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 2vf1_1_B DATA FIRST_RESID 66 DATA SEQUENCE DWSWYAPSEL VAKQIANVPF NVLAGTPIKA SVHLRYDPSL VSGLKDQLFV DATA SEQUENCE GNNASIMGAR LLYLPSFGIS TTVLDGLSMA ANQLYAYVRK SNSGAKVYEA DATA SEQUENCE PDLMMTVLAI QEAYRVLFEI RRAITFANYW NFWNKYLPKQ VFEQLLAIDF DATA SEQUENCE DDLMSNKANY CAQFNLMAQK INTFALPKYF KSILRMAYVS SNIFMDSDAV DATA SEQUENCE TGQMYAFVSS GYYRYSATTS ESGTSLVYRD WPVGAAMPRK LNRLFTVLRE DATA SEQUENCE LLDAIYGDAD AQTMFGDIYK AFGSDGLYSI AEISVDETST PVFDVDILAQ DATA SEQUENCE IENCTILEAN AGLAWTLDSC NVTQSKGQVL LWQPTGTITS SDNTEHIAGD DATA SEQUENCE IAVALGDRVL NSHIMEPQYS DVLEWTRLMA TIEFDKASVT SSEKVTFKVT DATA SEQUENCE SCGAELIRNV LYFKNVWNDA AEDASQRVIT YFSHFSQITV TNATDDPTSA DATA SEQUENCE YGLMSNTLDF TQLDWHPIIY VTETSVHNVA NLNSILIGGD LKRPTVITTD DATA SEQUENCE VVKRINSAAN YALYYSANLL SNIST 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 66 D HA 0.000 nan 4.640 nan 0.000 0.175 66 D C 0.000 175.974 176.300 -0.544 0.000 2.045 66 D CA 0.000 53.494 54.000 -0.844 0.000 0.868 66 D CB 0.000 39.777 40.800 -1.705 0.000 0.688 67 W N 2.878 124.062 121.300 -0.193 0.000 2.467 67 W HA -0.005 4.655 4.660 -0.000 0.000 0.275 67 W C 0.934 177.501 176.519 0.081 0.000 1.239 67 W CA 0.486 57.886 57.345 0.091 0.000 1.266 67 W CB -1.461 28.026 29.460 0.044 0.000 1.112 67 W HN 0.230 nan 8.180 nan 0.000 0.576 68 S N 1.021 116.110 115.700 -1.019 0.000 2.407 68 S HA -0.228 4.242 4.470 -0.000 0.000 0.235 68 S C 1.474 175.928 174.600 -0.244 0.000 1.036 68 S CA 2.149 59.842 58.200 -0.845 0.000 1.013 68 S CB -0.690 62.055 63.200 -0.758 0.000 0.820 68 S HN 0.300 nan 8.310 nan 0.000 0.476 69 W N 1.114 122.246 121.300 -0.280 0.000 2.353 69 W HA -0.041 4.619 4.660 -0.000 0.000 0.319 69 W C 1.681 178.000 176.519 -0.333 0.000 1.207 69 W CA 0.416 57.527 57.345 -0.390 0.000 1.291 69 W CB -1.655 27.389 29.460 -0.694 0.000 1.159 69 W HN 0.421 nan 8.180 nan 0.000 0.478 70 Y N 0.242 120.710 120.300 0.281 0.000 2.488 70 Y HA 0.412 4.962 4.550 -0.000 0.000 0.319 70 Y C 1.028 177.029 175.900 0.168 0.000 1.212 70 Y CA 0.232 58.454 58.100 0.202 0.000 1.273 70 Y CB -1.241 37.344 38.460 0.208 0.000 1.074 70 Y HN -0.181 nan 8.280 nan 0.000 0.503 71 A N 1.792 124.758 122.820 0.245 0.000 2.293 71 A HA 0.422 4.742 4.320 -0.000 0.000 0.312 71 A C -1.447 176.206 177.584 0.114 0.000 1.309 71 A CA -1.329 50.833 52.037 0.208 0.000 0.839 71 A CB 0.729 19.887 19.000 0.265 0.000 1.155 71 A HN 0.095 nan 8.150 nan 0.000 0.501 72 P HA 0.019 nan 4.420 nan 0.000 0.229 72 P C 0.327 177.662 177.300 0.060 0.000 1.160 72 P CA 0.794 63.935 63.100 0.068 0.000 0.777 72 P CB 0.522 32.261 31.700 0.066 0.000 0.814 73 S N -1.090 114.657 115.700 0.080 0.000 2.543 73 S HA 0.247 4.717 4.470 -0.000 0.000 0.273 73 S C 0.464 175.125 174.600 0.101 0.000 1.152 73 S CA -0.458 57.786 58.200 0.072 0.000 0.910 73 S CB 1.385 64.621 63.200 0.060 0.000 1.105 73 S HN -0.302 nan 8.310 nan 0.000 0.465 74 E N 2.360 122.615 120.200 0.092 0.000 2.147 74 E HA -0.156 4.194 4.350 -0.000 0.000 0.199 74 E C 1.348 178.019 176.600 0.119 0.000 1.005 74 E CA 1.834 58.309 56.400 0.124 0.000 0.810 74 E CB -0.162 29.593 29.700 0.092 0.000 0.736 74 E HN 0.579 nan 8.360 nan 0.000 0.460 75 L N -0.769 120.505 121.223 0.085 0.000 2.056 75 L HA -0.052 4.288 4.340 -0.000 0.000 0.202 75 L C 2.267 179.181 176.870 0.074 0.000 1.086 75 L CA 1.041 55.922 54.840 0.070 0.000 0.758 75 L CB -0.996 41.094 42.059 0.052 0.000 0.912 75 L HN 0.068 nan 8.230 nan 0.000 0.446 76 V N -0.017 119.939 119.914 0.072 0.000 2.481 76 V HA -0.411 3.709 4.120 -0.000 0.000 0.263 76 V C 2.337 178.483 176.094 0.087 0.000 1.108 76 V CA 2.038 64.381 62.300 0.072 0.000 1.113 76 V CB -0.557 31.309 31.823 0.072 0.000 0.684 76 V HN 0.508 nan 8.190 nan 0.000 0.467 77 A N -0.439 122.450 122.820 0.115 0.000 1.823 77 A HA -0.187 4.133 4.320 -0.000 0.000 0.214 77 A C 2.278 179.907 177.584 0.075 0.000 1.225 77 A CA 1.745 53.861 52.037 0.132 0.000 0.604 77 A CB -0.838 18.296 19.000 0.223 0.000 0.878 77 A HN 0.543 nan 8.150 nan 0.000 0.450 78 K N -0.353 120.084 120.400 0.060 0.000 2.366 78 K HA -0.221 4.099 4.320 -0.000 0.000 0.202 78 K C 2.046 178.663 176.600 0.029 0.000 1.045 78 K CA 1.577 57.878 56.287 0.024 0.000 0.934 78 K CB -0.099 32.416 32.500 0.024 0.000 0.746 78 K HN 0.631 nan 8.250 nan 0.000 0.470 79 Q N -0.248 119.577 119.800 0.041 0.000 2.123 79 Q HA -0.058 4.282 4.340 -0.000 0.000 0.196 79 Q C 1.882 177.903 176.000 0.035 0.000 0.958 79 Q CA 1.358 57.184 55.803 0.037 0.000 0.841 79 Q CB 0.205 28.968 28.738 0.040 0.000 0.915 79 Q HN 0.537 nan 8.270 nan 0.000 0.455 80 I N -4.314 116.281 120.570 0.041 0.000 3.947 80 I HA 0.488 4.658 4.170 -0.000 0.000 0.327 80 I C 1.152 177.290 176.117 0.035 0.000 1.519 80 I CA -0.071 61.251 61.300 0.037 0.000 1.122 80 I CB 0.636 38.660 38.000 0.039 0.000 1.146 80 I HN -0.146 nan 8.210 nan 0.000 0.442 81 A N 0.963 123.803 122.820 0.033 0.000 2.127 81 A HA 0.199 4.519 4.320 -0.000 0.000 0.204 81 A C 1.097 178.697 177.584 0.027 0.000 1.243 81 A CA 0.059 52.110 52.037 0.024 0.000 0.887 81 A CB -0.201 18.807 19.000 0.013 0.000 0.933 81 A HN 0.365 nan 8.150 nan 0.000 0.479 82 N N 1.804 120.519 118.700 0.024 0.000 2.814 82 N HA 0.148 4.888 4.740 -0.000 0.000 0.304 82 N C 0.130 175.678 175.510 0.065 0.000 1.211 82 N CA 0.344 53.416 53.050 0.037 0.000 1.158 82 N CB -0.521 37.980 38.487 0.024 0.000 1.458 82 N HN 0.333 nan 8.380 nan 0.000 0.519 83 V N 0.730 120.699 119.914 0.091 0.000 2.953 83 V HA 0.657 4.777 4.120 -0.000 0.000 0.304 83 V C -1.857 174.329 176.094 0.152 0.000 1.073 83 V CA -1.553 60.792 62.300 0.075 0.000 1.064 83 V CB 0.835 32.668 31.823 0.016 0.000 1.047 83 V HN 0.339 nan 8.190 nan 0.000 0.478 84 P HA 0.458 nan 4.420 nan 0.000 0.290 84 P C -1.174 176.209 177.300 0.139 0.000 1.275 84 P CA -0.402 62.803 63.100 0.176 0.000 0.841 84 P CB 1.238 33.001 31.700 0.105 0.000 1.042 85 F N 1.719 121.709 119.950 0.067 0.000 2.975 85 F HA 0.142 4.669 4.527 -0.000 0.000 0.311 85 F C 1.347 177.259 175.800 0.187 0.000 1.239 85 F CA -0.604 57.431 58.000 0.059 0.000 1.282 85 F CB -0.811 38.169 39.000 -0.033 0.000 1.071 85 F HN 0.243 nan 8.300 nan 0.000 0.516 86 N N -0.554 118.280 118.700 0.224 0.000 2.617 86 N HA -0.064 4.676 4.740 -0.000 0.000 0.198 86 N C -0.069 175.503 175.510 0.103 0.000 1.317 86 N CA 0.280 53.441 53.050 0.186 0.000 0.892 86 N CB 0.054 38.589 38.487 0.079 0.000 1.041 86 N HN 0.180 nan 8.380 nan 0.000 0.450 87 V N 1.439 121.430 119.914 0.127 0.000 2.275 87 V HA 0.335 4.455 4.120 -0.000 0.000 0.272 87 V C -0.866 175.297 176.094 0.115 0.000 1.028 87 V CA -1.070 61.253 62.300 0.038 0.000 0.810 87 V CB 0.044 31.851 31.823 -0.027 0.000 1.043 87 V HN 0.101 nan 8.190 nan 0.000 0.453 88 L N 6.122 127.378 121.223 0.054 0.000 2.455 88 L HA 0.460 4.800 4.340 -0.000 0.000 0.272 88 L C 1.173 178.081 176.870 0.063 0.000 1.174 88 L CA 0.730 55.617 54.840 0.079 0.000 0.869 88 L CB 0.280 42.243 42.059 -0.161 0.000 1.130 88 L HN 0.717 nan 8.230 nan 0.000 0.474 89 A N 2.786 125.696 122.820 0.151 0.000 2.553 89 A HA 0.408 4.728 4.320 -0.000 0.000 0.258 89 A C 1.317 178.992 177.584 0.151 0.000 1.069 89 A CA 0.819 52.976 52.037 0.199 0.000 0.767 89 A CB -0.820 18.336 19.000 0.260 0.000 0.997 89 A HN 1.170 nan 8.150 nan 0.000 0.512 90 G N 1.582 110.436 108.800 0.089 0.000 2.617 90 G HA2 -0.100 3.860 3.960 -0.000 0.000 0.197 90 G HA3 -0.100 3.860 3.960 -0.000 0.000 0.197 90 G C 0.752 175.668 174.900 0.026 0.000 1.017 90 G CA 0.563 45.496 45.100 -0.278 0.000 0.713 90 G HN 1.974 nan 8.290 nan 0.000 0.481 91 T N 1.524 116.018 114.554 -0.101 0.000 2.813 91 T HA 0.598 4.948 4.350 -0.000 0.000 0.297 91 T C -2.215 172.209 174.700 -0.460 0.000 1.036 91 T CA -0.626 61.190 62.100 -0.473 0.000 1.044 91 T CB 1.992 70.593 68.868 -0.446 0.000 0.993 91 T HN 0.312 nan 8.240 nan 0.000 0.535 92 P HA 0.338 nan 4.420 nan 0.000 0.279 92 P C -0.468 176.689 177.300 -0.239 0.000 1.239 92 P CA -0.568 62.277 63.100 -0.426 0.000 0.789 92 P CB 0.567 31.957 31.700 -0.517 0.000 0.933 93 I N 3.690 124.195 120.570 -0.109 0.000 2.243 93 I HA 0.106 4.276 4.170 -0.000 0.000 0.297 93 I C 1.240 177.312 176.117 -0.074 0.000 1.161 93 I CA -0.138 61.115 61.300 -0.079 0.000 1.298 93 I CB -0.256 37.725 38.000 -0.032 0.000 1.475 93 I HN 0.131 nan 8.210 nan 0.000 0.561 94 K N 5.250 125.590 120.400 -0.100 0.000 2.978 94 K HA 0.202 4.522 4.320 -0.000 0.000 0.261 94 K C 0.554 177.115 176.600 -0.066 0.000 1.181 94 K CA -0.261 55.976 56.287 -0.083 0.000 1.164 94 K CB -0.154 32.287 32.500 -0.099 0.000 1.331 94 K HN 0.629 nan 8.250 nan 0.000 0.266 95 A N 1.327 124.117 122.820 -0.049 0.000 2.340 95 A HA 0.331 4.651 4.320 -0.000 0.000 0.268 95 A C 0.254 177.816 177.584 -0.038 0.000 1.100 95 A CA -0.456 51.554 52.037 -0.045 0.000 0.803 95 A CB 0.583 19.563 19.000 -0.033 0.000 1.043 95 A HN 0.400 nan 8.150 nan 0.000 0.488 96 S N 0.099 115.763 115.700 -0.060 0.000 2.548 96 S HA 0.685 5.155 4.470 -0.000 0.000 0.286 96 S C -0.991 173.546 174.600 -0.104 0.000 1.098 96 S CA -0.640 57.510 58.200 -0.084 0.000 0.930 96 S CB 1.524 64.627 63.200 -0.162 0.000 1.070 96 S HN 0.977 nan 8.310 nan 0.000 0.480 97 V N 3.879 123.755 119.914 -0.064 0.000 2.376 97 V HA 0.427 4.547 4.120 -0.000 0.000 0.287 97 V C -0.319 175.748 176.094 -0.044 0.000 1.015 97 V CA -0.693 61.577 62.300 -0.051 0.000 0.834 97 V CB 0.664 32.470 31.823 -0.029 0.000 1.001 97 V HN 0.911 nan 8.190 nan 0.000 0.428 98 H N 5.264 124.347 119.070 0.021 0.000 2.629 98 H HA 0.662 5.218 4.556 -0.000 0.000 0.357 98 H C -0.412 174.907 175.328 -0.016 0.000 1.121 98 H CA -0.054 56.000 56.048 0.010 0.000 1.406 98 H CB 1.862 31.621 29.762 -0.006 0.000 1.456 98 H HN 0.586 nan 8.280 nan 0.000 0.579 99 L N 0.414 121.695 121.223 0.097 0.000 2.556 99 L HA 0.557 4.897 4.340 -0.000 0.000 0.257 99 L C -0.993 175.811 176.870 -0.109 0.000 0.955 99 L CA -1.006 53.836 54.840 0.003 0.000 0.850 99 L CB 1.585 43.640 42.059 -0.007 0.000 1.398 99 L HN 0.296 nan 8.230 nan 0.000 0.412 100 R N 1.973 122.405 120.500 -0.114 0.000 2.561 100 R HA 0.821 5.161 4.340 -0.000 0.000 0.297 100 R C -1.353 174.880 176.300 -0.112 0.000 0.969 100 R CA -0.609 55.367 56.100 -0.208 0.000 0.879 100 R CB 1.870 32.104 30.300 -0.110 0.000 1.178 100 R HN 0.904 nan 8.270 nan 0.000 0.445 101 Y N -2.082 118.228 120.300 0.017 0.000 2.840 101 Y HA 0.491 5.041 4.550 -0.000 0.000 0.324 101 Y C -1.083 174.825 175.900 0.014 0.000 1.378 101 Y CA -1.742 56.365 58.100 0.011 0.000 1.077 101 Y CB 0.859 39.325 38.460 0.011 0.000 1.361 101 Y HN 0.314 nan 8.280 nan 0.000 0.459 102 D N 2.901 123.534 120.400 0.387 0.000 2.427 102 D HA 0.315 4.955 4.640 -0.000 0.000 0.226 102 D C -1.807 174.634 176.300 0.236 0.000 1.076 102 D CA -2.386 51.758 54.000 0.240 0.000 0.849 102 D CB 1.654 42.524 40.800 0.116 0.000 1.052 102 D HN 0.386 nan 8.370 nan 0.000 0.515 103 P HA -0.167 nan 4.420 nan 0.000 0.219 103 P C 1.127 178.454 177.300 0.045 0.000 1.144 103 P CA 0.770 63.968 63.100 0.163 0.000 0.806 103 P CB 0.420 32.233 31.700 0.190 0.000 0.771 104 S N -0.124 115.606 115.700 0.050 0.000 2.402 104 S HA 0.001 4.471 4.470 -0.000 0.000 0.229 104 S C 1.668 176.268 174.600 -0.000 0.000 1.021 104 S CA 0.841 59.055 58.200 0.022 0.000 0.974 104 S CB -0.474 62.743 63.200 0.027 0.000 0.800 104 S HN 0.240 nan 8.310 nan 0.000 0.484 105 L N 1.727 122.946 121.223 -0.008 0.000 2.818 105 L HA 0.329 4.669 4.340 -0.000 0.000 0.243 105 L C -0.429 176.402 176.870 -0.066 0.000 1.185 105 L CA -0.271 54.554 54.840 -0.026 0.000 0.988 105 L CB 0.084 42.138 42.059 -0.009 0.000 1.292 105 L HN 0.103 nan 8.230 nan 0.000 0.519 106 V N -2.811 117.035 119.914 -0.113 0.000 2.525 106 V HA 0.402 4.522 4.120 -0.000 0.000 0.299 106 V C 0.540 176.553 176.094 -0.135 0.000 1.034 106 V CA -0.863 61.332 62.300 -0.174 0.000 0.863 106 V CB 1.368 32.965 31.823 -0.377 0.000 0.999 106 V HN 0.277 nan 8.190 nan 0.000 0.423 107 S N 3.118 118.763 115.700 -0.092 0.000 2.711 107 S HA 0.395 4.865 4.470 -0.000 0.000 0.335 107 S C 0.987 175.552 174.600 -0.057 0.000 1.175 107 S CA 0.266 58.431 58.200 -0.058 0.000 1.372 107 S CB -0.894 62.282 63.200 -0.038 0.000 1.337 107 S HN 2.678 nan 8.310 nan 0.000 0.572 108 G N 2.957 111.727 108.800 -0.050 0.000 2.511 108 G HA2 -0.163 3.797 3.960 -0.000 0.000 0.175 108 G HA3 -0.163 3.797 3.960 -0.000 0.000 0.175 108 G C -0.576 174.314 174.900 -0.016 0.000 0.233 108 G CA -0.269 44.815 45.100 -0.026 0.000 1.033 108 G HN 0.981 nan 8.290 nan 0.000 0.464 109 L N 2.677 123.900 121.223 -0.001 0.000 2.555 109 L HA 0.274 4.614 4.340 -0.000 0.000 0.264 109 L C 1.324 178.302 176.870 0.181 0.000 0.972 109 L CA -1.090 53.802 54.840 0.086 0.000 0.876 109 L CB 1.437 43.502 42.059 0.010 0.000 1.216 109 L HN 0.613 nan 8.230 nan 0.000 0.415 110 K N 0.646 121.124 120.400 0.129 0.000 2.008 110 K HA -0.085 4.235 4.320 -0.000 0.000 0.226 110 K C 0.506 177.200 176.600 0.156 0.000 0.994 110 K CA 0.975 57.324 56.287 0.104 0.000 1.069 110 K CB 0.047 32.562 32.500 0.025 0.000 0.760 110 K HN 0.533 nan 8.250 nan 0.000 0.465 111 D N 0.325 120.784 120.400 0.099 0.000 2.414 111 D HA 0.011 4.651 4.640 -0.000 0.000 0.259 111 D C 0.337 176.746 176.300 0.182 0.000 1.269 111 D CA 0.334 54.395 54.000 0.101 0.000 1.028 111 D CB 0.775 41.598 40.800 0.038 0.000 1.093 111 D HN 0.171 nan 8.370 nan 0.000 0.545 112 Q N -0.171 119.687 119.800 0.095 0.000 2.157 112 Q HA 0.326 4.666 4.340 -0.000 0.000 0.229 112 Q C -0.559 175.535 176.000 0.157 0.000 0.827 112 Q CA -0.099 55.733 55.803 0.048 0.000 1.055 112 Q CB 1.008 29.658 28.738 -0.147 0.000 1.157 112 Q HN 0.193 nan 8.270 nan 0.000 0.482 113 L N 0.580 121.927 121.223 0.206 0.000 2.441 113 L HA 0.468 4.808 4.340 -0.000 0.000 0.270 113 L C -1.608 175.382 176.870 0.200 0.000 0.973 113 L CA -0.750 54.188 54.840 0.163 0.000 0.842 113 L CB 1.210 43.309 42.059 0.067 0.000 1.239 113 L HN -0.019 nan 8.230 nan 0.000 0.406 114 F N 5.044 124.966 119.950 -0.046 0.000 2.334 114 F HA 0.351 4.878 4.527 -0.000 0.000 0.367 114 F C 0.374 176.140 175.800 -0.056 0.000 1.115 114 F CA -0.689 57.293 58.000 -0.030 0.000 1.116 114 F CB 1.507 40.502 39.000 -0.008 0.000 1.230 114 F HN 0.145 nan 8.300 nan 0.000 0.484 115 V N 1.851 121.761 119.914 -0.006 0.000 2.583 115 V HA 0.745 4.865 4.120 -0.000 0.000 0.287 115 V C 0.771 176.867 176.094 0.002 0.000 1.051 115 V CA -0.865 61.422 62.300 -0.022 0.000 1.010 115 V CB 0.433 32.224 31.823 -0.055 0.000 0.988 115 V HN 0.753 nan 8.190 nan 0.000 0.478 116 G N 2.243 111.045 108.800 0.004 0.000 2.716 116 G HA2 0.239 4.199 3.960 -0.000 0.000 0.251 116 G HA3 0.239 4.199 3.960 -0.000 0.000 0.251 116 G C 0.515 175.419 174.900 0.008 0.000 1.224 116 G CA 0.289 45.399 45.100 0.017 0.000 0.891 116 G HN 1.328 nan 8.290 nan 0.000 0.561 117 N N -1.468 117.253 118.700 0.034 0.000 1.856 117 N HA -0.084 4.656 4.740 -0.000 0.000 0.223 117 N C -0.822 174.766 175.510 0.130 0.000 1.438 117 N CA -0.329 52.757 53.050 0.061 0.000 0.693 117 N CB 0.170 38.696 38.487 0.065 0.000 1.051 117 N HN 0.449 nan 8.380 nan 0.000 0.563 118 N N 1.248 120.017 118.700 0.115 0.000 2.456 118 N HA 0.474 5.214 4.740 -0.000 0.000 0.296 118 N C -0.451 175.148 175.510 0.149 0.000 1.102 118 N CA -0.187 52.963 53.050 0.168 0.000 0.924 118 N CB 2.288 40.864 38.487 0.148 0.000 1.186 118 N HN 0.239 nan 8.380 nan 0.000 0.492 119 A N 0.875 123.832 122.820 0.227 0.000 2.252 119 A HA 0.450 4.770 4.320 -0.000 0.000 0.305 119 A C 0.474 178.193 177.584 0.226 0.000 1.097 119 A CA -0.598 51.562 52.037 0.205 0.000 0.849 119 A CB 0.206 19.379 19.000 0.289 0.000 1.142 119 A HN 0.692 nan 8.150 nan 0.000 0.499 120 S N 0.280 116.101 115.700 0.202 0.000 2.563 120 S HA 0.301 4.771 4.470 -0.000 0.000 0.284 120 S C 0.169 174.889 174.600 0.201 0.000 1.331 120 S CA -0.296 58.000 58.200 0.160 0.000 1.047 120 S CB -0.251 63.024 63.200 0.126 0.000 0.859 120 S HN 0.461 nan 8.310 nan 0.000 0.514 121 I N 3.221 123.849 120.570 0.096 0.000 2.710 121 I HA -0.062 4.108 4.170 -0.000 0.000 0.286 121 I C 1.635 177.656 176.117 -0.159 0.000 1.181 121 I CA -0.060 61.267 61.300 0.046 0.000 1.430 121 I CB 0.468 38.480 38.000 0.020 0.000 1.367 121 I HN 0.893 nan 8.210 nan 0.000 0.577 122 M N 5.367 124.720 119.600 -0.410 0.000 2.064 122 M HA 0.088 4.568 4.480 -0.000 0.000 0.260 122 M C 0.849 176.921 176.300 -0.380 0.000 1.073 122 M CA 2.147 56.940 55.300 -0.845 0.000 1.124 122 M CB 0.151 32.059 32.600 -1.153 0.000 1.326 122 M HN 0.781 nan 8.290 nan 0.000 0.410 123 G N -0.625 108.062 108.800 -0.188 0.000 2.356 123 G HA2 0.529 4.489 3.960 -0.000 0.000 0.281 123 G HA3 0.529 4.489 3.960 -0.000 0.000 0.281 123 G C -2.164 172.720 174.900 -0.027 0.000 1.246 123 G CA -0.324 44.655 45.100 -0.202 0.000 0.889 123 G HN 0.678 nan 8.290 nan 0.000 0.486 124 A N -0.455 122.320 122.820 -0.075 0.000 2.449 124 A HA 0.858 5.178 4.320 -0.000 0.000 0.302 124 A C -0.473 177.171 177.584 0.100 0.000 1.048 124 A CA -0.490 51.596 52.037 0.082 0.000 0.708 124 A CB 1.834 20.844 19.000 0.017 0.000 1.274 124 A HN 0.878 nan 8.150 nan 0.000 0.410 125 R N 2.340 122.948 120.500 0.181 0.000 2.207 125 R HA 0.536 4.876 4.340 -0.000 0.000 0.334 125 R C -1.415 174.900 176.300 0.025 0.000 1.013 125 R CA -0.439 55.726 56.100 0.108 0.000 0.858 125 R CB 0.355 30.782 30.300 0.212 0.000 1.094 125 R HN 0.692 nan 8.270 nan 0.000 0.457 126 L N 6.397 127.589 121.223 -0.052 0.000 2.315 126 L HA 0.225 4.565 4.340 -0.000 0.000 0.278 126 L C -0.409 176.537 176.870 0.127 0.000 1.088 126 L CA -0.776 54.027 54.840 -0.061 0.000 0.899 126 L CB 0.854 42.693 42.059 -0.367 0.000 1.277 126 L HN 0.460 nan 8.230 nan 0.000 0.431 127 L N 5.673 126.963 121.223 0.112 0.000 2.407 127 L HA 0.179 4.519 4.340 -0.000 0.000 0.282 127 L C -0.298 176.680 176.870 0.180 0.000 1.110 127 L CA 0.162 55.082 54.840 0.134 0.000 0.863 127 L CB -0.327 41.772 42.059 0.066 0.000 1.207 127 L HN 0.331 nan 8.230 nan 0.000 0.454 128 Y N 3.894 124.262 120.300 0.113 0.000 2.509 128 Y HA 0.695 5.245 4.550 -0.000 0.000 0.341 128 Y C -1.109 174.838 175.900 0.079 0.000 1.038 128 Y CA -1.873 56.288 58.100 0.101 0.000 1.089 128 Y CB 1.190 39.740 38.460 0.151 0.000 1.241 128 Y HN 0.448 nan 8.280 nan 0.000 0.468 129 L N 5.351 126.582 121.223 0.013 0.000 2.262 129 L HA 0.617 4.957 4.340 -0.000 0.000 0.288 129 L C -2.807 174.087 176.870 0.041 0.000 1.035 129 L CA -2.717 52.054 54.840 -0.115 0.000 0.820 129 L CB 0.840 42.858 42.059 -0.070 0.000 1.204 129 L HN 0.476 nan 8.230 nan 0.000 0.424 130 P HA -0.032 nan 4.420 nan 0.000 0.259 130 P C -0.958 176.182 177.300 -0.267 0.000 1.163 130 P CA 0.603 63.720 63.100 0.028 0.000 0.760 130 P CB 0.447 32.207 31.700 0.099 0.000 0.762 131 S N 2.408 117.874 115.700 -0.389 0.000 2.536 131 S HA 0.599 5.069 4.470 -0.000 0.000 0.298 131 S C -0.130 173.955 174.600 -0.858 0.000 1.083 131 S CA -0.590 57.255 58.200 -0.592 0.000 0.995 131 S CB 0.398 63.586 63.200 -0.019 0.000 1.058 131 S HN 0.227 nan 8.310 nan 0.000 0.488 132 F N 1.869 121.439 119.950 -0.632 0.000 2.682 132 F HA 0.490 5.017 4.527 -0.000 0.000 0.308 132 F C 1.251 176.865 175.800 -0.310 0.000 1.093 132 F CA 0.055 57.732 58.000 -0.538 0.000 1.244 132 F CB 0.577 39.064 39.000 -0.855 0.000 1.052 132 F HN 0.865 nan 8.300 nan 0.000 0.573 133 G N 2.093 110.892 108.800 -0.002 0.000 3.436 133 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.685 133 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.685 133 G C -0.384 174.674 174.900 0.263 0.000 1.039 133 G CA -1.269 43.918 45.100 0.145 0.000 0.879 133 G HN 0.025 nan 8.290 nan 0.000 0.478 134 I N 1.969 122.764 120.570 0.376 0.000 3.192 134 I HA 0.013 4.183 4.170 -0.000 0.000 0.314 134 I C 1.151 177.424 176.117 0.260 0.000 1.243 134 I CA 1.493 63.021 61.300 0.381 0.000 1.404 134 I CB -0.882 37.242 38.000 0.206 0.000 1.374 134 I HN 0.919 nan 8.210 nan 0.000 0.522 135 S N 3.299 119.183 115.700 0.306 0.000 2.672 135 S HA 0.651 5.121 4.470 -0.000 0.000 0.291 135 S C 0.153 174.828 174.600 0.124 0.000 1.145 135 S CA -0.617 57.678 58.200 0.159 0.000 1.013 135 S CB 1.888 65.150 63.200 0.104 0.000 1.017 135 S HN 0.645 nan 8.310 nan 0.000 0.487 136 T N -1.549 113.045 114.554 0.067 0.000 3.541 136 T HA 0.428 4.778 4.350 -0.000 0.000 0.309 136 T C -0.134 174.577 174.700 0.018 0.000 0.973 136 T CA -0.321 61.804 62.100 0.041 0.000 0.993 136 T CB -0.086 68.801 68.868 0.031 0.000 1.206 136 T HN 0.646 nan 8.240 nan 0.000 0.489 137 T N 0.378 114.937 114.554 0.009 0.000 2.883 137 T HA 0.403 4.753 4.350 -0.000 0.000 0.301 137 T C 1.068 175.758 174.700 -0.017 0.000 1.158 137 T CA -0.685 61.411 62.100 -0.006 0.000 1.007 137 T CB 2.046 70.907 68.868 -0.011 0.000 1.186 137 T HN -0.140 nan 8.240 nan 0.000 0.499 138 V N 1.447 121.349 119.914 -0.020 0.000 3.186 138 V HA 0.000 4.120 4.120 -0.000 0.000 0.270 138 V C 1.437 177.510 176.094 -0.036 0.000 1.149 138 V CA 1.500 63.784 62.300 -0.026 0.000 1.160 138 V CB -0.879 30.930 31.823 -0.024 0.000 0.758 138 V HN 0.695 nan 8.190 nan 0.000 0.516 139 L N -1.569 119.628 121.223 -0.043 0.000 2.993 139 L HA 0.287 4.627 4.340 -0.000 0.000 0.264 139 L C 0.825 177.632 176.870 -0.106 0.000 1.154 139 L CA 0.045 54.842 54.840 -0.071 0.000 0.972 139 L CB 0.433 42.456 42.059 -0.060 0.000 1.373 139 L HN 0.128 nan 8.230 nan 0.000 0.564 140 D N 1.481 121.839 120.400 -0.069 0.000 2.906 140 D HA 0.067 4.707 4.640 -0.000 0.000 0.237 140 D C 1.411 177.655 176.300 -0.094 0.000 1.201 140 D CA 1.108 55.069 54.000 -0.065 0.000 0.998 140 D CB -0.113 40.682 40.800 -0.007 0.000 1.183 140 D HN 0.464 nan 8.370 nan 0.000 0.436 141 G N 0.880 109.543 108.800 -0.227 0.000 5.359 141 G HA2 -0.456 3.504 3.960 -0.000 0.000 0.333 141 G HA3 -0.456 3.504 3.960 -0.000 0.000 0.333 141 G C 1.203 176.103 174.900 -0.000 0.000 1.365 141 G CA 0.460 45.391 45.100 -0.283 0.000 1.008 141 G HN 0.464 nan 8.290 nan 0.000 0.816 142 L N 1.346 122.581 121.223 0.020 0.000 2.064 142 L HA -0.087 4.253 4.340 -0.000 0.000 0.216 142 L C 2.955 179.820 176.870 -0.010 0.000 1.077 142 L CA 3.406 58.227 54.840 -0.030 0.000 0.766 142 L CB -0.558 41.417 42.059 -0.139 0.000 0.890 142 L HN 0.489 nan 8.230 nan 0.000 0.435 143 S N -1.403 114.286 115.700 -0.018 0.000 2.371 143 S HA -0.125 4.345 4.470 -0.000 0.000 0.224 143 S C 1.890 176.505 174.600 0.025 0.000 1.029 143 S CA 1.428 59.620 58.200 -0.012 0.000 0.978 143 S CB -0.204 62.979 63.200 -0.028 0.000 0.833 143 S HN 0.373 nan 8.310 nan 0.000 0.466 144 M N 1.553 121.169 119.600 0.027 0.000 2.082 144 M HA -0.187 4.293 4.480 -0.000 0.000 0.258 144 M C 2.596 179.003 176.300 0.179 0.000 1.071 144 M CA 1.864 57.213 55.300 0.082 0.000 1.103 144 M CB -1.486 31.134 32.600 0.033 0.000 1.307 144 M HN 0.404 nan 8.290 nan 0.000 0.409 145 A N 0.297 123.286 122.820 0.281 0.000 1.927 145 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 145 A C 2.425 180.145 177.584 0.227 0.000 1.185 145 A CA 2.701 54.912 52.037 0.291 0.000 0.639 145 A CB -1.067 18.163 19.000 0.385 0.000 0.820 145 A HN 0.569 nan 8.150 nan 0.000 0.451 146 A N 0.176 123.099 122.820 0.172 0.000 1.851 146 A HA -0.244 4.076 4.320 -0.000 0.000 0.216 146 A C 1.985 179.661 177.584 0.153 0.000 1.195 146 A CA 1.830 53.962 52.037 0.158 0.000 0.622 146 A CB -0.786 18.256 19.000 0.070 0.000 0.831 146 A HN 0.584 nan 8.150 nan 0.000 0.444 147 N N -0.400 118.346 118.700 0.077 0.000 2.061 147 N HA -0.242 4.498 4.740 -0.000 0.000 0.193 147 N C 1.922 177.512 175.510 0.133 0.000 1.030 147 N CA 1.802 54.882 53.050 0.049 0.000 0.856 147 N CB -0.535 37.957 38.487 0.009 0.000 1.023 147 N HN 0.715 nan 8.380 nan 0.000 0.424 148 Q N 0.827 120.693 119.800 0.111 0.000 1.998 148 Q HA -0.162 4.178 4.340 -0.000 0.000 0.209 148 Q C 2.268 178.345 176.000 0.129 0.000 1.002 148 Q CA 1.577 57.421 55.803 0.069 0.000 0.858 148 Q CB -0.334 28.399 28.738 -0.007 0.000 0.932 148 Q HN 0.357 nan 8.270 nan 0.000 0.416 149 L N -0.508 120.836 121.223 0.201 0.000 1.944 149 L HA -0.296 4.044 4.340 -0.000 0.000 0.218 149 L C 2.342 179.405 176.870 0.322 0.000 1.075 149 L CA 2.132 57.151 54.840 0.299 0.000 0.767 149 L CB -0.673 41.643 42.059 0.428 0.000 0.890 149 L HN 0.474 nan 8.230 nan 0.000 0.434 150 Y N 0.603 121.002 120.300 0.164 0.000 2.062 150 Y HA -0.458 4.092 4.550 -0.000 0.000 0.273 150 Y C 2.397 178.330 175.900 0.054 0.000 1.206 150 Y CA 2.358 60.514 58.100 0.092 0.000 1.125 150 Y CB -0.789 37.690 38.460 0.030 0.000 0.951 150 Y HN 0.388 nan 8.280 nan 0.000 0.501 151 A N -0.535 122.465 122.820 0.300 0.000 1.892 151 A HA -0.322 3.998 4.320 -0.000 0.000 0.218 151 A C 2.167 179.785 177.584 0.057 0.000 1.188 151 A CA 1.997 54.130 52.037 0.160 0.000 0.631 151 A CB -1.762 17.322 19.000 0.140 0.000 0.822 151 A HN 0.753 nan 8.150 nan 0.000 0.447 152 Y N 0.730 121.006 120.300 -0.040 0.000 2.274 152 Y HA -0.155 4.395 4.550 -0.000 0.000 0.290 152 Y C 2.242 178.064 175.900 -0.131 0.000 1.145 152 Y CA 1.584 59.614 58.100 -0.116 0.000 1.203 152 Y CB -0.234 38.124 38.460 -0.170 0.000 0.984 152 Y HN 0.089 nan 8.280 nan 0.000 0.533 153 V N 0.162 119.985 119.914 -0.152 0.000 2.302 153 V HA -0.178 3.942 4.120 -0.000 0.000 0.243 153 V C 2.490 178.422 176.094 -0.269 0.000 1.036 153 V CA 1.853 64.025 62.300 -0.212 0.000 1.020 153 V CB -0.634 31.176 31.823 -0.022 0.000 0.657 153 V HN 0.152 nan 8.190 nan 0.000 0.453 154 R N 0.581 120.888 120.500 -0.321 0.000 2.189 154 R HA -0.101 4.239 4.340 -0.000 0.000 0.223 154 R C 2.089 178.270 176.300 -0.199 0.000 1.092 154 R CA 1.066 56.983 56.100 -0.306 0.000 0.989 154 R CB -0.685 29.332 30.300 -0.472 0.000 0.876 154 R HN 0.606 nan 8.270 nan 0.000 0.457 155 K N 0.482 120.762 120.400 -0.199 0.000 1.974 155 K HA -0.216 4.104 4.320 -0.000 0.000 0.233 155 K C 0.817 177.333 176.600 -0.141 0.000 1.017 155 K CA 2.754 58.945 56.287 -0.160 0.000 1.030 155 K CB -0.366 31.996 32.500 -0.231 0.000 0.728 155 K HN 0.239 nan 8.250 nan 0.000 0.455 156 S N 0.590 116.184 115.700 -0.178 0.000 2.582 156 S HA 0.142 4.612 4.470 -0.000 0.000 0.249 156 S C -0.066 174.471 174.600 -0.106 0.000 1.072 156 S CA -0.801 57.323 58.200 -0.127 0.000 1.115 156 S CB -0.177 62.944 63.200 -0.130 0.000 0.790 156 S HN 0.314 nan 8.310 nan 0.000 0.459 157 N N 1.184 119.822 118.700 -0.104 0.000 2.419 157 N HA 0.275 5.015 4.740 -0.000 0.000 0.277 157 N C 0.102 175.584 175.510 -0.047 0.000 1.006 157 N CA -0.249 52.758 53.050 -0.072 0.000 0.923 157 N CB 1.751 40.190 38.487 -0.080 0.000 1.140 157 N HN 0.120 nan 8.380 nan 0.000 0.488 158 S N 1.128 116.811 115.700 -0.028 0.000 2.562 158 S HA 0.121 4.591 4.470 -0.000 0.000 0.221 158 S C 1.163 175.760 174.600 -0.004 0.000 0.975 158 S CA -0.177 58.014 58.200 -0.016 0.000 0.918 158 S CB -0.063 63.130 63.200 -0.012 0.000 0.772 158 S HN 0.723 nan 8.310 nan 0.000 0.531 159 G N 1.225 110.027 108.800 0.004 0.000 2.590 159 G HA2 0.514 4.474 3.960 -0.000 0.000 0.276 159 G HA3 0.514 4.474 3.960 -0.000 0.000 0.276 159 G C -0.194 174.721 174.900 0.024 0.000 1.337 159 G CA -0.051 45.061 45.100 0.021 0.000 1.030 159 G HN 0.474 nan 8.290 nan 0.000 0.534 160 A N -0.763 122.083 122.820 0.042 0.000 2.320 160 A HA 0.611 4.931 4.320 -0.000 0.000 0.334 160 A C 0.516 178.143 177.584 0.072 0.000 1.147 160 A CA -0.724 51.340 52.037 0.045 0.000 0.820 160 A CB 0.830 19.855 19.000 0.041 0.000 1.218 160 A HN 0.700 nan 8.150 nan 0.000 0.482 161 K N 1.645 122.082 120.400 0.062 0.000 2.323 161 K HA 0.038 4.358 4.320 -0.000 0.000 0.262 161 K C -0.271 176.416 176.600 0.146 0.000 1.238 161 K CA 0.323 56.659 56.287 0.082 0.000 1.249 161 K CB -0.164 32.379 32.500 0.073 0.000 0.805 161 K HN 0.414 nan 8.250 nan 0.000 0.489 162 V N 5.825 125.905 119.914 0.276 0.000 3.528 162 V HA 0.113 4.233 4.120 -0.000 0.000 0.294 162 V C -0.792 175.658 176.094 0.593 0.000 1.404 162 V CA -0.198 62.330 62.300 0.379 0.000 1.065 162 V CB -0.963 31.055 31.823 0.325 0.000 0.904 162 V HN 0.781 nan 8.190 nan 0.000 0.435 163 Y N -3.003 117.379 120.300 0.137 0.000 2.452 163 Y HA 0.670 5.220 4.550 -0.000 0.000 0.323 163 Y C -0.746 175.312 175.900 0.262 0.000 1.244 163 Y CA -1.411 56.787 58.100 0.163 0.000 1.158 163 Y CB 0.520 39.078 38.460 0.163 0.000 1.332 163 Y HN -0.099 nan 8.280 nan 0.000 0.456 164 E N 1.564 121.850 120.200 0.143 0.000 2.391 164 E HA 0.529 4.879 4.350 -0.000 0.000 0.255 164 E C 1.118 177.603 176.600 -0.193 0.000 1.187 164 E CA 0.833 57.183 56.400 -0.083 0.000 0.941 164 E CB 1.213 30.864 29.700 -0.082 0.000 1.010 164 E HN 0.779 nan 8.360 nan 0.000 0.458 165 A N 2.919 125.297 122.820 -0.738 0.000 1.881 165 A HA -0.215 4.105 4.320 -0.000 0.000 0.219 165 A C -0.690 176.855 177.584 -0.065 0.000 1.215 165 A CA 2.272 53.928 52.037 -0.635 0.000 0.648 165 A CB -1.897 16.750 19.000 -0.589 0.000 0.832 165 A HN 0.595 nan 8.150 nan 0.000 0.455 166 P HA -0.107 nan 4.420 nan 0.000 0.215 166 P C 0.539 177.901 177.300 0.104 0.000 1.157 166 P CA 1.558 64.670 63.100 0.019 0.000 0.868 166 P CB -0.238 31.453 31.700 -0.014 0.000 0.788 167 D N -0.938 119.547 120.400 0.142 0.000 2.200 167 D HA -0.203 4.437 4.640 -0.000 0.000 0.192 167 D C 1.820 178.316 176.300 0.327 0.000 1.008 167 D CA 0.980 55.120 54.000 0.235 0.000 0.872 167 D CB -0.721 40.265 40.800 0.310 0.000 0.923 167 D HN 0.084 nan 8.370 nan 0.000 0.447 168 L N -0.435 121.030 121.223 0.403 0.000 1.982 168 L HA -0.141 4.199 4.340 -0.000 0.000 0.206 168 L C 2.178 179.218 176.870 0.284 0.000 1.078 168 L CA 1.173 56.274 54.840 0.434 0.000 0.749 168 L CB -0.397 41.976 42.059 0.523 0.000 0.894 168 L HN 0.105 nan 8.230 nan 0.000 0.436 169 M N 0.112 119.853 119.600 0.234 0.000 2.128 169 M HA -0.340 4.140 4.480 -0.000 0.000 0.253 169 M C 2.169 178.511 176.300 0.069 0.000 1.079 169 M CA 2.311 57.697 55.300 0.142 0.000 1.082 169 M CB -0.605 32.050 32.600 0.092 0.000 1.335 169 M HN 0.385 nan 8.290 nan 0.000 0.401 170 M N -0.431 119.225 119.600 0.094 0.000 2.073 170 M HA -0.204 4.276 4.480 -0.000 0.000 0.258 170 M C 1.960 178.381 176.300 0.202 0.000 1.070 170 M CA 2.677 58.038 55.300 0.102 0.000 1.103 170 M CB -1.066 31.627 32.600 0.155 0.000 1.321 170 M HN 0.464 nan 8.290 nan 0.000 0.405 171 T N 0.017 114.730 114.554 0.265 0.000 2.635 171 T HA -0.165 4.185 4.350 -0.000 0.000 0.267 171 T C 1.813 176.573 174.700 0.100 0.000 1.040 171 T CA 2.135 64.324 62.100 0.148 0.000 1.156 171 T CB -0.861 68.092 68.868 0.141 0.000 0.863 171 T HN 0.309 nan 8.240 nan 0.000 0.430 172 V N 1.731 121.696 119.914 0.084 0.000 2.231 172 V HA -0.200 3.920 4.120 -0.000 0.000 0.248 172 V C 2.513 178.579 176.094 -0.048 0.000 1.054 172 V CA 1.750 64.050 62.300 0.000 0.000 1.015 172 V CB -1.174 30.619 31.823 -0.050 0.000 0.638 172 V HN 0.331 nan 8.190 nan 0.000 0.444 173 L N 0.649 121.818 121.223 -0.089 0.000 2.043 173 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 173 L C 2.754 179.634 176.870 0.016 0.000 1.075 173 L CA 2.082 56.862 54.840 -0.101 0.000 0.752 173 L CB -1.012 40.882 42.059 -0.275 0.000 0.891 173 L HN 0.349 nan 8.230 nan 0.000 0.432 174 A N 0.130 122.993 122.820 0.073 0.000 1.873 174 A HA -0.245 4.075 4.320 -0.000 0.000 0.218 174 A C 2.295 179.969 177.584 0.149 0.000 1.193 174 A CA 2.166 54.298 52.037 0.158 0.000 0.629 174 A CB -0.852 18.268 19.000 0.200 0.000 0.826 174 A HN 0.391 nan 8.150 nan 0.000 0.447 175 I N -0.720 119.935 120.570 0.143 0.000 2.163 175 I HA -0.339 3.831 4.170 -0.000 0.000 0.243 175 I C 2.857 179.107 176.117 0.223 0.000 1.085 175 I CA 1.990 63.402 61.300 0.188 0.000 1.347 175 I CB -0.550 37.572 38.000 0.203 0.000 1.044 175 I HN 0.600 nan 8.210 nan 0.000 0.408 176 Q N 1.074 120.949 119.800 0.125 0.000 1.985 176 Q HA -0.271 4.069 4.340 -0.000 0.000 0.207 176 Q C 2.117 178.234 176.000 0.195 0.000 0.996 176 Q CA 1.879 57.738 55.803 0.093 0.000 0.851 176 Q CB -0.015 28.713 28.738 -0.016 0.000 0.921 176 Q HN 0.342 nan 8.270 nan 0.000 0.418 177 E N 0.186 120.508 120.200 0.203 0.000 2.219 177 E HA -0.205 4.145 4.350 -0.000 0.000 0.198 177 E C 1.769 178.503 176.600 0.223 0.000 0.998 177 E CA 1.077 57.636 56.400 0.265 0.000 0.818 177 E CB -0.377 29.547 29.700 0.373 0.000 0.741 177 E HN 0.516 nan 8.360 nan 0.000 0.477 178 A N 0.242 123.156 122.820 0.156 0.000 1.877 178 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 178 A C 2.062 179.650 177.584 0.007 0.000 1.186 178 A CA 1.339 53.391 52.037 0.025 0.000 0.620 178 A CB -0.936 18.012 19.000 -0.087 0.000 0.822 178 A HN 0.261 nan 8.150 nan 0.000 0.443 179 Y N -0.487 119.788 120.300 -0.042 0.000 2.165 179 Y HA -0.213 4.337 4.550 -0.000 0.000 0.286 179 Y C 2.546 178.501 175.900 0.092 0.000 1.155 179 Y CA 1.912 59.960 58.100 -0.087 0.000 1.164 179 Y CB -0.245 38.169 38.460 -0.077 0.000 0.978 179 Y HN 0.259 nan 8.280 nan 0.000 0.513 180 R N -0.057 120.661 120.500 0.364 0.000 2.211 180 R HA -0.168 4.172 4.340 -0.000 0.000 0.240 180 R C 1.644 178.150 176.300 0.344 0.000 1.144 180 R CA 1.347 57.675 56.100 0.380 0.000 0.992 180 R CB -0.286 30.203 30.300 0.315 0.000 0.869 180 R HN 0.264 nan 8.270 nan 0.000 0.462 181 V N 0.529 120.592 119.914 0.248 0.000 2.341 181 V HA -0.162 3.958 4.120 -0.000 0.000 0.240 181 V C 2.285 178.459 176.094 0.133 0.000 1.035 181 V CA 1.078 63.517 62.300 0.233 0.000 1.033 181 V CB -0.472 31.456 31.823 0.175 0.000 0.678 181 V HN 0.335 nan 8.190 nan 0.000 0.464 182 L N -0.758 120.453 121.223 -0.019 0.000 2.064 182 L HA -0.295 4.045 4.340 -0.000 0.000 0.216 182 L C 2.382 179.312 176.870 0.099 0.000 1.077 182 L CA 2.214 56.982 54.840 -0.119 0.000 0.766 182 L CB -0.351 41.493 42.059 -0.359 0.000 0.890 182 L HN 0.303 nan 8.230 nan 0.000 0.435 183 F N 0.103 120.178 119.950 0.208 0.000 2.102 183 F HA -0.275 4.252 4.527 -0.000 0.000 0.298 183 F C 2.588 178.490 175.800 0.171 0.000 1.105 183 F CA 1.523 59.662 58.000 0.232 0.000 1.239 183 F CB -0.100 39.028 39.000 0.214 0.000 0.991 183 F HN 0.111 nan 8.300 nan 0.000 0.474 184 E N 0.472 120.885 120.200 0.355 0.000 2.160 184 E HA -0.222 4.128 4.350 -0.000 0.000 0.195 184 E C 2.146 178.833 176.600 0.145 0.000 0.991 184 E CA 1.082 57.612 56.400 0.216 0.000 0.810 184 E CB -0.126 29.698 29.700 0.207 0.000 0.742 184 E HN 0.445 nan 8.360 nan 0.000 0.466 185 I N 0.079 120.741 120.570 0.154 0.000 2.202 185 I HA -0.256 3.914 4.170 -0.000 0.000 0.242 185 I C 2.664 178.855 176.117 0.124 0.000 1.091 185 I CA 0.882 62.255 61.300 0.122 0.000 1.368 185 I CB -0.257 37.777 38.000 0.056 0.000 1.058 185 I HN 0.067 nan 8.210 nan 0.000 0.410 186 R N 1.366 121.953 120.500 0.145 0.000 2.080 186 R HA -0.240 4.100 4.340 -0.000 0.000 0.236 186 R C 2.595 178.914 176.300 0.033 0.000 1.137 186 R CA 1.863 57.894 56.100 -0.115 0.000 0.943 186 R CB -0.369 29.989 30.300 0.097 0.000 0.846 186 R HN 0.201 nan 8.270 nan 0.000 0.431 187 R N 0.388 120.982 120.500 0.157 0.000 2.113 187 R HA -0.226 4.114 4.340 -0.000 0.000 0.244 187 R C 2.005 178.420 176.300 0.193 0.000 1.142 187 R CA 2.049 58.264 56.100 0.192 0.000 0.953 187 R CB -0.591 29.762 30.300 0.087 0.000 0.860 187 R HN 0.369 nan 8.270 nan 0.000 0.438 188 A N 1.389 124.260 122.820 0.084 0.000 1.865 188 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 188 A C 2.318 180.129 177.584 0.378 0.000 1.191 188 A CA 1.877 53.978 52.037 0.107 0.000 0.623 188 A CB -0.591 18.470 19.000 0.102 0.000 0.826 188 A HN 0.441 nan 8.150 nan 0.000 0.444 189 I N -0.385 120.328 120.570 0.238 0.000 2.252 189 I HA -0.207 3.963 4.170 -0.000 0.000 0.245 189 I C 2.552 178.786 176.117 0.194 0.000 1.102 189 I CA 1.692 63.114 61.300 0.203 0.000 1.385 189 I CB -0.889 37.147 38.000 0.061 0.000 1.064 189 I HN 0.298 nan 8.210 nan 0.000 0.414 190 T N 0.948 115.595 114.554 0.154 0.000 2.674 190 T HA -0.153 4.197 4.350 -0.000 0.000 0.265 190 T C 1.579 176.356 174.700 0.129 0.000 1.039 190 T CA 1.470 63.628 62.100 0.096 0.000 1.150 190 T CB -0.525 68.371 68.868 0.047 0.000 0.864 190 T HN 0.132 nan 8.240 nan 0.000 0.427 191 F N 1.516 121.597 119.950 0.218 0.000 2.771 191 F HA 0.275 4.802 4.527 -0.000 0.000 0.299 191 F C 2.315 178.362 175.800 0.412 0.000 1.177 191 F CA -0.090 58.092 58.000 0.303 0.000 1.450 191 F CB -0.429 38.734 39.000 0.271 0.000 1.114 191 F HN 0.142 nan 8.300 nan 0.000 0.587 192 A N -0.565 122.571 122.820 0.528 0.000 2.239 192 A HA -0.060 4.260 4.320 -0.000 0.000 0.209 192 A C 1.849 179.662 177.584 0.382 0.000 1.171 192 A CA 0.969 53.216 52.037 0.351 0.000 0.768 192 A CB -0.468 18.678 19.000 0.244 0.000 0.790 192 A HN 0.276 nan 8.150 nan 0.000 0.478 193 N N -1.775 117.130 118.700 0.341 0.000 2.220 193 N HA 0.063 4.803 4.740 -0.000 0.000 0.195 193 N C -0.705 175.094 175.510 0.480 0.000 1.123 193 N CA 0.053 53.339 53.050 0.392 0.000 0.874 193 N CB 0.190 38.812 38.487 0.224 0.000 0.995 193 N HN 0.501 nan 8.380 nan 0.000 0.498 194 Y N 0.642 121.040 120.300 0.164 0.000 2.404 194 Y HA 0.217 4.767 4.550 -0.000 0.000 0.344 194 Y C -1.031 174.847 175.900 -0.038 0.000 0.995 194 Y CA -0.736 57.426 58.100 0.104 0.000 1.201 194 Y CB 0.026 38.504 38.460 0.030 0.000 1.151 194 Y HN -0.101 nan 8.280 nan 0.000 0.517 195 W N 5.385 126.453 121.300 -0.388 0.000 2.883 195 W HA 0.434 5.094 4.660 -0.000 0.000 0.335 195 W C -0.820 175.431 176.519 -0.448 0.000 1.083 195 W CA -0.831 56.329 57.345 -0.309 0.000 1.233 195 W CB 1.444 30.832 29.460 -0.121 0.000 1.412 195 W HN 0.370 nan 8.180 nan 0.000 0.490 196 N N 2.511 121.151 118.700 -0.099 0.000 2.430 196 N HA 0.096 4.836 4.740 -0.000 0.000 0.290 196 N C 0.083 175.669 175.510 0.125 0.000 1.063 196 N CA -0.547 52.496 53.050 -0.012 0.000 0.883 196 N CB 1.084 39.541 38.487 -0.049 0.000 1.465 196 N HN 0.460 nan 8.380 nan 0.000 0.493 197 F N 3.075 123.027 119.950 0.002 0.000 2.323 197 F HA -0.077 4.450 4.527 -0.000 0.000 0.301 197 F C 0.487 176.126 175.800 -0.269 0.000 1.060 197 F CA 1.440 59.341 58.000 -0.165 0.000 1.398 197 F CB 0.177 38.993 39.000 -0.306 0.000 1.075 197 F HN 0.576 nan 8.300 nan 0.000 0.540 198 W N -0.286 120.967 121.300 -0.077 0.000 3.220 198 W HA 0.261 4.921 4.660 -0.000 0.000 0.328 198 W C 0.404 176.877 176.519 -0.078 0.000 1.205 198 W CA -0.260 56.996 57.345 -0.148 0.000 1.773 198 W CB 0.029 29.496 29.460 0.013 0.000 1.086 198 W HN -0.200 nan 8.180 nan 0.000 0.622 199 N N 0.951 119.723 118.700 0.120 0.000 2.727 199 N HA 0.066 4.806 4.740 -0.000 0.000 0.252 199 N C 0.712 176.254 175.510 0.055 0.000 1.283 199 N CA -0.023 53.109 53.050 0.136 0.000 0.782 199 N CB 0.745 39.340 38.487 0.180 0.000 1.199 199 N HN -0.211 nan 8.380 nan 0.000 0.520 200 K N 1.058 121.447 120.400 -0.017 0.000 2.585 200 K HA -0.052 4.268 4.320 -0.000 0.000 0.194 200 K C 0.737 177.279 176.600 -0.095 0.000 1.037 200 K CA 0.504 56.749 56.287 -0.068 0.000 0.964 200 K CB 0.037 32.487 32.500 -0.084 0.000 0.787 200 K HN 0.567 nan 8.250 nan 0.000 0.488 201 Y N 0.754 121.028 120.300 -0.042 0.000 2.153 201 Y HA -0.119 4.431 4.550 -0.000 0.000 0.289 201 Y C 2.244 178.050 175.900 -0.156 0.000 1.119 201 Y CA 0.628 58.687 58.100 -0.067 0.000 1.116 201 Y CB -0.258 38.191 38.460 -0.020 0.000 1.004 201 Y HN -0.145 nan 8.280 nan 0.000 0.501 202 L N 0.270 121.532 121.223 0.065 0.000 2.238 202 L HA -0.377 3.963 4.340 -0.000 0.000 0.250 202 L C -0.356 176.316 176.870 -0.330 0.000 1.098 202 L CA 2.150 56.947 54.840 -0.071 0.000 0.839 202 L CB -2.269 39.758 42.059 -0.053 0.000 0.951 202 L HN 0.188 nan 8.230 nan 0.000 0.432 203 P HA -0.293 nan 4.420 nan 0.000 0.215 203 P C 1.161 177.742 177.300 -1.200 0.000 0.896 203 P CA 2.158 64.489 63.100 -1.281 0.000 1.030 203 P CB -0.156 30.125 31.700 -2.366 0.000 0.731 204 K N -0.816 118.850 120.400 -1.224 0.000 2.011 204 K HA -0.121 4.199 4.320 -0.000 0.000 0.216 204 K C 2.455 178.786 176.600 -0.449 0.000 1.026 204 K CA 0.908 56.475 56.287 -1.199 0.000 0.987 204 K CB -0.592 31.450 32.500 -0.762 0.000 0.907 204 K HN -0.050 nan 8.250 nan 0.000 0.448 205 Q N 0.278 119.930 119.800 -0.246 0.000 2.226 205 Q HA -0.277 4.063 4.340 -0.000 0.000 0.220 205 Q C 2.140 178.114 176.000 -0.043 0.000 1.037 205 Q CA 2.108 57.867 55.803 -0.073 0.000 0.940 205 Q CB -1.400 27.363 28.738 0.043 0.000 1.037 205 Q HN 0.335 nan 8.270 nan 0.000 0.420 206 V N 0.300 120.205 119.914 -0.015 0.000 2.343 206 V HA -0.228 3.892 4.120 -0.000 0.000 0.247 206 V C 2.127 178.231 176.094 0.017 0.000 1.051 206 V CA 1.844 64.131 62.300 -0.021 0.000 1.036 206 V CB -0.653 31.186 31.823 0.027 0.000 0.654 206 V HN 0.123 nan 8.190 nan 0.000 0.451 207 F N 0.909 120.780 119.950 -0.131 0.000 2.046 207 F HA -0.176 4.351 4.527 -0.000 0.000 0.297 207 F C 2.561 178.320 175.800 -0.068 0.000 1.123 207 F CA 1.893 59.868 58.000 -0.041 0.000 1.199 207 F CB -0.800 38.275 39.000 0.126 0.000 0.972 207 F HN 0.240 nan 8.300 nan 0.000 0.474 208 E N -0.681 119.606 120.200 0.145 0.000 2.118 208 E HA -0.234 4.116 4.350 -0.000 0.000 0.195 208 E C 2.039 178.568 176.600 -0.118 0.000 0.992 208 E CA 1.318 57.737 56.400 0.032 0.000 0.804 208 E CB -0.194 29.521 29.700 0.026 0.000 0.741 208 E HN 0.466 nan 8.360 nan 0.000 0.458 209 Q N -0.086 119.544 119.800 -0.282 0.000 2.387 209 Q HA 0.126 4.466 4.340 -0.000 0.000 0.208 209 Q C 2.428 178.047 176.000 -0.635 0.000 0.935 209 Q CA 0.435 55.832 55.803 -0.677 0.000 0.891 209 Q CB -0.137 27.827 28.738 -1.291 0.000 1.007 209 Q HN 0.268 nan 8.270 nan 0.000 0.548 210 L N 0.040 121.002 121.223 -0.435 0.000 2.072 210 L HA -0.083 4.257 4.340 -0.000 0.000 0.205 210 L C 1.527 178.295 176.870 -0.169 0.000 1.079 210 L CA 0.844 55.538 54.840 -0.244 0.000 0.752 210 L CB -0.095 41.844 42.059 -0.199 0.000 0.906 210 L HN 0.123 nan 8.230 nan 0.000 0.436 211 L N -0.998 120.103 121.223 -0.203 0.000 2.638 211 L HA 0.359 4.699 4.340 -0.000 0.000 0.232 211 L C 1.050 177.826 176.870 -0.157 0.000 1.099 211 L CA 0.470 55.191 54.840 -0.198 0.000 0.883 211 L CB -0.160 41.690 42.059 -0.347 0.000 1.136 211 L HN 0.114 nan 8.230 nan 0.000 0.492 212 A N 0.875 123.619 122.820 -0.126 0.000 2.734 212 A HA -0.141 4.179 4.320 -0.000 0.000 0.296 212 A C -0.082 177.457 177.584 -0.074 0.000 1.474 212 A CA 0.510 52.492 52.037 -0.092 0.000 0.735 212 A CB -2.248 16.687 19.000 -0.108 0.000 1.062 212 A HN 0.133 nan 8.150 nan 0.000 0.463 213 I N 0.237 120.811 120.570 0.007 0.000 2.499 213 I HA 0.305 4.475 4.170 -0.000 0.000 0.288 213 I C 0.122 176.371 176.117 0.220 0.000 1.048 213 I CA -1.068 60.285 61.300 0.089 0.000 1.062 213 I CB 1.642 39.707 38.000 0.110 0.000 1.238 213 I HN 0.410 nan 8.210 nan 0.000 0.426 214 D N 4.851 125.349 120.400 0.163 0.000 2.356 214 D HA -0.072 4.568 4.640 -0.000 0.000 0.272 214 D C 0.786 177.219 176.300 0.222 0.000 1.337 214 D CA 0.380 54.483 54.000 0.172 0.000 0.970 214 D CB 0.348 41.217 40.800 0.116 0.000 1.092 214 D HN 0.423 nan 8.370 nan 0.000 0.516 215 F N 3.709 123.724 119.950 0.108 0.000 2.060 215 F HA -0.186 4.341 4.527 -0.000 0.000 0.295 215 F C 1.887 177.697 175.800 0.017 0.000 1.120 215 F CA 1.246 59.264 58.000 0.030 0.000 1.205 215 F CB 0.160 39.111 39.000 -0.081 0.000 0.986 215 F HN 0.318 nan 8.300 nan 0.000 0.470 216 D N 0.198 120.709 120.400 0.185 0.000 2.191 216 D HA -0.274 4.366 4.640 -0.000 0.000 0.195 216 D C 1.912 178.191 176.300 -0.035 0.000 1.003 216 D CA 1.768 55.814 54.000 0.076 0.000 0.867 216 D CB -0.634 40.225 40.800 0.099 0.000 0.926 216 D HN 0.494 nan 8.370 nan 0.000 0.450 217 D N 0.359 120.755 120.400 -0.008 0.000 2.123 217 D HA -0.124 4.516 4.640 -0.000 0.000 0.200 217 D C 2.281 178.540 176.300 -0.068 0.000 0.976 217 D CA 0.234 54.228 54.000 -0.011 0.000 0.831 217 D CB 0.061 40.901 40.800 0.067 0.000 0.974 217 D HN 0.107 nan 8.370 nan 0.000 0.469 218 L N 0.943 122.120 121.223 -0.076 0.000 2.046 218 L HA -0.063 4.277 4.340 -0.000 0.000 0.208 218 L C 2.534 179.241 176.870 -0.271 0.000 1.077 218 L CA 1.571 56.356 54.840 -0.092 0.000 0.747 218 L CB -0.979 41.036 42.059 -0.074 0.000 0.896 218 L HN 0.061 nan 8.230 nan 0.000 0.432 219 M N -1.211 118.128 119.600 -0.435 0.000 2.080 219 M HA -0.245 4.235 4.480 -0.000 0.000 0.260 219 M C 2.181 178.359 176.300 -0.203 0.000 1.068 219 M CA 2.186 57.276 55.300 -0.351 0.000 1.109 219 M CB -0.086 32.311 32.600 -0.339 0.000 1.342 219 M HN 0.363 nan 8.290 nan 0.000 0.405 220 S N 1.038 116.631 115.700 -0.178 0.000 2.399 220 S HA -0.049 4.421 4.470 -0.000 0.000 0.231 220 S C 0.736 175.219 174.600 -0.195 0.000 1.022 220 S CA 1.136 59.247 58.200 -0.147 0.000 0.983 220 S CB -0.258 62.873 63.200 -0.115 0.000 0.803 220 S HN 0.579 nan 8.310 nan 0.000 0.480 221 N N 0.535 119.056 118.700 -0.299 0.000 2.553 221 N HA 0.169 4.909 4.740 -0.000 0.000 0.298 221 N C 0.598 175.809 175.510 -0.498 0.000 1.596 221 N CA -0.124 52.669 53.050 -0.429 0.000 0.910 221 N CB 0.793 38.905 38.487 -0.625 0.000 1.336 221 N HN 0.333 nan 8.380 nan 0.000 0.497 222 K N 1.645 121.890 120.400 -0.258 0.000 1.973 222 K HA -0.052 4.268 4.320 -0.000 0.000 0.212 222 K C 1.923 178.487 176.600 -0.061 0.000 1.047 222 K CA 1.489 57.707 56.287 -0.115 0.000 0.937 222 K CB -0.051 32.420 32.500 -0.048 0.000 0.721 222 K HN 0.086 nan 8.250 nan 0.000 0.440 223 A N 1.499 124.283 122.820 -0.060 0.000 1.929 223 A HA -0.327 3.993 4.320 -0.000 0.000 0.221 223 A C 1.895 179.471 177.584 -0.014 0.000 1.211 223 A CA 2.468 54.492 52.037 -0.023 0.000 0.657 223 A CB -1.301 17.677 19.000 -0.035 0.000 0.827 223 A HN 0.661 nan 8.150 nan 0.000 0.462 224 N N -2.068 116.582 118.700 -0.083 0.000 2.084 224 N HA -0.143 4.597 4.740 -0.000 0.000 0.190 224 N C 1.800 177.331 175.510 0.035 0.000 1.030 224 N CA 1.491 54.502 53.050 -0.066 0.000 0.849 224 N CB -0.285 38.105 38.487 -0.162 0.000 1.012 224 N HN 0.733 nan 8.380 nan 0.000 0.423 225 Y N 0.174 120.415 120.300 -0.099 0.000 2.200 225 Y HA -0.280 4.269 4.550 -0.000 0.000 0.290 225 Y C 2.997 178.944 175.900 0.078 0.000 1.137 225 Y CA 0.156 58.178 58.100 -0.130 0.000 1.163 225 Y CB -0.349 38.062 38.460 -0.082 0.000 0.988 225 Y HN 0.279 nan 8.280 nan 0.000 0.518 226 C N 0.475 119.923 119.300 0.246 0.000 2.393 226 C HA -0.251 4.209 4.460 -0.000 0.000 0.276 226 C C 2.984 178.128 174.990 0.257 0.000 1.215 226 C CA 1.616 60.766 59.018 0.220 0.000 1.743 226 C CB -1.297 26.520 27.740 0.129 0.000 2.044 226 C HN 0.573 nan 8.230 nan 0.000 0.464 227 A N -0.946 121.980 122.820 0.176 0.000 1.930 227 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 227 A C 2.194 179.886 177.584 0.181 0.000 1.175 227 A CA 1.833 53.961 52.037 0.153 0.000 0.627 227 A CB -0.866 18.187 19.000 0.087 0.000 0.815 227 A HN 0.839 nan 8.150 nan 0.000 0.443 228 Q N -1.589 118.327 119.800 0.193 0.000 2.050 228 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 228 Q C 1.862 178.106 176.000 0.406 0.000 0.980 228 Q CA 1.756 57.692 55.803 0.220 0.000 0.840 228 Q CB -0.261 28.486 28.738 0.016 0.000 0.898 228 Q HN 0.715 nan 8.270 nan 0.000 0.424 229 F N 1.736 121.919 119.950 0.388 0.000 2.043 229 F HA -0.309 4.218 4.527 -0.000 0.000 0.297 229 F C 1.839 177.714 175.800 0.125 0.000 1.121 229 F CA 1.847 60.023 58.000 0.293 0.000 1.199 229 F CB -0.436 38.719 39.000 0.257 0.000 0.968 229 F HN 0.137 nan 8.300 nan 0.000 0.478 230 N N 0.960 119.831 118.700 0.286 0.000 2.192 230 N HA -0.204 4.536 4.740 -0.000 0.000 0.188 230 N C 2.008 177.491 175.510 -0.045 0.000 1.013 230 N CA 1.713 54.825 53.050 0.104 0.000 0.863 230 N CB -0.526 38.078 38.487 0.196 0.000 0.990 230 N HN 0.408 nan 8.380 nan 0.000 0.430 231 L N 0.116 121.340 121.223 0.001 0.000 2.005 231 L HA -0.085 4.255 4.340 -0.000 0.000 0.207 231 L C 2.341 179.145 176.870 -0.110 0.000 1.072 231 L CA 0.822 55.648 54.840 -0.024 0.000 0.744 231 L CB -0.370 41.705 42.059 0.027 0.000 0.895 231 L HN 0.111 nan 8.230 nan 0.000 0.433 232 M N -0.058 119.452 119.600 -0.151 0.000 2.082 232 M HA -0.221 4.259 4.480 -0.000 0.000 0.258 232 M C 2.615 178.677 176.300 -0.397 0.000 1.069 232 M CA 2.102 57.237 55.300 -0.274 0.000 1.102 232 M CB -1.452 30.945 32.600 -0.337 0.000 1.336 232 M HN 0.316 nan 8.290 nan 0.000 0.404 233 A N 0.167 122.670 122.820 -0.529 0.000 1.884 233 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 233 A C 2.088 179.514 177.584 -0.264 0.000 1.197 233 A CA 2.117 53.859 52.037 -0.492 0.000 0.637 233 A CB -0.954 17.729 19.000 -0.528 0.000 0.827 233 A HN 0.674 nan 8.150 nan 0.000 0.450 234 Q N -0.911 118.783 119.800 -0.176 0.000 2.170 234 Q HA -0.215 4.125 4.340 -0.000 0.000 0.203 234 Q C 2.194 178.145 176.000 -0.082 0.000 0.976 234 Q CA 1.727 57.477 55.803 -0.089 0.000 0.858 234 Q CB -0.204 28.505 28.738 -0.049 0.000 0.907 234 Q HN 0.788 nan 8.270 nan 0.000 0.433 235 K N 0.705 121.024 120.400 -0.136 0.000 2.001 235 K HA -0.142 4.178 4.320 -0.000 0.000 0.208 235 K C 2.079 178.567 176.600 -0.187 0.000 1.048 235 K CA 0.797 57.012 56.287 -0.120 0.000 0.932 235 K CB -0.045 32.345 32.500 -0.183 0.000 0.715 235 K HN 0.058 nan 8.250 nan 0.000 0.437 236 I N 2.722 123.050 120.570 -0.402 0.000 2.194 236 I HA -0.277 3.893 4.170 -0.000 0.000 0.246 236 I C 1.150 177.188 176.117 -0.132 0.000 1.093 236 I CA 1.475 62.451 61.300 -0.541 0.000 1.355 236 I CB -1.008 36.514 38.000 -0.797 0.000 1.046 236 I HN 0.311 nan 8.210 nan 0.000 0.413 237 N N 0.604 119.279 118.700 -0.042 0.000 2.626 237 N HA -0.085 4.655 4.740 -0.000 0.000 0.193 237 N C 1.171 176.758 175.510 0.128 0.000 1.213 237 N CA 1.068 54.167 53.050 0.083 0.000 0.914 237 N CB -0.237 38.274 38.487 0.039 0.000 0.994 237 N HN 0.519 nan 8.380 nan 0.000 0.447 238 T N -3.303 111.371 114.554 0.199 0.000 3.252 238 T HA 0.302 4.652 4.350 -0.000 0.000 0.286 238 T C -0.293 174.611 174.700 0.340 0.000 1.013 238 T CA -0.498 61.738 62.100 0.226 0.000 0.914 238 T CB -0.510 68.466 68.868 0.180 0.000 1.131 238 T HN -0.203 nan 8.240 nan 0.000 0.529 239 F N 1.828 121.751 119.950 -0.045 0.000 2.467 239 F HA 0.696 5.223 4.527 -0.000 0.000 0.336 239 F C 0.979 176.507 175.800 -0.454 0.000 1.123 239 F CA -2.123 55.744 58.000 -0.221 0.000 0.964 239 F CB 1.557 40.535 39.000 -0.037 0.000 1.136 239 F HN 0.227 nan 8.300 nan 0.000 0.447 240 A N 5.125 127.357 122.820 -0.979 0.000 2.465 240 A HA -0.025 4.295 4.320 -0.000 0.000 0.228 240 A C 0.256 177.654 177.584 -0.309 0.000 1.790 240 A CA 0.396 52.058 52.037 -0.625 0.000 1.763 240 A CB -1.368 17.140 19.000 -0.821 0.000 0.712 240 A HN 0.659 nan 8.150 nan 0.000 0.657 241 L N 1.960 123.112 121.223 -0.118 0.000 2.255 241 L HA 0.321 4.661 4.340 -0.000 0.000 0.289 241 L C -2.157 174.687 176.870 -0.044 0.000 1.046 241 L CA -2.562 52.245 54.840 -0.056 0.000 0.816 241 L CB 1.694 43.769 42.059 0.028 0.000 1.197 241 L HN 0.142 nan 8.230 nan 0.000 0.427 242 P HA -0.036 nan 4.420 nan 0.000 0.262 242 P C -0.120 177.235 177.300 0.093 0.000 1.199 242 P CA -0.083 62.916 63.100 -0.168 0.000 0.763 242 P CB 0.387 31.854 31.700 -0.387 0.000 0.790 243 K N 3.505 123.990 120.400 0.141 0.000 2.585 243 K HA -0.177 4.143 4.320 -0.000 0.000 0.194 243 K C 1.186 177.899 176.600 0.188 0.000 1.037 243 K CA 1.100 57.521 56.287 0.223 0.000 0.964 243 K CB -0.809 31.786 32.500 0.158 0.000 0.787 243 K HN 0.487 nan 8.250 nan 0.000 0.488 244 Y N -1.093 119.250 120.300 0.072 0.000 2.466 244 Y HA 0.307 4.857 4.550 -0.000 0.000 0.272 244 Y C -0.270 175.597 175.900 -0.055 0.000 1.169 244 Y CA -1.156 56.948 58.100 0.006 0.000 1.285 244 Y CB -0.029 38.419 38.460 -0.021 0.000 1.078 244 Y HN -0.148 nan 8.280 nan 0.000 0.523 245 F N 3.275 122.632 119.950 -0.989 0.000 2.516 245 F HA 0.170 4.697 4.527 -0.000 0.000 0.351 245 F C 1.451 176.942 175.800 -0.516 0.000 1.208 245 F CA 0.121 57.597 58.000 -0.874 0.000 1.073 245 F CB 0.556 39.174 39.000 -0.637 0.000 1.203 245 F HN 0.066 nan 8.300 nan 0.000 0.602 246 K N 1.036 121.263 120.400 -0.288 0.000 2.189 246 K HA -0.271 4.049 4.320 -0.000 0.000 0.207 246 K C 2.321 178.778 176.600 -0.239 0.000 1.046 246 K CA 1.785 57.951 56.287 -0.202 0.000 0.928 246 K CB -0.206 32.197 32.500 -0.161 0.000 0.720 246 K HN 0.675 nan 8.250 nan 0.000 0.458 247 S N 1.199 116.681 115.700 -0.363 0.000 2.387 247 S HA -0.191 4.279 4.470 -0.000 0.000 0.230 247 S C 1.970 176.388 174.600 -0.303 0.000 1.035 247 S CA 1.195 59.127 58.200 -0.448 0.000 1.014 247 S CB -0.627 61.995 63.200 -0.963 0.000 0.836 247 S HN 0.242 nan 8.310 nan 0.000 0.466 248 I N 1.794 122.185 120.570 -0.298 0.000 2.099 248 I HA -0.202 3.968 4.170 -0.000 0.000 0.239 248 I C 2.570 178.538 176.117 -0.249 0.000 1.066 248 I CA 1.565 62.671 61.300 -0.324 0.000 1.324 248 I CB -0.671 37.028 38.000 -0.503 0.000 1.037 248 I HN 0.294 nan 8.210 nan 0.000 0.401 249 L N 0.283 121.397 121.223 -0.182 0.000 2.103 249 L HA -0.298 4.042 4.340 -0.000 0.000 0.215 249 L C 2.749 179.548 176.870 -0.119 0.000 1.080 249 L CA 1.553 56.324 54.840 -0.116 0.000 0.764 249 L CB -0.796 41.208 42.059 -0.092 0.000 0.890 249 L HN 0.332 nan 8.230 nan 0.000 0.435 250 R N 1.522 121.939 120.500 -0.138 0.000 2.107 250 R HA -0.218 4.122 4.340 -0.000 0.000 0.223 250 R C 2.400 178.620 176.300 -0.133 0.000 1.138 250 R CA 2.305 58.335 56.100 -0.117 0.000 0.900 250 R CB -0.876 29.334 30.300 -0.149 0.000 0.814 250 R HN 0.318 nan 8.270 nan 0.000 0.437 251 M N 0.195 119.700 119.600 -0.159 0.000 2.146 251 M HA -0.141 4.339 4.480 -0.000 0.000 0.256 251 M C 2.052 178.249 176.300 -0.171 0.000 1.075 251 M CA 2.619 57.837 55.300 -0.137 0.000 1.082 251 M CB -1.011 31.555 32.600 -0.057 0.000 1.355 251 M HN 0.217 nan 8.290 nan 0.000 0.402 252 A N -0.526 122.131 122.820 -0.272 0.000 1.845 252 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 252 A C 2.243 179.595 177.584 -0.386 0.000 1.195 252 A CA 1.842 53.494 52.037 -0.641 0.000 0.616 252 A CB -1.578 17.046 19.000 -0.626 0.000 0.832 252 A HN 0.762 nan 8.150 nan 0.000 0.443 253 Y N 0.963 121.086 120.300 -0.294 0.000 2.207 253 Y HA -0.186 4.364 4.550 -0.000 0.000 0.287 253 Y C 2.319 178.179 175.900 -0.067 0.000 1.156 253 Y CA 1.690 59.697 58.100 -0.154 0.000 1.182 253 Y CB -0.410 37.990 38.460 -0.100 0.000 0.979 253 Y HN 0.066 nan 8.280 nan 0.000 0.521 254 V N -0.346 119.455 119.914 -0.190 0.000 2.427 254 V HA -0.215 3.905 4.120 -0.000 0.000 0.248 254 V C 1.902 177.916 176.094 -0.134 0.000 1.051 254 V CA 2.003 64.100 62.300 -0.339 0.000 1.048 254 V CB -0.957 30.494 31.823 -0.621 0.000 0.666 254 V HN 0.568 nan 8.190 nan 0.000 0.456 255 S N -1.931 113.719 115.700 -0.083 0.000 2.574 255 S HA 0.234 4.704 4.470 -0.000 0.000 0.242 255 S C 1.239 175.858 174.600 0.031 0.000 0.982 255 S CA 0.182 58.413 58.200 0.051 0.000 0.977 255 S CB 0.796 64.099 63.200 0.172 0.000 0.814 255 S HN 0.334 nan 8.310 nan 0.000 0.464 256 S N 1.338 117.005 115.700 -0.056 0.000 2.539 256 S HA 0.317 4.787 4.470 -0.000 0.000 0.226 256 S C 0.199 174.799 174.600 -0.000 0.000 1.054 256 S CA -0.233 57.964 58.200 -0.004 0.000 0.910 256 S CB 0.143 63.307 63.200 -0.059 0.000 0.818 256 S HN 0.624 nan 8.310 nan 0.000 0.490 257 N N 0.014 118.607 118.700 -0.179 0.000 2.906 257 N HA 0.643 5.383 4.740 -0.000 0.000 0.327 257 N C -1.138 174.052 175.510 -0.533 0.000 1.344 257 N CA -0.646 52.205 53.050 -0.332 0.000 0.823 257 N CB 1.040 39.137 38.487 -0.649 0.000 1.351 257 N HN -0.027 nan 8.380 nan 0.000 0.604 258 I N 0.619 120.784 120.570 -0.674 0.000 2.534 258 I HA 0.362 4.532 4.170 -0.000 0.000 0.288 258 I C -1.407 174.438 176.117 -0.454 0.000 1.077 258 I CA -0.547 60.469 61.300 -0.473 0.000 1.051 258 I CB 1.330 38.990 38.000 -0.566 0.000 1.234 258 I HN 0.273 nan 8.210 nan 0.000 0.425 259 F N 5.342 125.257 119.950 -0.059 0.000 2.421 259 F HA 0.576 5.103 4.527 -0.000 0.000 0.337 259 F C 0.403 176.239 175.800 0.060 0.000 1.105 259 F CA -0.739 57.258 58.000 -0.005 0.000 1.049 259 F CB 1.119 40.095 39.000 -0.040 0.000 1.139 259 F HN 0.162 nan 8.300 nan 0.000 0.479 260 M N 2.686 122.437 119.600 0.251 0.000 2.359 260 M HA 0.228 4.708 4.480 -0.000 0.000 0.322 260 M C 0.634 177.124 176.300 0.316 0.000 1.166 260 M CA -0.503 54.938 55.300 0.234 0.000 1.067 260 M CB 0.988 33.720 32.600 0.220 0.000 1.523 260 M HN 0.647 nan 8.290 nan 0.000 0.467 261 D N -0.201 120.349 120.400 0.250 0.000 2.349 261 D HA 0.057 4.697 4.640 -0.000 0.000 0.214 261 D C -0.393 176.135 176.300 0.380 0.000 1.063 261 D CA 0.109 54.279 54.000 0.284 0.000 0.847 261 D CB 0.272 41.236 40.800 0.273 0.000 0.933 261 D HN 0.556 nan 8.370 nan 0.000 0.513 262 S N -0.249 115.633 115.700 0.304 0.000 2.587 262 S HA 0.164 4.634 4.470 -0.000 0.000 0.269 262 S C 0.119 174.342 174.600 -0.629 0.000 1.154 262 S CA -0.651 57.502 58.200 -0.078 0.000 0.824 262 S CB 1.413 64.604 63.200 -0.015 0.000 1.118 262 S HN 0.001 nan 8.310 nan 0.000 0.462 263 D N 0.295 120.086 120.400 -1.016 0.000 2.378 263 D HA 0.110 4.750 4.640 -0.000 0.000 0.227 263 D C 0.664 176.770 176.300 -0.323 0.000 1.012 263 D CA 0.339 53.868 54.000 -0.784 0.000 0.905 263 D CB -0.260 40.162 40.800 -0.631 0.000 0.895 263 D HN 0.743 nan 8.370 nan 0.000 0.532 264 A N 0.492 123.176 122.820 -0.227 0.000 2.301 264 A HA 0.406 4.726 4.320 -0.000 0.000 0.312 264 A C 1.233 178.793 177.584 -0.039 0.000 1.182 264 A CA -0.722 51.245 52.037 -0.117 0.000 0.826 264 A CB 1.737 20.675 19.000 -0.103 0.000 1.134 264 A HN -0.015 nan 8.150 nan 0.000 0.501 265 V N 2.357 122.274 119.914 0.006 0.000 2.626 265 V HA -0.151 3.969 4.120 -0.000 0.000 0.252 265 V C 2.345 178.496 176.094 0.096 0.000 1.067 265 V CA 2.529 64.885 62.300 0.093 0.000 1.081 265 V CB -1.065 30.854 31.823 0.160 0.000 0.686 265 V HN 0.941 nan 8.190 nan 0.000 0.468 266 T N 0.202 114.788 114.554 0.054 0.000 2.915 266 T HA 0.045 4.395 4.350 -0.000 0.000 0.269 266 T C 1.244 175.980 174.700 0.061 0.000 1.071 266 T CA 0.873 63.019 62.100 0.076 0.000 1.132 266 T CB -0.357 68.533 68.868 0.036 0.000 0.878 266 T HN 0.623 nan 8.240 nan 0.000 0.479 267 G N 2.112 110.930 108.800 0.030 0.000 2.716 267 G HA2 0.315 4.275 3.960 -0.000 0.000 0.251 267 G HA3 0.315 4.275 3.960 -0.000 0.000 0.251 267 G C 0.165 175.058 174.900 -0.011 0.000 1.224 267 G CA -0.661 44.448 45.100 0.015 0.000 0.891 267 G HN 0.284 nan 8.290 nan 0.000 0.561 268 Q N -0.799 118.966 119.800 -0.058 0.000 2.318 268 Q HA 0.537 4.877 4.340 -0.000 0.000 0.222 268 Q C 0.113 176.004 176.000 -0.181 0.000 1.003 268 Q CA -0.296 55.415 55.803 -0.154 0.000 0.936 268 Q CB 1.140 29.749 28.738 -0.215 0.000 1.204 268 Q HN 0.691 nan 8.270 nan 0.000 0.524 269 M N -0.614 118.831 119.600 -0.258 0.000 2.421 269 M HA 0.554 5.034 4.480 -0.000 0.000 0.287 269 M C -1.658 174.479 176.300 -0.272 0.000 1.183 269 M CA -1.078 54.102 55.300 -0.200 0.000 0.916 269 M CB 1.599 34.168 32.600 -0.052 0.000 1.701 269 M HN 0.408 nan 8.290 nan 0.000 0.470 270 Y N 0.820 121.088 120.300 -0.053 0.000 2.403 270 Y HA 0.890 5.440 4.550 -0.000 0.000 0.323 270 Y C 0.215 176.048 175.900 -0.111 0.000 1.226 270 Y CA -0.607 57.413 58.100 -0.135 0.000 1.235 270 Y CB 1.743 40.054 38.460 -0.249 0.000 1.248 270 Y HN 0.929 nan 8.280 nan 0.000 0.489 271 A N 1.473 124.265 122.820 -0.046 0.000 2.549 271 A HA 0.759 5.079 4.320 -0.000 0.000 0.297 271 A C -1.935 175.542 177.584 -0.179 0.000 1.061 271 A CA -0.733 51.274 52.037 -0.051 0.000 0.690 271 A CB 0.682 19.636 19.000 -0.077 0.000 1.287 271 A HN 0.549 nan 8.150 nan 0.000 0.402 272 F N 1.010 120.985 119.950 0.041 0.000 2.420 272 F HA 0.597 5.124 4.527 -0.000 0.000 0.342 272 F C 0.083 176.009 175.800 0.210 0.000 1.113 272 F CA -0.302 57.737 58.000 0.064 0.000 1.059 272 F CB 2.236 41.157 39.000 -0.132 0.000 1.128 272 F HN 0.291 nan 8.300 nan 0.000 0.475 273 V N 1.957 122.185 119.914 0.523 0.000 2.569 273 V HA 0.308 4.428 4.120 -0.000 0.000 0.301 273 V C -0.437 175.797 176.094 0.233 0.000 1.044 273 V CA -1.340 61.183 62.300 0.371 0.000 0.874 273 V CB 1.520 33.430 31.823 0.145 0.000 1.002 273 V HN 0.804 nan 8.190 nan 0.000 0.424 274 S N 2.505 118.254 115.700 0.082 0.000 2.558 274 S HA 0.080 4.550 4.470 -0.000 0.000 0.288 274 S C 1.176 175.829 174.600 0.088 0.000 1.318 274 S CA 0.243 58.230 58.200 -0.355 0.000 1.056 274 S CB 1.001 64.224 63.200 0.039 0.000 0.853 274 S HN 1.323 nan 8.310 nan 0.000 0.505 275 S N 1.665 117.326 115.700 -0.065 0.000 2.575 275 S HA 0.502 4.972 4.470 -0.000 0.000 0.215 275 S C 0.883 175.598 174.600 0.193 0.000 0.966 275 S CA -0.007 58.279 58.200 0.142 0.000 0.911 275 S CB -0.506 62.719 63.200 0.042 0.000 0.780 275 S HN 1.491 nan 8.310 nan 0.000 0.514 276 G N 0.161 108.903 108.800 -0.096 0.000 2.348 276 G HA2 0.483 4.443 3.960 -0.000 0.000 0.296 276 G HA3 0.483 4.443 3.960 -0.000 0.000 0.296 276 G C -1.773 172.616 174.900 -0.851 0.000 1.258 276 G CA -0.332 44.311 45.100 -0.761 0.000 0.868 276 G HN 0.549 nan 8.290 nan 0.000 0.488 277 Y N -1.943 117.940 120.300 -0.696 0.000 2.689 277 Y HA 0.853 5.403 4.550 -0.000 0.000 0.333 277 Y C -1.815 173.864 175.900 -0.368 0.000 1.190 277 Y CA -2.832 54.979 58.100 -0.481 0.000 1.063 277 Y CB 0.917 39.023 38.460 -0.589 0.000 1.294 277 Y HN 0.606 nan 8.280 nan 0.000 0.466 278 Y N 0.783 121.309 120.300 0.377 0.000 2.350 278 Y HA 0.622 5.172 4.550 -0.000 0.000 0.338 278 Y C 0.177 176.215 175.900 0.231 0.000 0.961 278 Y CA -0.887 57.410 58.100 0.329 0.000 1.100 278 Y CB 2.083 40.732 38.460 0.315 0.000 1.179 278 Y HN 0.581 nan 8.280 nan 0.000 0.454 279 R N 1.777 122.483 120.500 0.344 0.000 2.643 279 R HA 0.388 4.728 4.340 -0.000 0.000 0.272 279 R C -1.569 174.884 176.300 0.255 0.000 0.995 279 R CA -0.809 55.424 56.100 0.222 0.000 1.032 279 R CB 1.078 31.465 30.300 0.145 0.000 1.126 279 R HN 0.761 nan 8.270 nan 0.000 0.505 280 Y N 0.738 121.099 120.300 0.101 0.000 2.334 280 Y HA 0.377 4.927 4.550 -0.000 0.000 0.328 280 Y C -0.879 175.057 175.900 0.061 0.000 1.130 280 Y CA 0.196 58.347 58.100 0.084 0.000 1.163 280 Y CB 1.609 40.119 38.460 0.083 0.000 1.207 280 Y HN 0.471 nan 8.280 nan 0.000 0.471 281 S N 3.602 119.069 115.700 -0.387 0.000 2.626 281 S HA 0.591 5.061 4.470 -0.000 0.000 0.275 281 S C -0.566 173.840 174.600 -0.323 0.000 1.175 281 S CA -0.095 57.965 58.200 -0.233 0.000 0.982 281 S CB 0.575 63.728 63.200 -0.078 0.000 1.093 281 S HN 0.925 nan 8.310 nan 0.000 0.472 282 A N 2.894 125.573 122.820 -0.236 0.000 2.415 282 A HA 0.340 4.660 4.320 -0.000 0.000 0.248 282 A C 1.325 178.858 177.584 -0.084 0.000 1.299 282 A CA 0.691 52.628 52.037 -0.167 0.000 0.899 282 A CB -0.500 18.443 19.000 -0.096 0.000 0.997 282 A HN 0.848 nan 8.150 nan 0.000 0.506 283 T N -5.467 109.043 114.554 -0.073 0.000 3.019 283 T HA -0.003 4.347 4.350 -0.000 0.000 0.247 283 T C 1.697 176.376 174.700 -0.036 0.000 0.992 283 T CA 1.078 63.153 62.100 -0.042 0.000 1.036 283 T CB -0.440 68.411 68.868 -0.028 0.000 1.063 283 T HN 0.090 nan 8.240 nan 0.000 0.476 284 T N 3.171 117.701 114.554 -0.040 0.000 2.778 284 T HA -0.015 4.335 4.350 -0.000 0.000 0.269 284 T C 1.009 175.696 174.700 -0.021 0.000 1.050 284 T CA 1.561 63.646 62.100 -0.025 0.000 1.137 284 T CB -0.349 68.508 68.868 -0.019 0.000 0.860 284 T HN 0.717 nan 8.240 nan 0.000 0.468 285 S N -0.360 115.323 115.700 -0.029 0.000 2.547 285 S HA 0.440 4.910 4.470 -0.000 0.000 0.281 285 S C 0.370 174.956 174.600 -0.022 0.000 1.118 285 S CA -0.948 57.240 58.200 -0.020 0.000 0.947 285 S CB 2.429 65.620 63.200 -0.016 0.000 1.053 285 S HN 0.186 nan 8.310 nan 0.000 0.482 286 E N 1.904 122.095 120.200 -0.016 0.000 2.070 286 E HA -0.171 4.179 4.350 -0.000 0.000 0.197 286 E C 1.899 178.491 176.600 -0.013 0.000 1.004 286 E CA 1.926 58.318 56.400 -0.013 0.000 0.805 286 E CB -0.242 29.452 29.700 -0.010 0.000 0.744 286 E HN 0.885 nan 8.360 nan 0.000 0.451 287 S N -0.264 115.429 115.700 -0.012 0.000 2.440 287 S HA -0.056 4.414 4.470 -0.000 0.000 0.240 287 S C 1.004 175.597 174.600 -0.012 0.000 1.014 287 S CA 0.628 58.821 58.200 -0.011 0.000 0.980 287 S CB -0.157 63.037 63.200 -0.010 0.000 0.775 287 S HN 0.483 nan 8.310 nan 0.000 0.499 288 G N 0.539 109.326 108.800 -0.021 0.000 2.346 288 G HA2 0.288 4.248 3.960 -0.000 0.000 0.294 288 G HA3 0.288 4.248 3.960 -0.000 0.000 0.294 288 G C -0.465 174.399 174.900 -0.060 0.000 1.294 288 G CA -0.596 44.488 45.100 -0.026 0.000 0.962 288 G HN 0.757 nan 8.290 nan 0.000 0.508 289 T N -1.177 113.330 114.554 -0.078 0.000 2.934 289 T HA 0.507 4.857 4.350 -0.000 0.000 0.321 289 T C 0.615 175.207 174.700 -0.179 0.000 1.080 289 T CA 1.203 63.185 62.100 -0.196 0.000 1.132 289 T CB 0.768 69.532 68.868 -0.173 0.000 1.039 289 T HN 2.395 nan 8.240 nan 0.000 0.543 290 S N 1.176 116.718 115.700 -0.263 0.000 2.595 290 S HA 0.555 5.025 4.470 -0.000 0.000 0.270 290 S C -1.724 172.809 174.600 -0.112 0.000 1.145 290 S CA -1.289 56.829 58.200 -0.138 0.000 0.825 290 S CB 0.826 63.988 63.200 -0.063 0.000 1.107 290 S HN 0.586 nan 8.310 nan 0.000 0.461 291 L N 2.129 123.353 121.223 0.001 0.000 2.287 291 L HA 0.652 4.992 4.340 -0.000 0.000 0.287 291 L C -0.092 176.933 176.870 0.258 0.000 1.022 291 L CA -0.581 54.335 54.840 0.127 0.000 0.814 291 L CB 1.434 43.559 42.059 0.110 0.000 1.217 291 L HN 0.776 nan 8.230 nan 0.000 0.420 292 V N 0.864 120.933 119.914 0.259 0.000 2.539 292 V HA 0.503 4.623 4.120 -0.000 0.000 0.292 292 V C -0.815 175.466 176.094 0.312 0.000 1.045 292 V CA -0.881 61.571 62.300 0.253 0.000 0.945 292 V CB 1.263 33.162 31.823 0.126 0.000 0.993 292 V HN 0.614 nan 8.190 nan 0.000 0.464 293 Y N 4.390 124.756 120.300 0.111 0.000 2.331 293 Y HA 0.783 5.333 4.550 -0.000 0.000 0.338 293 Y C -0.146 175.624 175.900 -0.216 0.000 0.976 293 Y CA -1.062 56.934 58.100 -0.174 0.000 1.137 293 Y CB 1.376 39.700 38.460 -0.227 0.000 1.172 293 Y HN 0.899 nan 8.280 nan 0.000 0.478 294 R N 4.598 124.432 120.500 -1.109 0.000 2.445 294 R HA 0.301 4.641 4.340 -0.000 0.000 0.308 294 R C -1.105 174.239 176.300 -1.593 0.000 0.961 294 R CA -0.488 55.004 56.100 -1.013 0.000 0.862 294 R CB 0.632 30.627 30.300 -0.509 0.000 1.144 294 R HN 0.737 nan 8.270 nan 0.000 0.447 295 D N 2.661 122.431 120.400 -1.050 0.000 2.455 295 D HA -0.068 4.572 4.640 -0.000 0.000 0.241 295 D C -0.457 175.586 176.300 -0.428 0.000 1.138 295 D CA 0.469 54.071 54.000 -0.664 0.000 0.877 295 D CB 0.537 41.197 40.800 -0.233 0.000 1.187 295 D HN 0.450 nan 8.370 nan 0.000 0.451 296 W N 3.729 124.820 121.300 -0.348 0.000 2.368 296 W HA 0.135 4.795 4.660 -0.000 0.000 0.316 296 W C -1.417 175.038 176.519 -0.107 0.000 1.375 296 W CA -1.820 55.403 57.345 -0.203 0.000 1.261 296 W CB 0.757 30.160 29.460 -0.095 0.000 1.298 296 W HN 0.168 nan 8.180 nan 0.000 0.539 297 P HA -0.086 nan 4.420 nan 0.000 0.263 297 P C 0.068 177.433 177.300 0.108 0.000 1.276 297 P CA 0.721 63.897 63.100 0.126 0.000 0.986 297 P CB 1.317 33.079 31.700 0.103 0.000 1.105 298 V N 3.649 123.626 119.914 0.104 0.000 3.159 298 V HA 0.270 4.390 4.120 -0.000 0.000 0.234 298 V C 1.330 177.451 176.094 0.045 0.000 1.313 298 V CA 1.032 63.369 62.300 0.061 0.000 1.271 298 V CB -0.353 31.517 31.823 0.079 0.000 1.053 298 V HN 0.509 nan 8.190 nan 0.000 0.476 299 G N 1.713 110.544 108.800 0.052 0.000 2.384 299 G HA2 0.240 4.200 3.960 -0.000 0.000 0.289 299 G HA3 0.240 4.200 3.960 -0.000 0.000 0.289 299 G C 0.809 175.720 174.900 0.018 0.000 0.823 299 G CA 0.519 45.637 45.100 0.030 0.000 1.740 299 G HN 1.718 nan 8.290 nan 0.000 0.422 300 A N 0.560 123.377 122.820 -0.004 0.000 2.253 300 A HA 0.003 4.323 4.320 -0.000 0.000 0.278 300 A C 1.658 179.290 177.584 0.079 0.000 1.381 300 A CA 1.620 53.669 52.037 0.021 0.000 0.771 300 A CB -1.332 17.593 19.000 -0.124 0.000 1.092 300 A HN 2.090 nan 8.150 nan 0.000 0.360 301 A N 1.076 123.937 122.820 0.069 0.000 3.152 301 A HA 0.787 5.107 4.320 -0.000 0.000 0.206 301 A C 0.800 178.429 177.584 0.075 0.000 2.224 301 A CA 0.543 52.625 52.037 0.075 0.000 1.378 301 A CB 0.199 19.236 19.000 0.062 0.000 1.222 301 A HN 0.797 nan 8.150 nan 0.000 0.419 302 M N 1.869 121.503 119.600 0.057 0.000 2.125 302 M HA 0.323 4.803 4.480 -0.000 0.000 0.321 302 M C -2.592 173.728 176.300 0.033 0.000 0.983 302 M CA -2.433 52.897 55.300 0.051 0.000 0.934 302 M CB 1.038 33.667 32.600 0.049 0.000 1.542 302 M HN 0.236 nan 8.290 nan 0.000 0.424 303 P HA 0.033 nan 4.420 nan 0.000 0.257 303 P C -0.404 176.906 177.300 0.016 0.000 1.269 303 P CA -0.044 63.066 63.100 0.018 0.000 1.122 303 P CB -0.570 31.150 31.700 0.034 0.000 1.285 304 R N 3.229 123.716 120.500 -0.022 0.000 2.678 304 R HA 0.047 4.387 4.340 -0.000 0.000 0.264 304 R C 0.175 176.475 176.300 -0.000 0.000 0.995 304 R CA 0.001 56.082 56.100 -0.032 0.000 1.098 304 R CB 0.098 30.323 30.300 -0.125 0.000 0.949 304 R HN 0.403 nan 8.270 nan 0.000 0.422 305 K N 2.554 122.972 120.400 0.029 0.000 2.118 305 K HA 0.197 4.517 4.320 -0.000 0.000 0.254 305 K C 0.824 177.451 176.600 0.046 0.000 0.961 305 K CA -0.932 55.401 56.287 0.075 0.000 0.876 305 K CB 1.224 33.790 32.500 0.110 0.000 1.077 305 K HN 0.509 nan 8.250 nan 0.000 0.440 306 L N 1.079 122.326 121.223 0.039 0.000 2.127 306 L HA -0.241 4.099 4.340 -0.000 0.000 0.211 306 L C 2.156 178.946 176.870 -0.133 0.000 1.089 306 L CA 1.244 56.008 54.840 -0.128 0.000 0.757 306 L CB -0.774 40.979 42.059 -0.511 0.000 0.899 306 L HN 0.855 nan 8.230 nan 0.000 0.434 307 N N 1.009 119.698 118.700 -0.019 0.000 2.064 307 N HA -0.307 4.433 4.740 -0.000 0.000 0.200 307 N C 1.899 177.458 175.510 0.082 0.000 1.028 307 N CA 2.155 55.249 53.050 0.074 0.000 0.880 307 N CB -0.128 38.449 38.487 0.151 0.000 1.062 307 N HN 0.114 nan 8.380 nan 0.000 0.454 308 R N 0.228 120.779 120.500 0.085 0.000 2.092 308 R HA 0.094 4.434 4.340 -0.000 0.000 0.231 308 R C 2.246 178.632 176.300 0.142 0.000 1.119 308 R CA 1.085 57.249 56.100 0.107 0.000 0.970 308 R CB -0.726 29.624 30.300 0.084 0.000 0.864 308 R HN 0.425 nan 8.270 nan 0.000 0.440 309 L N -0.445 120.844 121.223 0.110 0.000 2.201 309 L HA -0.083 4.257 4.340 -0.000 0.000 0.212 309 L C 1.539 178.505 176.870 0.161 0.000 1.105 309 L CA 0.895 55.817 54.840 0.136 0.000 0.775 309 L CB -0.175 41.909 42.059 0.042 0.000 0.913 309 L HN 0.212 nan 8.230 nan 0.000 0.440 310 F N -0.355 119.571 119.950 -0.039 0.000 2.147 310 F HA -0.133 4.394 4.527 -0.000 0.000 0.291 310 F C 2.604 178.396 175.800 -0.014 0.000 1.093 310 F CA 1.466 59.443 58.000 -0.039 0.000 1.263 310 F CB -1.030 37.929 39.000 -0.069 0.000 1.036 310 F HN -0.047 nan 8.300 nan 0.000 0.481 311 T N -0.433 114.247 114.554 0.210 0.000 2.751 311 T HA -0.245 4.105 4.350 -0.000 0.000 0.268 311 T C 2.151 176.886 174.700 0.060 0.000 1.045 311 T CA 1.531 63.703 62.100 0.120 0.000 1.142 311 T CB -0.830 68.102 68.868 0.108 0.000 0.851 311 T HN 0.228 nan 8.240 nan 0.000 0.474 312 V N 0.772 120.720 119.914 0.057 0.000 2.649 312 V HA 0.054 4.174 4.120 -0.000 0.000 0.248 312 V C 2.089 178.091 176.094 -0.154 0.000 1.054 312 V CA 0.994 63.253 62.300 -0.068 0.000 1.073 312 V CB -0.291 31.520 31.823 -0.020 0.000 0.699 312 V HN 0.377 nan 8.190 nan 0.000 0.463 313 L N 0.896 122.060 121.223 -0.100 0.000 2.056 313 L HA -0.052 4.288 4.340 -0.000 0.000 0.207 313 L C 2.581 179.372 176.870 -0.131 0.000 1.078 313 L CA 2.013 56.758 54.840 -0.158 0.000 0.749 313 L CB -1.146 40.773 42.059 -0.233 0.000 0.901 313 L HN 0.253 nan 8.230 nan 0.000 0.433 314 R N -0.349 120.110 120.500 -0.069 0.000 2.096 314 R HA -0.212 4.128 4.340 -0.000 0.000 0.240 314 R C 2.244 178.531 176.300 -0.021 0.000 1.139 314 R CA 1.983 58.065 56.100 -0.029 0.000 0.952 314 R CB -0.330 29.985 30.300 0.025 0.000 0.854 314 R HN 0.542 nan 8.270 nan 0.000 0.436 315 E N 0.427 120.606 120.200 -0.036 0.000 2.058 315 E HA -0.218 4.132 4.350 -0.000 0.000 0.194 315 E C 2.119 178.698 176.600 -0.034 0.000 0.997 315 E CA 1.109 57.488 56.400 -0.034 0.000 0.801 315 E CB -0.093 29.562 29.700 -0.075 0.000 0.746 315 E HN 0.257 nan 8.360 nan 0.000 0.450 316 L N 0.485 121.654 121.223 -0.091 0.000 1.989 316 L HA -0.253 4.087 4.340 -0.000 0.000 0.211 316 L C 2.385 179.263 176.870 0.014 0.000 1.071 316 L CA 1.210 56.013 54.840 -0.061 0.000 0.749 316 L CB -0.185 41.799 42.059 -0.124 0.000 0.890 316 L HN 0.182 nan 8.230 nan 0.000 0.431 317 L N -1.401 119.809 121.223 -0.022 0.000 2.095 317 L HA -0.156 4.184 4.340 -0.000 0.000 0.204 317 L C 2.056 179.047 176.870 0.202 0.000 1.080 317 L CA 0.742 55.610 54.840 0.047 0.000 0.759 317 L CB -0.680 41.264 42.059 -0.190 0.000 0.914 317 L HN 0.209 nan 8.230 nan 0.000 0.439 318 D N 0.501 120.989 120.400 0.147 0.000 2.311 318 D HA -0.139 4.501 4.640 -0.000 0.000 0.212 318 D C 2.060 178.460 176.300 0.167 0.000 0.972 318 D CA 1.313 55.439 54.000 0.211 0.000 0.887 318 D CB 0.224 41.106 40.800 0.137 0.000 0.915 318 D HN 0.347 nan 8.370 nan 0.000 0.497 319 A N 0.634 123.535 122.820 0.135 0.000 1.903 319 A HA -0.063 4.257 4.320 -0.000 0.000 0.213 319 A C 2.075 179.760 177.584 0.168 0.000 1.185 319 A CA 0.392 52.512 52.037 0.139 0.000 0.628 319 A CB -0.152 18.933 19.000 0.141 0.000 0.830 319 A HN 0.092 nan 8.150 nan 0.000 0.446 320 I N -1.102 119.547 120.570 0.130 0.000 2.394 320 I HA -0.177 3.993 4.170 -0.000 0.000 0.251 320 I C 2.321 178.366 176.117 -0.119 0.000 1.136 320 I CA 1.333 62.582 61.300 -0.086 0.000 1.425 320 I CB -1.533 36.522 38.000 0.091 0.000 1.079 320 I HN 0.554 nan 8.210 nan 0.000 0.425 321 Y N 2.407 122.636 120.300 -0.117 0.000 2.457 321 Y HA 0.105 4.655 4.550 -0.000 0.000 0.292 321 Y C 2.350 178.155 175.900 -0.160 0.000 1.125 321 Y CA 0.662 58.628 58.100 -0.224 0.000 1.254 321 Y CB -0.731 37.676 38.460 -0.088 0.000 1.012 321 Y HN 0.091 nan 8.280 nan 0.000 0.555 322 G N -0.275 108.430 108.800 -0.159 0.000 2.625 322 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.214 322 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.214 322 G C -0.044 174.773 174.900 -0.137 0.000 1.132 322 G CA 0.524 45.494 45.100 -0.216 0.000 0.782 322 G HN 0.322 nan 8.290 nan 0.000 0.538 323 D N 0.167 120.520 120.400 -0.078 0.000 2.412 323 D HA 0.535 5.175 4.640 -0.000 0.000 0.224 323 D C 1.464 177.699 176.300 -0.109 0.000 1.093 323 D CA -0.010 53.981 54.000 -0.015 0.000 0.850 323 D CB 1.255 42.177 40.800 0.203 0.000 1.046 323 D HN -0.016 nan 8.370 nan 0.000 0.507 324 A N 4.326 127.078 122.820 -0.112 0.000 1.903 324 A HA -0.271 4.049 4.320 -0.000 0.000 0.219 324 A C 1.709 179.215 177.584 -0.129 0.000 1.191 324 A CA 1.765 53.727 52.037 -0.124 0.000 0.638 324 A CB -0.302 18.643 19.000 -0.091 0.000 0.823 324 A HN 0.581 nan 8.150 nan 0.000 0.451 325 D N -0.151 120.193 120.400 -0.095 0.000 2.106 325 D HA -0.116 4.524 4.640 -0.000 0.000 0.191 325 D C 2.286 178.475 176.300 -0.184 0.000 0.997 325 D CA 1.828 55.754 54.000 -0.124 0.000 0.834 325 D CB -0.646 40.126 40.800 -0.047 0.000 0.956 325 D HN 0.455 nan 8.370 nan 0.000 0.448 326 A N 0.894 123.632 122.820 -0.136 0.000 1.917 326 A HA -0.262 4.058 4.320 -0.000 0.000 0.219 326 A C 2.109 179.492 177.584 -0.335 0.000 1.182 326 A CA 1.667 53.581 52.037 -0.206 0.000 0.633 326 A CB -0.491 18.312 19.000 -0.327 0.000 0.819 326 A HN 0.124 nan 8.150 nan 0.000 0.448 327 Q N -0.632 118.924 119.800 -0.408 0.000 2.046 327 Q HA -0.114 4.226 4.340 -0.000 0.000 0.200 327 Q C 2.185 178.069 176.000 -0.192 0.000 0.975 327 Q CA 2.018 57.553 55.803 -0.447 0.000 0.836 327 Q CB -1.403 27.148 28.738 -0.311 0.000 0.896 327 Q HN 0.661 nan 8.270 nan 0.000 0.428 328 T N 1.453 115.903 114.554 -0.174 0.000 2.869 328 T HA -0.133 4.217 4.350 -0.000 0.000 0.270 328 T C 1.845 176.464 174.700 -0.135 0.000 1.082 328 T CA 1.177 63.194 62.100 -0.138 0.000 1.123 328 T CB -0.115 68.652 68.868 -0.169 0.000 0.856 328 T HN 0.222 nan 8.240 nan 0.000 0.499 329 M N -0.458 119.047 119.600 -0.158 0.000 2.160 329 M HA 0.084 4.564 4.480 -0.000 0.000 0.264 329 M C 1.867 178.288 176.300 0.202 0.000 1.073 329 M CA 1.224 56.497 55.300 -0.045 0.000 1.142 329 M CB -0.397 32.190 32.600 -0.021 0.000 1.358 329 M HN 0.128 nan 8.290 nan 0.000 0.422 330 F N 1.213 121.126 119.950 -0.063 0.000 2.085 330 F HA -0.214 4.313 4.527 -0.000 0.000 0.299 330 F C 2.547 178.362 175.800 0.026 0.000 1.096 330 F CA 1.662 59.641 58.000 -0.035 0.000 1.227 330 F CB -1.678 37.248 39.000 -0.124 0.000 0.983 330 F HN 0.182 nan 8.300 nan 0.000 0.482 331 G N -0.436 108.489 108.800 0.208 0.000 2.480 331 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.216 331 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.216 331 G C 1.383 176.377 174.900 0.158 0.000 1.200 331 G CA 1.186 46.368 45.100 0.136 0.000 0.782 331 G HN 0.267 nan 8.290 nan 0.000 0.554 332 D N 0.407 120.891 120.400 0.140 0.000 2.239 332 D HA -0.109 4.531 4.640 -0.000 0.000 0.202 332 D C 2.443 178.845 176.300 0.170 0.000 0.993 332 D CA 0.576 54.663 54.000 0.144 0.000 0.874 332 D CB -0.125 40.789 40.800 0.190 0.000 0.922 332 D HN 0.452 nan 8.370 nan 0.000 0.464 333 I N -0.891 119.808 120.570 0.215 0.000 2.235 333 I HA -0.233 3.937 4.170 -0.000 0.000 0.241 333 I C 2.137 178.438 176.117 0.307 0.000 1.085 333 I CA 0.635 62.101 61.300 0.277 0.000 1.378 333 I CB -0.372 37.736 38.000 0.179 0.000 1.076 333 I HN -0.028 nan 8.210 nan 0.000 0.415 334 Y N 2.226 122.603 120.300 0.127 0.000 2.207 334 Y HA -0.347 4.203 4.550 -0.000 0.000 0.287 334 Y C 2.579 178.540 175.900 0.100 0.000 1.156 334 Y CA 1.949 60.117 58.100 0.114 0.000 1.182 334 Y CB -0.064 38.436 38.460 0.067 0.000 0.979 334 Y HN -0.014 nan 8.280 nan 0.000 0.521 335 K N 0.478 121.031 120.400 0.254 0.000 2.103 335 K HA -0.146 4.174 4.320 -0.000 0.000 0.207 335 K C 1.773 178.375 176.600 0.002 0.000 1.048 335 K CA 1.706 58.069 56.287 0.127 0.000 0.930 335 K CB -0.489 32.059 32.500 0.080 0.000 0.716 335 K HN 0.331 nan 8.250 nan 0.000 0.444 336 A N -1.999 120.809 122.820 -0.020 0.000 2.252 336 A HA 0.270 4.590 4.320 -0.000 0.000 0.213 336 A C 1.358 178.759 177.584 -0.304 0.000 1.188 336 A CA -0.018 51.870 52.037 -0.249 0.000 0.863 336 A CB -0.078 18.663 19.000 -0.431 0.000 0.893 336 A HN 0.279 nan 8.150 nan 0.000 0.495 337 F N -0.739 119.171 119.950 -0.066 0.000 2.619 337 F HA 0.442 4.969 4.527 -0.000 0.000 0.281 337 F C 1.392 177.102 175.800 -0.151 0.000 1.065 337 F CA 0.786 58.770 58.000 -0.027 0.000 1.304 337 F CB 0.434 39.453 39.000 0.032 0.000 1.059 337 F HN 0.365 nan 8.300 nan 0.000 0.648 338 G N 0.189 108.874 108.800 -0.191 0.000 2.690 338 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.686 338 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.686 338 G C 0.587 175.166 174.900 -0.535 0.000 1.277 338 G CA -0.404 44.413 45.100 -0.472 0.000 0.799 338 G HN 0.143 nan 8.290 nan 0.000 0.613 339 S N 0.514 115.873 115.700 -0.568 0.000 2.425 339 S HA -0.292 4.178 4.470 -0.000 0.000 0.256 339 S C 1.737 176.304 174.600 -0.055 0.000 1.101 339 S CA 2.492 60.595 58.200 -0.163 0.000 1.188 339 S CB -0.309 62.906 63.200 0.025 0.000 1.085 339 S HN 1.262 nan 8.310 nan 0.000 0.439 340 D N 0.331 120.707 120.400 -0.041 0.000 2.427 340 D HA 0.199 4.839 4.640 -0.000 0.000 0.224 340 D C 1.051 177.370 176.300 0.032 0.000 1.157 340 D CA 0.360 54.361 54.000 0.002 0.000 0.828 340 D CB -0.237 40.568 40.800 0.007 0.000 0.974 340 D HN 0.452 nan 8.370 nan 0.000 0.498 341 G N 0.406 109.235 108.800 0.048 0.000 3.042 341 G HA2 0.207 4.167 3.960 -0.000 0.000 0.212 341 G HA3 0.207 4.167 3.960 -0.000 0.000 0.212 341 G C 0.669 175.639 174.900 0.118 0.000 1.166 341 G CA -0.174 45.033 45.100 0.178 0.000 0.767 341 G HN 0.204 nan 8.290 nan 0.000 0.546 342 L N -0.130 121.121 121.223 0.047 0.000 2.344 342 L HA 0.429 4.769 4.340 -0.000 0.000 0.272 342 L C -0.069 176.839 176.870 0.063 0.000 1.035 342 L CA -1.425 53.437 54.840 0.036 0.000 0.807 342 L CB 1.356 43.439 42.059 0.040 0.000 1.237 342 L HN 0.071 nan 8.230 nan 0.000 0.442 343 Y N 1.557 121.846 120.300 -0.019 0.000 2.480 343 Y HA 0.189 4.739 4.550 -0.000 0.000 0.338 343 Y C 0.274 176.197 175.900 0.038 0.000 1.220 343 Y CA -0.107 57.975 58.100 -0.031 0.000 1.430 343 Y CB 0.915 39.276 38.460 -0.163 0.000 1.311 343 Y HN 0.592 nan 8.280 nan 0.000 0.575 344 S N 6.607 121.905 115.700 -0.670 0.000 2.614 344 S HA 0.435 4.905 4.470 -0.000 0.000 0.275 344 S C -1.111 173.295 174.600 -0.322 0.000 1.161 344 S CA -0.963 57.077 58.200 -0.265 0.000 0.969 344 S CB 0.980 64.090 63.200 -0.151 0.000 1.059 344 S HN 0.797 nan 8.310 nan 0.000 0.482 345 I N 3.133 123.739 120.570 0.061 0.000 2.385 345 I HA 0.707 4.877 4.170 -0.000 0.000 0.294 345 I C 0.260 176.442 176.117 0.108 0.000 0.988 345 I CA -0.703 60.701 61.300 0.174 0.000 1.265 345 I CB 1.201 39.321 38.000 0.200 0.000 1.388 345 I HN 0.980 nan 8.210 nan 0.000 0.480 346 A N 6.623 129.545 122.820 0.170 0.000 2.327 346 A HA 0.364 4.684 4.320 -0.000 0.000 0.283 346 A C 0.152 177.886 177.584 0.251 0.000 1.127 346 A CA -0.470 51.660 52.037 0.156 0.000 0.810 346 A CB 0.395 19.476 19.000 0.136 0.000 1.066 346 A HN 0.868 nan 8.150 nan 0.000 0.492 347 E N -0.023 120.301 120.200 0.206 0.000 2.718 347 E HA 0.263 4.613 4.350 -0.000 0.000 0.263 347 E C -0.123 176.661 176.600 0.306 0.000 1.434 347 E CA 0.233 56.812 56.400 0.299 0.000 1.106 347 E CB 0.352 30.156 29.700 0.174 0.000 1.029 347 E HN 0.671 nan 8.360 nan 0.000 0.631 348 I N -2.136 118.597 120.570 0.271 0.000 2.447 348 I HA 0.386 4.556 4.170 -0.000 0.000 0.287 348 I C -0.365 175.814 176.117 0.104 0.000 1.023 348 I CA -0.797 60.584 61.300 0.136 0.000 1.083 348 I CB 1.990 40.001 38.000 0.018 0.000 1.245 348 I HN 0.162 nan 8.210 nan 0.000 0.434 349 S N 3.764 119.510 115.700 0.077 0.000 2.606 349 S HA 0.126 4.596 4.470 -0.000 0.000 0.257 349 S C 1.381 176.014 174.600 0.054 0.000 1.327 349 S CA -0.642 57.595 58.200 0.062 0.000 0.984 349 S CB 1.703 64.933 63.200 0.050 0.000 0.941 349 S HN 0.609 nan 8.310 nan 0.000 0.576 350 V N 1.138 121.080 119.914 0.047 0.000 2.515 350 V HA -0.128 3.992 4.120 -0.000 0.000 0.250 350 V C 1.505 177.621 176.094 0.037 0.000 1.058 350 V CA 1.744 64.069 62.300 0.041 0.000 1.064 350 V CB -0.602 31.241 31.823 0.033 0.000 0.675 350 V HN 0.679 nan 8.190 nan 0.000 0.461 351 D N -0.836 119.585 120.400 0.035 0.000 2.262 351 D HA 0.018 4.658 4.640 -0.000 0.000 0.212 351 D C 1.087 177.408 176.300 0.035 0.000 0.964 351 D CA 0.065 54.085 54.000 0.034 0.000 0.875 351 D CB -0.153 40.665 40.800 0.030 0.000 0.996 351 D HN 0.478 nan 8.370 nan 0.000 0.497 352 E N 0.597 120.815 120.200 0.031 0.000 2.892 352 E HA -0.044 4.306 4.350 -0.000 0.000 0.273 352 E C -0.208 176.400 176.600 0.013 0.000 0.921 352 E CA 0.873 57.284 56.400 0.019 0.000 0.968 352 E CB 0.321 30.032 29.700 0.019 0.000 0.941 352 E HN -0.045 nan 8.360 nan 0.000 0.492 353 T N 1.929 116.473 114.554 -0.017 0.000 3.435 353 T HA 0.282 4.632 4.350 -0.000 0.000 0.344 353 T C -1.023 173.581 174.700 -0.160 0.000 1.211 353 T CA -0.410 61.661 62.100 -0.049 0.000 1.104 353 T CB 0.768 69.656 68.868 0.033 0.000 1.196 353 T HN 0.400 nan 8.240 nan 0.000 0.471 354 S N 3.308 118.779 115.700 -0.383 0.000 2.722 354 S HA 0.893 5.363 4.470 -0.000 0.000 0.292 354 S C -0.158 173.934 174.600 -0.847 0.000 1.135 354 S CA -0.690 57.190 58.200 -0.533 0.000 1.003 354 S CB 1.763 64.658 63.200 -0.509 0.000 1.067 354 S HN 0.756 nan 8.310 nan 0.000 0.546 355 T N 2.286 116.473 114.554 -0.611 0.000 2.908 355 T HA 0.607 4.957 4.350 -0.000 0.000 0.290 355 T C -2.855 171.683 174.700 -0.271 0.000 1.034 355 T CA -1.332 60.387 62.100 -0.635 0.000 1.010 355 T CB 1.513 70.134 68.868 -0.412 0.000 1.068 355 T HN 0.417 nan 8.240 nan 0.000 0.481 356 P HA 0.270 nan 4.420 nan 0.000 0.268 356 P C -0.983 176.278 177.300 -0.066 0.000 1.204 356 P CA -0.263 62.831 63.100 -0.011 0.000 0.768 356 P CB 0.442 32.137 31.700 -0.009 0.000 0.842 357 V N 3.383 123.229 119.914 -0.113 0.000 2.850 357 V HA 0.373 4.493 4.120 -0.000 0.000 0.315 357 V C -0.165 175.991 176.094 0.102 0.000 1.064 357 V CA -0.423 61.849 62.300 -0.048 0.000 0.979 357 V CB 1.423 33.158 31.823 -0.148 0.000 1.039 357 V HN 0.351 nan 8.190 nan 0.000 0.452 358 F N 3.070 123.016 119.950 -0.008 0.000 2.366 358 F HA 0.421 4.948 4.527 -0.000 0.000 0.328 358 F C 0.028 175.841 175.800 0.022 0.000 1.180 358 F CA -1.055 56.947 58.000 0.004 0.000 1.232 358 F CB 0.110 39.102 39.000 -0.015 0.000 1.513 358 F HN 0.557 nan 8.300 nan 0.000 0.540 359 D N 3.521 123.836 120.400 -0.142 0.000 2.347 359 D HA 0.135 4.775 4.640 -0.000 0.000 0.235 359 D C 1.115 177.129 176.300 -0.476 0.000 1.149 359 D CA 0.040 53.952 54.000 -0.146 0.000 0.850 359 D CB 1.712 42.654 40.800 0.237 0.000 1.061 359 D HN 0.315 nan 8.370 nan 0.000 0.487 360 V N 4.061 123.601 119.914 -0.622 0.000 2.343 360 V HA -0.211 3.909 4.120 -0.000 0.000 0.247 360 V C 1.882 177.634 176.094 -0.571 0.000 1.051 360 V CA 1.394 63.227 62.300 -0.779 0.000 1.036 360 V CB -0.321 31.190 31.823 -0.521 0.000 0.654 360 V HN 0.566 nan 8.190 nan 0.000 0.451 361 D N 0.384 120.652 120.400 -0.219 0.000 2.116 361 D HA -0.172 4.468 4.640 -0.000 0.000 0.193 361 D C 2.158 178.356 176.300 -0.170 0.000 0.998 361 D CA 1.436 55.431 54.000 -0.009 0.000 0.836 361 D CB -0.173 40.716 40.800 0.149 0.000 0.951 361 D HN 0.298 nan 8.370 nan 0.000 0.449 362 I N 1.121 121.550 120.570 -0.234 0.000 2.179 362 I HA -0.205 3.965 4.170 -0.000 0.000 0.242 362 I C 2.665 178.502 176.117 -0.468 0.000 1.088 362 I CA 0.705 61.790 61.300 -0.359 0.000 1.357 362 I CB -1.164 36.473 38.000 -0.605 0.000 1.051 362 I HN 0.072 nan 8.210 nan 0.000 0.409 363 L N 0.723 121.571 121.223 -0.624 0.000 2.012 363 L HA -0.236 4.104 4.340 -0.000 0.000 0.210 363 L C 2.884 179.493 176.870 -0.435 0.000 1.073 363 L CA 1.680 56.088 54.840 -0.719 0.000 0.748 363 L CB -0.950 40.308 42.059 -1.334 0.000 0.891 363 L HN 0.212 nan 8.230 nan 0.000 0.431 364 A N -0.171 122.348 122.820 -0.501 0.000 1.892 364 A HA -0.303 4.017 4.320 -0.000 0.000 0.218 364 A C 2.200 179.641 177.584 -0.239 0.000 1.188 364 A CA 2.026 53.828 52.037 -0.392 0.000 0.631 364 A CB -0.677 17.592 19.000 -1.218 0.000 0.822 364 A HN 0.534 nan 8.150 nan 0.000 0.447 365 Q N -0.697 118.991 119.800 -0.188 0.000 2.112 365 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 365 Q C 2.100 178.042 176.000 -0.096 0.000 0.987 365 Q CA 1.541 57.304 55.803 -0.067 0.000 0.858 365 Q CB -0.437 28.260 28.738 -0.068 0.000 0.905 365 Q HN 0.668 nan 8.270 nan 0.000 0.420 366 I N 1.000 121.451 120.570 -0.199 0.000 2.058 366 I HA -0.288 3.882 4.170 -0.000 0.000 0.235 366 I C 2.376 178.397 176.117 -0.160 0.000 1.053 366 I CA 1.585 62.733 61.300 -0.253 0.000 1.313 366 I CB -1.386 36.292 38.000 -0.537 0.000 1.039 366 I HN 0.360 nan 8.210 nan 0.000 0.396 367 E N 0.976 121.094 120.200 -0.137 0.000 2.164 367 E HA -0.281 4.069 4.350 -0.000 0.000 0.206 367 E C 1.884 178.449 176.600 -0.058 0.000 1.032 367 E CA 1.883 58.223 56.400 -0.100 0.000 0.832 367 E CB -0.008 29.641 29.700 -0.085 0.000 0.742 367 E HN 0.489 nan 8.360 nan 0.000 0.460 368 N N 0.362 119.045 118.700 -0.029 0.000 2.376 368 N HA -0.050 4.690 4.740 -0.000 0.000 0.177 368 N C 1.363 176.907 175.510 0.056 0.000 1.024 368 N CA 0.695 53.764 53.050 0.032 0.000 0.893 368 N CB -0.431 38.096 38.487 0.067 0.000 0.980 368 N HN 0.342 nan 8.380 nan 0.000 0.439 369 C N 1.383 120.700 119.300 0.027 0.000 2.960 369 C HA 0.087 4.547 4.460 -0.000 0.000 0.362 369 C C 0.673 175.700 174.990 0.062 0.000 1.296 369 C CA -0.354 58.686 59.018 0.037 0.000 1.914 369 C CB -0.621 27.127 27.740 0.014 0.000 2.501 369 C HN 0.222 nan 8.230 nan 0.000 0.736 370 T N 2.459 117.041 114.554 0.045 0.000 2.879 370 T HA 0.532 4.882 4.350 -0.000 0.000 0.290 370 T C -0.321 174.385 174.700 0.009 0.000 0.993 370 T CA -0.207 61.912 62.100 0.032 0.000 0.975 370 T CB 0.861 69.729 68.868 0.001 0.000 0.981 370 T HN 0.566 nan 8.240 nan 0.000 0.439 371 I N 4.343 124.914 120.570 0.001 0.000 2.342 371 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 371 I C 1.296 177.318 176.117 -0.159 0.000 1.010 371 I CA -0.555 60.715 61.300 -0.050 0.000 1.308 371 I CB 0.944 38.931 38.000 -0.022 0.000 1.400 371 I HN 0.570 nan 8.210 nan 0.000 0.488 372 L N 6.376 127.476 121.223 -0.204 0.000 1.961 372 L HA -0.070 4.270 4.340 -0.000 0.000 0.210 372 L C 1.294 177.734 176.870 -0.717 0.000 1.072 372 L CA 1.715 56.371 54.840 -0.307 0.000 0.749 372 L CB -0.331 41.610 42.059 -0.197 0.000 0.889 372 L HN 0.571 nan 8.230 nan 0.000 0.432 373 E N 0.394 120.008 120.200 -0.977 0.000 1.896 373 E HA 0.024 4.374 4.350 -0.000 0.000 0.276 373 E C 1.379 177.403 176.600 -0.960 0.000 1.171 373 E CA 0.272 55.528 56.400 -1.908 0.000 1.118 373 E CB 0.019 28.930 29.700 -1.314 0.000 1.077 373 E HN 0.525 nan 8.360 nan 0.000 0.452 374 A N 3.544 125.965 122.820 -0.666 0.000 2.139 374 A HA -0.173 4.147 4.320 -0.000 0.000 0.221 374 A C 1.009 178.585 177.584 -0.012 0.000 1.159 374 A CA 0.979 52.929 52.037 -0.145 0.000 0.662 374 A CB 0.020 19.038 19.000 0.030 0.000 0.796 374 A HN 0.469 nan 8.150 nan 0.000 0.463 375 N N -2.179 116.579 118.700 0.097 0.000 2.752 375 N HA 0.293 5.032 4.740 -0.000 0.000 0.268 375 N C 0.114 175.735 175.510 0.185 0.000 1.190 375 N CA 0.407 53.526 53.050 0.115 0.000 0.897 375 N CB 1.076 39.653 38.487 0.150 0.000 1.515 375 N HN 0.031 nan 8.380 nan 0.000 0.567 376 A N 2.018 124.847 122.820 0.016 0.000 2.272 376 A HA 0.018 4.338 4.320 -0.000 0.000 0.213 376 A C 1.721 179.271 177.584 -0.057 0.000 1.183 376 A CA 1.633 53.614 52.037 -0.092 0.000 0.719 376 A CB -0.490 18.276 19.000 -0.392 0.000 0.771 376 A HN 0.663 nan 8.150 nan 0.000 0.484 377 G N -1.000 107.824 108.800 0.039 0.000 2.679 377 G HA2 0.289 4.249 3.960 -0.000 0.000 0.212 377 G HA3 0.289 4.249 3.960 -0.000 0.000 0.212 377 G C 0.566 175.500 174.900 0.057 0.000 1.137 377 G CA 0.210 45.330 45.100 0.034 0.000 0.787 377 G HN 0.433 nan 8.290 nan 0.000 0.534 378 L N -1.044 120.258 121.223 0.131 0.000 2.267 378 L HA 0.785 5.125 4.340 -0.000 0.000 0.264 378 L C -0.089 176.814 176.870 0.056 0.000 1.021 378 L CA -1.353 53.501 54.840 0.023 0.000 0.861 378 L CB 1.842 43.809 42.059 -0.155 0.000 1.443 378 L HN -0.049 nan 8.230 nan 0.000 0.475 379 A N -0.157 122.592 122.820 -0.119 0.000 2.304 379 A HA 0.653 4.973 4.320 -0.000 0.000 0.314 379 A C -1.874 175.641 177.584 -0.114 0.000 1.187 379 A CA -0.304 51.736 52.037 0.005 0.000 0.810 379 A CB 0.333 19.330 19.000 -0.005 0.000 1.183 379 A HN 0.533 nan 8.150 nan 0.000 0.487 380 W N 1.223 122.553 121.300 0.050 0.000 2.639 380 W HA 0.696 5.356 4.660 -0.000 0.000 0.347 380 W C 0.263 176.837 176.519 0.091 0.000 1.067 380 W CA -0.150 57.255 57.345 0.100 0.000 1.218 380 W CB 1.848 31.368 29.460 0.101 0.000 1.393 380 W HN 0.625 nan 8.180 nan 0.000 0.557 381 T N 1.828 116.579 114.554 0.328 0.000 2.807 381 T HA 0.802 5.152 4.350 -0.000 0.000 0.277 381 T C -1.724 173.078 174.700 0.169 0.000 1.006 381 T CA -0.772 61.432 62.100 0.174 0.000 1.006 381 T CB 1.441 70.346 68.868 0.062 0.000 1.274 381 T HN 0.188 nan 8.240 nan 0.000 0.569 382 L N 1.748 123.008 121.223 0.062 0.000 3.111 382 L HA 0.370 4.710 4.340 -0.000 0.000 0.259 382 L C -1.886 174.981 176.870 -0.005 0.000 0.946 382 L CA -0.256 54.596 54.840 0.019 0.000 1.119 382 L CB 1.369 43.479 42.059 0.086 0.000 1.698 382 L HN 0.656 nan 8.230 nan 0.000 0.540 383 D N 1.319 121.676 120.400 -0.070 0.000 2.714 383 D HA 0.564 5.204 4.640 -0.000 0.000 0.278 383 D C -0.240 176.011 176.300 -0.082 0.000 1.102 383 D CA -0.184 53.788 54.000 -0.048 0.000 1.108 383 D CB 2.148 42.915 40.800 -0.054 0.000 1.444 383 D HN 0.339 nan 8.370 nan 0.000 0.568 384 S N -0.506 115.166 115.700 -0.047 0.000 3.631 384 S HA -0.172 4.298 4.470 -0.000 0.000 0.366 384 S C 0.894 175.435 174.600 -0.099 0.000 0.993 384 S CA 0.058 58.222 58.200 -0.059 0.000 1.167 384 S CB -1.646 61.495 63.200 -0.097 0.000 0.909 384 S HN 0.493 nan 8.310 nan 0.000 0.478 385 C N 1.328 120.621 119.300 -0.012 0.000 2.791 385 C HA 0.117 4.577 4.460 -0.000 0.000 0.270 385 C C 1.500 176.682 174.990 0.321 0.000 1.257 385 C CA -0.688 58.310 59.018 -0.033 0.000 1.699 385 C CB -1.060 26.703 27.740 0.039 0.000 1.904 385 C HN 0.679 nan 8.230 nan 0.000 0.603 386 N N 1.023 119.893 118.700 0.283 0.000 2.288 386 N HA 0.197 4.937 4.740 -0.000 0.000 0.237 386 N C -0.358 175.369 175.510 0.361 0.000 1.311 386 N CA 0.260 53.525 53.050 0.357 0.000 0.909 386 N CB 0.693 39.299 38.487 0.200 0.000 1.167 386 N HN 0.165 nan 8.380 nan 0.000 0.476 387 V N 0.008 120.079 119.914 0.262 0.000 2.443 387 V HA 0.490 4.610 4.120 -0.000 0.000 0.293 387 V C -0.080 176.041 176.094 0.046 0.000 1.021 387 V CA -0.274 62.114 62.300 0.147 0.000 0.848 387 V CB 0.766 32.548 31.823 -0.067 0.000 0.998 387 V HN 0.910 nan 8.190 nan 0.000 0.424 388 T N 4.149 118.730 114.554 0.044 0.000 2.819 388 T HA 0.810 5.160 4.350 -0.000 0.000 0.271 388 T C -0.618 174.079 174.700 -0.006 0.000 0.986 388 T CA -0.736 61.370 62.100 0.010 0.000 0.989 388 T CB 1.669 70.547 68.868 0.017 0.000 1.396 388 T HN 1.057 nan 8.240 nan 0.000 0.597 389 Q N -0.604 119.190 119.800 -0.010 0.000 2.313 389 Q HA 0.635 4.975 4.340 -0.000 0.000 0.255 389 Q C -1.333 174.661 176.000 -0.011 0.000 0.944 389 Q CA -0.731 55.064 55.803 -0.013 0.000 0.881 389 Q CB 1.648 30.375 28.738 -0.018 0.000 1.375 389 Q HN 0.542 nan 8.270 nan 0.000 0.422 390 S N 1.946 117.640 115.700 -0.011 0.000 2.549 390 S HA 0.499 4.969 4.470 -0.000 0.000 0.297 390 S C -0.881 173.711 174.600 -0.014 0.000 1.115 390 S CA -0.478 57.716 58.200 -0.010 0.000 1.059 390 S CB 0.529 63.724 63.200 -0.008 0.000 1.046 390 S HN 0.642 nan 8.310 nan 0.000 0.506 391 K N 2.267 122.660 120.400 -0.012 0.000 4.838 391 K HA -0.157 4.163 4.320 -0.000 0.000 0.300 391 K C 0.755 177.341 176.600 -0.022 0.000 0.861 391 K CA 0.482 56.760 56.287 -0.015 0.000 0.929 391 K CB -1.830 30.662 32.500 -0.014 0.000 1.772 391 K HN 1.048 nan 8.250 nan 0.000 0.422 392 G N 2.166 110.954 108.800 -0.021 0.000 2.176 392 G HA2 -0.307 3.653 3.960 -0.000 0.000 0.273 392 G HA3 -0.307 3.653 3.960 -0.000 0.000 0.273 392 G C 0.568 175.431 174.900 -0.062 0.000 0.730 392 G CA 1.433 46.513 45.100 -0.033 0.000 0.879 392 G HN 0.873 nan 8.290 nan 0.000 0.454 393 Q N -3.369 116.397 119.800 -0.058 0.000 1.690 393 Q HA 0.314 4.654 4.340 -0.000 0.000 0.161 393 Q C -0.520 175.446 176.000 -0.057 0.000 0.764 393 Q CA -0.330 55.428 55.803 -0.075 0.000 0.793 393 Q CB 0.365 29.059 28.738 -0.074 0.000 1.217 393 Q HN 0.341 nan 8.270 nan 0.000 0.372 394 V N 2.160 122.049 119.914 -0.041 0.000 2.686 394 V HA 0.477 4.597 4.120 -0.000 0.000 0.306 394 V C -0.542 175.537 176.094 -0.026 0.000 1.065 394 V CA -0.658 61.624 62.300 -0.031 0.000 0.894 394 V CB 2.021 33.831 31.823 -0.022 0.000 1.004 394 V HN 0.255 nan 8.190 nan 0.000 0.424 395 L N 5.222 126.428 121.223 -0.029 0.000 2.334 395 L HA 0.635 4.975 4.340 -0.000 0.000 0.277 395 L C -0.712 176.160 176.870 0.003 0.000 1.075 395 L CA -0.417 54.403 54.840 -0.032 0.000 0.804 395 L CB 1.311 43.327 42.059 -0.073 0.000 1.174 395 L HN 0.397 nan 8.230 nan 0.000 0.438 396 L N 3.013 124.253 121.223 0.028 0.000 2.410 396 L HA 0.581 4.921 4.340 -0.000 0.000 0.270 396 L C -1.380 175.607 176.870 0.194 0.000 0.983 396 L CA -0.511 54.380 54.840 0.085 0.000 0.822 396 L CB 2.258 44.347 42.059 0.050 0.000 1.285 396 L HN 0.655 nan 8.230 nan 0.000 0.409 397 W N 5.282 126.578 121.300 -0.006 0.000 4.020 397 W HA 0.421 5.081 4.660 -0.000 0.000 0.293 397 W C -2.439 174.109 176.519 0.048 0.000 1.236 397 W CA -0.499 56.867 57.345 0.035 0.000 1.265 397 W CB 1.560 31.059 29.460 0.066 0.000 1.248 397 W HN 0.719 nan 8.180 nan 0.000 0.501 398 Q N 7.508 127.009 119.800 -0.499 0.000 2.821 398 Q HA 0.186 4.526 4.340 -0.000 0.000 0.217 398 Q C -2.693 172.994 176.000 -0.522 0.000 0.775 398 Q CA -1.039 54.476 55.803 -0.480 0.000 0.930 398 Q CB 2.422 31.063 28.738 -0.161 0.000 1.511 398 Q HN 0.202 nan 8.270 nan 0.000 0.457 399 P HA 0.114 nan 4.420 nan 0.000 0.275 399 P C -0.690 176.444 177.300 -0.277 0.000 1.227 399 P CA 0.183 62.994 63.100 -0.481 0.000 0.781 399 P CB 1.226 32.605 31.700 -0.535 0.000 0.906 400 T N -0.238 114.152 114.554 -0.274 0.000 2.887 400 T HA 0.791 5.141 4.350 -0.000 0.000 0.288 400 T C 0.063 174.450 174.700 -0.521 0.000 1.021 400 T CA -0.792 61.084 62.100 -0.374 0.000 1.000 400 T CB 2.068 70.761 68.868 -0.291 0.000 1.034 400 T HN 0.516 nan 8.240 nan 0.000 0.467 401 G N 0.313 108.407 108.800 -1.176 0.000 3.022 401 G HA2 0.815 4.775 3.960 -0.000 0.000 0.284 401 G HA3 0.815 4.775 3.960 -0.000 0.000 0.284 401 G C -0.806 173.552 174.900 -0.903 0.000 1.375 401 G CA -0.503 44.001 45.100 -0.993 0.000 0.902 401 G HN 1.234 nan 8.290 nan 0.000 0.538 402 T N -2.350 112.097 114.554 -0.177 0.000 2.900 402 T HA 0.711 5.061 4.350 -0.000 0.000 0.303 402 T C -1.101 173.683 174.700 0.140 0.000 1.142 402 T CA -0.637 61.474 62.100 0.018 0.000 1.007 402 T CB 1.753 70.597 68.868 -0.040 0.000 1.156 402 T HN 0.488 nan 8.240 nan 0.000 0.490 403 I N 3.151 123.738 120.570 0.029 0.000 2.439 403 I HA 0.453 4.623 4.170 -0.000 0.000 0.283 403 I C 0.206 176.205 176.117 -0.196 0.000 1.023 403 I CA -0.690 60.464 61.300 -0.243 0.000 1.100 403 I CB 1.966 39.727 38.000 -0.398 0.000 1.238 403 I HN 1.020 nan 8.210 nan 0.000 0.445 404 T N 1.044 115.478 114.554 -0.200 0.000 2.888 404 T HA 0.566 4.916 4.350 -0.000 0.000 0.288 404 T C 0.106 174.737 174.700 -0.115 0.000 1.063 404 T CA -0.819 61.211 62.100 -0.117 0.000 1.010 404 T CB 1.750 70.575 68.868 -0.071 0.000 1.214 404 T HN 0.488 nan 8.240 nan 0.000 0.533 405 S N 0.175 115.842 115.700 -0.055 0.000 2.614 405 S HA 0.271 4.741 4.470 -0.000 0.000 0.265 405 S C 1.198 175.790 174.600 -0.013 0.000 1.303 405 S CA -0.469 57.713 58.200 -0.031 0.000 1.000 405 S CB 0.594 63.794 63.200 0.000 0.000 0.935 405 S HN 0.658 nan 8.310 nan 0.000 0.551 406 S N 1.049 116.750 115.700 0.002 0.000 2.500 406 S HA -0.064 4.406 4.470 -0.000 0.000 0.239 406 S C 0.847 175.460 174.600 0.021 0.000 0.989 406 S CA 0.999 59.208 58.200 0.015 0.000 0.951 406 S CB -0.441 62.773 63.200 0.024 0.000 0.759 406 S HN 0.728 nan 8.310 nan 0.000 0.523 407 D N 1.039 121.452 120.400 0.022 0.000 2.845 407 D HA 0.062 4.702 4.640 -0.000 0.000 0.272 407 D C 0.350 176.664 176.300 0.024 0.000 1.275 407 D CA 0.293 54.309 54.000 0.027 0.000 1.029 407 D CB -0.348 40.472 40.800 0.033 0.000 1.131 407 D HN 0.128 nan 8.370 nan 0.000 0.423 408 N N 1.943 120.663 118.700 0.033 0.000 2.508 408 N HA 0.062 4.802 4.740 -0.000 0.000 0.253 408 N C 0.301 175.796 175.510 -0.025 0.000 1.145 408 N CA 0.180 53.244 53.050 0.023 0.000 0.973 408 N CB 1.036 39.591 38.487 0.114 0.000 1.305 408 N HN 0.014 nan 8.380 nan 0.000 0.506 409 T N 0.540 115.073 114.554 -0.036 0.000 3.052 409 T HA -0.087 4.263 4.350 -0.000 0.000 0.270 409 T C 1.224 175.874 174.700 -0.084 0.000 1.147 409 T CA 1.033 63.107 62.100 -0.043 0.000 1.089 409 T CB 0.337 69.188 68.868 -0.027 0.000 0.875 409 T HN 0.420 nan 8.240 nan 0.000 0.541 410 E N -0.338 119.768 120.200 -0.156 0.000 2.290 410 E HA 0.126 4.476 4.350 -0.000 0.000 0.199 410 E C 0.712 177.144 176.600 -0.281 0.000 0.912 410 E CA 0.524 56.767 56.400 -0.260 0.000 0.924 410 E CB 0.220 29.678 29.700 -0.402 0.000 0.901 410 E HN 0.544 nan 8.360 nan 0.000 0.487 411 H N -0.394 118.660 119.070 -0.027 0.000 2.585 411 H HA 0.323 4.879 4.556 -0.000 0.000 0.338 411 H C 1.045 176.346 175.328 -0.045 0.000 1.295 411 H CA -0.357 55.671 56.048 -0.034 0.000 1.356 411 H CB 1.846 31.590 29.762 -0.029 0.000 1.736 411 H HN -0.046 nan 8.280 nan 0.000 0.629 412 I N -0.580 120.051 120.570 0.101 0.000 4.139 412 I HA 0.242 4.412 4.170 -0.000 0.000 0.320 412 I C 1.074 177.191 176.117 -0.000 0.000 1.290 412 I CA 0.848 62.152 61.300 0.007 0.000 1.253 412 I CB -0.021 37.956 38.000 -0.038 0.000 1.122 412 I HN 0.757 nan 8.210 nan 0.000 0.421 413 A N 1.046 123.870 122.820 0.007 0.000 5.684 413 A HA -0.335 3.985 4.320 -0.000 0.000 0.306 413 A C 1.355 178.914 177.584 -0.043 0.000 1.885 413 A CA 0.984 53.006 52.037 -0.026 0.000 0.721 413 A CB -2.253 16.749 19.000 0.002 0.000 1.295 413 A HN 0.728 nan 8.150 nan 0.000 0.386 414 G N -0.500 108.284 108.800 -0.027 0.000 3.374 414 G HA2 0.423 4.383 3.960 -0.000 0.000 0.252 414 G HA3 0.423 4.383 3.960 -0.000 0.000 0.252 414 G C -0.193 174.693 174.900 -0.023 0.000 1.326 414 G CA 1.054 46.132 45.100 -0.037 0.000 1.133 414 G HN 0.693 nan 8.290 nan 0.000 0.528 415 D N -0.148 120.236 120.400 -0.027 0.000 2.385 415 D HA 0.534 5.174 4.640 -0.000 0.000 0.254 415 D C 0.105 176.365 176.300 -0.068 0.000 1.053 415 D CA -0.326 53.670 54.000 -0.006 0.000 0.992 415 D CB 1.825 42.623 40.800 -0.003 0.000 1.145 415 D HN -0.007 nan 8.370 nan 0.000 0.523 416 I N 0.947 121.490 120.570 -0.044 0.000 2.410 416 I HA 0.435 4.605 4.170 -0.000 0.000 0.286 416 I C 0.029 176.107 176.117 -0.064 0.000 1.009 416 I CA -0.990 60.262 61.300 -0.081 0.000 1.111 416 I CB 1.644 39.604 38.000 -0.068 0.000 1.262 416 I HN 0.259 nan 8.210 nan 0.000 0.443 417 A N 6.510 129.261 122.820 -0.115 0.000 2.462 417 A HA 0.668 4.988 4.320 -0.000 0.000 0.243 417 A C -0.231 177.396 177.584 0.071 0.000 1.076 417 A CA -0.081 51.912 52.037 -0.075 0.000 0.773 417 A CB 0.464 19.375 19.000 -0.149 0.000 1.010 417 A HN 0.518 nan 8.150 nan 0.000 0.493 418 V N 0.428 120.469 119.914 0.211 0.000 2.808 418 V HA 0.789 4.909 4.120 -0.000 0.000 0.308 418 V C 0.009 176.240 176.094 0.228 0.000 1.099 418 V CA -0.012 62.441 62.300 0.256 0.000 0.920 418 V CB 1.435 33.349 31.823 0.151 0.000 1.014 418 V HN 1.626 nan 8.190 nan 0.000 0.425 419 A N 4.149 127.039 122.820 0.117 0.000 2.594 419 A HA 0.935 5.255 4.320 -0.000 0.000 0.295 419 A C -1.150 176.374 177.584 -0.100 0.000 1.071 419 A CA -0.643 51.336 52.037 -0.097 0.000 0.685 419 A CB 1.930 20.683 19.000 -0.411 0.000 1.285 419 A HN 1.422 nan 8.150 nan 0.000 0.405 420 L N 0.653 121.781 121.223 -0.158 0.000 2.334 420 L HA 0.987 5.327 4.340 -0.000 0.000 0.275 420 L C 0.378 177.145 176.870 -0.172 0.000 1.036 420 L CA -0.258 54.460 54.840 -0.203 0.000 0.807 420 L CB 1.590 43.421 42.059 -0.380 0.000 1.231 420 L HN 0.788 nan 8.230 nan 0.000 0.438 421 G N 0.909 109.624 108.800 -0.143 0.000 3.392 421 G HA2 0.154 4.114 3.960 -0.000 0.000 0.188 421 G HA3 0.154 4.114 3.960 -0.000 0.000 0.188 421 G C -0.634 174.209 174.900 -0.094 0.000 1.485 421 G CA -0.556 44.487 45.100 -0.094 0.000 0.943 421 G HN 0.731 nan 8.290 nan 0.000 0.627 422 D N 1.984 122.352 120.400 -0.053 0.000 2.819 422 D HA 0.008 4.648 4.640 -0.000 0.000 0.236 422 D C 0.885 177.155 176.300 -0.051 0.000 1.181 422 D CA 0.791 54.773 54.000 -0.030 0.000 0.855 422 D CB 0.283 41.079 40.800 -0.006 0.000 1.146 422 D HN 0.443 nan 8.370 nan 0.000 0.540 423 R N 0.506 120.988 120.500 -0.030 0.000 2.943 423 R HA 0.687 5.027 4.340 -0.000 0.000 0.246 423 R C -0.631 175.746 176.300 0.129 0.000 1.201 423 R CA -0.963 55.136 56.100 -0.002 0.000 1.056 423 R CB 0.978 31.255 30.300 -0.038 0.000 1.243 423 R HN 0.174 nan 8.270 nan 0.000 0.498 424 V N 0.693 120.773 119.914 0.276 0.000 2.997 424 V HA 0.504 4.624 4.120 -0.000 0.000 0.311 424 V C -1.058 175.124 176.094 0.147 0.000 1.066 424 V CA -0.885 61.532 62.300 0.195 0.000 1.039 424 V CB 1.507 33.428 31.823 0.163 0.000 1.081 424 V HN 0.622 nan 8.190 nan 0.000 0.467 425 L N 4.768 126.052 121.223 0.102 0.000 2.482 425 L HA 0.604 4.944 4.340 -0.000 0.000 0.269 425 L C -1.024 175.900 176.870 0.090 0.000 0.967 425 L CA -0.142 54.762 54.840 0.106 0.000 0.851 425 L CB 1.603 43.732 42.059 0.117 0.000 1.242 425 L HN 0.781 nan 8.230 nan 0.000 0.404 426 N N 2.191 120.932 118.700 0.070 0.000 2.342 426 N HA 0.628 5.368 4.740 -0.000 0.000 0.293 426 N C -1.379 174.175 175.510 0.073 0.000 1.026 426 N CA -0.171 52.899 53.050 0.033 0.000 0.857 426 N CB 1.801 40.255 38.487 -0.056 0.000 1.256 426 N HN 0.554 nan 8.380 nan 0.000 0.484 427 S N 2.322 118.095 115.700 0.122 0.000 2.451 427 S HA 0.257 4.727 4.470 -0.000 0.000 0.301 427 S C 0.291 174.943 174.600 0.087 0.000 1.116 427 S CA -0.490 57.852 58.200 0.236 0.000 1.093 427 S CB 0.505 63.977 63.200 0.453 0.000 1.017 427 S HN 0.707 nan 8.310 nan 0.000 0.482 428 H N 3.549 122.541 119.070 -0.130 0.000 2.539 428 H HA 0.318 4.874 4.556 -0.000 0.000 0.267 428 H C -0.094 175.266 175.328 0.054 0.000 0.982 428 H CA 0.374 56.358 56.048 -0.106 0.000 1.146 428 H CB 0.326 29.988 29.762 -0.166 0.000 1.382 428 H HN 0.460 nan 8.280 nan 0.000 0.577 429 I N 1.064 121.787 120.570 0.255 0.000 2.441 429 I HA -0.042 4.128 4.170 -0.000 0.000 0.295 429 I C 1.077 177.282 176.117 0.146 0.000 0.994 429 I CA -0.508 60.925 61.300 0.222 0.000 1.144 429 I CB 2.117 40.299 38.000 0.303 0.000 1.314 429 I HN 0.036 nan 8.210 nan 0.000 0.445 430 M N 3.905 123.559 119.600 0.089 0.000 2.117 430 M HA -0.080 4.400 4.480 -0.000 0.000 0.262 430 M C 0.707 177.041 176.300 0.055 0.000 1.065 430 M CA 2.033 57.367 55.300 0.057 0.000 1.114 430 M CB -0.071 32.553 32.600 0.038 0.000 1.361 430 M HN 0.334 nan 8.290 nan 0.000 0.408 431 E N 2.100 122.333 120.200 0.055 0.000 2.490 431 E HA 0.338 4.688 4.350 -0.000 0.000 0.232 431 E C -2.332 174.276 176.600 0.014 0.000 1.091 431 E CA -1.914 54.505 56.400 0.031 0.000 1.050 431 E CB -0.452 29.259 29.700 0.018 0.000 1.342 431 E HN 0.397 nan 8.360 nan 0.000 0.454 432 P HA 0.020 nan 4.420 nan 0.000 0.265 432 P C -0.124 177.102 177.300 -0.123 0.000 1.193 432 P CA -0.078 62.993 63.100 -0.049 0.000 0.765 432 P CB 1.021 32.728 31.700 0.012 0.000 0.823 433 Q N 1.680 121.330 119.800 -0.250 0.000 2.257 433 Q HA 0.192 4.532 4.340 -0.000 0.000 0.262 433 Q C 1.011 176.765 176.000 -0.409 0.000 0.997 433 Q CA -0.610 55.005 55.803 -0.313 0.000 0.873 433 Q CB 0.709 29.192 28.738 -0.424 0.000 1.312 433 Q HN 0.485 nan 8.270 nan 0.000 0.450 434 Y N 0.572 120.797 120.300 -0.125 0.000 2.173 434 Y HA -0.257 4.293 4.550 -0.000 0.000 0.282 434 Y C 1.964 177.760 175.900 -0.173 0.000 1.192 434 Y CA 1.922 59.947 58.100 -0.125 0.000 1.176 434 Y CB -1.238 37.169 38.460 -0.088 0.000 0.969 434 Y HN 0.548 nan 8.280 nan 0.000 0.519 435 S N 0.563 115.647 115.700 -1.027 0.000 2.365 435 S HA -0.276 4.194 4.470 -0.000 0.000 0.221 435 S C 1.811 176.114 174.600 -0.496 0.000 1.037 435 S CA 1.887 59.719 58.200 -0.613 0.000 1.060 435 S CB -0.814 61.949 63.200 -0.727 0.000 0.974 435 S HN 0.679 nan 8.310 nan 0.000 0.427 436 D N 0.703 120.696 120.400 -0.679 0.000 2.190 436 D HA -0.097 4.543 4.640 -0.000 0.000 0.200 436 D C 2.128 177.734 176.300 -1.155 0.000 0.992 436 D CA 1.308 54.629 54.000 -1.131 0.000 0.854 436 D CB -0.539 39.426 40.800 -1.392 0.000 0.936 436 D HN 0.359 nan 8.370 nan 0.000 0.462 437 V N 1.641 121.198 119.914 -0.594 0.000 2.216 437 V HA -0.233 3.887 4.120 -0.000 0.000 0.243 437 V C 2.701 178.696 176.094 -0.165 0.000 1.044 437 V CA 1.269 63.405 62.300 -0.274 0.000 0.995 437 V CB -0.770 30.989 31.823 -0.108 0.000 0.633 437 V HN 0.152 nan 8.190 nan 0.000 0.446 438 L N -0.074 121.078 121.223 -0.119 0.000 2.030 438 L HA -0.366 3.974 4.340 -0.000 0.000 0.222 438 L C 2.650 179.488 176.870 -0.054 0.000 1.082 438 L CA 2.735 57.542 54.840 -0.055 0.000 0.785 438 L CB -0.304 41.736 42.059 -0.032 0.000 0.895 438 L HN 0.541 nan 8.230 nan 0.000 0.439 439 E N -0.663 119.463 120.200 -0.123 0.000 2.031 439 E HA -0.255 4.095 4.350 -0.000 0.000 0.193 439 E C 1.802 178.485 176.600 0.139 0.000 0.994 439 E CA 1.838 58.216 56.400 -0.037 0.000 0.800 439 E CB -0.355 29.296 29.700 -0.082 0.000 0.752 439 E HN 0.552 nan 8.360 nan 0.000 0.447 440 W N 1.309 122.591 121.300 -0.030 0.000 2.721 440 W HA 0.036 4.696 4.660 -0.000 0.000 0.245 440 W C 1.578 178.090 176.519 -0.012 0.000 1.276 440 W CA 0.908 58.241 57.345 -0.021 0.000 1.342 440 W CB -1.302 28.162 29.460 0.006 0.000 1.135 440 W HN 0.117 nan 8.180 nan 0.000 0.654 441 T N 0.920 115.583 114.554 0.183 0.000 3.127 441 T HA -0.043 4.307 4.350 -0.000 0.000 0.207 441 T C 0.388 175.133 174.700 0.075 0.000 0.912 441 T CA 0.186 62.354 62.100 0.113 0.000 2.256 441 T CB -0.463 68.448 68.868 0.072 0.000 1.591 441 T HN -0.268 nan 8.240 nan 0.000 0.397 442 R N 2.042 122.572 120.500 0.050 0.000 4.158 442 R HA 0.141 4.481 4.340 -0.000 0.000 0.269 442 R C -0.015 176.292 176.300 0.013 0.000 0.622 442 R CA 0.197 56.317 56.100 0.033 0.000 0.964 442 R CB -0.834 29.482 30.300 0.027 0.000 0.927 442 R HN 0.248 nan 8.270 nan 0.000 0.329 443 L N 0.569 121.806 121.223 0.024 0.000 4.831 443 L HA 0.163 4.503 4.340 -0.000 0.000 0.493 443 L C -0.635 176.256 176.870 0.035 0.000 0.843 443 L CA 0.336 55.187 54.840 0.017 0.000 2.008 443 L CB 0.177 42.242 42.059 0.009 0.000 2.083 443 L HN 0.564 nan 8.230 nan 0.000 0.609 444 M N -0.024 119.600 119.600 0.041 0.000 2.363 444 M HA 0.870 5.350 4.480 -0.000 0.000 0.343 444 M C -0.179 176.141 176.300 0.035 0.000 1.165 444 M CA -0.067 55.257 55.300 0.040 0.000 1.046 444 M CB 1.677 34.307 32.600 0.049 0.000 1.648 444 M HN 0.021 nan 8.290 nan 0.000 0.452 445 A N 1.380 124.213 122.820 0.021 0.000 2.530 445 A HA 0.948 5.268 4.320 -0.000 0.000 0.288 445 A C -0.672 176.906 177.584 -0.011 0.000 1.172 445 A CA -0.614 51.435 52.037 0.019 0.000 0.733 445 A CB 1.664 20.684 19.000 0.034 0.000 1.320 445 A HN 0.907 nan 8.150 nan 0.000 0.419 446 T N -0.905 113.643 114.554 -0.010 0.000 2.824 446 T HA 0.665 5.015 4.350 -0.000 0.000 0.282 446 T C -0.771 173.897 174.700 -0.054 0.000 0.993 446 T CA -0.382 61.693 62.100 -0.041 0.000 0.967 446 T CB 0.603 69.456 68.868 -0.026 0.000 0.960 446 T HN 0.758 nan 8.240 nan 0.000 0.441 447 I N 0.680 121.177 120.570 -0.121 0.000 2.436 447 I HA 0.627 4.797 4.170 -0.000 0.000 0.289 447 I C -0.096 175.870 176.117 -0.251 0.000 1.010 447 I CA -1.061 60.140 61.300 -0.165 0.000 1.098 447 I CB 1.659 39.483 38.000 -0.293 0.000 1.266 447 I HN 0.689 nan 8.210 nan 0.000 0.434 448 E N 4.414 124.516 120.200 -0.164 0.000 2.199 448 E HA 0.569 4.919 4.350 -0.000 0.000 0.269 448 E C -1.198 175.337 176.600 -0.108 0.000 0.899 448 E CA -0.734 55.570 56.400 -0.159 0.000 0.772 448 E CB 1.697 31.379 29.700 -0.030 0.000 1.155 448 E HN 0.402 nan 8.360 nan 0.000 0.408 449 F N 1.657 121.650 119.950 0.070 0.000 2.444 449 F HA 0.030 4.557 4.527 -0.000 0.000 0.331 449 F C 1.599 177.440 175.800 0.068 0.000 1.167 449 F CA 0.019 58.072 58.000 0.088 0.000 1.262 449 F CB 0.617 39.642 39.000 0.043 0.000 1.196 449 F HN 0.543 nan 8.300 nan 0.000 0.583 450 D N 0.632 121.205 120.400 0.288 0.000 2.278 450 D HA -0.014 4.626 4.640 -0.000 0.000 0.228 450 D C 0.563 176.926 176.300 0.106 0.000 1.020 450 D CA 0.924 55.013 54.000 0.148 0.000 0.922 450 D CB 0.057 40.916 40.800 0.099 0.000 1.051 450 D HN 0.353 nan 8.370 nan 0.000 0.452 451 K N 0.299 120.746 120.400 0.079 0.000 2.126 451 K HA 0.340 4.660 4.320 -0.000 0.000 0.257 451 K C 0.611 177.225 176.600 0.024 0.000 1.007 451 K CA -0.248 56.060 56.287 0.034 0.000 0.928 451 K CB 1.576 34.081 32.500 0.007 0.000 1.013 451 K HN -0.070 nan 8.250 nan 0.000 0.473 452 A N 1.359 124.183 122.820 0.007 0.000 2.067 452 A HA 0.000 4.320 4.320 -0.000 0.000 0.217 452 A C 0.139 177.693 177.584 -0.051 0.000 1.156 452 A CA 1.094 53.127 52.037 -0.007 0.000 0.683 452 A CB -0.142 18.857 19.000 -0.001 0.000 0.808 452 A HN 0.658 nan 8.150 nan 0.000 0.455 453 S N -1.941 113.724 115.700 -0.058 0.000 2.607 453 S HA 0.698 5.168 4.470 -0.000 0.000 0.273 453 S C -0.762 173.790 174.600 -0.081 0.000 1.148 453 S CA -0.106 58.044 58.200 -0.082 0.000 0.833 453 S CB 1.555 64.718 63.200 -0.062 0.000 1.130 453 S HN 1.237 nan 8.310 nan 0.000 0.470 454 V N -2.314 117.543 119.914 -0.095 0.000 3.188 454 V HA 0.878 4.998 4.120 -0.000 0.000 0.305 454 V C -0.690 175.359 176.094 -0.075 0.000 1.232 454 V CA -0.792 61.459 62.300 -0.082 0.000 1.043 454 V CB 1.242 33.005 31.823 -0.099 0.000 1.068 454 V HN 1.006 nan 8.190 nan 0.000 0.439 455 T N 0.894 115.412 114.554 -0.060 0.000 2.918 455 T HA 0.424 4.774 4.350 -0.000 0.000 0.286 455 T C 1.277 175.939 174.700 -0.062 0.000 1.026 455 T CA 0.197 62.261 62.100 -0.060 0.000 1.031 455 T CB 1.577 70.415 68.868 -0.049 0.000 1.046 455 T HN 1.295 nan 8.240 nan 0.000 0.479 456 S N 1.064 116.717 115.700 -0.079 0.000 2.419 456 S HA -0.151 4.319 4.470 -0.000 0.000 0.235 456 S C 1.873 176.410 174.600 -0.106 0.000 1.019 456 S CA 1.431 59.577 58.200 -0.090 0.000 0.982 456 S CB -0.684 62.449 63.200 -0.112 0.000 0.789 456 S HN 0.700 nan 8.310 nan 0.000 0.490 457 S N 0.809 116.443 115.700 -0.111 0.000 2.562 457 S HA 0.198 4.668 4.470 -0.000 0.000 0.221 457 S C 0.642 175.315 174.600 0.122 0.000 0.975 457 S CA -0.267 57.885 58.200 -0.080 0.000 0.918 457 S CB -0.152 62.992 63.200 -0.094 0.000 0.772 457 S HN 0.639 nan 8.310 nan 0.000 0.531 458 E N 1.132 121.362 120.200 0.050 0.000 3.188 458 E HA 0.360 4.710 4.350 -0.000 0.000 0.262 458 E C 0.380 177.004 176.600 0.040 0.000 1.341 458 E CA -0.516 55.908 56.400 0.039 0.000 1.140 458 E CB 0.515 30.213 29.700 -0.003 0.000 1.306 458 E HN 0.063 nan 8.360 nan 0.000 0.694 459 K N -0.492 119.913 120.400 0.008 0.000 2.425 459 K HA 0.158 4.478 4.320 -0.000 0.000 0.201 459 K C -0.910 175.686 176.600 -0.007 0.000 1.128 459 K CA 0.088 56.372 56.287 -0.005 0.000 1.000 459 K CB 1.102 33.593 32.500 -0.014 0.000 0.961 459 K HN 0.224 nan 8.250 nan 0.000 0.555 460 V N 2.394 122.307 119.914 -0.002 0.000 4.959 460 V HA -0.198 3.922 4.120 -0.000 0.000 0.370 460 V C -0.246 175.931 176.094 0.139 0.000 0.656 460 V CA 1.152 63.470 62.300 0.029 0.000 1.480 460 V CB -1.641 30.171 31.823 -0.020 0.000 1.789 460 V HN 0.499 nan 8.190 nan 0.000 0.474 461 T N 5.526 120.159 114.554 0.132 0.000 2.909 461 T HA 0.849 5.199 4.350 -0.000 0.000 0.286 461 T C -0.635 174.227 174.700 0.271 0.000 1.002 461 T CA 0.161 62.327 62.100 0.110 0.000 1.074 461 T CB 1.114 69.993 68.868 0.018 0.000 0.984 461 T HN 1.447 nan 8.240 nan 0.000 0.495 462 F N 0.686 120.682 119.950 0.075 0.000 2.654 462 F HA 0.809 5.336 4.527 -0.000 0.000 0.308 462 F C -1.020 174.775 175.800 -0.008 0.000 1.108 462 F CA -1.273 56.754 58.000 0.043 0.000 0.957 462 F CB 1.285 40.291 39.000 0.010 0.000 1.309 462 F HN 0.547 nan 8.300 nan 0.000 0.446 463 K N 1.077 121.594 120.400 0.194 0.000 2.313 463 K HA 0.803 5.123 4.320 -0.000 0.000 0.235 463 K C -1.665 175.038 176.600 0.172 0.000 1.035 463 K CA -1.399 54.932 56.287 0.074 0.000 0.868 463 K CB 2.608 35.117 32.500 0.016 0.000 1.232 463 K HN 0.502 nan 8.250 nan 0.000 0.459 464 V N 2.388 122.346 119.914 0.074 0.000 2.293 464 V HA 0.049 4.169 4.120 -0.000 0.000 0.275 464 V C 0.746 176.862 176.094 0.038 0.000 1.021 464 V CA -0.326 62.014 62.300 0.067 0.000 0.815 464 V CB 0.831 32.684 31.823 0.050 0.000 1.025 464 V HN 0.918 nan 8.190 nan 0.000 0.448 465 T N 2.000 116.571 114.554 0.028 0.000 2.684 465 T HA -0.085 4.265 4.350 -0.000 0.000 0.267 465 T C 0.822 175.551 174.700 0.048 0.000 1.036 465 T CA 1.672 63.789 62.100 0.028 0.000 1.148 465 T CB 0.040 68.916 68.868 0.012 0.000 0.863 465 T HN 0.607 nan 8.240 nan 0.000 0.436 466 S N -1.379 114.354 115.700 0.055 0.000 2.595 466 S HA 0.557 5.027 4.470 -0.000 0.000 0.270 466 S C -1.440 173.209 174.600 0.081 0.000 1.145 466 S CA -0.591 57.657 58.200 0.080 0.000 0.825 466 S CB 1.036 64.275 63.200 0.066 0.000 1.107 466 S HN 0.826 nan 8.310 nan 0.000 0.461 467 C N 0.468 119.830 119.300 0.103 0.000 3.253 467 C HA 0.958 5.418 4.460 -0.000 0.000 0.362 467 C C 0.994 176.040 174.990 0.092 0.000 1.487 467 C CA -0.094 58.980 59.018 0.094 0.000 1.179 467 C CB 0.381 28.190 27.740 0.115 0.000 1.660 467 C HN 1.170 nan 8.230 nan 0.000 0.438 468 G N -0.063 108.780 108.800 0.072 0.000 2.546 468 G HA2 0.546 4.506 3.960 -0.000 0.000 0.239 468 G HA3 0.546 4.506 3.960 -0.000 0.000 0.239 468 G C 0.998 175.924 174.900 0.043 0.000 1.476 468 G CA 0.203 45.333 45.100 0.050 0.000 1.064 468 G HN 1.910 nan 8.290 nan 0.000 0.561 469 A N -1.645 121.174 122.820 -0.001 0.000 2.195 469 A HA 0.326 4.646 4.320 -0.000 0.000 0.210 469 A C 1.902 179.452 177.584 -0.058 0.000 1.165 469 A CA 1.345 53.363 52.037 -0.032 0.000 0.806 469 A CB -0.015 18.953 19.000 -0.053 0.000 0.847 469 A HN 0.450 nan 8.150 nan 0.000 0.482 470 E N -1.817 118.359 120.200 -0.041 0.000 2.182 470 E HA 0.361 4.711 4.350 -0.000 0.000 0.195 470 E C -0.084 176.623 176.600 0.179 0.000 0.933 470 E CA 0.401 56.805 56.400 0.006 0.000 0.940 470 E CB 0.107 29.687 29.700 -0.201 0.000 0.945 470 E HN 0.500 nan 8.360 nan 0.000 0.477 471 L N 1.250 122.548 121.223 0.126 0.000 2.805 471 L HA -0.107 4.233 4.340 -0.000 0.000 0.688 471 L C -1.343 175.627 176.870 0.167 0.000 1.050 471 L CA -0.159 54.765 54.840 0.139 0.000 1.362 471 L CB -0.534 41.621 42.059 0.160 0.000 1.968 471 L HN 0.043 nan 8.230 nan 0.000 0.923 472 I N 4.839 125.486 120.570 0.129 0.000 2.587 472 I HA 0.064 4.234 4.170 -0.000 0.000 0.284 472 I C 1.657 177.803 176.117 0.048 0.000 1.134 472 I CA 0.527 61.899 61.300 0.121 0.000 1.410 472 I CB 0.652 38.697 38.000 0.074 0.000 1.392 472 I HN 0.778 nan 8.210 nan 0.000 0.545 473 R N 4.727 125.254 120.500 0.045 0.000 2.041 473 R HA 0.023 4.363 4.340 -0.000 0.000 0.221 473 R C 0.094 176.327 176.300 -0.112 0.000 1.196 473 R CA 0.845 56.925 56.100 -0.034 0.000 0.969 473 R CB 0.288 30.586 30.300 -0.003 0.000 0.858 473 R HN 0.894 nan 8.270 nan 0.000 0.444 474 N N -1.545 117.117 118.700 -0.062 0.000 2.357 474 N HA 0.352 5.092 4.740 -0.000 0.000 0.284 474 N C -1.651 173.853 175.510 -0.011 0.000 1.236 474 N CA -0.841 52.163 53.050 -0.078 0.000 0.774 474 N CB 2.358 40.791 38.487 -0.090 0.000 1.534 474 N HN -0.122 nan 8.380 nan 0.000 0.478 475 V N 0.313 120.241 119.914 0.023 0.000 2.686 475 V HA 0.616 4.736 4.120 -0.000 0.000 0.306 475 V C -1.169 174.928 176.094 0.006 0.000 1.065 475 V CA -0.615 61.703 62.300 0.029 0.000 0.894 475 V CB 1.146 32.998 31.823 0.049 0.000 1.004 475 V HN 0.608 nan 8.190 nan 0.000 0.424 476 L N 5.041 126.195 121.223 -0.114 0.000 2.401 476 L HA 0.726 5.066 4.340 -0.000 0.000 0.266 476 L C -0.736 175.873 176.870 -0.434 0.000 0.991 476 L CA -0.580 54.016 54.840 -0.407 0.000 0.818 476 L CB 1.797 43.421 42.059 -0.725 0.000 1.321 476 L HN 0.738 nan 8.230 nan 0.000 0.413 477 Y N -0.367 119.582 120.300 -0.586 0.000 2.524 477 Y HA 0.923 5.473 4.550 -0.000 0.000 0.344 477 Y C -1.231 174.283 175.900 -0.644 0.000 1.012 477 Y CA -1.533 56.318 58.100 -0.414 0.000 1.068 477 Y CB 1.281 39.650 38.460 -0.151 0.000 1.249 477 Y HN 0.283 nan 8.280 nan 0.000 0.468 478 F N 0.542 120.558 119.950 0.110 0.000 2.603 478 F HA 0.751 5.278 4.527 -0.000 0.000 0.317 478 F C -0.510 175.366 175.800 0.127 0.000 1.066 478 F CA -1.409 56.637 58.000 0.076 0.000 0.941 478 F CB 2.467 41.493 39.000 0.044 0.000 1.291 478 F HN 0.631 nan 8.300 nan 0.000 0.472 479 K N 0.104 120.735 120.400 0.384 0.000 2.533 479 K HA 0.595 4.915 4.320 -0.000 0.000 0.272 479 K C -1.775 175.064 176.600 0.398 0.000 0.985 479 K CA -1.120 55.411 56.287 0.408 0.000 0.876 479 K CB 1.856 34.551 32.500 0.326 0.000 1.452 479 K HN 0.378 nan 8.250 nan 0.000 0.439 480 N N 0.468 119.413 118.700 0.407 0.000 2.473 480 N HA 0.397 5.137 4.740 -0.000 0.000 0.291 480 N C -1.195 174.461 175.510 0.244 0.000 1.083 480 N CA -0.522 52.655 53.050 0.212 0.000 0.951 480 N CB 1.871 40.423 38.487 0.108 0.000 1.164 480 N HN 0.380 nan 8.380 nan 0.000 0.480 481 V N 1.998 121.975 119.914 0.105 0.000 2.540 481 V HA 0.429 4.549 4.120 -0.000 0.000 0.302 481 V C -0.736 175.387 176.094 0.048 0.000 1.035 481 V CA -0.837 61.557 62.300 0.158 0.000 0.873 481 V CB 1.169 33.038 31.823 0.077 0.000 0.992 481 V HN 0.550 nan 8.190 nan 0.000 0.428 482 W N 2.406 123.696 121.300 -0.017 0.000 2.516 482 W HA 0.581 5.241 4.660 -0.000 0.000 0.343 482 W C 0.376 176.873 176.519 -0.036 0.000 1.094 482 W CA -0.532 56.794 57.345 -0.031 0.000 1.250 482 W CB 0.826 30.265 29.460 -0.036 0.000 1.308 482 W HN 0.435 nan 8.180 nan 0.000 0.588 483 N N 1.910 120.694 118.700 0.140 0.000 2.549 483 N HA 0.081 4.821 4.740 -0.000 0.000 0.281 483 N C 0.158 175.711 175.510 0.072 0.000 1.084 483 N CA -0.140 52.949 53.050 0.066 0.000 0.862 483 N CB 1.105 39.587 38.487 -0.009 0.000 1.333 483 N HN 0.421 nan 8.380 nan 0.000 0.523 484 D N 1.978 122.419 120.400 0.069 0.000 2.087 484 D HA -0.125 4.515 4.640 -0.000 0.000 0.192 484 D C 0.537 176.852 176.300 0.026 0.000 0.993 484 D CA 1.127 55.159 54.000 0.052 0.000 0.828 484 D CB 0.024 40.841 40.800 0.028 0.000 0.968 484 D HN 0.620 nan 8.370 nan 0.000 0.448 485 A N 0.951 123.777 122.820 0.009 0.000 2.899 485 A HA 0.394 4.714 4.320 -0.000 0.000 0.287 485 A C 0.256 177.836 177.584 -0.007 0.000 1.715 485 A CA 0.084 52.120 52.037 -0.002 0.000 1.393 485 A CB -0.648 18.346 19.000 -0.009 0.000 1.070 485 A HN 0.170 nan 8.150 nan 0.000 0.587 486 A N 2.612 125.429 122.820 -0.005 0.000 2.544 486 A HA 0.342 4.662 4.320 -0.000 0.000 0.301 486 A C 0.876 178.450 177.584 -0.017 0.000 1.368 486 A CA -0.255 51.773 52.037 -0.015 0.000 1.045 486 A CB -0.316 18.676 19.000 -0.014 0.000 1.129 486 A HN 0.830 nan 8.150 nan 0.000 0.540 487 E N 1.472 121.660 120.200 -0.021 0.000 2.338 487 E HA -0.108 4.242 4.350 -0.000 0.000 0.197 487 E C 0.539 177.128 176.600 -0.019 0.000 1.007 487 E CA 0.877 57.266 56.400 -0.019 0.000 0.849 487 E CB 0.351 30.039 29.700 -0.021 0.000 0.774 487 E HN 0.823 nan 8.360 nan 0.000 0.506 488 D N -2.331 118.055 120.400 -0.024 0.000 3.577 488 D HA 0.445 5.085 4.640 -0.000 0.000 0.195 488 D C 0.241 176.525 176.300 -0.026 0.000 1.366 488 D CA 0.383 54.368 54.000 -0.024 0.000 1.184 488 D CB 0.938 41.721 40.800 -0.029 0.000 1.206 488 D HN -0.046 nan 8.370 nan 0.000 0.525 489 A N -0.471 122.329 122.820 -0.034 0.000 1.519 489 A HA 0.055 4.375 4.320 -0.000 0.000 0.210 489 A C 1.237 178.788 177.584 -0.057 0.000 1.889 489 A CA 0.899 52.914 52.037 -0.037 0.000 1.478 489 A CB -0.508 18.477 19.000 -0.026 0.000 1.432 489 A HN 0.320 nan 8.150 nan 0.000 0.340 490 S N -0.164 115.505 115.700 -0.052 0.000 2.650 490 S HA 0.103 4.573 4.470 -0.000 0.000 0.219 490 S C 0.939 175.492 174.600 -0.077 0.000 0.960 490 S CA 0.549 58.711 58.200 -0.063 0.000 0.925 490 S CB 0.245 63.420 63.200 -0.041 0.000 0.775 490 S HN 0.384 nan 8.310 nan 0.000 0.525 491 Q N 1.122 120.877 119.800 -0.075 0.000 2.194 491 Q HA 0.188 4.528 4.340 -0.000 0.000 0.214 491 Q C 1.342 177.280 176.000 -0.103 0.000 0.838 491 Q CA 0.034 55.789 55.803 -0.079 0.000 0.972 491 Q CB 0.543 29.248 28.738 -0.056 0.000 1.131 491 Q HN 0.882 nan 8.270 nan 0.000 0.498 492 R N -1.169 119.255 120.500 -0.128 0.000 2.427 492 R HA 0.258 4.598 4.340 -0.000 0.000 0.262 492 R C -0.150 175.971 176.300 -0.298 0.000 0.943 492 R CA 0.105 56.118 56.100 -0.145 0.000 1.081 492 R CB 0.624 30.874 30.300 -0.083 0.000 1.166 492 R HN -0.201 nan 8.270 nan 0.000 0.534 493 V N 2.572 122.259 119.914 -0.378 0.000 2.763 493 V HA 0.290 4.410 4.120 -0.000 0.000 0.257 493 V C -0.585 175.278 176.094 -0.385 0.000 0.906 493 V CA -0.636 61.279 62.300 -0.642 0.000 0.894 493 V CB 1.216 32.510 31.823 -0.880 0.000 1.052 493 V HN 0.232 nan 8.190 nan 0.000 0.491 494 I N 2.417 122.825 120.570 -0.269 0.000 2.395 494 I HA 0.319 4.489 4.170 -0.000 0.000 0.289 494 I C 0.558 176.641 176.117 -0.057 0.000 1.023 494 I CA 0.164 61.385 61.300 -0.130 0.000 1.350 494 I CB 1.610 39.554 38.000 -0.093 0.000 1.409 494 I HN 0.368 nan 8.210 nan 0.000 0.507 495 T N 6.008 120.569 114.554 0.012 0.000 2.781 495 T HA 0.300 4.650 4.350 -0.000 0.000 0.305 495 T C -0.710 174.101 174.700 0.186 0.000 1.001 495 T CA -0.165 61.999 62.100 0.107 0.000 0.950 495 T CB 0.008 68.927 68.868 0.085 0.000 0.955 495 T HN 0.229 nan 8.240 nan 0.000 0.471 496 Y N 3.840 124.158 120.300 0.031 0.000 2.487 496 Y HA 0.655 5.205 4.550 -0.000 0.000 0.337 496 Y C -0.586 175.305 175.900 -0.014 0.000 1.076 496 Y CA -2.164 55.871 58.100 -0.109 0.000 1.115 496 Y CB 0.945 39.298 38.460 -0.179 0.000 1.235 496 Y HN 0.594 nan 8.280 nan 0.000 0.468 497 F N -0.154 119.350 119.950 -0.743 0.000 2.497 497 F HA 0.871 5.398 4.527 -0.000 0.000 0.331 497 F C -0.768 174.528 175.800 -0.840 0.000 1.060 497 F CA -1.792 55.706 58.000 -0.837 0.000 0.989 497 F CB 1.096 39.537 39.000 -0.932 0.000 1.245 497 F HN 0.235 nan 8.300 nan 0.000 0.486 498 S N -0.493 114.841 115.700 -0.610 0.000 2.571 498 S HA 0.371 4.841 4.470 -0.000 0.000 0.284 498 S C -1.330 172.848 174.600 -0.703 0.000 1.128 498 S CA -0.670 57.190 58.200 -0.566 0.000 0.970 498 S CB 0.715 63.463 63.200 -0.753 0.000 1.039 498 S HN 0.695 nan 8.310 nan 0.000 0.485 499 H N 1.009 119.923 119.070 -0.260 0.000 2.652 499 H HA 0.363 4.919 4.556 -0.000 0.000 0.349 499 H C -0.841 174.487 175.328 0.001 0.000 1.099 499 H CA 0.299 56.238 56.048 -0.183 0.000 1.417 499 H CB 0.457 30.151 29.762 -0.114 0.000 1.457 499 H HN 0.507 nan 8.280 nan 0.000 0.568 500 F N 2.290 122.270 119.950 0.049 0.000 2.361 500 F HA 0.332 4.859 4.527 -0.000 0.000 0.364 500 F C -0.556 175.252 175.800 0.014 0.000 1.117 500 F CA -0.579 57.475 58.000 0.090 0.000 1.071 500 F CB 0.753 39.831 39.000 0.131 0.000 1.188 500 F HN 0.362 nan 8.300 nan 0.000 0.464 501 S N 5.706 121.134 115.700 -0.452 0.000 2.442 501 S HA 0.152 4.622 4.470 -0.000 0.000 0.297 501 S C 0.761 175.042 174.600 -0.532 0.000 1.131 501 S CA -0.634 57.366 58.200 -0.333 0.000 1.092 501 S CB 1.695 64.787 63.200 -0.179 0.000 0.998 501 S HN 0.892 nan 8.310 nan 0.000 0.478 502 Q N 2.575 122.222 119.800 -0.255 0.000 2.245 502 Q HA 0.128 4.468 4.340 -0.000 0.000 0.201 502 Q C -0.296 175.691 176.000 -0.022 0.000 0.955 502 Q CA 1.047 56.776 55.803 -0.124 0.000 0.870 502 Q CB 0.159 28.933 28.738 0.060 0.000 0.945 502 Q HN 0.708 nan 8.270 nan 0.000 0.461 503 I N 0.460 121.016 120.570 -0.022 0.000 2.465 503 I HA 0.356 4.526 4.170 -0.000 0.000 0.291 503 I C -0.252 175.867 176.117 0.003 0.000 1.014 503 I CA -0.606 60.713 61.300 0.032 0.000 1.093 503 I CB 2.134 40.162 38.000 0.047 0.000 1.267 503 I HN -0.088 nan 8.210 nan 0.000 0.431 504 T N 4.582 119.140 114.554 0.006 0.000 2.681 504 T HA 0.713 5.063 4.350 -0.000 0.000 0.296 504 T C -1.573 173.134 174.700 0.012 0.000 1.157 504 T CA -0.343 61.756 62.100 -0.001 0.000 1.025 504 T CB 1.937 70.781 68.868 -0.041 0.000 1.441 504 T HN 0.221 nan 8.240 nan 0.000 0.504 505 V N 2.024 121.941 119.914 0.007 0.000 2.876 505 V HA 0.528 4.648 4.120 -0.000 0.000 0.312 505 V C 0.255 176.333 176.094 -0.026 0.000 1.085 505 V CA -0.917 61.382 62.300 -0.001 0.000 0.945 505 V CB 1.946 33.787 31.823 0.029 0.000 1.017 505 V HN 1.165 nan 8.190 nan 0.000 0.428 506 T N 1.533 116.047 114.554 -0.066 0.000 2.905 506 T HA 0.084 4.434 4.350 -0.000 0.000 0.299 506 T C 0.478 175.162 174.700 -0.028 0.000 1.024 506 T CA 0.205 62.253 62.100 -0.087 0.000 1.151 506 T CB -0.204 68.523 68.868 -0.236 0.000 0.987 506 T HN 0.882 nan 8.240 nan 0.000 0.535 507 N N -0.911 117.788 118.700 -0.002 0.000 2.815 507 N HA -0.126 4.614 4.740 -0.000 0.000 0.248 507 N C -0.066 175.435 175.510 -0.016 0.000 1.110 507 N CA 0.833 53.885 53.050 0.003 0.000 0.699 507 N CB -1.833 36.657 38.487 0.006 0.000 1.040 507 N HN 1.153 nan 8.380 nan 0.000 0.555 508 A N 0.036 122.851 122.820 -0.007 0.000 2.269 508 A HA 0.819 5.139 4.320 -0.000 0.000 0.319 508 A C 0.806 178.395 177.584 0.010 0.000 1.110 508 A CA 0.293 52.325 52.037 -0.009 0.000 0.847 508 A CB 0.948 19.947 19.000 -0.001 0.000 1.161 508 A HN 0.373 nan 8.150 nan 0.000 0.497 509 T N -1.961 112.600 114.554 0.013 0.000 2.907 509 T HA 0.495 4.845 4.350 -0.000 0.000 0.292 509 T C -0.277 174.452 174.700 0.047 0.000 1.043 509 T CA -0.127 61.992 62.100 0.030 0.000 1.003 509 T CB 1.465 70.346 68.868 0.021 0.000 1.084 509 T HN 0.551 nan 8.240 nan 0.000 0.483 510 D N -0.459 119.983 120.400 0.069 0.000 2.358 510 D HA 0.058 4.698 4.640 -0.000 0.000 0.241 510 D C -0.316 176.039 176.300 0.092 0.000 1.094 510 D CA -0.102 53.953 54.000 0.092 0.000 0.907 510 D CB -0.169 40.705 40.800 0.122 0.000 0.893 510 D HN 0.430 nan 8.370 nan 0.000 0.528 511 D N 1.039 121.480 120.400 0.067 0.000 2.280 511 D HA 0.080 4.720 4.640 -0.000 0.000 0.236 511 D C -1.163 175.169 176.300 0.052 0.000 1.082 511 D CA -1.889 52.149 54.000 0.063 0.000 0.834 511 D CB 2.104 42.931 40.800 0.045 0.000 1.100 511 D HN -0.030 nan 8.370 nan 0.000 0.486 512 P HA -0.274 nan 4.420 nan 0.000 0.217 512 P C 1.281 178.602 177.300 0.035 0.000 1.151 512 P CA 1.556 64.683 63.100 0.045 0.000 0.849 512 P CB -0.054 31.677 31.700 0.051 0.000 0.787 513 T N -0.390 114.184 114.554 0.034 0.000 1.924 513 T HA -0.276 4.074 4.350 -0.000 0.000 0.152 513 T C 1.409 176.118 174.700 0.015 0.000 1.902 513 T CA 2.415 64.529 62.100 0.024 0.000 1.015 513 T CB -1.828 67.052 68.868 0.020 0.000 0.843 513 T HN 0.481 nan 8.240 nan 0.000 0.389 514 S N 0.946 116.644 115.700 -0.003 0.000 2.521 514 S HA 0.586 5.056 4.470 -0.000 0.000 0.278 514 S C 0.934 175.506 174.600 -0.047 0.000 1.140 514 S CA 0.033 58.216 58.200 -0.028 0.000 1.028 514 S CB 0.580 63.745 63.200 -0.057 0.000 1.203 514 S HN 2.265 nan 8.310 nan 0.000 0.491 515 A N -1.188 121.551 122.820 -0.135 0.000 3.044 515 A HA -0.077 4.243 4.320 -0.000 0.000 0.278 515 A C 0.425 177.961 177.584 -0.079 0.000 1.407 515 A CA 0.433 52.356 52.037 -0.189 0.000 0.743 515 A CB -3.032 15.920 19.000 -0.080 0.000 1.040 515 A HN 1.627 nan 8.150 nan 0.000 0.491 516 Y N -2.633 117.667 120.300 0.001 0.000 3.875 516 Y HA -0.219 4.331 4.550 -0.000 0.000 0.216 516 Y C 1.949 177.844 175.900 -0.008 0.000 1.148 516 Y CA 1.423 59.519 58.100 -0.007 0.000 1.629 516 Y CB -1.465 36.989 38.460 -0.010 0.000 1.506 516 Y HN 2.487 nan 8.280 nan 0.000 0.629 517 G N -0.075 108.795 108.800 0.117 0.000 2.143 517 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.249 517 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.249 517 G C -0.291 174.647 174.900 0.063 0.000 0.981 517 G CA 0.144 45.286 45.100 0.071 0.000 0.665 517 G HN 0.394 nan 8.290 nan 0.000 0.528 518 L N 0.504 121.767 121.223 0.066 0.000 2.319 518 L HA 0.605 4.945 4.340 -0.000 0.000 0.281 518 L C 0.880 177.770 176.870 0.033 0.000 1.005 518 L CA -0.846 54.029 54.840 0.058 0.000 0.828 518 L CB 1.477 43.579 42.059 0.071 0.000 1.227 518 L HN 0.103 nan 8.230 nan 0.000 0.415 519 M N 1.651 121.268 119.600 0.029 0.000 2.202 519 M HA 0.281 4.761 4.480 -0.000 0.000 0.316 519 M C 0.701 177.007 176.300 0.010 0.000 1.138 519 M CA 0.078 55.393 55.300 0.024 0.000 1.151 519 M CB 1.476 34.095 32.600 0.031 0.000 1.422 519 M HN 0.732 nan 8.290 nan 0.000 0.471 520 S N 0.403 116.116 115.700 0.023 0.000 2.745 520 S HA 0.517 4.987 4.470 -0.000 0.000 0.292 520 S C -0.549 174.074 174.600 0.038 0.000 1.127 520 S CA -1.123 57.088 58.200 0.018 0.000 1.007 520 S CB 0.945 64.170 63.200 0.042 0.000 1.165 520 S HN 0.656 nan 8.310 nan 0.000 0.544 521 N N 1.047 119.786 118.700 0.065 0.000 2.400 521 N HA 0.308 5.048 4.740 -0.000 0.000 0.288 521 N C -1.011 174.686 175.510 0.312 0.000 1.024 521 N CA -0.277 52.866 53.050 0.156 0.000 0.894 521 N CB 1.479 39.963 38.487 -0.004 0.000 1.173 521 N HN 0.641 nan 8.380 nan 0.000 0.487 522 T N 2.783 117.540 114.554 0.339 0.000 2.708 522 T HA -0.039 4.311 4.350 -0.000 0.000 0.271 522 T C 1.899 176.824 174.700 0.374 0.000 0.985 522 T CA -0.139 62.148 62.100 0.313 0.000 1.229 522 T CB 0.018 69.072 68.868 0.309 0.000 0.934 522 T HN 0.332 nan 8.240 nan 0.000 0.522 523 L N 3.700 125.051 121.223 0.215 0.000 2.302 523 L HA -0.215 4.125 4.340 -0.000 0.000 0.218 523 L C 2.059 178.794 176.870 -0.226 0.000 1.100 523 L CA 1.729 56.578 54.840 0.015 0.000 0.774 523 L CB -0.450 41.592 42.059 -0.029 0.000 0.896 523 L HN 0.718 nan 8.230 nan 0.000 0.439 524 D N -1.742 118.640 120.400 -0.031 0.000 2.392 524 D HA -0.265 4.375 4.640 -0.000 0.000 0.228 524 D C 1.926 178.069 176.300 -0.262 0.000 1.003 524 D CA 0.734 54.671 54.000 -0.105 0.000 0.917 524 D CB -0.934 39.902 40.800 0.060 0.000 0.890 524 D HN 0.543 nan 8.370 nan 0.000 0.532 525 F N 1.109 120.906 119.950 -0.255 0.000 2.307 525 F HA -0.059 4.468 4.527 -0.000 0.000 0.301 525 F C 1.638 177.179 175.800 -0.432 0.000 1.076 525 F CA 1.010 58.661 58.000 -0.582 0.000 1.383 525 F CB -1.636 37.124 39.000 -0.399 0.000 1.055 525 F HN -0.113 nan 8.300 nan 0.000 0.526 526 T N -0.269 113.688 114.554 -0.994 0.000 2.996 526 T HA -0.224 4.126 4.350 -0.000 0.000 0.271 526 T C 1.556 176.109 174.700 -0.245 0.000 1.126 526 T CA 1.438 63.163 62.100 -0.624 0.000 1.103 526 T CB -0.525 68.003 68.868 -0.566 0.000 0.870 526 T HN 0.546 nan 8.240 nan 0.000 0.528 527 Q N 0.252 119.920 119.800 -0.220 0.000 2.364 527 Q HA 0.092 4.432 4.340 -0.000 0.000 0.207 527 Q C 0.425 176.392 176.000 -0.057 0.000 0.970 527 Q CA 0.553 56.289 55.803 -0.111 0.000 0.888 527 Q CB -0.299 28.377 28.738 -0.103 0.000 0.951 527 Q HN 0.549 nan 8.270 nan 0.000 0.469 528 L N 2.214 123.403 121.223 -0.056 0.000 2.389 528 L HA 0.177 4.517 4.340 -0.000 0.000 0.265 528 L C -0.294 176.753 176.870 0.295 0.000 1.167 528 L CA -0.718 54.146 54.840 0.040 0.000 1.045 528 L CB -0.202 41.843 42.059 -0.023 0.000 1.351 528 L HN -0.048 nan 8.230 nan 0.000 0.419 529 D N 1.998 122.574 120.400 0.293 0.000 2.487 529 D HA -0.082 4.558 4.640 -0.000 0.000 0.243 529 D C -0.033 176.631 176.300 0.606 0.000 1.154 529 D CA 0.910 55.136 54.000 0.376 0.000 0.876 529 D CB 0.287 41.316 40.800 0.381 0.000 1.161 529 D HN 0.356 nan 8.370 nan 0.000 0.478 530 W N 1.404 122.780 121.300 0.127 0.000 1.592 530 W HA -0.230 4.430 4.660 -0.000 0.000 0.263 530 W C 0.343 176.813 176.519 -0.081 0.000 1.063 530 W CA 0.105 57.414 57.345 -0.060 0.000 0.435 530 W CB -2.788 26.587 29.460 -0.142 0.000 2.087 530 W HN 0.623 nan 8.180 nan 0.000 1.115 531 H N -0.104 119.074 119.070 0.180 0.000 2.836 531 H HA 0.363 4.919 4.556 -0.000 0.000 0.368 531 H C -2.077 173.258 175.328 0.011 0.000 1.164 531 H CA -1.237 54.845 56.048 0.057 0.000 1.425 531 H CB -0.126 29.671 29.762 0.058 0.000 1.414 531 H HN -0.133 nan 8.280 nan 0.000 0.614 532 P HA -0.052 nan 4.420 nan 0.000 0.268 532 P C 0.230 177.576 177.300 0.075 0.000 1.208 532 P CA -0.215 62.909 63.100 0.040 0.000 0.777 532 P CB 0.446 32.239 31.700 0.155 0.000 0.875 533 I N 3.038 123.591 120.570 -0.028 0.000 2.598 533 I HA 0.030 4.200 4.170 -0.000 0.000 0.284 533 I C 0.769 176.784 176.117 -0.170 0.000 1.140 533 I CA 0.201 61.385 61.300 -0.195 0.000 1.420 533 I CB -1.000 36.776 38.000 -0.373 0.000 1.387 533 I HN 0.243 nan 8.210 nan 0.000 0.553 534 I N 7.565 128.027 120.570 -0.180 0.000 2.331 534 I HA 0.179 4.349 4.170 -0.000 0.000 0.292 534 I C -0.697 175.279 176.117 -0.234 0.000 0.998 534 I CA -0.586 60.625 61.300 -0.148 0.000 1.267 534 I CB 0.557 38.458 38.000 -0.165 0.000 1.386 534 I HN 0.322 nan 8.210 nan 0.000 0.476 535 Y N 5.537 125.809 120.300 -0.045 0.000 2.369 535 Y HA 0.438 4.988 4.550 -0.000 0.000 0.337 535 Y C -0.005 175.873 175.900 -0.037 0.000 0.961 535 Y CA -0.793 57.292 58.100 -0.026 0.000 1.186 535 Y CB 1.313 39.763 38.460 -0.016 0.000 1.139 535 Y HN 0.187 nan 8.280 nan 0.000 0.494 536 V N 3.480 123.442 119.914 0.080 0.000 2.435 536 V HA 0.412 4.532 4.120 -0.000 0.000 0.290 536 V C -0.010 176.099 176.094 0.025 0.000 1.030 536 V CA -0.915 61.401 62.300 0.028 0.000 0.881 536 V CB 1.757 33.572 31.823 -0.013 0.000 0.983 536 V HN 0.840 nan 8.190 nan 0.000 0.445 537 T N 1.835 116.399 114.554 0.017 0.000 2.837 537 T HA 0.671 5.021 4.350 -0.000 0.000 0.285 537 T C -0.491 174.189 174.700 -0.033 0.000 0.984 537 T CA -0.797 61.309 62.100 0.010 0.000 1.049 537 T CB 1.312 70.198 68.868 0.030 0.000 0.947 537 T HN 0.837 nan 8.240 nan 0.000 0.472 538 E N 0.973 121.148 120.200 -0.041 0.000 2.187 538 E HA 0.428 4.778 4.350 -0.000 0.000 0.268 538 E C -0.445 176.162 176.600 0.011 0.000 0.896 538 E CA -1.006 55.346 56.400 -0.079 0.000 0.766 538 E CB 1.497 31.088 29.700 -0.182 0.000 1.142 538 E HN 0.563 nan 8.360 nan 0.000 0.408 539 T N 1.424 116.002 114.554 0.041 0.000 2.930 539 T HA -0.039 4.311 4.350 -0.000 0.000 0.306 539 T C 1.474 176.224 174.700 0.084 0.000 1.045 539 T CA 0.370 62.511 62.100 0.069 0.000 1.134 539 T CB 0.641 69.561 68.868 0.088 0.000 0.961 539 T HN 0.667 nan 8.240 nan 0.000 0.545 540 S N 3.675 119.414 115.700 0.064 0.000 2.444 540 S HA -0.152 4.318 4.470 -0.000 0.000 0.244 540 S C 1.883 176.526 174.600 0.070 0.000 1.025 540 S CA 1.670 59.907 58.200 0.061 0.000 0.995 540 S CB -0.889 62.336 63.200 0.043 0.000 0.781 540 S HN 0.610 nan 8.310 nan 0.000 0.496 541 V N 2.461 122.422 119.914 0.078 0.000 2.223 541 V HA -0.216 3.904 4.120 -0.000 0.000 0.244 541 V C 2.788 178.936 176.094 0.091 0.000 1.045 541 V CA 2.175 64.518 62.300 0.072 0.000 1.000 541 V CB -1.120 30.746 31.823 0.073 0.000 0.635 541 V HN 0.707 nan 8.190 nan 0.000 0.445 542 H N 0.671 119.754 119.070 0.022 0.000 2.457 542 H HA -0.099 4.457 4.556 -0.000 0.000 0.297 542 H C 1.206 176.545 175.328 0.019 0.000 1.092 542 H CA 1.298 57.358 56.048 0.019 0.000 1.309 542 H CB -0.329 29.446 29.762 0.022 0.000 1.382 542 H HN 0.480 nan 8.280 nan 0.000 0.535 543 N N -0.161 118.680 118.700 0.236 0.000 2.518 543 N HA -0.043 4.697 4.740 -0.000 0.000 0.266 543 N C 0.960 176.508 175.510 0.064 0.000 1.196 543 N CA 0.308 53.461 53.050 0.171 0.000 0.947 543 N CB 1.068 39.628 38.487 0.122 0.000 1.098 543 N HN -0.088 nan 8.380 nan 0.000 0.450 544 V N 1.494 121.436 119.914 0.048 0.000 3.510 544 V HA 0.072 4.192 4.120 -0.000 0.000 0.270 544 V C 1.260 177.367 176.094 0.022 0.000 1.201 544 V CA 1.345 63.654 62.300 0.016 0.000 1.166 544 V CB -0.986 30.843 31.823 0.011 0.000 0.825 544 V HN 0.764 nan 8.190 nan 0.000 0.484 545 A N -0.213 122.627 122.820 0.034 0.000 2.564 545 A HA 0.260 4.580 4.320 -0.000 0.000 0.279 545 A C 1.108 178.709 177.584 0.028 0.000 1.232 545 A CA -0.046 52.008 52.037 0.028 0.000 0.950 545 A CB -0.203 18.816 19.000 0.031 0.000 1.138 545 A HN 0.412 nan 8.150 nan 0.000 0.526 546 N N -1.466 117.253 118.700 0.031 0.000 2.707 546 N HA -0.209 4.531 4.740 -0.000 0.000 0.245 546 N C -0.106 175.423 175.510 0.031 0.000 1.103 546 N CA 1.491 54.559 53.050 0.029 0.000 0.882 546 N CB -1.046 37.454 38.487 0.020 0.000 1.160 546 N HN 0.576 nan 8.380 nan 0.000 0.587 547 L N 2.038 123.281 121.223 0.034 0.000 2.313 547 L HA 0.414 4.754 4.340 -0.000 0.000 0.283 547 L C -0.137 176.757 176.870 0.039 0.000 1.013 547 L CA -1.059 53.800 54.840 0.031 0.000 0.816 547 L CB 1.255 43.331 42.059 0.027 0.000 1.236 547 L HN 0.133 nan 8.230 nan 0.000 0.419 548 N N 2.885 121.607 118.700 0.037 0.000 2.525 548 N HA 0.620 5.360 4.740 -0.000 0.000 0.271 548 N C -0.337 175.194 175.510 0.036 0.000 1.194 548 N CA -0.015 53.059 53.050 0.040 0.000 0.964 548 N CB 1.243 39.752 38.487 0.037 0.000 1.126 548 N HN 0.775 nan 8.380 nan 0.000 0.452 549 S N 0.520 116.242 115.700 0.038 0.000 3.287 549 S HA 0.594 5.064 4.470 -0.000 0.000 0.324 549 S C -1.069 173.552 174.600 0.035 0.000 1.205 549 S CA -1.013 57.209 58.200 0.037 0.000 1.020 549 S CB 0.283 63.507 63.200 0.041 0.000 1.398 549 S HN 0.862 nan 8.310 nan 0.000 0.679 550 I N 0.353 120.951 120.570 0.046 0.000 2.686 550 I HA 0.609 4.779 4.170 -0.000 0.000 0.295 550 I C -2.004 174.145 176.117 0.054 0.000 1.114 550 I CA -1.394 59.938 61.300 0.054 0.000 1.038 550 I CB 1.682 39.738 38.000 0.092 0.000 1.238 550 I HN 0.740 nan 8.210 nan 0.000 0.420 551 L N 6.539 127.781 121.223 0.032 0.000 2.343 551 L HA 0.521 4.861 4.340 -0.000 0.000 0.275 551 L C -0.441 176.429 176.870 0.001 0.000 1.056 551 L CA -0.957 53.892 54.840 0.015 0.000 0.804 551 L CB 1.603 43.657 42.059 -0.007 0.000 1.203 551 L HN 0.455 nan 8.230 nan 0.000 0.440 552 I N 1.431 121.983 120.570 -0.031 0.000 2.412 552 I HA 0.509 4.679 4.170 -0.000 0.000 0.296 552 I C 0.474 176.534 176.117 -0.095 0.000 0.987 552 I CA -0.268 60.961 61.300 -0.119 0.000 1.180 552 I CB 1.420 39.347 38.000 -0.122 0.000 1.340 552 I HN 0.592 nan 8.210 nan 0.000 0.455 553 G N 2.666 111.385 108.800 -0.134 0.000 2.590 553 G HA2 0.731 4.691 3.960 -0.000 0.000 0.310 553 G HA3 0.731 4.691 3.960 -0.000 0.000 0.310 553 G C -0.487 174.410 174.900 -0.005 0.000 1.347 553 G CA -0.719 44.378 45.100 -0.005 0.000 0.963 553 G HN 1.034 nan 8.290 nan 0.000 0.494 554 G N 1.066 109.896 108.800 0.050 0.000 2.326 554 G HA2 0.300 4.260 3.960 -0.000 0.000 0.478 554 G HA3 0.300 4.260 3.960 -0.000 0.000 0.478 554 G C -0.898 173.925 174.900 -0.128 0.000 1.551 554 G CA -0.620 44.415 45.100 -0.108 0.000 0.946 554 G HN 0.814 nan 8.290 nan 0.000 0.671 555 D N 0.995 121.300 120.400 -0.158 0.000 2.483 555 D HA 0.164 4.804 4.640 -0.000 0.000 0.261 555 D C 0.985 177.122 176.300 -0.272 0.000 1.318 555 D CA 0.347 54.240 54.000 -0.180 0.000 1.201 555 D CB -0.285 40.402 40.800 -0.188 0.000 1.127 555 D HN 0.457 nan 8.370 nan 0.000 0.519 556 L N 3.265 124.360 121.223 -0.213 0.000 2.395 556 L HA 0.272 4.612 4.340 -0.000 0.000 0.269 556 L C 1.567 178.282 176.870 -0.257 0.000 1.133 556 L CA -0.230 54.480 54.840 -0.217 0.000 0.812 556 L CB 1.164 43.142 42.059 -0.136 0.000 1.125 556 L HN 0.324 nan 8.230 nan 0.000 0.452 557 K N 0.976 121.215 120.400 -0.270 0.000 2.722 557 K HA 0.216 4.536 4.320 -0.000 0.000 0.239 557 K C -0.157 176.364 176.600 -0.132 0.000 1.658 557 K CA -0.643 55.498 56.287 -0.242 0.000 0.908 557 K CB 0.440 32.710 32.500 -0.383 0.000 2.016 557 K HN 0.134 nan 8.250 nan 0.000 0.370 558 R N 2.913 123.351 120.500 -0.103 0.000 2.332 558 R HA 0.286 4.626 4.340 -0.000 0.000 0.306 558 R C -2.775 173.523 176.300 -0.003 0.000 1.117 558 R CA -2.500 53.583 56.100 -0.027 0.000 1.108 558 R CB 0.623 30.933 30.300 0.017 0.000 1.126 558 R HN 0.099 nan 8.270 nan 0.000 0.548 559 P HA 0.485 nan 4.420 nan 0.000 0.284 559 P C -0.876 176.442 177.300 0.030 0.000 1.287 559 P CA -0.399 62.706 63.100 0.007 0.000 0.824 559 P CB 2.074 33.764 31.700 -0.016 0.000 1.180 560 T N -1.680 112.900 114.554 0.043 0.000 2.722 560 T HA 0.388 4.738 4.350 -0.000 0.000 0.314 560 T C -1.931 172.804 174.700 0.059 0.000 1.675 560 T CA -0.388 61.741 62.100 0.049 0.000 1.003 560 T CB 0.540 69.440 68.868 0.054 0.000 1.602 560 T HN 0.108 nan 8.240 nan 0.000 0.496 561 V N 3.120 123.067 119.914 0.055 0.000 2.604 561 V HA 0.678 4.798 4.120 -0.000 0.000 0.305 561 V C -0.197 175.928 176.094 0.051 0.000 1.043 561 V CA -0.844 61.492 62.300 0.060 0.000 0.888 561 V CB 1.501 33.357 31.823 0.055 0.000 0.995 561 V HN 0.799 nan 8.190 nan 0.000 0.429 562 I N 0.884 121.485 120.570 0.052 0.000 2.562 562 I HA 0.632 4.802 4.170 -0.000 0.000 0.301 562 I C 0.206 176.340 176.117 0.028 0.000 1.003 562 I CA -0.498 60.827 61.300 0.041 0.000 1.127 562 I CB 1.833 39.860 38.000 0.046 0.000 1.304 562 I HN 0.438 nan 8.210 nan 0.000 0.446 563 T N 2.553 117.121 114.554 0.023 0.000 2.910 563 T HA 0.106 4.456 4.350 -0.000 0.000 0.293 563 T C 1.359 176.064 174.700 0.009 0.000 1.015 563 T CA -0.365 61.744 62.100 0.014 0.000 1.094 563 T CB 1.454 70.331 68.868 0.015 0.000 0.968 563 T HN 0.727 nan 8.240 nan 0.000 0.521 564 T N 2.255 116.809 114.554 0.000 0.000 2.597 564 T HA -0.188 4.162 4.350 -0.000 0.000 0.267 564 T C 1.666 176.369 174.700 0.004 0.000 1.053 564 T CA 1.703 63.800 62.100 -0.006 0.000 1.165 564 T CB -0.340 68.522 68.868 -0.010 0.000 0.863 564 T HN 0.631 nan 8.240 nan 0.000 0.427 565 D N 0.517 120.922 120.400 0.008 0.000 2.117 565 D HA -0.066 4.574 4.640 -0.000 0.000 0.197 565 D C 2.267 178.577 176.300 0.016 0.000 0.987 565 D CA 0.895 54.902 54.000 0.012 0.000 0.829 565 D CB -0.345 40.462 40.800 0.012 0.000 0.961 565 D HN 0.219 nan 8.370 nan 0.000 0.460 566 V N 1.226 121.150 119.914 0.017 0.000 2.490 566 V HA -0.191 3.929 4.120 -0.000 0.000 0.250 566 V C 2.618 178.727 176.094 0.025 0.000 1.061 566 V CA 0.940 63.252 62.300 0.021 0.000 1.064 566 V CB -0.257 31.580 31.823 0.022 0.000 0.670 566 V HN 0.046 nan 8.190 nan 0.000 0.461 567 V N -0.376 119.553 119.914 0.024 0.000 2.283 567 V HA -0.223 3.897 4.120 -0.000 0.000 0.243 567 V C 2.404 178.518 176.094 0.032 0.000 1.039 567 V CA 1.881 64.198 62.300 0.029 0.000 1.016 567 V CB -0.646 31.191 31.823 0.024 0.000 0.650 567 V HN 0.522 nan 8.190 nan 0.000 0.449 568 K N 0.041 120.458 120.400 0.028 0.000 2.015 568 K HA -0.286 4.034 4.320 -0.000 0.000 0.216 568 K C 2.368 178.991 176.600 0.038 0.000 1.052 568 K CA 2.074 58.381 56.287 0.033 0.000 0.937 568 K CB -0.382 32.135 32.500 0.027 0.000 0.719 568 K HN 0.236 nan 8.250 nan 0.000 0.446 569 R N 0.847 121.366 120.500 0.032 0.000 2.133 569 R HA -0.140 4.200 4.340 -0.000 0.000 0.247 569 R C 2.288 178.611 176.300 0.039 0.000 1.151 569 R CA 1.376 57.495 56.100 0.032 0.000 0.971 569 R CB -0.184 30.131 30.300 0.025 0.000 0.866 569 R HN 0.252 nan 8.270 nan 0.000 0.447 570 I N 0.644 121.238 120.570 0.040 0.000 2.233 570 I HA -0.261 3.909 4.170 -0.000 0.000 0.243 570 I C 1.541 177.692 176.117 0.056 0.000 1.093 570 I CA 1.054 62.380 61.300 0.043 0.000 1.380 570 I CB -0.382 37.642 38.000 0.039 0.000 1.067 570 I HN 0.262 nan 8.210 nan 0.000 0.413 571 N N 0.673 119.409 118.700 0.060 0.000 2.142 571 N HA -0.132 4.608 4.740 -0.000 0.000 0.186 571 N C 1.937 177.504 175.510 0.094 0.000 1.023 571 N CA 1.181 54.276 53.050 0.075 0.000 0.852 571 N CB -0.483 38.049 38.487 0.075 0.000 0.998 571 N HN 0.150 nan 8.380 nan 0.000 0.424 572 S N 0.827 116.575 115.700 0.080 0.000 2.392 572 S HA -0.156 4.314 4.470 -0.000 0.000 0.232 572 S C 1.979 176.648 174.600 0.114 0.000 1.041 572 S CA 1.432 59.679 58.200 0.078 0.000 1.026 572 S CB -0.192 63.036 63.200 0.047 0.000 0.845 572 S HN 0.557 nan 8.310 nan 0.000 0.465 573 A N 1.229 124.118 122.820 0.114 0.000 1.850 573 A HA 0.387 4.707 4.320 -0.000 0.000 0.212 573 A C 2.378 180.058 177.584 0.160 0.000 1.208 573 A CA 1.324 53.454 52.037 0.155 0.000 0.609 573 A CB -1.383 17.673 19.000 0.094 0.000 0.860 573 A HN 0.493 nan 8.150 nan 0.000 0.448 574 A N 0.859 123.740 122.820 0.102 0.000 1.881 574 A HA -0.322 3.998 4.320 -0.000 0.000 0.219 574 A C 1.956 179.611 177.584 0.120 0.000 1.215 574 A CA 2.255 54.339 52.037 0.078 0.000 0.648 574 A CB -0.984 18.050 19.000 0.058 0.000 0.832 574 A HN 0.590 nan 8.150 nan 0.000 0.455 575 N N -1.614 117.186 118.700 0.167 0.000 2.084 575 N HA -0.189 4.551 4.740 -0.000 0.000 0.190 575 N C 1.674 177.407 175.510 0.372 0.000 1.030 575 N CA 1.788 54.986 53.050 0.247 0.000 0.849 575 N CB -0.678 37.942 38.487 0.220 0.000 1.012 575 N HN 0.637 nan 8.380 nan 0.000 0.423 576 Y N 2.072 122.479 120.300 0.179 0.000 2.114 576 Y HA -0.195 4.355 4.550 -0.000 0.000 0.282 576 Y C 2.357 178.399 175.900 0.237 0.000 1.165 576 Y CA 1.278 59.505 58.100 0.212 0.000 1.148 576 Y CB -0.873 37.677 38.460 0.149 0.000 0.972 576 Y HN 0.085 nan 8.280 nan 0.000 0.504 577 A N 0.381 123.258 122.820 0.095 0.000 1.917 577 A HA -0.212 4.108 4.320 -0.000 0.000 0.219 577 A C 2.492 180.076 177.584 -0.000 0.000 1.182 577 A CA 1.944 53.933 52.037 -0.079 0.000 0.633 577 A CB -1.264 17.687 19.000 -0.081 0.000 0.819 577 A HN 0.560 nan 8.150 nan 0.000 0.448 578 L N -2.243 119.007 121.223 0.046 0.000 2.013 578 L HA -0.228 4.112 4.340 -0.000 0.000 0.212 578 L C 1.925 178.699 176.870 -0.160 0.000 1.073 578 L CA 1.522 56.302 54.840 -0.100 0.000 0.753 578 L CB -0.495 41.460 42.059 -0.174 0.000 0.890 578 L HN 0.559 nan 8.230 nan 0.000 0.432 579 Y N -2.725 117.683 120.300 0.180 0.000 2.495 579 Y HA 0.071 4.621 4.550 -0.000 0.000 0.293 579 Y C 0.169 176.134 175.900 0.107 0.000 1.186 579 Y CA -0.942 57.328 58.100 0.283 0.000 1.266 579 Y CB -0.724 37.991 38.460 0.425 0.000 1.101 579 Y HN 0.028 nan 8.280 nan 0.000 0.517 580 Y N 1.264 121.550 120.300 -0.024 0.000 2.436 580 Y HA 0.115 4.665 4.550 -0.000 0.000 0.336 580 Y C 1.390 177.267 175.900 -0.038 0.000 1.049 580 Y CA -0.146 57.879 58.100 -0.125 0.000 1.294 580 Y CB 0.864 39.142 38.460 -0.305 0.000 1.179 580 Y HN 0.181 nan 8.280 nan 0.000 0.520 581 S N 3.884 119.373 115.700 -0.352 0.000 2.591 581 S HA 0.087 4.557 4.470 -0.000 0.000 0.235 581 S C 2.170 176.491 174.600 -0.464 0.000 1.074 581 S CA 0.170 58.213 58.200 -0.262 0.000 0.925 581 S CB -0.646 62.417 63.200 -0.227 0.000 0.818 581 S HN 0.842 nan 8.310 nan 0.000 0.535 582 A N 3.260 125.690 122.820 -0.649 0.000 2.000 582 A HA -0.373 3.947 4.320 -0.000 0.000 0.235 582 A C 1.647 179.090 177.584 -0.235 0.000 1.669 582 A CA 2.397 54.175 52.037 -0.433 0.000 0.728 582 A CB -1.962 16.748 19.000 -0.483 0.000 0.836 582 A HN 0.754 nan 8.150 nan 0.000 0.534 583 N N -0.458 118.174 118.700 -0.112 0.000 2.724 583 N HA 0.037 4.777 4.740 -0.000 0.000 0.198 583 N C 0.227 175.637 175.510 -0.166 0.000 1.301 583 N CA 0.732 53.755 53.050 -0.044 0.000 0.942 583 N CB -0.146 38.378 38.487 0.062 0.000 1.033 583 N HN 0.632 nan 8.380 nan 0.000 0.447 584 L N -3.585 117.454 121.223 -0.306 0.000 3.358 584 L HA 0.373 4.713 4.340 -0.000 0.000 0.301 584 L C 0.365 176.977 176.870 -0.429 0.000 1.276 584 L CA 0.231 54.805 54.840 -0.442 0.000 1.028 584 L CB -0.098 41.512 42.059 -0.750 0.000 1.421 584 L HN -0.115 nan 8.230 nan 0.000 0.604 585 L N -0.208 120.867 121.223 -0.248 0.000 2.701 585 L HA 0.313 4.653 4.340 -0.000 0.000 0.238 585 L C 2.025 178.850 176.870 -0.075 0.000 1.106 585 L CA 1.279 56.036 54.840 -0.138 0.000 0.898 585 L CB 0.355 42.349 42.059 -0.107 0.000 1.188 585 L HN 0.415 nan 8.230 nan 0.000 0.508 586 S N -1.483 114.171 115.700 -0.077 0.000 2.575 586 S HA 0.287 4.757 4.470 -0.000 0.000 0.215 586 S C 0.374 174.945 174.600 -0.048 0.000 0.966 586 S CA -0.374 57.797 58.200 -0.048 0.000 0.911 586 S CB -0.176 63.002 63.200 -0.036 0.000 0.780 586 S HN 0.282 nan 8.310 nan 0.000 0.514 587 N N 0.849 119.509 118.700 -0.066 0.000 2.369 587 N HA 0.402 5.142 4.740 -0.000 0.000 0.287 587 N C -1.846 173.625 175.510 -0.065 0.000 1.067 587 N CA -0.374 52.641 53.050 -0.059 0.000 0.888 587 N CB 2.181 40.630 38.487 -0.063 0.000 1.616 587 N HN 0.218 nan 8.380 nan 0.000 0.482 588 I N 1.267 121.817 120.570 -0.032 0.000 2.498 588 I HA 0.446 4.616 4.170 -0.000 0.000 0.301 588 I C -0.011 176.093 176.117 -0.021 0.000 0.984 588 I CA -0.267 61.032 61.300 -0.002 0.000 1.204 588 I CB 1.075 39.079 38.000 0.006 0.000 1.362 588 I HN 0.628 nan 8.210 nan 0.000 0.471 589 S N 3.349 119.042 115.700 -0.011 0.000 2.599 589 S HA 0.640 5.110 4.470 -0.000 0.000 0.294 589 S C -0.116 174.460 174.600 -0.040 0.000 1.094 589 S CA -0.003 58.180 58.200 -0.029 0.000 0.931 589 S CB 1.449 64.626 63.200 -0.039 0.000 1.093 589 S HN 0.998 nan 8.310 nan 0.000 0.488 590 T N 0.000 114.531 114.554 -0.039 0.000 3.816 590 T HA 0.000 4.350 4.350 -0.000 0.000 0.228 590 T CA 0.000 62.073 62.100 -0.044 0.000 1.349 590 T CB 0.000 68.840 68.868 -0.047 0.000 0.612 590 T HN 0.000 nan 8.240 nan 0.000 0.658