615 114.554 -0.325 0.000 2.737 342 T HA -0.100 4.250 4.350 -0.000 0.000 0.265 342 T C 1.928 176.228 174.700 -0.667 0.000 1.038 342 T CA 1.149 62.781 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 0.751 121.762 121.223 -0.352 0.000 2.187 343 L HA -0.037 4.303 4.340 -0.000 0.000 0.213 343 L C 2.852 179.626 176.870 -0.161 0.000 1.100 343 L CA 1.090 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 0.940 109.645 108.800 -0.157 0.000 2.414 344 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.215 344 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.215 344 G C 1.284 176.234 174.900 0.085 0.000 1.188 344 G CA 0.849 45.935 45.100 -0.022 0.000 0.783 344 G HN 0.479 nan 8.290 nan 0.000 0.537 345 F N 0.603 120.651 119.950 0.163 0.000 2.558 345 F HA 0.276 4.803 4.527 -0.000 0.000 0.298 345 F C 2.077 177.970 175.800 0.155 0.000 1.119 345 F CA -0.192 57.915 58.000 0.178 0.000 1.451 345 F CB -0.787 38.358 39.000 0.242 0.000 1.091 345 F HN -0.015 nan 8.300 nan 0.000 0.563 346 V N 1.161 121.178 119.914 0.171 0.000 2.427 346 V HA -0.222 3.898 4.120 -0.000 0.000 0.248 346 V C 2.034 178.219 176.094 0.152 0.000 1.051 346 V CA 2.205 64.635 62.300 0.216 0.000 1.048 346 V CB -0.624 31.290 31.823 0.151 0.000 0.666 346 V HN 0.238 nan 8.190 nan 0.000 0.456 347 D N -0.003 120.464 120.400 0.112 0.000 2.144 347 D HA -0.074 4.566 4.640 -0.000 0.000 0.200 347 D C 2.087 178.471 176.300 0.140 0.000 0.978 347 D CA 1.033 55.095 54.000 0.103 0.000 0.833 347 D CB -0.163 40.686 40.800 0.082 0.000 0.961 347 D HN 0.329 nan 8.370 nan 0.000 0.470 348 L N 0.103 121.444 121.223 0.197 0.000 2.201 348 L HA -0.087 4.253 4.340 -0.000 0.000 0.212 348 L C 2.304 179.241 176.870 0.111 0.000 1.105 348 L CA 0.446 55.451 54.840 0.275 0.000 0.775 348 L CB -0.120 42.134 42.059 0.324 0.000 0.913 348 L HN 0.048 nan 8.230 nan 0.000 0.440 349 L N -1.054 120.197 121.223 0.047 0.000 2.162 349 L HA -0.050 4.290 4.340 -0.000 0.000 0.205 349 L C 2.620 179.386 176.870 -0.173 0.000 1.086 349 L CA 0.892 55.670 54.840 -0.104 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 -0.955 119.506 120.500 -0.064 0.000 2.175 350 R HA 0.085 4.425 4.340 -0.000 0.000 0.202 350 R C -0.074 176.199 176.300 -0.044 0.000 1.018 350 R CA 0.088 56.154 56.100 -0.055 0.000 1.029 350 R CB 0.157 30.463 30.300 0.011 0.000 0.959 350 R HN 0.228 nan 8.270 nan 0.000 0.480 351 D N 0.277 120.682 120.400 0.007 0.000 2.388 351 D HA 0.012 4.652 4.640 -0.000 0.000 0.254 351 D C 0.200 176.589 176.300 0.149 0.000 1.111 351 D CA -0.150 53.900 54.000 0.083 0.000 0.993 351 D CB 1.067 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 -1.482 119.052 120.400 0.223 0.000 2.333 352 D HA -0.040 4.600 4.640 -0.000 0.000 0.208 352 D C -0.794 175.788 176.300 0.471 0.000 0.984 352 D CA 0.326 54.525 54.000 0.331 0.000 0.873 352 D CB 0.259 41.194 40.800 0.225 0.000 0.935 352 D HN 0.302 nan 8.370 nan 0.000 0.521 353 Y N -0.644 119.799 120.300 0.237 0.000 2.436 353 Y HA 0.406 4.956 4.550 -0.000 0.000 0.327 353 Y C -1.680 174.311 175.900 0.153 0.000 1.138 353 Y CA -0.745 57.455 58.100 0.167 0.000 1.042 353 Y CB 1.605 40.125 38.460 0.100 0.000 1.302 353 Y HN -0.303 nan 8.280 nan 0.000 0.439 354 T N 5.535 119.875 114.554 -0.357 0.000 2.928 354 T HA 0.263 4.613 4.350 -0.000 0.000 0.296 354 T C -1.120 173.313 174.700 -0.445 0.000 1.000 354 T CA -0.703 61.255 62.100 -0.237 0.000 0.989 354 T CB 1.560 70.426 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 4.629 4.350 -0.000 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 2.396 122.766 120.400 -0.051 0.000 2.550 356 K HA -0.133 4.187 4.320 -0.000 0.000 0.280 356 K C -0.977 175.597 176.600 -0.044 0.000 0.987 356 K CA 0.789 57.060 56.287 -0.026 0.000 1.048 356 K CB 0.300 32.792 32.500 -0.013 0.000 0.879 356 K HN 0.418 nan 8.250 nan 0.000 0.491 357 D N 3.603 123.963 120.400 -0.066 0.000 2.491 357 D HA 0.114 4.754 4.640 -0.000 0.000 0.232 357 D C 0.223 176.453 176.300 -0.117 0.000 1.334 357 D CA -0.446 53.510 54.000 -0.072 0.000 0.909 357 D CB 0.439 41.215 40.800 -0.041 0.000 1.513 357 D HN 0.524 nan 8.370 nan 0.000 0.514 358 R N 0.677 121.072 120.500 -0.176 0.000 2.200 358 R HA -0.089 4.251 4.340 -0.000 0.000 0.234 358 R C 1.797 178.001 176.300 -0.160 0.000 1.127 358 R CA 1.219 57.166 56.100 -0.255 0.000 0.989 358 R CB -0.575 29.555 30.300 -0.284 0.000 0.869 358 R HN 0.500 nan 8.270 nan 0.000 0.459 359 S N 0.323 115.965 115.700 -0.098 0.000 2.447 359 S HA -0.063 4.407 4.470 -0.000 0.000 0.233 359 S C 1.608 176.178 174.600 -0.050 0.000 1.006 359 S CA 0.616 58.777 58.200 -0.064 0.000 0.957 359 S CB -0.010 63.163 63.200 -0.045 0.000 0.773 359 S HN 0.307 nan 8.310 nan 0.000 0.507 360 R N 0.280 120.749 120.500 -0.052 0.000 2.432 360 R HA 0.324 4.664 4.340 -0.000 0.000 0.260 360 R C 1.220 177.513 176.300 -0.012 0.000 0.935 360 R CA 0.335 56.418 56.100 -0.028 0.000 1.080 360 R CB 0.336 30.622 30.300 -0.022 0.000 1.155 360 R HN 0.532 nan 8.270 nan 0.000 0.531 361 G N 1.815 110.584 108.800 -0.050 0.000 2.143 361 G HA2 -0.265 3.695 3.960 -0.000 0.000 0.248 361 G HA3 -0.265 3.695 3.960 -0.000 0.000 0.248 361 G C 0.121 175.077 174.900 0.093 0.000 0.991 361 G CA -0.192 44.905 45.100 -0.005 0.000 0.689 361 G HN 0.272 nan 8.290 nan 0.000 0.522 362 I N 1.012 121.591 120.570 0.015 0.000 2.287 362 I HA 0.306 4.476 4.170 -0.000 0.000 0.290 362 I C 1.253 177.381 176.117 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 5.340 125.578 120.300 -0.103 0.000 2.457 363 Y HA 0.134 4.684 4.550 -0.000 0.000 0.292 363 Y C 0.294 175.922 175.900 -0.454 0.000 1.125 363 Y CA 0.433 58.345 58.100 -0.313 0.000 1.254 363 Y CB -0.142 38.000 38.460 -0.529 0.000 1.012 363 Y HN 0.302 nan 8.280 nan 0.000 0.555 364 F N -1.917 118.153 119.950 0.201 0.000 2.599 364 F HA 0.415 4.941 4.527 -0.000 0.000 0.311 364 F C 0.215 176.024 175.800 0.016 0.000 1.076 364 F CA -1.629 56.440 58.000 0.115 0.000 0.937 364 F CB 1.111 40.181 39.000 0.116 0.000 1.282 364 F HN -0.515 nan 8.300 nan 0.000 0.460 365 T N 1.571 116.232 114.554 0.179 0.000 2.851 365 T HA 0.334 4.684 4.350 -0.000 0.000 0.298 365 T C -0.624 174.035 174.700 -0.067 0.000 0.977 365 T CA -0.167 61.919 62.100 -0.023 0.000 1.126 365 T CB 0.846 69.693 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 4.892 4.340 -0.000 0.000 0.268 366 Q C -1.185 174.631 176.000 -0.306 0.000 1.031 366 Q CA -0.392 55.249 55.803 -0.269 0.000 0.804 366 Q CB 1.479 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 2.996 118.523 115.700 -0.288 0.000 2.537 367 S HA 0.465 4.935 4.470 -0.000 0.000 0.301 367 S C -0.757 173.654 174.600 -0.315 0.000 1.092 367 S CA -0.522 57.632 58.200 -0.077 0.000 1.048 367 S CB 0.609 63.864 63.200 0.092 0.000 1.053 367 S HN 0.821 nan 8.310 nan 0.000 0.501 368 W N 0.823 122.175 121.300 0.085 0.000 2.870 368 W HA 0.226 4.886 4.660 0.000 0.000 0.358 368 W C 0.516 177.059 176.519 0.040 0.000 1.043 368 W CA -0.514 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 -0.160 119.880 119.914 0.209 0.000 5.482 369 V HA -0.390 3.730 4.120 -0.000 0.000 0.262 369 V C 0.698 176.875 176.094 0.138 0.000 0.664 369 V CA 0.762 63.146 62.300 0.140 0.000 0.609 369 V CB -2.545 29.335 31.823 0.095 0.000 0.306 369 V HN 0.487 nan 8.190 nan 0.000 0.731 370 S N -2.141 113.651 115.700 0.152 0.000 3.382 370 S HA -0.204 4.266 4.470 -0.000 0.000 0.293 370 S C 0.651 175.305 174.600 0.089 0.000 1.262 370 S CA 1.312 59.576 58.200 0.107 0.000 0.969 370 S CB -1.812 61.430 63.200 0.070 0.000 1.136 370 S HN 1.487 nan 8.310 nan 0.000 0.635 371 T N 3.775 118.408 114.554 0.130 0.000 2.867 371 T HA 0.319 4.669 4.350 -0.000 0.000 0.297 371 T C -1.766 172.920 174.700 -0.023 0.000 0.989 371 T CA -0.486 61.656 62.100 0.069 0.000 1.159 371 T CB 0.367 69.322 68.868 0.145 0.000 0.928 371 T HN 0.104 nan 8.240 nan 0.000 0.538 372 P HA 0.214 nan 4.420 nan 0.000 0.269 372 P C 0.377 177.593 177.300 -0.140 0.000 1.217 372 P CA -0.258 62.804 63.100 -0.064 0.000 0.783 372 P CB 0.376 32.051 31.700 -0.043 0.000 0.898 373 G N 0.199 108.930 108.800 -0.115 0.000 2.476 373 G HA2 0.472 4.432 3.960 -0.000 0.000 0.286 373 G HA3 0.472 4.432 3.960 -0.000 0.000 0.286 373 G C -0.882 173.945 174.900 -0.122 0.000 1.177 373 G CA -0.442 44.563 45.100 -0.158 0.000 0.870 373 G HN 0.353 nan 8.290 nan 0.000 0.528 374 V N 1.543 121.370 119.914 -0.145 0.000 2.472 374 V HA 0.275 4.395 4.120 -0.000 0.000 0.290 374 V C -0.113 175.943 176.094 -0.063 0.000 1.037 374 V CA -0.870 61.369 62.300 -0.102 0.000 0.908 374 V CB 1.554 33.290 31.823 -0.145 0.000 0.985 374 V HN 0.538 nan 8.190 nan 0.000 0.454 375 L N 8.418 129.615 121.223 -0.043 0.000 2.313 375 L HA 0.439 4.779 4.340 -0.000 0.000 0.282 375 L C -2.026 174.763 176.870 -0.134 0.000 1.092 375 L CA -1.591 53.195 54.840 -0.089 0.000 0.831 375 L CB 0.949 42.921 42.059 -0.145 0.000 1.159 375 L HN 0.450 nan 8.230 nan 0.000 0.442 376 P HA 0.147 nan 4.420 nan 0.000 0.279 376 P C -1.133 175.975 177.300 -0.320 0.000 1.239 376 P CA -0.270 62.742 63.100 -0.147 0.000 0.789 376 P CB 1.371 33.043 31.700 -0.048 0.000 0.933 377 V N 2.829 122.530 119.914 -0.354 0.000 2.357 377 V HA 0.486 4.606 4.120 -0.000 0.000 0.284 377 V C 0.517 176.264 176.094 -0.578 0.000 1.018 377 V CA -0.835 61.185 62.300 -0.467 0.000 0.841 377 V CB 1.145 32.700 31.823 -0.448 0.000 0.991 377 V HN 0.681 nan 8.190 nan 0.000 0.437 378 A N 3.952 126.398 122.820 -0.622 0.000 2.269 378 A HA 0.786 5.106 4.320 -0.000 0.000 0.302 378 A C 0.134 177.435 177.584 -0.472 0.000 1.266 378 A CA -0.156 51.547 52.037 -0.555 0.000 0.894 378 A CB 0.808 19.443 19.000 -0.609 0.000 1.147 378 A HN 0.921 nan 8.150 nan 0.000 0.537 379 S N 1.826 117.300 115.700 -0.377 0.000 2.543 379 S HA 0.722 5.192 4.470 -0.000 0.000 0.271 379 S C -0.498 173.994 174.600 -0.179 0.000 1.148 379 S CA 0.389 58.406 58.200 -0.306 0.000 0.914 379 S CB 1.226 64.269 63.200 -0.262 0.000 1.096 379 S HN 2.534 nan 8.310 nan 0.000 0.471 380 G N 1.748 110.440 108.800 -0.180 0.000 2.421 380 G HA2 0.458 4.418 3.960 -0.000 0.000 0.360 380 G HA3 0.458 4.418 3.960 -0.000 0.000 0.360 380 G C 0.840 175.599 174.900 -0.236 0.000 1.219 380 G CA 0.349 45.357 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 3.904 3.960 -0.000 0.000 0.244 381 G HA3 -0.056 3.904 3.960 -0.000 0.000 0.244 381 G C 0.576 175.458 174.900 -0.030 0.000 1.005 381 G CA 0.820 45.795 45.100 -0.208 0.000 0.713 381 G HN 2.171 nan 8.290 nan 0.000 0.515 382 I N -1.841 118.710 120.570 -0.032 0.000 2.676 382 I HA 0.955 5.125 4.170 -0.000 0.000 0.309 382 I C 0.248 176.585 176.117 0.366 0.000 0.990 382 I CA -1.324 60.034 61.300 0.097 0.000 1.168 382 I CB 1.576 39.503 38.000 -0.123 0.000 1.343 382 I HN 0.339 nan 8.210 nan 0.000 0.482 383 H N 0.927 120.319 119.070 0.536 0.000 2.942 383 H HA 0.429 4.984 4.556 -0.000 0.000 0.316 383 H C 0.655 176.033 175.328 0.084 0.000 1.323 383 H CA -0.478 55.619 56.048 0.081 0.000 1.144 383 H CB 0.694 30.245 29.762 -0.351 0.000 1.866 383 H HN 0.379 nan 8.280 nan 0.000 0.545 384 V N -2.763 117.191 119.914 0.067 0.000 2.363 384 V HA -0.306 3.814 4.120 -0.000 0.000 0.254 384 V C 1.297 177.342 176.094 -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 -0.442 120.954 121.300 0.159 0.000 2.525 385 W HA 0.055 4.715 4.660 0.000 0.000 0.259 385 W C 2.576 179.053 176.519 -0.070 0.000 1.253 385 W CA 0.980 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 -0.908 118.235 119.070 0.122 0.000 2.551 386 H HA 0.023 4.579 4.556 -0.000 0.000 0.266 386 H C 1.896 177.293 175.328 0.116 0.000 0.964 386 H CA 0.814 56.904 56.048 0.071 0.000 1.180 386 H CB -0.262 29.488 29.762 -0.020 0.000 1.408 386 H HN 0.154 nan 8.280 nan 0.000 0.563 387 M N 1.376 121.112 119.600 0.227 0.000 2.106 387 M HA -0.091 4.389 4.480 -0.000 0.000 0.259 387 M C -0.919 175.471 176.300 0.149 0.000 1.068 387 M CA 1.693 57.099 55.300 0.177 0.000 1.100 387 M CB -0.842 31.803 32.600 0.075 0.000 1.351 387 M HN 0.080 nan 8.290 nan 0.000 0.404 388 P HA -0.015 nan 4.420 nan 0.000 0.217 388 P C 1.052 178.419 177.300 0.111 0.000 1.151 388 P CA 1.928 65.097 63.100 0.114 0.000 0.828 388 P CB -0.234 31.535 31.700 0.115 0.000 0.788 389 A N -0.565 122.334 122.820 0.131 0.000 1.898 389 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 389 A C 2.166 179.803 177.584 0.087 0.000 1.181 389 A CA 1.356 53.452 52.037 0.099 0.000 0.620 389 A CB -1.634 17.437 19.000 0.119 0.000 0.819 389 A HN 0.094 nan 8.150 nan 0.000 0.442 390 L N -0.762 120.548 121.223 0.145 0.000 2.017 390 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 390 L C 2.737 179.734 176.870 0.211 0.000 1.073 390 L CA 1.796 56.764 54.840 0.213 0.000 0.745 390 L CB -0.933 41.257 42.059 0.218 0.000 0.894 390 L HN 0.327 nan 8.230 nan 0.000 0.432 391 T N -1.203 113.443 114.554 0.153 0.000 2.833 391 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 391 T C 1.795 176.548 174.700 0.088 0.000 1.054 391 T CA 1.151 63.326 62.100 0.126 0.000 1.135 391 T CB -0.086 68.842 68.868 0.100 0.000 0.869 391 T HN 0.337 nan 8.240 nan 0.000 0.466 392 E N 0.771 121.006 120.200 0.057 0.000 2.076 392 E HA -0.020 4.330 4.350 -0.000 0.000 0.190 392 E C 2.179 178.749 176.600 -0.050 0.000 0.979 392 E CA 0.662 57.070 56.400 0.013 0.000 0.807 392 E CB -0.087 29.621 29.700 0.014 0.000 0.761 392 E HN 0.480 nan 8.360 nan 0.000 0.454 393 I N -0.018 120.479 120.570 -0.123 0.000 2.233 393 I HA -0.220 3.950 4.170 -0.000 0.000 0.243 393 I C 1.965 177.818 176.117 -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 0.000 0.000 0.292 394 F C 1.577 177.375 175.800 -0.004 0.000 1.096 394 F CA 0.682 58.673 58.000 -0.016 0.000 1.438 394 F CB -0.735 38.250 39.000 -0.026 0.000 1.107 394 F HN 0.146 nan 8.300 nan 0.000 0.546 395 G N 0.524 109.420 108.800 0.159 0.000 2.725 395 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.220 395 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.220 395 G C 0.115 175.078 174.900 0.106 0.000 1.357 395 G CA -0.107 45.056 45.100 0.105 0.000 0.866 395 G HN 0.094 nan 8.290 nan 0.000 0.548 396 D N 0.385 120.833 120.400 0.079 0.000 2.144 396 D HA 0.005 4.645 4.640 -0.000 0.000 0.199 396 D C 0.948 177.282 176.300 0.057 0.000 0.984 396 D CA 1.484 55.524 54.000 0.067 0.000 0.834 396 D CB -0.097 40.742 40.800 0.065 0.000 0.955 396 D HN 0.404 nan 8.370 nan 0.000 0.465 397 D N 0.692 121.128 120.400 0.060 0.000 2.558 397 D HA 0.180 4.820 4.640 -0.000 0.000 0.221 397 D C -0.006 176.301 176.300 0.012 0.000 1.143 397 D CA 0.072 54.094 54.000 0.037 0.000 1.010 397 D CB 0.026 40.851 40.800 0.041 0.000 1.068 397 D HN 0.030 nan 8.370 nan 0.000 0.511 398 S N -1.224 114.458 115.700 -0.030 0.000 2.611 398 S HA 0.594 5.064 4.470 -0.000 0.000 0.268 398 S C -1.019 173.494 174.600 -0.145 0.000 1.156 398 S CA -0.917 57.208 58.200 -0.125 0.000 0.817 398 S CB 1.734 64.847 63.200 -0.145 0.000 1.122 398 S HN -0.070 nan 8.310 nan 0.000 0.466 399 V N 1.678 121.453 119.914 -0.231 0.000 2.444 399 V HA 0.491 4.611 4.120 -0.000 0.000 0.294 399 V C -0.858 175.102 176.094 -0.223 0.000 1.022 399 V CA -0.598 61.607 62.300 -0.159 0.000 0.850 399 V CB 1.212 32.928 31.823 -0.178 0.000 0.992 399 V HN 0.809 nan 8.190 nan 0.000 0.426 400 L N 5.135 126.266 121.223 -0.154 0.000 2.272 400 L HA 0.590 4.930 4.340 -0.000 0.000 0.289 400 L C -0.167 176.491 176.870 -0.354 0.000 1.032 400 L CA -0.334 54.337 54.840 -0.283 0.000 0.810 400 L CB 1.369 43.362 42.059 -0.110 0.000 1.205 400 L HN 0.613 nan 8.230 nan 0.000 0.422 401 Q N 3.195 122.662 119.800 -0.556 0.000 2.316 401 Q HA 0.555 4.895 4.340 -0.000 0.000 0.264 401 Q C -1.502 174.101 176.000 -0.661 0.000 0.987 401 Q CA -0.432 55.117 55.803 -0.422 0.000 0.852 401 Q CB 2.438 31.045 28.738 -0.219 0.000 1.287 401 Q HN 0.399 nan 8.270 nan 0.000 0.448 402 F N 0.906 120.824 119.950 -0.052 0.000 2.532 402 F HA 0.367 4.894 4.527 -0.000 0.000 0.365 402 F C 0.851 176.624 175.800 -0.045 0.000 1.112 402 F CA -0.686 57.279 58.000 -0.058 0.000 1.082 402 F CB 1.305 40.268 39.000 -0.062 0.000 1.319 402 F HN 0.747 nan 8.300 nan 0.000 0.457 403 G N 1.558 110.402 108.800 0.073 0.000 2.572 403 G HA2 0.045 4.005 3.960 -0.000 0.000 0.214 403 G HA3 0.045 4.005 3.960 -0.000 0.000 0.214 403 G C 1.753 176.696 174.900 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 -0.000 0.000 0.219 404 G HA3 0.094 4.054 3.960 -0.000 0.000 0.219 404 G C 1.664 176.600 174.900 0.060 0.000 1.135 404 G CA 1.283 46.430 45.100 0.079 0.000 0.767 404 G HN 0.668 nan 8.290 nan 0.000 0.550 405 G N -0.666 108.115 108.800 -0.031 0.000 2.708 405 G HA2 0.129 4.089 3.960 -0.000 0.000 0.210 405 G HA3 0.129 4.089 3.960 -0.000 0.000 0.210 405 G C 1.393 176.308 174.900 0.024 0.000 1.141 405 G CA 1.563 46.535 45.100 -0.214 0.000 0.788 405 G HN 0.413 nan 8.290 nan 0.000 0.531 406 T N 0.013 114.643 114.554 0.127 0.000 3.138 406 T HA 0.098 4.448 4.350 -0.000 0.000 0.245 406 T C 1.923 176.721 174.700 0.163 0.000 0.982 406 T CA -0.178 62.000 62.100 0.130 0.000 1.134 406 T CB -0.011 68.902 68.868 0.075 0.000 1.032 406 T HN 0.057 nan 8.240 nan 0.000 0.442 407 L N 1.652 122.955 121.223 0.133 0.000 2.622 407 L HA 0.265 4.605 4.340 -0.000 0.000 0.233 407 L C 2.193 179.173 176.870 0.182 0.000 1.156 407 L CA 0.825 55.738 54.840 0.121 0.000 0.866 407 L CB -0.225 41.875 42.059 0.068 0.000 0.980 407 L HN 0.367 nan 8.230 nan 0.000 0.448 408 G N -3.032 105.943 108.800 0.292 0.000 3.126 408 G HA2 -0.068 3.892 3.960 -0.000 0.000 0.224 408 G HA3 -0.068 3.892 3.960 -0.000 0.000 0.224 408 G C 0.528 175.637 174.900 0.349 0.000 1.142 408 G CA -0.290 45.030 45.100 0.368 0.000 0.759 408 G HN 0.273 nan 8.290 nan 0.000 0.550 409 H N 2.034 121.242 119.070 0.230 0.000 2.815 409 H HA 0.092 4.648 4.556 -0.000 0.000 0.350 409 H C -1.045 174.253 175.328 -0.050 0.000 1.080 409 H CA -1.168 54.889 56.048 0.016 0.000 1.433 409 H CB 2.011 31.783 29.762 0.016 0.000 1.432 409 H HN 0.005 nan 8.280 nan 0.000 0.592 410 P HA -0.141 nan 4.420 nan 0.000 0.219 410 P C 0.696 178.259 177.300 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 0.693 109.640 108.800 0.245 0.000 2.483 412 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.521 412 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.521 412 G C 0.620 175.530 174.900 0.017 0.000 1.278 412 G CA -0.203 44.961 45.100 0.107 0.000 0.965 412 G HN -0.041 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 4.780 4.740 -0.000 0.000 0.188 413 N C 2.745 178.196 175.510 -0.099 0.000 1.029 413 N CA 2.562 55.585 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 4.251 4.320 -0.000 0.000 0.217 414 A C -0.181 177.321 177.584 -0.137 0.000 1.191 414 A CA 1.542 53.505 52.037 -0.124 0.000 0.623 414 A CB -1.602 17.330 19.000 -0.114 0.000 0.826 414 A HN 0.228 nan 8.150 nan 0.000 0.444 415 P HA -0.051 nan 4.420 nan 0.000 0.218 415 P C 1.626 178.589 177.300 -0.561 0.000 1.149 415 P CA 1.547 64.484 63.100 -0.271 0.000 0.817 415 P CB -0.277 31.323 31.700 -0.165 0.000 0.785 416 G N 0.044 108.525 108.800 -0.531 0.000 2.408 416 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.217 416 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.217 416 G C 1.587 176.395 174.900 -0.154 0.000 1.150 416 G CA 0.837 45.742 45.100 -0.324 0.000 0.776 416 G HN 0.299 nan 8.290 nan 0.000 0.542 417 A N 0.217 122.952 122.820 -0.141 0.000 1.897 417 A HA 0.144 4.464 4.320 -0.000 0.000 0.215 417 A C 2.574 180.089 177.584 -0.115 0.000 1.181 417 A CA 1.588 53.562 52.037 -0.106 0.000 0.620 417 A CB -0.615 18.332 19.000 -0.089 0.000 0.821 417 A HN 0.221 nan 8.150 nan 0.000 0.443 418 V N 0.198 120.040 119.914 -0.120 0.000 2.332 418 V HA -0.304 3.816 4.120 -0.000 0.000 0.248 418 V C 3.050 179.076 176.094 -0.114 0.000 1.055 418 V CA 1.985 64.230 62.300 -0.092 0.000 1.038 418 V CB -1.345 30.436 31.823 -0.070 0.000 0.651 418 V HN 0.621 nan 8.190 nan 0.000 0.450 419 A N 0.631 123.362 122.820 -0.148 0.000 1.865 419 A HA -0.317 4.003 4.320 -0.000 0.000 0.217 419 A C 2.037 179.508 177.584 -0.190 0.000 1.191 419 A CA 2.603 54.548 52.037 -0.153 0.000 0.623 419 A CB -0.909 18.056 19.000 -0.058 0.000 0.826 419 A HN 0.691 nan 8.150 nan 0.000 0.444 420 N N -1.276 117.289 118.700 -0.225 0.000 2.188 420 N HA -0.144 4.595 4.740 -0.000 0.000 0.184 420 N C 1.926 177.321 175.510 -0.192 0.000 1.018 420 N CA 1.338 54.187 53.050 -0.335 0.000 0.858 420 N CB -0.146 38.034 38.487 -0.511 0.000 0.989 420 N HN 0.442 nan 8.380 nan 0.000 0.426 421 R N 1.034 121.464 120.500 -0.117 0.000 2.075 421 R HA 0.023 4.363 4.340 -0.000 0.000 0.232 421 R C 1.671 177.955 176.300 -0.026 0.000 1.126 421 R CA 0.992 57.059 56.100 -0.054 0.000 0.963 421 R CB -0.667 29.610 30.300 -0.038 0.000 0.858 421 R HN 0.029 nan 8.270 nan 0.000 0.435 422 V N 0.721 120.613 119.914 -0.037 0.000 2.307 422 V HA -0.143 3.977 4.120 -0.000 0.000 0.245 422 V C 2.324 178.399 176.094 -0.031 0.000 1.045 422 V CA 1.815 64.121 62.300 0.011 0.000 1.024 422 V CB -0.855 30.937 31.823 -0.053 0.000 0.651 422 V HN 0.528 nan 8.190 nan 0.000 0.449 423 A N -0.203 122.545 122.820 -0.120 0.000 1.908 423 A HA -0.240 4.080 4.320 -0.000 0.000 0.218 423 A C 2.179 179.735 177.584 -0.045 0.000 1.181 423 A CA 2.331 54.291 52.037 -0.128 0.000 0.627 423 A CB -0.580 18.301 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 -0.000 0.000 0.206 424 L C 2.220 179.116 176.870 0.042 0.000 1.074 424 L CA 2.314 57.167 54.840 0.023 0.000 0.745 424 L CB -0.534 41.545 42.059 0.034 0.000 0.898 424 L HN 0.491 nan 8.230 nan 0.000 0.433 425 E N -0.366 119.862 120.200 0.048 0.000 2.204 425 E HA -0.199 4.151 4.350 -0.000 0.000 0.195 425 E C 2.122 178.773 176.600 0.085 0.000 0.990 425 E CA 0.903 57.342 56.400 0.065 0.000 0.821 425 E CB -0.233 29.510 29.700 0.071 0.000 0.750 425 E HN 0.675 nan 8.360 nan 0.000 0.477 426 A N 0.768 123.650 122.820 0.103 0.000 1.902 426 A HA -0.186 4.134 4.320 -0.000 0.000 0.217 426 A C 2.410 180.044 177.584 0.083 0.000 1.181 426 A CA 1.136 53.247 52.037 0.123 0.000 0.623 426 A CB -0.738 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 -1.430 117.908 119.300 0.062 0.000 2.440 427 C HA -0.016 4.444 4.460 -0.000 0.000 0.278 427 C C 2.725 177.751 174.990 0.059 0.000 1.295 427 C CA 0.858 59.912 59.018 0.061 0.000 1.738 427 C CB -1.195 26.581 27.740 0.061 0.000 1.987 427 C HN 0.445 nan 8.230 nan 0.000 0.492 428 V N 0.636 120.585 119.914 0.058 0.000 2.295 428 V HA -0.280 3.840 4.120 -0.000 0.000 0.246 428 V C 2.569 178.692 176.094 0.048 0.000 1.049 428 V CA 2.236 64.568 62.300 0.053 0.000 1.024 428 V CB -0.856 30.998 31.823 0.051 0.000 0.648 428 V HN 0.622 nan 8.190 nan 0.000 0.447 429 Q N -0.178 119.652 119.800 0.050 0.000 2.061 429 Q HA -0.243 4.097 4.340 -0.000 0.000 0.204 429 Q C 2.264 178.289 176.000 0.043 0.000 0.984 429 Q CA 2.223 58.051 55.803 0.043 0.000 0.846 429 Q CB -0.312 28.453 28.738 0.044 0.000 0.902 429 Q HN 0.622 nan 8.270 nan 0.000 0.421 430 A N 1.508 124.360 122.820 0.052 0.000 1.865 430 A HA -0.257 4.063 4.320 -0.000 0.000 0.217 430 A C 2.162 179.772 177.584 0.043 0.000 1.191 430 A CA 1.745 53.812 52.037 0.050 0.000 0.623 430 A CB -0.847 18.188 19.000 0.058 0.000 0.826 430 A HN 0.496 nan 8.150 nan 0.000 0.444 431 R N 0.032 120.559 120.500 0.044 0.000 2.083 431 R HA -0.171 4.169 4.340 -0.000 0.000 0.237 431 R C 1.894 178.214 176.300 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 4.587 4.740 -0.000 0.000 0.184 432 N C 1.102 176.626 175.510 0.023 0.000 1.016 432 N CA 1.035 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 -0.565 119.650 120.200 0.025 0.000 2.481 433 E HA 0.028 4.378 4.350 -0.000 0.000 0.195 433 E C 1.051 177.664 176.600 0.021 0.000 1.047 433 E CA 0.187 56.600 56.400 0.022 0.000 0.867 433 E CB 0.357 30.071 29.700 0.023 0.000 0.858 433 E HN 0.470 nan 8.360 nan 0.000 0.513 434 G N 1.451 110.266 108.800 0.024 0.000 2.231 434 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.206 434 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.206 434 G C 0.269 175.184 174.900 0.025 0.000 0.996 434 G CA -0.485 44.628 45.100 0.022 0.000 0.645 434 G HN 0.052 nan 8.290 nan 0.000 0.498 435 R N 0.911 121.428 120.500 0.029 0.000 2.694 435 R HA 0.302 4.642 4.340 -0.000 0.000 0.268 435 R C -0.748 175.572 176.300 0.033 0.000 1.061 435 R CA -0.121 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 3.041 123.461 120.400 0.032 0.000 2.428 436 D HA 0.061 4.701 4.640 -0.000 0.000 0.221 436 D C 1.231 177.554 176.300 0.038 0.000 1.123 436 D CA -0.176 53.842 54.000 0.031 0.000 0.869 436 D CB 0.774 41.590 40.800 0.026 0.000 1.032 436 D HN 0.417 nan 8.370 nan 0.000 0.506 437 L N 2.955 124.203 121.223 0.041 0.000 2.187 437 L HA -0.198 4.142 4.340 -0.000 0.000 0.213 437 L C 2.377 179.279 176.870 0.053 0.000 1.100 437 L CA 1.215 56.086 54.840 0.051 0.000 0.765 437 L CB -0.310 41.781 42.059 0.053 0.000 0.904 437 L HN 0.409 nan 8.230 nan 0.000 0.437 438 A N 0.182 123.026 122.820 0.040 0.000 1.898 438 A HA -0.159 4.161 4.320 -0.000 0.000 0.216 438 A C 2.401 180.008 177.584 0.038 0.000 1.181 438 A CA 1.370 53.429 52.037 0.036 0.000 0.620 438 A CB -0.271 18.742 19.000 0.022 0.000 0.819 438 A HN 0.327 nan 8.150 nan 0.000 0.442 439 R N -0.509 120.012 120.500 0.035 0.000 2.105 439 R HA 0.061 4.401 4.340 -0.000 0.000 0.214 439 R C 1.183 177.509 176.300 0.043 0.000 1.091 439 R CA 1.100 57.220 56.100 0.033 0.000 1.007 439 R CB -0.037 30.279 30.300 0.026 0.000 0.912 439 R HN 0.571 nan 8.270 nan 0.000 0.450 440 E N 0.266 120.495 120.200 0.048 0.000 2.437 440 E HA 0.081 4.431 4.350 -0.000 0.000 0.189 440 E C 1.415 178.062 176.600 0.078 0.000 1.054 440 E CA 0.086 56.521 56.400 0.058 0.000 0.874 440 E CB 0.586 30.318 29.700 0.053 0.000 1.011 440 E HN 0.386 nan 8.360 nan 0.000 0.474 441 G N 2.711 111.562 108.800 0.085 0.000 2.586 441 G HA2 -0.372 3.588 3.960 -0.000 0.000 0.218 441 G HA3 -0.372 3.588 3.960 -0.000 0.000 0.218 441 G C 1.320 176.317 174.900 0.163 0.000 1.216 441 G CA 1.194 46.363 45.100 0.115 0.000 0.786 441 G HN 0.292 nan 8.290 nan 0.000 0.583 442 N N -0.311 118.501 118.700 0.186 0.000 2.309 442 N HA -0.054 4.686 4.740 -0.000 0.000 0.182 442 N C 2.167 177.820 175.510 0.239 0.000 1.018 442 N CA 1.180 54.408 53.050 0.296 0.000 0.876 442 N CB -0.088 38.510 38.487 0.184 0.000 0.972 442 N HN 0.271 nan 8.380 nan 0.000 0.434 443 T N 1.166 115.805 114.554 0.141 0.000 2.812 443 T HA 0.011 4.361 4.350 -0.000 0.000 0.264 443 T C 1.964 176.722 174.700 0.097 0.000 1.042 443 T CA 0.656 62.821 62.100 0.108 0.000 1.140 443 T CB -0.097 68.817 68.868 0.077 0.000 0.870 443 T HN 0.164 nan 8.240 nan 0.000 0.445 444 I N 0.896 121.521 120.570 0.091 0.000 2.179 444 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 444 I C 2.177 178.314 176.117 0.032 0.000 1.088 444 I CA 0.948 62.290 61.300 0.071 0.000 1.357 444 I CB -0.354 37.688 38.000 0.070 0.000 1.051 444 I HN 0.178 nan 8.210 nan 0.000 0.409 445 I N 0.472 121.049 120.570 0.012 0.000 2.202 445 I HA -0.252 3.918 4.170 -0.000 0.000 0.242 445 I C 2.675 178.697 176.117 -0.158 0.000 1.091 445 I CA 1.456 62.669 61.300 -0.144 0.000 1.368 445 I CB -1.230 36.598 38.000 -0.286 0.000 1.058 445 I HN 0.213 nan 8.210 nan 0.000 0.410 446 R N 1.406 121.914 120.500 0.012 0.000 2.091 446 R HA -0.180 4.160 4.340 -0.000 0.000 0.238 446 R C 2.140 178.432 176.300 -0.013 0.000 1.136 446 R CA 1.555 57.685 56.100 0.050 0.000 0.959 446 R CB -0.286 30.107 30.300 0.154 0.000 0.856 446 R HN 0.424 nan 8.270 nan 0.000 0.437 447 E N -0.685 119.525 120.200 0.016 0.000 2.077 447 E HA -0.169 4.181 4.350 -0.000 0.000 0.193 447 E C 1.903 178.492 176.600 -0.018 0.000 0.989 447 E CA 1.223 57.651 56.400 0.046 0.000 0.800 447 E CB -0.193 29.571 29.700 0.106 0.000 0.746 447 E HN 0.483 nan 8.360 nan 0.000 0.452 448 A N 1.315 124.055 122.820 -0.133 0.000 1.969 448 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 448 A C 2.419 179.495 177.584 -0.847 0.000 1.169 448 A CA 1.874 53.595 52.037 -0.528 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 -2.311 111.965 114.554 -0.463 0.000 2.946 449 T HA -0.112 4.238 4.350 -0.000 0.000 0.271 449 T C 1.528 176.047 174.700 -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 4.375 4.320 -0.000 0.000 0.201 450 K C 1.708 178.319 176.600 0.018 0.000 1.048 450 K CA 0.835 57.088 56.287 -0.058 0.000 0.956 450 K CB -0.241 32.301 32.500 0.069 0.000 0.746 450 K HN 0.886 nan 8.250 nan 0.000 0.461 451 W N -0.838 120.460 121.300 -0.003 0.000 2.714 451 W HA 0.390 5.050 4.660 -0.000 0.000 0.353 451 W C -0.138 176.383 176.519 0.003 0.000 0.999 451 W CA -0.518 56.829 57.345 0.003 0.000 1.629 451 W CB -0.020 29.441 29.460 0.001 0.000 1.106 451 W HN -0.153 nan 8.180 nan 0.000 0.545 452 S N 2.711 118.140 115.700 -0.452 0.000 2.622 452 S HA 0.401 4.871 4.470 -0.000 0.000 0.283 452 S C -1.636 172.837 174.600 -0.211 0.000 1.197 452 S CA -1.205 56.781 58.200 -0.357 0.000 1.146 452 S CB 1.283 64.032 63.200 -0.751 0.000 1.007 452 S HN -0.288 nan 8.310 nan 0.000 0.478 453 P HA -0.072 nan 4.420 nan 0.000 0.218 453 P C 0.906 178.120 177.300 -0.144 0.000 1.148 453 P CA 1.032 64.152 63.100 0.033 0.000 0.822 453 P CB 0.243 32.100 31.700 0.261 0.000 0.784 454 E N -0.695 119.425 120.200 -0.134 0.000 2.051 454 E HA -0.153 4.197 4.350 -0.000 0.000 0.192 454 E C 1.836 178.277 176.600 -0.264 0.000 0.991 454 E CA 0.795 57.029 56.400 -0.277 0.000 0.799 454 E CB -1.248 28.373 29.700 -0.131 0.000 0.748 454 E HN 0.101 nan 8.360 nan 0.000 0.449 455 L N 0.623 121.679 121.223 -0.278 0.000 2.046 455 L HA -0.057 4.283 4.340 -0.000 0.000 0.208 455 L C 2.047 178.710 176.870 -0.344 0.000 1.077 455 L CA 2.039 56.691 54.840 -0.314 0.000 0.747 455 L CB -1.045 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 -0.226 122.398 122.820 -0.327 0.000 1.892 456 A HA -0.241 4.079 4.320 -0.000 0.000 0.218 456 A C 2.464 179.860 177.584 -0.313 0.000 1.188 456 A CA 2.431 54.304 52.037 -0.273 0.000 0.631 456 A CB -1.345 17.541 19.000 -0.190 0.000 0.822 456 A HN 0.600 nan 8.150 nan 0.000 0.447 457 A N -0.647 121.902 122.820 -0.452 0.000 1.972 457 A HA 0.206 4.526 4.320 -0.000 0.000 0.219 457 A C 2.448 179.611 177.584 -0.701 0.000 1.169 457 A CA 2.008 53.686 52.037 -0.599 0.000 0.635 457 A CB -0.844 17.551 19.000 -1.009 0.000 0.810 457 A HN 1.091 nan 8.150 nan 0.000 0.446 458 A N -1.190 121.228 122.820 -0.670 0.000 1.929 458 A HA -0.096 4.224 4.320 -0.000 0.000 0.216 458 A C 2.256 179.625 177.584 -0.360 0.000 1.176 458 A CA 1.425 53.104 52.037 -0.596 0.000 0.628 458 A CB -1.186 17.714 19.000 -0.167 0.000 0.816 458 A HN 0.561 nan 8.150 nan 0.000 0.444 459 C N -0.332 118.796 119.300 -0.286 0.000 2.413 459 C HA -0.131 4.329 4.460 -0.000 0.000 0.276 459 C C 2.661 177.708 174.990 0.096 0.000 1.248 459 C CA 1.333 60.286 59.018 -0.108 0.000 1.742 459 C CB -1.291 26.329 27.740 -0.200 0.000 2.017 459 C HN 0.695 nan 8.230 nan 0.000 0.481 460 E N 0.167 120.301 120.200 -0.110 0.000 2.058 460 E HA -0.202 4.148 4.350 -0.000 0.000 0.194 460 E C 2.096 178.565 176.600 -0.219 0.000 0.997 460 E CA 1.596 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 0.257 119.893 119.914 -0.462 0.000 2.343 461 V HA -0.204 3.916 4.120 -0.000 0.000 0.247 461 V C 1.400 177.133 176.094 -0.603 0.000 1.051 461 V CA 1.348 63.229 62.300 -0.698 0.000 1.036 461 V CB -0.342 30.691 31.823 -1.316 0.000 0.654 461 V HN 0.442 nan 8.190 nan 0.000 0.451 462 W N -0.369 120.858 121.300 -0.123 0.000 3.005 462 W HA 0.332 4.991 4.660 -0.000 0.000 0.374 462 W C 1.899 178.337 176.519 -0.134 0.000 1.076 462 W CA -0.783 56.412 57.345 -0.250 0.000 1.794 462 W CB -0.334 28.739 29.460 -0.644 0.000 1.113 462 W HN 0.279 nan 8.180 nan 0.000 0.584 463 K N 1.520 122.008 120.400 0.146 0.000 2.107 463 K HA -0.227 4.093 4.320 -0.000 0.000 0.211 463 K C 1.136 177.608 176.600 -0.213 0.000 1.049 463 K CA 1.907 58.134 56.287 -0.099 0.000 0.927 463 K CB 0.216 32.663 32.500 -0.089 0.000 0.714 463 K HN -0.117 nan 8.250 nan 0.000 0.452 464 E N 0.419 120.552 120.200 -0.111 0.000 2.444 464 E HA 0.046 4.396 4.350 -0.000 0.000 0.191 464 E C -0.242 176.311 176.600 -0.079 0.000 1.041 464 E CA 0.040 56.372 56.400 -0.113 0.000 0.883 464 E CB 0.377 30.019 29.700 -0.097 0.000 1.024 464 E HN 0.254 nan 8.360 nan 0.000 0.470 465 I N 1.675 122.230 120.570 -0.024 0.000 2.325 465 I HA 0.251 4.421 4.170 -0.000 0.000 0.291 465 I C 0.417 176.546 176.117 0.021 0.000 1.019 465 I CA -0.187 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 5.428 125.702 120.400 -0.209 0.000 2.482 466 K HA 0.627 4.947 4.320 -0.000 0.000 0.257 466 K C -1.580 174.814 176.600 -0.344 0.000 0.969 466 K CA -0.625 55.607 56.287 -0.091 0.000 0.842 466 K CB 2.742 35.222 32.500 -0.033 0.000 1.359 466 K HN 0.186 nan 8.250 nan 0.000 0.441 467 F N 1.563 121.633 119.950 0.200 0.000 2.513 467 F HA 0.303 4.830 4.527 -0.000 0.000 0.358 467 F C -0.477 175.448 175.800 0.208 0.000 1.118 467 F CA -0.564 57.584 58.000 0.247 0.000 1.037 467 F CB 1.630 40.781 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 -0.000 0.000 0.256 468 E C -1.372 175.118 176.600 -0.184 0.000 0.887 468 E CA -0.541 55.891 56.400 0.054 0.000 0.782 468 E CB 2.013 31.687 29.700 -0.044 0.000 1.214 468 E HN 0.307 nan 8.360 nan 0.000 0.417 469 F N 1.517 121.516 119.950 0.081 0.000 2.643 469 F HA 0.431 4.958 4.527 -0.000 0.000 0.314 469 F C -1.941 173.890 175.800 0.052 0.000 1.096 469 F CA -1.937 56.101 58.000 0.063 0.000 0.953 469 F CB 0.820 39.862 39.000 0.070 0.000 1.345 469 F HN 0.267 nan 8.300 nan 0.000 0.468 470 P HA 0.428 nan 4.420 nan 0.000 0.271 470 P C -1.130 176.257 177.300 0.145 0.000 1.218 470 P CA -0.326 62.864 63.100 0.150 0.000 0.780 470 P CB 0.873 32.642 31.700 0.114 0.000 0.901 471 A N 2.690 125.576 122.820 0.109 0.000 2.316 471 A HA 0.411 4.731 4.320 -0.000 0.000 0.284 471 A C 1.214 178.846 177.584 0.080 0.000 1.115 471 A CA -0.543 51.551 52.037 0.094 0.000 0.812 471 A CB 0.408 19.463 19.000 0.092 0.000 1.064 471 A HN 0.487 nan 8.150 nan 0.000 0.489 472 M N 0.320 119.962 119.600 0.070 0.000 2.466 472 M HA 0.085 4.565 4.480 -0.000 0.000 0.265 472 M C 0.175 176.524 176.300 0.082 0.000 1.122 472 M CA 0.873 56.212 55.300 0.064 0.000 1.157 472 M CB -1.122 31.505 32.600 0.045 0.000 1.352 472 M HN 0.833 nan 8.290 nan 0.000 0.464 473 D N 2.052 122.513 120.400 0.102 0.000 2.427 473 D HA 0.308 4.948 4.640 -0.000 0.000 0.226 473 D C -0.654 175.738 176.300 0.154 0.000 1.076 473 D CA -0.052 54.035 54.000 0.146 0.000 0.849 473 D CB 1.041 41.947 40.800 0.177 0.000 1.052 473 D HN 0.157 nan 8.370 nan 0.000 0.515 474 T N -0.187 114.445 114.554 0.129 0.000 2.916 474 T HA 0.540 4.890 4.350 -0.000 0.000 0.292 474 T C 0.402 175.160 174.700 0.095 0.000 1.064 474 T CA -0.871 61.291 62.100 0.104 0.000 1.011 474 T CB 0.981 69.894 68.868 0.074 0.000 1.152 474 T HN 0.097 nan 8.240 nan 0.000 0.510 475 V N 0.000 119.956 119.914 0.069 0.000 2.409 475 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 475 V CA 0.000 62.329 62.300 0.048 0.000 1.235 475 V CB 0.000 31.832 31.823 0.015 0.000 1.184 475 V HN 0.000 nan 8.190 nan 0.000 0.556