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 3dhf_1_B DATA FIRST_RESID 9 DATA SEQUENCE FNILLATDSY KVTHYKQYPP NTSKVYSYFE CREXXXXXXX XXXXXYEETV DATA SEQUENCE FYGLQYILNK YLKGKVVTKE KIQEAKDVYK EHFQDDVFNE KGWNYILEKY DATA SEQUENCE DGHLPIEIKA VPEGFVIPRG NVLFTVENTD PECYWLTNWI ETILVQSWYP DATA SEQUENCE ITVATNSREQ KKILAKYLLE TSGNLDGLEY KLHDFGYRGV SSQETAGIGA DATA SEQUENCE SAHLVNFKGT DTVAGLALIK KYYGTKDPVP GYSVPAAEHS TITAWGKDHE DATA SEQUENCE KDAFEHIVTQ FSSVPVSVVS DSYDIYNACE KIWGEDLRHL IVSRSTQAPL DATA SEQUENCE IIRPDSGNPL DTVLKVLEIL GKKFPVTENS KGYKLLPPYL RVIQGDGVDI DATA SEQUENCE NTLQEIVEGM KQKMWSIENI AFGSGGGLLQ KLTRDLLNCS FKCSYVVTNG DATA SEQUENCE LGINVFKDPV ADPNKRSKKG RLSLHRTPAG NFVTLEEGKG DLEEYGQDLL DATA SEQUENCE HTVFKNGKVT KSYSFDEIRK NAQLNI VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 9 F HA 0.000 nan 4.527 nan 0.000 0.279 9 F C 0.000 175.811 175.800 0.018 0.000 0.967 9 F CA 0.000 58.028 58.000 0.047 0.000 1.383 9 F CB 0.000 39.090 39.000 0.149 0.000 1.145 10 N N 6.734 124.959 118.700 -0.792 0.000 2.531 10 N HA 0.277 5.015 4.740 -0.004 0.000 0.268 10 N C 0.384 175.413 175.510 -0.802 0.000 1.023 10 N CA -0.469 52.237 53.050 -0.573 0.000 0.896 10 N CB 1.401 39.666 38.487 -0.371 0.000 1.233 10 N HN 0.931 nan 8.380 nan 0.000 0.512 11 I N 2.778 123.062 120.570 -0.476 0.000 2.530 11 I HA -0.217 3.951 4.170 -0.004 0.000 0.257 11 I C 0.862 176.990 176.117 0.019 0.000 1.179 11 I CA 0.934 62.152 61.300 -0.137 0.000 1.440 11 I CB 0.338 38.469 38.000 0.219 0.000 1.087 11 I HN 0.483 nan 8.210 nan 0.000 0.440 12 L N 0.081 121.168 121.223 -0.227 0.000 2.362 12 L HA -0.093 4.244 4.340 -0.004 0.000 0.219 12 L C 1.651 178.681 176.870 0.266 0.000 1.134 12 L CA 1.402 56.181 54.840 -0.102 0.000 0.807 12 L CB -0.409 41.346 42.059 -0.506 0.000 0.927 12 L HN 0.242 nan 8.230 nan 0.000 0.447 13 L N -1.196 120.006 121.223 -0.034 0.000 2.910 13 L HA 0.342 4.680 4.340 -0.004 0.000 0.252 13 L C 0.910 177.715 176.870 -0.107 0.000 1.195 13 L CA -0.131 54.658 54.840 -0.086 0.000 1.003 13 L CB 0.121 42.005 42.059 -0.291 0.000 1.328 13 L HN 0.090 nan 8.230 nan 0.000 0.540 14 A N -0.376 122.410 122.820 -0.057 0.000 3.041 14 A HA 0.502 4.819 4.320 -0.004 0.000 0.307 14 A C 0.155 177.736 177.584 -0.004 0.000 1.116 14 A CA -0.057 51.946 52.037 -0.057 0.000 1.001 14 A CB 0.209 19.167 19.000 -0.069 0.000 1.112 14 A HN 0.126 nan 8.150 nan 0.000 0.556 15 T N -0.803 113.697 114.554 -0.090 0.000 2.887 15 T HA 0.359 4.707 4.350 -0.004 0.000 0.292 15 T C -1.276 173.343 174.700 -0.135 0.000 1.087 15 T CA -0.583 61.376 62.100 -0.235 0.000 1.009 15 T CB 1.066 69.461 68.868 -0.788 0.000 1.203 15 T HN 0.309 nan 8.240 nan 0.000 0.518 16 D N 1.943 122.300 120.400 -0.073 0.000 2.424 16 D HA 0.131 4.768 4.640 -0.004 0.000 0.244 16 D C 1.163 177.507 176.300 0.073 0.000 1.134 16 D CA 0.204 54.239 54.000 0.059 0.000 0.881 16 D CB 1.427 42.380 40.800 0.255 0.000 1.191 16 D HN 0.498 nan 8.370 nan 0.000 0.445 17 S N 1.909 117.687 115.700 0.130 0.000 2.372 17 S HA -0.272 4.195 4.470 -0.004 0.000 0.227 17 S C 1.904 176.698 174.600 0.323 0.000 1.044 17 S CA 1.488 59.830 58.200 0.235 0.000 1.050 17 S CB -0.590 62.758 63.200 0.247 0.000 0.901 17 S HN 0.727 nan 8.310 nan 0.000 0.447 18 Y N 1.363 121.677 120.300 0.023 0.000 2.256 18 Y HA -0.086 4.464 4.550 -0.001 0.000 0.288 18 Y C 1.883 177.450 175.900 -0.555 0.000 1.155 18 Y CA 1.016 59.066 58.100 -0.084 0.000 1.203 18 Y CB -0.509 37.965 38.460 0.023 0.000 0.980 18 Y HN 0.113 nan 8.280 nan 0.000 0.530 19 K N 0.833 120.862 120.400 -0.618 0.000 2.280 19 K HA -0.076 4.242 4.320 -0.004 0.000 0.202 19 K C 1.845 178.151 176.600 -0.490 0.000 1.047 19 K CA 1.169 56.876 56.287 -0.968 0.000 0.942 19 K CB -0.125 32.041 32.500 -0.556 0.000 0.739 19 K HN 0.262 nan 8.250 nan 0.000 0.457 20 V N 1.360 121.057 119.914 -0.362 0.000 2.594 20 V HA -0.213 3.905 4.120 -0.004 0.000 0.253 20 V C 2.309 178.428 176.094 0.043 0.000 1.069 20 V CA 2.243 64.486 62.300 -0.095 0.000 1.082 20 V CB -0.734 30.931 31.823 -0.264 0.000 0.680 20 V HN 0.545 nan 8.190 nan 0.000 0.469 21 T N -4.025 110.440 114.554 -0.148 0.000 3.060 21 T HA 0.014 4.362 4.350 -0.004 0.000 0.249 21 T C 1.428 176.125 174.700 -0.004 0.000 1.079 21 T CA 0.405 62.433 62.100 -0.120 0.000 1.013 21 T CB -0.487 68.257 68.868 -0.207 0.000 0.975 21 T HN 0.612 nan 8.240 nan 0.000 0.518 22 H N 0.202 119.291 119.070 0.032 0.000 2.462 22 H HA 0.018 4.571 4.556 -0.005 0.000 0.292 22 H C 1.909 177.319 175.328 0.136 0.000 1.049 22 H CA 1.373 57.409 56.048 -0.021 0.000 1.334 22 H CB -0.189 29.571 29.762 -0.004 0.000 1.404 22 H HN 0.716 nan 8.280 nan 0.000 0.544 23 Y N 0.977 121.453 120.300 0.295 0.000 2.483 23 Y HA -0.040 4.508 4.550 -0.004 0.000 0.291 23 Y C 1.455 177.531 175.900 0.294 0.000 1.143 23 Y CA 0.450 58.752 58.100 0.337 0.000 1.289 23 Y CB -0.111 38.307 38.460 -0.069 0.000 0.983 23 Y HN -0.085 nan 8.280 nan 0.000 0.556 24 K N 0.523 120.600 120.400 -0.539 0.000 2.444 24 K HA 0.060 4.377 4.320 -0.004 0.000 0.193 24 K C 0.955 177.455 176.600 -0.166 0.000 1.024 24 K CA 0.458 56.486 56.287 -0.431 0.000 1.077 24 K CB 0.151 32.295 32.500 -0.592 0.000 0.833 24 K HN 0.617 nan 8.250 nan 0.000 0.517 25 Q N -0.793 118.943 119.800 -0.107 0.000 2.316 25 Q HA 0.120 4.458 4.340 -0.004 0.000 0.235 25 Q C -0.095 175.810 176.000 -0.158 0.000 0.863 25 Q CA -0.093 55.611 55.803 -0.165 0.000 0.939 25 Q CB 0.369 28.949 28.738 -0.263 0.000 1.108 25 Q HN 0.201 nan 8.270 nan 0.000 0.522 26 Y N 2.150 122.476 120.300 0.044 0.000 2.357 26 Y HA 0.093 4.641 4.550 -0.003 0.000 0.340 26 Y C -1.761 174.110 175.900 -0.050 0.000 1.260 26 Y CA -1.993 56.123 58.100 0.027 0.000 1.425 26 Y CB -0.052 38.487 38.460 0.131 0.000 1.326 26 Y HN 0.004 nan 8.280 nan 0.000 0.580 27 P HA 0.047 nan 4.420 nan 0.000 0.266 27 P C -2.543 174.723 177.300 -0.056 0.000 1.195 27 P CA -0.917 62.185 63.100 0.004 0.000 0.768 27 P CB -0.029 31.665 31.700 -0.010 0.000 0.838 28 P HA -0.053 nan 4.420 nan 0.000 0.266 28 P C -0.006 177.221 177.300 -0.121 0.000 1.193 28 P CA 0.533 63.581 63.100 -0.088 0.000 0.770 28 P CB 0.063 31.730 31.700 -0.055 0.000 0.836 29 N N -1.624 116.985 118.700 -0.151 0.000 2.747 29 N HA -0.130 4.607 4.740 -0.004 0.000 0.249 29 N C -0.738 174.660 175.510 -0.186 0.000 1.107 29 N CA 1.067 54.031 53.050 -0.145 0.000 0.707 29 N CB -2.257 36.177 38.487 -0.088 0.000 1.054 29 N HN 0.376 nan 8.380 nan 0.000 0.555 30 T N 0.121 114.486 114.554 -0.315 0.000 2.749 30 T HA 0.335 4.683 4.350 -0.004 0.000 0.295 30 T C 1.418 175.932 174.700 -0.310 0.000 0.936 30 T CA 0.090 61.998 62.100 -0.320 0.000 1.060 30 T CB 1.121 69.762 68.868 -0.379 0.000 0.904 30 T HN 0.325 nan 8.240 nan 0.000 0.500 31 S N 2.007 117.625 115.700 -0.137 0.000 2.505 31 S HA 0.278 4.746 4.470 -0.004 0.000 0.216 31 S C 0.406 175.016 174.600 0.017 0.000 1.018 31 S CA -0.422 57.757 58.200 -0.035 0.000 0.911 31 S CB 0.163 63.348 63.200 -0.025 0.000 0.818 31 S HN 0.491 nan 8.310 nan 0.000 0.497 32 K N 0.900 121.292 120.400 -0.013 0.000 2.535 32 K HA 0.628 4.946 4.320 -0.004 0.000 0.251 32 K C -2.051 174.549 176.600 0.001 0.000 0.942 32 K CA -0.462 55.839 56.287 0.024 0.000 0.798 32 K CB 2.231 34.757 32.500 0.043 0.000 1.267 32 K HN -0.001 nan 8.250 nan 0.000 0.434 33 V N 5.156 125.095 119.914 0.042 0.000 2.487 33 V HA 0.465 4.583 4.120 -0.004 0.000 0.298 33 V C -1.472 174.737 176.094 0.191 0.000 1.028 33 V CA -0.764 61.571 62.300 0.058 0.000 0.860 33 V CB 1.408 33.198 31.823 -0.055 0.000 0.991 33 V HN 0.774 nan 8.190 nan 0.000 0.427 34 Y N 3.716 124.087 120.300 0.119 0.000 2.361 34 Y HA 0.741 5.289 4.550 -0.004 0.000 0.337 34 Y C -0.059 175.919 175.900 0.129 0.000 0.965 34 Y CA -0.024 58.172 58.100 0.159 0.000 1.091 34 Y CB 1.951 40.571 38.460 0.266 0.000 1.182 34 Y HN 0.640 nan 8.280 nan 0.000 0.450 35 S N 4.927 120.485 115.700 -0.237 0.000 2.627 35 S HA 0.633 5.101 4.470 -0.004 0.000 0.283 35 S C -1.839 172.432 174.600 -0.549 0.000 1.127 35 S CA -0.727 57.275 58.200 -0.330 0.000 0.863 35 S CB 1.828 64.756 63.200 -0.453 0.000 1.121 35 S HN 0.698 nan 8.310 nan 0.000 0.479 36 Y N -0.512 119.316 120.300 -0.786 0.000 2.597 36 Y HA 0.806 5.354 4.550 -0.003 0.000 0.340 36 Y C -1.823 173.708 175.900 -0.615 0.000 1.097 36 Y CA -1.508 56.222 58.100 -0.617 0.000 1.037 36 Y CB 0.861 39.121 38.460 -0.334 0.000 1.305 36 Y HN 0.586 nan 8.280 nan 0.000 0.463 37 F N 3.120 122.570 119.950 -0.833 0.000 2.469 37 F HA 0.642 5.167 4.527 -0.004 0.000 0.332 37 F C -0.752 174.831 175.800 -0.362 0.000 1.103 37 F CA -0.298 57.265 58.000 -0.728 0.000 0.979 37 F CB 1.334 39.579 39.000 -1.259 0.000 1.137 37 F HN 0.782 nan 8.300 nan 0.000 0.463 38 E N 3.336 123.148 120.200 -0.647 0.000 2.429 38 E HA 0.446 4.794 4.350 -0.004 0.000 0.276 38 E C -1.767 174.545 176.600 -0.480 0.000 0.953 38 E CA -1.179 55.044 56.400 -0.295 0.000 0.787 38 E CB 1.407 31.109 29.700 0.005 0.000 1.307 38 E HN 0.491 nan 8.360 nan 0.000 0.458 39 C N 2.168 121.378 119.300 -0.151 0.000 2.145 39 C HA 0.363 4.820 4.460 -0.004 0.000 0.374 39 C C 0.579 175.540 174.990 -0.049 0.000 1.035 39 C CA -0.476 58.494 59.018 -0.079 0.000 1.431 39 C CB -1.782 26.000 27.740 0.070 0.000 1.789 39 C HN 0.601 nan 8.230 nan 0.000 0.483 40 R N 2.023 122.472 120.500 -0.086 0.000 2.698 40 R HA 0.077 4.414 4.340 -0.004 0.000 0.266 40 R C 0.663 176.958 176.300 -0.007 0.000 1.026 40 R CA 0.356 56.432 56.100 -0.040 0.000 1.102 40 R CB 0.565 30.830 30.300 -0.059 0.000 0.978 40 R HN 0.697 nan 8.270 nan 0.000 0.436 55 E N 1.226 121.497 120.200 0.117 0.000 2.371 55 E HA -0.039 4.309 4.350 -0.004 0.000 0.194 55 E C 0.327 176.981 176.600 0.090 0.000 1.012 55 E CA 0.685 57.139 56.400 0.090 0.000 0.860 55 E CB 0.565 30.297 29.700 0.053 0.000 0.811 55 E HN 0.694 nan 8.360 nan 0.000 0.502 56 E N 0.559 120.821 120.200 0.104 0.000 2.340 56 E HA 0.355 4.703 4.350 -0.004 0.000 0.273 56 E C -0.763 175.903 176.600 0.111 0.000 0.891 56 E CA -0.890 55.559 56.400 0.082 0.000 0.757 56 E CB 1.817 31.552 29.700 0.057 0.000 1.231 56 E HN -0.100 nan 8.360 nan 0.000 0.439 57 T N -1.192 113.422 114.554 0.099 0.000 2.863 57 T HA 0.459 4.807 4.350 -0.004 0.000 0.285 57 T C -0.253 174.527 174.700 0.135 0.000 1.009 57 T CA -0.809 61.373 62.100 0.137 0.000 0.989 57 T CB 1.420 70.393 68.868 0.175 0.000 1.004 57 T HN 0.286 nan 8.240 nan 0.000 0.455 58 V N 3.791 123.783 119.914 0.130 0.000 2.427 58 V HA 0.294 4.412 4.120 -0.004 0.000 0.268 58 V C -0.128 176.092 176.094 0.210 0.000 1.046 58 V CA -0.666 61.708 62.300 0.124 0.000 0.970 58 V CB -0.143 31.704 31.823 0.040 0.000 1.001 58 V HN 0.859 nan 8.190 nan 0.000 0.476 59 F N 7.881 127.895 119.950 0.107 0.000 2.438 59 F HA 0.499 5.024 4.527 -0.004 0.000 0.360 59 F C -0.576 175.311 175.800 0.146 0.000 1.118 59 F CA -0.509 57.567 58.000 0.126 0.000 1.164 59 F CB 0.044 39.111 39.000 0.111 0.000 1.131 59 F HN 0.525 nan 8.300 nan 0.000 0.527 60 Y N 4.380 124.300 120.300 -0.633 0.000 2.442 60 Y HA 0.530 5.077 4.550 -0.004 0.000 0.330 60 Y C 0.043 175.645 175.900 -0.497 0.000 1.100 60 Y CA -0.717 57.082 58.100 -0.501 0.000 1.034 60 Y CB 1.916 40.200 38.460 -0.294 0.000 1.285 60 Y HN 0.694 nan 8.280 nan 0.000 0.440 61 G N 3.651 111.738 108.800 -1.188 0.000 2.296 61 G HA2 -0.249 3.708 3.960 -0.004 0.000 0.188 61 G HA3 -0.249 3.708 3.960 -0.004 0.000 0.188 61 G C 0.425 175.057 174.900 -0.446 0.000 1.000 61 G CA 0.132 44.667 45.100 -0.941 0.000 0.672 61 G HN 0.925 nan 8.290 nan 0.000 0.483 62 L N 1.362 122.294 121.223 -0.484 0.000 2.046 62 L HA 0.145 4.483 4.340 -0.004 0.000 0.208 62 L C 2.622 179.375 176.870 -0.195 0.000 1.077 62 L CA 3.268 57.901 54.840 -0.344 0.000 0.747 62 L CB -0.558 41.306 42.059 -0.325 0.000 0.896 62 L HN 0.493 nan 8.230 nan 0.000 0.432 63 Q N -1.829 117.915 119.800 -0.092 0.000 2.135 63 Q HA -0.310 4.028 4.340 -0.004 0.000 0.204 63 Q C 2.261 178.132 176.000 -0.216 0.000 0.981 63 Q CA 2.180 57.926 55.803 -0.095 0.000 0.856 63 Q CB -0.475 28.233 28.738 -0.049 0.000 0.902 63 Q HN 0.676 nan 8.270 nan 0.000 0.425 64 Y N 0.654 120.726 120.300 -0.379 0.000 2.128 64 Y HA -0.254 4.294 4.550 -0.004 0.000 0.284 64 Y C 1.715 177.300 175.900 -0.524 0.000 1.154 64 Y CA 1.993 59.743 58.100 -0.583 0.000 1.149 64 Y CB -0.211 37.953 38.460 -0.493 0.000 0.976 64 Y HN 0.132 nan 8.280 nan 0.000 0.505 65 I N -0.354 120.011 120.570 -0.341 0.000 2.252 65 I HA -0.321 3.847 4.170 -0.004 0.000 0.245 65 I C 2.373 178.318 176.117 -0.287 0.000 1.102 65 I CA 1.177 62.298 61.300 -0.298 0.000 1.385 65 I CB -0.467 37.456 38.000 -0.128 0.000 1.064 65 I HN 0.267 nan 8.210 nan 0.000 0.414 66 L N 0.446 121.527 121.223 -0.237 0.000 2.012 66 L HA -0.256 4.081 4.340 -0.004 0.000 0.210 66 L C 2.353 179.163 176.870 -0.100 0.000 1.073 66 L CA 1.572 56.323 54.840 -0.147 0.000 0.748 66 L CB -0.792 41.247 42.059 -0.033 0.000 0.891 66 L HN 0.379 nan 8.230 nan 0.000 0.431 67 N N -0.051 118.550 118.700 -0.164 0.000 2.171 67 N HA -0.177 4.560 4.740 -0.004 0.000 0.184 67 N C 1.855 177.236 175.510 -0.215 0.000 1.021 67 N CA 1.106 54.094 53.050 -0.103 0.000 0.854 67 N CB 0.023 38.529 38.487 0.032 0.000 0.994 67 N HN 0.326 nan 8.380 nan 0.000 0.426 68 K N -0.193 119.869 120.400 -0.564 0.000 2.116 68 K HA -0.050 4.268 4.320 -0.004 0.000 0.203 68 K C 1.021 177.096 176.600 -0.875 0.000 1.052 68 K CA 1.020 56.800 56.287 -0.846 0.000 0.952 68 K CB 0.164 31.683 32.500 -1.635 0.000 0.729 68 K HN 0.211 nan 8.250 nan 0.000 0.446 69 Y N -1.120 118.927 120.300 -0.422 0.000 2.526 69 Y HA 0.178 4.726 4.550 -0.003 0.000 0.265 69 Y C 1.572 177.400 175.900 -0.121 0.000 1.092 69 Y CA -0.339 57.517 58.100 -0.407 0.000 1.277 69 Y CB 0.701 38.845 38.460 -0.527 0.000 1.228 69 Y HN -0.118 nan 8.280 nan 0.000 0.507 70 L N 0.349 121.586 121.223 0.023 0.000 2.537 70 L HA 0.121 4.459 4.340 -0.004 0.000 0.224 70 L C 0.615 177.619 176.870 0.224 0.000 1.065 70 L CA 0.077 54.940 54.840 0.039 0.000 0.860 70 L CB 0.147 42.038 42.059 -0.280 0.000 1.086 70 L HN -0.011 nan 8.230 nan 0.000 0.482 71 K N 0.772 121.313 120.400 0.235 0.000 2.126 71 K HA 0.560 4.878 4.320 -0.004 0.000 0.257 71 K C 0.442 177.052 176.600 0.018 0.000 1.007 71 K CA 0.255 56.694 56.287 0.253 0.000 0.928 71 K CB 1.188 33.788 32.500 0.166 0.000 1.013 71 K HN 0.039 nan 8.250 nan 0.000 0.473 72 G N 1.087 109.801 108.800 -0.143 0.000 2.615 72 G HA2 -0.289 3.669 3.960 -0.004 0.000 0.218 72 G HA3 -0.289 3.669 3.960 -0.004 0.000 0.218 72 G C -1.176 173.296 174.900 -0.714 0.000 1.339 72 G CA -0.020 44.844 45.100 -0.392 0.000 0.884 72 G HN 0.875 nan 8.290 nan 0.000 0.559 73 K N 0.275 120.393 120.400 -0.470 0.000 2.262 73 K HA 0.476 4.794 4.320 -0.004 0.000 0.288 73 K C 1.372 177.937 176.600 -0.058 0.000 1.090 73 K CA 0.200 56.344 56.287 -0.238 0.000 0.918 73 K CB 0.423 32.921 32.500 -0.004 0.000 1.139 73 K HN 1.315 nan 8.250 nan 0.000 0.462 74 V N 1.465 121.380 119.914 0.002 0.000 3.578 74 V HA 0.228 4.345 4.120 -0.004 0.000 0.290 74 V C -0.052 176.092 176.094 0.084 0.000 1.376 74 V CA -0.353 61.996 62.300 0.082 0.000 1.083 74 V CB 0.550 32.461 31.823 0.147 0.000 0.911 74 V HN 0.259 nan 8.190 nan 0.000 0.433 75 V N 1.912 121.887 119.914 0.102 0.000 2.540 75 V HA 0.773 4.891 4.120 -0.004 0.000 0.302 75 V C 0.109 176.254 176.094 0.084 0.000 1.035 75 V CA 0.438 62.798 62.300 0.100 0.000 0.873 75 V CB 1.520 33.492 31.823 0.247 0.000 0.992 75 V HN 0.634 nan 8.190 nan 0.000 0.428 76 T N 0.428 115.009 114.554 0.045 0.000 2.887 76 T HA 0.492 4.840 4.350 -0.004 0.000 0.292 76 T C 0.625 175.348 174.700 0.039 0.000 1.087 76 T CA -0.653 61.473 62.100 0.044 0.000 1.009 76 T CB 2.201 71.083 68.868 0.023 0.000 1.203 76 T HN 0.430 nan 8.240 nan 0.000 0.518 77 K N 0.598 121.022 120.400 0.040 0.000 2.113 77 K HA -0.151 4.167 4.320 -0.004 0.000 0.208 77 K C 1.765 178.376 176.600 0.017 0.000 1.047 77 K CA 2.063 58.373 56.287 0.038 0.000 0.928 77 K CB -0.480 32.040 32.500 0.033 0.000 0.716 77 K HN 0.688 nan 8.250 nan 0.000 0.446 78 E N 0.356 120.557 120.200 0.001 0.000 2.072 78 E HA -0.080 4.267 4.350 -0.004 0.000 0.191 78 E C 1.823 178.393 176.600 -0.050 0.000 0.985 78 E CA 1.403 57.791 56.400 -0.021 0.000 0.801 78 E CB -0.015 29.673 29.700 -0.021 0.000 0.750 78 E HN 0.295 nan 8.360 nan 0.000 0.452 79 K N 0.271 120.635 120.400 -0.059 0.000 2.097 79 K HA -0.077 4.241 4.320 -0.004 0.000 0.206 79 K C 2.120 178.640 176.600 -0.134 0.000 1.049 79 K CA 1.090 57.307 56.287 -0.116 0.000 0.933 79 K CB -0.189 32.235 32.500 -0.127 0.000 0.717 79 K HN 0.133 nan 8.250 nan 0.000 0.442 80 I N 0.881 121.419 120.570 -0.053 0.000 2.179 80 I HA -0.297 3.870 4.170 -0.004 0.000 0.242 80 I C 2.680 178.798 176.117 0.002 0.000 1.088 80 I CA 1.179 62.498 61.300 0.031 0.000 1.357 80 I CB -0.232 37.857 38.000 0.148 0.000 1.051 80 I HN 0.168 nan 8.210 nan 0.000 0.409 81 Q N 1.253 121.049 119.800 -0.007 0.000 2.084 81 Q HA -0.259 4.079 4.340 -0.004 0.000 0.202 81 Q C 2.007 177.946 176.000 -0.102 0.000 0.978 81 Q CA 1.879 57.669 55.803 -0.021 0.000 0.844 81 Q CB -0.229 28.503 28.738 -0.010 0.000 0.898 81 Q HN 0.473 nan 8.270 nan 0.000 0.426 82 E N -0.869 119.247 120.200 -0.139 0.000 2.038 82 E HA -0.237 4.110 4.350 -0.004 0.000 0.195 82 E C 1.763 178.176 176.600 -0.313 0.000 1.000 82 E CA 1.232 57.517 56.400 -0.193 0.000 0.803 82 E CB -0.281 29.307 29.700 -0.186 0.000 0.750 82 E HN 0.443 nan 8.360 nan 0.000 0.448 83 A N 1.544 124.117 122.820 -0.412 0.000 1.902 83 A HA -0.231 4.086 4.320 -0.004 0.000 0.217 83 A C 2.142 179.254 177.584 -0.786 0.000 1.181 83 A CA 1.855 53.476 52.037 -0.693 0.000 0.623 83 A CB -0.576 18.004 19.000 -0.700 0.000 0.818 83 A HN 0.263 nan 8.150 nan 0.000 0.443 84 K N -0.505 119.517 120.400 -0.631 0.000 2.044 84 K HA -0.243 4.074 4.320 -0.004 0.000 0.210 84 K C 1.331 177.867 176.600 -0.107 0.000 1.049 84 K CA 1.979 58.108 56.287 -0.263 0.000 0.927 84 K CB -0.249 32.297 32.500 0.077 0.000 0.713 84 K HN 0.409 nan 8.250 nan 0.000 0.443 85 D N 0.039 120.358 120.400 -0.135 0.000 2.144 85 D HA -0.112 4.526 4.640 -0.004 0.000 0.200 85 D C 1.993 178.226 176.300 -0.111 0.000 0.978 85 D CA 0.838 54.789 54.000 -0.082 0.000 0.833 85 D CB -0.145 40.605 40.800 -0.084 0.000 0.961 85 D HN 0.050 nan 8.370 nan 0.000 0.470 86 V N 0.424 120.189 119.914 -0.248 0.000 2.270 86 V HA -0.246 3.871 4.120 -0.004 0.000 0.245 86 V C 2.073 178.064 176.094 -0.172 0.000 1.043 86 V CA 1.417 63.537 62.300 -0.300 0.000 1.014 86 V CB -0.743 30.763 31.823 -0.529 0.000 0.645 86 V HN 0.249 nan 8.190 nan 0.000 0.447 87 Y N 0.207 120.499 120.300 -0.013 0.000 2.274 87 Y HA -0.257 4.290 4.550 -0.005 0.000 0.290 87 Y C 2.548 178.616 175.900 0.280 0.000 1.145 87 Y CA 1.459 59.690 58.100 0.218 0.000 1.203 87 Y CB -0.222 38.415 38.460 0.295 0.000 0.984 87 Y HN 0.166 nan 8.280 nan 0.000 0.533 88 K N 0.900 121.469 120.400 0.281 0.000 2.103 88 K HA -0.181 4.137 4.320 -0.004 0.000 0.207 88 K C 1.536 178.245 176.600 0.181 0.000 1.048 88 K CA 1.740 58.161 56.287 0.223 0.000 0.930 88 K CB -0.135 32.448 32.500 0.139 0.000 0.716 88 K HN 0.192 nan 8.250 nan 0.000 0.444 89 E N -0.991 119.285 120.200 0.128 0.000 2.122 89 E HA -0.126 4.221 4.350 -0.004 0.000 0.190 89 E C 2.024 178.686 176.600 0.104 0.000 0.977 89 E CA 0.864 57.316 56.400 0.087 0.000 0.820 89 E CB -0.472 29.248 29.700 0.034 0.000 0.770 89 E HN 0.496 nan 8.360 nan 0.000 0.462 90 H N -0.224 118.838 119.070 -0.014 0.000 2.387 90 H HA -0.052 4.501 4.556 -0.005 0.000 0.299 90 H C 1.301 176.496 175.328 -0.222 0.000 1.090 90 H CA 1.446 57.407 56.048 -0.146 0.000 1.332 90 H CB -0.196 29.446 29.762 -0.199 0.000 1.386 90 H HN 0.052 nan 8.280 nan 0.000 0.516 91 F N -0.095 119.895 119.950 0.067 0.000 2.749 91 F HA 0.119 4.644 4.527 -0.003 0.000 0.300 91 F C 0.665 176.471 175.800 0.010 0.000 1.103 91 F CA 0.023 58.014 58.000 -0.015 0.000 1.342 91 F CB 0.475 39.507 39.000 0.054 0.000 1.098 91 F HN -0.022 nan 8.300 nan 0.000 0.586 92 Q N 1.619 121.527 119.800 0.181 0.000 2.451 92 Q HA -0.256 4.082 4.340 -0.004 0.000 0.305 92 Q C -1.096 174.986 176.000 0.138 0.000 1.345 92 Q CA 1.296 57.173 55.803 0.124 0.000 0.854 92 Q CB -1.650 27.131 28.738 0.072 0.000 1.162 92 Q HN 0.575 nan 8.270 nan 0.000 0.440 93 D N -1.085 119.423 120.400 0.181 0.000 2.912 93 D HA 0.137 4.774 4.640 -0.004 0.000 0.263 93 D C -1.710 174.689 176.300 0.165 0.000 1.152 93 D CA -0.483 53.603 54.000 0.143 0.000 0.728 93 D CB 0.872 41.743 40.800 0.118 0.000 1.337 93 D HN -0.059 nan 8.370 nan 0.000 0.435 94 D N 1.819 122.291 120.400 0.121 0.000 2.411 94 D HA 0.284 4.922 4.640 -0.004 0.000 0.225 94 D C 0.475 176.833 176.300 0.097 0.000 1.156 94 D CA 0.065 54.148 54.000 0.138 0.000 0.874 94 D CB 1.518 42.390 40.800 0.121 0.000 1.034 94 D HN 0.127 nan 8.370 nan 0.000 0.502 95 V N 3.420 123.390 119.914 0.092 0.000 3.539 95 V HA 0.044 4.161 4.120 -0.004 0.000 0.262 95 V C 0.734 176.936 176.094 0.180 0.000 1.381 95 V CA -0.417 61.901 62.300 0.030 0.000 1.060 95 V CB -0.074 31.599 31.823 -0.251 0.000 0.842 95 V HN 0.373 nan 8.190 nan 0.000 0.445 96 F N 3.119 123.103 119.950 0.056 0.000 2.623 96 F HA 0.014 4.538 4.527 -0.004 0.000 0.383 96 F C 0.950 176.727 175.800 -0.038 0.000 1.077 96 F CA 0.211 58.254 58.000 0.072 0.000 1.268 96 F CB -0.113 39.017 39.000 0.218 0.000 1.053 96 F HN 0.146 nan 8.300 nan 0.000 0.571 97 N N 5.117 123.145 118.700 -1.119 0.000 3.103 97 N HA -0.054 4.683 4.740 -0.004 0.000 0.305 97 N C 1.330 176.104 175.510 -1.226 0.000 1.232 97 N CA -0.008 52.211 53.050 -1.385 0.000 1.190 97 N CB -0.057 37.209 38.487 -2.036 0.000 1.461 97 N HN 0.894 nan 8.380 nan 0.000 0.538 98 E N 1.492 121.128 120.200 -0.940 0.000 2.085 98 E HA -0.246 4.102 4.350 -0.004 0.000 0.194 98 E C 1.270 177.740 176.600 -0.217 0.000 0.994 98 E CA 1.304 57.441 56.400 -0.437 0.000 0.801 98 E CB 0.283 29.966 29.700 -0.029 0.000 0.743 98 E HN 0.474 nan 8.360 nan 0.000 0.453 99 K N -0.494 119.767 120.400 -0.231 0.000 2.057 99 K HA -0.114 4.203 4.320 -0.004 0.000 0.207 99 K C 2.197 178.727 176.600 -0.117 0.000 1.049 99 K CA 1.129 57.344 56.287 -0.119 0.000 0.931 99 K CB -0.300 32.139 32.500 -0.103 0.000 0.714 99 K HN 0.227 nan 8.250 nan 0.000 0.440 100 G N 0.203 108.792 108.800 -0.352 0.000 2.408 100 G HA2 -0.224 3.733 3.960 -0.004 0.000 0.217 100 G HA3 -0.224 3.733 3.960 -0.004 0.000 0.217 100 G C 1.084 175.922 174.900 -0.104 0.000 1.150 100 G CA 0.424 45.330 45.100 -0.325 0.000 0.776 100 G HN 0.348 nan 8.290 nan 0.000 0.542 101 W N 0.561 121.741 121.300 -0.200 0.000 2.418 101 W HA 0.101 4.758 4.660 -0.005 0.000 0.292 101 W C 2.543 179.101 176.519 0.065 0.000 1.213 101 W CA 0.607 57.945 57.345 -0.012 0.000 1.283 101 W CB -0.095 29.305 29.460 -0.101 0.000 1.119 101 W HN 0.193 nan 8.180 nan 0.000 0.542 102 N N -0.827 118.017 118.700 0.240 0.000 2.166 102 N HA -0.289 4.449 4.740 -0.004 0.000 0.186 102 N C 1.600 177.209 175.510 0.166 0.000 1.019 102 N CA 1.582 54.739 53.050 0.178 0.000 0.856 102 N CB -0.454 38.103 38.487 0.117 0.000 0.993 102 N HN 0.123 nan 8.380 nan 0.000 0.426 103 Y N 1.455 121.795 120.300 0.067 0.000 2.128 103 Y HA -0.186 4.361 4.550 -0.004 0.000 0.284 103 Y C 1.853 177.808 175.900 0.092 0.000 1.154 103 Y CA 1.527 59.660 58.100 0.055 0.000 1.149 103 Y CB -0.302 38.190 38.460 0.053 0.000 0.976 103 Y HN 0.062 nan 8.280 nan 0.000 0.505 104 I N -0.482 120.215 120.570 0.212 0.000 2.208 104 I HA -0.300 3.867 4.170 -0.004 0.000 0.245 104 I C 2.325 178.532 176.117 0.151 0.000 1.097 104 I CA 1.321 62.744 61.300 0.204 0.000 1.363 104 I CB -0.515 37.634 38.000 0.249 0.000 1.051 104 I HN 0.335 nan 8.210 nan 0.000 0.413 105 L N 0.884 122.202 121.223 0.160 0.000 2.046 105 L HA -0.201 4.137 4.340 -0.004 0.000 0.208 105 L C 2.333 179.219 176.870 0.027 0.000 1.077 105 L CA 1.935 56.850 54.840 0.125 0.000 0.747 105 L CB -0.577 41.563 42.059 0.134 0.000 0.896 105 L HN 0.198 nan 8.230 nan 0.000 0.432 106 E N -1.036 119.135 120.200 -0.048 0.000 2.076 106 E HA -0.160 4.188 4.350 -0.004 0.000 0.190 106 E C 1.971 178.428 176.600 -0.238 0.000 0.979 106 E CA 0.534 56.867 56.400 -0.111 0.000 0.807 106 E CB -0.055 29.590 29.700 -0.092 0.000 0.761 106 E HN 0.184 nan 8.360 nan 0.000 0.454 107 K N 0.223 120.347 120.400 -0.460 0.000 2.076 107 K HA -0.045 4.273 4.320 -0.004 0.000 0.204 107 K C 0.789 176.967 176.600 -0.703 0.000 1.051 107 K CA 1.264 57.096 56.287 -0.759 0.000 0.949 107 K CB 0.134 31.799 32.500 -1.392 0.000 0.726 107 K HN 0.227 nan 8.250 nan 0.000 0.443 108 Y N 0.020 120.237 120.300 -0.139 0.000 2.682 108 Y HA 0.130 4.677 4.550 -0.004 0.000 0.251 108 Y C -0.218 175.684 175.900 0.003 0.000 1.172 108 Y CA -0.535 57.523 58.100 -0.070 0.000 1.186 108 Y CB 0.706 39.152 38.460 -0.023 0.000 1.216 108 Y HN 0.081 nan 8.280 nan 0.000 0.540 109 D N 1.176 121.637 120.400 0.101 0.000 2.708 109 D HA -0.205 4.432 4.640 -0.004 0.000 0.236 109 D C 1.257 177.742 176.300 0.309 0.000 1.146 109 D CA 1.543 55.634 54.000 0.150 0.000 0.662 109 D CB -1.132 39.725 40.800 0.096 0.000 1.059 109 D HN 0.744 nan 8.370 nan 0.000 0.428 110 G N -0.441 108.522 108.800 0.273 0.000 2.153 110 G HA2 -0.348 3.609 3.960 -0.004 0.000 0.252 110 G HA3 -0.348 3.609 3.960 -0.004 0.000 0.252 110 G C 0.088 175.137 174.900 0.249 0.000 0.994 110 G CA 0.491 45.744 45.100 0.256 0.000 0.698 110 G HN 0.700 nan 8.290 nan 0.000 0.521 111 H N -0.605 118.555 119.070 0.151 0.000 2.502 111 H HA 0.567 5.120 4.556 -0.004 0.000 0.327 111 H C 1.005 176.377 175.328 0.073 0.000 1.099 111 H CA -0.543 55.570 56.048 0.108 0.000 1.323 111 H CB 0.853 30.645 29.762 0.050 0.000 1.450 111 H HN 0.231 nan 8.280 nan 0.000 0.502 112 L N 5.829 127.168 121.223 0.194 0.000 2.361 112 L HA 0.196 4.534 4.340 -0.004 0.000 0.278 112 L C -1.823 175.045 176.870 -0.003 0.000 1.113 112 L CA -1.798 53.114 54.840 0.120 0.000 0.849 112 L CB 0.527 42.715 42.059 0.214 0.000 1.155 112 L HN 0.490 nan 8.230 nan 0.000 0.452 113 P HA 0.217 nan 4.420 nan 0.000 0.244 113 P C -0.687 176.532 177.300 -0.135 0.000 1.769 113 P CA 0.158 63.056 63.100 -0.337 0.000 1.102 113 P CB 0.131 31.485 31.700 -0.576 0.000 1.937 114 I N 1.194 121.784 120.570 0.033 0.000 2.686 114 I HA 0.374 4.541 4.170 -0.004 0.000 0.295 114 I C 0.093 176.349 176.117 0.231 0.000 1.114 114 I CA -0.905 60.469 61.300 0.123 0.000 1.038 114 I CB 3.065 41.157 38.000 0.154 0.000 1.238 114 I HN 0.160 nan 8.210 nan 0.000 0.420 115 E N 5.921 126.228 120.200 0.178 0.000 2.199 115 E HA 0.620 4.968 4.350 -0.004 0.000 0.265 115 E C -1.538 175.181 176.600 0.197 0.000 0.882 115 E CA -0.509 56.011 56.400 0.199 0.000 0.759 115 E CB 1.865 31.642 29.700 0.128 0.000 1.148 115 E HN 0.450 nan 8.360 nan 0.000 0.412 116 I N 4.209 124.922 120.570 0.239 0.000 2.406 116 I HA 0.360 4.528 4.170 -0.004 0.000 0.290 116 I C -0.346 175.876 176.117 0.176 0.000 0.999 116 I CA -0.809 60.601 61.300 0.185 0.000 1.124 116 I CB 1.735 39.809 38.000 0.122 0.000 1.289 116 I HN 0.308 nan 8.210 nan 0.000 0.441 117 K N 4.896 125.392 120.400 0.160 0.000 2.207 117 K HA 0.894 5.212 4.320 -0.004 0.000 0.255 117 K C -0.915 175.775 176.600 0.150 0.000 0.941 117 K CA -0.642 55.729 56.287 0.140 0.000 0.825 117 K CB 2.605 35.165 32.500 0.101 0.000 1.119 117 K HN 0.705 nan 8.250 nan 0.000 0.430 118 A N 1.420 124.313 122.820 0.121 0.000 2.572 118 A HA 0.422 4.739 4.320 -0.004 0.000 0.295 118 A C -1.225 176.331 177.584 -0.047 0.000 1.072 118 A CA -0.711 51.360 52.037 0.058 0.000 0.691 118 A CB 1.507 20.600 19.000 0.155 0.000 1.291 118 A HN 0.467 nan 8.150 nan 0.000 0.404 119 V N 1.905 121.652 119.914 -0.278 0.000 2.843 119 V HA 0.332 4.449 4.120 -0.004 0.000 0.305 119 V C -2.169 173.759 176.094 -0.277 0.000 1.065 119 V CA -1.327 60.771 62.300 -0.336 0.000 1.116 119 V CB 0.983 32.575 31.823 -0.386 0.000 0.968 119 V HN 0.772 nan 8.190 nan 0.000 0.487 120 P HA 0.079 nan 4.420 nan 0.000 0.265 120 P C -0.550 176.481 177.300 -0.447 0.000 1.193 120 P CA 0.161 62.806 63.100 -0.759 0.000 0.765 120 P CB 0.275 31.331 31.700 -1.072 0.000 0.823 121 E N 1.657 121.562 120.200 -0.491 0.000 2.413 121 E HA 0.170 4.517 4.350 -0.004 0.000 0.263 121 E C 1.322 177.910 176.600 -0.019 0.000 1.015 121 E CA 0.966 57.341 56.400 -0.042 0.000 0.916 121 E CB 0.013 29.744 29.700 0.051 0.000 0.947 121 E HN 0.782 nan 8.360 nan 0.000 0.440 122 G N 2.676 111.535 108.800 0.098 0.000 2.268 122 G HA2 -0.294 3.664 3.960 -0.004 0.000 0.240 122 G HA3 -0.294 3.664 3.960 -0.004 0.000 0.240 122 G C 0.099 175.111 174.900 0.187 0.000 1.010 122 G CA -0.251 44.880 45.100 0.051 0.000 0.618 122 G HN 0.439 nan 8.290 nan 0.000 0.516 123 F N 1.128 121.083 119.950 0.008 0.000 2.629 123 F HA 0.405 4.929 4.527 -0.004 0.000 0.377 123 F C 1.071 176.882 175.800 0.018 0.000 1.101 123 F CA -0.199 57.813 58.000 0.020 0.000 1.301 123 F CB 1.050 40.059 39.000 0.014 0.000 1.062 123 F HN 0.016 nan 8.300 nan 0.000 0.583 124 V N 6.311 126.239 119.914 0.023 0.000 2.328 124 V HA 0.344 4.462 4.120 -0.004 0.000 0.278 124 V C -0.002 176.028 176.094 -0.106 0.000 1.021 124 V CA -0.563 61.735 62.300 -0.004 0.000 0.838 124 V CB 0.943 32.754 31.823 -0.021 0.000 0.999 124 V HN 0.337 nan 8.190 nan 0.000 0.447 125 I N 6.603 127.089 120.570 -0.140 0.000 2.545 125 I HA 0.502 4.670 4.170 -0.004 0.000 0.292 125 I C -2.555 173.465 176.117 -0.162 0.000 1.040 125 I CA -2.716 58.349 61.300 -0.393 0.000 1.068 125 I CB 2.190 39.974 38.000 -0.361 0.000 1.251 125 I HN 0.337 nan 8.210 nan 0.000 0.424 126 P HA 0.147 nan 4.420 nan 0.000 0.269 126 P C -0.082 177.223 177.300 0.008 0.000 1.215 126 P CA -0.407 62.697 63.100 0.006 0.000 0.780 126 P CB 0.457 32.200 31.700 0.072 0.000 0.898 127 R N 1.489 122.014 120.500 0.042 0.000 2.758 127 R HA 0.194 4.531 4.340 -0.004 0.000 0.263 127 R C 1.415 177.734 176.300 0.031 0.000 1.010 127 R CA 1.238 57.364 56.100 0.044 0.000 1.114 127 R CB -1.049 29.285 30.300 0.057 0.000 0.985 127 R HN 0.926 nan 8.270 nan 0.000 0.439 128 G N 1.407 110.221 108.800 0.024 0.000 2.136 128 G HA2 -0.244 3.714 3.960 -0.004 0.000 0.242 128 G HA3 -0.244 3.714 3.960 -0.004 0.000 0.242 128 G C -0.052 174.859 174.900 0.019 0.000 0.989 128 G CA -0.104 45.010 45.100 0.023 0.000 0.682 128 G HN 0.592 nan 8.290 nan 0.000 0.522 129 N N -0.522 118.185 118.700 0.012 0.000 2.417 129 N HA 0.462 5.200 4.740 -0.004 0.000 0.300 129 N C 0.148 175.663 175.510 0.009 0.000 1.102 129 N CA -0.367 52.681 53.050 -0.004 0.000 0.886 129 N CB 2.366 40.832 38.487 -0.034 0.000 1.203 129 N HN 0.183 nan 8.380 nan 0.000 0.496 130 V N 2.949 122.855 119.914 -0.014 0.000 2.540 130 V HA 0.014 4.132 4.120 -0.004 0.000 0.297 130 V C 1.044 177.119 176.094 -0.031 0.000 1.024 130 V CA 0.682 62.990 62.300 0.012 0.000 1.105 130 V CB -0.239 31.547 31.823 -0.062 0.000 0.938 130 V HN 0.549 nan 8.190 nan 0.000 0.482 131 L N 6.744 127.958 121.223 -0.016 0.000 2.467 131 L HA 0.404 4.741 4.340 -0.004 0.000 0.213 131 L C 0.200 176.981 176.870 -0.148 0.000 1.053 131 L CA 0.290 55.028 54.840 -0.170 0.000 0.847 131 L CB 0.039 42.078 42.059 -0.034 0.000 1.075 131 L HN 0.752 nan 8.230 nan 0.000 0.479 132 F N -1.599 118.335 119.950 -0.027 0.000 2.668 132 F HA 0.671 5.196 4.527 -0.004 0.000 0.309 132 F C -0.643 175.183 175.800 0.044 0.000 1.117 132 F CA -1.013 56.979 58.000 -0.013 0.000 0.951 132 F CB 1.154 40.168 39.000 0.024 0.000 1.323 132 F HN -0.195 nan 8.300 nan 0.000 0.451 133 T N -0.508 114.170 114.554 0.206 0.000 2.916 133 T HA 0.860 5.208 4.350 -0.004 0.000 0.292 133 T C -1.546 173.181 174.700 0.046 0.000 1.055 133 T CA -0.882 61.184 62.100 -0.055 0.000 1.009 133 T CB 1.746 70.455 68.868 -0.264 0.000 1.118 133 T HN 0.853 nan 8.240 nan 0.000 0.497 134 V N 2.031 121.883 119.914 -0.104 0.000 2.760 134 V HA 0.749 4.867 4.120 -0.004 0.000 0.309 134 V C -0.689 175.391 176.094 -0.023 0.000 1.077 134 V CA -0.816 61.525 62.300 0.068 0.000 0.910 134 V CB 1.597 33.600 31.823 0.301 0.000 1.008 134 V HN 1.198 nan 8.190 nan 0.000 0.424 135 E N 2.590 122.830 120.200 0.068 0.000 2.412 135 E HA 0.436 4.784 4.350 -0.004 0.000 0.279 135 E C -1.283 175.363 176.600 0.078 0.000 0.984 135 E CA -1.086 55.381 56.400 0.112 0.000 0.788 135 E CB 2.229 32.074 29.700 0.242 0.000 1.277 135 E HN 0.765 nan 8.360 nan 0.000 0.455 136 N N -0.628 118.097 118.700 0.040 0.000 2.530 136 N HA 0.177 4.915 4.740 -0.004 0.000 0.277 136 N C 0.503 176.017 175.510 0.007 0.000 1.168 136 N CA -0.187 52.843 53.050 -0.032 0.000 0.979 136 N CB 1.464 39.877 38.487 -0.123 0.000 1.141 136 N HN 0.607 nan 8.380 nan 0.000 0.459 137 T N -3.637 110.902 114.554 -0.025 0.000 3.069 137 T HA 0.081 4.429 4.350 -0.004 0.000 0.252 137 T C -0.148 174.561 174.700 0.015 0.000 1.053 137 T CA -0.120 61.978 62.100 -0.002 0.000 0.964 137 T CB -0.073 68.777 68.868 -0.030 0.000 1.005 137 T HN 0.595 nan 8.240 nan 0.000 0.532 138 D N 1.347 121.754 120.400 0.011 0.000 2.502 138 D HA 0.367 5.004 4.640 -0.004 0.000 0.249 138 D C -2.184 174.147 176.300 0.052 0.000 1.092 138 D CA -2.388 51.671 54.000 0.097 0.000 0.839 138 D CB 2.707 43.657 40.800 0.249 0.000 1.264 138 D HN -0.188 nan 8.370 nan 0.000 0.511 139 P HA -0.116 nan 4.420 nan 0.000 0.218 139 P C 0.862 178.214 177.300 0.087 0.000 1.148 139 P CA 0.985 64.121 63.100 0.059 0.000 0.822 139 P CB 0.391 32.116 31.700 0.041 0.000 0.784 140 E N -1.271 118.937 120.200 0.013 0.000 2.333 140 E HA -0.110 4.238 4.350 -0.004 0.000 0.198 140 E C 0.716 177.299 176.600 -0.027 0.000 1.007 140 E CA 0.863 57.235 56.400 -0.046 0.000 0.845 140 E CB -0.586 28.824 29.700 -0.482 0.000 0.766 140 E HN 0.304 nan 8.360 nan 0.000 0.507 141 C N 1.582 120.775 119.300 -0.178 0.000 2.470 141 C HA 0.144 4.602 4.460 -0.004 0.000 0.311 141 C C 1.786 176.306 174.990 -0.783 0.000 1.387 141 C CA -1.053 57.549 59.018 -0.693 0.000 1.783 141 C CB -2.117 25.284 27.740 -0.565 0.000 2.416 141 C HN 0.493 nan 8.230 nan 0.000 0.558 142 Y N 0.053 120.149 120.300 -0.339 0.000 2.298 142 Y HA -0.207 4.340 4.550 -0.004 0.000 0.287 142 Y C 2.146 177.873 175.900 -0.289 0.000 1.164 142 Y CA 1.563 59.508 58.100 -0.259 0.000 1.229 142 Y CB -0.890 37.467 38.460 -0.173 0.000 0.977 142 Y HN 0.643 nan 8.280 nan 0.000 0.538 143 W N -0.034 120.651 121.300 -1.025 0.000 2.800 143 W HA 0.098 4.755 4.660 -0.005 0.000 0.249 143 W C 1.155 177.593 176.519 -0.134 0.000 1.294 143 W CA 0.147 57.173 57.345 -0.532 0.000 1.402 143 W CB -0.808 28.326 29.460 -0.543 0.000 1.126 143 W HN 0.257 nan 8.180 nan 0.000 0.652 144 L N 2.388 123.059 121.223 -0.921 0.000 2.179 144 L HA 0.010 4.347 4.340 -0.004 0.000 0.208 144 L C 2.360 179.154 176.870 -0.127 0.000 1.096 144 L CA 2.156 56.537 54.840 -0.764 0.000 0.779 144 L CB -1.001 40.310 42.059 -1.246 0.000 0.922 144 L HN -0.197 nan 8.230 nan 0.000 0.443 145 T N 0.393 114.897 114.554 -0.084 0.000 2.635 145 T HA -0.191 4.157 4.350 -0.004 0.000 0.267 145 T C 1.560 176.426 174.700 0.276 0.000 1.040 145 T CA 2.118 64.282 62.100 0.107 0.000 1.156 145 T CB -0.304 68.630 68.868 0.110 0.000 0.863 145 T HN 0.322 nan 8.240 nan 0.000 0.430 146 N N -0.041 118.855 118.700 0.328 0.000 2.463 146 N HA 0.036 4.774 4.740 -0.004 0.000 0.181 146 N C 1.196 176.901 175.510 0.326 0.000 1.078 146 N CA 0.041 53.321 53.050 0.383 0.000 0.902 146 N CB -0.214 38.542 38.487 0.449 0.000 0.970 146 N HN 0.481 nan 8.380 nan 0.000 0.451 147 W N 1.973 123.405 121.300 0.220 0.000 2.338 147 W HA -0.125 4.534 4.660 -0.002 0.000 0.304 147 W C 1.097 177.714 176.519 0.163 0.000 1.212 147 W CA 1.129 58.627 57.345 0.254 0.000 1.264 147 W CB -0.104 29.591 29.460 0.392 0.000 1.142 147 W HN 0.079 nan 8.180 nan 0.000 0.512 148 I N -1.151 119.649 120.570 0.383 0.000 3.812 148 I HA 0.060 4.227 4.170 -0.004 0.000 0.320 148 I C 1.831 177.905 176.117 -0.072 0.000 1.276 148 I CA 0.655 62.078 61.300 0.205 0.000 1.164 148 I CB -0.674 37.438 38.000 0.185 0.000 1.009 148 I HN -0.035 nan 8.210 nan 0.000 0.431 149 E N 2.217 122.277 120.200 -0.233 0.000 2.049 149 E HA -0.245 4.103 4.350 -0.004 0.000 0.198 149 E C 1.800 178.197 176.600 -0.337 0.000 1.007 149 E CA 2.748 58.713 56.400 -0.725 0.000 0.809 149 E CB -0.075 29.286 29.700 -0.565 0.000 0.749 149 E HN 0.573 nan 8.360 nan 0.000 0.450 150 T N 1.327 115.803 114.554 -0.130 0.000 2.684 150 T HA -0.193 4.154 4.350 -0.004 0.000 0.267 150 T C 1.953 176.650 174.700 -0.004 0.000 1.036 150 T CA 1.502 63.584 62.100 -0.030 0.000 1.148 150 T CB -0.334 68.522 68.868 -0.019 0.000 0.863 150 T HN 0.265 nan 8.240 nan 0.000 0.436 151 I N 0.280 120.838 120.570 -0.020 0.000 2.315 151 I HA -0.054 4.114 4.170 -0.004 0.000 0.248 151 I C 1.951 178.054 176.117 -0.024 0.000 1.117 151 I CA 1.111 62.395 61.300 -0.027 0.000 1.404 151 I CB -0.018 37.966 38.000 -0.026 0.000 1.071 151 I HN 0.199 nan 8.210 nan 0.000 0.419 152 L N -0.697 120.502 121.223 -0.039 0.000 2.156 152 L HA -0.121 4.216 4.340 -0.004 0.000 0.208 152 L C 2.393 179.343 176.870 0.133 0.000 1.095 152 L CA 0.492 55.330 54.840 -0.005 0.000 0.770 152 L CB -0.458 41.640 42.059 0.065 0.000 0.914 152 L HN 0.061 nan 8.230 nan 0.000 0.439 153 V N -0.291 119.726 119.914 0.171 0.000 2.594 153 V HA -0.269 3.849 4.120 -0.004 0.000 0.253 153 V C 2.303 178.686 176.094 0.480 0.000 1.069 153 V CA 1.402 63.955 62.300 0.422 0.000 1.082 153 V CB -0.501 31.529 31.823 0.345 0.000 0.680 153 V HN 0.519 nan 8.190 nan 0.000 0.469 154 Q N 0.266 120.235 119.800 0.281 0.000 2.443 154 Q HA -0.177 4.160 4.340 -0.004 0.000 0.213 154 Q C 2.322 178.303 176.000 -0.033 0.000 0.982 154 Q CA 1.476 57.385 55.803 0.177 0.000 0.894 154 Q CB -0.285 28.494 28.738 0.067 0.000 0.947 154 Q HN 0.844 nan 8.270 nan 0.000 0.480 155 S N 0.695 116.401 115.700 0.010 0.000 2.440 155 S HA -0.174 4.293 4.470 -0.004 0.000 0.238 155 S C 1.603 176.202 174.600 -0.001 0.000 1.010 155 S CA 0.744 58.876 58.200 -0.112 0.000 0.972 155 S CB -0.870 62.191 63.200 -0.231 0.000 0.774 155 S HN 0.711 nan 8.310 nan 0.000 0.501 156 W N 1.001 122.449 121.300 0.246 0.000 2.308 156 W HA -0.309 4.350 4.660 -0.002 0.000 0.301 156 W C 1.828 178.473 176.519 0.210 0.000 1.220 156 W CA 1.090 58.633 57.345 0.330 0.000 1.240 156 W CB -1.215 28.446 29.460 0.335 0.000 1.142 156 W HN 0.399 nan 8.180 nan 0.000 0.521 157 Y N 4.061 123.672 120.300 -1.149 0.000 2.109 157 Y HA -0.103 4.445 4.550 -0.004 0.000 0.285 157 Y C -0.056 175.551 175.900 -0.488 0.000 1.131 157 Y CA 2.236 59.526 58.100 -1.350 0.000 1.121 157 Y CB -1.945 35.642 38.460 -1.453 0.000 0.987 157 Y HN -0.219 nan 8.280 nan 0.000 0.495 158 P HA -0.175 nan 4.420 nan 0.000 0.218 158 P C 1.812 179.019 177.300 -0.155 0.000 1.149 158 P CA 1.936 64.820 63.100 -0.360 0.000 0.817 158 P CB -0.153 31.363 31.700 -0.306 0.000 0.785 159 I N -0.140 120.366 120.570 -0.107 0.000 2.163 159 I HA -0.224 3.943 4.170 -0.004 0.000 0.243 159 I C 2.324 178.466 176.117 0.041 0.000 1.085 159 I CA 1.930 63.252 61.300 0.037 0.000 1.347 159 I CB -1.165 36.947 38.000 0.187 0.000 1.044 159 I HN 0.003 nan 8.210 nan 0.000 0.408 160 T N 0.228 114.799 114.554 0.028 0.000 2.812 160 T HA -0.090 4.258 4.350 -0.004 0.000 0.264 160 T C 2.016 176.685 174.700 -0.051 0.000 1.042 160 T CA 1.058 63.188 62.100 0.050 0.000 1.140 160 T CB -0.248 68.772 68.868 0.253 0.000 0.870 160 T HN 0.084 nan 8.240 nan 0.000 0.445 161 V N 1.902 121.685 119.914 -0.219 0.000 2.287 161 V HA -0.195 3.923 4.120 -0.004 0.000 0.248 161 V C 2.921 178.978 176.094 -0.063 0.000 1.053 161 V CA 1.833 64.012 62.300 -0.201 0.000 1.027 161 V CB -1.228 30.347 31.823 -0.412 0.000 0.646 161 V HN 0.531 nan 8.190 nan 0.000 0.447 162 A N -0.502 122.280 122.820 -0.063 0.000 1.902 162 A HA -0.217 4.101 4.320 -0.004 0.000 0.217 162 A C 2.395 179.988 177.584 0.015 0.000 1.181 162 A CA 2.499 54.511 52.037 -0.041 0.000 0.623 162 A CB -0.933 18.024 19.000 -0.071 0.000 0.818 162 A HN 0.512 nan 8.150 nan 0.000 0.443 163 T N 0.037 114.619 114.554 0.047 0.000 2.701 163 T HA -0.146 4.201 4.350 -0.004 0.000 0.263 163 T C 1.968 176.769 174.700 0.168 0.000 1.040 163 T CA 1.687 63.849 62.100 0.104 0.000 1.147 163 T CB -0.436 68.505 68.868 0.122 0.000 0.865 163 T HN 0.663 nan 8.240 nan 0.000 0.426 164 N N 0.726 119.521 118.700 0.157 0.000 2.166 164 N HA -0.087 4.651 4.740 -0.004 0.000 0.186 164 N C 1.997 177.622 175.510 0.191 0.000 1.019 164 N CA 1.474 54.667 53.050 0.239 0.000 0.856 164 N CB -0.353 38.223 38.487 0.149 0.000 0.993 164 N HN 0.220 nan 8.380 nan 0.000 0.426 165 S N -0.092 115.709 115.700 0.169 0.000 2.368 165 S HA -0.118 4.350 4.470 -0.004 0.000 0.225 165 S C 2.009 176.783 174.600 0.289 0.000 1.030 165 S CA 1.075 59.438 58.200 0.272 0.000 0.999 165 S CB -0.353 63.062 63.200 0.358 0.000 0.844 165 S HN 0.428 nan 8.310 nan 0.000 0.459 166 R N 0.409 120.995 120.500 0.144 0.000 2.092 166 R HA -0.031 4.306 4.340 -0.004 0.000 0.231 166 R C 2.092 178.437 176.300 0.075 0.000 1.119 166 R CA 1.483 57.613 56.100 0.051 0.000 0.970 166 R CB -0.183 30.113 30.300 -0.007 0.000 0.864 166 R HN 0.351 nan 8.270 nan 0.000 0.440 167 E N 0.734 121.000 120.200 0.111 0.000 2.110 167 E HA -0.211 4.136 4.350 -0.004 0.000 0.193 167 E C 1.964 178.604 176.600 0.067 0.000 0.988 167 E CA 1.288 57.729 56.400 0.069 0.000 0.804 167 E CB -0.063 29.673 29.700 0.060 0.000 0.745 167 E HN 0.552 nan 8.360 nan 0.000 0.458 168 Q N 0.336 120.207 119.800 0.117 0.000 2.119 168 Q HA -0.085 4.253 4.340 -0.004 0.000 0.201 168 Q C 2.165 178.281 176.000 0.194 0.000 0.972 168 Q CA 0.957 56.822 55.803 0.102 0.000 0.847 168 Q CB -0.072 28.705 28.738 0.066 0.000 0.903 168 Q HN 0.098 nan 8.270 nan 0.000 0.433 169 K N 1.271 121.847 120.400 0.294 0.000 2.097 169 K HA -0.170 4.147 4.320 -0.004 0.000 0.206 169 K C 1.775 178.422 176.600 0.078 0.000 1.049 169 K CA 1.153 57.569 56.287 0.216 0.000 0.933 169 K CB 0.167 32.566 32.500 -0.168 0.000 0.717 169 K HN 0.028 nan 8.250 nan 0.000 0.442 170 K N 0.346 120.774 120.400 0.047 0.000 2.026 170 K HA -0.117 4.200 4.320 -0.004 0.000 0.208 170 K C 2.088 178.724 176.600 0.060 0.000 1.048 170 K CA 1.612 57.914 56.287 0.025 0.000 0.929 170 K CB -0.148 32.357 32.500 0.008 0.000 0.713 170 K HN 0.146 nan 8.250 nan 0.000 0.439 171 I N 1.158 121.776 120.570 0.079 0.000 2.179 171 I HA -0.304 3.864 4.170 -0.004 0.000 0.242 171 I C 2.233 178.467 176.117 0.195 0.000 1.088 171 I CA 1.258 62.638 61.300 0.132 0.000 1.357 171 I CB -0.262 37.767 38.000 0.048 0.000 1.051 171 I HN 0.103 nan 8.210 nan 0.000 0.409 172 L N 0.367 121.674 121.223 0.141 0.000 2.046 172 L HA -0.213 4.124 4.340 -0.004 0.000 0.208 172 L C 2.834 179.801 176.870 0.162 0.000 1.077 172 L CA 1.398 56.340 54.840 0.171 0.000 0.747 172 L CB -0.689 41.499 42.059 0.214 0.000 0.896 172 L HN 0.259 nan 8.230 nan 0.000 0.432 173 A N 0.034 122.919 122.820 0.108 0.000 1.877 173 A HA -0.268 4.050 4.320 -0.004 0.000 0.216 173 A C 2.389 179.996 177.584 0.038 0.000 1.186 173 A CA 2.032 54.102 52.037 0.055 0.000 0.620 173 A CB -0.504 18.500 19.000 0.007 0.000 0.822 173 A HN 0.353 nan 8.150 nan 0.000 0.443 174 K N -1.575 118.847 120.400 0.036 0.000 2.009 174 K HA -0.221 4.096 4.320 -0.004 0.000 0.210 174 K C 1.835 178.358 176.600 -0.128 0.000 1.049 174 K CA 2.092 58.343 56.287 -0.061 0.000 0.929 174 K CB -0.388 32.057 32.500 -0.091 0.000 0.714 174 K HN 0.530 nan 8.250 nan 0.000 0.440 175 Y N 0.349 120.639 120.300 -0.017 0.000 2.314 175 Y HA -0.128 4.419 4.550 -0.004 0.000 0.293 175 Y C 2.064 177.930 175.900 -0.056 0.000 1.129 175 Y CA 0.701 58.780 58.100 -0.034 0.000 1.201 175 Y CB -0.131 38.325 38.460 -0.006 0.000 0.999 175 Y HN 0.112 nan 8.280 nan 0.000 0.541 176 L N -0.525 120.767 121.223 0.115 0.000 2.056 176 L HA -0.158 4.180 4.340 -0.004 0.000 0.207 176 L C 2.125 178.989 176.870 -0.009 0.000 1.078 176 L CA 1.399 56.271 54.840 0.052 0.000 0.749 176 L CB -0.908 41.197 42.059 0.076 0.000 0.901 176 L HN 0.224 nan 8.230 nan 0.000 0.433 177 L N -0.237 120.974 121.223 -0.019 0.000 2.017 177 L HA -0.211 4.126 4.340 -0.004 0.000 0.208 177 L C 2.525 179.353 176.870 -0.070 0.000 1.073 177 L CA 2.068 56.885 54.840 -0.039 0.000 0.745 177 L CB -0.742 41.292 42.059 -0.042 0.000 0.894 177 L HN 0.509 nan 8.230 nan 0.000 0.432 178 E N -1.296 118.836 120.200 -0.113 0.000 2.077 178 E HA -0.229 4.119 4.350 -0.004 0.000 0.193 178 E C 1.813 178.289 176.600 -0.205 0.000 0.989 178 E CA 1.773 58.089 56.400 -0.141 0.000 0.800 178 E CB -0.061 29.516 29.700 -0.205 0.000 0.746 178 E HN 0.682 nan 8.360 nan 0.000 0.452 179 T N -2.355 112.000 114.554 -0.332 0.000 3.081 179 T HA 0.038 4.385 4.350 -0.004 0.000 0.255 179 T C 1.706 176.251 174.700 -0.258 0.000 1.113 179 T CA 0.870 62.556 62.100 -0.689 0.000 1.082 179 T CB 0.295 68.701 68.868 -0.771 0.000 0.939 179 T HN 0.153 nan 8.240 nan 0.000 0.506 180 S N -0.645 114.994 115.700 -0.102 0.000 2.653 180 S HA 0.519 4.987 4.470 -0.004 0.000 0.259 180 S C 1.842 176.442 174.600 0.001 0.000 1.076 180 S CA 0.639 58.828 58.200 -0.018 0.000 1.051 180 S CB 0.034 63.230 63.200 -0.007 0.000 0.994 180 S HN 1.181 nan 8.310 nan 0.000 0.552 181 G N 1.861 110.655 108.800 -0.012 0.000 2.175 181 G HA2 -0.215 3.742 3.960 -0.004 0.000 0.244 181 G HA3 -0.215 3.742 3.960 -0.004 0.000 0.244 181 G C -0.178 174.719 174.900 -0.005 0.000 0.982 181 G CA 0.369 45.468 45.100 -0.003 0.000 0.641 181 G HN 1.164 nan 8.290 nan 0.000 0.527 182 N N -2.238 116.459 118.700 -0.004 0.000 3.243 182 N HA 0.674 5.412 4.740 -0.004 0.000 0.280 182 N C -0.119 175.393 175.510 0.003 0.000 1.545 182 N CA -1.070 51.979 53.050 -0.001 0.000 0.854 182 N CB 0.253 38.742 38.487 0.003 0.000 1.612 182 N HN 0.001 nan 8.380 nan 0.000 0.577 183 L N 0.009 121.235 121.223 0.006 0.000 3.014 183 L HA 0.420 4.758 4.340 -0.004 0.000 0.263 183 L C -0.815 176.071 176.870 0.027 0.000 1.207 183 L CA -0.260 54.587 54.840 0.012 0.000 1.017 183 L CB -1.209 40.848 42.059 -0.005 0.000 1.360 183 L HN 0.588 nan 8.230 nan 0.000 0.560 184 D N 0.679 121.096 120.400 0.028 0.000 2.493 184 D HA 0.377 5.015 4.640 -0.004 0.000 0.240 184 D C 1.473 177.813 176.300 0.067 0.000 1.142 184 D CA 1.319 55.342 54.000 0.039 0.000 0.872 184 D CB 0.829 41.645 40.800 0.027 0.000 1.173 184 D HN 0.337 nan 8.370 nan 0.000 0.467 185 G N 1.619 110.482 108.800 0.106 0.000 2.176 185 G HA2 -0.342 3.615 3.960 -0.004 0.000 0.253 185 G HA3 -0.342 3.615 3.960 -0.004 0.000 0.253 185 G C 1.044 176.065 174.900 0.201 0.000 0.979 185 G CA 0.409 45.613 45.100 0.174 0.000 0.641 185 G HN 0.507 nan 8.290 nan 0.000 0.530 186 L N 1.126 122.426 121.223 0.130 0.000 2.043 186 L HA 0.050 4.387 4.340 -0.004 0.000 0.212 186 L C 2.263 179.232 176.870 0.165 0.000 1.075 186 L CA 3.058 57.975 54.840 0.129 0.000 0.752 186 L CB -0.461 41.621 42.059 0.039 0.000 0.891 186 L HN 0.508 nan 8.230 nan 0.000 0.432 187 E N -1.969 118.250 120.200 0.031 0.000 2.478 187 E HA -0.161 4.187 4.350 -0.004 0.000 0.198 187 E C 0.846 177.367 176.600 -0.131 0.000 1.046 187 E CA 0.603 56.931 56.400 -0.121 0.000 0.870 187 E CB -0.028 29.472 29.700 -0.333 0.000 0.818 187 E HN 0.646 nan 8.360 nan 0.000 0.527 188 Y N -0.537 119.910 120.300 0.245 0.000 2.531 188 Y HA 0.163 4.710 4.550 -0.004 0.000 0.249 188 Y C 1.624 177.629 175.900 0.174 0.000 1.168 188 Y CA -0.234 57.987 58.100 0.202 0.000 1.226 188 Y CB 0.678 39.215 38.460 0.128 0.000 1.177 188 Y HN -0.179 nan 8.280 nan 0.000 0.527 189 K N 0.193 120.776 120.400 0.305 0.000 2.418 189 K HA 0.113 4.431 4.320 -0.004 0.000 0.195 189 K C -0.329 176.318 176.600 0.078 0.000 1.035 189 K CA 0.401 56.815 56.287 0.212 0.000 1.003 189 K CB 0.430 33.096 32.500 0.278 0.000 0.793 189 K HN 0.113 nan 8.250 nan 0.000 0.494 190 L N 0.669 121.753 121.223 -0.232 0.000 2.415 190 L HA 0.285 4.623 4.340 -0.004 0.000 0.268 190 L C -1.489 175.206 176.870 -0.292 0.000 0.984 190 L CA -0.700 53.873 54.840 -0.444 0.000 0.853 190 L CB 1.226 42.658 42.059 -1.046 0.000 1.215 190 L HN 0.004 nan 8.230 nan 0.000 0.419 191 H N 2.530 121.438 119.070 -0.270 0.000 2.459 191 H HA 0.383 4.937 4.556 -0.004 0.000 0.332 191 H C -0.826 174.337 175.328 -0.276 0.000 1.094 191 H CA -0.472 55.487 56.048 -0.148 0.000 1.224 191 H CB 1.243 30.927 29.762 -0.131 0.000 1.449 191 H HN 0.641 nan 8.280 nan 0.000 0.484 192 D N 4.676 124.989 120.400 -0.146 0.000 2.338 192 D HA -0.042 4.595 4.640 -0.004 0.000 0.255 192 D C -0.229 176.277 176.300 0.343 0.000 1.237 192 D CA 0.284 54.221 54.000 -0.106 0.000 0.883 192 D CB -0.030 40.689 40.800 -0.135 0.000 1.087 192 D HN 0.616 nan 8.370 nan 0.000 0.485 193 F N 1.610 121.587 119.950 0.044 0.000 2.639 193 F HA 0.225 4.749 4.527 -0.005 0.000 0.302 193 F C 1.987 177.830 175.800 0.072 0.000 1.097 193 F CA -0.682 57.368 58.000 0.085 0.000 1.294 193 F CB 1.146 40.181 39.000 0.060 0.000 1.027 193 F HN 0.496 nan 8.300 nan 0.000 0.550 194 G N -0.917 108.015 108.800 0.219 0.000 3.233 194 G HA2 -0.162 3.796 3.960 -0.004 0.000 0.227 194 G HA3 -0.162 3.796 3.960 -0.004 0.000 0.227 194 G C 1.015 176.036 174.900 0.201 0.000 1.175 194 G CA -0.032 45.166 45.100 0.163 0.000 0.781 194 G HN 0.268 nan 8.290 nan 0.000 0.542 195 Y N 2.674 123.015 120.300 0.068 0.000 2.181 195 Y HA -0.182 4.365 4.550 -0.005 0.000 0.288 195 Y C 2.756 178.676 175.900 0.033 0.000 1.146 195 Y CA 1.557 59.683 58.100 0.044 0.000 1.164 195 Y CB -0.067 38.415 38.460 0.036 0.000 0.982 195 Y HN 0.433 nan 8.280 nan 0.000 0.515 196 R N -1.216 119.388 120.500 0.173 0.000 2.193 196 R HA 0.097 4.435 4.340 -0.004 0.000 0.213 196 R C 2.031 178.377 176.300 0.076 0.000 1.055 196 R CA 1.192 57.325 56.100 0.056 0.000 0.995 196 R CB -0.841 29.465 30.300 0.010 0.000 0.893 196 R HN 0.287 nan 8.270 nan 0.000 0.459 197 G N 1.807 110.671 108.800 0.107 0.000 3.042 197 G HA2 0.155 4.113 3.960 -0.004 0.000 0.212 197 G HA3 0.155 4.113 3.960 -0.004 0.000 0.212 197 G C 0.651 175.603 174.900 0.088 0.000 1.166 197 G CA 0.259 45.412 45.100 0.088 0.000 0.767 197 G HN 0.201 nan 8.290 nan 0.000 0.546 198 V N -1.400 118.577 119.914 0.105 0.000 3.262 198 V HA 0.593 4.711 4.120 -0.004 0.000 0.313 198 V C 1.330 177.455 176.094 0.052 0.000 1.070 198 V CA 0.313 62.659 62.300 0.077 0.000 1.049 198 V CB 1.320 33.192 31.823 0.083 0.000 1.157 198 V HN 0.123 nan 8.190 nan 0.000 0.454 199 S N -0.553 115.155 115.700 0.013 0.000 2.548 199 S HA 0.316 4.784 4.470 -0.004 0.000 0.215 199 S C 0.649 175.256 174.600 0.012 0.000 0.976 199 S CA 0.302 58.505 58.200 0.006 0.000 0.908 199 S CB -0.717 62.473 63.200 -0.016 0.000 0.781 199 S HN 1.835 nan 8.310 nan 0.000 0.519 200 S N -0.870 114.846 115.700 0.025 0.000 2.627 200 S HA 0.357 4.825 4.470 -0.004 0.000 0.268 200 S C -0.035 174.618 174.600 0.088 0.000 1.130 200 S CA -0.837 57.389 58.200 0.043 0.000 0.819 200 S CB 0.800 64.012 63.200 0.020 0.000 1.100 200 S HN -0.101 nan 8.310 nan 0.000 0.465 201 Q N 1.121 120.987 119.800 0.111 0.000 2.084 201 Q HA -0.132 4.206 4.340 -0.004 0.000 0.202 201 Q C 1.824 177.880 176.000 0.093 0.000 0.978 201 Q CA 2.201 58.102 55.803 0.163 0.000 0.844 201 Q CB -0.512 28.312 28.738 0.143 0.000 0.898 201 Q HN 0.927 nan 8.270 nan 0.000 0.426 202 E N -0.075 120.164 120.200 0.065 0.000 2.051 202 E HA -0.144 4.203 4.350 -0.004 0.000 0.192 202 E C 1.768 178.360 176.600 -0.014 0.000 0.991 202 E CA 1.495 57.923 56.400 0.046 0.000 0.799 202 E CB 0.191 29.943 29.700 0.086 0.000 0.748 202 E HN 0.249 nan 8.360 nan 0.000 0.449 203 T N 0.680 115.211 114.554 -0.038 0.000 2.720 203 T HA -0.188 4.159 4.350 -0.004 0.000 0.268 203 T C 1.807 176.502 174.700 -0.008 0.000 1.037 203 T CA 1.339 63.381 62.100 -0.096 0.000 1.144 203 T CB -0.354 68.390 68.868 -0.206 0.000 0.864 203 T HN 0.360 nan 8.240 nan 0.000 0.444 204 A N 1.388 124.205 122.820 -0.006 0.000 1.865 204 A HA 0.021 4.339 4.320 -0.004 0.000 0.217 204 A C 2.634 180.123 177.584 -0.159 0.000 1.191 204 A CA 2.090 54.079 52.037 -0.081 0.000 0.623 204 A CB -1.453 17.444 19.000 -0.172 0.000 0.826 204 A HN 0.522 nan 8.150 nan 0.000 0.444 205 G N -0.127 108.584 108.800 -0.148 0.000 2.421 205 G HA2 -0.190 3.768 3.960 -0.004 0.000 0.216 205 G HA3 -0.190 3.768 3.960 -0.004 0.000 0.216 205 G C 1.543 176.350 174.900 -0.155 0.000 1.171 205 G CA 1.161 46.167 45.100 -0.157 0.000 0.775 205 G HN 0.490 nan 8.290 nan 0.000 0.543 206 I N 1.229 121.696 120.570 -0.173 0.000 2.179 206 I HA -0.096 4.072 4.170 -0.004 0.000 0.242 206 I C 3.086 179.173 176.117 -0.049 0.000 1.088 206 I CA 1.200 62.381 61.300 -0.200 0.000 1.357 206 I CB -0.504 37.387 38.000 -0.182 0.000 1.051 206 I HN 0.246 nan 8.210 nan 0.000 0.409 207 G N 0.248 109.095 108.800 0.077 0.000 2.402 207 G HA2 -0.182 3.776 3.960 -0.004 0.000 0.216 207 G HA3 -0.182 3.776 3.960 -0.004 0.000 0.216 207 G C 1.870 176.748 174.900 -0.037 0.000 1.162 207 G CA 0.749 45.835 45.100 -0.024 0.000 0.777 207 G HN 0.484 nan 8.290 nan 0.000 0.539 208 A N 1.365 124.159 122.820 -0.042 0.000 1.933 208 A HA -0.060 4.258 4.320 -0.004 0.000 0.218 208 A C 2.748 180.313 177.584 -0.031 0.000 1.175 208 A CA 2.651 54.661 52.037 -0.045 0.000 0.628 208 A CB -0.789 18.135 19.000 -0.127 0.000 0.814 208 A HN 0.773 nan 8.150 nan 0.000 0.444 209 S N 0.174 115.839 115.700 -0.060 0.000 2.382 209 S HA 0.019 4.487 4.470 -0.004 0.000 0.228 209 S C 2.076 176.662 174.600 -0.023 0.000 1.027 209 S CA 1.391 59.553 58.200 -0.064 0.000 0.991 209 S CB -0.649 62.540 63.200 -0.018 0.000 0.823 209 S HN 0.913 nan 8.310 nan 0.000 0.469 210 A N 1.590 124.415 122.820 0.008 0.000 1.898 210 A HA -0.087 4.231 4.320 -0.004 0.000 0.216 210 A C 2.107 179.628 177.584 -0.105 0.000 1.181 210 A CA 1.829 53.793 52.037 -0.122 0.000 0.620 210 A CB -1.383 17.593 19.000 -0.041 0.000 0.819 210 A HN 0.770 nan 8.150 nan 0.000 0.442 211 H N 0.059 119.070 119.070 -0.098 0.000 2.387 211 H HA 0.016 4.570 4.556 -0.004 0.000 0.299 211 H C 1.538 176.876 175.328 0.016 0.000 1.090 211 H CA 1.802 57.834 56.048 -0.026 0.000 1.332 211 H CB -0.332 29.409 29.762 -0.034 0.000 1.386 211 H HN 0.360 nan 8.280 nan 0.000 0.516 212 L N -0.261 120.916 121.223 -0.077 0.000 2.456 212 L HA -0.087 4.251 4.340 -0.004 0.000 0.224 212 L C 2.176 179.042 176.870 -0.007 0.000 1.148 212 L CA 0.194 55.000 54.840 -0.057 0.000 0.825 212 L CB -0.115 41.944 42.059 -0.001 0.000 0.937 212 L HN 0.204 nan 8.230 nan 0.000 0.450 213 V N 0.200 120.006 119.914 -0.180 0.000 2.469 213 V HA -0.253 3.865 4.120 -0.004 0.000 0.251 213 V C 1.840 177.688 176.094 -0.410 0.000 1.064 213 V CA 1.747 63.743 62.300 -0.506 0.000 1.066 213 V CB -0.443 30.998 31.823 -0.637 0.000 0.667 213 V HN 0.608 nan 8.190 nan 0.000 0.461 214 N N -2.191 116.290 118.700 -0.366 0.000 2.460 214 N HA 0.208 4.946 4.740 -0.004 0.000 0.193 214 N C 0.145 175.186 175.510 -0.783 0.000 1.080 214 N CA 0.336 53.073 53.050 -0.521 0.000 0.869 214 N CB 0.816 39.039 38.487 -0.440 0.000 1.201 214 N HN 0.410 nan 8.380 nan 0.000 0.457 215 F N 0.193 119.874 119.950 -0.448 0.000 2.664 215 F HA 0.450 4.975 4.527 -0.004 0.000 0.329 215 F C 1.238 176.796 175.800 -0.404 0.000 1.090 215 F CA -0.795 56.932 58.000 -0.454 0.000 0.978 215 F CB 1.911 40.576 39.000 -0.559 0.000 1.378 215 F HN -0.431 nan 8.300 nan 0.000 0.495 216 K N 0.034 120.311 120.400 -0.205 0.000 2.402 216 K HA 0.260 4.577 4.320 -0.004 0.000 0.203 216 K C 0.246 176.829 176.600 -0.028 0.000 1.077 216 K CA 0.003 56.175 56.287 -0.192 0.000 1.051 216 K CB 1.375 33.662 32.500 -0.354 0.000 0.907 216 K HN 0.691 nan 8.250 nan 0.000 0.554 217 G N 0.947 109.719 108.800 -0.046 0.000 2.335 217 G HA2 0.378 4.336 3.960 -0.004 0.000 0.316 217 G HA3 0.378 4.336 3.960 -0.004 0.000 0.316 217 G C -0.964 173.618 174.900 -0.531 0.000 1.129 217 G CA -0.016 45.045 45.100 -0.065 0.000 0.899 217 G HN -0.088 nan 8.290 nan 0.000 0.448 218 T N 0.846 115.049 114.554 -0.585 0.000 3.012 218 T HA 0.341 4.689 4.350 -0.004 0.000 0.330 218 T C -0.740 173.969 174.700 0.014 0.000 1.321 218 T CA -0.495 61.401 62.100 -0.339 0.000 1.067 218 T CB 1.879 70.695 68.868 -0.086 0.000 1.235 218 T HN 0.280 nan 8.240 nan 0.000 0.479 219 D N 1.503 122.043 120.400 0.233 0.000 2.398 219 D HA 0.218 4.856 4.640 -0.004 0.000 0.210 219 D C 0.328 176.739 176.300 0.185 0.000 1.094 219 D CA 0.296 54.464 54.000 0.280 0.000 0.839 219 D CB 0.611 41.607 40.800 0.327 0.000 0.963 219 D HN 0.460 nan 8.370 nan 0.000 0.506 220 T N 0.823 115.421 114.554 0.073 0.000 3.364 220 T HA 0.099 4.446 4.350 -0.004 0.000 0.323 220 T C 1.689 176.263 174.700 -0.211 0.000 1.323 220 T CA -0.185 61.839 62.100 -0.126 0.000 1.073 220 T CB 0.948 69.685 68.868 -0.218 0.000 1.150 220 T HN -0.171 nan 8.240 nan 0.000 0.727 221 V N 2.210 122.084 119.914 -0.066 0.000 2.453 221 V HA -0.261 3.856 4.120 -0.004 0.000 0.252 221 V C 2.780 178.810 176.094 -0.106 0.000 1.068 221 V CA 2.142 64.428 62.300 -0.022 0.000 1.070 221 V CB -1.007 30.885 31.823 0.114 0.000 0.664 221 V HN 0.904 nan 8.190 nan 0.000 0.461 222 A N 0.675 123.345 122.820 -0.249 0.000 2.042 222 A HA -0.192 4.126 4.320 -0.004 0.000 0.222 222 A C 2.407 179.893 177.584 -0.162 0.000 1.167 222 A CA 2.033 53.950 52.037 -0.199 0.000 0.649 222 A CB -1.136 17.665 19.000 -0.331 0.000 0.809 222 A HN 0.568 nan 8.150 nan 0.000 0.457 223 G N -0.243 108.438 108.800 -0.199 0.000 2.432 223 G HA2 -0.139 3.818 3.960 -0.004 0.000 0.219 223 G HA3 -0.139 3.818 3.960 -0.004 0.000 0.219 223 G C 1.503 176.307 174.900 -0.160 0.000 1.135 223 G CA 0.987 45.988 45.100 -0.166 0.000 0.767 223 G HN 0.477 nan 8.290 nan 0.000 0.550 224 L N 0.569 121.706 121.223 -0.145 0.000 1.994 224 L HA -0.058 4.280 4.340 -0.004 0.000 0.208 224 L C 3.382 180.187 176.870 -0.107 0.000 1.071 224 L CA 1.228 55.980 54.840 -0.148 0.000 0.745 224 L CB -0.593 41.394 42.059 -0.120 0.000 0.892 224 L HN 0.291 nan 8.230 nan 0.000 0.431 225 A N -0.096 122.686 122.820 -0.062 0.000 1.969 225 A HA -0.166 4.152 4.320 -0.004 0.000 0.218 225 A C 2.314 179.901 177.584 0.006 0.000 1.169 225 A CA 1.283 53.301 52.037 -0.031 0.000 0.635 225 A CB -0.613 18.383 19.000 -0.007 0.000 0.810 225 A HN 0.400 nan 8.150 nan 0.000 0.445 226 L N -0.505 120.741 121.223 0.038 0.000 2.017 226 L HA -0.135 4.202 4.340 -0.004 0.000 0.208 226 L C 2.367 179.364 176.870 0.212 0.000 1.073 226 L CA 1.582 56.532 54.840 0.184 0.000 0.745 226 L CB -0.245 41.859 42.059 0.075 0.000 0.894 226 L HN 0.412 nan 8.230 nan 0.000 0.432 227 I N -0.040 120.536 120.570 0.009 0.000 2.226 227 I HA -0.351 3.817 4.170 -0.004 0.000 0.245 227 I C 2.628 178.753 176.117 0.012 0.000 1.100 227 I CA 1.575 62.833 61.300 -0.070 0.000 1.374 227 I CB -0.336 37.321 38.000 -0.571 0.000 1.057 227 I HN 0.295 nan 8.210 nan 0.000 0.413 228 K N 1.390 121.760 120.400 -0.050 0.000 2.063 228 K HA -0.271 4.047 4.320 -0.004 0.000 0.208 228 K C 2.238 178.797 176.600 -0.068 0.000 1.048 228 K CA 1.799 58.057 56.287 -0.048 0.000 0.928 228 K CB -0.052 32.410 32.500 -0.063 0.000 0.713 228 K HN 0.143 nan 8.250 nan 0.000 0.442 229 K N -0.876 119.447 120.400 -0.128 0.000 2.116 229 K HA -0.121 4.196 4.320 -0.004 0.000 0.203 229 K C 1.356 177.662 176.600 -0.490 0.000 1.052 229 K CA 1.288 57.361 56.287 -0.357 0.000 0.952 229 K CB 0.043 32.216 32.500 -0.544 0.000 0.729 229 K HN 0.215 nan 8.250 nan 0.000 0.446 230 Y N -2.002 118.268 120.300 -0.049 0.000 2.462 230 Y HA 0.117 4.665 4.550 -0.003 0.000 0.253 230 Y C 0.904 176.560 175.900 -0.408 0.000 1.095 230 Y CA 0.069 58.038 58.100 -0.218 0.000 1.283 230 Y CB 0.625 38.965 38.460 -0.199 0.000 1.138 230 Y HN 0.020 nan 8.280 nan 0.000 0.522 231 Y N -1.059 119.357 120.300 0.192 0.000 2.921 231 Y HA 0.503 5.051 4.550 -0.004 0.000 0.246 231 Y C 1.163 177.159 175.900 0.161 0.000 1.030 231 Y CA 0.214 58.450 58.100 0.226 0.000 1.338 231 Y CB 0.541 39.226 38.460 0.375 0.000 1.493 231 Y HN -0.151 nan 8.280 nan 0.000 0.452 232 G N 1.070 110.030 108.800 0.267 0.000 2.785 232 G HA2 0.139 4.096 3.960 -0.004 0.000 0.686 232 G HA3 0.139 4.096 3.960 -0.004 0.000 0.686 232 G C -0.560 174.453 174.900 0.189 0.000 1.155 232 G CA -0.371 44.822 45.100 0.154 0.000 0.760 232 G HN 0.503 nan 8.290 nan 0.000 0.624 233 T N -0.323 114.300 114.554 0.116 0.000 2.909 233 T HA 0.701 5.049 4.350 -0.004 0.000 0.299 233 T C 1.016 175.767 174.700 0.085 0.000 1.073 233 T CA -0.469 61.707 62.100 0.128 0.000 0.999 233 T CB 2.265 71.202 68.868 0.114 0.000 1.098 233 T HN 0.490 nan 8.240 nan 0.000 0.477 234 K N 0.674 121.126 120.400 0.086 0.000 2.103 234 K HA -0.043 4.275 4.320 -0.004 0.000 0.207 234 K C 0.310 176.949 176.600 0.065 0.000 1.048 234 K CA 1.229 57.556 56.287 0.067 0.000 0.930 234 K CB -0.271 32.268 32.500 0.065 0.000 0.716 234 K HN 0.705 nan 8.250 nan 0.000 0.444 235 D N 0.027 120.473 120.400 0.078 0.000 2.344 235 D HA 0.032 4.670 4.640 -0.004 0.000 0.244 235 D C -1.595 174.740 176.300 0.058 0.000 1.134 235 D CA -1.382 52.669 54.000 0.087 0.000 0.930 235 D CB 0.585 41.464 40.800 0.132 0.000 1.175 235 D HN -0.096 nan 8.370 nan 0.000 0.437 236 P HA -0.105 nan 4.420 nan 0.000 0.216 236 P C 0.197 177.492 177.300 -0.009 0.000 1.150 236 P CA 1.070 64.191 63.100 0.034 0.000 0.837 236 P CB 0.298 32.031 31.700 0.055 0.000 0.786 237 V N -6.167 113.723 119.914 -0.040 0.000 2.962 237 V HA 0.515 4.633 4.120 -0.004 0.000 0.313 237 V C -2.254 173.689 176.094 -0.251 0.000 1.099 237 V CA -2.033 60.166 62.300 -0.169 0.000 0.971 237 V CB 1.933 33.602 31.823 -0.256 0.000 1.028 237 V HN -0.210 nan 8.190 nan 0.000 0.430 238 P HA 0.312 nan 4.420 nan 0.000 0.245 238 P C 0.540 177.664 177.300 -0.294 0.000 1.203 238 P CA 0.838 63.812 63.100 -0.211 0.000 0.792 238 P CB 0.750 32.279 31.700 -0.285 0.000 0.997 239 G N -1.155 107.348 108.800 -0.495 0.000 2.690 239 G HA2 0.604 4.562 3.960 -0.004 0.000 0.291 239 G HA3 0.604 4.562 3.960 -0.004 0.000 0.291 239 G C -2.139 172.391 174.900 -0.617 0.000 1.403 239 G CA -0.463 44.376 45.100 -0.434 0.000 0.864 239 G HN -0.104 nan 8.290 nan 0.000 0.480 240 Y N -0.743 119.622 120.300 0.108 0.000 2.581 240 Y HA 0.797 5.344 4.550 -0.004 0.000 0.345 240 Y C 0.492 176.505 175.900 0.188 0.000 1.036 240 Y CA -0.719 57.474 58.100 0.154 0.000 1.042 240 Y CB 2.752 41.348 38.460 0.226 0.000 1.289 240 Y HN 0.710 nan 8.280 nan 0.000 0.471 241 S N 0.338 116.238 115.700 0.333 0.000 2.732 241 S HA 0.875 5.343 4.470 -0.004 0.000 0.293 241 S C -1.587 173.119 174.600 0.177 0.000 1.159 241 S CA -0.526 57.865 58.200 0.319 0.000 0.847 241 S CB 1.359 64.721 63.200 0.270 0.000 1.169 241 S HN 0.809 nan 8.310 nan 0.000 0.501 242 V N 0.046 120.014 119.914 0.088 0.000 3.040 242 V HA 0.815 4.932 4.120 -0.004 0.000 0.312 242 V C -2.978 173.029 176.094 -0.145 0.000 1.115 242 V CA -2.405 59.871 62.300 -0.040 0.000 0.998 242 V CB 0.666 32.445 31.823 -0.074 0.000 1.042 242 V HN 0.711 nan 8.190 nan 0.000 0.433 243 P HA 0.614 nan 4.420 nan 0.000 0.268 243 P C -0.577 176.473 177.300 -0.416 0.000 1.205 243 P CA 0.312 63.099 63.100 -0.522 0.000 0.771 243 P CB 0.865 31.826 31.700 -1.232 0.000 0.858 244 A N 1.505 124.119 122.820 -0.344 0.000 2.589 244 A HA 0.700 5.017 4.320 -0.004 0.000 0.296 244 A C -0.790 176.684 177.584 -0.184 0.000 1.062 244 A CA -0.514 51.375 52.037 -0.246 0.000 0.686 244 A CB 1.269 20.136 19.000 -0.222 0.000 1.282 244 A HN 0.549 nan 8.150 nan 0.000 0.404 245 A N 0.882 123.620 122.820 -0.137 0.000 2.287 245 A HA 0.717 5.034 4.320 -0.004 0.000 0.273 245 A C 0.229 177.731 177.584 -0.136 0.000 1.091 245 A CA 0.342 52.334 52.037 -0.076 0.000 0.817 245 A CB 0.218 19.206 19.000 -0.021 0.000 1.069 245 A HN 1.153 nan 8.150 nan 0.000 0.492 246 E N -0.988 119.150 120.200 -0.102 0.000 2.423 246 E HA 0.463 4.811 4.350 -0.004 0.000 0.269 246 E C -0.241 176.271 176.600 -0.147 0.000 0.948 246 E CA -0.707 55.599 56.400 -0.157 0.000 0.802 246 E CB 0.543 30.196 29.700 -0.078 0.000 1.339 246 E HN 0.617 nan 8.360 nan 0.000 0.445 247 H N 0.083 119.150 119.070 -0.004 0.000 2.387 247 H HA -0.145 4.409 4.556 -0.004 0.000 0.299 247 H C 2.207 177.561 175.328 0.042 0.000 1.090 247 H CA 2.550 58.600 56.048 0.003 0.000 1.332 247 H CB 0.083 29.824 29.762 -0.035 0.000 1.386 247 H HN 0.611 nan 8.280 nan 0.000 0.516 248 S N -0.076 115.705 115.700 0.136 0.000 2.399 248 S HA -0.201 4.266 4.470 -0.004 0.000 0.231 248 S C 2.206 176.897 174.600 0.150 0.000 1.022 248 S CA 1.518 59.789 58.200 0.118 0.000 0.983 248 S CB -0.757 62.487 63.200 0.075 0.000 0.803 248 S HN 0.631 nan 8.310 nan 0.000 0.480 249 T N -0.713 113.935 114.554 0.157 0.000 3.067 249 T HA 0.233 4.580 4.350 -0.004 0.000 0.261 249 T C 1.642 176.577 174.700 0.392 0.000 1.110 249 T CA 0.310 62.561 62.100 0.251 0.000 1.113 249 T CB -0.320 68.684 68.868 0.227 0.000 0.917 249 T HN 0.313 nan 8.240 nan 0.000 0.499 250 I N 2.873 123.611 120.570 0.280 0.000 2.385 250 I HA 0.015 4.183 4.170 -0.004 0.000 0.244 250 I C 2.969 179.300 176.117 0.357 0.000 1.089 250 I CA 1.672 63.139 61.300 0.278 0.000 1.410 250 I CB -1.725 36.388 38.000 0.188 0.000 1.117 250 I HN 0.467 nan 8.210 nan 0.000 0.429 251 T N -0.052 114.667 114.554 0.274 0.000 2.915 251 T HA 0.009 4.357 4.350 -0.004 0.000 0.269 251 T C 1.977 176.845 174.700 0.281 0.000 1.071 251 T CA 0.984 63.259 62.100 0.293 0.000 1.132 251 T CB -0.462 68.524 68.868 0.198 0.000 0.878 251 T HN 0.232 nan 8.240 nan 0.000 0.479 252 A N 0.569 123.534 122.820 0.243 0.000 2.076 252 A HA 0.010 4.328 4.320 -0.004 0.000 0.220 252 A C 1.863 179.480 177.584 0.054 0.000 1.160 252 A CA 1.031 53.130 52.037 0.102 0.000 0.653 252 A CB -1.246 17.755 19.000 0.000 0.000 0.801 252 A HN 0.760 nan 8.150 nan 0.000 0.455 253 W N -0.687 120.643 121.300 0.051 0.000 2.699 253 W HA 0.363 5.021 4.660 -0.004 0.000 0.249 253 W C 1.319 177.880 176.519 0.069 0.000 1.280 253 W CA 1.256 58.616 57.345 0.025 0.000 1.345 253 W CB -0.324 29.164 29.460 0.045 0.000 1.128 253 W HN 0.654 nan 8.180 nan 0.000 0.642 254 G N 0.225 109.208 108.800 0.305 0.000 2.712 254 G HA2 -0.273 3.684 3.960 -0.004 0.000 0.686 254 G HA3 -0.273 3.684 3.960 -0.004 0.000 0.686 254 G C 0.429 175.426 174.900 0.162 0.000 1.181 254 G CA -0.186 45.050 45.100 0.227 0.000 0.762 254 G HN 0.124 nan 8.290 nan 0.000 0.641 255 K N -0.209 120.171 120.400 -0.034 0.000 2.152 255 K HA -0.119 4.199 4.320 -0.004 0.000 0.206 255 K C 1.473 177.817 176.600 -0.426 0.000 1.048 255 K CA 1.919 57.925 56.287 -0.469 0.000 0.933 255 K CB -0.053 32.065 32.500 -0.637 0.000 0.721 255 K HN 0.469 nan 8.250 nan 0.000 0.447 256 D N -0.376 119.853 120.400 -0.286 0.000 2.363 256 D HA -0.055 4.582 4.640 -0.004 0.000 0.226 256 D C 0.396 176.324 176.300 -0.620 0.000 1.020 256 D CA 0.733 54.472 54.000 -0.434 0.000 0.892 256 D CB 0.180 40.714 40.800 -0.444 0.000 0.900 256 D HN 0.355 nan 8.370 nan 0.000 0.531 257 H N -0.307 118.716 119.070 -0.078 0.000 2.475 257 H HA 0.140 4.693 4.556 -0.004 0.000 0.276 257 H C 1.267 176.503 175.328 -0.154 0.000 1.126 257 H CA -0.123 55.895 56.048 -0.050 0.000 1.023 257 H CB 0.646 30.476 29.762 0.113 0.000 1.669 257 H HN 0.262 nan 8.280 nan 0.000 0.573 258 E N 1.890 121.978 120.200 -0.188 0.000 2.118 258 E HA -0.185 4.162 4.350 -0.004 0.000 0.195 258 E C 2.122 178.239 176.600 -0.806 0.000 0.992 258 E CA 0.997 57.144 56.400 -0.421 0.000 0.804 258 E CB 0.324 29.797 29.700 -0.378 0.000 0.741 258 E HN 0.292 nan 8.360 nan 0.000 0.458 259 K N 0.292 120.337 120.400 -0.593 0.000 2.057 259 K HA -0.188 4.129 4.320 -0.004 0.000 0.207 259 K C 1.563 177.940 176.600 -0.373 0.000 1.049 259 K CA 1.820 57.796 56.287 -0.519 0.000 0.931 259 K CB 0.021 32.341 32.500 -0.301 0.000 0.714 259 K HN 0.092 nan 8.250 nan 0.000 0.440 260 D N 0.436 120.662 120.400 -0.289 0.000 2.144 260 D HA -0.138 4.500 4.640 -0.004 0.000 0.199 260 D C 1.760 177.587 176.300 -0.788 0.000 0.984 260 D CA 1.269 55.087 54.000 -0.304 0.000 0.834 260 D CB -0.183 40.588 40.800 -0.047 0.000 0.955 260 D HN 0.366 nan 8.370 nan 0.000 0.465 261 A N 0.757 122.932 122.820 -1.075 0.000 1.858 261 A HA -0.169 4.148 4.320 -0.004 0.000 0.216 261 A C 2.021 179.354 177.584 -0.418 0.000 1.190 261 A CA 0.947 52.114 52.037 -1.450 0.000 0.617 261 A CB -0.866 17.511 19.000 -1.038 0.000 0.827 261 A HN 0.079 nan 8.150 nan 0.000 0.443 262 F N 0.083 119.779 119.950 -0.424 0.000 2.095 262 F HA -0.139 4.385 4.527 -0.004 0.000 0.298 262 F C 2.366 178.103 175.800 -0.105 0.000 1.104 262 F CA 1.278 59.128 58.000 -0.250 0.000 1.232 262 F CB -1.183 37.425 39.000 -0.652 0.000 0.987 262 F HN 0.501 nan 8.300 nan 0.000 0.475 263 E N -0.760 119.460 120.200 0.034 0.000 2.058 263 E HA -0.302 4.045 4.350 -0.004 0.000 0.194 263 E C 2.220 178.857 176.600 0.061 0.000 0.997 263 E CA 1.630 58.057 56.400 0.045 0.000 0.801 263 E CB -0.308 29.396 29.700 0.007 0.000 0.746 263 E HN 0.485 nan 8.360 nan 0.000 0.450 264 H N -0.030 118.986 119.070 -0.090 0.000 2.353 264 H HA -0.072 4.481 4.556 -0.004 0.000 0.300 264 H C 1.937 177.304 175.328 0.066 0.000 1.090 264 H CA 2.210 58.255 56.048 -0.005 0.000 1.327 264 H CB -0.086 29.668 29.762 -0.013 0.000 1.383 264 H HN 0.203 nan 8.280 nan 0.000 0.508 265 I N 0.042 120.700 120.570 0.148 0.000 2.202 265 I HA -0.226 3.941 4.170 -0.004 0.000 0.242 265 I C 2.507 178.735 176.117 0.185 0.000 1.091 265 I CA 1.307 62.731 61.300 0.207 0.000 1.368 265 I CB -0.276 37.889 38.000 0.274 0.000 1.058 265 I HN 0.322 nan 8.210 nan 0.000 0.410 266 V N -2.435 117.575 119.914 0.160 0.000 2.626 266 V HA -0.187 3.930 4.120 -0.004 0.000 0.252 266 V C 2.197 178.321 176.094 0.050 0.000 1.067 266 V CA 2.145 64.520 62.300 0.126 0.000 1.081 266 V CB -1.401 30.500 31.823 0.130 0.000 0.686 266 V HN 0.360 nan 8.190 nan 0.000 0.468 267 T N -0.185 114.365 114.554 -0.007 0.000 2.857 267 T HA -0.102 4.246 4.350 -0.004 0.000 0.266 267 T C 2.018 176.618 174.700 -0.167 0.000 1.048 267 T CA 1.564 63.624 62.100 -0.068 0.000 1.139 267 T CB -0.287 68.544 68.868 -0.062 0.000 0.874 267 T HN 0.502 nan 8.240 nan 0.000 0.455 268 Q N 0.267 119.885 119.800 -0.303 0.000 2.135 268 Q HA -0.002 4.335 4.340 -0.004 0.000 0.204 268 Q C 0.350 175.932 176.000 -0.698 0.000 0.981 268 Q CA 1.102 56.571 55.803 -0.558 0.000 0.856 268 Q CB -0.219 28.057 28.738 -0.770 0.000 0.902 268 Q HN 0.571 nan 8.270 nan 0.000 0.425 269 F N 0.466 120.385 119.950 -0.052 0.000 2.664 269 F HA 0.163 4.688 4.527 -0.004 0.000 0.322 269 F C 1.201 176.975 175.800 -0.042 0.000 1.324 269 F CA -0.414 57.563 58.000 -0.038 0.000 1.154 269 F CB 0.470 39.450 39.000 -0.034 0.000 1.236 269 F HN -0.074 nan 8.300 nan 0.000 0.532 270 S N -1.490 114.232 115.700 0.036 0.000 2.496 270 S HA -0.078 4.390 4.470 -0.004 0.000 0.224 270 S C 1.400 176.013 174.600 0.021 0.000 0.996 270 S CA 0.745 58.955 58.200 0.017 0.000 0.927 270 S CB -0.198 62.993 63.200 -0.016 0.000 0.774 270 S HN 0.362 nan 8.310 nan 0.000 0.524 271 S N 0.380 116.102 115.700 0.036 0.000 2.730 271 S HA 0.513 4.981 4.470 -0.004 0.000 0.244 271 S C 0.157 174.776 174.600 0.031 0.000 1.022 271 S CA -0.057 58.158 58.200 0.024 0.000 1.014 271 S CB 0.026 63.235 63.200 0.014 0.000 0.963 271 S HN 0.647 nan 8.310 nan 0.000 0.540 272 V N -2.909 117.037 119.914 0.055 0.000 3.126 272 V HA 0.779 4.896 4.120 -0.004 0.000 0.314 272 V C -3.358 172.734 176.094 -0.003 0.000 1.138 272 V CA -3.126 59.191 62.300 0.029 0.000 1.034 272 V CB 1.007 32.866 31.823 0.060 0.000 1.075 272 V HN -0.106 nan 8.190 nan 0.000 0.442 273 P HA 0.391 nan 4.420 nan 0.000 0.271 273 P C -0.947 176.288 177.300 -0.108 0.000 1.218 273 P CA 0.040 63.089 63.100 -0.085 0.000 0.780 273 P CB 1.074 32.710 31.700 -0.107 0.000 0.901 274 V N 1.816 121.649 119.914 -0.135 0.000 2.733 274 V HA 0.483 4.600 4.120 -0.004 0.000 0.306 274 V C -0.747 175.222 176.094 -0.208 0.000 1.084 274 V CA -0.524 61.669 62.300 -0.178 0.000 0.905 274 V CB 2.037 33.801 31.823 -0.099 0.000 1.010 274 V HN 0.574 nan 8.190 nan 0.000 0.424 275 S N 5.452 121.021 115.700 -0.218 0.000 2.480 275 S HA 0.787 5.255 4.470 -0.004 0.000 0.286 275 S C -0.979 173.498 174.600 -0.204 0.000 1.180 275 S CA -0.408 57.663 58.200 -0.216 0.000 1.075 275 S CB 1.264 64.352 63.200 -0.186 0.000 0.996 275 S HN 0.874 nan 8.310 nan 0.000 0.487 276 V N 5.636 125.414 119.914 -0.227 0.000 2.447 276 V HA 0.380 4.498 4.120 -0.004 0.000 0.292 276 V C 0.024 176.019 176.094 -0.166 0.000 1.021 276 V CA -0.920 61.273 62.300 -0.178 0.000 0.850 276 V CB 1.503 33.232 31.823 -0.157 0.000 1.005 276 V HN 0.772 nan 8.190 nan 0.000 0.426 277 V N 4.747 124.571 119.914 -0.149 0.000 2.529 277 V HA 0.199 4.316 4.120 -0.004 0.000 0.292 277 V C 1.059 177.138 176.094 -0.025 0.000 1.028 277 V CA 1.054 63.264 62.300 -0.150 0.000 1.074 277 V CB 1.699 33.315 31.823 -0.345 0.000 0.958 277 V HN 1.025 nan 8.190 nan 0.000 0.481 278 S N 3.323 119.056 115.700 0.055 0.000 2.701 278 S HA 0.147 4.615 4.470 -0.004 0.000 0.242 278 S C 0.692 175.405 174.600 0.188 0.000 1.025 278 S CA 0.122 58.462 58.200 0.233 0.000 1.016 278 S CB 0.063 63.432 63.200 0.282 0.000 0.977 278 S HN 1.009 nan 8.310 nan 0.000 0.546 279 D N 0.435 120.901 120.400 0.110 0.000 2.462 279 D HA 0.202 4.840 4.640 -0.004 0.000 0.221 279 D C 0.891 177.191 176.300 0.000 0.000 1.173 279 D CA 0.007 54.033 54.000 0.042 0.000 0.831 279 D CB -0.161 40.651 40.800 0.021 0.000 1.001 279 D HN 0.006 nan 8.370 nan 0.000 0.499 280 S N -0.086 115.588 115.700 -0.044 0.000 2.380 280 S HA -0.186 4.281 4.470 -0.004 0.000 0.229 280 S C 0.849 175.040 174.600 -0.681 0.000 1.043 280 S CA 1.493 59.450 58.200 -0.405 0.000 1.038 280 S CB -0.288 62.482 63.200 -0.717 0.000 0.872 280 S HN 0.558 nan 8.310 nan 0.000 0.456 281 Y N -0.817 119.506 120.300 0.040 0.000 2.723 281 Y HA 0.414 4.961 4.550 -0.004 0.000 0.272 281 Y C 0.149 176.048 175.900 -0.002 0.000 1.142 281 Y CA -0.464 57.639 58.100 0.005 0.000 1.217 281 Y CB 0.801 39.252 38.460 -0.014 0.000 1.391 281 Y HN 0.053 nan 8.280 nan 0.000 0.479 282 D N 0.231 120.710 120.400 0.130 0.000 2.318 282 D HA 0.095 4.733 4.640 -0.004 0.000 0.233 282 D C 0.232 176.532 176.300 -0.000 0.000 1.348 282 D CA -0.186 53.850 54.000 0.061 0.000 0.983 282 D CB 0.941 41.804 40.800 0.106 0.000 1.416 282 D HN 0.176 nan 8.370 nan 0.000 0.558 283 I N 3.695 124.169 120.570 -0.160 0.000 2.194 283 I HA -0.229 3.939 4.170 -0.004 0.000 0.246 283 I C 1.167 177.186 176.117 -0.163 0.000 1.093 283 I CA 1.800 62.969 61.300 -0.218 0.000 1.355 283 I CB -0.235 37.516 38.000 -0.415 0.000 1.046 283 I HN 0.454 nan 8.210 nan 0.000 0.413 284 Y N -0.141 120.223 120.300 0.106 0.000 2.263 284 Y HA -0.186 4.362 4.550 -0.004 0.000 0.292 284 Y C 2.520 178.483 175.900 0.107 0.000 1.130 284 Y CA 1.443 59.602 58.100 0.098 0.000 1.179 284 Y CB -0.792 37.712 38.460 0.073 0.000 0.998 284 Y HN 0.346 nan 8.280 nan 0.000 0.532 285 N N 0.671 119.495 118.700 0.206 0.000 2.188 285 N HA -0.172 4.566 4.740 -0.004 0.000 0.184 285 N C 1.855 177.438 175.510 0.122 0.000 1.018 285 N CA 1.305 54.438 53.050 0.138 0.000 0.858 285 N CB -0.305 38.236 38.487 0.090 0.000 0.989 285 N HN 0.258 nan 8.380 nan 0.000 0.426 286 A N -0.017 122.882 122.820 0.132 0.000 1.877 286 A HA -0.146 4.171 4.320 -0.004 0.000 0.216 286 A C 2.615 180.361 177.584 0.269 0.000 1.186 286 A CA 1.549 53.681 52.037 0.158 0.000 0.620 286 A CB -1.202 17.960 19.000 0.270 0.000 0.822 286 A HN 0.584 nan 8.150 nan 0.000 0.443 287 C N -1.285 118.220 119.300 0.341 0.000 2.453 287 C HA -0.037 4.421 4.460 -0.004 0.000 0.277 287 C C 2.720 177.927 174.990 0.360 0.000 1.262 287 C CA 1.246 60.520 59.018 0.427 0.000 1.718 287 C CB -1.034 26.889 27.740 0.305 0.000 2.031 287 C HN 0.787 nan 8.230 nan 0.000 0.480 288 E N 0.290 120.644 120.200 0.258 0.000 2.076 288 E HA -0.129 4.219 4.350 -0.004 0.000 0.190 288 E C 1.967 178.660 176.600 0.155 0.000 0.979 288 E CA 0.881 57.400 56.400 0.198 0.000 0.807 288 E CB 0.164 29.959 29.700 0.159 0.000 0.761 288 E HN 0.338 nan 8.360 nan 0.000 0.454 289 K N 0.081 120.558 120.400 0.127 0.000 2.190 289 K HA 0.139 4.456 4.320 -0.004 0.000 0.202 289 K C 2.095 178.732 176.600 0.063 0.000 1.045 289 K CA 0.554 56.886 56.287 0.075 0.000 0.976 289 K CB -0.165 32.358 32.500 0.038 0.000 0.849 289 K HN 0.201 nan 8.250 nan 0.000 0.468 290 I N -1.156 119.435 120.570 0.036 0.000 2.188 290 I HA -0.163 4.005 4.170 -0.004 0.000 0.237 290 I C 2.156 178.307 176.117 0.058 0.000 1.073 290 I CA 1.146 62.411 61.300 -0.059 0.000 1.359 290 I CB -0.402 37.445 38.000 -0.254 0.000 1.083 290 I HN 0.117 nan 8.210 nan 0.000 0.412 291 W N 0.995 122.440 121.300 0.242 0.000 2.358 291 W HA -0.064 4.594 4.660 -0.004 0.000 0.303 291 W C 2.519 179.202 176.519 0.274 0.000 1.208 291 W CA 0.761 58.250 57.345 0.239 0.000 1.274 291 W CB -0.633 28.952 29.460 0.208 0.000 1.138 291 W HN 0.131 nan 8.180 nan 0.000 0.515 292 G N -0.492 108.569 108.800 0.436 0.000 2.572 292 G HA2 -0.026 3.932 3.960 -0.004 0.000 0.216 292 G HA3 -0.026 3.932 3.960 -0.004 0.000 0.216 292 G C 1.063 175.975 174.900 0.020 0.000 1.133 292 G CA 0.849 46.059 45.100 0.184 0.000 0.791 292 G HN 0.291 nan 8.290 nan 0.000 0.538 293 E N -0.413 119.842 120.200 0.092 0.000 3.596 293 E HA 0.042 4.389 4.350 -0.004 0.000 0.188 293 E C 1.444 178.103 176.600 0.099 0.000 1.232 293 E CA -0.121 56.312 56.400 0.056 0.000 1.460 293 E CB 0.180 29.903 29.700 0.038 0.000 1.513 293 E HN -0.032 nan 8.360 nan 0.000 0.530 294 D N 1.299 121.753 120.400 0.090 0.000 2.123 294 D HA -0.129 4.509 4.640 -0.004 0.000 0.196 294 D C 1.608 178.019 176.300 0.186 0.000 0.992 294 D CA 1.280 55.340 54.000 0.101 0.000 0.833 294 D CB 0.141 40.959 40.800 0.030 0.000 0.954 294 D HN 0.133 nan 8.370 nan 0.000 0.455 295 L N -0.012 121.300 121.223 0.149 0.000 2.857 295 L HA 0.280 4.618 4.340 -0.004 0.000 0.249 295 L C 2.033 178.936 176.870 0.056 0.000 1.172 295 L CA -0.255 54.621 54.840 0.061 0.000 0.980 295 L CB 0.290 42.416 42.059 0.111 0.000 1.299 295 L HN -0.123 nan 8.230 nan 0.000 0.535 296 R N 0.947 121.556 120.500 0.182 0.000 2.117 296 R HA -0.215 4.122 4.340 -0.004 0.000 0.243 296 R C 2.435 178.799 176.300 0.106 0.000 1.143 296 R CA 2.056 58.269 56.100 0.189 0.000 0.968 296 R CB -0.224 30.112 30.300 0.060 0.000 0.863 296 R HN 0.578 nan 8.270 nan 0.000 0.444 297 H N -0.333 118.780 119.070 0.072 0.000 2.456 297 H HA -0.106 4.447 4.556 -0.004 0.000 0.296 297 H C 1.723 177.066 175.328 0.025 0.000 1.079 297 H CA 1.129 57.196 56.048 0.032 0.000 1.322 297 H CB -0.381 29.395 29.762 0.023 0.000 1.388 297 H HN 0.312 nan 8.280 nan 0.000 0.538 298 L N 0.130 121.108 121.223 -0.409 0.000 2.509 298 L HA 0.120 4.457 4.340 -0.004 0.000 0.222 298 L C 2.213 179.015 176.870 -0.112 0.000 1.123 298 L CA 0.166 54.868 54.840 -0.231 0.000 0.856 298 L CB 0.065 41.977 42.059 -0.245 0.000 0.985 298 L HN 0.176 nan 8.230 nan 0.000 0.456 299 I N -0.666 119.852 120.570 -0.087 0.000 2.729 299 I HA -0.104 4.064 4.170 -0.004 0.000 0.256 299 I C 2.291 178.133 176.117 -0.459 0.000 1.115 299 I CA 0.628 61.844 61.300 -0.140 0.000 1.446 299 I CB 0.039 38.053 38.000 0.022 0.000 1.176 299 I HN 0.064 nan 8.210 nan 0.000 0.446 300 V N -1.058 118.583 119.914 -0.455 0.000 3.078 300 V HA -0.091 4.027 4.120 -0.004 0.000 0.265 300 V C 2.075 177.820 176.094 -0.582 0.000 1.122 300 V CA 1.702 63.465 62.300 -0.895 0.000 1.141 300 V CB -0.985 30.672 31.823 -0.278 0.000 0.735 300 V HN 0.479 nan 8.190 nan 0.000 0.498 301 S N -0.791 114.726 115.700 -0.306 0.000 2.575 301 S HA 0.254 4.722 4.470 -0.004 0.000 0.215 301 S C 0.994 175.527 174.600 -0.112 0.000 0.966 301 S CA -0.431 57.682 58.200 -0.144 0.000 0.911 301 S CB -0.235 62.926 63.200 -0.065 0.000 0.780 301 S HN 0.672 nan 8.310 nan 0.000 0.514 302 R N 1.698 122.102 120.500 -0.161 0.000 2.615 302 R HA 0.450 4.788 4.340 -0.004 0.000 0.270 302 R C 0.327 176.648 176.300 0.035 0.000 1.081 302 R CA -0.136 55.934 56.100 -0.050 0.000 1.154 302 R CB 0.622 30.894 30.300 -0.046 0.000 1.063 302 R HN 0.271 nan 8.270 nan 0.000 0.519 303 S N -0.201 115.518 115.700 0.031 0.000 2.601 303 S HA 0.016 4.484 4.470 -0.004 0.000 0.271 303 S C 1.082 175.710 174.600 0.047 0.000 1.305 303 S CA -0.550 57.674 58.200 0.041 0.000 1.022 303 S CB 1.246 64.454 63.200 0.014 0.000 0.940 303 S HN 0.582 nan 8.310 nan 0.000 0.525 304 T N 3.369 117.945 114.554 0.037 0.000 2.803 304 T HA -0.108 4.239 4.350 -0.004 0.000 0.269 304 T C 1.372 176.057 174.700 -0.025 0.000 1.052 304 T CA 1.614 63.716 62.100 0.004 0.000 1.136 304 T CB -0.260 68.606 68.868 -0.004 0.000 0.864 304 T HN 0.621 nan 8.240 nan 0.000 0.467 305 Q N 0.162 119.948 119.800 -0.024 0.000 2.444 305 Q HA 0.420 4.758 4.340 -0.004 0.000 0.206 305 Q C 0.908 176.879 176.000 -0.048 0.000 0.948 305 Q CA 0.261 56.037 55.803 -0.045 0.000 0.946 305 Q CB 0.395 29.110 28.738 -0.039 0.000 1.027 305 Q HN 0.445 nan 8.270 nan 0.000 0.513 306 A N 0.914 123.714 122.820 -0.033 0.000 3.365 306 A HA 0.347 4.664 4.320 -0.004 0.000 0.258 306 A C -2.634 174.926 177.584 -0.039 0.000 0.964 306 A CA -1.144 50.873 52.037 -0.034 0.000 0.988 306 A CB 0.307 19.299 19.000 -0.013 0.000 1.193 306 A HN -0.023 nan 8.150 nan 0.000 0.508 307 P HA 0.230 nan 4.420 nan 0.000 0.272 307 P C -0.107 177.111 177.300 -0.137 0.000 1.230 307 P CA -0.203 62.851 63.100 -0.077 0.000 0.788 307 P CB 1.020 32.654 31.700 -0.110 0.000 0.949 308 L N 2.719 123.827 121.223 -0.191 0.000 2.367 308 L HA 0.265 4.602 4.340 -0.004 0.000 0.275 308 L C -0.284 176.371 176.870 -0.358 0.000 1.129 308 L CA 0.064 54.706 54.840 -0.331 0.000 0.839 308 L CB -0.598 41.160 42.059 -0.500 0.000 1.133 308 L HN 0.194 nan 8.230 nan 0.000 0.453 309 I N 6.875 127.233 120.570 -0.352 0.000 2.390 309 I HA 0.310 4.478 4.170 -0.004 0.000 0.283 309 I C -0.197 175.695 176.117 -0.375 0.000 1.016 309 I CA -0.368 60.741 61.300 -0.319 0.000 1.151 309 I CB 0.956 38.815 38.000 -0.235 0.000 1.293 309 I HN 0.519 nan 8.210 nan 0.000 0.458 310 I N 6.008 126.323 120.570 -0.425 0.000 2.496 310 I HA 0.197 4.365 4.170 -0.004 0.000 0.285 310 I C 0.605 176.579 176.117 -0.240 0.000 1.080 310 I CA -0.007 61.053 61.300 -0.401 0.000 1.404 310 I CB 0.597 38.341 38.000 -0.426 0.000 1.403 310 I HN 0.548 nan 8.210 nan 0.000 0.539 311 R N 8.769 129.166 120.500 -0.171 0.000 2.310 311 R HA 0.415 4.753 4.340 -0.004 0.000 0.316 311 R C -2.607 173.659 176.300 -0.057 0.000 1.004 311 R CA -1.648 54.388 56.100 -0.108 0.000 0.900 311 R CB 1.130 31.375 30.300 -0.090 0.000 1.152 311 R HN 0.264 nan 8.270 nan 0.000 0.513 312 P HA 0.157 nan 4.420 nan 0.000 0.274 312 P C -0.771 176.537 177.300 0.014 0.000 1.237 312 P CA -0.045 63.038 63.100 -0.027 0.000 0.793 312 P CB 1.035 32.707 31.700 -0.046 0.000 0.977 313 D N -1.081 119.344 120.400 0.042 0.000 2.783 313 D HA 0.159 4.796 4.640 -0.004 0.000 0.306 313 D C -0.928 175.411 176.300 0.064 0.000 1.633 313 D CA -0.033 54.020 54.000 0.088 0.000 0.796 313 D CB 0.015 40.918 40.800 0.172 0.000 1.230 313 D HN 0.369 nan 8.370 nan 0.000 0.441 314 S N -1.851 113.867 115.700 0.030 0.000 2.595 314 S HA 0.781 5.248 4.470 -0.004 0.000 0.270 314 S C 0.256 174.869 174.600 0.021 0.000 1.145 314 S CA -0.330 57.881 58.200 0.018 0.000 0.825 314 S CB 1.435 64.630 63.200 -0.008 0.000 1.107 314 S HN 0.759 nan 8.310 nan 0.000 0.461 315 G N 1.291 110.111 108.800 0.034 0.000 2.710 315 G HA2 -0.039 3.919 3.960 -0.004 0.000 0.668 315 G HA3 -0.039 3.919 3.960 -0.004 0.000 0.668 315 G C -0.595 174.340 174.900 0.060 0.000 1.320 315 G CA -0.312 44.823 45.100 0.058 0.000 0.860 315 G HN 1.354 nan 8.290 nan 0.000 0.538 316 N N 1.127 119.869 118.700 0.070 0.000 2.440 316 N HA 0.400 5.138 4.740 -0.004 0.000 0.265 316 N C -0.604 174.943 175.510 0.063 0.000 1.239 316 N CA -0.538 52.548 53.050 0.060 0.000 0.909 316 N CB 1.073 39.596 38.487 0.059 0.000 1.066 316 N HN 0.188 nan 8.380 nan 0.000 0.474 317 P HA -0.200 nan 4.420 nan 0.000 0.215 317 P C 1.458 178.796 177.300 0.063 0.000 1.157 317 P CA 0.856 63.992 63.100 0.061 0.000 0.868 317 P CB 0.173 31.910 31.700 0.061 0.000 0.788 318 L N -0.328 120.928 121.223 0.055 0.000 1.994 318 L HA -0.189 4.149 4.340 -0.004 0.000 0.208 318 L C 1.698 178.599 176.870 0.052 0.000 1.071 318 L CA 2.089 56.960 54.840 0.051 0.000 0.745 318 L CB -0.837 41.247 42.059 0.041 0.000 0.892 318 L HN -0.045 nan 8.230 nan 0.000 0.431 319 D N -0.680 119.755 120.400 0.058 0.000 2.123 319 D HA -0.169 4.469 4.640 -0.004 0.000 0.196 319 D C 2.050 178.404 176.300 0.090 0.000 0.992 319 D CA 1.772 55.810 54.000 0.063 0.000 0.833 319 D CB -0.241 40.598 40.800 0.065 0.000 0.954 319 D HN 0.348 nan 8.370 nan 0.000 0.455 320 T N 0.493 115.117 114.554 0.117 0.000 2.737 320 T HA -0.083 4.265 4.350 -0.004 0.000 0.265 320 T C 2.292 177.056 174.700 0.107 0.000 1.038 320 T CA 0.767 62.972 62.100 0.174 0.000 1.144 320 T CB -0.397 68.543 68.868 0.121 0.000 0.866 320 T HN -0.036 nan 8.240 nan 0.000 0.434 321 V N 1.771 121.706 119.914 0.035 0.000 2.287 321 V HA -0.151 3.966 4.120 -0.004 0.000 0.248 321 V C 2.532 178.573 176.094 -0.088 0.000 1.053 321 V CA 1.557 63.832 62.300 -0.042 0.000 1.027 321 V CB -0.740 31.054 31.823 -0.048 0.000 0.646 321 V HN 0.443 nan 8.190 nan 0.000 0.447 322 L N -0.303 120.896 121.223 -0.040 0.000 2.046 322 L HA -0.231 4.107 4.340 -0.004 0.000 0.208 322 L C 2.571 179.415 176.870 -0.043 0.000 1.077 322 L CA 2.116 56.924 54.840 -0.054 0.000 0.747 322 L CB -0.614 41.465 42.059 0.034 0.000 0.896 322 L HN 0.342 nan 8.230 nan 0.000 0.432 323 K N 0.035 120.445 120.400 0.016 0.000 2.103 323 K HA -0.105 4.213 4.320 -0.004 0.000 0.204 323 K C 2.032 178.675 176.600 0.071 0.000 1.052 323 K CA 0.831 57.129 56.287 0.019 0.000 0.945 323 K CB 0.111 32.573 32.500 -0.063 0.000 0.722 323 K HN 0.007 nan 8.250 nan 0.000 0.443 324 V N 1.787 121.766 119.914 0.108 0.000 2.332 324 V HA -0.268 3.849 4.120 -0.004 0.000 0.248 324 V C 2.270 178.314 176.094 -0.084 0.000 1.055 324 V CA 1.684 64.025 62.300 0.068 0.000 1.038 324 V CB -0.331 31.498 31.823 0.010 0.000 0.651 324 V HN 0.338 nan 8.190 nan 0.000 0.450 325 L N -0.336 120.719 121.223 -0.280 0.000 2.056 325 L HA -0.201 4.137 4.340 -0.004 0.000 0.207 325 L C 2.582 179.259 176.870 -0.322 0.000 1.078 325 L CA 1.970 56.429 54.840 -0.634 0.000 0.749 325 L CB -0.528 40.711 42.059 -1.367 0.000 0.901 325 L HN 0.437 nan 8.230 nan 0.000 0.433 326 E N 0.828 120.997 120.200 -0.052 0.000 2.077 326 E HA -0.233 4.114 4.350 -0.004 0.000 0.193 326 E C 2.297 178.996 176.600 0.165 0.000 0.989 326 E CA 1.250 57.766 56.400 0.192 0.000 0.800 326 E CB -0.029 29.769 29.700 0.163 0.000 0.746 326 E HN 0.442 nan 8.360 nan 0.000 0.452 327 I N 0.808 121.448 120.570 0.116 0.000 2.163 327 I HA -0.312 3.855 4.170 -0.004 0.000 0.243 327 I C 2.420 178.653 176.117 0.194 0.000 1.085 327 I CA 1.051 62.441 61.300 0.150 0.000 1.347 327 I CB -0.228 37.877 38.000 0.174 0.000 1.044 327 I HN 0.220 nan 8.210 nan 0.000 0.408 328 L N 0.258 121.588 121.223 0.179 0.000 2.093 328 L HA -0.112 4.226 4.340 -0.004 0.000 0.208 328 L C 2.645 179.726 176.870 0.351 0.000 1.085 328 L CA 1.398 56.410 54.840 0.287 0.000 0.755 328 L CB -1.119 41.000 42.059 0.101 0.000 0.904 328 L HN 0.323 nan 8.230 nan 0.000 0.435 329 G N -0.205 108.784 108.800 0.314 0.000 2.470 329 G HA2 -0.197 3.760 3.960 -0.004 0.000 0.220 329 G HA3 -0.197 3.760 3.960 -0.004 0.000 0.220 329 G C 1.692 176.757 174.900 0.274 0.000 1.121 329 G CA 0.453 45.800 45.100 0.412 0.000 0.766 329 G HN 0.169 nan 8.290 nan 0.000 0.553 330 K N 0.047 120.579 120.400 0.221 0.000 2.314 330 K HA 0.125 4.442 4.320 -0.004 0.000 0.198 330 K C 1.905 178.561 176.600 0.093 0.000 1.045 330 K CA 0.402 56.773 56.287 0.141 0.000 0.988 330 K CB 0.208 32.777 32.500 0.116 0.000 0.783 330 K HN 0.138 nan 8.250 nan 0.000 0.484 331 K N -0.368 120.094 120.400 0.103 0.000 2.348 331 K HA 0.216 4.534 4.320 -0.004 0.000 0.194 331 K C 0.390 176.785 176.600 -0.342 0.000 1.052 331 K CA 0.248 56.471 56.287 -0.106 0.000 1.004 331 K CB 0.365 32.794 32.500 -0.117 0.000 0.873 331 K HN -0.029 nan 8.250 nan 0.000 0.523 332 F N 1.454 121.481 119.950 0.129 0.000 2.579 332 F HA 0.333 4.858 4.527 -0.004 0.000 0.324 332 F C -2.087 173.784 175.800 0.118 0.000 1.058 332 F CA -2.646 55.440 58.000 0.144 0.000 0.944 332 F CB 1.530 40.624 39.000 0.158 0.000 1.245 332 F HN -0.239 nan 8.300 nan 0.000 0.477 333 P HA 0.131 nan 4.420 nan 0.000 0.271 333 P C -0.621 176.758 177.300 0.131 0.000 1.380 333 P CA 0.158 63.361 63.100 0.172 0.000 0.992 333 P CB 0.520 32.315 31.700 0.158 0.000 1.230 334 V N 4.469 124.457 119.914 0.124 0.000 2.649 334 V HA 0.260 4.377 4.120 -0.004 0.000 0.292 334 V C 1.313 177.428 176.094 0.035 0.000 1.055 334 V CA 0.180 62.536 62.300 0.094 0.000 1.023 334 V CB 1.186 33.072 31.823 0.105 0.000 0.992 334 V HN 0.626 nan 8.190 nan 0.000 0.480 335 T N 1.269 115.834 114.554 0.018 0.000 2.938 335 T HA 0.622 4.969 4.350 -0.004 0.000 0.285 335 T C -0.569 174.117 174.700 -0.024 0.000 1.028 335 T CA -0.795 61.304 62.100 -0.002 0.000 1.005 335 T CB 2.024 70.894 68.868 0.002 0.000 1.157 335 T HN 0.711 nan 8.240 nan 0.000 0.550 336 E N 1.410 121.594 120.200 -0.027 0.000 2.165 336 E HA 0.330 4.678 4.350 -0.004 0.000 0.266 336 E C -0.275 176.322 176.600 -0.005 0.000 0.889 336 E CA -0.904 55.475 56.400 -0.036 0.000 0.756 336 E CB 0.910 30.573 29.700 -0.063 0.000 1.131 336 E HN 0.732 nan 8.360 nan 0.000 0.411 337 N N 2.028 120.744 118.700 0.026 0.000 2.322 337 N HA -0.062 4.675 4.740 -0.004 0.000 0.270 337 N C 0.771 176.306 175.510 0.042 0.000 1.286 337 N CA 0.311 53.386 53.050 0.041 0.000 0.948 337 N CB 0.563 39.089 38.487 0.066 0.000 1.164 337 N HN 0.392 nan 8.380 nan 0.000 0.551 338 S N -1.741 113.984 115.700 0.042 0.000 2.507 338 S HA -0.011 4.456 4.470 -0.004 0.000 0.235 338 S C 0.998 175.628 174.600 0.051 0.000 0.988 338 S CA 0.411 58.631 58.200 0.033 0.000 0.944 338 S CB -0.211 63.004 63.200 0.025 0.000 0.762 338 S HN 0.470 nan 8.310 nan 0.000 0.526 339 K N 0.896 121.356 120.400 0.100 0.000 2.426 339 K HA 0.296 4.613 4.320 -0.004 0.000 0.193 339 K C 1.413 178.102 176.600 0.147 0.000 1.028 339 K CA 0.518 56.906 56.287 0.169 0.000 1.047 339 K CB -0.506 32.155 32.500 0.269 0.000 0.821 339 K HN 0.589 nan 8.250 nan 0.000 0.513 340 G N 0.659 109.487 108.800 0.047 0.000 2.141 340 G HA2 -0.273 3.684 3.960 -0.004 0.000 0.231 340 G HA3 -0.273 3.684 3.960 -0.004 0.000 0.231 340 G C -0.402 174.338 174.900 -0.265 0.000 0.984 340 G CA -0.154 44.873 45.100 -0.121 0.000 0.660 340 G HN 0.236 nan 8.290 nan 0.000 0.525 341 Y N 0.645 120.914 120.300 -0.052 0.000 2.387 341 Y HA 0.578 5.126 4.550 -0.004 0.000 0.330 341 Y C 1.069 176.904 175.900 -0.109 0.000 1.133 341 Y CA -0.723 57.334 58.100 -0.073 0.000 1.152 341 Y CB 1.061 39.517 38.460 -0.007 0.000 1.215 341 Y HN 0.022 nan 8.280 nan 0.000 0.466 342 K N 2.454 122.791 120.400 -0.105 0.000 2.326 342 K HA 0.370 4.688 4.320 -0.004 0.000 0.275 342 K C -1.345 175.282 176.600 0.046 0.000 1.018 342 K CA -0.355 55.798 56.287 -0.222 0.000 0.962 342 K CB 0.609 32.614 32.500 -0.824 0.000 0.953 342 K HN 0.336 nan 8.250 nan 0.000 0.475 343 L N 4.103 125.371 121.223 0.075 0.000 2.439 343 L HA 0.337 4.675 4.340 -0.004 0.000 0.270 343 L C -1.083 175.862 176.870 0.125 0.000 0.972 343 L CA -0.457 54.463 54.840 0.134 0.000 0.836 343 L CB 1.365 43.463 42.059 0.064 0.000 1.255 343 L HN 0.544 nan 8.230 nan 0.000 0.404 344 L N 5.865 127.171 121.223 0.139 0.000 2.473 344 L HA 0.359 4.696 4.340 -0.004 0.000 0.268 344 L C -1.707 175.088 176.870 -0.125 0.000 1.215 344 L CA -1.660 53.198 54.840 0.029 0.000 0.823 344 L CB 0.061 42.087 42.059 -0.055 0.000 1.099 344 L HN 0.518 nan 8.230 nan 0.000 0.483 345 P HA 0.019 nan 4.420 nan 0.000 0.268 345 P C -2.163 174.783 177.300 -0.591 0.000 1.208 345 P CA -1.252 61.549 63.100 -0.499 0.000 0.777 345 P CB -0.226 30.933 31.700 -0.902 0.000 0.875 346 P HA -0.141 nan 4.420 nan 0.000 0.225 346 P C 0.848 178.008 177.300 -0.233 0.000 1.148 346 P CA 1.499 64.444 63.100 -0.260 0.000 0.779 346 P CB -0.474 31.148 31.700 -0.131 0.000 0.780 347 Y N -1.561 118.685 120.300 -0.091 0.000 2.490 347 Y HA 0.524 5.071 4.550 -0.004 0.000 0.281 347 Y C 0.482 176.254 175.900 -0.214 0.000 1.174 347 Y CA -1.284 56.741 58.100 -0.125 0.000 1.295 347 Y CB -0.719 37.688 38.460 -0.088 0.000 1.062 347 Y HN -0.212 nan 8.280 nan 0.000 0.522 348 L N 1.679 122.756 121.223 -0.244 0.000 2.439 348 L HA 0.665 5.002 4.340 -0.004 0.000 0.270 348 L C -1.279 175.414 176.870 -0.295 0.000 0.972 348 L CA -1.042 53.617 54.840 -0.301 0.000 0.836 348 L CB 1.427 43.214 42.059 -0.453 0.000 1.255 348 L HN 0.007 nan 8.230 nan 0.000 0.404 349 R N 2.921 123.249 120.500 -0.286 0.000 2.869 349 R HA 0.834 5.172 4.340 -0.004 0.000 0.263 349 R C -1.599 174.534 176.300 -0.278 0.000 1.066 349 R CA -0.862 55.090 56.100 -0.247 0.000 0.960 349 R CB 2.264 32.444 30.300 -0.200 0.000 1.221 349 R HN 0.387 nan 8.270 nan 0.000 0.474 350 V N 1.578 121.334 119.914 -0.263 0.000 2.789 350 V HA 0.567 4.685 4.120 -0.004 0.000 0.311 350 V C -0.369 175.555 176.094 -0.283 0.000 1.073 350 V CA -0.868 61.269 62.300 -0.272 0.000 0.921 350 V CB 2.511 34.168 31.823 -0.276 0.000 1.009 350 V HN 0.630 nan 8.190 nan 0.000 0.426 351 I N 3.217 123.635 120.570 -0.253 0.000 2.466 351 I HA 0.575 4.743 4.170 -0.004 0.000 0.289 351 I C -0.853 175.136 176.117 -0.213 0.000 1.026 351 I CA -0.618 60.523 61.300 -0.264 0.000 1.078 351 I CB 1.941 39.834 38.000 -0.179 0.000 1.249 351 I HN 0.781 nan 8.210 nan 0.000 0.429 352 Q N 5.532 125.161 119.800 -0.285 0.000 2.340 352 Q HA 0.543 4.880 4.340 -0.004 0.000 0.259 352 Q C -0.122 175.863 176.000 -0.025 0.000 0.964 352 Q CA -0.219 55.512 55.803 -0.121 0.000 0.900 352 Q CB 1.695 30.372 28.738 -0.102 0.000 1.228 352 Q HN 0.770 nan 8.270 nan 0.000 0.449 353 G N 2.979 111.812 108.800 0.055 0.000 3.596 353 G HA2 0.096 4.053 3.960 -0.004 0.000 0.274 353 G HA3 0.096 4.053 3.960 -0.004 0.000 0.274 353 G C -0.642 174.362 174.900 0.173 0.000 1.007 353 G CA -0.217 44.943 45.100 0.101 0.000 0.825 353 G HN 0.611 nan 8.290 nan 0.000 0.508 354 D N -0.489 119.984 120.400 0.122 0.000 2.217 354 D HA 0.460 5.098 4.640 -0.004 0.000 0.243 354 D C 1.190 177.536 176.300 0.078 0.000 1.054 354 D CA 0.424 54.488 54.000 0.106 0.000 0.838 354 D CB 1.136 41.988 40.800 0.087 0.000 1.162 354 D HN 0.256 nan 8.370 nan 0.000 0.472 355 G N 2.298 111.138 108.800 0.066 0.000 2.198 355 G HA2 -0.206 3.752 3.960 -0.004 0.000 0.260 355 G HA3 -0.206 3.752 3.960 -0.004 0.000 0.260 355 G C 0.058 174.975 174.900 0.028 0.000 1.025 355 G CA 0.331 45.458 45.100 0.045 0.000 0.769 355 G HN 0.539 nan 8.290 nan 0.000 0.507 356 V N 1.740 121.667 119.914 0.022 0.000 2.406 356 V HA 0.588 4.705 4.120 -0.004 0.000 0.272 356 V C 0.279 176.343 176.094 -0.050 0.000 1.043 356 V CA 0.243 62.530 62.300 -0.022 0.000 0.915 356 V CB 1.307 33.119 31.823 -0.019 0.000 0.988 356 V HN 0.644 nan 8.190 nan 0.000 0.466 357 D N 3.218 123.578 120.400 -0.067 0.000 2.744 357 D HA 0.255 4.892 4.640 -0.004 0.000 0.304 357 D C 0.952 177.201 176.300 -0.085 0.000 1.179 357 D CA -0.866 53.101 54.000 -0.055 0.000 1.024 357 D CB 1.142 41.937 40.800 -0.008 0.000 1.453 357 D HN 0.279 nan 8.370 nan 0.000 0.529 358 I N -0.014 120.532 120.570 -0.040 0.000 2.335 358 I HA -0.261 3.907 4.170 -0.004 0.000 0.251 358 I C 1.058 177.130 176.117 -0.076 0.000 1.129 358 I CA 1.358 62.627 61.300 -0.052 0.000 1.402 358 I CB -0.112 37.902 38.000 0.024 0.000 1.069 358 I HN 0.244 nan 8.210 nan 0.000 0.424 359 N N 0.291 118.963 118.700 -0.046 0.000 2.135 359 N HA -0.148 4.589 4.740 -0.004 0.000 0.186 359 N C 1.892 177.358 175.510 -0.072 0.000 1.027 359 N CA 2.167 55.190 53.050 -0.046 0.000 0.849 359 N CB -0.790 37.689 38.487 -0.014 0.000 1.002 359 N HN 0.504 nan 8.380 nan 0.000 0.425 360 T N -0.085 114.424 114.554 -0.074 0.000 2.904 360 T HA 0.005 4.353 4.350 -0.004 0.000 0.267 360 T C 2.107 176.711 174.700 -0.160 0.000 1.059 360 T CA 0.359 62.411 62.100 -0.079 0.000 1.137 360 T CB -0.482 68.362 68.868 -0.041 0.000 0.879 360 T HN 0.102 nan 8.240 nan 0.000 0.467 361 L N 0.698 121.761 121.223 -0.267 0.000 2.012 361 L HA -0.152 4.185 4.340 -0.004 0.000 0.210 361 L C 2.952 179.580 176.870 -0.404 0.000 1.073 361 L CA 2.084 56.609 54.840 -0.526 0.000 0.748 361 L CB -0.513 41.188 42.059 -0.598 0.000 0.891 361 L HN 0.303 nan 8.230 nan 0.000 0.431 362 Q N 0.358 119.999 119.800 -0.266 0.000 2.061 362 Q HA -0.282 4.056 4.340 -0.004 0.000 0.204 362 Q C 1.911 177.782 176.000 -0.215 0.000 0.984 362 Q CA 2.358 58.023 55.803 -0.230 0.000 0.846 362 Q CB -0.250 28.415 28.738 -0.123 0.000 0.902 362 Q HN 0.602 nan 8.270 nan 0.000 0.421 363 E N -0.164 119.955 120.200 -0.135 0.000 2.085 363 E HA -0.179 4.169 4.350 -0.004 0.000 0.194 363 E C 2.097 178.652 176.600 -0.076 0.000 0.994 363 E CA 1.483 57.834 56.400 -0.081 0.000 0.801 363 E CB -0.249 29.427 29.700 -0.040 0.000 0.743 363 E HN 0.473 nan 8.360 nan 0.000 0.453 364 I N 1.062 121.589 120.570 -0.072 0.000 2.179 364 I HA -0.240 3.928 4.170 -0.004 0.000 0.242 364 I C 2.687 178.795 176.117 -0.015 0.000 1.088 364 I CA 1.038 62.346 61.300 0.013 0.000 1.357 364 I CB -0.494 37.601 38.000 0.158 0.000 1.051 364 I HN 0.076 nan 8.210 nan 0.000 0.409 365 V N -0.906 118.918 119.914 -0.151 0.000 2.427 365 V HA -0.212 3.906 4.120 -0.004 0.000 0.248 365 V C 2.385 178.246 176.094 -0.389 0.000 1.051 365 V CA 1.988 64.129 62.300 -0.266 0.000 1.048 365 V CB -0.834 30.723 31.823 -0.444 0.000 0.666 365 V HN 0.380 nan 8.190 nan 0.000 0.456 366 E N 2.228 122.153 120.200 -0.459 0.000 2.077 366 E HA -0.036 4.312 4.350 -0.004 0.000 0.193 366 E C 2.160 178.791 176.600 0.050 0.000 0.989 366 E CA 2.018 58.346 56.400 -0.121 0.000 0.800 366 E CB -1.108 28.567 29.700 -0.042 0.000 0.746 366 E HN 0.579 nan 8.360 nan 0.000 0.452 367 G N 0.155 108.972 108.800 0.027 0.000 2.408 367 G HA2 -0.242 3.715 3.960 -0.004 0.000 0.217 367 G HA3 -0.242 3.715 3.960 -0.004 0.000 0.217 367 G C 1.655 176.638 174.900 0.140 0.000 1.150 367 G CA 0.993 46.141 45.100 0.081 0.000 0.776 367 G HN 0.250 nan 8.290 nan 0.000 0.542 368 M N 0.128 119.811 119.600 0.139 0.000 2.086 368 M HA -0.040 4.438 4.480 -0.004 0.000 0.261 368 M C 2.542 179.031 176.300 0.315 0.000 1.067 368 M CA 1.699 57.141 55.300 0.237 0.000 1.116 368 M CB -0.245 32.467 32.600 0.186 0.000 1.348 368 M HN 0.212 nan 8.290 nan 0.000 0.407 369 K N 0.429 120.990 120.400 0.267 0.000 2.057 369 K HA -0.213 4.104 4.320 -0.004 0.000 0.207 369 K C 1.842 178.647 176.600 0.341 0.000 1.049 369 K CA 1.567 58.065 56.287 0.351 0.000 0.931 369 K CB -0.052 32.666 32.500 0.363 0.000 0.714 369 K HN 0.426 nan 8.250 nan 0.000 0.440 370 Q N -0.034 119.910 119.800 0.239 0.000 2.170 370 Q HA -0.071 4.266 4.340 -0.004 0.000 0.203 370 Q C 1.151 177.241 176.000 0.150 0.000 0.976 370 Q CA 1.040 56.947 55.803 0.174 0.000 0.858 370 Q CB 0.220 29.039 28.738 0.134 0.000 0.907 370 Q HN 0.095 nan 8.270 nan 0.000 0.433 371 K N -0.111 120.410 120.400 0.202 0.000 2.437 371 K HA 0.120 4.438 4.320 -0.004 0.000 0.198 371 K C 0.018 176.663 176.600 0.076 0.000 1.024 371 K CA -0.006 56.392 56.287 0.186 0.000 1.148 371 K CB 0.675 33.372 32.500 0.328 0.000 0.860 371 K HN 0.209 nan 8.250 nan 0.000 0.515 372 M N -1.424 118.240 119.600 0.107 0.000 2.732 372 M HA -0.196 4.282 4.480 -0.004 0.000 0.207 372 M C -1.119 175.184 176.300 0.006 0.000 0.513 372 M CA 0.839 56.125 55.300 -0.022 0.000 0.652 372 M CB -2.626 29.796 32.600 -0.298 0.000 2.410 372 M HN 0.185 nan 8.290 nan 0.000 0.660 373 W N 0.632 122.097 121.300 0.275 0.000 2.361 373 W HA 0.559 5.217 4.660 -0.004 0.000 0.309 373 W C 0.984 177.619 176.519 0.193 0.000 1.122 373 W CA -0.301 57.161 57.345 0.196 0.000 1.208 373 W CB 1.139 30.661 29.460 0.104 0.000 1.246 373 W HN 0.233 nan 8.180 nan 0.000 0.490 374 S N 3.316 119.248 115.700 0.387 0.000 2.560 374 S HA 0.035 4.502 4.470 -0.004 0.000 0.284 374 S C 1.191 175.876 174.600 0.142 0.000 1.327 374 S CA -0.437 57.864 58.200 0.168 0.000 1.055 374 S CB 0.425 63.712 63.200 0.145 0.000 0.868 374 S HN 0.408 nan 8.310 nan 0.000 0.506 375 I N 3.981 124.590 120.570 0.065 0.000 2.916 375 I HA -0.051 4.116 4.170 -0.004 0.000 0.267 375 I C 2.057 178.207 176.117 0.056 0.000 1.263 375 I CA 0.965 62.314 61.300 0.082 0.000 1.471 375 I CB -1.684 36.384 38.000 0.112 0.000 1.089 375 I HN 0.763 nan 8.210 nan 0.000 0.468 376 E N 0.972 121.200 120.200 0.047 0.000 2.171 376 E HA -0.213 4.134 4.350 -0.004 0.000 0.197 376 E C 1.600 178.200 176.600 -0.000 0.000 0.997 376 E CA 0.949 57.366 56.400 0.028 0.000 0.810 376 E CB -0.120 29.597 29.700 0.029 0.000 0.738 376 E HN 0.528 nan 8.360 nan 0.000 0.467 377 N N 0.179 118.886 118.700 0.012 0.000 2.459 377 N HA -0.008 4.730 4.740 -0.004 0.000 0.181 377 N C 0.327 175.756 175.510 -0.134 0.000 1.046 377 N CA 0.551 53.576 53.050 -0.043 0.000 0.904 377 N CB 0.401 38.891 38.487 0.004 0.000 0.964 377 N HN 0.134 nan 8.380 nan 0.000 0.444 378 I N -0.307 120.175 120.570 -0.147 0.000 2.785 378 I HA 0.545 4.712 4.170 -0.004 0.000 0.302 378 I C -1.177 174.744 176.117 -0.327 0.000 1.069 378 I CA -0.793 60.325 61.300 -0.304 0.000 1.045 378 I CB 1.990 39.753 38.000 -0.396 0.000 1.236 378 I HN -0.108 nan 8.210 nan 0.000 0.429 379 A N 4.891 127.428 122.820 -0.473 0.000 2.532 379 A HA 0.872 5.190 4.320 -0.004 0.000 0.290 379 A C -1.765 175.384 177.584 -0.725 0.000 1.143 379 A CA -0.426 51.372 52.037 -0.399 0.000 0.728 379 A CB 0.952 19.864 19.000 -0.146 0.000 1.317 379 A HN 0.500 nan 8.150 nan 0.000 0.414 380 F N -0.539 119.324 119.950 -0.145 0.000 2.577 380 F HA 0.670 5.195 4.527 -0.004 0.000 0.318 380 F C 0.811 176.383 175.800 -0.380 0.000 1.065 380 F CA -0.335 57.531 58.000 -0.223 0.000 0.929 380 F CB 2.645 41.524 39.000 -0.202 0.000 1.237 380 F HN 0.762 nan 8.300 nan 0.000 0.468 381 G N 0.122 108.669 108.800 -0.421 0.000 2.452 381 G HA2 0.540 4.497 3.960 -0.004 0.000 0.324 381 G HA3 0.540 4.497 3.960 -0.004 0.000 0.324 381 G C -1.587 172.928 174.900 -0.641 0.000 1.214 381 G CA -0.726 43.657 45.100 -1.196 0.000 0.947 381 G HN 0.616 nan 8.290 nan 0.000 0.478 382 S N 0.081 115.475 115.700 -0.511 0.000 2.572 382 S HA 0.706 5.174 4.470 -0.004 0.000 0.274 382 S C 0.606 175.173 174.600 -0.056 0.000 1.150 382 S CA 0.209 58.296 58.200 -0.189 0.000 0.944 382 S CB 1.440 64.526 63.200 -0.191 0.000 1.071 382 S HN 1.063 nan 8.310 nan 0.000 0.479 383 G N 2.923 111.764 108.800 0.068 0.000 2.495 383 G HA2 0.355 4.313 3.960 -0.004 0.000 0.219 383 G HA3 0.355 4.313 3.960 -0.004 0.000 0.219 383 G C 1.314 176.255 174.900 0.069 0.000 1.875 383 G CA 0.514 45.684 45.100 0.117 0.000 0.757 383 G HN 1.010 nan 8.290 nan 0.000 0.682 384 G N 0.781 109.628 108.800 0.079 0.000 2.440 384 G HA2 0.047 4.005 3.960 -0.004 0.000 0.218 384 G HA3 0.047 4.005 3.960 -0.004 0.000 0.218 384 G C 1.760 176.696 174.900 0.059 0.000 1.154 384 G CA 1.633 46.776 45.100 0.072 0.000 0.767 384 G HN 0.740 nan 8.290 nan 0.000 0.552 385 G N 0.369 109.191 108.800 0.037 0.000 2.450 385 G HA2 -0.104 3.853 3.960 -0.004 0.000 0.220 385 G HA3 -0.104 3.853 3.960 -0.004 0.000 0.220 385 G C 1.684 176.592 174.900 0.013 0.000 1.130 385 G CA 1.076 46.190 45.100 0.023 0.000 0.760 385 G HN 0.412 nan 8.290 nan 0.000 0.557 386 L N -0.616 120.596 121.223 -0.019 0.000 2.168 386 L HA 0.400 4.737 4.340 -0.004 0.000 0.203 386 L C 2.263 179.124 176.870 -0.013 0.000 1.078 386 L CA 1.221 56.022 54.840 -0.064 0.000 0.780 386 L CB 0.028 41.972 42.059 -0.191 0.000 0.939 386 L HN 0.159 nan 8.230 nan 0.000 0.451 387 L N -1.870 119.378 121.223 0.041 0.000 2.749 387 L HA 0.214 4.552 4.340 -0.004 0.000 0.242 387 L C 1.699 178.715 176.870 0.243 0.000 1.103 387 L CA 0.151 55.067 54.840 0.127 0.000 0.906 387 L CB 0.359 42.486 42.059 0.114 0.000 1.228 387 L HN 0.280 nan 8.230 nan 0.000 0.517 388 Q N 0.599 120.502 119.800 0.172 0.000 2.471 388 Q HA 0.064 4.402 4.340 -0.004 0.000 0.259 388 Q C 1.066 177.167 176.000 0.168 0.000 0.850 388 Q CA 0.563 56.466 55.803 0.167 0.000 0.981 388 Q CB 0.601 29.404 28.738 0.108 0.000 1.180 388 Q HN 0.049 nan 8.270 nan 0.000 0.571 389 K N 1.307 121.787 120.400 0.133 0.000 2.751 389 K HA 0.306 4.624 4.320 -0.004 0.000 0.252 389 K C -1.249 175.429 176.600 0.130 0.000 1.277 389 K CA 0.024 56.377 56.287 0.111 0.000 1.226 389 K CB -0.631 31.916 32.500 0.078 0.000 1.658 389 K HN 0.154 nan 8.250 nan 0.000 0.303 390 L N 0.618 121.960 121.223 0.198 0.000 2.505 390 L HA 0.393 4.730 4.340 -0.004 0.000 0.259 390 L C -0.340 176.717 176.870 0.313 0.000 0.952 390 L CA -0.861 54.128 54.840 0.248 0.000 0.840 390 L CB 2.423 44.687 42.059 0.341 0.000 1.358 390 L HN 0.298 nan 8.230 nan 0.000 0.409 391 T N -2.593 112.019 114.554 0.095 0.000 2.864 391 T HA 0.379 4.727 4.350 -0.004 0.000 0.289 391 T C 0.523 174.762 174.700 -0.768 0.000 1.082 391 T CA -0.795 61.108 62.100 -0.328 0.000 1.009 391 T CB 2.076 70.794 68.868 -0.249 0.000 1.234 391 T HN 0.667 nan 8.240 nan 0.000 0.526 392 R N -0.182 119.463 120.500 -1.425 0.000 2.237 392 R HA -0.042 4.295 4.340 -0.004 0.000 0.219 392 R C 0.632 176.668 176.300 -0.439 0.000 1.080 392 R CA 1.425 56.795 56.100 -1.216 0.000 0.995 392 R CB -0.299 29.207 30.300 -1.322 0.000 0.875 392 R HN 0.643 nan 8.270 nan 0.000 0.462 393 D N 0.365 120.560 120.400 -0.341 0.000 2.348 393 D HA -0.095 4.543 4.640 -0.004 0.000 0.211 393 D C 1.658 177.887 176.300 -0.118 0.000 0.998 393 D CA 0.189 54.078 54.000 -0.185 0.000 0.873 393 D CB 0.233 40.939 40.800 -0.156 0.000 0.925 393 D HN 0.197 nan 8.370 nan 0.000 0.524 394 L N 0.468 121.618 121.223 -0.122 0.000 2.046 394 L HA -0.097 4.241 4.340 -0.004 0.000 0.208 394 L C 1.711 178.515 176.870 -0.110 0.000 1.077 394 L CA 1.641 56.410 54.840 -0.118 0.000 0.747 394 L CB -0.158 41.801 42.059 -0.167 0.000 0.896 394 L HN -0.041 nan 8.230 nan 0.000 0.432 395 L N -0.662 120.522 121.223 -0.065 0.000 2.769 395 L HA 0.217 4.554 4.340 -0.004 0.000 0.240 395 L C 0.503 177.362 176.870 -0.017 0.000 1.163 395 L CA -0.126 54.707 54.840 -0.012 0.000 0.962 395 L CB -0.334 41.753 42.059 0.047 0.000 1.258 395 L HN 0.335 nan 8.230 nan 0.000 0.513 396 N N 0.714 119.382 118.700 -0.053 0.000 2.725 396 N HA -0.183 4.554 4.740 -0.004 0.000 0.251 396 N C -0.379 175.055 175.510 -0.126 0.000 1.031 396 N CA 0.261 53.263 53.050 -0.080 0.000 0.720 396 N CB -1.435 37.020 38.487 -0.052 0.000 0.930 396 N HN 0.283 nan 8.380 nan 0.000 0.543 397 C N 0.565 119.790 119.300 -0.125 0.000 2.632 397 C HA 0.622 5.079 4.460 -0.004 0.000 0.415 397 C C 0.784 175.592 174.990 -0.304 0.000 1.332 397 C CA -0.302 58.565 59.018 -0.253 0.000 1.874 397 C CB 0.157 27.941 27.740 0.073 0.000 2.596 397 C HN 0.527 nan 8.230 nan 0.000 0.590 398 S N 1.418 116.792 115.700 -0.543 0.000 2.550 398 S HA 0.665 5.133 4.470 -0.004 0.000 0.270 398 S C -1.223 173.171 174.600 -0.344 0.000 1.145 398 S CA -0.458 57.565 58.200 -0.296 0.000 0.852 398 S CB 1.401 64.471 63.200 -0.216 0.000 1.119 398 S HN 0.646 nan 8.310 nan 0.000 0.465 399 F N 2.353 122.147 119.950 -0.260 0.000 2.518 399 F HA 0.702 5.226 4.527 -0.004 0.000 0.323 399 F C -0.974 174.699 175.800 -0.212 0.000 1.129 399 F CA -0.383 57.475 58.000 -0.236 0.000 0.920 399 F CB 0.838 39.873 39.000 0.059 0.000 1.160 399 F HN 0.269 nan 8.300 nan 0.000 0.440 400 K N 5.113 125.179 120.400 -0.557 0.000 2.502 400 K HA 0.296 4.614 4.320 -0.004 0.000 0.257 400 K C -1.431 175.069 176.600 -0.166 0.000 0.938 400 K CA -0.689 55.460 56.287 -0.231 0.000 0.819 400 K CB 1.687 34.094 32.500 -0.155 0.000 1.333 400 K HN 0.732 nan 8.250 nan 0.000 0.434 401 C N 2.256 121.593 119.300 0.061 0.000 2.576 401 C HA 0.231 4.689 4.460 -0.004 0.000 0.401 401 C C 1.568 176.713 174.990 0.258 0.000 1.314 401 C CA 0.309 59.425 59.018 0.164 0.000 1.855 401 C CB -1.255 26.606 27.740 0.202 0.000 2.537 401 C HN 0.850 nan 8.230 nan 0.000 0.578 402 S N 3.574 119.495 115.700 0.368 0.000 2.559 402 S HA 0.237 4.705 4.470 -0.004 0.000 0.226 402 S C -0.324 174.507 174.600 0.385 0.000 1.030 402 S CA -0.158 58.269 58.200 0.379 0.000 0.956 402 S CB 0.064 63.471 63.200 0.345 0.000 0.900 402 S HN 0.939 nan 8.310 nan 0.000 0.510 403 Y N 1.262 121.694 120.300 0.221 0.000 2.480 403 Y HA 0.561 5.108 4.550 -0.004 0.000 0.329 403 Y C -1.421 174.544 175.900 0.107 0.000 1.127 403 Y CA -1.139 57.014 58.100 0.088 0.000 1.037 403 Y CB 1.882 40.265 38.460 -0.128 0.000 1.320 403 Y HN 0.300 nan 8.280 nan 0.000 0.446 404 V N 2.539 122.144 119.914 -0.515 0.000 3.114 404 V HA 0.902 5.019 4.120 -0.004 0.000 0.308 404 V C -1.865 173.864 176.094 -0.608 0.000 1.168 404 V CA -1.051 61.015 62.300 -0.391 0.000 1.015 404 V CB 1.600 33.331 31.823 -0.154 0.000 1.050 404 V HN 0.592 nan 8.190 nan 0.000 0.433 405 V N 1.814 121.515 119.914 -0.356 0.000 2.444 405 V HA 0.720 4.838 4.120 -0.004 0.000 0.294 405 V C -0.012 175.985 176.094 -0.163 0.000 1.022 405 V CA 0.038 62.185 62.300 -0.256 0.000 0.850 405 V CB 1.683 33.416 31.823 -0.150 0.000 0.992 405 V HN 1.130 nan 8.190 nan 0.000 0.426 406 T N 4.073 118.546 114.554 -0.135 0.000 2.881 406 T HA 0.401 4.749 4.350 -0.004 0.000 0.290 406 T C 0.220 174.873 174.700 -0.079 0.000 1.000 406 T CA -0.553 61.482 62.100 -0.108 0.000 0.978 406 T CB 1.078 69.889 68.868 -0.095 0.000 0.997 406 T HN 0.677 nan 8.240 nan 0.000 0.443 407 N N 1.702 120.359 118.700 -0.071 0.000 2.721 407 N HA -0.239 4.499 4.740 -0.004 0.000 0.249 407 N C 1.147 176.633 175.510 -0.040 0.000 1.072 407 N CA 1.515 54.535 53.050 -0.050 0.000 0.710 407 N CB -1.240 37.222 38.487 -0.042 0.000 0.993 407 N HN 1.366 nan 8.380 nan 0.000 0.547 408 G N -1.913 106.861 108.800 -0.042 0.000 2.189 408 G HA2 -0.313 3.645 3.960 -0.004 0.000 0.267 408 G HA3 -0.313 3.645 3.960 -0.004 0.000 0.267 408 G C -0.169 174.716 174.900 -0.025 0.000 0.975 408 G CA 0.473 45.557 45.100 -0.027 0.000 0.644 408 G HN 0.396 nan 8.290 nan 0.000 0.537 409 L N 1.425 122.623 121.223 -0.042 0.000 2.313 409 L HA 0.681 5.018 4.340 -0.004 0.000 0.283 409 L C 0.983 177.807 176.870 -0.077 0.000 1.013 409 L CA 0.289 55.107 54.840 -0.036 0.000 0.816 409 L CB 0.963 43.002 42.059 -0.033 0.000 1.236 409 L HN 0.214 nan 8.230 nan 0.000 0.419 410 G N 5.296 114.068 108.800 -0.047 0.000 2.390 410 G HA2 0.482 4.439 3.960 -0.004 0.000 0.270 410 G HA3 0.482 4.439 3.960 -0.004 0.000 0.270 410 G C -0.751 174.092 174.900 -0.095 0.000 1.211 410 G CA -0.279 44.731 45.100 -0.150 0.000 0.842 410 G HN 0.597 nan 8.290 nan 0.000 0.519 411 I N 1.499 121.918 120.570 -0.253 0.000 2.582 411 I HA 0.326 4.494 4.170 -0.004 0.000 0.292 411 I C -1.204 174.934 176.117 0.034 0.000 1.066 411 I CA -1.238 60.029 61.300 -0.056 0.000 1.053 411 I CB 2.069 40.033 38.000 -0.061 0.000 1.241 411 I HN 0.274 nan 8.210 nan 0.000 0.421 412 N N 7.254 126.054 118.700 0.166 0.000 2.422 412 N HA 0.400 5.138 4.740 -0.004 0.000 0.264 412 N C -0.545 175.127 175.510 0.269 0.000 1.063 412 N CA -0.179 53.015 53.050 0.240 0.000 0.959 412 N CB 1.680 40.269 38.487 0.171 0.000 1.087 412 N HN 0.447 nan 8.380 nan 0.000 0.483 413 V N -0.341 119.749 119.914 0.294 0.000 3.074 413 V HA 0.966 5.083 4.120 -0.004 0.000 0.314 413 V C -0.626 175.723 176.094 0.425 0.000 1.117 413 V CA -0.955 61.520 62.300 0.292 0.000 1.014 413 V CB 1.635 33.524 31.823 0.111 0.000 1.057 413 V HN 0.576 nan 8.190 nan 0.000 0.438 414 F N -0.618 119.379 119.950 0.078 0.000 2.842 414 F HA 0.771 5.296 4.527 -0.004 0.000 0.319 414 F C -1.103 174.733 175.800 0.061 0.000 1.159 414 F CA -1.216 56.833 58.000 0.083 0.000 0.902 414 F CB 1.365 40.406 39.000 0.068 0.000 1.311 414 F HN 0.823 nan 8.300 nan 0.000 0.453 415 K N 0.178 120.602 120.400 0.040 0.000 2.221 415 K HA 0.732 5.050 4.320 -0.004 0.000 0.243 415 K C -1.833 174.872 176.600 0.175 0.000 0.968 415 K CA -0.757 55.504 56.287 -0.044 0.000 0.846 415 K CB 2.327 34.826 32.500 -0.001 0.000 1.141 415 K HN 0.715 nan 8.250 nan 0.000 0.434 416 D N 1.652 122.118 120.400 0.111 0.000 2.934 416 D HA 0.283 4.921 4.640 -0.004 0.000 0.249 416 D C -2.634 173.719 176.300 0.088 0.000 1.293 416 D CA -1.146 52.960 54.000 0.176 0.000 0.812 416 D CB 0.734 41.735 40.800 0.334 0.000 1.439 416 D HN 0.351 nan 8.370 nan 0.000 0.555 417 P HA 0.038 nan 4.420 nan 0.000 0.268 417 P C 1.194 178.515 177.300 0.035 0.000 1.204 417 P CA -0.467 62.652 63.100 0.033 0.000 0.768 417 P CB 1.555 33.269 31.700 0.024 0.000 0.842 418 V N 3.311 123.241 119.914 0.027 0.000 2.380 418 V HA -0.266 3.851 4.120 -0.004 0.000 0.251 418 V C 1.647 177.754 176.094 0.022 0.000 1.063 418 V CA 2.747 65.062 62.300 0.026 0.000 1.055 418 V CB -0.928 30.907 31.823 0.020 0.000 0.657 418 V HN 0.684 nan 8.190 nan 0.000 0.455 419 A N -1.289 121.541 122.820 0.017 0.000 2.308 419 A HA 0.224 4.541 4.320 -0.004 0.000 0.217 419 A C 0.691 178.283 177.584 0.014 0.000 1.216 419 A CA 0.693 52.738 52.037 0.014 0.000 0.864 419 A CB -0.072 18.934 19.000 0.009 0.000 0.902 419 A HN 0.586 nan 8.150 nan 0.000 0.499 420 D N -0.830 119.582 120.400 0.019 0.000 2.527 420 D HA 0.194 4.832 4.640 -0.004 0.000 0.242 420 D C -2.266 174.049 176.300 0.025 0.000 1.285 420 D CA -1.298 52.713 54.000 0.018 0.000 0.886 420 D CB 1.295 42.103 40.800 0.012 0.000 1.402 420 D HN -0.034 nan 8.370 nan 0.000 0.528 421 P HA -0.118 nan 4.420 nan 0.000 0.221 421 P C 0.915 178.233 177.300 0.030 0.000 1.145 421 P CA 0.550 63.669 63.100 0.032 0.000 0.795 421 P CB 0.487 32.202 31.700 0.025 0.000 0.775 422 N N 0.195 118.908 118.700 0.022 0.000 2.443 422 N HA -0.091 4.646 4.740 -0.004 0.000 0.184 422 N C 1.301 176.822 175.510 0.018 0.000 1.037 422 N CA 0.916 53.976 53.050 0.017 0.000 0.896 422 N CB -0.258 38.235 38.487 0.009 0.000 0.959 422 N HN 0.348 nan 8.380 nan 0.000 0.442 423 K N 0.323 120.738 120.400 0.025 0.000 2.358 423 K HA 0.107 4.424 4.320 -0.004 0.000 0.197 423 K C 0.421 177.054 176.600 0.055 0.000 1.025 423 K CA -0.296 56.007 56.287 0.027 0.000 1.104 423 K CB 0.757 33.270 32.500 0.021 0.000 0.855 423 K HN 0.065 nan 8.250 nan 0.000 0.531 424 R N 2.296 122.838 120.500 0.070 0.000 2.522 424 R HA -0.004 4.334 4.340 -0.004 0.000 0.284 424 R C -0.138 176.238 176.300 0.127 0.000 1.032 424 R CA 0.253 56.420 56.100 0.113 0.000 1.049 424 R CB 0.495 30.852 30.300 0.095 0.000 0.956 424 R HN 0.042 nan 8.270 nan 0.000 0.422 425 S N 3.047 118.865 115.700 0.195 0.000 2.718 425 S HA 0.411 4.879 4.470 -0.004 0.000 0.300 425 S C -0.568 174.167 174.600 0.225 0.000 1.117 425 S CA -1.030 57.312 58.200 0.237 0.000 1.002 425 S CB 1.758 65.110 63.200 0.254 0.000 1.092 425 S HN 0.577 nan 8.310 nan 0.000 0.542 426 K N 0.712 121.240 120.400 0.213 0.000 2.168 426 K HA 0.321 4.639 4.320 -0.004 0.000 0.258 426 K C -0.404 176.211 176.600 0.026 0.000 1.010 426 K CA -0.346 55.928 56.287 -0.022 0.000 0.929 426 K CB 0.509 32.811 32.500 -0.330 0.000 0.998 426 K HN 0.525 nan 8.250 nan 0.000 0.479 427 K N 0.907 121.272 120.400 -0.058 0.000 2.244 427 K HA 0.435 4.753 4.320 -0.004 0.000 0.260 427 K C 0.028 176.620 176.600 -0.013 0.000 0.951 427 K CA -0.582 55.711 56.287 0.010 0.000 0.826 427 K CB 1.758 34.189 32.500 -0.115 0.000 1.108 427 K HN 0.832 nan 8.250 nan 0.000 0.433 428 G N 1.994 110.840 108.800 0.077 0.000 2.741 428 G HA2 -0.281 3.677 3.960 -0.004 0.000 0.222 428 G HA3 -0.281 3.677 3.960 -0.004 0.000 0.222 428 G C -0.851 173.925 174.900 -0.206 0.000 1.364 428 G CA -0.817 44.281 45.100 -0.004 0.000 0.866 428 G HN 0.637 nan 8.290 nan 0.000 0.555 429 R N -0.561 119.606 120.500 -0.555 0.000 2.489 429 R HA 0.449 4.786 4.340 -0.004 0.000 0.287 429 R C 0.448 176.587 176.300 -0.267 0.000 1.053 429 R CA 0.096 55.775 56.100 -0.701 0.000 1.036 429 R CB 0.175 29.955 30.300 -0.867 0.000 0.966 429 R HN 0.433 nan 8.270 nan 0.000 0.432 430 L N 1.372 122.562 121.223 -0.055 0.000 2.333 430 L HA 0.581 4.918 4.340 -0.004 0.000 0.269 430 L C -0.029 176.844 176.870 0.004 0.000 1.010 430 L CA -0.761 54.054 54.840 -0.042 0.000 0.818 430 L CB 2.069 44.073 42.059 -0.092 0.000 1.306 430 L HN 0.767 nan 8.230 nan 0.000 0.430 431 S N 1.248 116.946 115.700 -0.004 0.000 2.570 431 S HA 0.714 5.182 4.470 -0.004 0.000 0.270 431 S C -1.352 173.208 174.600 -0.067 0.000 1.149 431 S CA -0.803 57.383 58.200 -0.023 0.000 0.837 431 S CB 2.281 65.531 63.200 0.084 0.000 1.124 431 S HN 0.420 nan 8.310 nan 0.000 0.465 432 L N 1.735 122.803 121.223 -0.257 0.000 2.322 432 L HA 0.787 5.125 4.340 -0.004 0.000 0.281 432 L C -1.400 175.236 176.870 -0.390 0.000 1.014 432 L CA 0.109 54.855 54.840 -0.157 0.000 0.815 432 L CB 1.126 43.145 42.059 -0.066 0.000 1.247 432 L HN 0.979 nan 8.230 nan 0.000 0.421 433 H N 2.761 121.865 119.070 0.058 0.000 2.928 433 H HA 0.646 5.200 4.556 -0.004 0.000 0.371 433 H C -0.756 174.608 175.328 0.061 0.000 1.186 433 H CA -0.993 55.088 56.048 0.056 0.000 1.134 433 H CB 1.329 31.093 29.762 0.003 0.000 1.824 433 H HN 0.339 nan 8.280 nan 0.000 0.554 434 R N 1.141 121.730 120.500 0.147 0.000 2.438 434 R HA 0.204 4.541 4.340 -0.004 0.000 0.287 434 R C 0.091 176.479 176.300 0.148 0.000 1.077 434 R CA -0.293 55.806 56.100 -0.002 0.000 1.034 434 R CB 0.567 30.843 30.300 -0.040 0.000 0.993 434 R HN 0.878 nan 8.270 nan 0.000 0.459 435 T N -0.442 114.166 114.554 0.091 0.000 2.788 435 T HA 0.234 4.581 4.350 -0.004 0.000 0.280 435 T C -1.599 173.127 174.700 0.043 0.000 0.984 435 T CA -1.520 60.684 62.100 0.173 0.000 0.972 435 T CB 0.841 69.794 68.868 0.143 0.000 1.039 435 T HN 0.212 nan 8.240 nan 0.000 0.530 436 P HA 0.077 nan 4.420 nan 0.000 0.220 436 P C 1.201 178.482 177.300 -0.032 0.000 1.148 436 P CA 0.994 64.067 63.100 -0.044 0.000 0.803 436 P CB -0.247 31.410 31.700 -0.073 0.000 0.782 437 A N -1.097 121.711 122.820 -0.021 0.000 2.238 437 A HA 0.439 4.756 4.320 -0.004 0.000 0.208 437 A C 1.574 179.130 177.584 -0.047 0.000 1.177 437 A CA 0.708 52.729 52.037 -0.027 0.000 0.804 437 A CB -1.168 17.824 19.000 -0.014 0.000 0.823 437 A HN 0.235 nan 8.150 nan 0.000 0.482 438 G N -0.574 108.185 108.800 -0.067 0.000 2.137 438 G HA2 -0.262 3.696 3.960 -0.004 0.000 0.237 438 G HA3 -0.262 3.696 3.960 -0.004 0.000 0.237 438 G C 0.024 174.790 174.900 -0.223 0.000 1.002 438 G CA 0.341 45.362 45.100 -0.131 0.000 0.702 438 G HN 0.645 nan 8.290 nan 0.000 0.515 439 N N -1.227 117.375 118.700 -0.162 0.000 2.514 439 N HA 0.774 5.512 4.740 -0.004 0.000 0.299 439 N C -0.335 175.007 175.510 -0.280 0.000 1.292 439 N CA -0.574 52.382 53.050 -0.158 0.000 0.963 439 N CB 0.478 38.971 38.487 0.009 0.000 1.124 439 N HN 0.079 nan 8.380 nan 0.000 0.580 440 F N 0.016 119.997 119.950 0.051 0.000 2.492 440 F HA 0.638 5.163 4.527 -0.003 0.000 0.327 440 F C -0.067 175.751 175.800 0.029 0.000 1.079 440 F CA -0.776 57.256 58.000 0.052 0.000 0.967 440 F CB 1.541 40.570 39.000 0.049 0.000 1.169 440 F HN -0.041 nan 8.300 nan 0.000 0.472 441 V N 1.458 121.487 119.914 0.192 0.000 2.888 441 V HA 0.550 4.668 4.120 -0.004 0.000 0.309 441 V C -0.966 175.145 176.094 0.027 0.000 1.114 441 V CA -0.267 62.060 62.300 0.045 0.000 0.940 441 V CB 2.389 34.142 31.823 -0.116 0.000 1.021 441 V HN 0.772 nan 8.190 nan 0.000 0.426 442 T N 7.780 122.323 114.554 -0.017 0.000 2.743 442 T HA 0.540 4.888 4.350 -0.004 0.000 0.292 442 T C -0.291 174.354 174.700 -0.092 0.000 0.972 442 T CA -0.117 61.962 62.100 -0.034 0.000 0.967 442 T CB 0.566 69.397 68.868 -0.061 0.000 0.926 442 T HN 0.510 nan 8.240 nan 0.000 0.459 443 L N 3.782 124.964 121.223 -0.069 0.000 2.312 443 L HA 0.480 4.817 4.340 -0.004 0.000 0.281 443 L C 0.724 177.525 176.870 -0.114 0.000 1.070 443 L CA -0.579 54.180 54.840 -0.135 0.000 0.805 443 L CB 1.097 43.047 42.059 -0.182 0.000 1.174 443 L HN 0.601 nan 8.230 nan 0.000 0.434 444 E N 1.474 121.596 120.200 -0.131 0.000 2.281 444 E HA 0.283 4.631 4.350 -0.004 0.000 0.257 444 E C -0.430 176.094 176.600 -0.127 0.000 0.971 444 E CA -0.784 55.533 56.400 -0.138 0.000 0.839 444 E CB 1.073 30.688 29.700 -0.142 0.000 1.238 444 E HN 0.488 nan 8.360 nan 0.000 0.412 445 E N -0.425 119.697 120.200 -0.130 0.000 2.586 445 E HA -0.288 4.060 4.350 -0.004 0.000 0.259 445 E C 0.458 176.974 176.600 -0.139 0.000 1.107 445 E CA 0.278 56.608 56.400 -0.117 0.000 0.754 445 E CB -1.724 27.926 29.700 -0.084 0.000 1.335 445 E HN 0.980 nan 8.360 nan 0.000 0.411 446 G N 0.046 108.736 108.800 -0.185 0.000 2.166 446 G HA2 -0.428 3.529 3.960 -0.004 0.000 0.260 446 G HA3 -0.428 3.529 3.960 -0.004 0.000 0.260 446 G C 0.756 175.592 174.900 -0.106 0.000 0.986 446 G CA 0.946 45.939 45.100 -0.178 0.000 0.683 446 G HN 0.401 nan 8.290 nan 0.000 0.527 447 K N 0.123 120.467 120.400 -0.094 0.000 2.360 447 K HA 0.035 4.353 4.320 -0.004 0.000 0.201 447 K C 2.699 179.256 176.600 -0.071 0.000 1.046 447 K CA 0.774 57.016 56.287 -0.075 0.000 0.945 447 K CB -0.308 32.144 32.500 -0.080 0.000 0.750 447 K HN 0.411 nan 8.250 nan 0.000 0.464 448 G N 1.825 110.592 108.800 -0.055 0.000 2.485 448 G HA2 -0.266 3.691 3.960 -0.004 0.000 0.221 448 G HA3 -0.266 3.691 3.960 -0.004 0.000 0.221 448 G C 0.941 175.854 174.900 0.021 0.000 1.115 448 G CA 0.944 46.046 45.100 0.003 0.000 0.751 448 G HN 0.226 nan 8.290 nan 0.000 0.567 449 D N 0.306 120.702 120.400 -0.007 0.000 2.264 449 D HA -0.030 4.607 4.640 -0.004 0.000 0.208 449 D C 2.482 178.779 176.300 -0.004 0.000 0.966 449 D CA 0.301 54.297 54.000 -0.006 0.000 0.864 449 D CB -0.083 40.699 40.800 -0.030 0.000 0.933 449 D HN 0.342 nan 8.370 nan 0.000 0.499 450 L N 0.177 121.393 121.223 -0.012 0.000 2.376 450 L HA -0.015 4.323 4.340 -0.004 0.000 0.219 450 L C 0.545 177.414 176.870 -0.003 0.000 1.133 450 L CA 0.490 55.324 54.840 -0.010 0.000 0.816 450 L CB -0.344 41.707 42.059 -0.012 0.000 0.933 450 L HN 0.001 nan 8.230 nan 0.000 0.449 451 E N -0.681 119.523 120.200 0.007 0.000 2.868 451 E HA -0.228 4.120 4.350 -0.004 0.000 0.278 451 E C 0.626 177.225 176.600 -0.001 0.000 1.009 451 E CA 0.624 57.036 56.400 0.019 0.000 0.856 451 E CB -0.968 28.744 29.700 0.020 0.000 1.428 451 E HN 0.632 nan 8.360 nan 0.000 0.423 452 E N -0.665 119.529 120.200 -0.009 0.000 2.481 452 E HA -0.079 4.269 4.350 -0.004 0.000 0.195 452 E C 0.687 177.181 176.600 -0.176 0.000 1.047 452 E CA 0.774 57.123 56.400 -0.084 0.000 0.867 452 E CB 0.073 29.719 29.700 -0.091 0.000 0.858 452 E HN 0.491 nan 8.360 nan 0.000 0.513 453 Y N 0.414 120.624 120.300 -0.149 0.000 2.715 453 Y HA 0.302 4.850 4.550 -0.004 0.000 0.255 453 Y C 1.124 177.027 175.900 0.006 0.000 1.139 453 Y CA 0.003 58.020 58.100 -0.139 0.000 1.151 453 Y CB 1.017 39.270 38.460 -0.346 0.000 1.201 453 Y HN 0.092 nan 8.280 nan 0.000 0.556 454 G N 0.556 109.437 108.800 0.134 0.000 2.601 454 G HA2 -0.231 3.726 3.960 -0.004 0.000 0.252 454 G HA3 -0.231 3.726 3.960 -0.004 0.000 0.252 454 G C -0.481 174.572 174.900 0.256 0.000 1.294 454 G CA -0.736 44.459 45.100 0.158 0.000 0.912 454 G HN 0.122 nan 8.290 nan 0.000 0.574 455 Q N 0.648 120.556 119.800 0.180 0.000 2.259 455 Q HA 0.356 4.694 4.340 -0.004 0.000 0.246 455 Q C 0.178 176.176 176.000 -0.004 0.000 0.920 455 Q CA -0.597 55.276 55.803 0.116 0.000 0.895 455 Q CB 1.187 29.957 28.738 0.053 0.000 1.220 455 Q HN 0.671 nan 8.270 nan 0.000 0.439 456 D N 1.458 121.784 120.400 -0.124 0.000 2.533 456 D HA -0.062 4.575 4.640 -0.004 0.000 0.236 456 D C 0.679 176.804 176.300 -0.290 0.000 1.137 456 D CA 0.371 54.143 54.000 -0.379 0.000 0.867 456 D CB 0.683 41.364 40.800 -0.199 0.000 1.170 456 D HN 0.449 nan 8.370 nan 0.000 0.474 457 L N 3.116 124.156 121.223 -0.305 0.000 2.492 457 L HA 0.080 4.417 4.340 -0.004 0.000 0.223 457 L C 0.851 177.499 176.870 -0.371 0.000 1.132 457 L CA -0.013 54.684 54.840 -0.238 0.000 0.850 457 L CB -0.296 41.742 42.059 -0.035 0.000 0.966 457 L HN 0.276 nan 8.230 nan 0.000 0.454 458 L N 0.090 121.136 121.223 -0.295 0.000 2.439 458 L HA 0.159 4.496 4.340 -0.004 0.000 0.269 458 L C -0.021 176.666 176.870 -0.304 0.000 1.179 458 L CA 0.026 54.728 54.840 -0.229 0.000 0.828 458 L CB 0.199 42.196 42.059 -0.103 0.000 1.106 458 L HN 0.109 nan 8.230 nan 0.000 0.467 459 H N 0.455 119.533 119.070 0.012 0.000 2.622 459 H HA 0.239 4.792 4.556 -0.004 0.000 0.363 459 H C -0.552 174.814 175.328 0.064 0.000 1.151 459 H CA -0.719 55.354 56.048 0.043 0.000 1.184 459 H CB 1.971 31.775 29.762 0.069 0.000 1.643 459 H HN 0.481 nan 8.280 nan 0.000 0.531 460 T N 2.379 117.047 114.554 0.190 0.000 2.817 460 T HA 0.076 4.424 4.350 -0.004 0.000 0.295 460 T C 1.623 176.407 174.700 0.140 0.000 0.958 460 T CA -0.110 62.077 62.100 0.144 0.000 1.157 460 T CB 0.116 69.044 68.868 0.100 0.000 0.898 460 T HN 0.526 nan 8.240 nan 0.000 0.536 461 V N 1.261 121.272 119.914 0.161 0.000 3.645 461 V HA 0.561 4.679 4.120 -0.004 0.000 0.275 461 V C -0.021 176.187 176.094 0.189 0.000 1.356 461 V CA -0.111 62.280 62.300 0.152 0.000 1.051 461 V CB -0.366 31.568 31.823 0.185 0.000 0.828 461 V HN 0.661 nan 8.190 nan 0.000 0.441 462 F N 1.118 121.082 119.950 0.023 0.000 2.588 462 F HA 0.742 5.267 4.527 -0.003 0.000 0.314 462 F C -0.877 174.931 175.800 0.012 0.000 1.134 462 F CA -0.768 57.237 58.000 0.008 0.000 0.961 462 F CB 1.730 40.729 39.000 -0.002 0.000 1.239 462 F HN -0.029 nan 8.300 nan 0.000 0.448 463 K N 4.978 125.140 120.400 -0.398 0.000 2.565 463 K HA 0.337 4.655 4.320 -0.004 0.000 0.251 463 K C -0.837 175.518 176.600 -0.408 0.000 0.956 463 K CA -0.612 55.542 56.287 -0.222 0.000 0.809 463 K CB 1.208 33.654 32.500 -0.091 0.000 1.267 463 K HN 0.860 nan 8.250 nan 0.000 0.438 464 N N 2.925 121.467 118.700 -0.263 0.000 2.714 464 N HA -0.263 4.475 4.740 -0.004 0.000 0.252 464 N C 0.418 175.787 175.510 -0.234 0.000 1.014 464 N CA 0.763 53.678 53.050 -0.226 0.000 0.735 464 N CB -0.808 37.564 38.487 -0.192 0.000 0.924 464 N HN 1.061 nan 8.380 nan 0.000 0.540 465 G N -1.148 107.394 108.800 -0.430 0.000 2.176 465 G HA2 -0.340 3.618 3.960 -0.004 0.000 0.253 465 G HA3 -0.340 3.618 3.960 -0.004 0.000 0.253 465 G C -0.069 174.607 174.900 -0.373 0.000 0.979 465 G CA 0.629 45.612 45.100 -0.195 0.000 0.641 465 G HN 0.445 nan 8.290 nan 0.000 0.530 466 K N 0.251 120.249 120.400 -0.670 0.000 2.270 466 K HA 0.611 4.929 4.320 -0.004 0.000 0.255 466 K C -0.067 176.264 176.600 -0.448 0.000 0.936 466 K CA -0.890 55.158 56.287 -0.398 0.000 0.809 466 K CB 2.935 35.299 32.500 -0.226 0.000 1.131 466 K HN 0.009 nan 8.250 nan 0.000 0.427 467 V N 2.765 122.581 119.914 -0.165 0.000 2.470 467 V HA 0.006 4.123 4.120 -0.004 0.000 0.276 467 V C 1.298 177.350 176.094 -0.071 0.000 1.040 467 V CA 0.251 62.526 62.300 -0.041 0.000 1.008 467 V CB 0.789 32.621 31.823 0.017 0.000 0.990 467 V HN 1.039 nan 8.190 nan 0.000 0.477 468 T N 1.156 115.680 114.554 -0.051 0.000 2.990 468 T HA 0.280 4.628 4.350 -0.004 0.000 0.250 468 T C 0.359 175.021 174.700 -0.064 0.000 1.041 468 T CA -0.112 61.953 62.100 -0.058 0.000 1.010 468 T CB 0.301 69.143 68.868 -0.043 0.000 1.003 468 T HN 0.487 nan 8.240 nan 0.000 0.499 469 K N 1.121 121.479 120.400 -0.070 0.000 2.543 469 K HA 0.545 4.863 4.320 -0.004 0.000 0.255 469 K C -1.586 174.880 176.600 -0.224 0.000 0.934 469 K CA -0.425 55.760 56.287 -0.169 0.000 0.810 469 K CB 2.072 34.478 32.500 -0.156 0.000 1.315 469 K HN 0.268 nan 8.250 nan 0.000 0.433 470 S N 1.298 116.746 115.700 -0.420 0.000 2.607 470 S HA 0.616 5.084 4.470 -0.004 0.000 0.273 470 S C -1.611 172.605 174.600 -0.639 0.000 1.148 470 S CA -0.834 57.149 58.200 -0.361 0.000 0.833 470 S CB 0.838 63.959 63.200 -0.131 0.000 1.130 470 S HN 0.432 nan 8.310 nan 0.000 0.470 471 Y N 0.955 121.335 120.300 0.133 0.000 2.462 471 Y HA 0.646 5.194 4.550 -0.004 0.000 0.346 471 Y C 0.753 176.809 175.900 0.260 0.000 0.976 471 Y CA -0.698 57.505 58.100 0.172 0.000 1.044 471 Y CB 2.187 40.762 38.460 0.191 0.000 1.230 471 Y HN 0.961 nan 8.280 nan 0.000 0.455 472 S N 1.183 117.078 115.700 0.324 0.000 2.614 472 S HA 0.149 4.616 4.470 -0.004 0.000 0.265 472 S C 0.622 175.443 174.600 0.368 0.000 1.303 472 S CA -0.475 57.920 58.200 0.326 0.000 1.000 472 S CB 0.507 63.832 63.200 0.209 0.000 0.935 472 S HN 0.668 nan 8.310 nan 0.000 0.551 473 F N 1.087 121.159 119.950 0.202 0.000 2.293 473 F HA -0.033 4.491 4.527 -0.004 0.000 0.300 473 F C 1.724 177.529 175.800 0.008 0.000 1.086 473 F CA 1.493 59.524 58.000 0.052 0.000 1.375 473 F CB -0.349 38.663 39.000 0.021 0.000 1.045 473 F HN 0.616 nan 8.300 nan 0.000 0.516 474 D N 0.100 120.578 120.400 0.129 0.000 2.117 474 D HA -0.162 4.476 4.640 -0.004 0.000 0.198 474 D C 2.096 178.384 176.300 -0.019 0.000 0.982 474 D CA 1.328 55.348 54.000 0.033 0.000 0.828 474 D CB -0.351 40.497 40.800 0.079 0.000 0.967 474 D HN 0.444 nan 8.370 nan 0.000 0.464 475 E N 0.374 120.603 120.200 0.048 0.000 2.077 475 E HA -0.105 4.242 4.350 -0.004 0.000 0.193 475 E C 2.391 178.989 176.600 -0.004 0.000 0.989 475 E CA 0.427 56.871 56.400 0.073 0.000 0.800 475 E CB -0.020 29.801 29.700 0.202 0.000 0.746 475 E HN 0.288 nan 8.360 nan 0.000 0.452 476 I N 0.866 121.387 120.570 -0.081 0.000 2.163 476 I HA -0.313 3.855 4.170 -0.004 0.000 0.243 476 I C 2.540 178.456 176.117 -0.334 0.000 1.085 476 I CA 1.249 62.415 61.300 -0.224 0.000 1.347 476 I CB -0.273 37.499 38.000 -0.380 0.000 1.044 476 I HN 0.039 nan 8.210 nan 0.000 0.408 477 R N 0.717 120.943 120.500 -0.456 0.000 2.091 477 R HA -0.233 4.105 4.340 -0.004 0.000 0.238 477 R C 2.353 178.515 176.300 -0.230 0.000 1.136 477 R CA 1.680 57.542 56.100 -0.396 0.000 0.959 477 R CB -0.361 29.716 30.300 -0.371 0.000 0.856 477 R HN 0.333 nan 8.270 nan 0.000 0.437 478 K N 0.966 121.276 120.400 -0.150 0.000 2.057 478 K HA -0.136 4.182 4.320 -0.004 0.000 0.207 478 K C 1.510 178.056 176.600 -0.090 0.000 1.049 478 K CA 1.789 58.020 56.287 -0.094 0.000 0.931 478 K CB -0.072 32.403 32.500 -0.041 0.000 0.714 478 K HN 0.227 nan 8.250 nan 0.000 0.440 479 N N -0.241 118.417 118.700 -0.069 0.000 2.223 479 N HA -0.124 4.614 4.740 -0.004 0.000 0.185 479 N C 1.275 176.718 175.510 -0.111 0.000 1.016 479 N CA 0.798 53.812 53.050 -0.060 0.000 0.863 479 N CB -0.038 38.504 38.487 0.092 0.000 0.983 479 N HN 0.254 nan 8.380 nan 0.000 0.429 480 A N 0.607 123.346 122.820 -0.135 0.000 2.275 480 A HA 0.067 4.385 4.320 -0.004 0.000 0.212 480 A C 0.546 178.036 177.584 -0.157 0.000 1.201 480 A CA -0.123 51.825 52.037 -0.148 0.000 0.843 480 A CB 0.100 18.978 19.000 -0.203 0.000 0.873 480 A HN 0.270 nan 8.150 nan 0.000 0.492 481 Q N -0.056 119.654 119.800 -0.149 0.000 2.428 481 Q HA 0.282 4.619 4.340 -0.004 0.000 0.276 481 Q C -0.356 175.572 176.000 -0.120 0.000 1.059 481 Q CA 0.108 55.825 55.803 -0.143 0.000 0.923 481 Q CB 0.557 29.223 28.738 -0.119 0.000 1.283 481 Q HN 0.505 nan 8.270 nan 0.000 0.447 482 L N 1.515 122.666 121.223 -0.120 0.000 2.464 482 L HA 0.023 4.361 4.340 -0.004 0.000 0.264 482 L C 1.429 178.255 176.870 -0.073 0.000 1.199 482 L CA -0.036 54.749 54.840 -0.091 0.000 0.818 482 L CB 0.137 42.141 42.059 -0.092 0.000 1.102 482 L HN 0.756 nan 8.230 nan 0.000 0.473 483 N N 0.716 119.382 118.700 -0.056 0.000 2.069 483 N HA -0.132 4.605 4.740 -0.004 0.000 0.191 483 N C 0.771 176.254 175.510 -0.046 0.000 1.031 483 N CA 0.669 53.690 53.050 -0.048 0.000 0.852 483 N CB -0.078 38.387 38.487 -0.036 0.000 1.018 483 N HN 0.422 nan 8.380 nan 0.000 0.423 484 I N 0.000 120.543 120.570 -0.046 0.000 2.984 484 I HA 0.000 4.168 4.170 -0.004 0.000 0.288 484 I CA 0.000 61.274 61.300 -0.043 0.000 1.566 484 I CB 0.000 37.976 38.000 -0.041 0.000 1.214 484 I HN 0.000 nan 8.210 nan 0.000 0.494