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 1z26_1_A DATA FIRST_RESID 0 DATA SEQUENCE SMKAIVVINL VKINKKIIPD KIYVYRLXXX XXXXXXXXXY SIYRLAYENV DATA SEQUENCE GIVIDPENLI IATTKELEYE GEFIPEGEIS FSELRNDYQS KLVLRLLKEN DATA SEQUENCE GIGEYELSKL LRKFRKPKTF GDYKVIPSVE MSVIKHDEDF YLVIHIIHQI DATA SEQUENCE QSMKTLWELV NKDPKELEEF LMTHKENLML KDIASPLKTV YKPCFEEYTK DATA SEQUENCE KPKLDHNQEI VKYWYNYHIE RYWNTPEAKL EFYRKFGQVD LKQPAILAKF DATA SEQUENCE ASKXXXXXNY KIYLLPQLVV PTYNAEQLXX XXAKEILEYT KLMPEERKEL DATA SEQUENCE LENILAEVDS DIIDKSLSEI EVEKIAQELE NKIRVRDDKG NSVPISQXXX DATA SEQUENCE XXXXXLLWTN YSRKYPVILP YEVPEKFRKI REIPMFIILD SGLLADIQNF DATA SEQUENCE ATNEFRELVK SMYYSLAKKY XXXXXXXXXX XXXXXXXXXX XXKEKVITED DATA SEQUENCE LNSDKGIIEV VEQVSSFMKG KELGLAFIAA RNKLSSEKFE EIKRRLFNLN DATA SEQUENCE VISQVVNEDT LKNKRDKYDR NRLDLFVRHN LLFQVLSKLG VKYYVLDYRF DATA SEQUENCE NYDYIIGIDV APMKRSEGYI GGSAVMFDSQ GYIRKIVPIK IGEQRGESVD DATA SEQUENCE MNEFFKEMVD KFKEFNIKLD NKKILLLRDG RITNNEEEGL KYISEMFDIE DATA SEQUENCE VVTMDVIKNH PVRAFANMKM YFNLGGAIYL IPHKLKQAKG TPIPIKLAKK DATA SEQUENCE RIIKNGKVEK QSITRQDVLD IFILTRLNYG SIXXXXRLPA PVHYAHKFAN DATA SEQUENCE AIRNEWKIKE EFLAEGFLYF V 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 0 S HA 0.000 nan 4.470 nan 0.000 0.327 0 S C 0.000 174.581 174.600 -0.032 0.000 1.055 0 S CA 0.000 58.183 58.200 -0.028 0.000 1.107 0 S CB 0.000 63.180 63.200 -0.033 0.000 0.593 1 M N 3.155 122.736 119.600 -0.032 0.000 1.658 1 M HA 0.372 4.893 4.480 0.069 0.000 0.094 1 M C 0.154 176.422 176.300 -0.052 0.000 1.024 1 M CA 1.103 56.381 55.300 -0.037 0.000 0.474 1 M CB -0.038 32.543 32.600 -0.032 0.000 0.695 1 M HN 0.662 nan 8.290 nan 0.000 0.264 2 K N -0.816 119.551 120.400 -0.056 0.000 2.312 2 K HA 0.854 5.216 4.320 0.069 0.000 0.236 2 K C -1.538 175.023 176.600 -0.065 0.000 1.079 2 K CA -0.864 55.378 56.287 -0.075 0.000 0.900 2 K CB 1.726 34.180 32.500 -0.076 0.000 1.297 2 K HN 0.673 nan 8.250 nan 0.000 0.498 3 A N 0.378 123.153 122.820 -0.076 0.000 2.586 3 A HA 0.552 4.914 4.320 0.069 0.000 0.290 3 A C -1.857 175.675 177.584 -0.087 0.000 1.086 3 A CA -0.708 51.289 52.037 -0.067 0.000 0.665 3 A CB 1.012 19.979 19.000 -0.056 0.000 1.279 3 A HN 0.412 nan 8.150 nan 0.000 0.423 4 I N 1.840 122.361 120.570 -0.081 0.000 2.362 4 I HA 0.545 4.756 4.170 0.069 0.000 0.289 4 I C -0.066 175.987 176.117 -0.106 0.000 0.994 4 I CA -0.560 60.678 61.300 -0.103 0.000 1.158 4 I CB 0.868 38.819 38.000 -0.081 0.000 1.315 4 I HN 0.753 nan 8.210 nan 0.000 0.451 5 V N 5.537 125.356 119.914 -0.159 0.000 2.823 5 V HA 0.690 4.851 4.120 0.069 0.000 0.312 5 V C -0.379 175.600 176.094 -0.190 0.000 1.072 5 V CA -0.693 61.517 62.300 -0.149 0.000 0.937 5 V CB 2.098 33.825 31.823 -0.160 0.000 1.013 5 V HN 0.312 nan 8.190 nan 0.000 0.430 6 V N 5.603 125.452 119.914 -0.110 0.000 2.583 6 V HA 0.476 4.638 4.120 0.069 0.000 0.287 6 V C 0.399 176.347 176.094 -0.242 0.000 1.051 6 V CA 0.037 62.281 62.300 -0.093 0.000 1.010 6 V CB 0.965 32.831 31.823 0.073 0.000 0.988 6 V HN 0.958 nan 8.190 nan 0.000 0.478 7 I N 1.724 122.089 120.570 -0.342 0.000 3.067 7 I HA 0.606 4.818 4.170 0.069 0.000 0.312 7 I C 0.490 176.339 176.117 -0.448 0.000 1.073 7 I CA -1.010 59.946 61.300 -0.572 0.000 1.016 7 I CB 2.042 39.713 38.000 -0.549 0.000 1.227 7 I HN 0.544 nan 8.210 nan 0.000 0.456 8 N N 2.822 121.208 118.700 -0.523 0.000 2.652 8 N HA 0.188 4.970 4.740 0.069 0.000 0.259 8 N C -0.994 174.499 175.510 -0.029 0.000 1.240 8 N CA -0.036 52.947 53.050 -0.110 0.000 0.951 8 N CB -0.323 38.179 38.487 0.025 0.000 1.281 8 N HN 0.521 nan 8.380 nan 0.000 0.507 9 L N -0.099 121.087 121.223 -0.063 0.000 2.346 9 L HA 0.515 4.897 4.340 0.069 0.000 0.276 9 L C -0.448 176.481 176.870 0.098 0.000 1.006 9 L CA -1.087 53.761 54.840 0.014 0.000 0.817 9 L CB 2.176 44.184 42.059 -0.084 0.000 1.272 9 L HN -0.020 nan 8.230 nan 0.000 0.421 10 V N 3.671 123.686 119.914 0.168 0.000 2.483 10 V HA 0.436 4.598 4.120 0.069 0.000 0.297 10 V C -0.114 176.081 176.094 0.169 0.000 1.027 10 V CA -0.843 61.550 62.300 0.155 0.000 0.855 10 V CB 1.553 33.429 31.823 0.088 0.000 0.995 10 V HN 0.794 nan 8.190 nan 0.000 0.424 11 K N 5.789 126.274 120.400 0.142 0.000 2.485 11 K HA 0.244 4.606 4.320 0.069 0.000 0.277 11 K C -0.561 175.951 176.600 -0.147 0.000 0.990 11 K CA 0.069 56.234 56.287 -0.203 0.000 0.994 11 K CB 0.379 32.769 32.500 -0.182 0.000 0.906 11 K HN 0.727 nan 8.250 nan 0.000 0.488 12 I N 3.117 123.563 120.570 -0.207 0.000 2.437 12 I HA 0.110 4.322 4.170 0.069 0.000 0.298 12 I C 0.239 176.305 176.117 -0.084 0.000 0.984 12 I CA -0.826 60.420 61.300 -0.090 0.000 1.214 12 I CB 1.629 39.606 38.000 -0.039 0.000 1.365 12 I HN 0.679 nan 8.210 nan 0.000 0.469 13 N N 4.164 122.825 118.700 -0.065 0.000 2.470 13 N HA 0.024 4.805 4.740 0.069 0.000 0.268 13 N C 1.221 176.687 175.510 -0.072 0.000 1.136 13 N CA -0.420 52.595 53.050 -0.059 0.000 0.961 13 N CB 0.772 39.229 38.487 -0.050 0.000 1.067 13 N HN 0.600 nan 8.380 nan 0.000 0.468 14 K N 3.575 123.943 120.400 -0.053 0.000 2.280 14 K HA -0.217 4.144 4.320 0.069 0.000 0.202 14 K C 1.109 177.639 176.600 -0.116 0.000 1.047 14 K CA 1.263 57.508 56.287 -0.070 0.000 0.942 14 K CB -0.110 32.380 32.500 -0.015 0.000 0.739 14 K HN 0.592 nan 8.250 nan 0.000 0.457 15 K N 1.008 121.354 120.400 -0.090 0.000 2.519 15 K HA -0.071 4.291 4.320 0.069 0.000 0.196 15 K C 1.774 178.297 176.600 -0.128 0.000 1.041 15 K CA 1.088 57.319 56.287 -0.094 0.000 0.954 15 K CB -0.223 32.238 32.500 -0.065 0.000 0.774 15 K HN 0.320 nan 8.250 nan 0.000 0.480 16 I N 1.266 121.739 120.570 -0.161 0.000 3.030 16 I HA 0.055 4.266 4.170 0.069 0.000 0.270 16 I C 0.407 176.348 176.117 -0.294 0.000 1.211 16 I CA -0.125 61.061 61.300 -0.191 0.000 1.479 16 I CB 0.306 38.201 38.000 -0.176 0.000 1.105 16 I HN 0.106 nan 8.210 nan 0.000 0.447 17 I N 4.971 125.303 120.570 -0.396 0.000 2.741 17 I HA 0.002 4.213 4.170 0.069 0.000 0.288 17 I C -1.727 174.122 176.117 -0.447 0.000 1.192 17 I CA -1.102 59.807 61.300 -0.652 0.000 1.426 17 I CB -0.273 37.294 38.000 -0.723 0.000 1.367 17 I HN 0.090 nan 8.210 nan 0.000 0.563 18 P HA 0.029 nan 4.420 nan 0.000 0.269 18 P C -0.256 176.937 177.300 -0.178 0.000 1.209 18 P CA -0.089 62.864 63.100 -0.245 0.000 0.776 18 P CB 1.191 32.775 31.700 -0.192 0.000 0.876 19 D N 2.120 122.440 120.400 -0.133 0.000 2.084 19 D HA -0.032 4.650 4.640 0.069 0.000 0.199 19 D C 0.339 176.585 176.300 -0.091 0.000 0.981 19 D CA 1.501 55.446 54.000 -0.092 0.000 0.841 19 D CB 0.250 41.008 40.800 -0.069 0.000 0.997 19 D HN 0.463 nan 8.370 nan 0.000 0.454 20 K N 0.444 120.754 120.400 -0.150 0.000 2.397 20 K HA 0.553 4.914 4.320 0.069 0.000 0.253 20 K C -0.703 175.626 176.600 -0.451 0.000 0.932 20 K CA -0.407 55.744 56.287 -0.227 0.000 0.795 20 K CB 2.812 35.206 32.500 -0.177 0.000 1.159 20 K HN -0.065 nan 8.250 nan 0.000 0.424 21 I N 3.129 123.478 120.570 -0.368 0.000 2.433 21 I HA 0.326 4.538 4.170 0.069 0.000 0.292 21 I C -1.022 174.889 176.117 -0.343 0.000 1.001 21 I CA -1.096 59.987 61.300 -0.362 0.000 1.119 21 I CB 0.910 38.844 38.000 -0.109 0.000 1.289 21 I HN 0.414 nan 8.210 nan 0.000 0.438 22 Y N 4.904 125.180 120.300 -0.041 0.000 2.341 22 Y HA 0.540 5.132 4.550 0.069 0.000 0.337 22 Y C 0.132 175.802 175.900 -0.383 0.000 1.014 22 Y CA -1.108 56.871 58.100 -0.201 0.000 1.111 22 Y CB 1.234 39.623 38.460 -0.120 0.000 1.194 22 Y HN 0.162 nan 8.280 nan 0.000 0.462 23 V N 4.152 123.845 119.914 -0.368 0.000 2.713 23 V HA 0.486 4.648 4.120 0.069 0.000 0.307 23 V C -0.883 174.813 176.094 -0.664 0.000 1.052 23 V CA -0.985 61.108 62.300 -0.345 0.000 0.967 23 V CB 1.187 32.915 31.823 -0.159 0.000 1.019 23 V HN 0.665 nan 8.190 nan 0.000 0.459 24 Y N 1.858 122.192 120.300 0.057 0.000 2.625 24 Y HA 0.711 5.303 4.550 0.069 0.000 0.338 24 Y C -0.083 175.864 175.900 0.079 0.000 1.123 24 Y CA -0.951 57.201 58.100 0.086 0.000 1.046 24 Y CB 1.865 40.331 38.460 0.011 0.000 1.299 24 Y HN 0.541 nan 8.280 nan 0.000 0.464 25 R N 1.598 122.283 120.500 0.308 0.000 2.795 25 R HA 0.871 5.252 4.340 0.069 0.000 0.275 25 R C -2.046 174.389 176.300 0.225 0.000 0.981 25 R CA -0.461 55.754 56.100 0.192 0.000 0.917 25 R CB 1.695 32.074 30.300 0.133 0.000 1.202 25 R HN 0.828 nan 8.270 nan 0.000 0.469 40 S N 2.181 117.774 115.700 -0.178 0.000 2.495 40 S HA 0.379 4.890 4.470 0.069 0.000 0.273 40 S C 1.365 175.714 174.600 -0.418 0.000 1.156 40 S CA -0.021 58.014 58.200 -0.275 0.000 1.032 40 S CB 0.540 63.654 63.200 -0.143 0.000 1.160 40 S HN 0.614 nan 8.310 nan 0.000 0.489 41 I N -0.310 120.024 120.570 -0.394 0.000 2.394 41 I HA -0.103 4.109 4.170 0.069 0.000 0.251 41 I C 1.607 177.566 176.117 -0.264 0.000 1.136 41 I CA 1.297 62.349 61.300 -0.414 0.000 1.425 41 I CB -0.169 37.566 38.000 -0.442 0.000 1.079 41 I HN 0.609 nan 8.210 nan 0.000 0.425 42 Y N 0.699 120.938 120.300 -0.100 0.000 2.184 42 Y HA -0.148 4.444 4.550 0.069 0.000 0.290 42 Y C 2.596 178.509 175.900 0.021 0.000 1.129 42 Y CA 1.013 59.098 58.100 -0.025 0.000 1.144 42 Y CB -0.767 37.679 38.460 -0.023 0.000 0.995 42 Y HN 0.024 nan 8.280 nan 0.000 0.513 43 R N -0.131 120.462 120.500 0.155 0.000 2.096 43 R HA -0.116 4.266 4.340 0.069 0.000 0.235 43 R C 2.128 178.587 176.300 0.265 0.000 1.127 43 R CA 0.817 57.046 56.100 0.215 0.000 0.968 43 R CB -1.173 29.301 30.300 0.291 0.000 0.861 43 R HN 0.299 nan 8.270 nan 0.000 0.440 44 L N 0.257 121.477 121.223 -0.006 0.000 1.943 44 L HA -0.175 4.206 4.340 0.069 0.000 0.215 44 L C 2.042 178.934 176.870 0.037 0.000 1.074 44 L CA 2.410 57.206 54.840 -0.074 0.000 0.759 44 L CB -1.166 40.624 42.059 -0.449 0.000 0.888 44 L HN 0.214 nan 8.230 nan 0.000 0.433 45 A N -1.397 121.435 122.820 0.021 0.000 1.884 45 A HA -0.356 4.006 4.320 0.069 0.000 0.219 45 A C 2.318 179.966 177.584 0.107 0.000 1.197 45 A CA 2.297 54.375 52.037 0.069 0.000 0.637 45 A CB -1.562 17.506 19.000 0.113 0.000 0.827 45 A HN 0.714 nan 8.150 nan 0.000 0.450 46 Y N 0.715 121.056 120.300 0.070 0.000 2.014 46 Y HA -0.317 4.274 4.550 0.069 0.000 0.272 46 Y C 2.357 178.289 175.900 0.053 0.000 1.164 46 Y CA 2.632 60.769 58.100 0.063 0.000 1.114 46 Y CB -0.497 38.001 38.460 0.064 0.000 0.961 46 Y HN 0.498 nan 8.280 nan 0.000 0.489 47 E N -0.360 119.976 120.200 0.225 0.000 2.209 47 E HA -0.223 4.168 4.350 0.069 0.000 0.196 47 E C 1.293 177.885 176.600 -0.014 0.000 0.993 47 E CA 1.023 57.487 56.400 0.107 0.000 0.819 47 E CB -0.224 29.587 29.700 0.184 0.000 0.745 47 E HN 0.550 nan 8.360 nan 0.000 0.477 48 N N 0.483 119.184 118.700 0.001 0.000 2.370 48 N HA -0.005 4.776 4.740 0.069 0.000 0.198 48 N C -0.455 175.036 175.510 -0.032 0.000 1.156 48 N CA 0.197 53.243 53.050 -0.007 0.000 0.839 48 N CB 0.967 39.454 38.487 0.001 0.000 0.989 48 N HN -0.119 nan 8.380 nan 0.000 0.468 49 V N -0.106 119.733 119.914 -0.125 0.000 6.016 49 V HA -0.227 3.934 4.120 0.069 0.000 0.265 49 V C 0.692 176.752 176.094 -0.057 0.000 0.621 49 V CA 0.937 63.147 62.300 -0.150 0.000 0.592 49 V CB -2.031 29.725 31.823 -0.111 0.000 0.298 49 V HN 0.511 nan 8.190 nan 0.000 0.615 50 G N 0.659 109.445 108.800 -0.023 0.000 2.606 50 G HA2 0.905 4.907 3.960 0.069 0.000 0.300 50 G HA3 0.905 4.907 3.960 0.069 0.000 0.300 50 G C -1.103 173.851 174.900 0.089 0.000 1.360 50 G CA -0.210 44.917 45.100 0.045 0.000 0.783 50 G HN 1.022 nan 8.290 nan 0.000 0.484 51 I N -3.102 117.543 120.570 0.124 0.000 3.869 51 I HA 0.884 5.095 4.170 0.069 0.000 0.260 51 I C -0.602 175.627 176.117 0.186 0.000 1.160 51 I CA -1.717 59.688 61.300 0.175 0.000 1.248 51 I CB 1.138 39.260 38.000 0.203 0.000 1.393 51 I HN 0.349 nan 8.210 nan 0.000 0.473 52 V N 1.757 121.818 119.914 0.245 0.000 2.409 52 V HA 0.382 4.544 4.120 0.069 0.000 0.290 52 V C 0.817 177.034 176.094 0.205 0.000 1.017 52 V CA -0.303 62.125 62.300 0.213 0.000 0.841 52 V CB 0.838 32.842 31.823 0.302 0.000 1.003 52 V HN 0.740 nan 8.190 nan 0.000 0.426 53 I N 1.361 121.932 120.570 0.001 0.000 2.133 53 I HA -0.007 4.204 4.170 0.069 0.000 0.238 53 I C 0.830 176.825 176.117 -0.202 0.000 1.074 53 I CA 1.462 62.577 61.300 -0.308 0.000 1.342 53 I CB 0.230 38.064 38.000 -0.277 0.000 1.053 53 I HN 0.553 nan 8.210 nan 0.000 0.404 54 D N -0.348 120.021 120.400 -0.052 0.000 2.492 54 D HA 0.221 4.902 4.640 0.069 0.000 0.248 54 D C -1.969 174.358 176.300 0.045 0.000 1.101 54 D CA -1.949 52.057 54.000 0.010 0.000 0.840 54 D CB 2.415 43.205 40.800 -0.017 0.000 1.209 54 D HN -0.212 nan 8.370 nan 0.000 0.524 55 P HA -0.143 nan 4.420 nan 0.000 0.205 55 P C 1.208 178.516 177.300 0.012 0.000 1.181 55 P CA 1.019 64.160 63.100 0.068 0.000 0.933 55 P CB 0.477 32.242 31.700 0.108 0.000 0.775 56 E N -0.426 119.789 120.200 0.025 0.000 2.033 56 E HA -0.199 4.192 4.350 0.069 0.000 0.199 56 E C 1.705 178.307 176.600 0.002 0.000 1.011 56 E CA 1.213 57.620 56.400 0.012 0.000 0.815 56 E CB -1.409 28.304 29.700 0.022 0.000 0.755 56 E HN 0.275 nan 8.360 nan 0.000 0.451 57 N N 0.733 119.438 118.700 0.008 0.000 2.588 57 N HA -0.135 4.647 4.740 0.069 0.000 0.190 57 N C 0.381 175.893 175.510 0.004 0.000 1.094 57 N CA 0.366 53.421 53.050 0.008 0.000 0.921 57 N CB -0.056 38.436 38.487 0.009 0.000 0.959 57 N HN 0.227 nan 8.380 nan 0.000 0.448 58 L N 0.122 121.336 121.223 -0.015 0.000 3.632 58 L HA -0.204 4.177 4.340 0.069 0.000 0.510 58 L C -0.807 176.060 176.870 -0.005 0.000 1.299 58 L CA 0.247 55.066 54.840 -0.034 0.000 0.829 58 L CB -1.874 40.169 42.059 -0.026 0.000 1.559 58 L HN 0.124 nan 8.230 nan 0.000 0.857 59 I N 1.815 122.383 120.570 -0.004 0.000 2.355 59 I HA 0.516 4.727 4.170 0.069 0.000 0.288 59 I C 0.554 176.681 176.117 0.017 0.000 0.999 59 I CA -0.574 60.734 61.300 0.013 0.000 1.163 59 I CB 1.435 39.427 38.000 -0.013 0.000 1.316 59 I HN 0.259 nan 8.210 nan 0.000 0.454 60 I N 3.168 123.774 120.570 0.060 0.000 2.822 60 I HA 0.939 5.151 4.170 0.069 0.000 0.312 60 I C -0.381 175.798 176.117 0.103 0.000 1.011 60 I CA -0.568 60.782 61.300 0.084 0.000 1.105 60 I CB 2.119 40.172 38.000 0.088 0.000 1.291 60 I HN 0.591 nan 8.210 nan 0.000 0.474 61 A N 3.320 126.203 122.820 0.105 0.000 2.569 61 A HA 0.640 5.001 4.320 0.069 0.000 0.282 61 A C -0.422 177.230 177.584 0.113 0.000 1.165 61 A CA -0.422 51.663 52.037 0.079 0.000 0.747 61 A CB 0.805 19.819 19.000 0.023 0.000 1.215 61 A HN 0.778 nan 8.150 nan 0.000 0.431 62 T N 1.013 115.673 114.554 0.176 0.000 2.936 62 T HA 0.580 4.971 4.350 0.069 0.000 0.282 62 T C 1.255 175.986 174.700 0.051 0.000 1.003 62 T CA 0.377 62.576 62.100 0.166 0.000 1.005 62 T CB 1.400 70.451 68.868 0.306 0.000 1.097 62 T HN 0.871 nan 8.240 nan 0.000 0.532 63 T N -0.976 113.581 114.554 0.006 0.000 3.228 63 T HA 0.407 4.798 4.350 0.069 0.000 0.278 63 T C 0.028 174.707 174.700 -0.034 0.000 1.014 63 T CA -0.517 61.506 62.100 -0.128 0.000 0.904 63 T CB 0.062 68.868 68.868 -0.103 0.000 1.110 63 T HN 0.195 nan 8.240 nan 0.000 0.541 64 K N 0.993 121.508 120.400 0.191 0.000 2.533 64 K HA 0.386 4.748 4.320 0.069 0.000 0.272 64 K C -1.111 175.785 176.600 0.494 0.000 0.985 64 K CA -0.633 55.843 56.287 0.316 0.000 0.876 64 K CB 2.158 34.737 32.500 0.132 0.000 1.452 64 K HN 0.284 nan 8.250 nan 0.000 0.439 65 E N 2.621 122.986 120.200 0.275 0.000 2.159 65 E HA 0.008 4.399 4.350 0.069 0.000 0.272 65 E C -0.054 176.542 176.600 -0.007 0.000 1.138 65 E CA -0.328 56.093 56.400 0.035 0.000 0.915 65 E CB 0.355 30.017 29.700 -0.063 0.000 1.028 65 E HN 0.332 nan 8.360 nan 0.000 0.423 66 L N 5.347 126.498 121.223 -0.120 0.000 2.700 66 L HA -0.069 4.313 4.340 0.069 0.000 0.276 66 L C -0.693 175.994 176.870 -0.304 0.000 1.200 66 L CA 1.314 55.898 54.840 -0.426 0.000 0.951 66 L CB -0.122 41.114 42.059 -1.373 0.000 1.226 66 L HN 0.691 nan 8.230 nan 0.000 0.489 67 E N 7.218 127.336 120.200 -0.135 0.000 2.035 67 E HA 0.227 4.619 4.350 0.069 0.000 0.271 67 E C -1.500 175.147 176.600 0.079 0.000 0.953 67 E CA -0.331 56.053 56.400 -0.027 0.000 0.777 67 E CB 0.895 30.602 29.700 0.011 0.000 1.104 67 E HN 0.505 nan 8.360 nan 0.000 0.408 68 Y N 1.867 122.111 120.300 -0.093 0.000 2.364 68 Y HA 0.126 4.717 4.550 0.069 0.000 0.326 68 Y C -1.386 174.599 175.900 0.142 0.000 1.178 68 Y CA -0.954 57.142 58.100 -0.007 0.000 1.422 68 Y CB 0.137 38.519 38.460 -0.130 0.000 1.178 68 Y HN 0.260 nan 8.280 nan 0.000 0.475 69 E N 3.441 123.573 120.200 -0.114 0.000 1.896 69 E HA 0.484 4.875 4.350 0.069 0.000 0.276 69 E C 0.444 176.796 176.600 -0.413 0.000 1.171 69 E CA 0.873 57.180 56.400 -0.154 0.000 1.118 69 E CB -0.016 29.648 29.700 -0.060 0.000 1.077 69 E HN 0.765 nan 8.360 nan 0.000 0.452 70 G N 0.891 109.287 108.800 -0.673 0.000 2.663 70 G HA2 0.219 4.221 3.960 0.069 0.000 0.299 70 G HA3 0.219 4.221 3.960 0.069 0.000 0.299 70 G C -1.043 173.684 174.900 -0.288 0.000 1.372 70 G CA -0.992 43.699 45.100 -0.681 0.000 0.781 70 G HN 0.383 nan 8.290 nan 0.000 0.491 71 E N -0.068 120.088 120.200 -0.075 0.000 2.311 71 E HA 0.203 4.594 4.350 0.069 0.000 0.285 71 E C -0.765 175.956 176.600 0.202 0.000 1.122 71 E CA -0.008 56.412 56.400 0.033 0.000 1.145 71 E CB -0.868 28.874 29.700 0.070 0.000 1.066 71 E HN 0.410 nan 8.360 nan 0.000 0.461 72 F N 0.630 120.612 119.950 0.053 0.000 2.588 72 F HA 0.609 5.178 4.527 0.069 0.000 0.314 72 F C -1.191 174.672 175.800 0.104 0.000 1.069 72 F CA -2.081 55.996 58.000 0.128 0.000 0.931 72 F CB 1.391 40.514 39.000 0.205 0.000 1.260 72 F HN 0.122 nan 8.300 nan 0.000 0.465 73 I N 5.065 125.853 120.570 0.363 0.000 2.411 73 I HA 0.459 4.670 4.170 0.069 0.000 0.284 73 I C -2.601 173.754 176.117 0.396 0.000 1.012 73 I CA -2.760 58.671 61.300 0.218 0.000 1.119 73 I CB 2.145 40.210 38.000 0.109 0.000 1.261 73 I HN 0.437 nan 8.210 nan 0.000 0.448 74 P HA 0.067 nan 4.420 nan 0.000 0.263 74 P C 0.088 177.452 177.300 0.108 0.000 1.276 74 P CA 0.173 63.494 63.100 0.368 0.000 0.986 74 P CB 0.739 32.673 31.700 0.392 0.000 1.105 75 E N 2.463 122.679 120.200 0.027 0.000 2.077 75 E HA -0.000 4.391 4.350 0.069 0.000 0.193 75 E C 1.272 177.851 176.600 -0.036 0.000 0.989 75 E CA 1.323 57.719 56.400 -0.007 0.000 0.800 75 E CB -0.269 29.417 29.700 -0.024 0.000 0.746 75 E HN 0.731 nan 8.360 nan 0.000 0.452 76 G N 0.843 109.587 108.800 -0.093 0.000 2.348 76 G HA2 -0.088 3.913 3.960 0.069 0.000 0.606 76 G HA3 -0.088 3.913 3.960 0.069 0.000 0.606 76 G C -1.077 173.796 174.900 -0.045 0.000 1.466 76 G CA -0.741 44.327 45.100 -0.054 0.000 0.950 76 G HN 0.005 nan 8.290 nan 0.000 0.657 77 E N -0.608 119.610 120.200 0.031 0.000 2.492 77 E HA 0.261 4.652 4.350 0.069 0.000 0.266 77 E C 0.230 176.833 176.600 0.004 0.000 1.047 77 E CA 0.703 57.146 56.400 0.072 0.000 0.968 77 E CB 1.116 30.893 29.700 0.128 0.000 0.960 77 E HN 0.551 nan 8.360 nan 0.000 0.452 78 I N 0.309 120.868 120.570 -0.018 0.000 2.994 78 I HA 0.197 4.409 4.170 0.069 0.000 0.306 78 I C -0.983 175.126 176.117 -0.013 0.000 1.195 78 I CA -0.567 60.719 61.300 -0.024 0.000 1.001 78 I CB 2.016 39.990 38.000 -0.043 0.000 1.244 78 I HN 0.569 nan 8.210 nan 0.000 0.437 79 S N 4.344 120.047 115.700 0.005 0.000 2.475 79 S HA 0.306 4.818 4.470 0.069 0.000 0.298 79 S C 0.675 175.320 174.600 0.075 0.000 1.119 79 S CA -0.624 57.602 58.200 0.042 0.000 1.085 79 S CB 1.369 64.594 63.200 0.041 0.000 1.028 79 S HN 0.676 nan 8.310 nan 0.000 0.489 80 F N 3.897 123.828 119.950 -0.031 0.000 2.082 80 F HA -0.271 4.297 4.527 0.069 0.000 0.298 80 F C 2.600 178.416 175.800 0.028 0.000 1.091 80 F CA 2.553 60.544 58.000 -0.014 0.000 1.230 80 F CB -0.848 38.132 39.000 -0.033 0.000 0.983 80 F HN 0.796 nan 8.300 nan 0.000 0.485 81 S N -0.856 114.881 115.700 0.063 0.000 2.465 81 S HA -0.215 4.296 4.470 0.069 0.000 0.241 81 S C 1.672 176.230 174.600 -0.070 0.000 1.000 81 S CA 1.421 59.617 58.200 -0.005 0.000 0.964 81 S CB -0.724 62.517 63.200 0.069 0.000 0.763 81 S HN 0.692 nan 8.310 nan 0.000 0.512 82 E N 0.716 120.872 120.200 -0.075 0.000 2.170 82 E HA 0.174 4.566 4.350 0.069 0.000 0.191 82 E C 0.157 176.701 176.600 -0.093 0.000 0.981 82 E CA 0.061 56.422 56.400 -0.066 0.000 0.830 82 E CB -0.143 29.530 29.700 -0.045 0.000 0.775 82 E HN 0.547 nan 8.360 nan 0.000 0.470 83 L N 2.006 123.137 121.223 -0.154 0.000 2.456 83 L HA 0.095 4.476 4.340 0.069 0.000 0.272 83 L C 0.911 177.755 176.870 -0.043 0.000 1.189 83 L CA -0.177 54.592 54.840 -0.118 0.000 0.846 83 L CB 0.211 42.179 42.059 -0.151 0.000 1.111 83 L HN 0.057 nan 8.230 nan 0.000 0.475 84 R N 1.928 122.501 120.500 0.121 0.000 2.738 84 R HA -0.001 4.380 4.340 0.069 0.000 0.268 84 R C 1.071 177.447 176.300 0.126 0.000 1.062 84 R CA -0.542 55.650 56.100 0.152 0.000 1.158 84 R CB 0.535 30.994 30.300 0.264 0.000 1.046 84 R HN 0.615 nan 8.270 nan 0.000 0.493 85 N N 2.088 120.827 118.700 0.064 0.000 2.049 85 N HA -0.241 4.541 4.740 0.069 0.000 0.198 85 N C 0.929 176.483 175.510 0.072 0.000 1.030 85 N CA 2.110 55.199 53.050 0.064 0.000 0.870 85 N CB -0.420 38.081 38.487 0.024 0.000 1.045 85 N HN 0.581 nan 8.380 nan 0.000 0.434 86 D N -0.115 120.263 120.400 -0.038 0.000 2.133 86 D HA -0.203 4.479 4.640 0.069 0.000 0.192 86 D C 1.925 178.101 176.300 -0.208 0.000 1.001 86 D CA 1.339 55.230 54.000 -0.182 0.000 0.844 86 D CB -0.591 39.960 40.800 -0.415 0.000 0.944 86 D HN 0.439 nan 8.370 nan 0.000 0.447 87 Y N 1.361 121.691 120.300 0.050 0.000 2.314 87 Y HA -0.072 4.520 4.550 0.069 0.000 0.293 87 Y C 2.704 178.629 175.900 0.041 0.000 1.129 87 Y CA 0.668 58.791 58.100 0.038 0.000 1.201 87 Y CB -0.419 38.042 38.460 0.002 0.000 0.999 87 Y HN 0.027 nan 8.280 nan 0.000 0.541 88 Q N -0.434 119.443 119.800 0.128 0.000 2.046 88 Q HA -0.151 4.231 4.340 0.069 0.000 0.200 88 Q C 2.393 178.564 176.000 0.284 0.000 0.975 88 Q CA 1.825 57.675 55.803 0.079 0.000 0.836 88 Q CB -0.289 28.458 28.738 0.015 0.000 0.896 88 Q HN 0.371 nan 8.270 nan 0.000 0.428 89 S N 1.025 116.939 115.700 0.357 0.000 2.368 89 S HA -0.129 4.382 4.470 0.069 0.000 0.225 89 S C 1.770 176.471 174.600 0.169 0.000 1.030 89 S CA 1.161 59.559 58.200 0.331 0.000 0.999 89 S CB -0.104 63.277 63.200 0.300 0.000 0.844 89 S HN 0.268 nan 8.310 nan 0.000 0.459 90 K N 0.523 120.995 120.400 0.119 0.000 2.057 90 K HA -0.012 4.350 4.320 0.069 0.000 0.207 90 K C 2.067 178.734 176.600 0.112 0.000 1.049 90 K CA 0.852 57.195 56.287 0.093 0.000 0.931 90 K CB -0.313 32.227 32.500 0.066 0.000 0.714 90 K HN 0.151 nan 8.250 nan 0.000 0.440 91 L N 0.902 122.212 121.223 0.145 0.000 2.056 91 L HA -0.138 4.243 4.340 0.069 0.000 0.207 91 L C 2.051 178.953 176.870 0.054 0.000 1.078 91 L CA 1.354 56.272 54.840 0.131 0.000 0.749 91 L CB -0.260 41.930 42.059 0.218 0.000 0.901 91 L HN -0.102 nan 8.230 nan 0.000 0.433 92 V N -0.646 119.280 119.914 0.019 0.000 2.343 92 V HA -0.280 3.881 4.120 0.069 0.000 0.247 92 V C 2.458 178.533 176.094 -0.032 0.000 1.051 92 V CA 1.657 63.892 62.300 -0.108 0.000 1.036 92 V CB -0.598 31.075 31.823 -0.250 0.000 0.654 92 V HN 0.470 nan 8.190 nan 0.000 0.451 93 L N 0.600 121.843 121.223 0.033 0.000 1.989 93 L HA -0.202 4.179 4.340 0.069 0.000 0.211 93 L C 2.573 179.468 176.870 0.042 0.000 1.071 93 L CA 2.403 57.275 54.840 0.053 0.000 0.749 93 L CB -0.815 41.291 42.059 0.079 0.000 0.890 93 L HN 0.261 nan 8.230 nan 0.000 0.431 94 R N -0.447 120.080 120.500 0.044 0.000 2.117 94 R HA -0.155 4.227 4.340 0.069 0.000 0.243 94 R C 2.155 178.436 176.300 -0.031 0.000 1.143 94 R CA 1.894 58.007 56.100 0.021 0.000 0.968 94 R CB -0.797 29.510 30.300 0.012 0.000 0.863 94 R HN 0.533 nan 8.270 nan 0.000 0.444 95 L N -0.354 120.844 121.223 -0.043 0.000 2.217 95 L HA -0.065 4.316 4.340 0.069 0.000 0.211 95 L C 2.178 179.017 176.870 -0.052 0.000 1.107 95 L CA 0.693 55.491 54.840 -0.070 0.000 0.783 95 L CB -0.274 41.720 42.059 -0.108 0.000 0.919 95 L HN 0.236 nan 8.230 nan 0.000 0.442 96 L N -0.117 121.089 121.223 -0.029 0.000 2.056 96 L HA -0.228 4.153 4.340 0.069 0.000 0.207 96 L C 2.668 179.544 176.870 0.010 0.000 1.078 96 L CA 1.030 55.864 54.840 -0.009 0.000 0.749 96 L CB -0.347 41.720 42.059 0.013 0.000 0.901 96 L HN 0.185 nan 8.230 nan 0.000 0.433 97 K N 0.399 120.815 120.400 0.025 0.000 2.063 97 K HA -0.216 4.145 4.320 0.069 0.000 0.208 97 K C 1.935 178.549 176.600 0.024 0.000 1.048 97 K CA 1.485 57.803 56.287 0.051 0.000 0.928 97 K CB -0.132 32.421 32.500 0.087 0.000 0.713 97 K HN 0.110 nan 8.250 nan 0.000 0.442 98 E N 0.365 120.552 120.200 -0.021 0.000 2.265 98 E HA -0.128 4.263 4.350 0.069 0.000 0.196 98 E C 0.793 177.384 176.600 -0.014 0.000 0.996 98 E CA 0.932 57.311 56.400 -0.034 0.000 0.832 98 E CB -0.304 29.357 29.700 -0.066 0.000 0.756 98 E HN 0.429 nan 8.360 nan 0.000 0.491 99 N N -0.616 118.078 118.700 -0.009 0.000 2.314 99 N HA 0.127 4.909 4.740 0.069 0.000 0.200 99 N C 0.787 176.306 175.510 0.014 0.000 1.135 99 N CA 0.688 53.736 53.050 -0.004 0.000 0.835 99 N CB 0.983 39.462 38.487 -0.015 0.000 0.989 99 N HN 0.198 nan 8.380 nan 0.000 0.478 100 G N 0.298 109.116 108.800 0.031 0.000 2.157 100 G HA2 -0.257 3.744 3.960 0.069 0.000 0.248 100 G HA3 -0.257 3.744 3.960 0.069 0.000 0.248 100 G C 0.033 174.966 174.900 0.055 0.000 0.979 100 G CA -0.324 44.806 45.100 0.051 0.000 0.650 100 G HN 0.342 nan 8.290 nan 0.000 0.529 101 I N 2.079 122.677 120.570 0.047 0.000 2.317 101 I HA 0.526 4.737 4.170 0.069 0.000 0.286 101 I C 0.948 177.104 176.117 0.066 0.000 1.119 101 I CA 0.195 61.525 61.300 0.049 0.000 1.228 101 I CB 0.398 38.419 38.000 0.034 0.000 1.476 101 I HN 0.223 nan 8.210 nan 0.000 0.514 102 G N 2.935 111.787 108.800 0.086 0.000 2.680 102 G HA2 0.327 4.329 3.960 0.069 0.000 0.290 102 G HA3 0.327 4.329 3.960 0.069 0.000 0.290 102 G C 0.249 175.212 174.900 0.106 0.000 1.355 102 G CA -0.335 44.830 45.100 0.108 0.000 0.903 102 G HN 0.485 nan 8.290 nan 0.000 0.474 103 E N -0.756 119.508 120.200 0.107 0.000 2.130 103 E HA -0.258 4.133 4.350 0.069 0.000 0.196 103 E C 1.704 178.369 176.600 0.109 0.000 0.998 103 E CA 1.621 58.076 56.400 0.091 0.000 0.806 103 E CB -0.141 29.609 29.700 0.083 0.000 0.738 103 E HN 0.544 nan 8.360 nan 0.000 0.459 104 Y N 2.098 122.414 120.300 0.026 0.000 2.070 104 Y HA -0.269 4.323 4.550 0.069 0.000 0.280 104 Y C 1.929 177.843 175.900 0.023 0.000 1.148 104 Y CA 2.153 60.266 58.100 0.021 0.000 1.125 104 Y CB -0.254 38.220 38.460 0.023 0.000 0.975 104 Y HN -0.076 nan 8.280 nan 0.000 0.492 105 E N 0.310 120.457 120.200 -0.088 0.000 2.031 105 E HA -0.179 4.212 4.350 0.069 0.000 0.193 105 E C 2.041 178.570 176.600 -0.120 0.000 0.994 105 E CA 1.681 57.974 56.400 -0.179 0.000 0.800 105 E CB -0.683 29.016 29.700 -0.003 0.000 0.752 105 E HN 0.385 nan 8.360 nan 0.000 0.447 106 L N 0.596 121.801 121.223 -0.031 0.000 2.191 106 L HA -0.129 4.253 4.340 0.069 0.000 0.212 106 L C 2.161 179.020 176.870 -0.019 0.000 1.103 106 L CA 1.383 56.221 54.840 -0.004 0.000 0.769 106 L CB -0.461 41.615 42.059 0.028 0.000 0.908 106 L HN 0.024 nan 8.230 nan 0.000 0.438 107 S N -0.999 114.673 115.700 -0.046 0.000 2.383 107 S HA -0.170 4.342 4.470 0.069 0.000 0.227 107 S C 1.997 176.549 174.600 -0.080 0.000 1.026 107 S CA 1.076 59.247 58.200 -0.049 0.000 0.981 107 S CB -0.064 63.115 63.200 -0.035 0.000 0.818 107 S HN 0.364 nan 8.310 nan 0.000 0.472 108 K N 0.761 121.068 120.400 -0.156 0.000 2.155 108 K HA 0.119 4.481 4.320 0.069 0.000 0.203 108 K C 1.867 178.393 176.600 -0.123 0.000 1.052 108 K CA 0.695 56.877 56.287 -0.174 0.000 0.948 108 K CB -0.146 32.178 32.500 -0.294 0.000 0.728 108 K HN 0.272 nan 8.250 nan 0.000 0.448 109 L N 0.482 121.661 121.223 -0.073 0.000 2.056 109 L HA -0.182 4.199 4.340 0.069 0.000 0.207 109 L C 2.310 179.217 176.870 0.062 0.000 1.078 109 L CA 0.556 55.392 54.840 -0.006 0.000 0.749 109 L CB -0.483 41.626 42.059 0.083 0.000 0.901 109 L HN 0.193 nan 8.230 nan 0.000 0.433 110 L N 0.349 121.628 121.223 0.094 0.000 1.990 110 L HA -0.228 4.153 4.340 0.069 0.000 0.213 110 L C 2.579 179.503 176.870 0.090 0.000 1.072 110 L CA 1.808 56.740 54.840 0.154 0.000 0.755 110 L CB -0.524 41.566 42.059 0.051 0.000 0.889 110 L HN 0.100 nan 8.230 nan 0.000 0.432 111 R N -0.430 120.063 120.500 -0.013 0.000 2.377 111 R HA -0.117 4.265 4.340 0.069 0.000 0.207 111 R C 1.883 178.102 176.300 -0.136 0.000 1.075 111 R CA 0.665 56.743 56.100 -0.037 0.000 1.035 111 R CB -0.252 30.028 30.300 -0.034 0.000 0.857 111 R HN 0.487 nan 8.270 nan 0.000 0.475 112 K N -0.608 119.594 120.400 -0.329 0.000 2.305 112 K HA -0.006 4.356 4.320 0.069 0.000 0.199 112 K C 0.749 176.917 176.600 -0.720 0.000 1.047 112 K CA 0.913 56.824 56.287 -0.626 0.000 0.976 112 K CB 0.308 32.196 32.500 -1.020 0.000 0.765 112 K HN 0.130 nan 8.250 nan 0.000 0.474 113 F N -0.547 119.402 119.950 -0.001 0.000 2.711 113 F HA 0.237 4.805 4.527 0.069 0.000 0.296 113 F C 0.630 176.441 175.800 0.019 0.000 1.096 113 F CA -0.561 57.440 58.000 0.002 0.000 1.280 113 F CB 0.516 39.508 39.000 -0.013 0.000 1.060 113 F HN -0.281 nan 8.300 nan 0.000 0.608 114 R N 1.897 122.505 120.500 0.181 0.000 2.415 114 R HA 0.331 4.713 4.340 0.069 0.000 0.292 114 R C -1.033 175.358 176.300 0.152 0.000 1.295 114 R CA -0.456 55.737 56.100 0.155 0.000 1.137 114 R CB 0.235 30.598 30.300 0.104 0.000 1.135 114 R HN -0.028 nan 8.270 nan 0.000 0.560 115 K N 3.688 124.188 120.400 0.167 0.000 2.154 115 K HA 0.360 4.722 4.320 0.069 0.000 0.264 115 K C -2.254 174.464 176.600 0.196 0.000 1.008 115 K CA -1.788 54.574 56.287 0.126 0.000 0.937 115 K CB 0.581 33.119 32.500 0.063 0.000 1.002 115 K HN 0.315 nan 8.250 nan 0.000 0.469 116 P HA 0.032 nan 4.420 nan 0.000 0.267 116 P C -1.091 176.219 177.300 0.017 0.000 1.205 116 P CA 0.095 63.274 63.100 0.131 0.000 0.765 116 P CB 0.535 32.285 31.700 0.084 0.000 0.828 117 K N 1.546 121.911 120.400 -0.059 0.000 2.270 117 K HA 0.487 4.849 4.320 0.069 0.000 0.255 117 K C -0.479 175.948 176.600 -0.289 0.000 0.936 117 K CA -0.597 55.474 56.287 -0.360 0.000 0.809 117 K CB 1.233 33.193 32.500 -0.901 0.000 1.131 117 K HN 0.371 nan 8.250 nan 0.000 0.427 118 T N 2.308 116.622 114.554 -0.401 0.000 2.837 118 T HA 0.542 4.933 4.350 0.069 0.000 0.285 118 T C -1.034 173.374 174.700 -0.485 0.000 0.984 118 T CA -0.428 61.528 62.100 -0.241 0.000 1.049 118 T CB 0.166 68.951 68.868 -0.139 0.000 0.947 118 T HN 0.345 nan 8.240 nan 0.000 0.472 119 F N 3.445 123.413 119.950 0.030 0.000 2.539 119 F HA 0.603 5.171 4.527 0.069 0.000 0.328 119 F C 1.235 177.102 175.800 0.111 0.000 1.148 119 F CA 0.026 58.054 58.000 0.047 0.000 0.940 119 F CB 1.671 40.700 39.000 0.047 0.000 1.194 119 F HN 1.113 nan 8.300 nan 0.000 0.438 120 G N 2.983 111.905 108.800 0.204 0.000 2.611 120 G HA2 -0.326 3.676 3.960 0.069 0.000 0.301 120 G HA3 -0.326 3.676 3.960 0.069 0.000 0.301 120 G C 0.538 175.495 174.900 0.096 0.000 1.233 120 G CA 0.550 45.748 45.100 0.163 0.000 0.993 120 G HN 0.573 nan 8.290 nan 0.000 0.553 121 D N 0.480 120.905 120.400 0.042 0.000 2.328 121 D HA 0.249 4.930 4.640 0.069 0.000 0.226 121 D C 0.243 176.355 176.300 -0.314 0.000 1.066 121 D CA 0.658 54.553 54.000 -0.175 0.000 0.861 121 D CB 0.055 40.670 40.800 -0.308 0.000 0.912 121 D HN 0.316 nan 8.370 nan 0.000 0.521 122 Y N 0.387 120.762 120.300 0.125 0.000 2.487 122 Y HA 0.349 4.940 4.550 0.069 0.000 0.337 122 Y C 0.620 176.616 175.900 0.160 0.000 1.076 122 Y CA -0.914 57.278 58.100 0.153 0.000 1.115 122 Y CB 1.793 40.364 38.460 0.184 0.000 1.235 122 Y HN -0.437 nan 8.280 nan 0.000 0.468 123 K N 1.279 121.872 120.400 0.321 0.000 2.324 123 K HA 0.689 5.050 4.320 0.069 0.000 0.253 123 K C -1.917 174.857 176.600 0.290 0.000 0.932 123 K CA -0.679 55.751 56.287 0.237 0.000 0.799 123 K CB 1.553 34.137 32.500 0.140 0.000 1.154 123 K HN 0.520 nan 8.250 nan 0.000 0.425 124 V N 6.101 126.199 119.914 0.307 0.000 2.350 124 V HA 0.362 4.524 4.120 0.069 0.000 0.276 124 V C -0.158 176.131 176.094 0.324 0.000 1.028 124 V CA -0.647 61.860 62.300 0.345 0.000 0.860 124 V CB 0.970 33.065 31.823 0.453 0.000 0.990 124 V HN 0.642 nan 8.190 nan 0.000 0.453 125 I N 7.861 128.596 120.570 0.276 0.000 2.328 125 I HA 0.390 4.602 4.170 0.069 0.000 0.287 125 I C -2.535 173.685 176.117 0.171 0.000 1.012 125 I CA -1.941 59.482 61.300 0.206 0.000 1.195 125 I CB 2.015 40.102 38.000 0.146 0.000 1.350 125 I HN 0.400 nan 8.210 nan 0.000 0.464 126 P HA 0.328 nan 4.420 nan 0.000 0.282 126 P C -0.794 176.462 177.300 -0.073 0.000 1.249 126 P CA -0.286 62.772 63.100 -0.069 0.000 0.806 126 P CB 1.417 33.102 31.700 -0.025 0.000 0.984 127 S N 0.594 116.206 115.700 -0.147 0.000 2.636 127 S HA 0.700 5.212 4.470 0.069 0.000 0.268 127 S C -0.781 173.750 174.600 -0.114 0.000 1.159 127 S CA -0.784 57.367 58.200 -0.081 0.000 0.815 127 S CB 0.745 63.927 63.200 -0.030 0.000 1.130 127 S HN 0.308 nan 8.310 nan 0.000 0.471 128 V N -1.287 118.592 119.914 -0.059 0.000 2.815 128 V HA 0.853 5.014 4.120 0.069 0.000 0.314 128 V C -0.472 175.618 176.094 -0.007 0.000 1.064 128 V CA -0.676 61.594 62.300 -0.050 0.000 0.952 128 V CB 1.402 33.223 31.823 -0.004 0.000 1.020 128 V HN 1.176 nan 8.190 nan 0.000 0.439 129 E N 3.554 123.760 120.200 0.011 0.000 2.133 129 E HA 0.656 5.048 4.350 0.069 0.000 0.274 129 E C -1.036 175.626 176.600 0.103 0.000 0.930 129 E CA -0.748 55.691 56.400 0.065 0.000 0.770 129 E CB 1.650 31.411 29.700 0.100 0.000 1.104 129 E HN 0.830 nan 8.360 nan 0.000 0.403 130 M N 3.031 122.684 119.600 0.089 0.000 2.456 130 M HA 0.395 4.917 4.480 0.069 0.000 0.324 130 M C -0.824 175.531 176.300 0.092 0.000 1.124 130 M CA -0.541 54.816 55.300 0.094 0.000 0.959 130 M CB 2.285 34.936 32.600 0.084 0.000 1.692 130 M HN 0.663 nan 8.290 nan 0.000 0.444 131 S N 1.210 116.970 115.700 0.100 0.000 2.596 131 S HA 0.837 5.349 4.470 0.069 0.000 0.270 131 S C -1.411 173.260 174.600 0.118 0.000 1.155 131 S CA -0.914 57.346 58.200 0.100 0.000 0.827 131 S CB 1.571 64.829 63.200 0.097 0.000 1.130 131 S HN 0.425 nan 8.310 nan 0.000 0.467 132 V N 1.608 121.602 119.914 0.133 0.000 2.513 132 V HA 0.609 4.770 4.120 0.069 0.000 0.299 132 V C -0.669 175.546 176.094 0.201 0.000 1.035 132 V CA -0.670 61.739 62.300 0.182 0.000 0.889 132 V CB 1.391 33.337 31.823 0.205 0.000 0.988 132 V HN 0.862 nan 8.190 nan 0.000 0.440 133 I N 3.856 124.568 120.570 0.236 0.000 2.466 133 I HA 0.435 4.647 4.170 0.069 0.000 0.289 133 I C -0.217 176.039 176.117 0.232 0.000 1.026 133 I CA -0.668 60.756 61.300 0.207 0.000 1.078 133 I CB 1.957 40.051 38.000 0.158 0.000 1.249 133 I HN 0.530 nan 8.210 nan 0.000 0.429 134 K N 5.425 125.895 120.400 0.117 0.000 2.276 134 K HA 0.295 4.656 4.320 0.069 0.000 0.285 134 K C -1.065 175.550 176.600 0.025 0.000 1.062 134 K CA -0.335 55.876 56.287 -0.126 0.000 0.918 134 K CB 0.619 32.901 32.500 -0.363 0.000 1.055 134 K HN 0.560 nan 8.250 nan 0.000 0.477 135 H N 3.280 122.345 119.070 -0.009 0.000 2.800 135 H HA 0.163 4.761 4.556 0.069 0.000 0.322 135 H C -1.444 173.892 175.328 0.014 0.000 0.979 135 H CA -0.236 55.822 56.048 0.016 0.000 1.277 135 H CB 0.725 30.478 29.762 -0.015 0.000 1.484 135 H HN 0.806 nan 8.280 nan 0.000 0.512 136 D N 4.564 124.714 120.400 -0.417 0.000 3.301 136 D HA -0.249 4.433 4.640 0.069 0.000 0.220 136 D C 0.550 176.762 176.300 -0.147 0.000 1.173 136 D CA 1.782 55.598 54.000 -0.307 0.000 0.974 136 D CB -0.264 40.295 40.800 -0.402 0.000 0.853 136 D HN 0.939 nan 8.370 nan 0.000 0.396 137 E N -1.283 118.829 120.200 -0.148 0.000 3.449 137 E HA -0.362 4.030 4.350 0.069 0.000 0.289 137 E C -0.591 175.931 176.600 -0.131 0.000 0.870 137 E CA 1.810 58.145 56.400 -0.108 0.000 0.946 137 E CB -0.715 28.968 29.700 -0.028 0.000 1.476 137 E HN 0.549 nan 8.360 nan 0.000 0.466 138 D N -0.433 119.876 120.400 -0.152 0.000 2.342 138 D HA 0.474 5.156 4.640 0.069 0.000 0.243 138 D C -0.626 175.499 176.300 -0.291 0.000 1.019 138 D CA -0.521 53.404 54.000 -0.125 0.000 0.864 138 D CB 0.846 41.648 40.800 0.004 0.000 1.315 138 D HN -0.044 nan 8.370 nan 0.000 0.468 139 F N 1.137 121.026 119.950 -0.102 0.000 2.443 139 F HA 0.390 4.958 4.527 0.069 0.000 0.335 139 F C -0.182 175.437 175.800 -0.301 0.000 1.104 139 F CA -0.675 57.302 58.000 -0.038 0.000 1.013 139 F CB 1.037 40.044 39.000 0.012 0.000 1.136 139 F HN 0.162 nan 8.300 nan 0.000 0.470 140 Y N 2.637 123.054 120.300 0.194 0.000 2.462 140 Y HA 0.549 5.140 4.550 0.069 0.000 0.346 140 Y C -0.758 175.206 175.900 0.106 0.000 0.976 140 Y CA -1.183 56.983 58.100 0.111 0.000 1.044 140 Y CB 1.974 40.459 38.460 0.042 0.000 1.230 140 Y HN 0.430 nan 8.280 nan 0.000 0.455 141 L N 3.672 125.021 121.223 0.210 0.000 2.264 141 L HA 0.644 5.025 4.340 0.069 0.000 0.289 141 L C -1.168 175.783 176.870 0.137 0.000 1.044 141 L CA -0.444 54.486 54.840 0.150 0.000 0.807 141 L CB 0.764 42.885 42.059 0.103 0.000 1.192 141 L HN 0.446 nan 8.230 nan 0.000 0.425 142 V N 7.013 126.998 119.914 0.118 0.000 2.406 142 V HA 0.368 4.529 4.120 0.069 0.000 0.272 142 V C 0.253 176.410 176.094 0.106 0.000 1.043 142 V CA -0.259 62.094 62.300 0.089 0.000 0.915 142 V CB 1.051 32.916 31.823 0.069 0.000 0.988 142 V HN 0.579 nan 8.190 nan 0.000 0.466 143 I N 5.024 125.663 120.570 0.114 0.000 2.390 143 I HA 0.365 4.577 4.170 0.069 0.000 0.283 143 I C -0.643 175.587 176.117 0.188 0.000 1.016 143 I CA -0.499 60.878 61.300 0.128 0.000 1.151 143 I CB 1.050 39.113 38.000 0.105 0.000 1.293 143 I HN 0.656 nan 8.210 nan 0.000 0.458 144 H N 7.176 126.281 119.070 0.058 0.000 2.511 144 H HA 0.523 5.121 4.556 0.069 0.000 0.328 144 H C -0.753 174.595 175.328 0.033 0.000 1.044 144 H CA -0.559 55.523 56.048 0.058 0.000 1.212 144 H CB 1.128 30.914 29.762 0.039 0.000 1.428 144 H HN 0.458 nan 8.280 nan 0.000 0.483 145 I N 7.525 127.982 120.570 -0.189 0.000 2.471 145 I HA 0.147 4.359 4.170 0.069 0.000 0.286 145 I C 0.404 176.199 176.117 -0.536 0.000 1.079 145 I CA 0.013 61.133 61.300 -0.299 0.000 1.398 145 I CB 0.087 37.994 38.000 -0.156 0.000 1.403 145 I HN 0.558 nan 8.210 nan 0.000 0.530 146 I N 2.764 123.045 120.570 -0.481 0.000 3.239 146 I HA 0.656 4.868 4.170 0.069 0.000 0.314 146 I C -1.291 174.544 176.117 -0.470 0.000 1.126 146 I CA -0.929 60.150 61.300 -0.369 0.000 0.973 146 I CB 2.408 40.277 38.000 -0.218 0.000 1.252 146 I HN 0.409 nan 8.210 nan 0.000 0.463 147 H N 0.203 119.265 119.070 -0.014 0.000 2.851 147 H HA 0.677 5.275 4.556 0.069 0.000 0.372 147 H C -1.390 173.984 175.328 0.075 0.000 1.158 147 H CA -0.634 55.442 56.048 0.047 0.000 1.159 147 H CB 1.821 31.624 29.762 0.069 0.000 1.757 147 H HN 0.460 nan 8.280 nan 0.000 0.546 148 Q N 1.049 120.985 119.800 0.227 0.000 2.342 148 Q HA 0.564 4.945 4.340 0.069 0.000 0.267 148 Q C -0.845 175.296 176.000 0.235 0.000 1.038 148 Q CA -0.430 55.492 55.803 0.198 0.000 0.832 148 Q CB 2.478 31.307 28.738 0.153 0.000 1.323 148 Q HN 0.546 nan 8.270 nan 0.000 0.448 149 I N 1.884 122.608 120.570 0.257 0.000 2.359 149 I HA 0.309 4.521 4.170 0.069 0.000 0.284 149 I C -0.513 175.830 176.117 0.376 0.000 1.018 149 I CA -0.590 60.886 61.300 0.293 0.000 1.173 149 I CB 1.298 39.425 38.000 0.212 0.000 1.326 149 I HN 0.417 nan 8.210 nan 0.000 0.462 150 Q N 5.188 125.192 119.800 0.339 0.000 2.316 150 Q HA 0.378 4.759 4.340 0.069 0.000 0.264 150 Q C -0.453 175.743 176.000 0.327 0.000 0.987 150 Q CA -0.503 55.478 55.803 0.295 0.000 0.852 150 Q CB 2.026 30.873 28.738 0.182 0.000 1.287 150 Q HN 0.649 nan 8.270 nan 0.000 0.448 151 S N 3.840 119.713 115.700 0.288 0.000 2.549 151 S HA 0.073 4.585 4.470 0.069 0.000 0.283 151 S C 1.085 175.648 174.600 -0.062 0.000 1.320 151 S CA -0.329 57.845 58.200 -0.044 0.000 1.058 151 S CB 0.461 63.604 63.200 -0.095 0.000 0.882 151 S HN 0.820 nan 8.310 nan 0.000 0.498 152 M N 3.174 122.685 119.600 -0.149 0.000 2.506 152 M HA 0.196 4.717 4.480 0.069 0.000 0.260 152 M C 0.438 176.686 176.300 -0.087 0.000 1.104 152 M CA 1.000 56.251 55.300 -0.081 0.000 1.112 152 M CB -0.789 31.765 32.600 -0.077 0.000 1.401 152 M HN 0.546 nan 8.290 nan 0.000 0.473 153 K N 0.711 121.034 120.400 -0.128 0.000 2.156 153 K HA 0.322 4.683 4.320 0.069 0.000 0.254 153 K C 0.266 176.834 176.600 -0.054 0.000 0.950 153 K CA -0.399 55.834 56.287 -0.091 0.000 0.849 153 K CB 1.529 33.957 32.500 -0.120 0.000 1.100 153 K HN 0.133 nan 8.250 nan 0.000 0.434 154 T N -0.566 113.991 114.554 0.005 0.000 2.856 154 T HA -0.002 4.389 4.350 0.069 0.000 0.306 154 T C 1.263 175.971 174.700 0.014 0.000 1.062 154 T CA -0.668 61.463 62.100 0.052 0.000 1.083 154 T CB 0.507 69.457 68.868 0.136 0.000 0.984 154 T HN 0.488 nan 8.240 nan 0.000 0.542 155 L N 0.948 122.184 121.223 0.023 0.000 2.012 155 L HA 0.005 4.387 4.340 0.069 0.000 0.210 155 L C 2.243 179.141 176.870 0.048 0.000 1.073 155 L CA 1.634 56.450 54.840 -0.039 0.000 0.748 155 L CB -1.197 40.868 42.059 0.011 0.000 0.891 155 L HN 0.873 nan 8.230 nan 0.000 0.431 156 W N 0.327 121.582 121.300 -0.074 0.000 2.335 156 W HA -0.231 4.471 4.660 0.069 0.000 0.311 156 W C 2.306 178.797 176.519 -0.047 0.000 1.213 156 W CA 1.467 58.786 57.345 -0.044 0.000 1.274 156 W CB 0.137 29.593 29.460 -0.007 0.000 1.148 156 W HN 0.236 nan 8.180 nan 0.000 0.498 157 E N 0.695 120.914 120.200 0.031 0.000 2.051 157 E HA -0.258 4.133 4.350 0.069 0.000 0.192 157 E C 2.181 178.687 176.600 -0.156 0.000 0.991 157 E CA 1.326 57.668 56.400 -0.097 0.000 0.799 157 E CB -1.131 28.553 29.700 -0.026 0.000 0.748 157 E HN 0.404 nan 8.360 nan 0.000 0.449 158 L N 1.091 122.227 121.223 -0.144 0.000 2.089 158 L HA -0.177 4.204 4.340 0.069 0.000 0.213 158 L C 1.970 178.722 176.870 -0.197 0.000 1.079 158 L CA 1.470 56.199 54.840 -0.185 0.000 0.758 158 L CB -0.002 41.896 42.059 -0.269 0.000 0.891 158 L HN 0.062 nan 8.230 nan 0.000 0.433 159 V N -3.003 116.767 119.914 -0.241 0.000 3.331 159 V HA 0.221 4.383 4.120 0.069 0.000 0.332 159 V C 0.394 176.321 176.094 -0.278 0.000 1.341 159 V CA -0.264 61.913 62.300 -0.205 0.000 1.218 159 V CB -0.845 30.886 31.823 -0.153 0.000 1.152 159 V HN 0.615 nan 8.190 nan 0.000 0.445 160 N N 2.190 120.708 118.700 -0.302 0.000 2.725 160 N HA -0.229 4.553 4.740 0.069 0.000 0.251 160 N C 0.428 175.622 175.510 -0.526 0.000 1.031 160 N CA 1.252 54.111 53.050 -0.320 0.000 0.720 160 N CB -1.196 37.181 38.487 -0.183 0.000 0.930 160 N HN 0.900 nan 8.380 nan 0.000 0.543 161 K N -1.682 118.104 120.400 -1.023 0.000 3.010 161 K HA -0.258 4.104 4.320 0.069 0.000 0.255 161 K C -0.270 175.675 176.600 -1.092 0.000 0.929 161 K CA 1.358 56.513 56.287 -1.886 0.000 0.687 161 K CB -0.869 31.009 32.500 -1.036 0.000 1.304 161 K HN 0.545 nan 8.250 nan 0.000 0.479 162 D N -0.732 119.264 120.400 -0.674 0.000 2.349 162 D HA 0.218 4.899 4.640 0.069 0.000 0.232 162 D C -1.631 174.671 176.300 0.003 0.000 1.071 162 D CA -2.658 51.217 54.000 -0.208 0.000 0.832 162 D CB 1.525 42.257 40.800 -0.113 0.000 1.086 162 D HN -0.253 nan 8.370 nan 0.000 0.504 163 P HA -0.200 nan 4.420 nan 0.000 0.216 163 P C 0.794 178.244 177.300 0.250 0.000 1.157 163 P CA 1.608 64.937 63.100 0.381 0.000 0.880 163 P CB 0.270 32.203 31.700 0.388 0.000 0.791 164 K N -0.365 120.131 120.400 0.160 0.000 2.002 164 K HA -0.194 4.167 4.320 0.069 0.000 0.209 164 K C 2.237 178.916 176.600 0.132 0.000 1.048 164 K CA 1.499 57.863 56.287 0.129 0.000 0.930 164 K CB -0.527 32.023 32.500 0.084 0.000 0.714 164 K HN 0.171 nan 8.250 nan 0.000 0.438 165 E N 1.220 121.480 120.200 0.100 0.000 2.160 165 E HA -0.219 4.172 4.350 0.069 0.000 0.195 165 E C 2.011 178.715 176.600 0.172 0.000 0.991 165 E CA 0.772 57.236 56.400 0.107 0.000 0.810 165 E CB -0.004 29.719 29.700 0.038 0.000 0.742 165 E HN 0.258 nan 8.360 nan 0.000 0.466 166 L N 0.756 122.088 121.223 0.181 0.000 1.988 166 L HA -0.153 4.229 4.340 0.069 0.000 0.207 166 L C 2.481 179.523 176.870 0.287 0.000 1.071 166 L CA 1.986 56.977 54.840 0.253 0.000 0.744 166 L CB -0.343 41.924 42.059 0.347 0.000 0.893 166 L HN 0.122 nan 8.230 nan 0.000 0.433 167 E N -0.268 120.074 120.200 0.235 0.000 2.160 167 E HA -0.286 4.106 4.350 0.069 0.000 0.195 167 E C 1.929 178.664 176.600 0.224 0.000 0.991 167 E CA 1.499 58.023 56.400 0.207 0.000 0.810 167 E CB -0.043 29.759 29.700 0.169 0.000 0.742 167 E HN 0.639 nan 8.360 nan 0.000 0.466 168 E N -0.558 119.773 120.200 0.217 0.000 2.153 168 E HA -0.174 4.217 4.350 0.069 0.000 0.194 168 E C 1.648 178.392 176.600 0.241 0.000 0.988 168 E CA 0.796 57.311 56.400 0.191 0.000 0.811 168 E CB -0.106 29.692 29.700 0.163 0.000 0.746 168 E HN 0.295 nan 8.360 nan 0.000 0.466 169 F N 1.064 121.122 119.950 0.180 0.000 2.074 169 F HA -0.171 4.397 4.527 0.069 0.000 0.293 169 F C 1.905 177.891 175.800 0.311 0.000 1.116 169 F CA 0.856 59.016 58.000 0.266 0.000 1.212 169 F CB -0.067 39.103 39.000 0.284 0.000 0.998 169 F HN -0.057 nan 8.300 nan 0.000 0.471 170 L N 0.090 121.603 121.223 0.483 0.000 2.129 170 L HA -0.287 4.095 4.340 0.069 0.000 0.212 170 L C 2.267 179.417 176.870 0.466 0.000 1.087 170 L CA 1.761 56.882 54.840 0.468 0.000 0.757 170 L CB -1.646 40.617 42.059 0.340 0.000 0.896 170 L HN 0.341 nan 8.230 nan 0.000 0.434 171 M N -0.770 119.018 119.600 0.313 0.000 2.064 171 M HA -0.170 4.351 4.480 0.069 0.000 0.260 171 M C 2.358 178.659 176.300 0.001 0.000 1.073 171 M CA 2.295 57.710 55.300 0.191 0.000 1.124 171 M CB -0.807 31.881 32.600 0.147 0.000 1.326 171 M HN 0.438 nan 8.290 nan 0.000 0.410 172 T N -1.912 112.581 114.554 -0.102 0.000 2.674 172 T HA -0.182 4.209 4.350 0.069 0.000 0.265 172 T C 1.520 176.030 174.700 -0.316 0.000 1.039 172 T CA 1.283 63.224 62.100 -0.265 0.000 1.150 172 T CB -0.775 67.818 68.868 -0.457 0.000 0.864 172 T HN 0.391 nan 8.240 nan 0.000 0.427 173 H N 1.062 120.044 119.070 -0.147 0.000 2.547 173 H HA 0.304 4.901 4.556 0.069 0.000 0.274 173 H C 2.083 177.417 175.328 0.009 0.000 1.024 173 H CA 0.400 56.392 56.048 -0.093 0.000 1.155 173 H CB -0.086 29.552 29.762 -0.207 0.000 1.344 173 H HN 0.580 nan 8.280 nan 0.000 0.598 174 K N 1.403 121.812 120.400 0.016 0.000 2.089 174 K HA -0.191 4.171 4.320 0.069 0.000 0.210 174 K C 1.404 177.926 176.600 -0.129 0.000 1.048 174 K CA 1.521 57.705 56.287 -0.172 0.000 0.926 174 K CB 0.322 32.422 32.500 -0.667 0.000 0.714 174 K HN 0.100 nan 8.250 nan 0.000 0.448 175 E N 0.321 120.483 120.200 -0.064 0.000 2.204 175 E HA -0.125 4.267 4.350 0.069 0.000 0.194 175 E C 1.114 177.760 176.600 0.076 0.000 0.989 175 E CA 0.951 57.345 56.400 -0.010 0.000 0.824 175 E CB -0.059 29.643 29.700 0.004 0.000 0.756 175 E HN 0.506 nan 8.360 nan 0.000 0.477 176 N N -0.191 118.602 118.700 0.155 0.000 2.168 176 N HA 0.027 4.809 4.740 0.069 0.000 0.216 176 N C 0.331 176.020 175.510 0.298 0.000 1.259 176 N CA -0.271 52.918 53.050 0.232 0.000 0.902 176 N CB 0.799 39.440 38.487 0.258 0.000 1.079 176 N HN 0.072 nan 8.380 nan 0.000 0.507 177 L N 1.859 123.252 121.223 0.283 0.000 2.525 177 L HA 0.172 4.554 4.340 0.069 0.000 0.278 177 L C -0.111 176.799 176.870 0.068 0.000 1.218 177 L CA 0.857 55.774 54.840 0.128 0.000 0.878 177 L CB 0.159 42.360 42.059 0.236 0.000 1.127 177 L HN -0.009 nan 8.230 nan 0.000 0.492 178 M N 5.330 124.887 119.600 -0.073 0.000 2.593 178 M HA 0.522 5.043 4.480 0.069 0.000 0.290 178 M C -1.460 174.847 176.300 0.011 0.000 1.244 178 M CA -0.590 54.719 55.300 0.016 0.000 0.857 178 M CB 2.233 34.840 32.600 0.012 0.000 1.738 178 M HN 0.386 nan 8.290 nan 0.000 0.461 179 L N 1.833 123.119 121.223 0.104 0.000 2.409 179 L HA 0.542 4.924 4.340 0.069 0.000 0.272 179 L C -0.726 176.259 176.870 0.191 0.000 0.980 179 L CA -0.656 54.255 54.840 0.119 0.000 0.826 179 L CB 2.093 44.221 42.059 0.115 0.000 1.268 179 L HN 0.578 nan 8.230 nan 0.000 0.407 180 K N 2.274 122.762 120.400 0.148 0.000 2.211 180 K HA 0.171 4.532 4.320 0.069 0.000 0.275 180 K C -0.711 175.999 176.600 0.182 0.000 1.024 180 K CA -0.607 55.785 56.287 0.174 0.000 0.887 180 K CB 1.266 33.838 32.500 0.119 0.000 1.084 180 K HN 0.458 nan 8.250 nan 0.000 0.463 181 D N 6.182 126.733 120.400 0.253 0.000 2.470 181 D HA 0.031 4.713 4.640 0.069 0.000 0.226 181 D C 1.250 177.656 176.300 0.177 0.000 1.196 181 D CA -0.364 53.759 54.000 0.205 0.000 0.979 181 D CB 0.148 41.143 40.800 0.325 0.000 1.059 181 D HN 0.628 nan 8.370 nan 0.000 0.515 182 I N 0.259 120.921 120.570 0.153 0.000 3.241 182 I HA 0.014 4.225 4.170 0.069 0.000 0.280 182 I C 1.438 177.743 176.117 0.314 0.000 1.320 182 I CA 0.309 61.736 61.300 0.211 0.000 1.413 182 I CB -0.046 38.090 38.000 0.226 0.000 1.060 182 I HN 0.201 nan 8.210 nan 0.000 0.500 183 A N 0.429 123.354 122.820 0.174 0.000 2.308 183 A HA 0.239 4.600 4.320 0.069 0.000 0.217 183 A C 1.178 179.064 177.584 0.503 0.000 1.216 183 A CA 0.078 52.241 52.037 0.209 0.000 0.864 183 A CB -0.065 18.634 19.000 -0.501 0.000 0.902 183 A HN 0.411 nan 8.150 nan 0.000 0.499 184 S N 0.465 116.339 115.700 0.290 0.000 2.451 184 S HA 0.457 4.968 4.470 0.069 0.000 0.301 184 S C -1.554 172.992 174.600 -0.089 0.000 1.116 184 S CA -1.612 56.577 58.200 -0.018 0.000 1.093 184 S CB 1.362 64.569 63.200 0.011 0.000 1.017 184 S HN 0.171 nan 8.310 nan 0.000 0.482 185 P HA -0.065 nan 4.420 nan 0.000 0.225 185 P C 1.065 178.282 177.300 -0.138 0.000 1.148 185 P CA 0.893 63.886 63.100 -0.178 0.000 0.779 185 P CB 0.124 31.592 31.700 -0.386 0.000 0.780 186 L N -1.637 119.464 121.223 -0.202 0.000 2.529 186 L HA 0.128 4.509 4.340 0.069 0.000 0.223 186 L C 0.641 177.485 176.870 -0.044 0.000 1.113 186 L CA 0.103 54.874 54.840 -0.116 0.000 0.861 186 L CB -0.583 41.399 42.059 -0.129 0.000 1.012 186 L HN -0.155 nan 8.230 nan 0.000 0.461 187 K N 0.099 120.503 120.400 0.007 0.000 3.016 187 K HA -0.156 4.205 4.320 0.069 0.000 0.262 187 K C 0.166 176.801 176.600 0.058 0.000 1.043 187 K CA 0.629 56.955 56.287 0.064 0.000 0.761 187 K CB -2.504 30.031 32.500 0.058 0.000 1.230 187 K HN 0.212 nan 8.250 nan 0.000 0.485 188 T N 0.096 114.679 114.554 0.048 0.000 2.933 188 T HA 0.143 4.534 4.350 0.069 0.000 0.306 188 T C 0.653 175.335 174.700 -0.030 0.000 1.045 188 T CA -0.169 61.896 62.100 -0.059 0.000 1.143 188 T CB 0.673 69.460 68.868 -0.135 0.000 1.003 188 T HN 0.043 nan 8.240 nan 0.000 0.540 189 V N 4.170 123.992 119.914 -0.153 0.000 2.472 189 V HA 0.473 4.635 4.120 0.069 0.000 0.290 189 V C -0.633 175.360 176.094 -0.168 0.000 1.037 189 V CA -0.637 61.646 62.300 -0.030 0.000 0.908 189 V CB 0.635 32.458 31.823 -0.001 0.000 0.985 189 V HN 0.790 nan 8.190 nan 0.000 0.454 190 Y N 2.224 122.572 120.300 0.079 0.000 2.662 190 Y HA 0.613 5.204 4.550 0.069 0.000 0.335 190 Y C 0.157 176.088 175.900 0.051 0.000 1.066 190 Y CA -1.196 56.946 58.100 0.069 0.000 1.116 190 Y CB 1.952 40.433 38.460 0.035 0.000 1.308 190 Y HN 0.353 nan 8.280 nan 0.000 0.502 191 K N 2.899 123.429 120.400 0.216 0.000 2.450 191 K HA 0.347 4.708 4.320 0.069 0.000 0.257 191 K C -2.913 173.770 176.600 0.138 0.000 0.953 191 K CA -2.089 54.296 56.287 0.163 0.000 0.844 191 K CB 1.733 34.314 32.500 0.135 0.000 1.103 191 K HN 0.265 nan 8.250 nan 0.000 0.429 192 P HA 0.003 nan 4.420 nan 0.000 0.268 192 P C -0.276 177.018 177.300 -0.010 0.000 1.205 192 P CA -0.309 62.800 63.100 0.014 0.000 0.771 192 P CB 0.562 32.262 31.700 0.000 0.000 0.858 193 C N 3.356 122.537 119.300 -0.199 0.000 2.466 193 C HA 0.536 5.038 4.460 0.069 0.000 0.379 193 C C 0.253 175.018 174.990 -0.375 0.000 1.251 193 C CA 0.081 59.020 59.018 -0.132 0.000 2.263 193 C CB -0.968 26.685 27.740 -0.145 0.000 2.511 193 C HN 0.462 nan 8.230 nan 0.000 0.573 194 F N 0.629 120.563 119.950 -0.027 0.000 2.565 194 F HA 0.297 4.865 4.527 0.069 0.000 0.313 194 F C 0.327 176.100 175.800 -0.046 0.000 1.091 194 F CA -0.683 57.306 58.000 -0.018 0.000 0.915 194 F CB 0.994 39.992 39.000 -0.003 0.000 1.208 194 F HN 0.539 nan 8.300 nan 0.000 0.453 195 E N 2.700 122.967 120.200 0.111 0.000 2.463 195 E HA -0.019 4.372 4.350 0.069 0.000 0.248 195 E C -0.396 176.208 176.600 0.007 0.000 1.106 195 E CA 0.158 56.580 56.400 0.036 0.000 0.946 195 E CB 0.055 29.779 29.700 0.039 0.000 0.971 195 E HN 0.523 nan 8.360 nan 0.000 0.478 196 E N 2.228 122.363 120.200 -0.108 0.000 3.142 196 E HA -0.242 4.149 4.350 0.069 0.000 0.276 196 E C -0.509 175.928 176.600 -0.271 0.000 0.887 196 E CA 0.743 56.935 56.400 -0.346 0.000 0.975 196 E CB -0.018 29.308 29.700 -0.623 0.000 0.937 196 E HN 0.498 nan 8.360 nan 0.000 0.516 197 Y N -1.414 118.886 120.300 -0.001 0.000 4.177 197 Y HA -0.275 4.317 4.550 0.069 0.000 0.227 197 Y C 0.111 176.005 175.900 -0.010 0.000 1.154 197 Y CA 1.139 59.224 58.100 -0.025 0.000 1.887 197 Y CB -2.568 35.851 38.460 -0.068 0.000 1.594 197 Y HN 0.438 nan 8.280 nan 0.000 0.668 198 T N -1.977 112.645 114.554 0.114 0.000 2.843 198 T HA 0.466 4.857 4.350 0.069 0.000 0.302 198 T C 0.651 175.413 174.700 0.102 0.000 1.232 198 T CA -1.128 61.033 62.100 0.102 0.000 1.009 198 T CB 2.237 71.168 68.868 0.105 0.000 1.254 198 T HN 0.047 nan 8.240 nan 0.000 0.504 199 K N 0.102 120.562 120.400 0.101 0.000 2.374 199 K HA 0.186 4.548 4.320 0.069 0.000 0.196 199 K C 0.616 177.383 176.600 0.278 0.000 1.023 199 K CA -0.062 56.289 56.287 0.107 0.000 1.103 199 K CB 0.477 33.010 32.500 0.055 0.000 0.848 199 K HN 0.239 nan 8.250 nan 0.000 0.528 200 K N 3.676 124.221 120.400 0.241 0.000 2.338 200 K HA 0.097 4.458 4.320 0.069 0.000 0.290 200 K C -2.439 174.286 176.600 0.209 0.000 1.069 200 K CA -1.978 54.431 56.287 0.202 0.000 0.941 200 K CB 0.580 33.151 32.500 0.117 0.000 1.023 200 K HN -0.106 nan 8.250 nan 0.000 0.477 201 P HA 0.079 nan 4.420 nan 0.000 0.281 201 P C -1.171 176.001 177.300 -0.213 0.000 1.252 201 P CA -0.239 62.649 63.100 -0.354 0.000 0.778 201 P CB 0.814 32.282 31.700 -0.386 0.000 0.895 202 K N 3.458 123.700 120.400 -0.264 0.000 2.419 202 K HA 0.217 4.579 4.320 0.069 0.000 0.282 202 K C 0.107 176.638 176.600 -0.115 0.000 1.056 202 K CA 0.250 56.449 56.287 -0.147 0.000 1.035 202 K CB -0.140 32.267 32.500 -0.155 0.000 0.921 202 K HN 0.479 nan 8.250 nan 0.000 0.472 203 L N 2.059 123.251 121.223 -0.053 0.000 2.277 203 L HA 0.551 4.932 4.340 0.069 0.000 0.254 203 L C -0.739 176.120 176.870 -0.018 0.000 1.044 203 L CA -1.086 53.723 54.840 -0.051 0.000 0.842 203 L CB 2.237 44.246 42.059 -0.082 0.000 1.422 203 L HN 0.540 nan 8.230 nan 0.000 0.422 204 D N -0.845 119.502 120.400 -0.088 0.000 2.931 204 D HA 0.187 4.869 4.640 0.069 0.000 0.215 204 D C -0.395 175.791 176.300 -0.191 0.000 1.297 204 D CA -0.464 53.500 54.000 -0.060 0.000 0.892 204 D CB 1.659 42.457 40.800 -0.002 0.000 1.642 204 D HN 0.570 nan 8.370 nan 0.000 0.560 205 H N 0.501 119.561 119.070 -0.016 0.000 2.539 205 H HA 0.024 4.621 4.556 0.069 0.000 0.269 205 H C 0.552 175.852 175.328 -0.047 0.000 0.980 205 H CA 0.018 56.048 56.048 -0.029 0.000 1.152 205 H CB 0.463 30.222 29.762 -0.004 0.000 1.407 205 H HN 0.272 nan 8.280 nan 0.000 0.564 206 N N 2.464 121.173 118.700 0.016 0.000 2.394 206 N HA -0.100 4.681 4.740 0.069 0.000 0.282 206 N C 1.019 176.499 175.510 -0.050 0.000 1.351 206 N CA 0.270 53.309 53.050 -0.019 0.000 0.936 206 N CB 0.379 38.839 38.487 -0.046 0.000 1.274 206 N HN 0.329 nan 8.380 nan 0.000 0.489 207 Q N 1.593 121.378 119.800 -0.026 0.000 2.308 207 Q HA -0.182 4.200 4.340 0.069 0.000 0.209 207 Q C 0.680 176.654 176.000 -0.042 0.000 0.985 207 Q CA 1.039 56.820 55.803 -0.037 0.000 0.881 207 Q CB 0.103 28.828 28.738 -0.023 0.000 0.917 207 Q HN 0.645 nan 8.270 nan 0.000 0.443 208 E N 0.719 120.891 120.200 -0.046 0.000 2.150 208 E HA -0.110 4.281 4.350 0.069 0.000 0.193 208 E C 1.943 178.509 176.600 -0.058 0.000 0.985 208 E CA 0.813 57.184 56.400 -0.048 0.000 0.814 208 E CB -0.087 29.576 29.700 -0.061 0.000 0.752 208 E HN 0.501 nan 8.360 nan 0.000 0.466 209 I N 0.267 120.778 120.570 -0.099 0.000 2.286 209 I HA -0.183 4.029 4.170 0.069 0.000 0.245 209 I C 2.340 178.468 176.117 0.017 0.000 1.104 209 I CA 0.520 61.745 61.300 -0.125 0.000 1.397 209 I CB -0.339 37.428 38.000 -0.387 0.000 1.072 209 I HN -0.092 nan 8.210 nan 0.000 0.417 210 V N 1.406 121.302 119.914 -0.031 0.000 2.261 210 V HA -0.289 3.872 4.120 0.069 0.000 0.246 210 V C 2.594 178.739 176.094 0.084 0.000 1.047 210 V CA 2.104 64.410 62.300 0.009 0.000 1.015 210 V CB -0.722 31.053 31.823 -0.080 0.000 0.642 210 V HN 0.365 nan 8.190 nan 0.000 0.446 211 K N 0.103 120.524 120.400 0.035 0.000 2.009 211 K HA -0.242 4.120 4.320 0.069 0.000 0.210 211 K C 2.116 178.777 176.600 0.102 0.000 1.049 211 K CA 2.007 58.324 56.287 0.050 0.000 0.929 211 K CB -1.037 31.471 32.500 0.012 0.000 0.714 211 K HN 0.446 nan 8.250 nan 0.000 0.440 212 Y N -0.307 119.938 120.300 -0.091 0.000 2.014 212 Y HA -0.282 4.309 4.550 0.069 0.000 0.272 212 Y C 1.936 177.737 175.900 -0.164 0.000 1.164 212 Y CA 2.724 60.678 58.100 -0.243 0.000 1.114 212 Y CB -0.772 37.368 38.460 -0.532 0.000 0.961 212 Y HN 0.252 nan 8.280 nan 0.000 0.489 213 W N -1.652 119.759 121.300 0.185 0.000 2.425 213 W HA -0.202 4.500 4.660 0.069 0.000 0.277 213 W C 2.356 179.064 176.519 0.315 0.000 1.231 213 W CA 1.135 58.607 57.345 0.211 0.000 1.248 213 W CB -0.741 28.859 29.460 0.233 0.000 1.117 213 W HN 0.254 nan 8.180 nan 0.000 0.568 214 Y N 1.504 121.964 120.300 0.267 0.000 2.200 214 Y HA -0.249 4.342 4.550 0.069 0.000 0.290 214 Y C 2.531 178.492 175.900 0.101 0.000 1.137 214 Y CA 2.100 60.300 58.100 0.166 0.000 1.163 214 Y CB -0.811 37.699 38.460 0.083 0.000 0.988 214 Y HN -0.111 nan 8.280 nan 0.000 0.518 215 N N -0.407 118.436 118.700 0.239 0.000 2.188 215 N HA -0.273 4.509 4.740 0.069 0.000 0.184 215 N C 1.956 177.388 175.510 -0.131 0.000 1.018 215 N CA 1.499 54.560 53.050 0.019 0.000 0.858 215 N CB -0.677 37.795 38.487 -0.024 0.000 0.989 215 N HN 0.547 nan 8.380 nan 0.000 0.426 216 Y N 1.586 121.728 120.300 -0.265 0.000 2.114 216 Y HA -0.274 4.318 4.550 0.069 0.000 0.282 216 Y C 2.156 177.914 175.900 -0.236 0.000 1.165 216 Y CA 2.350 60.263 58.100 -0.312 0.000 1.148 216 Y CB -0.942 37.418 38.460 -0.166 0.000 0.972 216 Y HN 0.251 nan 8.280 nan 0.000 0.504 217 H N -0.478 118.446 119.070 -0.242 0.000 2.319 217 H HA -0.175 4.423 4.556 0.069 0.000 0.299 217 H C 2.366 177.443 175.328 -0.417 0.000 1.092 217 H CA 2.484 58.376 56.048 -0.260 0.000 1.302 217 H CB -0.491 29.298 29.762 0.045 0.000 1.373 217 H HN 0.381 nan 8.280 nan 0.000 0.497 218 I N 0.089 120.415 120.570 -0.405 0.000 2.179 218 I HA -0.210 4.002 4.170 0.069 0.000 0.242 218 I C 2.494 178.425 176.117 -0.311 0.000 1.088 218 I CA 1.205 62.252 61.300 -0.422 0.000 1.357 218 I CB -0.216 37.444 38.000 -0.567 0.000 1.051 218 I HN 0.265 nan 8.210 nan 0.000 0.409 219 E N 0.946 120.944 120.200 -0.336 0.000 2.077 219 E HA -0.254 4.137 4.350 0.069 0.000 0.193 219 E C 2.230 178.570 176.600 -0.434 0.000 0.989 219 E CA 1.320 57.536 56.400 -0.307 0.000 0.800 219 E CB -0.076 29.463 29.700 -0.270 0.000 0.746 219 E HN 0.244 nan 8.360 nan 0.000 0.452 220 R N -0.936 119.124 120.500 -0.735 0.000 2.200 220 R HA -0.064 4.317 4.340 0.069 0.000 0.208 220 R C 0.953 176.585 176.300 -1.113 0.000 1.033 220 R CA 1.192 56.657 56.100 -1.059 0.000 1.000 220 R CB -0.036 29.181 30.300 -1.805 0.000 0.906 220 R HN 0.151 nan 8.270 nan 0.000 0.462 221 Y N -3.796 116.108 120.300 -0.660 0.000 2.435 221 Y HA 0.295 4.887 4.550 0.069 0.000 0.270 221 Y C -0.161 175.152 175.900 -0.979 0.000 1.093 221 Y CA -0.862 56.673 58.100 -0.941 0.000 1.226 221 Y CB 0.250 37.900 38.460 -1.350 0.000 1.289 221 Y HN -0.002 nan 8.280 nan 0.000 0.529 222 W N 0.392 121.708 121.300 0.025 0.000 1.513 222 W HA 0.394 5.096 4.660 0.069 0.000 0.311 222 W C 1.000 177.496 176.519 -0.039 0.000 0.821 222 W CA -0.479 56.878 57.345 0.020 0.000 2.622 222 W CB 0.156 29.645 29.460 0.048 0.000 1.907 222 W HN -0.182 nan 8.180 nan 0.000 0.562 223 N N 1.380 120.122 118.700 0.071 0.000 2.635 223 N HA -0.077 4.705 4.740 0.069 0.000 0.191 223 N C 0.636 176.185 175.510 0.065 0.000 1.155 223 N CA 1.111 54.174 53.050 0.022 0.000 0.927 223 N CB 0.239 38.703 38.487 -0.039 0.000 0.976 223 N HN 0.235 nan 8.380 nan 0.000 0.448 224 T N -3.443 111.182 114.554 0.120 0.000 2.945 224 T HA 0.388 4.780 4.350 0.069 0.000 0.286 224 T C -1.921 172.846 174.700 0.113 0.000 1.025 224 T CA -1.870 60.292 62.100 0.102 0.000 1.039 224 T CB 2.313 71.245 68.868 0.106 0.000 1.068 224 T HN -0.267 nan 8.240 nan 0.000 0.497 225 P HA -0.096 nan 4.420 nan 0.000 0.215 225 P C 1.137 178.495 177.300 0.097 0.000 1.157 225 P CA 1.206 64.359 63.100 0.088 0.000 0.874 225 P CB 0.101 31.837 31.700 0.060 0.000 0.790 226 E N -0.442 119.807 120.200 0.082 0.000 2.047 226 E HA -0.100 4.292 4.350 0.069 0.000 0.191 226 E C 2.160 178.804 176.600 0.074 0.000 0.987 226 E CA 1.380 57.821 56.400 0.068 0.000 0.799 226 E CB -1.187 28.544 29.700 0.051 0.000 0.752 226 E HN 0.110 nan 8.360 nan 0.000 0.449 227 A N 1.410 124.294 122.820 0.108 0.000 1.908 227 A HA -0.278 4.083 4.320 0.069 0.000 0.218 227 A C 1.917 179.571 177.584 0.117 0.000 1.181 227 A CA 1.849 53.959 52.037 0.122 0.000 0.627 227 A CB -0.402 18.788 19.000 0.318 0.000 0.818 227 A HN 0.100 nan 8.150 nan 0.000 0.445 228 K N -0.632 119.877 120.400 0.182 0.000 2.097 228 K HA 0.029 4.391 4.320 0.069 0.000 0.205 228 K C 1.971 178.776 176.600 0.342 0.000 1.050 228 K CA 1.026 57.458 56.287 0.243 0.000 0.938 228 K CB -0.325 32.339 32.500 0.273 0.000 0.718 228 K HN 0.494 nan 8.250 nan 0.000 0.442 229 L N 1.534 122.892 121.223 0.225 0.000 1.989 229 L HA -0.253 4.129 4.340 0.069 0.000 0.211 229 L C 2.706 179.663 176.870 0.145 0.000 1.071 229 L CA 1.624 56.580 54.840 0.193 0.000 0.749 229 L CB -0.292 41.825 42.059 0.096 0.000 0.890 229 L HN 0.309 nan 8.230 nan 0.000 0.431 230 E N -0.418 119.804 120.200 0.037 0.000 2.070 230 E HA -0.338 4.054 4.350 0.069 0.000 0.197 230 E C 2.170 178.690 176.600 -0.132 0.000 1.004 230 E CA 1.931 58.277 56.400 -0.089 0.000 0.805 230 E CB -0.395 29.193 29.700 -0.186 0.000 0.744 230 E HN 0.475 nan 8.360 nan 0.000 0.451 231 F N 0.122 119.927 119.950 -0.241 0.000 2.069 231 F HA -0.262 4.306 4.527 0.069 0.000 0.298 231 F C 1.915 177.645 175.800 -0.118 0.000 1.113 231 F CA 1.905 59.765 58.000 -0.233 0.000 1.214 231 F CB -0.348 38.480 39.000 -0.287 0.000 0.978 231 F HN 0.091 nan 8.300 nan 0.000 0.474 232 Y N 0.123 120.622 120.300 0.332 0.000 2.352 232 Y HA -0.083 4.509 4.550 0.069 0.000 0.292 232 Y C 2.499 178.437 175.900 0.064 0.000 1.136 232 Y CA 1.193 59.449 58.100 0.260 0.000 1.227 232 Y CB -0.548 38.058 38.460 0.243 0.000 0.991 232 Y HN -0.043 nan 8.280 nan 0.000 0.545 233 R N 0.106 120.676 120.500 0.116 0.000 2.075 233 R HA -0.150 4.232 4.340 0.069 0.000 0.232 233 R C 2.200 178.418 176.300 -0.137 0.000 1.126 233 R CA 1.493 57.591 56.100 -0.004 0.000 0.963 233 R CB -0.208 30.067 30.300 -0.041 0.000 0.858 233 R HN 0.268 nan 8.270 nan 0.000 0.435 234 K N -0.213 119.993 120.400 -0.324 0.000 2.044 234 K HA -0.057 4.304 4.320 0.069 0.000 0.204 234 K C 1.399 177.569 176.600 -0.716 0.000 1.049 234 K CA 1.289 57.191 56.287 -0.641 0.000 0.945 234 K CB 0.141 32.014 32.500 -1.046 0.000 0.724 234 K HN 0.007 nan 8.250 nan 0.000 0.440 235 F N -0.126 119.635 119.950 -0.316 0.000 2.694 235 F HA 0.317 4.885 4.527 0.069 0.000 0.292 235 F C 1.106 176.903 175.800 -0.005 0.000 1.121 235 F CA 0.412 58.261 58.000 -0.251 0.000 1.352 235 F CB 0.380 39.030 39.000 -0.583 0.000 1.107 235 F HN 0.245 nan 8.300 nan 0.000 0.597 236 G N 0.801 109.749 108.800 0.246 0.000 2.828 236 G HA2 -0.199 3.803 3.960 0.069 0.000 0.463 236 G HA3 -0.199 3.803 3.960 0.069 0.000 0.463 236 G C -0.314 174.898 174.900 0.520 0.000 1.394 236 G CA -0.818 44.489 45.100 0.346 0.000 0.862 236 G HN 0.205 nan 8.290 nan 0.000 0.540 237 Q N -1.437 118.617 119.800 0.423 0.000 2.793 237 Q HA 0.343 4.725 4.340 0.069 0.000 0.220 237 Q C 0.743 176.778 176.000 0.059 0.000 1.123 237 Q CA 0.243 56.245 55.803 0.332 0.000 1.073 237 Q CB 0.355 29.189 28.738 0.159 0.000 1.315 237 Q HN 0.688 nan 8.270 nan 0.000 0.619 238 V N 1.281 120.994 119.914 -0.334 0.000 2.389 238 V HA 0.009 4.171 4.120 0.069 0.000 0.264 238 V C 0.108 176.076 176.094 -0.209 0.000 1.049 238 V CA -0.328 61.629 62.300 -0.572 0.000 0.932 238 V CB 0.726 32.050 31.823 -0.831 0.000 1.011 238 V HN 0.611 nan 8.190 nan 0.000 0.475 239 D N 4.803 125.129 120.400 -0.124 0.000 2.383 239 D HA 0.146 4.828 4.640 0.069 0.000 0.245 239 D C 1.068 177.298 176.300 -0.117 0.000 1.263 239 D CA -0.096 53.883 54.000 -0.036 0.000 0.936 239 D CB 1.027 41.878 40.800 0.086 0.000 1.053 239 D HN 0.555 nan 8.370 nan 0.000 0.507 240 L N 3.090 124.271 121.223 -0.070 0.000 2.450 240 L HA -0.111 4.271 4.340 0.069 0.000 0.224 240 L C 2.170 179.024 176.870 -0.026 0.000 1.149 240 L CA 0.711 55.512 54.840 -0.066 0.000 0.816 240 L CB -0.185 41.852 42.059 -0.036 0.000 0.932 240 L HN 0.181 nan 8.230 nan 0.000 0.449 241 K N 0.672 121.090 120.400 0.029 0.000 2.487 241 K HA -0.028 4.334 4.320 0.069 0.000 0.192 241 K C 0.573 177.240 176.600 0.111 0.000 1.027 241 K CA 0.085 56.450 56.287 0.130 0.000 1.054 241 K CB 0.079 32.719 32.500 0.233 0.000 0.824 241 K HN 0.503 nan 8.250 nan 0.000 0.510 242 Q N 1.694 121.327 119.800 -0.278 0.000 2.235 242 Q HA 0.319 4.701 4.340 0.069 0.000 0.250 242 Q C -2.634 173.118 176.000 -0.414 0.000 0.909 242 Q CA -2.263 53.056 55.803 -0.806 0.000 0.910 242 Q CB 1.111 28.858 28.738 -1.650 0.000 1.223 242 Q HN -0.182 nan 8.270 nan 0.000 0.432 243 P HA 0.220 nan 4.420 nan 0.000 0.278 243 P C -1.177 175.930 177.300 -0.321 0.000 1.258 243 P CA -0.427 62.373 63.100 -0.501 0.000 0.811 243 P CB 1.210 32.422 31.700 -0.814 0.000 1.063 244 A N 2.216 124.894 122.820 -0.238 0.000 2.310 244 A HA 0.551 4.913 4.320 0.069 0.000 0.299 244 A C 0.145 177.730 177.584 0.003 0.000 1.147 244 A CA -0.793 51.175 52.037 -0.115 0.000 0.818 244 A CB -0.148 18.721 19.000 -0.217 0.000 1.096 244 A HN 0.475 nan 8.150 nan 0.000 0.495 245 I N 2.509 123.093 120.570 0.022 0.000 2.321 245 I HA 0.171 4.382 4.170 0.069 0.000 0.291 245 I C -0.531 175.548 176.117 -0.062 0.000 0.998 245 I CA -0.675 60.605 61.300 -0.033 0.000 1.227 245 I CB 1.439 39.395 38.000 -0.073 0.000 1.368 245 I HN 0.509 nan 8.210 nan 0.000 0.466 246 L N 7.229 128.359 121.223 -0.156 0.000 2.360 246 L HA 0.640 5.022 4.340 0.069 0.000 0.276 246 L C 0.050 176.747 176.870 -0.289 0.000 1.121 246 L CA 0.452 55.072 54.840 -0.365 0.000 0.845 246 L CB 0.587 42.427 42.059 -0.366 0.000 1.143 246 L HN 0.754 nan 8.230 nan 0.000 0.452 247 A N 5.133 127.768 122.820 -0.308 0.000 2.594 247 A HA 0.827 5.189 4.320 0.069 0.000 0.291 247 A C -1.222 176.254 177.584 -0.180 0.000 1.105 247 A CA -0.831 51.094 52.037 -0.187 0.000 0.694 247 A CB 1.362 20.285 19.000 -0.127 0.000 1.291 247 A HN 0.615 nan 8.150 nan 0.000 0.410 248 K N 0.166 120.505 120.400 -0.102 0.000 2.340 248 K HA 0.661 5.023 4.320 0.069 0.000 0.244 248 K C -1.281 175.245 176.600 -0.123 0.000 0.973 248 K CA -0.604 55.554 56.287 -0.215 0.000 0.828 248 K CB 1.283 33.713 32.500 -0.117 0.000 1.226 248 K HN 0.452 nan 8.250 nan 0.000 0.437 249 F N 0.810 120.780 119.950 0.033 0.000 2.589 249 F HA 0.013 4.581 4.527 0.069 0.000 0.352 249 F C 1.512 177.262 175.800 -0.083 0.000 1.168 249 F CA 0.002 57.913 58.000 -0.148 0.000 1.353 249 F CB 0.158 39.019 39.000 -0.233 0.000 1.116 249 F HN 0.730 nan 8.300 nan 0.000 0.608 250 A N 0.971 123.833 122.820 0.071 0.000 2.044 250 A HA 0.091 4.453 4.320 0.069 0.000 0.213 250 A C 1.549 179.154 177.584 0.035 0.000 1.169 250 A CA 0.584 52.653 52.037 0.054 0.000 0.724 250 A CB -0.867 18.159 19.000 0.042 0.000 0.840 250 A HN 0.728 nan 8.150 nan 0.000 0.463 251 S N 0.009 115.712 115.700 0.004 0.000 2.688 251 S HA 0.270 4.782 4.470 0.069 0.000 0.248 251 S C 0.475 175.070 174.600 -0.008 0.000 1.361 251 S CA 0.501 58.682 58.200 -0.031 0.000 0.979 251 S CB -0.105 63.034 63.200 -0.102 0.000 0.947 251 S HN 0.624 nan 8.310 nan 0.000 0.545 259 Y N 1.502 121.765 120.300 -0.062 0.000 2.211 259 Y HA 0.218 4.810 4.550 0.069 0.000 0.317 259 Y C -2.209 173.557 175.900 -0.223 0.000 1.366 259 Y CA -0.844 57.202 58.100 -0.090 0.000 1.379 259 Y CB 0.610 39.066 38.460 -0.007 0.000 1.287 259 Y HN -0.183 nan 8.280 nan 0.000 0.412 260 K N 6.339 126.676 120.400 -0.106 0.000 2.318 260 K HA 0.723 5.085 4.320 0.069 0.000 0.249 260 K C -1.521 174.915 176.600 -0.273 0.000 0.942 260 K CA -0.923 55.248 56.287 -0.194 0.000 0.808 260 K CB 2.429 34.762 32.500 -0.279 0.000 1.189 260 K HN 0.397 nan 8.250 nan 0.000 0.428 261 I N 1.127 121.500 120.570 -0.328 0.000 2.797 261 I HA 0.328 4.540 4.170 0.069 0.000 0.307 261 I C -0.929 174.839 176.117 -0.581 0.000 1.033 261 I CA -0.771 60.289 61.300 -0.401 0.000 1.071 261 I CB 0.793 38.640 38.000 -0.255 0.000 1.255 261 I HN 0.380 nan 8.210 nan 0.000 0.445 262 Y N 3.835 123.731 120.300 -0.672 0.000 2.330 262 Y HA 0.691 5.283 4.550 0.069 0.000 0.336 262 Y C -0.416 175.163 175.900 -0.535 0.000 1.036 262 Y CA -0.488 57.266 58.100 -0.577 0.000 1.125 262 Y CB 1.322 39.389 38.460 -0.656 0.000 1.194 262 Y HN 0.250 nan 8.280 nan 0.000 0.469 263 L N 4.459 125.588 121.223 -0.158 0.000 2.354 263 L HA 0.525 4.906 4.340 0.069 0.000 0.269 263 L C -1.365 175.452 176.870 -0.089 0.000 1.005 263 L CA -1.251 53.476 54.840 -0.189 0.000 0.819 263 L CB 1.771 43.670 42.059 -0.266 0.000 1.311 263 L HN 0.324 nan 8.230 nan 0.000 0.423 264 L N 4.156 125.322 121.223 -0.095 0.000 2.298 264 L HA 0.409 4.791 4.340 0.069 0.000 0.284 264 L C -1.463 175.333 176.870 -0.122 0.000 1.013 264 L CA -1.609 53.164 54.840 -0.113 0.000 0.824 264 L CB 1.299 43.312 42.059 -0.077 0.000 1.221 264 L HN 0.266 nan 8.230 nan 0.000 0.418 265 P HA -0.289 nan 4.420 nan 0.000 0.217 265 P C 1.144 178.478 177.300 0.058 0.000 1.151 265 P CA 1.159 64.262 63.100 0.005 0.000 0.849 265 P CB 0.310 32.073 31.700 0.105 0.000 0.787 266 Q N -0.170 119.610 119.800 -0.033 0.000 2.364 266 Q HA -0.088 4.294 4.340 0.069 0.000 0.209 266 Q C 1.616 177.614 176.000 -0.004 0.000 0.977 266 Q CA 1.019 56.862 55.803 0.066 0.000 0.885 266 Q CB -0.386 28.338 28.738 -0.023 0.000 0.941 266 Q HN 0.286 nan 8.270 nan 0.000 0.464 267 L N 0.515 121.648 121.223 -0.151 0.000 2.858 267 L HA 0.282 4.663 4.340 0.069 0.000 0.251 267 L C -0.144 176.626 176.870 -0.166 0.000 1.149 267 L CA -0.512 54.102 54.840 -0.376 0.000 0.955 267 L CB 1.487 43.171 42.059 -0.625 0.000 1.289 267 L HN 0.039 nan 8.230 nan 0.000 0.542 268 V N -1.456 118.431 119.914 -0.044 0.000 2.628 268 V HA 0.727 4.889 4.120 0.069 0.000 0.306 268 V C -0.111 176.015 176.094 0.053 0.000 1.045 268 V CA -0.916 61.395 62.300 0.018 0.000 0.905 268 V CB 1.811 33.640 31.823 0.010 0.000 0.997 268 V HN -0.048 nan 8.190 nan 0.000 0.436 269 V N 1.119 121.076 119.914 0.071 0.000 2.581 269 V HA 0.763 4.924 4.120 0.069 0.000 0.303 269 V C -2.487 173.644 176.094 0.062 0.000 1.041 269 V CA -2.400 59.936 62.300 0.060 0.000 0.907 269 V CB 1.434 33.298 31.823 0.067 0.000 0.994 269 V HN 0.847 nan 8.190 nan 0.000 0.442 270 P HA 0.388 nan 4.420 nan 0.000 0.280 270 P C -0.375 176.892 177.300 -0.056 0.000 1.244 270 P CA 0.258 63.374 63.100 0.027 0.000 0.784 270 P CB 1.159 32.965 31.700 0.177 0.000 0.913 271 T N 1.733 116.136 114.554 -0.251 0.000 2.916 271 T HA 0.694 5.086 4.350 0.069 0.000 0.292 271 T C -0.997 173.413 174.700 -0.484 0.000 1.064 271 T CA -0.388 61.601 62.100 -0.185 0.000 1.011 271 T CB 1.115 69.980 68.868 -0.006 0.000 1.152 271 T HN 0.277 nan 8.240 nan 0.000 0.510 272 Y N -0.567 119.803 120.300 0.117 0.000 2.552 272 Y HA 0.402 4.994 4.550 0.070 0.000 0.337 272 Y C -0.420 175.528 175.900 0.080 0.000 1.094 272 Y CA -1.290 56.859 58.100 0.082 0.000 1.028 272 Y CB 1.655 40.139 38.460 0.040 0.000 1.321 272 Y HN 0.483 nan 8.280 nan 0.000 0.456 273 N N 1.501 120.345 118.700 0.240 0.000 2.420 273 N HA 0.320 5.102 4.740 0.069 0.000 0.249 273 N C 0.675 176.272 175.510 0.146 0.000 1.033 273 N CA 0.252 53.400 53.050 0.163 0.000 0.944 273 N CB 1.888 40.450 38.487 0.124 0.000 1.113 273 N HN 0.959 nan 8.380 nan 0.000 0.502 274 A N 3.411 126.315 122.820 0.140 0.000 1.884 274 A HA -0.242 4.119 4.320 0.069 0.000 0.219 274 A C 1.795 179.416 177.584 0.061 0.000 1.197 274 A CA 1.602 53.690 52.037 0.086 0.000 0.637 274 A CB -0.322 18.739 19.000 0.101 0.000 0.827 274 A HN 0.587 nan 8.150 nan 0.000 0.450 275 E N -0.622 119.632 120.200 0.089 0.000 2.160 275 E HA -0.213 4.179 4.350 0.069 0.000 0.195 275 E C 2.087 178.725 176.600 0.063 0.000 0.991 275 E CA 1.387 57.834 56.400 0.079 0.000 0.810 275 E CB -0.295 29.469 29.700 0.106 0.000 0.742 275 E HN 0.818 nan 8.360 nan 0.000 0.466 276 Q N -0.063 119.780 119.800 0.072 0.000 2.230 276 Q HA -0.056 4.325 4.340 0.069 0.000 0.202 276 Q C 0.502 176.535 176.000 0.055 0.000 0.963 276 Q CA 0.292 56.136 55.803 0.068 0.000 0.866 276 Q CB 0.140 28.932 28.738 0.089 0.000 0.931 276 Q HN 0.242 nan 8.270 nan 0.000 0.452 283 K N 1.332 121.690 120.400 -0.070 0.000 2.170 283 K HA -0.363 3.998 4.320 0.069 0.000 0.217 283 K C 1.543 178.081 176.600 -0.103 0.000 0.877 283 K CA 2.845 59.096 56.287 -0.059 0.000 0.997 283 K CB -0.364 32.125 32.500 -0.017 0.000 0.964 283 K HN 0.829 nan 8.250 nan 0.000 0.519 284 E N 0.076 120.213 120.200 -0.105 0.000 2.055 284 E HA -0.264 4.128 4.350 0.069 0.000 0.209 284 E C 2.200 178.486 176.600 -0.525 0.000 1.036 284 E CA 2.342 58.644 56.400 -0.164 0.000 0.849 284 E CB -0.321 29.349 29.700 -0.049 0.000 0.767 284 E HN 0.461 nan 8.360 nan 0.000 0.461 285 I N 0.495 120.613 120.570 -0.754 0.000 2.099 285 I HA -0.303 3.909 4.170 0.069 0.000 0.239 285 I C 2.595 178.471 176.117 -0.402 0.000 1.066 285 I CA 0.760 61.539 61.300 -0.868 0.000 1.324 285 I CB -0.323 37.352 38.000 -0.541 0.000 1.037 285 I HN 0.139 nan 8.210 nan 0.000 0.401 286 L N 0.933 122.002 121.223 -0.257 0.000 2.051 286 L HA -0.272 4.109 4.340 0.069 0.000 0.214 286 L C 2.307 179.107 176.870 -0.116 0.000 1.076 286 L CA 1.922 56.667 54.840 -0.158 0.000 0.758 286 L CB -0.758 41.234 42.059 -0.111 0.000 0.890 286 L HN 0.260 nan 8.230 nan 0.000 0.433 287 E N -2.844 117.302 120.200 -0.090 0.000 2.472 287 E HA -0.231 4.160 4.350 0.069 0.000 0.200 287 E C 1.369 178.002 176.600 0.055 0.000 1.046 287 E CA 0.656 57.048 56.400 -0.012 0.000 0.871 287 E CB -0.024 29.690 29.700 0.024 0.000 0.806 287 E HN 0.569 nan 8.360 nan 0.000 0.533 288 Y N 0.032 120.256 120.300 -0.127 0.000 2.558 288 Y HA -0.030 4.562 4.550 0.069 0.000 0.273 288 Y C 2.469 178.265 175.900 -0.173 0.000 1.100 288 Y CA 1.324 59.394 58.100 -0.050 0.000 1.276 288 Y CB 0.219 38.728 38.460 0.083 0.000 1.196 288 Y HN 0.026 nan 8.280 nan 0.000 0.527 289 T N -2.039 112.323 114.554 -0.319 0.000 3.043 289 T HA 0.062 4.454 4.350 0.069 0.000 0.263 289 T C 0.587 175.064 174.700 -0.373 0.000 1.094 289 T CA 0.159 61.827 62.100 -0.720 0.000 1.127 289 T CB -0.151 68.382 68.868 -0.558 0.000 0.905 289 T HN -0.175 nan 8.240 nan 0.000 0.490 290 K N 1.822 122.109 120.400 -0.188 0.000 2.312 290 K HA 0.512 4.874 4.320 0.069 0.000 0.287 290 K C -0.637 175.922 176.600 -0.068 0.000 1.062 290 K CA -0.210 56.029 56.287 -0.080 0.000 0.934 290 K CB 1.227 33.697 32.500 -0.050 0.000 1.027 290 K HN 0.381 nan 8.250 nan 0.000 0.478 291 L N 3.555 124.766 121.223 -0.021 0.000 2.365 291 L HA 0.400 4.782 4.340 0.069 0.000 0.273 291 L C 0.199 177.065 176.870 -0.006 0.000 1.000 291 L CA -0.957 53.867 54.840 -0.027 0.000 0.819 291 L CB 1.519 43.568 42.059 -0.016 0.000 1.284 291 L HN 0.310 nan 8.230 nan 0.000 0.418 292 M N 2.347 121.933 119.600 -0.024 0.000 2.232 292 M HA 0.157 4.679 4.480 0.069 0.000 0.321 292 M C -1.496 174.788 176.300 -0.027 0.000 1.101 292 M CA -1.991 53.302 55.300 -0.013 0.000 1.181 292 M CB -0.033 32.553 32.600 -0.022 0.000 1.432 292 M HN 0.223 nan 8.290 nan 0.000 0.457 293 P HA -0.149 nan 4.420 nan 0.000 0.218 293 P C 0.996 178.193 177.300 -0.172 0.000 1.148 293 P CA 1.265 64.382 63.100 0.027 0.000 0.822 293 P CB 0.252 32.033 31.700 0.134 0.000 0.784 294 E N -0.369 119.758 120.200 -0.121 0.000 2.158 294 E HA -0.128 4.264 4.350 0.069 0.000 0.191 294 E C 1.828 178.303 176.600 -0.209 0.000 0.982 294 E CA 0.932 57.237 56.400 -0.159 0.000 0.823 294 E CB -0.343 29.306 29.700 -0.085 0.000 0.766 294 E HN 0.467 nan 8.360 nan 0.000 0.468 295 E N 0.460 120.557 120.200 -0.172 0.000 2.106 295 E HA -0.104 4.288 4.350 0.069 0.000 0.192 295 E C 2.199 178.657 176.600 -0.237 0.000 0.984 295 E CA 0.612 56.915 56.400 -0.161 0.000 0.806 295 E CB -0.064 29.574 29.700 -0.103 0.000 0.750 295 E HN 0.119 nan 8.360 nan 0.000 0.458 296 R N 1.067 121.366 120.500 -0.335 0.000 2.075 296 R HA -0.082 4.299 4.340 0.069 0.000 0.232 296 R C 2.394 178.257 176.300 -0.729 0.000 1.126 296 R CA 1.100 56.931 56.100 -0.448 0.000 0.963 296 R CB -0.173 29.871 30.300 -0.426 0.000 0.858 296 R HN 0.009 nan 8.270 nan 0.000 0.435 297 K N 1.235 121.005 120.400 -1.050 0.000 2.020 297 K HA -0.251 4.111 4.320 0.069 0.000 0.212 297 K C 2.063 178.446 176.600 -0.363 0.000 1.050 297 K CA 1.889 57.696 56.287 -0.799 0.000 0.929 297 K CB -0.041 32.152 32.500 -0.511 0.000 0.714 297 K HN 0.137 nan 8.250 nan 0.000 0.443 298 E N 0.487 120.510 120.200 -0.297 0.000 2.038 298 E HA -0.211 4.180 4.350 0.069 0.000 0.195 298 E C 2.148 178.599 176.600 -0.249 0.000 1.000 298 E CA 1.391 57.657 56.400 -0.224 0.000 0.803 298 E CB -0.099 29.491 29.700 -0.183 0.000 0.750 298 E HN 0.327 nan 8.360 nan 0.000 0.448 299 L N 0.667 121.750 121.223 -0.234 0.000 2.079 299 L HA -0.226 4.156 4.340 0.069 0.000 0.210 299 L C 2.595 179.347 176.870 -0.197 0.000 1.081 299 L CA 0.850 55.560 54.840 -0.217 0.000 0.752 299 L CB -0.348 41.641 42.059 -0.117 0.000 0.896 299 L HN 0.281 nan 8.230 nan 0.000 0.433 300 L N -0.688 120.444 121.223 -0.152 0.000 2.056 300 L HA -0.180 4.201 4.340 0.069 0.000 0.207 300 L C 2.537 179.350 176.870 -0.095 0.000 1.078 300 L CA 1.222 56.019 54.840 -0.071 0.000 0.749 300 L CB -0.459 41.606 42.059 0.010 0.000 0.901 300 L HN 0.299 nan 8.230 nan 0.000 0.433 301 E N 0.006 120.126 120.200 -0.135 0.000 2.110 301 E HA -0.190 4.202 4.350 0.069 0.000 0.193 301 E C 1.864 178.344 176.600 -0.200 0.000 0.988 301 E CA 0.952 57.274 56.400 -0.129 0.000 0.804 301 E CB -0.122 29.503 29.700 -0.125 0.000 0.745 301 E HN 0.480 nan 8.360 nan 0.000 0.458 302 N N 0.980 119.460 118.700 -0.367 0.000 2.120 302 N HA -0.125 4.657 4.740 0.069 0.000 0.188 302 N C 1.933 177.201 175.510 -0.404 0.000 1.024 302 N CA 0.930 53.578 53.050 -0.670 0.000 0.852 302 N CB -0.167 37.361 38.487 -1.600 0.000 1.003 302 N HN 0.193 nan 8.380 nan 0.000 0.424 303 I N 1.061 121.512 120.570 -0.199 0.000 2.202 303 I HA -0.220 3.992 4.170 0.069 0.000 0.242 303 I C 2.155 178.290 176.117 0.031 0.000 1.091 303 I CA 0.738 62.067 61.300 0.049 0.000 1.368 303 I CB -0.193 37.843 38.000 0.060 0.000 1.058 303 I HN 0.052 nan 8.210 nan 0.000 0.410 304 L N 0.521 121.737 121.223 -0.012 0.000 2.012 304 L HA -0.229 4.152 4.340 0.069 0.000 0.210 304 L C 2.707 179.580 176.870 0.004 0.000 1.073 304 L CA 1.507 56.349 54.840 0.002 0.000 0.748 304 L CB -0.776 41.280 42.059 -0.005 0.000 0.891 304 L HN 0.252 nan 8.230 nan 0.000 0.431 305 A N -0.909 121.901 122.820 -0.017 0.000 2.178 305 A HA -0.187 4.174 4.320 0.069 0.000 0.218 305 A C 2.033 179.637 177.584 0.034 0.000 1.157 305 A CA 1.464 53.499 52.037 -0.003 0.000 0.689 305 A CB -0.304 18.679 19.000 -0.029 0.000 0.787 305 A HN 0.343 nan 8.150 nan 0.000 0.465 306 E N -1.014 119.225 120.200 0.065 0.000 2.460 306 E HA 0.154 4.546 4.350 0.069 0.000 0.200 306 E C -0.111 176.526 176.600 0.062 0.000 1.011 306 E CA 0.004 56.463 56.400 0.099 0.000 0.912 306 E CB 0.263 30.081 29.700 0.197 0.000 0.953 306 E HN 0.194 nan 8.360 nan 0.000 0.494 307 V N 2.174 122.116 119.914 0.046 0.000 2.470 307 V HA 0.063 4.225 4.120 0.069 0.000 0.276 307 V C -0.133 175.975 176.094 0.024 0.000 1.040 307 V CA -0.053 62.267 62.300 0.033 0.000 1.008 307 V CB 1.060 32.901 31.823 0.030 0.000 0.990 307 V HN 0.048 nan 8.190 nan 0.000 0.477 308 D N 3.648 124.060 120.400 0.021 0.000 2.639 308 D HA 0.430 5.111 4.640 0.069 0.000 0.233 308 D C -0.185 176.121 176.300 0.011 0.000 1.161 308 D CA 0.469 54.478 54.000 0.015 0.000 1.003 308 D CB 0.334 41.143 40.800 0.015 0.000 1.034 308 D HN 0.567 nan 8.370 nan 0.000 0.514 309 S N 1.399 117.104 115.700 0.008 0.000 2.560 309 S HA 0.106 4.617 4.470 0.069 0.000 0.283 309 S C -0.597 174.003 174.600 -0.000 0.000 1.141 309 S CA -0.847 57.354 58.200 0.003 0.000 0.902 309 S CB 0.854 64.055 63.200 0.003 0.000 1.104 309 S HN 0.289 nan 8.310 nan 0.000 0.454 310 D N 3.470 123.867 120.400 -0.005 0.000 2.325 310 D HA 0.026 4.707 4.640 0.069 0.000 0.225 310 D C 1.254 177.546 176.300 -0.014 0.000 1.096 310 D CA -0.218 53.777 54.000 -0.008 0.000 0.844 310 D CB 0.040 40.835 40.800 -0.009 0.000 0.925 310 D HN 0.433 nan 8.370 nan 0.000 0.513 311 I N 1.189 121.749 120.570 -0.016 0.000 3.176 311 I HA 0.099 4.311 4.170 0.069 0.000 0.275 311 I C 0.551 176.653 176.117 -0.025 0.000 1.298 311 I CA 0.249 61.533 61.300 -0.026 0.000 1.445 311 I CB -0.206 37.778 38.000 -0.028 0.000 1.075 311 I HN 0.205 nan 8.210 nan 0.000 0.482 312 I N -3.764 116.799 120.570 -0.013 0.000 2.894 312 I HA 0.481 4.692 4.170 0.069 0.000 0.302 312 I C -0.723 175.393 176.117 -0.001 0.000 1.188 312 I CA -1.140 60.155 61.300 -0.008 0.000 1.014 312 I CB 1.236 39.241 38.000 0.008 0.000 1.242 312 I HN -0.324 nan 8.210 nan 0.000 0.430 313 D N 2.792 123.194 120.400 0.003 0.000 2.390 313 D HA 0.057 4.738 4.640 0.069 0.000 0.236 313 D C 1.015 177.324 176.300 0.015 0.000 1.189 313 D CA 0.181 54.187 54.000 0.011 0.000 0.887 313 D CB 1.139 41.954 40.800 0.024 0.000 1.198 313 D HN 0.720 nan 8.370 nan 0.000 0.444 314 K N -0.610 119.796 120.400 0.010 0.000 2.305 314 K HA 0.045 4.406 4.320 0.069 0.000 0.199 314 K C 0.403 177.007 176.600 0.007 0.000 1.047 314 K CA 0.191 56.482 56.287 0.006 0.000 0.976 314 K CB 0.109 32.610 32.500 0.001 0.000 0.765 314 K HN 0.276 nan 8.250 nan 0.000 0.474 315 S N 0.589 116.297 115.700 0.014 0.000 2.638 315 S HA 0.494 5.006 4.470 0.069 0.000 0.302 315 S C -0.136 174.484 174.600 0.033 0.000 1.096 315 S CA -1.173 57.036 58.200 0.015 0.000 0.953 315 S CB 1.301 64.506 63.200 0.008 0.000 1.107 315 S HN 0.129 nan 8.310 nan 0.000 0.503 316 L N 2.114 123.359 121.223 0.037 0.000 2.426 316 L HA 0.294 4.675 4.340 0.069 0.000 0.271 316 L C 0.792 177.676 176.870 0.023 0.000 1.169 316 L CA -0.339 54.532 54.840 0.052 0.000 0.836 316 L CB 0.758 42.873 42.059 0.094 0.000 1.112 316 L HN 0.706 nan 8.230 nan 0.000 0.465 317 S N 1.525 117.228 115.700 0.005 0.000 2.593 317 S HA 0.216 4.727 4.470 0.069 0.000 0.269 317 S C -0.230 174.301 174.600 -0.116 0.000 1.334 317 S CA -0.594 57.581 58.200 -0.041 0.000 1.015 317 S CB 0.738 63.896 63.200 -0.070 0.000 0.912 317 S HN 0.482 nan 8.310 nan 0.000 0.541 318 E N 0.770 120.892 120.200 -0.129 0.000 2.227 318 E HA 0.638 5.030 4.350 0.069 0.000 0.268 318 E C -0.793 175.669 176.600 -0.231 0.000 0.907 318 E CA -0.533 55.768 56.400 -0.165 0.000 0.786 318 E CB 2.316 31.954 29.700 -0.104 0.000 1.191 318 E HN 0.429 nan 8.360 nan 0.000 0.411 319 I N 0.685 121.073 120.570 -0.304 0.000 2.969 319 I HA 0.270 4.482 4.170 0.069 0.000 0.307 319 I C -1.219 174.727 176.117 -0.285 0.000 1.149 319 I CA -0.802 60.291 61.300 -0.345 0.000 1.008 319 I CB 2.247 39.909 38.000 -0.563 0.000 1.232 319 I HN 0.546 nan 8.210 nan 0.000 0.435 320 E N 5.056 125.129 120.200 -0.211 0.000 2.194 320 E HA 0.446 4.837 4.350 0.069 0.000 0.284 320 E C -1.099 175.409 176.600 -0.152 0.000 1.035 320 E CA -0.573 55.736 56.400 -0.152 0.000 0.836 320 E CB 1.244 30.885 29.700 -0.098 0.000 1.070 320 E HN 0.443 nan 8.360 nan 0.000 0.401 321 V N 1.359 121.187 119.914 -0.144 0.000 2.994 321 V HA 0.546 4.707 4.120 0.069 0.000 0.318 321 V C -0.493 175.493 176.094 -0.179 0.000 1.085 321 V CA -0.876 61.362 62.300 -0.103 0.000 0.998 321 V CB 1.962 33.775 31.823 -0.017 0.000 1.063 321 V HN 0.570 nan 8.190 nan 0.000 0.447 322 E N 1.918 121.905 120.200 -0.354 0.000 2.134 322 E HA 0.392 4.784 4.350 0.069 0.000 0.278 322 E C -0.708 175.723 176.600 -0.281 0.000 0.959 322 E CA -0.421 55.719 56.400 -0.433 0.000 0.783 322 E CB 1.732 30.867 29.700 -0.942 0.000 1.095 322 E HN 0.630 nan 8.360 nan 0.000 0.399 323 K N 2.328 122.648 120.400 -0.134 0.000 2.237 323 K HA 0.332 4.694 4.320 0.069 0.000 0.270 323 K C 0.304 176.881 176.600 -0.039 0.000 1.015 323 K CA -0.292 55.958 56.287 -0.062 0.000 0.949 323 K CB 0.890 33.364 32.500 -0.044 0.000 0.976 323 K HN 0.384 nan 8.250 nan 0.000 0.472 324 I N 2.668 123.220 120.570 -0.031 0.000 2.304 324 I HA 0.107 4.319 4.170 0.069 0.000 0.291 324 I C 0.437 176.491 176.117 -0.105 0.000 1.018 324 I CA -0.566 60.675 61.300 -0.099 0.000 1.260 324 I CB 1.380 39.244 38.000 -0.227 0.000 1.390 324 I HN 0.666 nan 8.210 nan 0.000 0.475 325 A N 5.631 128.389 122.820 -0.103 0.000 2.587 325 A HA -0.092 4.270 4.320 0.069 0.000 0.235 325 A C 1.290 178.838 177.584 -0.060 0.000 1.044 325 A CA 0.209 52.205 52.037 -0.069 0.000 0.754 325 A CB 0.162 19.124 19.000 -0.063 0.000 0.968 325 A HN 0.903 nan 8.150 nan 0.000 0.509 326 Q N 0.776 120.564 119.800 -0.020 0.000 2.364 326 Q HA -0.179 4.203 4.340 0.069 0.000 0.207 326 Q C 1.650 177.660 176.000 0.018 0.000 0.970 326 Q CA 1.613 57.422 55.803 0.011 0.000 0.888 326 Q CB 0.011 28.760 28.738 0.017 0.000 0.951 326 Q HN 0.952 nan 8.270 nan 0.000 0.469 327 E N 0.473 120.672 120.200 -0.002 0.000 2.051 327 E HA -0.181 4.210 4.350 0.069 0.000 0.192 327 E C 1.657 178.267 176.600 0.016 0.000 0.991 327 E CA 0.847 57.251 56.400 0.006 0.000 0.799 327 E CB -0.121 29.576 29.700 -0.006 0.000 0.748 327 E HN 0.470 nan 8.360 nan 0.000 0.449 328 L N 0.817 122.031 121.223 -0.016 0.000 2.651 328 L HA -0.090 4.292 4.340 0.069 0.000 0.236 328 L C 2.056 179.051 176.870 0.209 0.000 1.173 328 L CA 0.657 55.501 54.840 0.007 0.000 0.843 328 L CB -0.232 41.694 42.059 -0.223 0.000 0.964 328 L HN 0.188 nan 8.230 nan 0.000 0.454 329 E N -0.190 120.105 120.200 0.159 0.000 2.498 329 E HA 0.016 4.407 4.350 0.069 0.000 0.203 329 E C 0.312 176.964 176.600 0.087 0.000 1.013 329 E CA -0.059 56.453 56.400 0.187 0.000 0.927 329 E CB 0.470 30.274 29.700 0.173 0.000 1.012 329 E HN 0.417 nan 8.360 nan 0.000 0.482 330 N N -0.107 118.629 118.700 0.060 0.000 2.238 330 N HA 0.091 4.872 4.740 0.069 0.000 0.235 330 N C 0.091 175.614 175.510 0.021 0.000 1.209 330 N CA -0.050 53.023 53.050 0.038 0.000 0.879 330 N CB 0.696 39.207 38.487 0.040 0.000 1.136 330 N HN -0.036 nan 8.380 nan 0.000 0.517 331 K N 0.301 120.706 120.400 0.009 0.000 2.551 331 K HA 0.202 4.563 4.320 0.069 0.000 0.192 331 K C -0.192 176.388 176.600 -0.033 0.000 1.027 331 K CA 0.550 56.833 56.287 -0.007 0.000 1.059 331 K CB 0.404 32.897 32.500 -0.012 0.000 0.831 331 K HN 0.206 nan 8.250 nan 0.000 0.508 332 I N 1.727 122.269 120.570 -0.046 0.000 2.410 332 I HA 0.234 4.446 4.170 0.069 0.000 0.286 332 I C -0.384 175.727 176.117 -0.011 0.000 1.009 332 I CA -0.685 60.572 61.300 -0.072 0.000 1.111 332 I CB 1.444 39.322 38.000 -0.204 0.000 1.262 332 I HN -0.081 nan 8.210 nan 0.000 0.443 333 R N 4.894 125.418 120.500 0.041 0.000 2.854 333 R HA 0.854 5.236 4.340 0.069 0.000 0.271 333 R C -1.059 175.376 176.300 0.225 0.000 0.996 333 R CA -0.978 55.190 56.100 0.113 0.000 0.961 333 R CB 2.648 33.020 30.300 0.119 0.000 1.182 333 R HN 0.413 nan 8.270 nan 0.000 0.479 334 V N -1.277 118.794 119.914 0.261 0.000 3.001 334 V HA 0.751 4.912 4.120 0.069 0.000 0.314 334 V C -0.529 175.732 176.094 0.278 0.000 1.099 334 V CA -1.219 61.281 62.300 0.333 0.000 0.989 334 V CB 1.880 33.909 31.823 0.344 0.000 1.040 334 V HN 0.904 nan 8.190 nan 0.000 0.434 335 R N 0.375 120.990 120.500 0.191 0.000 2.837 335 R HA 0.784 5.165 4.340 0.069 0.000 0.271 335 R C -1.343 174.999 176.300 0.070 0.000 0.993 335 R CA -0.726 55.439 56.100 0.108 0.000 0.931 335 R CB 1.980 32.301 30.300 0.034 0.000 1.206 335 R HN 0.796 nan 8.270 nan 0.000 0.474 336 D N -0.125 120.315 120.400 0.067 0.000 2.564 336 D HA 0.029 4.711 4.640 0.069 0.000 0.273 336 D C 0.298 176.612 176.300 0.024 0.000 1.192 336 D CA -0.540 53.491 54.000 0.053 0.000 1.080 336 D CB 0.299 41.136 40.800 0.062 0.000 1.160 336 D HN 0.643 nan 8.370 nan 0.000 0.607 337 D N -0.853 119.561 120.400 0.023 0.000 2.310 337 D HA -0.112 4.570 4.640 0.069 0.000 0.212 337 D C 0.480 176.794 176.300 0.023 0.000 0.965 337 D CA 0.815 54.828 54.000 0.020 0.000 0.879 337 D CB 0.048 40.857 40.800 0.016 0.000 0.921 337 D HN 0.099 nan 8.370 nan 0.000 0.510 338 K N 0.253 120.671 120.400 0.029 0.000 2.851 338 K HA 0.478 4.839 4.320 0.069 0.000 0.321 338 K C 1.606 178.229 176.600 0.038 0.000 0.977 338 K CA 0.415 56.723 56.287 0.035 0.000 1.366 338 K CB -0.206 32.320 32.500 0.043 0.000 1.524 338 K HN 0.056 nan 8.250 nan 0.000 0.683 339 G N 0.003 108.830 108.800 0.046 0.000 3.453 339 G HA2 0.030 4.032 3.960 0.069 0.000 0.263 339 G HA3 0.030 4.032 3.960 0.069 0.000 0.263 339 G C -0.713 174.226 174.900 0.064 0.000 1.060 339 G CA -0.276 44.855 45.100 0.052 0.000 0.793 339 G HN 0.337 nan 8.290 nan 0.000 0.532 340 N N 1.510 120.249 118.700 0.066 0.000 2.434 340 N HA 0.281 5.063 4.740 0.069 0.000 0.273 340 N C -0.319 175.251 175.510 0.100 0.000 1.210 340 N CA 0.261 53.358 53.050 0.079 0.000 0.992 340 N CB 0.971 39.505 38.487 0.078 0.000 1.355 340 N HN -0.076 nan 8.380 nan 0.000 0.495 341 S N 1.163 116.928 115.700 0.109 0.000 2.457 341 S HA 0.544 5.055 4.470 0.069 0.000 0.289 341 S C -0.123 174.552 174.600 0.125 0.000 1.163 341 S CA -0.707 57.578 58.200 0.142 0.000 1.078 341 S CB 1.020 64.313 63.200 0.155 0.000 0.987 341 S HN 0.157 nan 8.310 nan 0.000 0.482 342 V N 5.580 125.579 119.914 0.142 0.000 2.841 342 V HA 0.491 4.652 4.120 0.069 0.000 0.310 342 V C -2.343 173.824 176.094 0.121 0.000 1.090 342 V CA -2.179 60.192 62.300 0.118 0.000 0.930 342 V CB 2.297 34.187 31.823 0.112 0.000 1.014 342 V HN 0.641 nan 8.190 nan 0.000 0.425 343 P HA 0.235 nan 4.420 nan 0.000 0.271 343 P C 0.112 177.467 177.300 0.092 0.000 1.220 343 P CA -0.014 63.134 63.100 0.079 0.000 0.768 343 P CB 0.718 32.454 31.700 0.059 0.000 0.848 344 I N 2.450 123.075 120.570 0.092 0.000 3.262 344 I HA -0.084 4.128 4.170 0.069 0.000 0.319 344 I C 0.009 176.206 176.117 0.134 0.000 1.159 344 I CA 1.271 62.652 61.300 0.135 0.000 2.207 344 I CB -1.230 36.821 38.000 0.084 0.000 1.674 344 I HN 0.266 nan 8.210 nan 0.000 1.058 345 S N 4.109 119.884 115.700 0.125 0.000 2.599 345 S HA 0.493 5.005 4.470 0.069 0.000 0.269 345 S C -0.783 173.874 174.600 0.096 0.000 1.135 345 S CA -0.943 57.331 58.200 0.124 0.000 1.027 345 S CB 1.862 65.112 63.200 0.084 0.000 1.129 345 S HN 0.416 nan 8.310 nan 0.000 0.458 356 L N 2.526 123.804 121.223 0.093 0.000 2.559 356 L HA -0.050 4.332 4.340 0.069 0.000 0.274 356 L C 1.053 178.039 176.870 0.193 0.000 1.205 356 L CA 0.419 55.368 54.840 0.181 0.000 0.907 356 L CB 0.436 42.556 42.059 0.102 0.000 1.153 356 L HN 0.645 nan 8.230 nan 0.000 0.490 357 W N 2.649 123.977 121.300 0.047 0.000 2.308 357 W HA -0.273 4.426 4.660 0.065 0.000 0.301 357 W C 1.448 178.102 176.519 0.226 0.000 1.220 357 W CA 1.733 59.124 57.345 0.077 0.000 1.240 357 W CB -2.146 27.340 29.460 0.045 0.000 1.142 357 W HN 0.719 nan 8.180 nan 0.000 0.521 358 T N -1.194 112.992 114.554 -0.612 0.000 3.118 358 T HA -0.071 4.320 4.350 0.069 0.000 0.260 358 T C 1.221 175.738 174.700 -0.304 0.000 1.139 358 T CA 0.786 62.558 62.100 -0.547 0.000 1.085 358 T CB -0.827 67.495 68.868 -0.911 0.000 0.934 358 T HN 0.028 nan 8.240 nan 0.000 0.518 359 N N 1.561 120.192 118.700 -0.116 0.000 2.666 359 N HA -0.037 4.744 4.740 0.069 0.000 0.194 359 N C 0.911 176.389 175.510 -0.053 0.000 1.220 359 N CA 0.699 53.695 53.050 -0.091 0.000 0.928 359 N CB -0.376 38.089 38.487 -0.037 0.000 0.997 359 N HN 0.890 nan 8.380 nan 0.000 0.447 360 Y N -2.014 118.221 120.300 -0.108 0.000 2.481 360 Y HA 0.370 4.959 4.550 0.065 0.000 0.258 360 Y C 0.981 176.842 175.900 -0.065 0.000 1.103 360 Y CA -0.643 57.418 58.100 -0.064 0.000 1.287 360 Y CB -0.171 38.260 38.460 -0.049 0.000 1.108 360 Y HN -0.195 nan 8.280 nan 0.000 0.529 361 S N 1.132 116.156 115.700 -1.127 0.000 2.548 361 S HA 0.217 4.728 4.470 0.069 0.000 0.277 361 S C 0.837 175.213 174.600 -0.374 0.000 1.315 361 S CA -0.581 57.114 58.200 -0.841 0.000 1.050 361 S CB 0.756 63.432 63.200 -0.873 0.000 0.918 361 S HN 0.488 nan 8.310 nan 0.000 0.497 362 R N 2.396 122.755 120.500 -0.235 0.000 2.316 362 R HA 0.115 4.496 4.340 0.069 0.000 0.202 362 R C 0.203 176.446 176.300 -0.096 0.000 1.029 362 R CA 0.460 56.482 56.100 -0.131 0.000 1.018 362 R CB -0.185 30.065 30.300 -0.083 0.000 0.888 362 R HN 0.572 nan 8.270 nan 0.000 0.471 363 K N 0.395 120.709 120.400 -0.144 0.000 2.530 363 K HA -0.127 4.235 4.320 0.069 0.000 0.280 363 K C -0.399 176.180 176.600 -0.034 0.000 1.004 363 K CA 0.539 56.772 56.287 -0.091 0.000 1.071 363 K CB 0.138 32.547 32.500 -0.152 0.000 0.876 363 K HN 0.117 nan 8.250 nan 0.000 0.487 364 Y N 3.467 123.652 120.300 -0.192 0.000 2.330 364 Y HA 0.021 4.614 4.550 0.072 0.000 0.341 364 Y C -1.226 174.545 175.900 -0.215 0.000 1.278 364 Y CA -1.631 56.340 58.100 -0.214 0.000 1.453 364 Y CB 0.412 38.734 38.460 -0.230 0.000 1.342 364 Y HN 0.549 nan 8.280 nan 0.000 0.590 365 P HA 0.008 nan 4.420 nan 0.000 0.271 365 P C -1.173 176.054 177.300 -0.122 0.000 1.233 365 P CA -0.045 62.919 63.100 -0.227 0.000 0.789 365 P CB 0.847 32.226 31.700 -0.535 0.000 0.951 366 V N 2.722 122.602 119.914 -0.058 0.000 2.427 366 V HA 0.317 4.479 4.120 0.069 0.000 0.286 366 V C 0.435 176.552 176.094 0.038 0.000 1.034 366 V CA -0.467 61.828 62.300 -0.009 0.000 0.893 366 V CB 1.157 32.976 31.823 -0.007 0.000 0.982 366 V HN 0.369 nan 8.190 nan 0.000 0.452 367 I N 5.488 126.093 120.570 0.059 0.000 2.466 367 I HA 0.350 4.561 4.170 0.069 0.000 0.289 367 I C -0.609 175.545 176.117 0.061 0.000 1.026 367 I CA -0.618 60.749 61.300 0.112 0.000 1.078 367 I CB 1.936 40.056 38.000 0.201 0.000 1.249 367 I HN 0.370 nan 8.210 nan 0.000 0.429 368 L N 8.964 130.192 121.223 0.010 0.000 2.272 368 L HA 0.510 4.891 4.340 0.069 0.000 0.284 368 L C -2.356 174.397 176.870 -0.195 0.000 1.045 368 L CA -1.651 53.147 54.840 -0.070 0.000 0.842 368 L CB 1.025 43.029 42.059 -0.092 0.000 1.224 368 L HN 0.213 nan 8.230 nan 0.000 0.430 369 P HA 0.012 nan 4.420 nan 0.000 0.268 369 P C -0.348 176.800 177.300 -0.254 0.000 1.208 369 P CA 0.361 63.397 63.100 -0.108 0.000 0.777 369 P CB 0.425 32.106 31.700 -0.032 0.000 0.875 370 Y N -0.391 119.879 120.300 -0.051 0.000 2.510 370 Y HA 0.201 4.792 4.550 0.069 0.000 0.273 370 Y C 0.938 176.764 175.900 -0.124 0.000 1.119 370 Y CA 0.797 58.856 58.100 -0.068 0.000 1.286 370 Y CB 0.621 39.044 38.460 -0.062 0.000 1.061 370 Y HN 0.316 nan 8.280 nan 0.000 0.542 371 E N -0.520 119.651 120.200 -0.050 0.000 2.378 371 E HA 0.489 4.880 4.350 0.069 0.000 0.283 371 E C -1.843 174.702 176.600 -0.093 0.000 0.979 371 E CA -0.553 55.784 56.400 -0.105 0.000 0.795 371 E CB 2.939 32.502 29.700 -0.229 0.000 1.221 371 E HN -0.308 nan 8.360 nan 0.000 0.428 372 V N 2.780 122.663 119.914 -0.052 0.000 2.569 372 V HA 0.315 4.476 4.120 0.069 0.000 0.301 372 V C -2.404 173.737 176.094 0.077 0.000 1.044 372 V CA -1.915 60.374 62.300 -0.017 0.000 0.874 372 V CB 1.678 33.479 31.823 -0.037 0.000 1.002 372 V HN 0.598 nan 8.190 nan 0.000 0.424 373 P HA -0.017 nan 4.420 nan 0.000 0.261 373 P C 0.786 178.204 177.300 0.197 0.000 1.158 373 P CA 0.458 63.681 63.100 0.206 0.000 0.758 373 P CB 0.510 32.402 31.700 0.320 0.000 0.763 374 E N 2.503 122.760 120.200 0.094 0.000 2.401 374 E HA -0.229 4.163 4.350 0.069 0.000 0.199 374 E C 1.676 178.293 176.600 0.028 0.000 1.023 374 E CA 0.649 57.080 56.400 0.052 0.000 0.859 374 E CB -0.062 29.649 29.700 0.018 0.000 0.780 374 E HN 0.510 nan 8.360 nan 0.000 0.523 375 K N 0.757 121.154 120.400 -0.004 0.000 2.097 375 K HA -0.150 4.211 4.320 0.069 0.000 0.206 375 K C 1.346 177.852 176.600 -0.157 0.000 1.049 375 K CA 1.080 57.295 56.287 -0.119 0.000 0.933 375 K CB -0.094 32.273 32.500 -0.221 0.000 0.717 375 K HN 0.047 nan 8.250 nan 0.000 0.442 376 F N 1.306 121.280 119.950 0.040 0.000 2.641 376 F HA 0.013 4.581 4.527 0.070 0.000 0.298 376 F C 2.096 177.866 175.800 -0.049 0.000 1.146 376 F CA 0.684 58.690 58.000 0.010 0.000 1.464 376 F CB -0.012 38.991 39.000 0.005 0.000 1.101 376 F HN 0.011 nan 8.300 nan 0.000 0.585 377 R N -0.150 120.388 120.500 0.063 0.000 2.075 377 R HA -0.102 4.279 4.340 0.069 0.000 0.226 377 R C 2.087 178.349 176.300 -0.064 0.000 1.114 377 R CA 1.105 57.176 56.100 -0.048 0.000 0.972 377 R CB -0.233 30.033 30.300 -0.058 0.000 0.869 377 R HN 0.039 nan 8.270 nan 0.000 0.437 378 K N 1.314 121.692 120.400 -0.037 0.000 2.044 378 K HA 0.047 4.408 4.320 0.069 0.000 0.204 378 K C 0.401 176.990 176.600 -0.017 0.000 1.049 378 K CA 0.550 56.816 56.287 -0.035 0.000 0.945 378 K CB -0.207 32.271 32.500 -0.035 0.000 0.724 378 K HN -0.041 nan 8.250 nan 0.000 0.440 379 I N 2.747 123.315 120.570 -0.004 0.000 3.184 379 I HA -0.281 3.930 4.170 0.069 0.000 0.333 379 I C 1.498 177.638 176.117 0.038 0.000 1.214 379 I CA 0.310 61.624 61.300 0.024 0.000 1.465 379 I CB 0.220 38.255 38.000 0.058 0.000 1.308 379 I HN 0.300 nan 8.210 nan 0.000 0.525 380 R N 5.166 125.685 120.500 0.032 0.000 2.104 380 R HA -0.043 4.338 4.340 0.069 0.000 0.208 380 R C 0.683 177.007 176.300 0.040 0.000 1.168 380 R CA 1.173 57.289 56.100 0.028 0.000 0.950 380 R CB -0.020 30.291 30.300 0.018 0.000 0.778 380 R HN 0.802 nan 8.270 nan 0.000 0.482 381 E N 0.064 120.290 120.200 0.042 0.000 2.405 381 E HA 0.476 4.867 4.350 0.069 0.000 0.249 381 E C -0.665 175.991 176.600 0.093 0.000 1.028 381 E CA -0.605 55.821 56.400 0.043 0.000 0.897 381 E CB 1.343 31.058 29.700 0.026 0.000 1.262 381 E HN 0.183 nan 8.360 nan 0.000 0.442 382 I N 1.147 121.785 120.570 0.112 0.000 2.576 382 I HA 0.239 4.450 4.170 0.069 0.000 0.279 382 I C -2.553 173.647 176.117 0.137 0.000 1.114 382 I CA -2.227 59.177 61.300 0.174 0.000 1.076 382 I CB 2.031 40.202 38.000 0.285 0.000 1.212 382 I HN 0.368 nan 8.210 nan 0.000 0.472 383 P HA 0.139 nan 4.420 nan 0.000 0.265 383 P C -0.801 176.376 177.300 -0.206 0.000 1.193 383 P CA 0.049 63.088 63.100 -0.102 0.000 0.765 383 P CB 0.427 32.075 31.700 -0.087 0.000 0.823 384 M N 3.656 123.056 119.600 -0.333 0.000 2.078 384 M HA 0.360 4.882 4.480 0.069 0.000 0.320 384 M C -0.881 175.171 176.300 -0.414 0.000 0.969 384 M CA -0.364 54.812 55.300 -0.206 0.000 0.929 384 M CB 0.256 32.877 32.600 0.035 0.000 1.504 384 M HN 0.186 nan 8.290 nan 0.000 0.419 385 F N 3.779 123.724 119.950 -0.009 0.000 2.420 385 F HA 0.537 5.105 4.527 0.069 0.000 0.342 385 F C 0.505 176.285 175.800 -0.033 0.000 1.113 385 F CA -0.693 57.277 58.000 -0.050 0.000 1.059 385 F CB 1.211 40.159 39.000 -0.086 0.000 1.128 385 F HN 0.321 nan 8.300 nan 0.000 0.475 386 I N 5.486 126.141 120.570 0.143 0.000 2.371 386 I HA 0.269 4.481 4.170 0.069 0.000 0.282 386 I C -0.466 175.720 176.117 0.115 0.000 1.031 386 I CA -0.570 60.801 61.300 0.119 0.000 1.180 386 I CB 0.729 38.821 38.000 0.155 0.000 1.336 386 I HN 0.421 nan 8.210 nan 0.000 0.467 387 I N 7.190 127.808 120.570 0.080 0.000 2.297 387 I HA 0.265 4.477 4.170 0.069 0.000 0.291 387 I C 0.073 176.263 176.117 0.122 0.000 1.033 387 I CA 0.042 61.389 61.300 0.077 0.000 1.253 387 I CB 0.717 38.738 38.000 0.035 0.000 1.396 387 I HN 0.245 nan 8.210 nan 0.000 0.476 388 L N 5.314 126.608 121.223 0.119 0.000 2.296 388 L HA 0.383 4.764 4.340 0.069 0.000 0.286 388 L C -0.067 176.863 176.870 0.099 0.000 1.023 388 L CA -0.862 54.061 54.840 0.138 0.000 0.812 388 L CB 1.203 43.341 42.059 0.131 0.000 1.223 388 L HN 0.459 nan 8.230 nan 0.000 0.421 389 D N 1.614 122.078 120.400 0.108 0.000 2.363 389 D HA -0.030 4.651 4.640 0.069 0.000 0.263 389 D C 1.343 177.681 176.300 0.063 0.000 1.258 389 D CA 0.101 54.146 54.000 0.074 0.000 0.907 389 D CB 1.166 42.016 40.800 0.083 0.000 1.107 389 D HN 0.583 nan 8.370 nan 0.000 0.495 390 S N 2.025 117.752 115.700 0.045 0.000 2.465 390 S HA -0.116 4.396 4.470 0.069 0.000 0.241 390 S C 1.907 176.529 174.600 0.037 0.000 1.000 390 S CA 0.726 58.950 58.200 0.039 0.000 0.964 390 S CB -0.187 63.030 63.200 0.028 0.000 0.763 390 S HN 0.484 nan 8.310 nan 0.000 0.512 391 G N 0.648 109.470 108.800 0.036 0.000 2.813 391 G HA2 0.302 4.303 3.960 0.069 0.000 0.209 391 G HA3 0.302 4.303 3.960 0.069 0.000 0.209 391 G C 0.394 175.319 174.900 0.042 0.000 1.150 391 G CA -0.290 44.830 45.100 0.033 0.000 0.785 391 G HN 0.480 nan 8.290 nan 0.000 0.535 392 L N 0.837 122.093 121.223 0.055 0.000 2.395 392 L HA 0.326 4.707 4.340 0.069 0.000 0.269 392 L C 0.553 177.455 176.870 0.052 0.000 1.133 392 L CA -0.788 54.089 54.840 0.062 0.000 0.812 392 L CB 1.390 43.500 42.059 0.084 0.000 1.125 392 L HN -0.038 nan 8.230 nan 0.000 0.452 393 L N 1.906 123.156 121.223 0.045 0.000 2.485 393 L HA -0.040 4.341 4.340 0.069 0.000 0.275 393 L C 1.551 178.447 176.870 0.043 0.000 1.207 393 L CA 0.143 55.004 54.840 0.036 0.000 0.855 393 L CB 0.882 42.956 42.059 0.024 0.000 1.114 393 L HN 0.902 nan 8.230 nan 0.000 0.485 394 A N 2.617 125.460 122.820 0.038 0.000 1.903 394 A HA -0.299 4.062 4.320 0.069 0.000 0.219 394 A C 1.806 179.420 177.584 0.051 0.000 1.191 394 A CA 2.271 54.334 52.037 0.043 0.000 0.638 394 A CB -0.806 18.215 19.000 0.035 0.000 0.823 394 A HN 1.027 nan 8.150 nan 0.000 0.451 395 D N -0.582 119.842 120.400 0.041 0.000 2.218 395 D HA -0.158 4.523 4.640 0.069 0.000 0.204 395 D C 1.494 177.839 176.300 0.074 0.000 0.976 395 D CA 1.321 55.348 54.000 0.045 0.000 0.853 395 D CB -0.254 40.555 40.800 0.015 0.000 0.939 395 D HN 0.349 nan 8.370 nan 0.000 0.481 396 I N 0.442 121.052 120.570 0.067 0.000 2.353 396 I HA -0.154 4.057 4.170 0.069 0.000 0.248 396 I C 2.383 178.588 176.117 0.145 0.000 1.119 396 I CA 1.054 62.416 61.300 0.103 0.000 1.417 396 I CB -1.104 36.941 38.000 0.074 0.000 1.078 396 I HN 0.213 nan 8.210 nan 0.000 0.421 397 Q N 0.212 120.077 119.800 0.108 0.000 2.046 397 Q HA -0.198 4.184 4.340 0.069 0.000 0.200 397 Q C 2.159 178.213 176.000 0.089 0.000 0.975 397 Q CA 1.359 57.224 55.803 0.103 0.000 0.836 397 Q CB -0.198 28.592 28.738 0.088 0.000 0.896 397 Q HN 0.458 nan 8.270 nan 0.000 0.428 398 N N 0.349 119.103 118.700 0.089 0.000 2.069 398 N HA -0.182 4.600 4.740 0.069 0.000 0.191 398 N C 1.645 177.197 175.510 0.071 0.000 1.031 398 N CA 1.126 54.220 53.050 0.073 0.000 0.852 398 N CB -0.138 38.394 38.487 0.076 0.000 1.018 398 N HN 0.148 nan 8.380 nan 0.000 0.423 399 F N 1.760 121.682 119.950 -0.047 0.000 2.095 399 F HA -0.111 4.457 4.527 0.068 0.000 0.298 399 F C 2.365 178.066 175.800 -0.164 0.000 1.104 399 F CA 1.702 59.653 58.000 -0.082 0.000 1.232 399 F CB -0.776 38.183 39.000 -0.069 0.000 0.987 399 F HN 0.094 nan 8.300 nan 0.000 0.475 400 A N -0.104 122.590 122.820 -0.210 0.000 1.902 400 A HA -0.221 4.140 4.320 0.069 0.000 0.217 400 A C 2.256 179.466 177.584 -0.624 0.000 1.181 400 A CA 2.692 54.387 52.037 -0.569 0.000 0.623 400 A CB -1.673 17.174 19.000 -0.255 0.000 0.818 400 A HN 0.549 nan 8.150 nan 0.000 0.443 401 T N -1.323 113.130 114.554 -0.168 0.000 2.759 401 T HA -0.178 4.214 4.350 0.069 0.000 0.269 401 T C 1.637 176.263 174.700 -0.124 0.000 1.042 401 T CA 1.510 63.609 62.100 -0.000 0.000 1.140 401 T CB -0.560 68.339 68.868 0.052 0.000 0.864 401 T HN 0.421 nan 8.240 nan 0.000 0.455 402 N N 1.116 119.684 118.700 -0.219 0.000 2.171 402 N HA -0.032 4.749 4.740 0.069 0.000 0.184 402 N C 2.025 177.334 175.510 -0.336 0.000 1.021 402 N CA 0.928 53.842 53.050 -0.227 0.000 0.854 402 N CB -0.340 38.032 38.487 -0.192 0.000 0.994 402 N HN 0.409 nan 8.380 nan 0.000 0.426 403 E N 0.509 120.370 120.200 -0.566 0.000 2.031 403 E HA -0.093 4.299 4.350 0.069 0.000 0.193 403 E C 1.863 178.176 176.600 -0.478 0.000 0.994 403 E CA 0.792 56.865 56.400 -0.545 0.000 0.800 403 E CB -0.355 28.882 29.700 -0.772 0.000 0.752 403 E HN 0.292 nan 8.360 nan 0.000 0.447 404 F N 1.013 120.716 119.950 -0.410 0.000 2.171 404 F HA -0.103 4.467 4.527 0.071 0.000 0.300 404 F C 2.509 177.932 175.800 -0.629 0.000 1.090 404 F CA 0.882 58.504 58.000 -0.630 0.000 1.293 404 F CB -0.766 37.967 39.000 -0.445 0.000 1.013 404 F HN -0.041 nan 8.300 nan 0.000 0.486 405 R N 0.155 120.535 120.500 -0.200 0.000 2.091 405 R HA -0.156 4.225 4.340 0.069 0.000 0.238 405 R C 2.098 178.240 176.300 -0.265 0.000 1.136 405 R CA 1.417 57.407 56.100 -0.183 0.000 0.959 405 R CB -0.372 29.865 30.300 -0.105 0.000 0.856 405 R HN 0.208 nan 8.270 nan 0.000 0.437 406 E N 0.812 120.821 120.200 -0.319 0.000 2.106 406 E HA -0.144 4.248 4.350 0.069 0.000 0.192 406 E C 2.018 178.217 176.600 -0.668 0.000 0.984 406 E CA 0.654 56.856 56.400 -0.331 0.000 0.806 406 E CB -0.201 29.415 29.700 -0.139 0.000 0.750 406 E HN 0.328 nan 8.360 nan 0.000 0.458 407 L N 1.074 121.638 121.223 -1.100 0.000 2.017 407 L HA -0.167 4.215 4.340 0.069 0.000 0.208 407 L C 2.556 178.976 176.870 -0.749 0.000 1.073 407 L CA 1.425 55.479 54.840 -1.310 0.000 0.745 407 L CB -0.297 41.041 42.059 -1.203 0.000 0.894 407 L HN 0.085 nan 8.230 nan 0.000 0.432 408 V N -2.455 117.060 119.914 -0.665 0.000 2.332 408 V HA -0.298 3.864 4.120 0.069 0.000 0.248 408 V C 2.393 178.224 176.094 -0.439 0.000 1.055 408 V CA 1.855 63.840 62.300 -0.524 0.000 1.038 408 V CB -0.886 30.743 31.823 -0.325 0.000 0.651 408 V HN 0.421 nan 8.190 nan 0.000 0.450 409 K N 1.865 122.131 120.400 -0.224 0.000 2.009 409 K HA -0.169 4.193 4.320 0.069 0.000 0.210 409 K C 2.574 179.150 176.600 -0.039 0.000 1.049 409 K CA 2.278 58.546 56.287 -0.031 0.000 0.929 409 K CB -0.544 31.929 32.500 -0.045 0.000 0.714 409 K HN 0.774 nan 8.250 nan 0.000 0.440 410 S N 0.712 116.330 115.700 -0.136 0.000 2.402 410 S HA -0.102 4.410 4.470 0.069 0.000 0.229 410 S C 2.046 176.591 174.600 -0.091 0.000 1.021 410 S CA 0.757 58.914 58.200 -0.073 0.000 0.974 410 S CB -0.136 63.031 63.200 -0.055 0.000 0.800 410 S HN 0.101 nan 8.310 nan 0.000 0.484 411 M N 0.703 120.169 119.600 -0.224 0.000 2.080 411 M HA 0.063 4.585 4.480 0.069 0.000 0.260 411 M C 0.218 176.406 176.300 -0.187 0.000 1.068 411 M CA 1.284 56.425 55.300 -0.267 0.000 1.109 411 M CB -0.978 31.362 32.600 -0.433 0.000 1.342 411 M HN 0.304 nan 8.290 nan 0.000 0.405 412 Y N -1.215 119.071 120.300 -0.024 0.000 2.281 412 Y HA 0.064 4.656 4.550 0.069 0.000 0.337 412 Y C 0.445 176.391 175.900 0.077 0.000 1.304 412 Y CA -1.053 57.047 58.100 -0.000 0.000 1.465 412 Y CB -0.421 38.054 38.460 0.025 0.000 1.350 412 Y HN 0.146 nan 8.280 nan 0.000 0.575 413 Y N -0.209 120.180 120.300 0.149 0.000 3.225 413 Y HA -0.309 4.283 4.550 0.070 0.000 0.211 413 Y C 1.199 177.115 175.900 0.026 0.000 1.223 413 Y CA 1.222 59.361 58.100 0.065 0.000 1.284 413 Y CB -1.426 37.058 38.460 0.040 0.000 1.367 413 Y HN 0.588 nan 8.280 nan 0.000 0.566 414 S N -1.945 113.816 115.700 0.102 0.000 2.786 414 S HA 0.221 4.732 4.470 0.069 0.000 0.269 414 S C 1.137 175.709 174.600 -0.047 0.000 1.040 414 S CA 0.323 58.543 58.200 0.034 0.000 1.099 414 S CB -0.475 62.726 63.200 0.002 0.000 0.936 414 S HN 0.294 nan 8.310 nan 0.000 0.450 415 L N 1.502 122.670 121.223 -0.091 0.000 2.446 415 L HA 0.472 4.853 4.340 0.069 0.000 0.219 415 L C 1.199 177.992 176.870 -0.128 0.000 1.116 415 L CA 0.997 55.705 54.840 -0.220 0.000 0.844 415 L CB 0.127 41.970 42.059 -0.360 0.000 0.970 415 L HN 0.444 nan 8.230 nan 0.000 0.457 416 A N -1.419 121.359 122.820 -0.069 0.000 2.676 416 A HA 0.169 4.531 4.320 0.069 0.000 0.258 416 A C 0.932 178.447 177.584 -0.114 0.000 0.898 416 A CA -0.284 51.733 52.037 -0.033 0.000 1.087 416 A CB 0.130 19.178 19.000 0.081 0.000 1.214 416 A HN -0.140 nan 8.150 nan 0.000 0.474 417 K N 0.684 121.059 120.400 -0.041 0.000 2.476 417 K HA 0.172 4.534 4.320 0.069 0.000 0.196 417 K C 0.821 177.468 176.600 0.079 0.000 1.025 417 K CA 0.527 56.857 56.287 0.073 0.000 1.138 417 K CB -0.086 32.531 32.500 0.196 0.000 0.860 417 K HN 0.601 nan 8.250 nan 0.000 0.515 418 K N -1.165 119.266 120.400 0.052 0.000 2.558 418 K HA 0.009 4.370 4.320 0.069 0.000 0.215 418 K C -0.500 176.163 176.600 0.105 0.000 1.298 418 K CA -0.312 56.013 56.287 0.063 0.000 1.008 418 K CB 0.446 32.962 32.500 0.026 0.000 1.073 418 K HN -0.102 nan 8.250 nan 0.000 0.606 443 E N 2.464 122.628 120.200 -0.060 0.000 2.073 443 E HA 0.166 4.558 4.350 0.069 0.000 0.269 443 E C -1.566 174.953 176.600 -0.135 0.000 0.917 443 E CA -0.214 56.129 56.400 -0.095 0.000 0.757 443 E CB 1.312 30.998 29.700 -0.023 0.000 1.111 443 E HN 0.100 nan 8.360 nan 0.000 0.410 444 K N 3.751 123.998 120.400 -0.255 0.000 2.307 444 K HA 0.322 4.683 4.320 0.069 0.000 0.263 444 K C -1.038 175.510 176.600 -0.087 0.000 0.973 444 K CA -0.719 55.418 56.287 -0.250 0.000 0.846 444 K CB 1.589 33.772 32.500 -0.529 0.000 1.100 444 K HN 0.267 nan 8.250 nan 0.000 0.438 445 V N 6.447 126.334 119.914 -0.046 0.000 2.383 445 V HA 0.362 4.523 4.120 0.069 0.000 0.275 445 V C 0.014 176.117 176.094 0.016 0.000 1.036 445 V CA -0.549 61.761 62.300 0.017 0.000 0.889 445 V CB 0.940 32.781 31.823 0.030 0.000 0.985 445 V HN 0.654 nan 8.190 nan 0.000 0.459 446 I N 4.214 124.809 120.570 0.043 0.000 2.406 446 I HA 0.448 4.659 4.170 0.069 0.000 0.290 446 I C -0.102 176.040 176.117 0.041 0.000 0.999 446 I CA -0.148 61.169 61.300 0.028 0.000 1.124 446 I CB 2.195 40.205 38.000 0.018 0.000 1.289 446 I HN 0.500 nan 8.210 nan 0.000 0.441 447 T N 5.418 119.993 114.554 0.034 0.000 2.809 447 T HA 0.543 4.934 4.350 0.069 0.000 0.284 447 T C -0.555 174.161 174.700 0.027 0.000 0.992 447 T CA -0.683 61.440 62.100 0.040 0.000 0.957 447 T CB 1.430 70.323 68.868 0.042 0.000 0.942 447 T HN 0.409 nan 8.240 nan 0.000 0.439 448 E N 1.240 121.454 120.200 0.025 0.000 2.430 448 E HA 0.195 4.586 4.350 0.069 0.000 0.279 448 E C -1.346 175.261 176.600 0.011 0.000 1.003 448 E CA -0.811 55.596 56.400 0.013 0.000 0.801 448 E CB 1.700 31.401 29.700 0.001 0.000 1.313 448 E HN 0.518 nan 8.360 nan 0.000 0.459 449 D N 2.018 122.420 120.400 0.003 0.000 2.383 449 D HA 0.048 4.730 4.640 0.069 0.000 0.245 449 D C 0.640 176.929 176.300 -0.018 0.000 1.263 449 D CA -0.194 53.805 54.000 -0.002 0.000 0.936 449 D CB 0.260 41.058 40.800 -0.003 0.000 1.053 449 D HN 0.120 nan 8.370 nan 0.000 0.507 450 L N 3.907 125.116 121.223 -0.024 0.000 2.633 450 L HA -0.032 4.349 4.340 0.069 0.000 0.235 450 L C 1.712 178.525 176.870 -0.095 0.000 1.163 450 L CA 0.684 55.490 54.840 -0.057 0.000 0.859 450 L CB -1.122 40.904 42.059 -0.056 0.000 0.973 450 L HN 0.344 nan 8.230 nan 0.000 0.451 451 N N -1.389 117.270 118.700 -0.067 0.000 2.282 451 N HA -0.004 4.778 4.740 0.069 0.000 0.185 451 N C 0.425 175.906 175.510 -0.049 0.000 1.099 451 N CA 0.301 53.308 53.050 -0.072 0.000 0.878 451 N CB 0.504 38.962 38.487 -0.048 0.000 0.993 451 N HN 0.256 nan 8.380 nan 0.000 0.481 452 S N -1.169 114.509 115.700 -0.036 0.000 2.549 452 S HA 0.338 4.850 4.470 0.069 0.000 0.297 452 S C 0.298 174.881 174.600 -0.028 0.000 1.115 452 S CA -0.733 57.453 58.200 -0.024 0.000 1.059 452 S CB 1.632 64.824 63.200 -0.013 0.000 1.046 452 S HN -0.043 nan 8.310 nan 0.000 0.506 453 D N 1.836 122.223 120.400 -0.022 0.000 2.218 453 D HA -0.036 4.646 4.640 0.069 0.000 0.204 453 D C 1.353 177.640 176.300 -0.021 0.000 0.976 453 D CA 1.173 55.159 54.000 -0.023 0.000 0.853 453 D CB -0.093 40.698 40.800 -0.015 0.000 0.939 453 D HN 0.590 nan 8.370 nan 0.000 0.481 454 K N 0.118 120.508 120.400 -0.016 0.000 2.103 454 K HA 0.046 4.408 4.320 0.069 0.000 0.204 454 K C 2.088 178.678 176.600 -0.016 0.000 1.052 454 K CA 1.068 57.347 56.287 -0.013 0.000 0.945 454 K CB -0.693 31.802 32.500 -0.007 0.000 0.722 454 K HN 0.133 nan 8.250 nan 0.000 0.443 455 G N 0.930 109.720 108.800 -0.018 0.000 2.403 455 G HA2 -0.151 3.850 3.960 0.069 0.000 0.216 455 G HA3 -0.151 3.850 3.960 0.069 0.000 0.216 455 G C 1.559 176.442 174.900 -0.027 0.000 1.154 455 G CA 0.488 45.577 45.100 -0.018 0.000 0.784 455 G HN 0.180 nan 8.290 nan 0.000 0.538 456 I N 0.541 121.090 120.570 -0.035 0.000 2.286 456 I HA -0.136 4.075 4.170 0.069 0.000 0.248 456 I C 2.620 178.710 176.117 -0.046 0.000 1.115 456 I CA 0.772 62.046 61.300 -0.044 0.000 1.392 456 I CB -0.190 37.781 38.000 -0.049 0.000 1.065 456 I HN 0.163 nan 8.210 nan 0.000 0.418 457 I N 0.277 120.824 120.570 -0.038 0.000 2.179 457 I HA -0.253 3.959 4.170 0.069 0.000 0.242 457 I C 2.649 178.744 176.117 -0.037 0.000 1.088 457 I CA 1.235 62.512 61.300 -0.038 0.000 1.357 457 I CB -0.417 37.566 38.000 -0.028 0.000 1.051 457 I HN 0.212 nan 8.210 nan 0.000 0.409 458 E N 0.628 120.811 120.200 -0.028 0.000 2.110 458 E HA -0.159 4.232 4.350 0.069 0.000 0.193 458 E C 2.327 178.906 176.600 -0.034 0.000 0.988 458 E CA 1.056 57.443 56.400 -0.022 0.000 0.804 458 E CB -0.122 29.570 29.700 -0.012 0.000 0.745 458 E HN 0.296 nan 8.360 nan 0.000 0.458 459 V N 0.455 120.342 119.914 -0.045 0.000 2.237 459 V HA -0.241 3.920 4.120 0.069 0.000 0.245 459 V C 2.603 178.634 176.094 -0.106 0.000 1.046 459 V CA 1.518 63.777 62.300 -0.068 0.000 1.007 459 V CB -0.604 31.181 31.823 -0.063 0.000 0.638 459 V HN 0.080 nan 8.190 nan 0.000 0.445 460 V N -0.042 119.812 119.914 -0.100 0.000 2.392 460 V HA -0.289 3.873 4.120 0.069 0.000 0.249 460 V C 2.407 178.440 176.094 -0.102 0.000 1.059 460 V CA 2.150 64.378 62.300 -0.120 0.000 1.051 460 V CB -0.732 31.032 31.823 -0.099 0.000 0.658 460 V HN 0.644 nan 8.190 nan 0.000 0.455 461 E N -0.271 119.889 120.200 -0.065 0.000 2.047 461 E HA -0.243 4.148 4.350 0.069 0.000 0.191 461 E C 2.335 178.926 176.600 -0.016 0.000 0.987 461 E CA 1.283 57.661 56.400 -0.037 0.000 0.799 461 E CB -0.203 29.485 29.700 -0.019 0.000 0.752 461 E HN 0.678 nan 8.360 nan 0.000 0.449 462 Q N 0.468 120.257 119.800 -0.018 0.000 2.135 462 Q HA -0.149 4.232 4.340 0.069 0.000 0.204 462 Q C 2.372 178.381 176.000 0.014 0.000 0.981 462 Q CA 1.340 57.157 55.803 0.023 0.000 0.856 462 Q CB -0.064 28.672 28.738 -0.003 0.000 0.902 462 Q HN 0.131 nan 8.270 nan 0.000 0.425 463 V N 0.253 120.074 119.914 -0.155 0.000 2.307 463 V HA -0.250 3.911 4.120 0.069 0.000 0.245 463 V C 2.364 178.376 176.094 -0.136 0.000 1.045 463 V CA 1.786 63.856 62.300 -0.383 0.000 1.024 463 V CB -0.643 30.747 31.823 -0.722 0.000 0.651 463 V HN 0.386 nan 8.190 nan 0.000 0.449 464 S N -0.344 115.295 115.700 -0.102 0.000 2.380 464 S HA -0.307 4.204 4.470 0.069 0.000 0.229 464 S C 2.337 176.959 174.600 0.036 0.000 1.043 464 S CA 2.449 60.622 58.200 -0.045 0.000 1.038 464 S CB -0.515 62.654 63.200 -0.051 0.000 0.872 464 S HN 0.618 nan 8.310 nan 0.000 0.456 465 S N -0.373 115.381 115.700 0.090 0.000 2.359 465 S HA -0.101 4.411 4.470 0.069 0.000 0.223 465 S C 1.545 176.250 174.600 0.175 0.000 1.039 465 S CA 1.700 59.980 58.200 0.134 0.000 1.042 465 S CB -0.714 62.608 63.200 0.203 0.000 0.915 465 S HN 0.618 nan 8.310 nan 0.000 0.439 466 F N 0.775 120.788 119.950 0.104 0.000 2.407 466 F HA 0.237 4.805 4.527 0.070 0.000 0.299 466 F C 2.135 178.046 175.800 0.184 0.000 1.097 466 F CA 0.615 58.722 58.000 0.178 0.000 1.422 466 F CB -0.178 39.030 39.000 0.347 0.000 1.067 466 F HN 0.250 nan 8.300 nan 0.000 0.539 467 M N 0.339 120.123 119.600 0.307 0.000 2.541 467 M HA 0.013 4.535 4.480 0.069 0.000 0.252 467 M C 0.542 176.889 176.300 0.077 0.000 1.125 467 M CA 0.382 55.802 55.300 0.200 0.000 1.091 467 M CB -0.982 31.692 32.600 0.123 0.000 1.420 467 M HN 0.024 nan 8.290 nan 0.000 0.486 468 K N 0.395 120.819 120.400 0.040 0.000 2.472 468 K HA 0.281 4.643 4.320 0.069 0.000 0.280 468 K C 1.031 177.626 176.600 -0.009 0.000 1.028 468 K CA 0.845 57.129 56.287 -0.004 0.000 1.045 468 K CB -0.107 32.381 32.500 -0.020 0.000 0.902 468 K HN 0.303 nan 8.250 nan 0.000 0.478 469 G N 1.563 110.352 108.800 -0.019 0.000 2.217 469 G HA2 -0.253 3.749 3.960 0.069 0.000 0.246 469 G HA3 -0.253 3.749 3.960 0.069 0.000 0.246 469 G C -0.408 174.488 174.900 -0.007 0.000 0.990 469 G CA 0.265 45.353 45.100 -0.019 0.000 0.627 469 G HN 0.561 nan 8.290 nan 0.000 0.522 470 K N 0.500 120.907 120.400 0.012 0.000 2.118 470 K HA 0.697 5.059 4.320 0.069 0.000 0.254 470 K C 1.025 177.635 176.600 0.016 0.000 0.961 470 K CA -0.435 55.871 56.287 0.031 0.000 0.876 470 K CB 1.491 34.038 32.500 0.079 0.000 1.077 470 K HN 0.194 nan 8.250 nan 0.000 0.440 471 E N 0.668 120.884 120.200 0.026 0.000 2.060 471 E HA 0.094 4.486 4.350 0.069 0.000 0.189 471 E C -0.165 176.481 176.600 0.077 0.000 0.974 471 E CA 0.532 56.943 56.400 0.017 0.000 0.808 471 E CB 0.411 30.122 29.700 0.018 0.000 0.768 471 E HN 0.267 nan 8.360 nan 0.000 0.453 472 L N -0.084 121.216 121.223 0.129 0.000 2.422 472 L HA 0.573 4.955 4.340 0.069 0.000 0.264 472 L C -0.846 176.144 176.870 0.200 0.000 0.984 472 L CA -0.686 54.273 54.840 0.199 0.000 0.819 472 L CB 2.076 44.271 42.059 0.228 0.000 1.330 472 L HN 0.052 nan 8.230 nan 0.000 0.410 473 G N 3.612 112.545 108.800 0.221 0.000 2.619 473 G HA2 0.714 4.715 3.960 0.069 0.000 0.296 473 G HA3 0.714 4.715 3.960 0.069 0.000 0.296 473 G C -1.990 173.044 174.900 0.224 0.000 1.334 473 G CA -0.530 44.730 45.100 0.267 0.000 0.934 473 G HN 0.462 nan 8.290 nan 0.000 0.476 474 L N 0.428 121.765 121.223 0.189 0.000 2.386 474 L HA 0.772 5.154 4.340 0.069 0.000 0.271 474 L C -0.006 176.831 176.870 -0.054 0.000 0.993 474 L CA -0.962 53.869 54.840 -0.015 0.000 0.819 474 L CB 2.377 44.354 42.059 -0.137 0.000 1.294 474 L HN 0.714 nan 8.230 nan 0.000 0.414 475 A N 2.887 125.535 122.820 -0.287 0.000 2.356 475 A HA 0.820 5.181 4.320 0.069 0.000 0.310 475 A C -1.480 175.697 177.584 -0.678 0.000 1.075 475 A CA -0.292 51.585 52.037 -0.266 0.000 0.746 475 A CB 0.776 19.719 19.000 -0.095 0.000 1.221 475 A HN 0.451 nan 8.150 nan 0.000 0.443 476 F N 2.296 122.053 119.950 -0.322 0.000 2.427 476 F HA 0.560 5.130 4.527 0.071 0.000 0.348 476 F C -0.027 175.312 175.800 -0.767 0.000 1.125 476 F CA -0.532 56.980 58.000 -0.814 0.000 0.989 476 F CB 1.599 39.740 39.000 -1.432 0.000 1.165 476 F HN 0.360 nan 8.300 nan 0.000 0.442 477 I N 3.146 123.547 120.570 -0.282 0.000 2.404 477 I HA 0.658 4.870 4.170 0.069 0.000 0.293 477 I C -0.253 176.039 176.117 0.292 0.000 0.992 477 I CA -0.976 60.340 61.300 0.027 0.000 1.149 477 I CB 1.822 39.876 38.000 0.091 0.000 1.315 477 I HN 0.620 nan 8.210 nan 0.000 0.446 478 A N 5.257 128.302 122.820 0.374 0.000 2.258 478 A HA 0.880 5.241 4.320 0.069 0.000 0.316 478 A C -0.343 177.404 177.584 0.272 0.000 1.279 478 A CA -0.393 51.881 52.037 0.394 0.000 0.876 478 A CB 0.743 19.970 19.000 0.378 0.000 1.170 478 A HN 0.822 nan 8.150 nan 0.000 0.520 479 A N 3.207 126.200 122.820 0.289 0.000 2.401 479 A HA 0.754 5.116 4.320 0.069 0.000 0.310 479 A C 0.071 177.797 177.584 0.237 0.000 1.075 479 A CA -0.840 51.353 52.037 0.259 0.000 0.746 479 A CB 0.949 20.181 19.000 0.386 0.000 1.277 479 A HN 0.857 nan 8.150 nan 0.000 0.425 480 R N 1.304 121.894 120.500 0.151 0.000 2.694 480 R HA 0.102 4.483 4.340 0.069 0.000 0.268 480 R C 0.225 176.628 176.300 0.172 0.000 1.061 480 R CA -0.545 55.632 56.100 0.128 0.000 1.133 480 R CB 0.446 30.790 30.300 0.073 0.000 1.020 480 R HN 0.751 nan 8.270 nan 0.000 0.475 481 N N 2.120 120.914 118.700 0.157 0.000 2.443 481 N HA -0.134 4.647 4.740 0.069 0.000 0.184 481 N C 0.844 176.445 175.510 0.152 0.000 1.037 481 N CA 1.093 54.251 53.050 0.180 0.000 0.896 481 N CB 0.076 38.636 38.487 0.122 0.000 0.959 481 N HN 0.456 nan 8.380 nan 0.000 0.442 482 K N 0.458 120.912 120.400 0.091 0.000 2.063 482 K HA -0.069 4.292 4.320 0.069 0.000 0.208 482 K C 0.348 176.959 176.600 0.017 0.000 1.048 482 K CA 0.336 56.653 56.287 0.051 0.000 0.928 482 K CB -0.204 32.312 32.500 0.027 0.000 0.713 482 K HN 0.020 nan 8.250 nan 0.000 0.442 483 L N 2.349 123.531 121.223 -0.069 0.000 2.593 483 L HA -0.115 4.266 4.340 0.069 0.000 0.287 483 L C 0.639 177.444 176.870 -0.108 0.000 1.243 483 L CA 0.560 55.239 54.840 -0.270 0.000 0.890 483 L CB 0.109 41.633 42.059 -0.892 0.000 1.134 483 L HN 0.179 nan 8.230 nan 0.000 0.502 484 S N 1.278 116.921 115.700 -0.095 0.000 2.614 484 S HA 0.244 4.756 4.470 0.069 0.000 0.265 484 S C 1.275 175.951 174.600 0.126 0.000 1.303 484 S CA -0.334 57.880 58.200 0.023 0.000 1.000 484 S CB 1.079 64.265 63.200 -0.023 0.000 0.935 484 S HN 0.586 nan 8.310 nan 0.000 0.551 485 S N 0.628 116.429 115.700 0.168 0.000 2.359 485 S HA -0.191 4.321 4.470 0.069 0.000 0.224 485 S C 1.797 176.504 174.600 0.178 0.000 1.035 485 S CA 1.432 59.771 58.200 0.231 0.000 1.018 485 S CB -0.702 62.572 63.200 0.124 0.000 0.876 485 S HN 0.890 nan 8.310 nan 0.000 0.448 486 E N 1.511 121.750 120.200 0.064 0.000 2.048 486 E HA -0.277 4.114 4.350 0.069 0.000 0.202 486 E C 1.854 178.471 176.600 0.028 0.000 1.021 486 E CA 1.428 57.844 56.400 0.027 0.000 0.825 486 E CB -0.139 29.540 29.700 -0.036 0.000 0.756 486 E HN 0.406 nan 8.360 nan 0.000 0.454 487 K N -0.662 119.719 120.400 -0.032 0.000 2.147 487 K HA -0.134 4.228 4.320 0.069 0.000 0.205 487 K C 2.097 178.656 176.600 -0.067 0.000 1.049 487 K CA 1.147 57.377 56.287 -0.095 0.000 0.936 487 K CB -0.213 32.169 32.500 -0.197 0.000 0.722 487 K HN 0.174 nan 8.250 nan 0.000 0.446 488 F N 1.519 121.493 119.950 0.039 0.000 2.128 488 F HA -0.136 4.433 4.527 0.069 0.000 0.295 488 F C 2.520 178.371 175.800 0.085 0.000 1.100 488 F CA 1.281 59.317 58.000 0.061 0.000 1.260 488 F CB -0.508 38.534 39.000 0.070 0.000 1.009 488 F HN 0.035 nan 8.300 nan 0.000 0.476 489 E N 0.417 120.794 120.200 0.295 0.000 2.110 489 E HA -0.192 4.200 4.350 0.069 0.000 0.193 489 E C 1.942 178.631 176.600 0.147 0.000 0.988 489 E CA 1.594 58.150 56.400 0.259 0.000 0.804 489 E CB -0.190 29.646 29.700 0.227 0.000 0.745 489 E HN 0.445 nan 8.360 nan 0.000 0.458 490 E N -0.282 119.960 120.200 0.070 0.000 2.072 490 E HA -0.097 4.295 4.350 0.069 0.000 0.190 490 E C 2.186 178.763 176.600 -0.039 0.000 0.982 490 E CA 0.971 57.362 56.400 -0.016 0.000 0.803 490 E CB -0.081 29.605 29.700 -0.024 0.000 0.755 490 E HN 0.354 nan 8.360 nan 0.000 0.453 491 I N 1.365 121.940 120.570 0.008 0.000 2.179 491 I HA -0.311 3.900 4.170 0.069 0.000 0.242 491 I C 2.348 178.467 176.117 0.004 0.000 1.088 491 I CA 1.302 62.604 61.300 0.002 0.000 1.357 491 I CB -0.178 37.848 38.000 0.044 0.000 1.051 491 I HN 0.031 nan 8.210 nan 0.000 0.409 492 K N 0.250 120.697 120.400 0.078 0.000 2.026 492 K HA -0.213 4.149 4.320 0.069 0.000 0.208 492 K C 2.287 178.805 176.600 -0.138 0.000 1.048 492 K CA 1.331 57.690 56.287 0.120 0.000 0.929 492 K CB -0.245 32.462 32.500 0.345 0.000 0.713 492 K HN 0.239 nan 8.250 nan 0.000 0.439 493 R N 1.315 121.548 120.500 -0.445 0.000 2.092 493 R HA -0.061 4.320 4.340 0.069 0.000 0.231 493 R C 2.121 178.101 176.300 -0.532 0.000 1.119 493 R CA 1.163 56.592 56.100 -1.120 0.000 0.970 493 R CB 0.052 29.703 30.300 -1.081 0.000 0.864 493 R HN 0.060 nan 8.270 nan 0.000 0.440 494 R N 0.095 120.420 120.500 -0.291 0.000 2.189 494 R HA -0.025 4.356 4.340 0.069 0.000 0.223 494 R C 2.136 178.341 176.300 -0.158 0.000 1.092 494 R CA 0.920 56.906 56.100 -0.191 0.000 0.989 494 R CB -0.055 30.163 30.300 -0.137 0.000 0.876 494 R HN 0.303 nan 8.270 nan 0.000 0.457 495 L N -0.970 120.176 121.223 -0.127 0.000 2.270 495 L HA -0.055 4.326 4.340 0.069 0.000 0.210 495 L C 1.981 178.821 176.870 -0.050 0.000 1.104 495 L CA 0.460 55.240 54.840 -0.101 0.000 0.804 495 L CB -0.211 41.807 42.059 -0.068 0.000 0.937 495 L HN 0.090 nan 8.230 nan 0.000 0.450 496 F N 1.250 121.105 119.950 -0.159 0.000 2.259 496 F HA -0.109 4.459 4.527 0.069 0.000 0.298 496 F C 2.281 178.014 175.800 -0.113 0.000 1.088 496 F CA 1.064 59.019 58.000 -0.074 0.000 1.358 496 F CB -0.255 38.764 39.000 0.030 0.000 1.040 496 F HN 0.102 nan 8.300 nan 0.000 0.505 497 N N 0.857 119.409 118.700 -0.247 0.000 2.348 497 N HA -0.148 4.633 4.740 0.069 0.000 0.185 497 N C 1.448 176.764 175.510 -0.322 0.000 1.019 497 N CA 1.234 54.114 53.050 -0.282 0.000 0.880 497 N CB -0.391 37.991 38.487 -0.176 0.000 0.965 497 N HN 0.368 nan 8.380 nan 0.000 0.437 498 L N 0.530 121.585 121.223 -0.280 0.000 2.653 498 L HA 0.183 4.564 4.340 0.069 0.000 0.232 498 L C -0.092 176.639 176.870 -0.232 0.000 1.169 498 L CA -0.161 54.547 54.840 -0.221 0.000 0.951 498 L CB -0.369 41.590 42.059 -0.168 0.000 1.181 498 L HN 0.001 nan 8.230 nan 0.000 0.460 499 N N 0.236 118.686 118.700 -0.417 0.000 2.740 499 N HA -0.141 4.640 4.740 0.069 0.000 0.248 499 N C -0.780 174.707 175.510 -0.038 0.000 1.062 499 N CA 0.445 53.288 53.050 -0.346 0.000 0.704 499 N CB -1.248 37.108 38.487 -0.219 0.000 0.968 499 N HN 0.095 nan 8.380 nan 0.000 0.547 500 V N 1.683 121.604 119.914 0.012 0.000 2.409 500 V HA 0.402 4.564 4.120 0.069 0.000 0.290 500 V C 0.514 176.775 176.094 0.279 0.000 1.017 500 V CA -0.819 61.567 62.300 0.142 0.000 0.841 500 V CB 1.929 33.772 31.823 0.032 0.000 1.003 500 V HN 0.045 nan 8.190 nan 0.000 0.426 501 I N 4.176 124.926 120.570 0.300 0.000 2.581 501 I HA 0.528 4.740 4.170 0.069 0.000 0.288 501 I C 0.688 176.864 176.117 0.098 0.000 1.047 501 I CA 0.449 61.934 61.300 0.308 0.000 1.374 501 I CB 1.619 39.775 38.000 0.260 0.000 1.423 501 I HN 0.797 nan 8.210 nan 0.000 0.549 502 S N 4.472 120.225 115.700 0.088 0.000 2.627 502 S HA 0.727 5.238 4.470 0.069 0.000 0.283 502 S C -0.910 173.646 174.600 -0.073 0.000 1.127 502 S CA -0.815 57.348 58.200 -0.061 0.000 0.863 502 S CB 2.781 65.983 63.200 0.004 0.000 1.121 502 S HN 0.475 nan 8.310 nan 0.000 0.479 503 Q N 0.991 120.695 119.800 -0.160 0.000 2.275 503 Q HA 0.596 4.978 4.340 0.069 0.000 0.266 503 Q C -1.912 174.105 176.000 0.028 0.000 1.002 503 Q CA -0.526 55.257 55.803 -0.032 0.000 0.761 503 Q CB 1.788 30.549 28.738 0.039 0.000 1.255 503 Q HN 0.714 nan 8.270 nan 0.000 0.446 504 V N 4.072 124.027 119.914 0.068 0.000 2.481 504 V HA 0.652 4.813 4.120 0.069 0.000 0.286 504 V C -0.495 175.688 176.094 0.148 0.000 1.042 504 V CA -0.655 61.710 62.300 0.109 0.000 0.928 504 V CB 1.776 33.618 31.823 0.031 0.000 0.986 504 V HN 0.631 nan 8.190 nan 0.000 0.462 505 V N 4.921 124.990 119.914 0.258 0.000 2.443 505 V HA 0.382 4.543 4.120 0.069 0.000 0.293 505 V C -0.205 176.022 176.094 0.221 0.000 1.021 505 V CA -0.972 61.475 62.300 0.244 0.000 0.848 505 V CB 1.874 33.907 31.823 0.349 0.000 0.998 505 V HN 1.097 nan 8.190 nan 0.000 0.424 506 N N 2.446 121.235 118.700 0.147 0.000 2.463 506 N HA 0.224 5.005 4.740 0.069 0.000 0.270 506 N C 0.905 176.506 175.510 0.152 0.000 1.205 506 N CA -0.630 52.523 53.050 0.171 0.000 0.974 506 N CB 0.829 39.401 38.487 0.141 0.000 1.197 506 N HN 0.665 nan 8.380 nan 0.000 0.504 507 E N -0.507 119.784 120.200 0.151 0.000 2.147 507 E HA -0.372 4.020 4.350 0.069 0.000 0.199 507 E C 0.888 177.540 176.600 0.086 0.000 1.005 507 E CA 1.585 58.054 56.400 0.115 0.000 0.810 507 E CB -0.091 29.670 29.700 0.101 0.000 0.736 507 E HN 0.733 nan 8.360 nan 0.000 0.460 508 D N -0.773 119.677 120.400 0.082 0.000 2.087 508 D HA -0.164 4.518 4.640 0.069 0.000 0.192 508 D C 1.707 178.042 176.300 0.058 0.000 0.993 508 D CA 2.175 56.210 54.000 0.059 0.000 0.828 508 D CB -0.064 40.769 40.800 0.055 0.000 0.968 508 D HN 0.187 nan 8.370 nan 0.000 0.448 509 T N 1.375 115.973 114.554 0.074 0.000 2.737 509 T HA -0.143 4.248 4.350 0.069 0.000 0.269 509 T C 2.064 176.825 174.700 0.101 0.000 1.040 509 T CA 0.816 62.965 62.100 0.082 0.000 1.142 509 T CB -0.236 68.686 68.868 0.090 0.000 0.861 509 T HN 0.222 nan 8.240 nan 0.000 0.456 510 L N -0.078 121.217 121.223 0.121 0.000 2.291 510 L HA 0.036 4.417 4.340 0.069 0.000 0.214 510 L C 2.432 179.304 176.870 0.003 0.000 1.120 510 L CA 1.100 56.043 54.840 0.172 0.000 0.799 510 L CB -0.304 41.881 42.059 0.209 0.000 0.925 510 L HN 0.213 nan 8.230 nan 0.000 0.446 511 K N -0.548 119.842 120.400 -0.017 0.000 2.370 511 K HA 0.132 4.493 4.320 0.069 0.000 0.194 511 K C 0.613 177.174 176.600 -0.065 0.000 1.070 511 K CA 0.168 56.407 56.287 -0.081 0.000 0.998 511 K CB 0.448 32.919 32.500 -0.048 0.000 0.911 511 K HN 0.253 nan 8.250 nan 0.000 0.533 512 N N 0.559 119.247 118.700 -0.021 0.000 2.197 512 N HA 0.065 4.847 4.740 0.069 0.000 0.228 512 N C 0.050 175.560 175.510 0.000 0.000 1.212 512 N CA 0.089 53.129 53.050 -0.016 0.000 0.883 512 N CB 0.924 39.409 38.487 -0.003 0.000 1.107 512 N HN -0.083 nan 8.380 nan 0.000 0.519 513 K N 0.920 121.331 120.400 0.017 0.000 2.676 513 K HA 0.253 4.614 4.320 0.069 0.000 0.205 513 K C 0.278 176.907 176.600 0.049 0.000 1.084 513 K CA -0.178 56.134 56.287 0.042 0.000 1.057 513 K CB 1.362 33.905 32.500 0.072 0.000 0.791 513 K HN 0.133 nan 8.250 nan 0.000 0.484 514 R N 1.015 121.524 120.500 0.014 0.000 2.679 514 R HA 0.091 4.473 4.340 0.069 0.000 0.269 514 R C -0.090 176.218 176.300 0.012 0.000 1.076 514 R CA -0.371 55.745 56.100 0.026 0.000 1.160 514 R CB 0.382 30.643 30.300 -0.065 0.000 1.054 514 R HN 0.005 nan 8.270 nan 0.000 0.507 515 D N 0.677 121.097 120.400 0.032 0.000 2.389 515 D HA 0.008 4.690 4.640 0.069 0.000 0.247 515 D C 0.610 176.888 176.300 -0.036 0.000 1.128 515 D CA 0.150 54.158 54.000 0.014 0.000 0.884 515 D CB 0.964 41.792 40.800 0.046 0.000 1.194 515 D HN 0.283 nan 8.370 nan 0.000 0.441 516 K N 2.103 122.435 120.400 -0.114 0.000 2.160 516 K HA -0.202 4.160 4.320 0.069 0.000 0.206 516 K C 0.719 177.096 176.600 -0.371 0.000 1.047 516 K CA 1.252 57.364 56.287 -0.291 0.000 0.930 516 K CB -0.081 32.139 32.500 -0.467 0.000 0.720 516 K HN 0.578 nan 8.250 nan 0.000 0.450 517 Y N -0.375 119.930 120.300 0.009 0.000 2.458 517 Y HA 0.160 4.713 4.550 0.005 0.000 0.256 517 Y C -0.325 175.587 175.900 0.020 0.000 1.159 517 Y CA -0.459 57.650 58.100 0.015 0.000 1.261 517 Y CB 0.706 39.178 38.460 0.020 0.000 1.119 517 Y HN -0.087 nan 8.280 nan 0.000 0.524 518 D N -0.224 120.246 120.400 0.117 0.000 2.318 518 D HA 0.125 4.806 4.640 0.069 0.000 0.233 518 D C 0.579 176.918 176.300 0.066 0.000 1.348 518 D CA -0.424 53.633 54.000 0.094 0.000 0.983 518 D CB 0.717 41.578 40.800 0.101 0.000 1.416 518 D HN 0.272 nan 8.370 nan 0.000 0.558 519 R N 2.040 122.558 120.500 0.030 0.000 2.328 519 R HA 0.061 4.443 4.340 0.069 0.000 0.207 519 R C -0.169 176.128 176.300 -0.005 0.000 1.056 519 R CA 0.626 56.711 56.100 -0.025 0.000 1.016 519 R CB -0.085 30.175 30.300 -0.066 0.000 0.872 519 R HN 0.037 nan 8.270 nan 0.000 0.471 520 N N 1.056 119.838 118.700 0.136 0.000 2.453 520 N HA 0.087 4.869 4.740 0.069 0.000 0.270 520 N C -0.940 174.857 175.510 0.478 0.000 1.195 520 N CA -0.012 53.248 53.050 0.351 0.000 0.902 520 N CB 0.704 39.314 38.487 0.205 0.000 1.186 520 N HN 0.300 nan 8.380 nan 0.000 0.510 521 R N 0.272 121.044 120.500 0.452 0.000 2.594 521 R HA 0.232 4.614 4.340 0.069 0.000 0.265 521 R C -1.537 174.903 176.300 0.234 0.000 1.070 521 R CA -0.613 55.617 56.100 0.215 0.000 0.909 521 R CB 0.977 31.320 30.300 0.071 0.000 1.243 521 R HN -0.140 nan 8.270 nan 0.000 0.455 522 L N 2.414 123.705 121.223 0.113 0.000 2.436 522 L HA 0.228 4.610 4.340 0.069 0.000 0.265 522 L C 0.149 177.019 176.870 -0.000 0.000 1.168 522 L CA 0.456 55.348 54.840 0.087 0.000 0.815 522 L CB 0.581 42.644 42.059 0.007 0.000 1.109 522 L HN 0.608 nan 8.230 nan 0.000 0.462 523 D N 1.181 121.598 120.400 0.029 0.000 2.478 523 D HA -0.115 4.567 4.640 0.069 0.000 0.234 523 D C 1.114 177.409 176.300 -0.008 0.000 1.154 523 D CA 0.189 54.209 54.000 0.033 0.000 0.874 523 D CB 0.861 41.714 40.800 0.088 0.000 1.198 523 D HN 0.441 nan 8.370 nan 0.000 0.455 524 L N 3.413 124.648 121.223 0.020 0.000 2.131 524 L HA -0.142 4.239 4.340 0.069 0.000 0.210 524 L C 1.900 178.825 176.870 0.092 0.000 1.092 524 L CA 1.374 56.227 54.840 0.021 0.000 0.759 524 L CB -0.343 41.756 42.059 0.067 0.000 0.903 524 L HN 0.433 nan 8.230 nan 0.000 0.435 525 F N -0.878 119.049 119.950 -0.039 0.000 2.102 525 F HA -0.181 4.387 4.527 0.069 0.000 0.298 525 F C 2.139 177.907 175.800 -0.054 0.000 1.105 525 F CA 1.956 59.925 58.000 -0.052 0.000 1.239 525 F CB -0.491 38.482 39.000 -0.046 0.000 0.991 525 F HN -0.097 nan 8.300 nan 0.000 0.474 526 V N 0.847 120.729 119.914 -0.054 0.000 2.358 526 V HA -0.251 3.910 4.120 0.069 0.000 0.246 526 V C 2.496 178.464 176.094 -0.209 0.000 1.047 526 V CA 2.012 64.232 62.300 -0.134 0.000 1.035 526 V CB -0.713 31.116 31.823 0.010 0.000 0.658 526 V HN 0.252 nan 8.190 nan 0.000 0.452 527 R N -0.664 119.682 120.500 -0.257 0.000 2.080 527 R HA -0.190 4.191 4.340 0.069 0.000 0.236 527 R C 2.323 178.367 176.300 -0.425 0.000 1.137 527 R CA 2.067 57.896 56.100 -0.452 0.000 0.943 527 R CB -0.542 29.200 30.300 -0.931 0.000 0.846 527 R HN 0.563 nan 8.270 nan 0.000 0.431 528 H N 0.387 119.129 119.070 -0.546 0.000 2.319 528 H HA -0.075 4.522 4.556 0.068 0.000 0.297 528 H C 1.935 176.575 175.328 -1.147 0.000 1.097 528 H CA 1.789 57.342 56.048 -0.825 0.000 1.285 528 H CB -0.113 29.199 29.762 -0.750 0.000 1.368 528 H HN 0.212 nan 8.280 nan 0.000 0.495 529 N N 0.165 118.466 118.700 -0.665 0.000 2.244 529 N HA -0.106 4.675 4.740 0.069 0.000 0.183 529 N C 1.902 177.270 175.510 -0.236 0.000 1.016 529 N CA 0.660 53.432 53.050 -0.463 0.000 0.866 529 N CB -0.085 38.160 38.487 -0.404 0.000 0.980 529 N HN 0.339 nan 8.380 nan 0.000 0.430 530 L N 0.275 121.392 121.223 -0.176 0.000 2.056 530 L HA -0.124 4.258 4.340 0.069 0.000 0.207 530 L C 2.259 179.113 176.870 -0.026 0.000 1.078 530 L CA 0.561 55.389 54.840 -0.020 0.000 0.749 530 L CB -0.268 41.845 42.059 0.090 0.000 0.901 530 L HN 0.104 nan 8.230 nan 0.000 0.433 531 L N -0.880 120.275 121.223 -0.113 0.000 2.046 531 L HA -0.196 4.185 4.340 0.069 0.000 0.208 531 L C 2.300 179.128 176.870 -0.070 0.000 1.077 531 L CA 1.809 56.589 54.840 -0.101 0.000 0.747 531 L CB -0.550 41.417 42.059 -0.152 0.000 0.896 531 L HN 0.031 nan 8.230 nan 0.000 0.432 532 F N -0.238 119.557 119.950 -0.259 0.000 2.171 532 F HA -0.177 4.392 4.527 0.070 0.000 0.300 532 F C 2.605 178.222 175.800 -0.306 0.000 1.090 532 F CA 0.986 58.663 58.000 -0.537 0.000 1.293 532 F CB -1.282 37.535 39.000 -0.305 0.000 1.013 532 F HN 0.267 nan 8.300 nan 0.000 0.486 533 Q N -0.089 119.753 119.800 0.071 0.000 2.016 533 Q HA -0.130 4.251 4.340 0.069 0.000 0.200 533 Q C 2.418 178.422 176.000 0.006 0.000 0.978 533 Q CA 1.742 57.584 55.803 0.067 0.000 0.833 533 Q CB -0.401 28.374 28.738 0.061 0.000 0.895 533 Q HN 0.230 nan 8.270 nan 0.000 0.427 534 V N 0.864 120.779 119.914 0.001 0.000 2.287 534 V HA -0.257 3.904 4.120 0.069 0.000 0.248 534 V C 2.156 178.210 176.094 -0.067 0.000 1.053 534 V CA 1.316 63.608 62.300 -0.012 0.000 1.027 534 V CB -0.527 31.323 31.823 0.046 0.000 0.646 534 V HN 0.296 nan 8.190 nan 0.000 0.447 535 L N 1.149 122.315 121.223 -0.096 0.000 2.083 535 L HA -0.135 4.246 4.340 0.069 0.000 0.209 535 L C 2.773 179.616 176.870 -0.045 0.000 1.083 535 L CA 2.370 57.145 54.840 -0.107 0.000 0.752 535 L CB -1.289 40.684 42.059 -0.144 0.000 0.899 535 L HN 0.619 nan 8.230 nan 0.000 0.433 536 S N -1.217 114.492 115.700 0.016 0.000 2.383 536 S HA -0.192 4.319 4.470 0.069 0.000 0.227 536 S C 1.934 176.409 174.600 -0.209 0.000 1.026 536 S CA 0.750 58.971 58.200 0.036 0.000 0.981 536 S CB -0.412 62.842 63.200 0.091 0.000 0.818 536 S HN 0.383 nan 8.310 nan 0.000 0.472 537 K N 0.682 120.974 120.400 -0.180 0.000 2.442 537 K HA 0.186 4.547 4.320 0.069 0.000 0.198 537 K C 1.055 177.551 176.600 -0.172 0.000 1.042 537 K CA 0.722 56.904 56.287 -0.176 0.000 0.958 537 K CB -0.260 32.190 32.500 -0.084 0.000 0.766 537 K HN 0.428 nan 8.250 nan 0.000 0.474 538 L N -0.605 120.412 121.223 -0.343 0.000 2.857 538 L HA 0.206 4.587 4.340 0.069 0.000 0.249 538 L C 0.810 176.881 176.870 -1.331 0.000 1.172 538 L CA -0.132 54.266 54.840 -0.737 0.000 0.980 538 L CB 0.672 42.565 42.059 -0.277 0.000 1.299 538 L HN 0.291 nan 8.230 nan 0.000 0.535 539 G N 0.634 108.936 108.800 -0.829 0.000 2.166 539 G HA2 -0.262 3.739 3.960 0.069 0.000 0.260 539 G HA3 -0.262 3.739 3.960 0.069 0.000 0.260 539 G C 0.271 175.016 174.900 -0.259 0.000 0.986 539 G CA 0.243 45.031 45.100 -0.520 0.000 0.683 539 G HN 0.148 nan 8.290 nan 0.000 0.527 540 V N 0.212 120.020 119.914 -0.176 0.000 2.508 540 V HA 0.350 4.512 4.120 0.069 0.000 0.281 540 V C 0.739 176.851 176.094 0.030 0.000 1.041 540 V CA -0.187 62.077 62.300 -0.061 0.000 1.016 540 V CB 1.435 33.235 31.823 -0.038 0.000 0.984 540 V HN 0.242 nan 8.190 nan 0.000 0.478 541 K N 4.961 125.269 120.400 -0.153 0.000 2.150 541 K HA 0.199 4.561 4.320 0.069 0.000 0.261 541 K C 0.352 176.854 176.600 -0.163 0.000 1.127 541 K CA -0.069 55.986 56.287 -0.387 0.000 0.989 541 K CB -0.385 31.604 32.500 -0.852 0.000 1.475 541 K HN 0.756 nan 8.250 nan 0.000 0.391 542 Y N 0.471 120.757 120.300 -0.024 0.000 2.511 542 Y HA 0.141 4.732 4.550 0.069 0.000 0.279 542 Y C 0.056 176.101 175.900 0.242 0.000 1.157 542 Y CA -0.871 57.279 58.100 0.083 0.000 1.300 542 Y CB -0.444 38.069 38.460 0.089 0.000 1.052 542 Y HN 0.347 nan 8.280 nan 0.000 0.529 543 Y N -1.337 118.844 120.300 -0.197 0.000 2.662 543 Y HA 0.763 5.354 4.550 0.069 0.000 0.335 543 Y C -1.588 174.253 175.900 -0.097 0.000 1.066 543 Y CA -2.752 55.290 58.100 -0.097 0.000 1.116 543 Y CB 1.228 39.379 38.460 -0.515 0.000 1.308 543 Y HN -0.223 nan 8.280 nan 0.000 0.502 544 V N 2.476 122.308 119.914 -0.137 0.000 2.841 544 V HA 0.619 4.780 4.120 0.069 0.000 0.310 544 V C -1.790 174.244 176.094 -0.100 0.000 1.090 544 V CA -0.931 61.122 62.300 -0.412 0.000 0.930 544 V CB 1.916 33.147 31.823 -0.988 0.000 1.014 544 V HN 0.912 nan 8.190 nan 0.000 0.425 545 L N 4.734 125.876 121.223 -0.135 0.000 2.298 545 L HA 0.628 5.010 4.340 0.069 0.000 0.284 545 L C -0.270 176.573 176.870 -0.045 0.000 1.013 545 L CA 0.068 54.873 54.840 -0.058 0.000 0.824 545 L CB 1.379 43.423 42.059 -0.025 0.000 1.221 545 L HN 0.774 nan 8.230 nan 0.000 0.418 546 D N 4.232 124.622 120.400 -0.017 0.000 2.551 546 D HA 0.243 4.925 4.640 0.069 0.000 0.223 546 D C -1.423 174.923 176.300 0.077 0.000 1.144 546 D CA 0.661 54.663 54.000 0.003 0.000 1.025 546 D CB -0.410 40.394 40.800 0.006 0.000 1.085 546 D HN 0.491 nan 8.370 nan 0.000 0.506 547 Y N 0.921 121.131 120.300 -0.151 0.000 2.717 547 Y HA 0.368 4.959 4.550 0.069 0.000 0.345 547 Y C -1.842 173.911 175.900 -0.245 0.000 1.187 547 Y CA -1.075 56.889 58.100 -0.226 0.000 1.128 547 Y CB 0.965 39.238 38.460 -0.312 0.000 1.360 547 Y HN -0.038 nan 8.280 nan 0.000 0.467 548 R N 3.514 123.497 120.500 -0.862 0.000 2.538 548 R HA 0.415 4.797 4.340 0.069 0.000 0.292 548 R C -1.991 173.862 176.300 -0.745 0.000 1.008 548 R CA -0.802 54.982 56.100 -0.527 0.000 0.896 548 R CB 1.265 31.363 30.300 -0.336 0.000 1.187 548 R HN 0.571 nan 8.270 nan 0.000 0.440 549 F N 1.192 121.074 119.950 -0.113 0.000 2.396 549 F HA 0.197 4.766 4.527 0.069 0.000 0.343 549 F C 1.659 177.402 175.800 -0.095 0.000 1.104 549 F CA -0.447 57.578 58.000 0.042 0.000 1.161 549 F CB 0.715 39.888 39.000 0.288 0.000 1.146 549 F HN 0.353 nan 8.300 nan 0.000 0.522 550 N N 2.755 121.376 118.700 -0.131 0.000 2.906 550 N HA 0.071 4.853 4.740 0.069 0.000 0.282 550 N C -1.670 173.513 175.510 -0.546 0.000 1.293 550 N CA 0.288 53.125 53.050 -0.355 0.000 1.059 550 N CB -0.570 37.656 38.487 -0.435 0.000 1.388 550 N HN 0.392 nan 8.380 nan 0.000 0.533 551 Y N -1.922 118.407 120.300 0.048 0.000 2.644 551 Y HA 0.318 4.909 4.550 0.069 0.000 0.338 551 Y C 0.924 176.776 175.900 -0.079 0.000 1.119 551 Y CA -1.168 56.935 58.100 0.005 0.000 1.060 551 Y CB 1.179 39.659 38.460 0.034 0.000 1.294 551 Y HN -0.042 nan 8.280 nan 0.000 0.472 552 D N -0.047 120.372 120.400 0.031 0.000 2.149 552 D HA -0.033 4.648 4.640 0.069 0.000 0.206 552 D C -0.705 175.186 176.300 -0.682 0.000 0.967 552 D CA 1.853 55.657 54.000 -0.326 0.000 0.848 552 D CB 0.312 40.955 40.800 -0.262 0.000 0.998 552 D HN 0.334 nan 8.370 nan 0.000 0.474 553 Y N -0.861 119.474 120.300 0.058 0.000 2.544 553 Y HA 0.400 4.991 4.550 0.069 0.000 0.342 553 Y C -0.707 175.153 175.900 -0.066 0.000 1.062 553 Y CA -0.967 57.127 58.100 -0.010 0.000 1.023 553 Y CB 1.494 39.896 38.460 -0.097 0.000 1.308 553 Y HN -0.314 nan 8.280 nan 0.000 0.457 554 I N 3.816 124.425 120.570 0.065 0.000 2.362 554 I HA 0.430 4.641 4.170 0.069 0.000 0.289 554 I C -0.709 175.419 176.117 0.017 0.000 0.994 554 I CA -0.275 60.961 61.300 -0.108 0.000 1.158 554 I CB 0.919 38.746 38.000 -0.289 0.000 1.315 554 I HN 0.369 nan 8.210 nan 0.000 0.451 555 I N 5.252 125.823 120.570 0.002 0.000 2.406 555 I HA 0.573 4.784 4.170 0.069 0.000 0.290 555 I C 0.433 176.619 176.117 0.115 0.000 0.999 555 I CA -0.555 60.800 61.300 0.092 0.000 1.124 555 I CB 1.914 39.976 38.000 0.104 0.000 1.289 555 I HN 0.665 nan 8.210 nan 0.000 0.441 556 G N 6.676 115.581 108.800 0.175 0.000 2.368 556 G HA2 0.676 4.677 3.960 0.069 0.000 0.320 556 G HA3 0.676 4.677 3.960 0.069 0.000 0.320 556 G C -0.820 174.211 174.900 0.218 0.000 1.158 556 G CA -0.323 44.877 45.100 0.167 0.000 0.912 556 G HN 0.555 nan 8.290 nan 0.000 0.456 557 I N -0.615 120.088 120.570 0.222 0.000 2.693 557 I HA 0.863 5.075 4.170 0.069 0.000 0.303 557 I C -1.149 175.083 176.117 0.191 0.000 1.025 557 I CA -1.390 60.064 61.300 0.258 0.000 1.086 557 I CB 2.774 40.999 38.000 0.376 0.000 1.268 557 I HN 0.304 nan 8.210 nan 0.000 0.440 558 D N 2.872 123.388 120.400 0.194 0.000 2.780 558 D HA 0.632 5.313 4.640 0.069 0.000 0.242 558 D C -1.566 174.777 176.300 0.070 0.000 1.135 558 D CA -0.385 53.690 54.000 0.125 0.000 0.859 558 D CB 2.287 43.174 40.800 0.145 0.000 1.530 558 D HN 0.510 nan 8.370 nan 0.000 0.493 559 V N 2.378 122.256 119.914 -0.060 0.000 2.347 559 V HA 0.822 4.984 4.120 0.069 0.000 0.280 559 V C -0.230 175.838 176.094 -0.044 0.000 1.021 559 V CA -0.486 61.711 62.300 -0.172 0.000 0.847 559 V CB 0.882 32.495 31.823 -0.351 0.000 0.990 559 V HN 0.732 nan 8.190 nan 0.000 0.444 560 A N 6.813 129.638 122.820 0.008 0.000 2.604 560 A HA 0.726 5.088 4.320 0.069 0.000 0.285 560 A C -3.093 174.531 177.584 0.066 0.000 1.095 560 A CA -1.218 50.834 52.037 0.025 0.000 0.842 560 A CB 1.310 20.310 19.000 0.000 0.000 1.385 560 A HN 0.594 nan 8.150 nan 0.000 0.404 561 P HA 0.413 nan 4.420 nan 0.000 0.265 561 P C -0.417 177.073 177.300 0.318 0.000 1.193 561 P CA 0.290 63.529 63.100 0.232 0.000 0.765 561 P CB 0.521 32.382 31.700 0.267 0.000 0.823 562 M N 2.374 122.115 119.600 0.235 0.000 2.490 562 M HA 0.359 4.880 4.480 0.069 0.000 0.286 562 M C -1.885 174.087 176.300 -0.548 0.000 1.185 562 M CA -0.649 54.652 55.300 0.003 0.000 0.912 562 M CB 2.228 34.820 32.600 -0.014 0.000 1.744 562 M HN 0.028 nan 8.290 nan 0.000 0.494 563 K N 3.691 123.420 120.400 -1.117 0.000 2.394 563 K HA 0.661 5.022 4.320 0.069 0.000 0.260 563 K C -1.217 175.123 176.600 -0.434 0.000 0.967 563 K CA -0.480 55.221 56.287 -0.977 0.000 0.855 563 K CB 1.073 32.681 32.500 -1.487 0.000 1.101 563 K HN 0.828 nan 8.250 nan 0.000 0.433 564 R N 2.007 122.353 120.500 -0.256 0.000 2.637 564 R HA 0.244 4.626 4.340 0.069 0.000 0.291 564 R C -0.467 175.769 176.300 -0.107 0.000 0.963 564 R CA -0.927 55.086 56.100 -0.146 0.000 0.901 564 R CB 1.885 32.123 30.300 -0.103 0.000 1.160 564 R HN 0.601 nan 8.270 nan 0.000 0.457 565 S N 3.564 119.217 115.700 -0.078 0.000 3.689 565 S HA -0.136 4.376 4.470 0.069 0.000 0.439 565 S C 0.417 174.988 174.600 -0.048 0.000 1.025 565 S CA 0.923 59.089 58.200 -0.058 0.000 1.576 565 S CB -0.415 62.760 63.200 -0.042 0.000 0.965 565 S HN 0.602 nan 8.310 nan 0.000 0.578 566 E N 0.968 121.140 120.200 -0.046 0.000 2.807 566 E HA -0.163 4.228 4.350 0.069 0.000 0.169 566 E C 0.222 176.805 176.600 -0.028 0.000 1.548 566 E CA 0.998 57.380 56.400 -0.029 0.000 0.697 566 E CB -1.310 28.376 29.700 -0.023 0.000 1.106 566 E HN 0.859 nan 8.360 nan 0.000 0.382 567 G N 1.542 110.328 108.800 -0.023 0.000 3.353 567 G HA2 0.159 4.161 3.960 0.069 0.000 0.127 567 G HA3 0.159 4.161 3.960 0.069 0.000 0.127 567 G C -0.027 174.911 174.900 0.063 0.000 1.167 567 G CA 0.186 45.278 45.100 -0.013 0.000 1.459 567 G HN 0.750 nan 8.290 nan 0.000 0.702 568 Y N 1.067 121.257 120.300 -0.184 0.000 3.038 568 Y HA -0.174 4.417 4.550 0.069 0.000 0.140 568 Y C -0.478 175.322 175.900 -0.167 0.000 2.014 568 Y CA -0.676 57.289 58.100 -0.224 0.000 1.080 568 Y CB -1.266 37.102 38.460 -0.152 0.000 1.603 568 Y HN 0.340 nan 8.280 nan 0.000 0.364 569 I N 2.114 122.712 120.570 0.046 0.000 2.365 569 I HA 0.234 4.446 4.170 0.069 0.000 0.291 569 I C 1.377 177.518 176.117 0.040 0.000 1.004 569 I CA 0.711 62.004 61.300 -0.012 0.000 1.311 569 I CB 1.411 39.362 38.000 -0.082 0.000 1.401 569 I HN 0.577 nan 8.210 nan 0.000 0.491 570 G N 3.729 112.556 108.800 0.045 0.000 2.744 570 G HA2 0.497 4.499 3.960 0.069 0.000 0.211 570 G HA3 0.497 4.499 3.960 0.069 0.000 0.211 570 G C 0.503 175.546 174.900 0.239 0.000 1.146 570 G CA 0.601 45.789 45.100 0.147 0.000 0.787 570 G HN 0.882 nan 8.290 nan 0.000 0.534 571 G N -0.858 108.060 108.800 0.198 0.000 2.356 571 G HA2 0.520 4.521 3.960 0.069 0.000 0.281 571 G HA3 0.520 4.521 3.960 0.069 0.000 0.281 571 G C -1.022 173.922 174.900 0.074 0.000 1.246 571 G CA 0.445 45.683 45.100 0.231 0.000 0.889 571 G HN 1.035 nan 8.290 nan 0.000 0.486 572 S N -1.544 114.244 115.700 0.148 0.000 2.651 572 S HA 0.978 5.489 4.470 0.069 0.000 0.279 572 S C -0.675 174.001 174.600 0.125 0.000 1.148 572 S CA 0.207 58.461 58.200 0.090 0.000 0.837 572 S CB 1.753 65.047 63.200 0.157 0.000 1.138 572 S HN 2.543 nan 8.310 nan 0.000 0.478 573 A N 0.553 123.419 122.820 0.078 0.000 2.540 573 A HA 0.739 5.100 4.320 0.069 0.000 0.297 573 A C -1.483 176.208 177.584 0.179 0.000 1.056 573 A CA -0.647 51.477 52.037 0.143 0.000 0.700 573 A CB 1.502 20.559 19.000 0.093 0.000 1.280 573 A HN 1.173 nan 8.150 nan 0.000 0.398 574 V N 3.017 123.093 119.914 0.270 0.000 2.735 574 V HA 0.683 4.844 4.120 0.069 0.000 0.310 574 V C -0.175 176.115 176.094 0.326 0.000 1.061 574 V CA -0.436 62.031 62.300 0.278 0.000 0.913 574 V CB 1.960 33.965 31.823 0.303 0.000 1.005 574 V HN 0.971 nan 8.190 nan 0.000 0.428 575 M N 4.513 124.262 119.600 0.249 0.000 2.393 575 M HA 0.655 5.177 4.480 0.069 0.000 0.316 575 M C -2.158 174.213 176.300 0.118 0.000 1.087 575 M CA -0.345 55.032 55.300 0.128 0.000 0.937 575 M CB 1.738 34.203 32.600 -0.225 0.000 1.668 575 M HN 0.581 nan 8.290 nan 0.000 0.438 576 F N 2.328 122.321 119.950 0.073 0.000 2.532 576 F HA 0.363 4.931 4.527 0.069 0.000 0.321 576 F C 0.028 175.924 175.800 0.160 0.000 1.089 576 F CA -0.507 57.558 58.000 0.108 0.000 0.926 576 F CB 1.544 40.555 39.000 0.018 0.000 1.168 576 F HN 0.621 nan 8.300 nan 0.000 0.459 577 D N -0.250 120.355 120.400 0.342 0.000 2.423 577 D HA 0.135 4.816 4.640 0.069 0.000 0.255 577 D C 1.018 177.439 176.300 0.202 0.000 1.174 577 D CA -0.370 53.801 54.000 0.286 0.000 1.008 577 D CB 0.773 41.731 40.800 0.263 0.000 1.101 577 D HN 0.405 nan 8.370 nan 0.000 0.516 578 S N -0.983 114.786 115.700 0.114 0.000 2.469 578 S HA -0.264 4.247 4.470 0.069 0.000 0.238 578 S C 1.503 176.310 174.600 0.345 0.000 0.998 578 S CA 0.982 59.326 58.200 0.240 0.000 0.957 578 S CB -0.576 62.688 63.200 0.107 0.000 0.764 578 S HN 0.640 nan 8.310 nan 0.000 0.514 579 Q N 0.867 120.799 119.800 0.220 0.000 2.444 579 Q HA 0.232 4.613 4.340 0.069 0.000 0.206 579 Q C 1.128 177.156 176.000 0.048 0.000 0.948 579 Q CA 0.411 56.289 55.803 0.124 0.000 0.946 579 Q CB -0.431 28.380 28.738 0.121 0.000 1.027 579 Q HN 0.815 nan 8.270 nan 0.000 0.513 580 G N 0.100 109.069 108.800 0.282 0.000 2.132 580 G HA2 -0.268 3.734 3.960 0.069 0.000 0.234 580 G HA3 -0.268 3.734 3.960 0.069 0.000 0.234 580 G C -0.657 174.480 174.900 0.396 0.000 0.989 580 G CA 0.136 45.449 45.100 0.355 0.000 0.676 580 G HN 0.291 nan 8.290 nan 0.000 0.522 581 Y N -0.599 119.927 120.300 0.376 0.000 2.420 581 Y HA 0.659 5.250 4.550 0.069 0.000 0.334 581 Y C 0.812 176.502 175.900 -0.351 0.000 1.094 581 Y CA -1.584 56.584 58.100 0.114 0.000 1.126 581 Y CB 1.282 39.724 38.460 -0.031 0.000 1.217 581 Y HN 0.228 nan 8.280 nan 0.000 0.462 582 I N 4.353 124.579 120.570 -0.572 0.000 2.396 582 I HA 0.212 4.423 4.170 0.069 0.000 0.289 582 I C 0.482 176.411 176.117 -0.314 0.000 1.056 582 I CA 0.065 60.780 61.300 -0.976 0.000 1.365 582 I CB 0.352 37.833 38.000 -0.865 0.000 1.407 582 I HN 0.735 nan 8.210 nan 0.000 0.509 583 R N 5.760 126.146 120.500 -0.190 0.000 2.310 583 R HA 0.308 4.689 4.340 0.069 0.000 0.199 583 R C -0.435 175.886 176.300 0.035 0.000 0.891 583 R CA -0.136 55.941 56.100 -0.039 0.000 1.060 583 R CB 0.428 30.739 30.300 0.018 0.000 1.188 583 R HN 0.442 nan 8.270 nan 0.000 0.607 584 K N 1.343 121.781 120.400 0.062 0.000 2.513 584 K HA 0.466 4.828 4.320 0.069 0.000 0.251 584 K C -0.890 175.825 176.600 0.191 0.000 0.939 584 K CA -0.383 56.040 56.287 0.227 0.000 0.793 584 K CB 2.732 35.490 32.500 0.429 0.000 1.241 584 K HN -0.048 nan 8.250 nan 0.000 0.431 585 I N 2.989 123.607 120.570 0.081 0.000 2.437 585 I HA 0.215 4.426 4.170 0.069 0.000 0.279 585 I C -0.001 175.936 176.117 -0.301 0.000 1.028 585 I CA -1.144 60.053 61.300 -0.172 0.000 1.142 585 I CB 1.624 39.383 38.000 -0.401 0.000 1.266 585 I HN 0.253 nan 8.210 nan 0.000 0.461 586 V N 4.226 123.927 119.914 -0.356 0.000 2.769 586 V HA 0.764 4.926 4.120 0.069 0.000 0.312 586 V C -2.847 173.121 176.094 -0.209 0.000 1.058 586 V CA -2.465 59.529 62.300 -0.511 0.000 0.952 586 V CB 1.645 32.820 31.823 -1.080 0.000 1.019 586 V HN 0.327 nan 8.190 nan 0.000 0.445 587 P HA 0.595 nan 4.420 nan 0.000 0.282 587 P C -0.805 176.330 177.300 -0.276 0.000 1.259 587 P CA -0.396 62.657 63.100 -0.080 0.000 0.826 587 P CB 0.905 32.576 31.700 -0.049 0.000 1.064 588 I N 1.185 121.584 120.570 -0.285 0.000 2.555 588 I HA 0.259 4.470 4.170 0.069 0.000 0.275 588 I C 0.576 176.516 176.117 -0.295 0.000 1.082 588 I CA -0.742 60.301 61.300 -0.428 0.000 1.167 588 I CB 0.582 38.104 38.000 -0.797 0.000 1.312 588 I HN 0.194 nan 8.210 nan 0.000 0.493 589 K N 7.069 127.331 120.400 -0.231 0.000 2.295 589 K HA 0.531 4.892 4.320 0.069 0.000 0.270 589 K C -0.526 175.976 176.600 -0.163 0.000 1.011 589 K CA 0.011 56.206 56.287 -0.154 0.000 0.953 589 K CB 1.038 33.467 32.500 -0.118 0.000 0.956 589 K HN 0.675 nan 8.250 nan 0.000 0.477 590 I N -1.212 119.269 120.570 -0.150 0.000 3.279 590 I HA 0.544 4.756 4.170 0.069 0.000 0.315 590 I C -0.001 175.947 176.117 -0.282 0.000 1.225 590 I CA -1.343 59.853 61.300 -0.174 0.000 0.947 590 I CB 1.685 39.606 38.000 -0.131 0.000 1.293 590 I HN 0.615 nan 8.210 nan 0.000 0.468 591 G N 0.557 109.195 108.800 -0.271 0.000 2.557 591 G HA2 0.299 4.300 3.960 0.069 0.000 0.292 591 G HA3 0.299 4.300 3.960 0.069 0.000 0.292 591 G C -0.719 173.827 174.900 -0.590 0.000 1.237 591 G CA -0.564 44.334 45.100 -0.336 0.000 0.978 591 G HN 0.877 nan 8.290 nan 0.000 0.498 592 E N 0.776 120.667 120.200 -0.515 0.000 2.161 592 E HA 0.000 4.392 4.350 0.069 0.000 0.263 592 E C 0.036 176.542 176.600 -0.157 0.000 1.185 592 E CA -0.365 55.800 56.400 -0.392 0.000 0.938 592 E CB 0.117 29.875 29.700 0.098 0.000 1.023 592 E HN 0.189 nan 8.360 nan 0.000 0.433 593 Q N 3.458 123.171 119.800 -0.144 0.000 2.310 593 Q HA -0.110 4.271 4.340 0.069 0.000 0.315 593 Q C 0.854 176.854 176.000 -0.000 0.000 1.081 593 Q CA 0.531 56.305 55.803 -0.050 0.000 0.981 593 Q CB 0.469 29.201 28.738 -0.010 0.000 1.184 593 Q HN 0.555 nan 8.270 nan 0.000 0.389 594 R N 1.815 122.310 120.500 -0.007 0.000 2.062 594 R HA 0.053 4.435 4.340 0.069 0.000 0.213 594 R C 1.248 177.556 176.300 0.014 0.000 1.214 594 R CA 1.050 57.153 56.100 0.006 0.000 0.951 594 R CB -1.247 29.052 30.300 -0.002 0.000 0.804 594 R HN 0.748 nan 8.270 nan 0.000 0.473 595 G N 1.142 109.947 108.800 0.009 0.000 2.593 595 G HA2 -0.080 3.921 3.960 0.069 0.000 0.279 595 G HA3 -0.080 3.921 3.960 0.069 0.000 0.279 595 G C 0.374 175.284 174.900 0.018 0.000 1.329 595 G CA -0.238 44.870 45.100 0.013 0.000 1.036 595 G HN 0.245 nan 8.290 nan 0.000 0.555 596 E N -0.547 119.665 120.200 0.019 0.000 2.445 596 E HA 0.137 4.529 4.350 0.069 0.000 0.189 596 E C 0.833 177.443 176.600 0.017 0.000 1.069 596 E CA 0.080 56.492 56.400 0.022 0.000 0.871 596 E CB 0.291 30.005 29.700 0.024 0.000 0.991 596 E HN 0.199 nan 8.360 nan 0.000 0.481 597 S N -0.752 114.954 115.700 0.010 0.000 2.721 597 S HA 0.580 5.091 4.470 0.069 0.000 0.296 597 S C -0.121 174.475 174.600 -0.008 0.000 1.093 597 S CA -0.684 57.516 58.200 0.000 0.000 0.959 597 S CB 1.757 64.956 63.200 -0.001 0.000 1.301 597 S HN -0.124 nan 8.310 nan 0.000 0.550 598 V N 1.882 121.780 119.914 -0.027 0.000 2.588 598 V HA 0.306 4.468 4.120 0.069 0.000 0.304 598 V C -0.668 175.405 176.094 -0.035 0.000 1.042 598 V CA -0.797 61.481 62.300 -0.037 0.000 0.877 598 V CB 1.824 33.602 31.823 -0.076 0.000 0.996 598 V HN 0.848 nan 8.190 nan 0.000 0.425 599 D N 5.275 125.662 120.400 -0.022 0.000 2.429 599 D HA 0.016 4.698 4.640 0.069 0.000 0.253 599 D C 1.185 177.493 176.300 0.013 0.000 1.294 599 D CA -0.162 53.826 54.000 -0.020 0.000 1.063 599 D CB 0.743 41.522 40.800 -0.035 0.000 1.096 599 D HN 0.320 nan 8.370 nan 0.000 0.516 600 M N 2.251 121.864 119.600 0.021 0.000 2.279 600 M HA -0.146 4.376 4.480 0.069 0.000 0.264 600 M C 1.506 177.953 176.300 0.244 0.000 1.062 600 M CA 0.711 56.066 55.300 0.093 0.000 1.099 600 M CB -0.736 31.953 32.600 0.149 0.000 1.394 600 M HN 0.386 nan 8.290 nan 0.000 0.426 601 N N 0.107 118.854 118.700 0.078 0.000 2.120 601 N HA -0.187 4.595 4.740 0.069 0.000 0.188 601 N C 1.720 177.227 175.510 -0.005 0.000 1.024 601 N CA 1.192 54.185 53.050 -0.095 0.000 0.852 601 N CB -0.206 37.944 38.487 -0.563 0.000 1.003 601 N HN 0.559 nan 8.380 nan 0.000 0.424 602 E N 0.289 120.484 120.200 -0.008 0.000 2.107 602 E HA -0.123 4.269 4.350 0.069 0.000 0.191 602 E C 1.797 178.433 176.600 0.059 0.000 0.982 602 E CA 0.363 56.779 56.400 0.027 0.000 0.809 602 E CB -0.058 29.634 29.700 -0.013 0.000 0.756 602 E HN 0.205 nan 8.360 nan 0.000 0.459 603 F N 0.274 120.165 119.950 -0.098 0.000 2.069 603 F HA -0.222 4.346 4.527 0.069 0.000 0.298 603 F C 1.783 177.467 175.800 -0.194 0.000 1.113 603 F CA 1.621 59.492 58.000 -0.216 0.000 1.214 603 F CB -0.280 38.492 39.000 -0.380 0.000 0.978 603 F HN 0.012 nan 8.300 nan 0.000 0.474 604 F N 0.720 120.845 119.950 0.293 0.000 2.259 604 F HA -0.055 4.514 4.527 0.069 0.000 0.298 604 F C 2.419 178.296 175.800 0.129 0.000 1.088 604 F CA 1.372 59.500 58.000 0.213 0.000 1.358 604 F CB -0.826 38.346 39.000 0.287 0.000 1.040 604 F HN -0.071 nan 8.300 nan 0.000 0.505 605 K N 0.460 121.076 120.400 0.360 0.000 2.057 605 K HA -0.224 4.138 4.320 0.069 0.000 0.206 605 K C 2.089 178.749 176.600 0.101 0.000 1.050 605 K CA 1.557 58.051 56.287 0.346 0.000 0.935 605 K CB -0.093 32.693 32.500 0.478 0.000 0.715 605 K HN 0.069 nan 8.250 nan 0.000 0.439 606 E N 1.037 121.227 120.200 -0.017 0.000 2.204 606 E HA -0.172 4.219 4.350 0.069 0.000 0.194 606 E C 1.866 178.315 176.600 -0.253 0.000 0.989 606 E CA 1.081 57.394 56.400 -0.145 0.000 0.824 606 E CB -0.155 29.412 29.700 -0.222 0.000 0.756 606 E HN 0.368 nan 8.360 nan 0.000 0.477 607 M N -0.499 118.947 119.600 -0.258 0.000 2.067 607 M HA -0.177 4.344 4.480 0.069 0.000 0.260 607 M C 1.780 177.999 176.300 -0.135 0.000 1.069 607 M CA 1.770 56.903 55.300 -0.278 0.000 1.117 607 M CB -0.106 32.465 32.600 -0.049 0.000 1.334 607 M HN 0.121 nan 8.290 nan 0.000 0.407 608 V N 1.235 121.110 119.914 -0.064 0.000 2.255 608 V HA -0.310 3.851 4.120 0.069 0.000 0.247 608 V C 1.988 178.000 176.094 -0.136 0.000 1.051 608 V CA 2.270 64.485 62.300 -0.141 0.000 1.018 608 V CB -1.156 30.298 31.823 -0.615 0.000 0.641 608 V HN 0.501 nan 8.190 nan 0.000 0.445 609 D N -0.008 120.303 120.400 -0.149 0.000 2.104 609 D HA -0.198 4.483 4.640 0.069 0.000 0.194 609 D C 2.174 178.416 176.300 -0.097 0.000 0.994 609 D CA 1.502 55.455 54.000 -0.079 0.000 0.830 609 D CB -0.246 40.535 40.800 -0.032 0.000 0.959 609 D HN 0.294 nan 8.370 nan 0.000 0.452 610 K N 0.041 120.309 120.400 -0.220 0.000 2.209 610 K HA -0.090 4.272 4.320 0.069 0.000 0.204 610 K C 1.797 178.171 176.600 -0.377 0.000 1.048 610 K CA 0.689 56.761 56.287 -0.359 0.000 0.940 610 K CB -0.409 31.739 32.500 -0.586 0.000 0.729 610 K HN 0.017 nan 8.250 nan 0.000 0.451 611 F N 0.954 120.777 119.950 -0.212 0.000 2.187 611 F HA 0.087 4.656 4.527 0.069 0.000 0.295 611 F C 2.127 177.906 175.800 -0.034 0.000 1.091 611 F CA 1.153 59.066 58.000 -0.145 0.000 1.308 611 F CB -0.480 38.410 39.000 -0.184 0.000 1.030 611 F HN 0.042 nan 8.300 nan 0.000 0.487 612 K N 0.787 121.266 120.400 0.133 0.000 2.160 612 K HA -0.270 4.091 4.320 0.069 0.000 0.206 612 K C 2.037 178.706 176.600 0.115 0.000 1.047 612 K CA 1.931 58.270 56.287 0.087 0.000 0.930 612 K CB -0.257 32.267 32.500 0.041 0.000 0.720 612 K HN 0.391 nan 8.250 nan 0.000 0.450 613 E N -0.518 119.765 120.200 0.138 0.000 2.216 613 E HA -0.112 4.280 4.350 0.069 0.000 0.192 613 E C 0.930 177.721 176.600 0.318 0.000 0.988 613 E CA 0.530 57.042 56.400 0.187 0.000 0.834 613 E CB -0.017 29.790 29.700 0.178 0.000 0.772 613 E HN 0.426 nan 8.360 nan 0.000 0.479 614 F N 1.061 121.021 119.950 0.017 0.000 2.664 614 F HA 0.184 4.753 4.527 0.069 0.000 0.301 614 F C 0.142 175.967 175.800 0.041 0.000 1.126 614 F CA -0.445 57.575 58.000 0.033 0.000 1.373 614 F CB 0.375 39.411 39.000 0.060 0.000 1.042 614 F HN -0.024 nan 8.300 nan 0.000 0.535 615 N N 1.331 120.131 118.700 0.167 0.000 2.862 615 N HA -0.151 4.631 4.740 0.069 0.000 0.246 615 N C -1.144 174.407 175.510 0.069 0.000 1.111 615 N CA 0.450 53.553 53.050 0.088 0.000 0.688 615 N CB -1.340 37.174 38.487 0.045 0.000 1.018 615 N HN 0.085 nan 8.380 nan 0.000 0.556 616 I N 0.617 121.226 120.570 0.064 0.000 2.627 616 I HA 0.176 4.387 4.170 0.069 0.000 0.288 616 I C -0.238 175.858 176.117 -0.036 0.000 1.202 616 I CA -0.316 60.952 61.300 -0.053 0.000 1.050 616 I CB 2.020 39.851 38.000 -0.283 0.000 1.264 616 I HN -0.082 nan 8.210 nan 0.000 0.429 617 K N 6.562 126.955 120.400 -0.011 0.000 2.339 617 K HA 0.522 4.883 4.320 0.069 0.000 0.264 617 K C 0.667 177.276 176.600 0.014 0.000 0.986 617 K CA -0.542 55.749 56.287 0.007 0.000 0.866 617 K CB 2.192 34.720 32.500 0.047 0.000 1.103 617 K HN 0.473 nan 8.250 nan 0.000 0.441 618 L N 1.411 122.611 121.223 -0.039 0.000 2.599 618 L HA 0.001 4.383 4.340 0.069 0.000 0.230 618 L C 0.181 177.084 176.870 0.054 0.000 1.141 618 L CA 0.307 55.150 54.840 0.004 0.000 0.877 618 L CB -0.325 41.696 42.059 -0.062 0.000 1.009 618 L HN 0.566 nan 8.230 nan 0.000 0.447 619 D N 2.719 123.159 120.400 0.067 0.000 2.488 619 D HA -0.071 4.611 4.640 0.069 0.000 0.238 619 D C 0.576 176.943 176.300 0.111 0.000 1.138 619 D CA 0.406 54.486 54.000 0.134 0.000 0.873 619 D CB 0.261 41.153 40.800 0.153 0.000 1.183 619 D HN 0.295 nan 8.370 nan 0.000 0.458 620 N N 0.705 119.471 118.700 0.110 0.000 2.707 620 N HA -0.233 4.549 4.740 0.069 0.000 0.253 620 N C -0.632 174.922 175.510 0.073 0.000 0.998 620 N CA 0.931 54.028 53.050 0.079 0.000 0.751 620 N CB -0.736 37.789 38.487 0.063 0.000 0.920 620 N HN 0.380 nan 8.380 nan 0.000 0.539 621 K N 0.426 120.877 120.400 0.085 0.000 2.400 621 K HA 0.436 4.798 4.320 0.069 0.000 0.246 621 K C -0.076 176.576 176.600 0.088 0.000 0.995 621 K CA -0.709 55.629 56.287 0.085 0.000 0.840 621 K CB 2.270 34.846 32.500 0.128 0.000 1.293 621 K HN 0.242 nan 8.250 nan 0.000 0.445 622 K N 2.849 123.303 120.400 0.089 0.000 2.293 622 K HA 0.422 4.784 4.320 0.069 0.000 0.267 622 K C -0.374 176.338 176.600 0.187 0.000 1.010 622 K CA -0.458 55.907 56.287 0.130 0.000 0.875 622 K CB 0.531 33.102 32.500 0.117 0.000 1.106 622 K HN 0.671 nan 8.250 nan 0.000 0.450 623 I N 1.503 122.163 120.570 0.150 0.000 2.892 623 I HA 0.495 4.706 4.170 0.069 0.000 0.306 623 I C -1.670 174.374 176.117 -0.121 0.000 1.078 623 I CA -1.397 59.938 61.300 0.059 0.000 1.032 623 I CB 1.830 39.858 38.000 0.046 0.000 1.229 623 I HN 0.462 nan 8.210 nan 0.000 0.435 624 L N 5.391 126.358 121.223 -0.427 0.000 2.280 624 L HA 0.573 4.954 4.340 0.069 0.000 0.287 624 L C -1.346 175.368 176.870 -0.262 0.000 1.023 624 L CA -0.338 54.148 54.840 -0.591 0.000 0.819 624 L CB 1.252 42.628 42.059 -1.137 0.000 1.212 624 L HN 0.724 nan 8.230 nan 0.000 0.420 625 L N 6.098 127.236 121.223 -0.142 0.000 2.305 625 L HA 0.639 5.021 4.340 0.069 0.000 0.284 625 L C -1.344 175.512 176.870 -0.023 0.000 1.013 625 L CA -0.227 54.590 54.840 -0.040 0.000 0.819 625 L CB 0.972 43.028 42.059 -0.005 0.000 1.227 625 L HN 0.633 nan 8.230 nan 0.000 0.417 626 L N 4.802 126.030 121.223 0.008 0.000 2.323 626 L HA 0.733 5.115 4.340 0.069 0.000 0.265 626 L C -0.605 176.302 176.870 0.062 0.000 1.012 626 L CA -0.951 53.893 54.840 0.008 0.000 0.820 626 L CB 2.260 44.297 42.059 -0.037 0.000 1.334 626 L HN 0.667 nan 8.230 nan 0.000 0.427 627 R N -1.329 119.197 120.500 0.044 0.000 2.781 627 R HA 0.389 4.770 4.340 0.069 0.000 0.269 627 R C -1.329 174.983 176.300 0.019 0.000 1.025 627 R CA -0.909 55.226 56.100 0.058 0.000 0.914 627 R CB 1.181 31.526 30.300 0.074 0.000 1.236 627 R HN 0.364 nan 8.270 nan 0.000 0.465 628 D N 0.506 120.915 120.400 0.014 0.000 2.416 628 D HA 0.380 5.061 4.640 0.069 0.000 0.240 628 D C 0.056 176.345 176.300 -0.019 0.000 1.250 628 D CA 1.713 55.700 54.000 -0.021 0.000 0.967 628 D CB 0.230 40.992 40.800 -0.064 0.000 1.059 628 D HN 0.823 nan 8.370 nan 0.000 0.512 629 G N 2.925 111.713 108.800 -0.019 0.000 2.331 629 G HA2 -0.117 3.885 3.960 0.069 0.000 0.479 629 G HA3 -0.117 3.885 3.960 0.069 0.000 0.479 629 G C -0.722 174.169 174.900 -0.016 0.000 1.262 629 G CA -0.939 44.152 45.100 -0.015 0.000 1.029 629 G HN 0.532 nan 8.290 nan 0.000 0.487 630 R N 0.123 120.616 120.500 -0.013 0.000 2.442 630 R HA 0.345 4.726 4.340 0.069 0.000 0.291 630 R C 0.424 176.724 176.300 -0.000 0.000 1.069 630 R CA -0.644 55.448 56.100 -0.013 0.000 1.022 630 R CB 0.085 30.379 30.300 -0.010 0.000 0.976 630 R HN 0.392 nan 8.270 nan 0.000 0.443 631 I N 5.725 126.296 120.570 0.002 0.000 2.483 631 I HA -0.048 4.163 4.170 0.069 0.000 0.291 631 I C 1.125 177.254 176.117 0.020 0.000 1.112 631 I CA 0.467 61.778 61.300 0.019 0.000 1.350 631 I CB -0.080 37.927 38.000 0.012 0.000 1.419 631 I HN 0.702 nan 8.210 nan 0.000 0.523 632 T N 3.163 117.733 114.554 0.027 0.000 2.802 632 T HA 0.127 4.519 4.350 0.069 0.000 0.305 632 T C 1.438 176.158 174.700 0.035 0.000 1.053 632 T CA -0.597 61.519 62.100 0.025 0.000 1.058 632 T CB 0.977 69.856 68.868 0.018 0.000 0.988 632 T HN 0.488 nan 8.240 nan 0.000 0.539 633 N N 2.010 120.730 118.700 0.032 0.000 2.036 633 N HA -0.166 4.615 4.740 0.069 0.000 0.195 633 N C 1.606 177.143 175.510 0.046 0.000 1.037 633 N CA 1.461 54.533 53.050 0.036 0.000 0.855 633 N CB -0.706 37.802 38.487 0.034 0.000 1.033 633 N HN 0.584 nan 8.380 nan 0.000 0.423 634 N N 1.365 120.091 118.700 0.044 0.000 2.149 634 N HA -0.123 4.658 4.740 0.069 0.000 0.188 634 N C 1.520 177.093 175.510 0.105 0.000 1.019 634 N CA 0.881 53.964 53.050 0.054 0.000 0.857 634 N CB -0.279 38.225 38.487 0.029 0.000 0.997 634 N HN 0.525 nan 8.380 nan 0.000 0.426 635 E N 0.365 120.636 120.200 0.118 0.000 2.152 635 E HA -0.134 4.258 4.350 0.069 0.000 0.192 635 E C 1.670 178.346 176.600 0.126 0.000 0.983 635 E CA 0.506 57.050 56.400 0.239 0.000 0.818 635 E CB 0.027 29.850 29.700 0.206 0.000 0.758 635 E HN 0.501 nan 8.360 nan 0.000 0.467 636 E N 1.439 121.675 120.200 0.060 0.000 2.028 636 E HA -0.212 4.180 4.350 0.069 0.000 0.191 636 E C 1.841 178.457 176.600 0.026 0.000 0.988 636 E CA 1.032 57.441 56.400 0.014 0.000 0.799 636 E CB 0.144 29.856 29.700 0.019 0.000 0.755 636 E HN 0.217 nan 8.360 nan 0.000 0.447 637 E N -0.326 119.910 120.200 0.059 0.000 2.085 637 E HA -0.188 4.203 4.350 0.069 0.000 0.194 637 E C 2.076 178.750 176.600 0.123 0.000 0.994 637 E CA 0.932 57.380 56.400 0.079 0.000 0.801 637 E CB -0.307 29.434 29.700 0.068 0.000 0.743 637 E HN 0.430 nan 8.360 nan 0.000 0.453 638 G N 1.160 110.057 108.800 0.161 0.000 2.442 638 G HA2 -0.236 3.765 3.960 0.069 0.000 0.219 638 G HA3 -0.236 3.765 3.960 0.069 0.000 0.219 638 G C 1.555 176.568 174.900 0.187 0.000 1.141 638 G CA 0.515 45.790 45.100 0.292 0.000 0.763 638 G HN 0.099 nan 8.290 nan 0.000 0.554 639 L N -0.423 120.734 121.223 -0.111 0.000 2.240 639 L HA 0.065 4.446 4.340 0.069 0.000 0.211 639 L C 2.894 179.742 176.870 -0.036 0.000 1.106 639 L CA 0.759 55.435 54.840 -0.274 0.000 0.793 639 L CB -0.168 41.653 42.059 -0.397 0.000 0.927 639 L HN 0.165 nan 8.230 nan 0.000 0.446 640 K N -0.688 119.734 120.400 0.037 0.000 2.062 640 K HA -0.202 4.160 4.320 0.069 0.000 0.205 640 K C 2.109 178.780 176.600 0.118 0.000 1.051 640 K CA 1.391 57.716 56.287 0.063 0.000 0.941 640 K CB -0.298 32.242 32.500 0.065 0.000 0.719 640 K HN 0.124 nan 8.250 nan 0.000 0.440 641 Y N 1.927 122.255 120.300 0.046 0.000 2.081 641 Y HA -0.244 4.347 4.550 0.069 0.000 0.280 641 Y C 1.948 177.908 175.900 0.099 0.000 1.163 641 Y CA 1.581 59.722 58.100 0.068 0.000 1.135 641 Y CB -0.251 38.271 38.460 0.103 0.000 0.970 641 Y HN 0.009 nan 8.280 nan 0.000 0.498 642 I N -0.478 120.247 120.570 0.259 0.000 3.176 642 I HA -0.177 4.035 4.170 0.069 0.000 0.275 642 I C 2.184 178.442 176.117 0.235 0.000 1.298 642 I CA 1.427 62.917 61.300 0.318 0.000 1.445 642 I CB -0.308 37.925 38.000 0.389 0.000 1.075 642 I HN 0.362 nan 8.210 nan 0.000 0.482 643 S N 0.335 116.092 115.700 0.094 0.000 2.406 643 S HA -0.144 4.368 4.470 0.069 0.000 0.224 643 S C 1.991 176.604 174.600 0.022 0.000 1.030 643 S CA 1.113 59.351 58.200 0.063 0.000 0.958 643 S CB -0.176 63.043 63.200 0.033 0.000 0.811 643 S HN 0.595 nan 8.310 nan 0.000 0.489 644 E N 1.126 121.295 120.200 -0.051 0.000 2.075 644 E HA -0.022 4.370 4.350 0.069 0.000 0.190 644 E C 2.066 178.542 176.600 -0.207 0.000 0.969 644 E CA 0.747 57.086 56.400 -0.101 0.000 0.815 644 E CB -0.576 29.060 29.700 -0.106 0.000 0.776 644 E HN 0.600 nan 8.360 nan 0.000 0.457 645 M N -0.524 118.837 119.600 -0.398 0.000 2.426 645 M HA -0.143 4.379 4.480 0.069 0.000 0.261 645 M C 0.160 175.868 176.300 -0.987 0.000 1.068 645 M CA 1.490 56.328 55.300 -0.770 0.000 1.066 645 M CB -0.020 31.889 32.600 -1.152 0.000 1.399 645 M HN 0.070 nan 8.290 nan 0.000 0.449 646 F N -0.766 119.140 119.950 -0.073 0.000 2.960 646 F HA 0.238 4.807 4.527 0.069 0.000 0.345 646 F C -0.227 175.566 175.800 -0.011 0.000 1.147 646 F CA -1.059 56.925 58.000 -0.026 0.000 1.099 646 F CB 0.298 39.297 39.000 -0.003 0.000 1.219 646 F HN -0.022 nan 8.300 nan 0.000 0.525 647 D N 2.614 123.069 120.400 0.092 0.000 3.038 647 D HA -0.187 4.494 4.640 0.069 0.000 0.229 647 D C -0.308 176.052 176.300 0.100 0.000 1.182 647 D CA 0.867 54.907 54.000 0.066 0.000 0.852 647 D CB -0.598 40.230 40.800 0.045 0.000 0.932 647 D HN 0.279 nan 8.370 nan 0.000 0.406 648 I N 0.923 121.555 120.570 0.104 0.000 2.436 648 I HA 0.158 4.370 4.170 0.069 0.000 0.289 648 I C 0.695 176.852 176.117 0.066 0.000 1.010 648 I CA -0.691 60.666 61.300 0.096 0.000 1.098 648 I CB 2.100 40.168 38.000 0.113 0.000 1.266 648 I HN -0.047 nan 8.210 nan 0.000 0.434 649 E N 6.115 126.354 120.200 0.065 0.000 2.001 649 E HA 0.306 4.698 4.350 0.069 0.000 0.279 649 E C -1.302 175.337 176.600 0.065 0.000 1.045 649 E CA -0.430 56.005 56.400 0.059 0.000 0.833 649 E CB 1.029 30.767 29.700 0.063 0.000 1.077 649 E HN 0.331 nan 8.360 nan 0.000 0.397 650 V N 5.687 125.624 119.914 0.039 0.000 2.364 650 V HA 0.193 4.354 4.120 0.069 0.000 0.272 650 V C -0.158 175.947 176.094 0.019 0.000 1.036 650 V CA -0.642 61.666 62.300 0.013 0.000 0.880 650 V CB 1.500 33.303 31.823 -0.034 0.000 0.991 650 V HN 0.438 nan 8.190 nan 0.000 0.460 651 V N 4.777 124.705 119.914 0.024 0.000 2.370 651 V HA 0.643 4.805 4.120 0.069 0.000 0.283 651 V C 0.165 176.237 176.094 -0.036 0.000 1.023 651 V CA -0.085 62.239 62.300 0.039 0.000 0.857 651 V CB 1.637 33.561 31.823 0.167 0.000 0.985 651 V HN 0.935 nan 8.190 nan 0.000 0.443 652 T N 5.922 120.460 114.554 -0.026 0.000 2.841 652 T HA 0.889 5.281 4.350 0.069 0.000 0.296 652 T C -0.915 173.767 174.700 -0.031 0.000 1.166 652 T CA -0.533 61.541 62.100 -0.043 0.000 1.007 652 T CB 1.738 70.577 68.868 -0.047 0.000 1.253 652 T HN 0.845 nan 8.240 nan 0.000 0.511 653 M N 0.743 120.321 119.600 -0.037 0.000 2.895 653 M HA 0.594 5.115 4.480 0.069 0.000 0.271 653 M C -2.000 174.272 176.300 -0.047 0.000 1.174 653 M CA -1.015 54.260 55.300 -0.041 0.000 0.816 653 M CB 1.329 33.900 32.600 -0.048 0.000 1.647 653 M HN 0.273 nan 8.290 nan 0.000 0.506 654 D N 1.848 122.213 120.400 -0.058 0.000 2.308 654 D HA 0.476 5.158 4.640 0.069 0.000 0.251 654 D C -0.800 175.446 176.300 -0.090 0.000 1.127 654 D CA -0.029 53.932 54.000 -0.064 0.000 0.876 654 D CB 1.940 42.698 40.800 -0.071 0.000 1.176 654 D HN 0.429 nan 8.370 nan 0.000 0.446 655 V N 4.372 124.241 119.914 -0.075 0.000 2.304 655 V HA 0.299 4.460 4.120 0.069 0.000 0.278 655 V C 0.176 176.227 176.094 -0.072 0.000 1.018 655 V CA -0.595 61.652 62.300 -0.087 0.000 0.814 655 V CB 0.598 32.380 31.823 -0.068 0.000 1.021 655 V HN 0.368 nan 8.190 nan 0.000 0.440 656 I N 5.631 126.142 120.570 -0.098 0.000 2.330 656 I HA 0.360 4.571 4.170 0.069 0.000 0.289 656 I C 1.115 177.270 176.117 0.063 0.000 1.001 656 I CA -0.379 60.898 61.300 -0.038 0.000 1.193 656 I CB 1.546 39.507 38.000 -0.065 0.000 1.345 656 I HN 0.652 nan 8.210 nan 0.000 0.461 657 K N 3.594 124.051 120.400 0.096 0.000 2.352 657 K HA 0.189 4.550 4.320 0.069 0.000 0.194 657 K C 0.095 176.776 176.600 0.136 0.000 1.038 657 K CA 0.243 56.612 56.287 0.136 0.000 1.023 657 K CB 0.367 32.890 32.500 0.038 0.000 0.840 657 K HN 0.372 nan 8.250 nan 0.000 0.519 658 N N 2.306 121.077 118.700 0.119 0.000 2.678 658 N HA 0.136 4.917 4.740 0.069 0.000 0.231 658 N C -1.454 174.117 175.510 0.103 0.000 1.038 658 N CA -0.308 52.773 53.050 0.051 0.000 0.932 658 N CB 0.872 39.384 38.487 0.042 0.000 1.176 658 N HN 0.501 nan 8.380 nan 0.000 0.511 659 H N -1.224 117.857 119.070 0.019 0.000 3.008 659 H HA 0.503 5.101 4.556 0.069 0.000 0.354 659 H C -2.499 172.795 175.328 -0.056 0.000 1.252 659 H CA -1.283 54.779 56.048 0.023 0.000 1.117 659 H CB 1.574 31.377 29.762 0.069 0.000 1.857 659 H HN -0.030 nan 8.280 nan 0.000 0.547 660 P HA 0.090 nan 4.420 nan 0.000 0.264 660 P C -0.284 176.775 177.300 -0.401 0.000 1.259 660 P CA -0.010 62.833 63.100 -0.428 0.000 0.841 660 P CB 0.625 32.298 31.700 -0.045 0.000 1.232 661 V N 3.016 122.905 119.914 -0.043 0.000 2.540 661 V HA 0.053 4.214 4.120 0.069 0.000 0.297 661 V C 0.738 176.740 176.094 -0.155 0.000 1.024 661 V CA 0.607 62.845 62.300 -0.102 0.000 1.105 661 V CB -0.292 31.403 31.823 -0.213 0.000 0.938 661 V HN 0.129 nan 8.190 nan 0.000 0.482 662 R N 3.476 123.823 120.500 -0.254 0.000 2.574 662 R HA 0.694 5.076 4.340 0.069 0.000 0.288 662 R C -0.599 175.389 176.300 -0.520 0.000 1.004 662 R CA -0.600 55.336 56.100 -0.274 0.000 0.895 662 R CB 2.067 32.257 30.300 -0.184 0.000 1.191 662 R HN 0.708 nan 8.270 nan 0.000 0.444 663 A N 3.457 126.091 122.820 -0.310 0.000 2.249 663 A HA 0.509 4.870 4.320 0.069 0.000 0.314 663 A C -0.502 176.947 177.584 -0.226 0.000 1.290 663 A CA -0.521 51.312 52.037 -0.338 0.000 0.893 663 A CB -0.026 18.938 19.000 -0.061 0.000 1.165 663 A HN 0.522 nan 8.150 nan 0.000 0.530 664 F N 2.028 121.957 119.950 -0.034 0.000 2.668 664 F HA 0.425 4.993 4.527 0.069 0.000 0.365 664 F C 1.051 176.839 175.800 -0.019 0.000 1.165 664 F CA 0.041 58.029 58.000 -0.021 0.000 1.344 664 F CB -0.773 38.208 39.000 -0.032 0.000 1.658 664 F HN 0.605 nan 8.300 nan 0.000 0.620 665 A N 1.002 123.901 122.820 0.131 0.000 2.520 665 A HA 0.585 4.946 4.320 0.069 0.000 0.298 665 A C -0.641 176.992 177.584 0.081 0.000 1.051 665 A CA -0.871 51.215 52.037 0.081 0.000 0.690 665 A CB 1.132 20.154 19.000 0.036 0.000 1.281 665 A HN 0.127 nan 8.150 nan 0.000 0.402 666 N N 1.857 120.597 118.700 0.068 0.000 3.091 666 N HA 0.567 5.348 4.740 0.069 0.000 0.255 666 N C -0.665 174.880 175.510 0.060 0.000 1.204 666 N CA -0.109 52.981 53.050 0.068 0.000 0.990 666 N CB -0.330 38.191 38.487 0.058 0.000 1.260 666 N HN 0.743 nan 8.380 nan 0.000 0.502 667 M N -0.853 118.787 119.600 0.066 0.000 2.603 667 M HA 0.498 5.020 4.480 0.069 0.000 0.275 667 M C -1.354 174.991 176.300 0.075 0.000 1.226 667 M CA -0.985 54.352 55.300 0.062 0.000 0.870 667 M CB 1.749 34.374 32.600 0.041 0.000 1.716 667 M HN -0.187 nan 8.290 nan 0.000 0.482 668 K N 2.659 123.106 120.400 0.078 0.000 2.401 668 K HA 0.626 4.988 4.320 0.069 0.000 0.278 668 K C -0.449 176.193 176.600 0.070 0.000 1.018 668 K CA 0.357 56.697 56.287 0.088 0.000 0.981 668 K CB 0.568 33.129 32.500 0.102 0.000 0.933 668 K HN 0.815 nan 8.250 nan 0.000 0.477 669 M N 0.487 120.146 119.600 0.098 0.000 3.493 669 M HA 0.470 4.991 4.480 0.069 0.000 0.300 669 M C -1.935 174.482 176.300 0.196 0.000 1.288 669 M CA -1.177 54.187 55.300 0.107 0.000 0.867 669 M CB 1.442 34.098 32.600 0.093 0.000 1.735 669 M HN 0.568 nan 8.290 nan 0.000 0.518 670 Y N -0.602 119.714 120.300 0.025 0.000 2.604 670 Y HA 0.841 5.432 4.550 0.069 0.000 0.331 670 Y C -2.233 173.696 175.900 0.048 0.000 1.158 670 Y CA -1.489 56.557 58.100 -0.090 0.000 1.056 670 Y CB 1.062 39.452 38.460 -0.117 0.000 1.330 670 Y HN 1.080 nan 8.280 nan 0.000 0.457 671 F N 0.015 120.016 119.950 0.085 0.000 2.693 671 F HA 0.519 5.087 4.527 0.069 0.000 0.309 671 F C -1.840 174.030 175.800 0.117 0.000 1.129 671 F CA -1.342 56.650 58.000 -0.013 0.000 0.948 671 F CB 1.607 40.548 39.000 -0.099 0.000 1.315 671 F HN 0.703 nan 8.300 nan 0.000 0.447 672 N N 1.844 120.741 118.700 0.330 0.000 2.426 672 N HA 0.531 5.313 4.740 0.069 0.000 0.275 672 N C -2.041 173.680 175.510 0.352 0.000 1.019 672 N CA -0.185 53.031 53.050 0.277 0.000 0.941 672 N CB 1.665 40.273 38.487 0.202 0.000 1.123 672 N HN 0.847 nan 8.380 nan 0.000 0.486 673 L N 3.065 124.509 121.223 0.368 0.000 2.439 673 L HA 0.468 4.849 4.340 0.069 0.000 0.270 673 L C 0.838 177.906 176.870 0.330 0.000 0.972 673 L CA 0.242 55.232 54.840 0.251 0.000 0.836 673 L CB 1.330 43.468 42.059 0.132 0.000 1.255 673 L HN 0.763 nan 8.230 nan 0.000 0.404 674 G N 3.046 112.110 108.800 0.441 0.000 2.175 674 G HA2 -0.050 3.952 3.960 0.069 0.000 0.265 674 G HA3 -0.050 3.952 3.960 0.069 0.000 0.265 674 G C 1.083 176.068 174.900 0.140 0.000 0.979 674 G CA 0.796 46.044 45.100 0.246 0.000 0.663 674 G HN 2.202 nan 8.290 nan 0.000 0.533 675 G N -2.315 106.571 108.800 0.144 0.000 2.176 675 G HA2 0.310 4.312 3.960 0.069 0.000 0.232 675 G HA3 0.310 4.312 3.960 0.069 0.000 0.232 675 G C 0.519 175.436 174.900 0.029 0.000 0.986 675 G CA 1.078 46.215 45.100 0.062 0.000 0.643 675 G HN 2.278 nan 8.290 nan 0.000 0.522 676 A N -0.023 122.819 122.820 0.037 0.000 2.350 676 A HA 0.884 5.246 4.320 0.069 0.000 0.318 676 A C -0.260 177.245 177.584 -0.132 0.000 1.132 676 A CA -0.757 51.214 52.037 -0.109 0.000 0.811 676 A CB 1.158 20.018 19.000 -0.233 0.000 1.313 676 A HN 0.540 nan 8.150 nan 0.000 0.454 677 I N 0.406 120.802 120.570 -0.290 0.000 2.412 677 I HA 0.340 4.552 4.170 0.069 0.000 0.296 677 I C -1.218 174.568 176.117 -0.553 0.000 0.987 677 I CA -0.432 60.718 61.300 -0.250 0.000 1.180 677 I CB 0.803 38.707 38.000 -0.159 0.000 1.340 677 I HN 0.576 nan 8.210 nan 0.000 0.455 678 Y N 5.766 125.746 120.300 -0.535 0.000 2.341 678 Y HA 0.546 5.137 4.550 0.069 0.000 0.338 678 Y C -0.223 175.351 175.900 -0.544 0.000 0.965 678 Y CA -0.824 56.878 58.100 -0.664 0.000 1.108 678 Y CB 2.040 39.862 38.460 -1.063 0.000 1.180 678 Y HN 0.406 nan 8.280 nan 0.000 0.458 679 L N 5.127 126.242 121.223 -0.180 0.000 2.376 679 L HA 0.661 5.042 4.340 0.069 0.000 0.275 679 L C -1.687 175.172 176.870 -0.019 0.000 0.987 679 L CA -0.640 54.159 54.840 -0.067 0.000 0.828 679 L CB 1.010 43.022 42.059 -0.079 0.000 1.249 679 L HN 0.496 nan 8.230 nan 0.000 0.409 680 I N 8.142 128.730 120.570 0.031 0.000 2.310 680 I HA 0.409 4.620 4.170 0.069 0.000 0.287 680 I C -1.683 174.435 176.117 0.001 0.000 1.073 680 I CA -1.810 59.506 61.300 0.027 0.000 1.216 680 I CB 1.283 39.330 38.000 0.079 0.000 1.415 680 I HN 0.532 nan 8.210 nan 0.000 0.480 681 P HA -0.076 nan 4.420 nan 0.000 0.220 681 P C -0.831 176.257 177.300 -0.353 0.000 1.148 681 P CA 1.331 64.242 63.100 -0.315 0.000 0.803 681 P CB 0.094 31.319 31.700 -0.793 0.000 0.782 682 H N -5.123 114.002 119.070 0.091 0.000 2.990 682 H HA 0.510 5.108 4.556 0.069 0.000 0.336 682 H C -0.126 175.239 175.328 0.061 0.000 1.306 682 H CA -1.172 54.919 56.048 0.073 0.000 1.118 682 H CB 0.578 30.349 29.762 0.014 0.000 1.856 682 H HN -0.323 nan 8.280 nan 0.000 0.538 683 K N -0.058 120.465 120.400 0.206 0.000 2.918 683 K HA 0.655 5.017 4.320 0.069 0.000 0.318 683 K C -0.600 176.058 176.600 0.097 0.000 0.995 683 K CA -0.727 55.634 56.287 0.124 0.000 1.187 683 K CB 0.477 33.026 32.500 0.082 0.000 1.413 683 K HN 0.382 nan 8.250 nan 0.000 0.556 684 L N 0.656 121.912 121.223 0.056 0.000 2.493 684 L HA 0.328 4.710 4.340 0.069 0.000 0.265 684 L C 0.231 177.107 176.870 0.010 0.000 0.954 684 L CA -0.499 54.359 54.840 0.030 0.000 0.844 684 L CB 2.070 44.151 42.059 0.036 0.000 1.302 684 L HN 0.605 nan 8.230 nan 0.000 0.405 685 K N 0.920 121.313 120.400 -0.012 0.000 2.424 685 K HA 0.159 4.521 4.320 0.069 0.000 0.198 685 K C 1.152 177.731 176.600 -0.034 0.000 1.190 685 K CA 0.381 56.650 56.287 -0.030 0.000 0.935 685 K CB 0.906 33.369 32.500 -0.062 0.000 1.087 685 K HN 0.737 nan 8.250 nan 0.000 0.524 686 Q N 0.007 119.789 119.800 -0.031 0.000 2.499 686 Q HA 0.300 4.681 4.340 0.069 0.000 0.213 686 Q C -0.145 175.848 176.000 -0.012 0.000 0.929 686 Q CA 0.126 55.913 55.803 -0.026 0.000 0.904 686 Q CB 0.559 29.281 28.738 -0.028 0.000 1.052 686 Q HN 0.227 nan 8.270 nan 0.000 0.589 687 A N 2.050 124.866 122.820 -0.007 0.000 2.462 687 A HA 0.135 4.496 4.320 0.069 0.000 0.243 687 A C -0.226 177.359 177.584 0.002 0.000 1.076 687 A CA 0.000 52.036 52.037 -0.002 0.000 0.773 687 A CB 0.272 19.272 19.000 0.000 0.000 1.010 687 A HN 0.319 nan 8.150 nan 0.000 0.493 688 K N 1.327 121.727 120.400 0.001 0.000 2.185 688 K HA 0.545 4.906 4.320 0.069 0.000 0.271 688 K C 0.266 176.870 176.600 0.007 0.000 1.013 688 K CA 0.574 56.863 56.287 0.002 0.000 0.943 688 K CB 0.633 33.131 32.500 -0.003 0.000 0.998 688 K HN 1.485 nan 8.250 nan 0.000 0.468 689 G N 0.880 109.690 108.800 0.017 0.000 2.369 689 G HA2 0.003 4.004 3.960 0.069 0.000 0.307 689 G HA3 0.003 4.004 3.960 0.069 0.000 0.307 689 G C -1.448 173.488 174.900 0.059 0.000 1.327 689 G CA -0.931 44.188 45.100 0.032 0.000 0.963 689 G HN 0.506 nan 8.290 nan 0.000 0.590 690 T N 2.618 117.225 114.554 0.089 0.000 2.797 690 T HA 0.664 5.055 4.350 0.069 0.000 0.279 690 T C -2.372 172.394 174.700 0.111 0.000 0.991 690 T CA -0.646 61.530 62.100 0.127 0.000 0.979 690 T CB 1.769 70.758 68.868 0.201 0.000 0.943 690 T HN 0.449 nan 8.240 nan 0.000 0.444 691 P HA 0.211 nan 4.420 nan 0.000 0.267 691 P C -0.704 176.650 177.300 0.090 0.000 1.200 691 P CA -0.168 62.992 63.100 0.099 0.000 0.772 691 P CB 0.382 32.144 31.700 0.104 0.000 0.855 692 I N 4.748 125.367 120.570 0.081 0.000 2.330 692 I HA 0.278 4.490 4.170 0.069 0.000 0.289 692 I C -2.085 174.102 176.117 0.115 0.000 1.001 692 I CA -2.465 58.871 61.300 0.060 0.000 1.193 692 I CB 1.397 39.412 38.000 0.025 0.000 1.345 692 I HN 0.177 nan 8.210 nan 0.000 0.461 693 P HA 0.241 nan 4.420 nan 0.000 0.272 693 P C -0.554 176.915 177.300 0.282 0.000 1.230 693 P CA -0.179 63.056 63.100 0.226 0.000 0.788 693 P CB 0.737 32.623 31.700 0.310 0.000 0.949 694 I N 1.447 122.048 120.570 0.052 0.000 2.331 694 I HA 0.252 4.463 4.170 0.069 0.000 0.292 694 I C 0.804 176.756 176.117 -0.275 0.000 0.998 694 I CA -0.698 60.576 61.300 -0.042 0.000 1.267 694 I CB 0.903 38.852 38.000 -0.085 0.000 1.386 694 I HN 0.210 nan 8.210 nan 0.000 0.476 695 K N 7.702 127.818 120.400 -0.473 0.000 2.201 695 K HA 0.564 4.926 4.320 0.069 0.000 0.278 695 K C -1.344 174.960 176.600 -0.494 0.000 1.027 695 K CA -0.485 55.315 56.287 -0.811 0.000 0.909 695 K CB 0.885 32.762 32.500 -1.038 0.000 1.062 695 K HN 0.572 nan 8.250 nan 0.000 0.465 696 L N 3.701 124.635 121.223 -0.482 0.000 2.322 696 L HA 0.744 5.126 4.340 0.069 0.000 0.281 696 L C -0.438 176.277 176.870 -0.259 0.000 1.014 696 L CA -0.650 54.015 54.840 -0.291 0.000 0.815 696 L CB 1.773 43.695 42.059 -0.228 0.000 1.247 696 L HN 0.879 nan 8.230 nan 0.000 0.421 697 A N 2.174 124.887 122.820 -0.177 0.000 2.564 697 A HA 0.540 4.902 4.320 0.069 0.000 0.291 697 A C -0.779 176.757 177.584 -0.081 0.000 1.102 697 A CA -0.817 51.142 52.037 -0.130 0.000 0.660 697 A CB 1.062 19.976 19.000 -0.143 0.000 1.283 697 A HN 0.653 nan 8.150 nan 0.000 0.430 698 K N -0.239 120.126 120.400 -0.057 0.000 3.311 698 K HA -0.196 4.165 4.320 0.069 0.000 0.270 698 K C 0.049 176.631 176.600 -0.030 0.000 0.927 698 K CA 1.435 57.701 56.287 -0.035 0.000 0.706 698 K CB -1.142 31.340 32.500 -0.029 0.000 1.418 698 K HN 0.656 nan 8.250 nan 0.000 0.459 699 K N 1.703 122.086 120.400 -0.029 0.000 2.295 699 K HA 0.216 4.578 4.320 0.069 0.000 0.270 699 K C -0.188 176.407 176.600 -0.008 0.000 1.011 699 K CA -0.142 56.133 56.287 -0.019 0.000 0.953 699 K CB 0.629 33.120 32.500 -0.016 0.000 0.956 699 K HN 0.230 nan 8.250 nan 0.000 0.477 700 R N 2.470 122.968 120.500 -0.003 0.000 2.799 700 R HA 0.484 4.866 4.340 0.069 0.000 0.270 700 R C -1.373 174.933 176.300 0.010 0.000 1.010 700 R CA -1.111 54.991 56.100 0.002 0.000 0.916 700 R CB 1.032 31.331 30.300 -0.002 0.000 1.228 700 R HN 0.506 nan 8.270 nan 0.000 0.469 701 I N 1.475 122.053 120.570 0.014 0.000 2.465 701 I HA 0.465 4.676 4.170 0.069 0.000 0.291 701 I C -1.305 174.821 176.117 0.014 0.000 1.014 701 I CA -0.835 60.478 61.300 0.022 0.000 1.093 701 I CB 1.677 39.693 38.000 0.028 0.000 1.267 701 I HN 0.521 nan 8.210 nan 0.000 0.431 702 I N 7.653 128.231 120.570 0.014 0.000 2.411 702 I HA 0.424 4.636 4.170 0.069 0.000 0.284 702 I C -0.640 175.487 176.117 0.017 0.000 1.012 702 I CA -0.664 60.642 61.300 0.009 0.000 1.119 702 I CB 0.966 38.962 38.000 -0.007 0.000 1.261 702 I HN 0.409 nan 8.210 nan 0.000 0.448 703 K N 5.112 125.522 120.400 0.017 0.000 2.324 703 K HA 0.413 4.775 4.320 0.069 0.000 0.253 703 K C -0.231 176.377 176.600 0.013 0.000 0.932 703 K CA -0.958 55.340 56.287 0.018 0.000 0.799 703 K CB 1.520 34.030 32.500 0.017 0.000 1.154 703 K HN 0.474 nan 8.250 nan 0.000 0.425 704 N N 1.445 120.152 118.700 0.011 0.000 2.702 704 N HA -0.247 4.535 4.740 0.069 0.000 0.255 704 N C 0.559 176.069 175.510 0.002 0.000 0.983 704 N CA 1.410 54.459 53.050 -0.000 0.000 0.768 704 N CB -1.061 37.425 38.487 -0.003 0.000 0.918 704 N HN 1.145 nan 8.380 nan 0.000 0.540 705 G N -1.576 107.230 108.800 0.010 0.000 2.155 705 G HA2 -0.345 3.657 3.960 0.069 0.000 0.257 705 G HA3 -0.345 3.657 3.960 0.069 0.000 0.257 705 G C -0.039 174.874 174.900 0.021 0.000 0.983 705 G CA 0.720 45.833 45.100 0.021 0.000 0.676 705 G HN 0.403 nan 8.290 nan 0.000 0.528 706 K N 0.163 120.573 120.400 0.016 0.000 2.182 706 K HA 0.663 5.024 4.320 0.069 0.000 0.262 706 K C -0.075 176.533 176.600 0.013 0.000 0.957 706 K CA -0.670 55.626 56.287 0.014 0.000 0.842 706 K CB 2.447 34.953 32.500 0.011 0.000 1.099 706 K HN 0.084 nan 8.250 nan 0.000 0.438 707 V N 2.368 122.290 119.914 0.013 0.000 2.435 707 V HA 0.281 4.442 4.120 0.069 0.000 0.290 707 V C 0.015 176.115 176.094 0.010 0.000 1.030 707 V CA -0.655 61.651 62.300 0.011 0.000 0.881 707 V CB 1.559 33.389 31.823 0.011 0.000 0.983 707 V HN 0.622 nan 8.190 nan 0.000 0.445 708 E N 3.903 124.108 120.200 0.009 0.000 2.255 708 E HA 0.282 4.674 4.350 0.069 0.000 0.245 708 E C -0.697 175.907 176.600 0.007 0.000 0.909 708 E CA -0.597 55.807 56.400 0.008 0.000 0.747 708 E CB 1.239 30.944 29.700 0.008 0.000 1.215 708 E HN 0.563 nan 8.360 nan 0.000 0.424 709 K N 2.074 122.477 120.400 0.006 0.000 2.550 709 K HA -0.087 4.274 4.320 0.069 0.000 0.280 709 K C 0.206 176.808 176.600 0.003 0.000 0.987 709 K CA 0.718 57.007 56.287 0.003 0.000 1.048 709 K CB 0.504 33.006 32.500 0.003 0.000 0.879 709 K HN 0.329 nan 8.250 nan 0.000 0.491 710 Q N 0.131 119.931 119.800 0.001 0.000 3.156 710 Q HA 0.453 4.834 4.340 0.069 0.000 0.301 710 Q C -1.184 174.815 176.000 -0.002 0.000 1.026 710 Q CA -0.540 55.264 55.803 0.002 0.000 0.827 710 Q CB 2.215 30.957 28.738 0.007 0.000 1.490 710 Q HN 0.506 nan 8.270 nan 0.000 0.492 711 S N -0.245 115.454 115.700 -0.001 0.000 2.538 711 S HA 0.607 5.118 4.470 0.069 0.000 0.288 711 S C -0.858 173.739 174.600 -0.005 0.000 1.108 711 S CA -0.579 57.618 58.200 -0.004 0.000 0.971 711 S CB 0.642 63.842 63.200 -0.001 0.000 1.041 711 S HN 0.447 nan 8.310 nan 0.000 0.483 712 I N 3.407 123.970 120.570 -0.013 0.000 2.496 712 I HA 0.216 4.427 4.170 0.069 0.000 0.285 712 I C 1.097 177.205 176.117 -0.015 0.000 1.080 712 I CA -0.115 61.173 61.300 -0.020 0.000 1.404 712 I CB 0.968 38.941 38.000 -0.044 0.000 1.403 712 I HN 0.610 nan 8.210 nan 0.000 0.539 713 T N 2.467 117.010 114.554 -0.018 0.000 2.936 713 T HA 0.387 4.779 4.350 0.069 0.000 0.282 713 T C 1.037 175.708 174.700 -0.049 0.000 1.003 713 T CA -0.826 61.263 62.100 -0.018 0.000 1.005 713 T CB 1.448 70.307 68.868 -0.014 0.000 1.097 713 T HN 0.534 nan 8.240 nan 0.000 0.532 714 R N -0.140 120.335 120.500 -0.041 0.000 2.193 714 R HA -0.064 4.317 4.340 0.069 0.000 0.229 714 R C 2.413 178.647 176.300 -0.111 0.000 1.110 714 R CA 0.723 56.764 56.100 -0.099 0.000 0.988 714 R CB -0.153 30.136 30.300 -0.018 0.000 0.871 714 R HN 0.529 nan 8.270 nan 0.000 0.458 715 Q N 0.859 120.628 119.800 -0.052 0.000 2.079 715 Q HA -0.128 4.254 4.340 0.069 0.000 0.200 715 Q C 1.461 177.467 176.000 0.011 0.000 0.974 715 Q CA 1.466 57.258 55.803 -0.018 0.000 0.840 715 Q CB -0.114 28.615 28.738 -0.016 0.000 0.898 715 Q HN 0.320 nan 8.270 nan 0.000 0.430 716 D N -0.324 120.077 120.400 0.002 0.000 2.097 716 D HA -0.126 4.555 4.640 0.069 0.000 0.195 716 D C 2.034 178.319 176.300 -0.026 0.000 0.989 716 D CA 1.086 55.104 54.000 0.029 0.000 0.827 716 D CB -0.163 40.642 40.800 0.008 0.000 0.966 716 D HN 0.066 nan 8.370 nan 0.000 0.456 717 V N 1.675 121.508 119.914 -0.135 0.000 2.332 717 V HA -0.219 3.943 4.120 0.069 0.000 0.248 717 V C 2.606 178.608 176.094 -0.155 0.000 1.055 717 V CA 1.104 63.261 62.300 -0.239 0.000 1.038 717 V CB -0.486 30.997 31.823 -0.566 0.000 0.651 717 V HN 0.211 nan 8.190 nan 0.000 0.450 718 L N -0.310 120.839 121.223 -0.123 0.000 2.093 718 L HA -0.174 4.207 4.340 0.069 0.000 0.208 718 L C 2.350 179.243 176.870 0.038 0.000 1.085 718 L CA 1.690 56.499 54.840 -0.052 0.000 0.755 718 L CB -0.404 41.641 42.059 -0.024 0.000 0.904 718 L HN 0.380 nan 8.230 nan 0.000 0.435 719 D N 0.079 120.554 120.400 0.124 0.000 2.097 719 D HA -0.183 4.498 4.640 0.069 0.000 0.197 719 D C 2.245 178.655 176.300 0.183 0.000 0.984 719 D CA 1.140 55.309 54.000 0.282 0.000 0.826 719 D CB 0.002 41.049 40.800 0.411 0.000 0.973 719 D HN 0.260 nan 8.370 nan 0.000 0.460 720 I N 0.698 121.307 120.570 0.066 0.000 2.226 720 I HA -0.220 3.992 4.170 0.069 0.000 0.245 720 I C 2.335 178.424 176.117 -0.046 0.000 1.100 720 I CA 0.657 61.947 61.300 -0.016 0.000 1.374 720 I CB -1.157 36.809 38.000 -0.057 0.000 1.057 720 I HN -0.058 nan 8.210 nan 0.000 0.413 721 F N 2.270 122.129 119.950 -0.152 0.000 2.043 721 F HA -0.285 4.283 4.527 0.068 0.000 0.297 721 F C 2.485 178.175 175.800 -0.183 0.000 1.121 721 F CA 1.915 59.803 58.000 -0.186 0.000 1.199 721 F CB -0.289 38.587 39.000 -0.207 0.000 0.968 721 F HN -0.094 nan 8.300 nan 0.000 0.478 722 I N 0.410 120.853 120.570 -0.210 0.000 2.226 722 I HA -0.284 3.927 4.170 0.069 0.000 0.245 722 I C 2.601 178.582 176.117 -0.226 0.000 1.100 722 I CA 1.304 62.406 61.300 -0.330 0.000 1.374 722 I CB -1.668 36.046 38.000 -0.476 0.000 1.057 722 I HN 0.288 nan 8.210 nan 0.000 0.413 723 L N 0.292 121.465 121.223 -0.083 0.000 2.127 723 L HA -0.220 4.161 4.340 0.069 0.000 0.211 723 L C 2.438 179.154 176.870 -0.256 0.000 1.089 723 L CA 1.462 56.187 54.840 -0.192 0.000 0.757 723 L CB -0.786 41.149 42.059 -0.208 0.000 0.899 723 L HN 0.275 nan 8.230 nan 0.000 0.434 724 T N -1.473 112.916 114.554 -0.274 0.000 2.978 724 T HA -0.030 4.362 4.350 0.069 0.000 0.262 724 T C 1.883 176.428 174.700 -0.259 0.000 1.063 724 T CA 0.411 62.356 62.100 -0.258 0.000 1.140 724 T CB -0.012 68.684 68.868 -0.286 0.000 0.886 724 T HN 0.183 nan 8.240 nan 0.000 0.470 725 R N 1.279 121.533 120.500 -0.409 0.000 2.237 725 R HA 0.116 4.497 4.340 0.069 0.000 0.219 725 R C 0.645 176.776 176.300 -0.282 0.000 1.080 725 R CA 0.294 56.183 56.100 -0.351 0.000 0.995 725 R CB -1.018 28.990 30.300 -0.487 0.000 0.875 725 R HN 0.415 nan 8.270 nan 0.000 0.462 726 L N 3.819 124.864 121.223 -0.298 0.000 2.454 726 L HA 0.091 4.473 4.340 0.069 0.000 0.284 726 L C 1.220 177.993 176.870 -0.162 0.000 1.139 726 L CA -0.165 54.464 54.840 -0.351 0.000 0.911 726 L CB 0.027 41.895 42.059 -0.319 0.000 1.262 726 L HN 0.180 nan 8.230 nan 0.000 0.453 727 N N 2.456 121.075 118.700 -0.136 0.000 2.181 727 N HA -0.094 4.688 4.740 0.069 0.000 0.207 727 N C 0.198 175.902 175.510 0.325 0.000 1.182 727 N CA -0.373 52.721 53.050 0.072 0.000 0.893 727 N CB 0.312 38.779 38.487 -0.033 0.000 1.032 727 N HN 0.467 nan 8.380 nan 0.000 0.513 728 Y N 1.169 121.568 120.300 0.165 0.000 3.234 728 Y HA -0.147 4.445 4.550 0.069 0.000 0.207 728 Y C 1.387 177.436 175.900 0.248 0.000 1.316 728 Y CA 0.745 59.010 58.100 0.276 0.000 1.309 728 Y CB -1.951 36.697 38.460 0.313 0.000 1.408 728 Y HN 0.393 nan 8.280 nan 0.000 0.544 729 G N -0.022 108.957 108.800 0.298 0.000 2.258 729 G HA2 -0.344 3.657 3.960 0.069 0.000 0.274 729 G HA3 -0.344 3.657 3.960 0.069 0.000 0.274 729 G C 0.350 175.328 174.900 0.130 0.000 1.021 729 G CA 0.568 45.815 45.100 0.246 0.000 0.798 729 G HN 1.029 nan 8.290 nan 0.000 0.507 730 S N -0.321 115.459 115.700 0.134 0.000 2.498 730 S HA 0.468 4.980 4.470 0.069 0.000 0.281 730 S C 1.336 175.963 174.600 0.045 0.000 1.265 730 S CA -0.563 57.691 58.200 0.090 0.000 1.071 730 S CB 0.052 63.307 63.200 0.092 0.000 0.894 730 S HN 0.375 nan 8.310 nan 0.000 0.491 737 L N 2.957 124.124 121.223 -0.094 0.000 2.416 737 L HA 0.574 4.955 4.340 0.069 0.000 0.262 737 L C -2.130 174.676 176.870 -0.107 0.000 1.093 737 L CA -2.293 52.503 54.840 -0.073 0.000 0.801 737 L CB 0.978 43.024 42.059 -0.022 0.000 1.191 737 L HN -0.032 nan 8.230 nan 0.000 0.459 738 P HA -0.018 nan 4.420 nan 0.000 0.264 738 P C 0.122 177.341 177.300 -0.136 0.000 1.193 738 P CA 0.155 63.168 63.100 -0.145 0.000 0.763 738 P CB 0.893 32.510 31.700 -0.139 0.000 0.810 739 A N 6.909 129.618 122.820 -0.186 0.000 1.909 739 A HA -0.222 4.140 4.320 0.069 0.000 0.221 739 A C -0.415 177.202 177.584 0.055 0.000 1.223 739 A CA 2.254 54.242 52.037 -0.082 0.000 0.658 739 A CB -2.566 16.374 19.000 -0.101 0.000 0.831 739 A HN 0.489 nan 8.150 nan 0.000 0.462 740 P HA -0.140 nan 4.420 nan 0.000 0.214 740 P C 1.675 179.080 177.300 0.176 0.000 1.163 740 P CA 1.747 64.934 63.100 0.145 0.000 0.889 740 P CB -0.206 31.491 31.700 -0.005 0.000 0.790 741 V N -1.052 118.906 119.914 0.072 0.000 2.343 741 V HA -0.274 3.888 4.120 0.069 0.000 0.247 741 V C 2.474 178.630 176.094 0.103 0.000 1.051 741 V CA 2.206 64.557 62.300 0.086 0.000 1.036 741 V CB -1.465 30.377 31.823 0.032 0.000 0.654 741 V HN 0.179 nan 8.190 nan 0.000 0.451 742 H N -0.617 118.418 119.070 -0.059 0.000 2.352 742 H HA -0.212 4.386 4.556 0.069 0.000 0.299 742 H C 2.032 177.320 175.328 -0.068 0.000 1.097 742 H CA 2.251 58.214 56.048 -0.141 0.000 1.311 742 H CB -0.256 29.287 29.762 -0.366 0.000 1.377 742 H HN 0.479 nan 8.280 nan 0.000 0.504 743 Y N -0.287 120.084 120.300 0.119 0.000 2.395 743 Y HA 0.117 4.709 4.550 0.069 0.000 0.293 743 Y C 2.693 178.693 175.900 0.167 0.000 1.123 743 Y CA 0.738 58.904 58.100 0.110 0.000 1.227 743 Y CB -0.787 37.798 38.460 0.209 0.000 1.012 743 Y HN 0.389 nan 8.280 nan 0.000 0.552 744 A N -0.416 122.580 122.820 0.293 0.000 1.902 744 A HA -0.284 4.077 4.320 0.069 0.000 0.217 744 A C 1.988 179.686 177.584 0.192 0.000 1.181 744 A CA 2.170 54.354 52.037 0.244 0.000 0.623 744 A CB -1.061 18.070 19.000 0.218 0.000 0.818 744 A HN 0.557 nan 8.150 nan 0.000 0.443 745 H N -0.282 118.818 119.070 0.050 0.000 2.321 745 H HA -0.056 4.541 4.556 0.069 0.000 0.300 745 H C 2.020 177.335 175.328 -0.022 0.000 1.087 745 H CA 2.000 58.042 56.048 -0.009 0.000 1.319 745 H CB 0.055 29.787 29.762 -0.050 0.000 1.379 745 H HN 0.184 nan 8.280 nan 0.000 0.501 746 K N -0.229 120.157 120.400 -0.024 0.000 2.103 746 K HA -0.140 4.222 4.320 0.069 0.000 0.207 746 K C 2.143 178.755 176.600 0.020 0.000 1.048 746 K CA 1.033 57.319 56.287 -0.001 0.000 0.930 746 K CB -0.685 31.900 32.500 0.142 0.000 0.716 746 K HN 0.293 nan 8.250 nan 0.000 0.444 747 F N 1.334 121.168 119.950 -0.193 0.000 2.163 747 F HA -0.050 4.518 4.527 0.069 0.000 0.297 747 F C 2.094 177.635 175.800 -0.431 0.000 1.094 747 F CA 0.998 58.600 58.000 -0.663 0.000 1.290 747 F CB -0.587 37.966 39.000 -0.746 0.000 1.017 747 F HN -0.004 nan 8.300 nan 0.000 0.483 748 A N 0.051 122.695 122.820 -0.294 0.000 2.024 748 A HA -0.227 4.134 4.320 0.069 0.000 0.220 748 A C 1.889 179.268 177.584 -0.340 0.000 1.164 748 A CA 2.045 53.892 52.037 -0.317 0.000 0.643 748 A CB -0.903 18.003 19.000 -0.158 0.000 0.806 748 A HN 0.502 nan 8.150 nan 0.000 0.451 749 N N -0.147 118.339 118.700 -0.357 0.000 2.300 749 N HA 0.100 4.881 4.740 0.069 0.000 0.179 749 N C 1.772 177.156 175.510 -0.210 0.000 1.016 749 N CA 1.192 54.076 53.050 -0.277 0.000 0.876 749 N CB -0.313 38.002 38.487 -0.286 0.000 0.979 749 N HN 0.428 nan 8.380 nan 0.000 0.432 750 A N 0.620 123.235 122.820 -0.341 0.000 1.898 750 A HA -0.021 4.341 4.320 0.069 0.000 0.216 750 A C 2.098 179.597 177.584 -0.142 0.000 1.181 750 A CA 0.858 52.699 52.037 -0.327 0.000 0.620 750 A CB -0.620 17.955 19.000 -0.708 0.000 0.819 750 A HN 0.204 nan 8.150 nan 0.000 0.442 751 I N -0.709 119.612 120.570 -0.415 0.000 2.226 751 I HA -0.237 3.974 4.170 0.069 0.000 0.245 751 I C 2.418 178.457 176.117 -0.130 0.000 1.100 751 I CA 1.158 62.267 61.300 -0.318 0.000 1.374 751 I CB -0.267 37.440 38.000 -0.488 0.000 1.057 751 I HN 0.248 nan 8.210 nan 0.000 0.413 752 R N 0.743 121.173 120.500 -0.116 0.000 2.307 752 R HA 0.004 4.385 4.340 0.069 0.000 0.199 752 R C 0.735 177.041 176.300 0.009 0.000 1.000 752 R CA 0.490 56.565 56.100 -0.042 0.000 1.023 752 R CB -0.225 30.046 30.300 -0.048 0.000 0.908 752 R HN 0.405 nan 8.270 nan 0.000 0.473 753 N N 0.478 119.216 118.700 0.064 0.000 2.187 753 N HA 0.002 4.783 4.740 0.069 0.000 0.212 753 N C -0.386 175.197 175.510 0.123 0.000 1.152 753 N CA 0.130 53.253 53.050 0.123 0.000 0.872 753 N CB 0.772 39.397 38.487 0.229 0.000 1.025 753 N HN 0.036 nan 8.380 nan 0.000 0.514 754 E N -1.471 118.790 120.200 0.102 0.000 3.687 754 E HA -0.187 4.204 4.350 0.069 0.000 0.319 754 E C -0.830 175.841 176.600 0.119 0.000 0.821 754 E CA 0.250 56.690 56.400 0.066 0.000 1.195 754 E CB -1.862 27.844 29.700 0.009 0.000 1.605 754 E HN 0.358 nan 8.360 nan 0.000 0.419 755 W N 2.474 123.797 121.300 0.038 0.000 2.193 755 W HA 0.095 4.796 4.660 0.069 0.000 0.338 755 W C 1.502 178.139 176.519 0.196 0.000 1.310 755 W CA 0.700 58.137 57.345 0.153 0.000 1.243 755 W CB 0.317 29.874 29.460 0.162 0.000 1.165 755 W HN -0.050 nan 8.180 nan 0.000 0.566 756 K N 3.135 123.835 120.400 0.500 0.000 2.440 756 K HA 0.115 4.477 4.320 0.069 0.000 0.270 756 K C -0.295 176.632 176.600 0.546 0.000 0.980 756 K CA 0.041 56.556 56.287 0.381 0.000 0.953 756 K CB 0.201 32.837 32.500 0.227 0.000 0.925 756 K HN 0.461 nan 8.250 nan 0.000 0.497 757 I N 5.042 125.815 120.570 0.338 0.000 2.523 757 I HA 0.105 4.316 4.170 0.069 0.000 0.281 757 I C -0.281 176.001 176.117 0.275 0.000 1.126 757 I CA -0.701 60.828 61.300 0.381 0.000 1.187 757 I CB 0.793 38.936 38.000 0.239 0.000 1.478 757 I HN 0.349 nan 8.210 nan 0.000 0.522 758 K N 4.855 125.427 120.400 0.286 0.000 2.237 758 K HA 0.084 4.445 4.320 0.069 0.000 0.283 758 K C 0.905 177.545 176.600 0.067 0.000 1.080 758 K CA 0.169 56.440 56.287 -0.026 0.000 0.965 758 K CB 0.473 32.716 32.500 -0.428 0.000 1.098 758 K HN 0.510 nan 8.250 nan 0.000 0.434 759 E N 1.324 121.546 120.200 0.036 0.000 2.418 759 E HA -0.167 4.224 4.350 0.069 0.000 0.197 759 E C 1.335 177.863 176.600 -0.120 0.000 1.026 759 E CA 0.439 56.871 56.400 0.054 0.000 0.862 759 E CB 0.314 30.060 29.700 0.077 0.000 0.799 759 E HN 0.552 nan 8.360 nan 0.000 0.518 760 E N 0.202 120.299 120.200 -0.172 0.000 2.072 760 E HA -0.159 4.232 4.350 0.069 0.000 0.191 760 E C 1.464 178.037 176.600 -0.045 0.000 0.985 760 E CA 0.826 57.123 56.400 -0.172 0.000 0.801 760 E CB 0.121 29.671 29.700 -0.250 0.000 0.750 760 E HN 0.155 nan 8.360 nan 0.000 0.452 761 F N 0.703 120.437 119.950 -0.360 0.000 2.187 761 F HA -0.008 4.561 4.527 0.070 0.000 0.295 761 F C 2.252 177.987 175.800 -0.109 0.000 1.091 761 F CA 0.595 58.198 58.000 -0.663 0.000 1.308 761 F CB -0.881 37.810 39.000 -0.516 0.000 1.030 761 F HN 0.027 nan 8.300 nan 0.000 0.487 762 L N -0.288 121.115 121.223 0.301 0.000 2.201 762 L HA -0.106 4.276 4.340 0.069 0.000 0.212 762 L C 2.535 179.533 176.870 0.213 0.000 1.105 762 L CA 0.911 55.899 54.840 0.246 0.000 0.775 762 L CB -1.043 41.139 42.059 0.205 0.000 0.913 762 L HN 0.057 nan 8.230 nan 0.000 0.440 763 A N -0.305 122.565 122.820 0.083 0.000 2.070 763 A HA -0.139 4.223 4.320 0.069 0.000 0.220 763 A C 1.767 179.393 177.584 0.069 0.000 1.159 763 A CA 1.301 53.311 52.037 -0.045 0.000 0.656 763 A CB -0.197 18.619 19.000 -0.306 0.000 0.800 763 A HN 0.487 nan 8.150 nan 0.000 0.453 764 E N -1.742 118.553 120.200 0.158 0.000 2.734 764 E HA 0.333 4.724 4.350 0.069 0.000 0.211 764 E C 0.585 177.319 176.600 0.224 0.000 0.991 764 E CA 0.092 56.610 56.400 0.197 0.000 1.065 764 E CB 0.229 30.087 29.700 0.263 0.000 1.047 764 E HN 0.630 nan 8.360 nan 0.000 0.470 765 G N 1.496 110.408 108.800 0.186 0.000 2.176 765 G HA2 -0.291 3.711 3.960 0.069 0.000 0.252 765 G HA3 -0.291 3.711 3.960 0.069 0.000 0.252 765 G C -0.109 174.834 174.900 0.073 0.000 1.024 765 G CA -0.251 44.886 45.100 0.061 0.000 0.755 765 G HN 0.212 nan 8.290 nan 0.000 0.507 766 F N -0.033 119.900 119.950 -0.027 0.000 2.533 766 F HA 0.337 4.906 4.527 0.070 0.000 0.378 766 F C 1.554 177.223 175.800 -0.219 0.000 1.070 766 F CA -0.271 57.708 58.000 -0.034 0.000 1.172 766 F CB 0.709 39.805 39.000 0.161 0.000 1.085 766 F HN 0.028 nan 8.300 nan 0.000 0.552 767 L N 6.289 127.299 121.223 -0.355 0.000 2.934 767 L HA 0.017 4.399 4.340 0.069 0.000 0.233 767 L C 0.976 177.334 176.870 -0.854 0.000 1.358 767 L CA -0.353 53.931 54.840 -0.928 0.000 1.233 767 L CB -0.796 40.675 42.059 -0.981 0.000 1.594 767 L HN 0.710 nan 8.230 nan 0.000 0.439 768 Y N -1.100 118.921 120.300 -0.465 0.000 2.497 768 Y HA -0.150 4.442 4.550 0.069 0.000 0.292 768 Y C 1.667 177.266 175.900 -0.502 0.000 1.137 768 Y CA 0.382 58.310 58.100 -0.287 0.000 1.285 768 Y CB -0.942 37.487 38.460 -0.052 0.000 0.991 768 Y HN 0.353 nan 8.280 nan 0.000 0.556 769 F N -1.499 117.922 119.950 -0.882 0.000 2.746 769 F HA 0.456 5.025 4.527 0.070 0.000 0.297 769 F C 0.522 175.893 175.800 -0.713 0.000 1.113 769 F CA -1.112 56.116 58.000 -1.286 0.000 1.367 769 F CB -0.979 37.215 39.000 -1.344 0.000 1.111 769 F HN -0.163 nan 8.300 nan 0.000 0.590 770 V N 0.000 119.323 119.914 -0.985 0.000 2.409 770 V HA 0.000 4.161 4.120 0.069 0.000 0.244 770 V CA 0.000 62.023 62.300 -0.461 0.000 1.235 770 V CB 0.000 31.542 31.823 -0.468 0.000 1.184 770 V HN 0.000 nan 8.190 nan 0.000 0.556