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 2qfx_1_F DATA FIRST_RESID 2 DATA SEQUENCE FSKIKVKQPV VELDGDEMTR IIWDKIKKKL ILPYLDVDLK YYDLSVESRD DATA SEQUENCE ATSDKITQDA AEAIKKYGVG IKCATITPDE ARVKEFNLHK MWKSPNGTIR DATA SEQUENCE NILGGTVFRE PIVIPRIPRL VPRWEKPIII GRHAHGDQYK ATDTLIPGPG DATA SEQUENCE SLELVYKPSD PTTAQPQTLK VYDYKGSGVA MAMYNTDESI EGFAHSSFKL DATA SEQUENCE AIDKKLNLFL STKNTILKKY DGRFKDIFQE VYEAQYKSKF EQLGIHYEHR DATA SEQUENCE LIDDMVAQMI KSKGGFIMAL KNYDGDVQSD IVAQGFGSLG LMTSILVTPD DATA SEQUENCE GKTFESEAAH GTVTRHYRKY QKGEETSTNS IASIFAWSRG LLKRGELDNT DATA SEQUENCE PALCKFANIL ESATLNTVQQ DGIMTKDLAL ACGNNERSAY VTTEEFLDAV DATA SEQUENCE EKRLQKEIKS 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 2 F HA 0.000 nan 4.527 nan 0.000 0.279 2 F C 0.000 175.785 175.800 -0.025 0.000 0.967 2 F CA 0.000 57.984 58.000 -0.026 0.000 1.383 2 F CB 0.000 38.992 39.000 -0.014 0.000 1.145 3 S N 1.248 117.127 115.700 0.298 0.000 2.720 3 S HA 0.467 4.937 4.470 -0.000 0.000 0.278 3 S C -1.328 173.310 174.600 0.064 0.000 1.172 3 S CA -0.688 57.541 58.200 0.048 0.000 1.019 3 S CB 2.185 65.326 63.200 -0.098 0.000 1.049 3 S HN 0.289 nan 8.310 nan 0.000 0.483 4 K N 2.783 123.184 120.400 0.002 0.000 2.205 4 K HA 0.446 4.766 4.320 -0.000 0.000 0.279 4 K C -0.291 176.287 176.600 -0.037 0.000 1.027 4 K CA -0.538 55.732 56.287 -0.029 0.000 0.932 4 K CB 0.986 33.449 32.500 -0.062 0.000 1.032 4 K HN 0.646 nan 8.250 nan 0.000 0.466 5 I N 3.363 123.897 120.570 -0.059 0.000 2.533 5 I HA 0.012 4.182 4.170 -0.000 0.000 0.284 5 I C 0.421 176.506 176.117 -0.054 0.000 1.109 5 I CA 0.051 61.319 61.300 -0.053 0.000 1.412 5 I CB 0.301 38.254 38.000 -0.077 0.000 1.396 5 I HN 0.287 nan 8.210 nan 0.000 0.543 6 K N 5.819 126.202 120.400 -0.028 0.000 2.284 6 K HA 0.326 4.646 4.320 -0.000 0.000 0.287 6 K C -0.780 175.818 176.600 -0.004 0.000 1.081 6 K CA -0.508 55.768 56.287 -0.018 0.000 0.910 6 K CB 1.304 33.798 32.500 -0.010 0.000 1.088 6 K HN 0.362 nan 8.250 nan 0.000 0.478 7 V N 5.053 124.967 119.914 -0.000 0.000 2.439 7 V HA -0.025 4.095 4.120 -0.000 0.000 0.271 7 V C 1.649 177.762 176.094 0.032 0.000 1.040 7 V CA 0.073 62.386 62.300 0.020 0.000 1.002 7 V CB 0.734 32.575 31.823 0.030 0.000 1.000 7 V HN 0.798 nan 8.190 nan 0.000 0.477 8 K N 3.724 124.145 120.400 0.036 0.000 1.975 8 K HA -0.155 4.165 4.320 -0.000 0.000 0.225 8 K C 0.873 177.510 176.600 0.061 0.000 1.050 8 K CA 1.386 57.699 56.287 0.043 0.000 0.992 8 K CB 0.074 32.599 32.500 0.042 0.000 0.738 8 K HN 0.604 nan 8.250 nan 0.000 0.446 9 Q N 1.049 120.896 119.800 0.077 0.000 2.259 9 Q HA 0.256 4.595 4.340 -0.000 0.000 0.246 9 Q C -2.293 173.776 176.000 0.115 0.000 0.920 9 Q CA -2.209 53.663 55.803 0.115 0.000 0.895 9 Q CB 1.262 30.081 28.738 0.134 0.000 1.220 9 Q HN 0.335 nan 8.270 nan 0.000 0.439 10 P HA 0.072 nan 4.420 nan 0.000 0.271 10 P C -0.582 176.732 177.300 0.023 0.000 1.218 10 P CA -0.072 63.056 63.100 0.048 0.000 0.780 10 P CB 0.739 32.421 31.700 -0.030 0.000 0.901 11 V N 3.370 123.292 119.914 0.014 0.000 2.483 11 V HA 0.198 4.318 4.120 -0.000 0.000 0.295 11 V C 0.479 176.573 176.094 -0.001 0.000 1.035 11 V CA -0.818 61.497 62.300 0.026 0.000 0.896 11 V CB 2.026 33.887 31.823 0.064 0.000 0.986 11 V HN 0.269 nan 8.190 nan 0.000 0.447 12 V N 4.243 124.156 119.914 -0.002 0.000 2.406 12 V HA 0.343 4.462 4.120 -0.000 0.000 0.272 12 V C 0.172 176.295 176.094 0.049 0.000 1.043 12 V CA -0.263 62.057 62.300 0.033 0.000 0.915 12 V CB 1.258 33.084 31.823 0.005 0.000 0.988 12 V HN 0.976 nan 8.190 nan 0.000 0.466 13 E N 5.890 126.174 120.200 0.139 0.000 2.187 13 E HA 0.546 4.896 4.350 -0.000 0.000 0.268 13 E C -1.544 175.114 176.600 0.096 0.000 0.896 13 E CA -0.729 55.775 56.400 0.173 0.000 0.766 13 E CB 1.531 31.468 29.700 0.395 0.000 1.142 13 E HN 0.639 nan 8.360 nan 0.000 0.408 14 L N 4.069 125.268 121.223 -0.040 0.000 2.318 14 L HA 0.381 4.721 4.340 -0.000 0.000 0.277 14 L C 0.077 176.663 176.870 -0.473 0.000 1.008 14 L CA -1.014 53.687 54.840 -0.231 0.000 0.846 14 L CB 1.125 43.042 42.059 -0.235 0.000 1.220 14 L HN 0.574 nan 8.230 nan 0.000 0.423 15 D N 1.669 121.770 120.400 -0.499 0.000 2.357 15 D HA 0.453 5.093 4.640 -0.000 0.000 0.242 15 D C 0.241 176.240 176.300 -0.501 0.000 1.153 15 D CA 0.353 54.015 54.000 -0.564 0.000 0.918 15 D CB 2.207 42.870 40.800 -0.227 0.000 1.181 15 D HN 0.660 nan 8.370 nan 0.000 0.435 16 G N 0.955 109.468 108.800 -0.478 0.000 3.259 16 G HA2 0.343 4.302 3.960 -0.000 0.000 0.178 16 G HA3 0.343 4.302 3.960 -0.000 0.000 0.178 16 G C -0.844 173.930 174.900 -0.210 0.000 1.129 16 G CA -0.341 44.559 45.100 -0.332 0.000 0.816 16 G HN 0.475 nan 8.290 nan 0.000 0.634 17 D N -0.309 119.975 120.400 -0.193 0.000 2.467 17 D HA 0.387 5.027 4.640 -0.000 0.000 0.245 17 D C 0.273 176.440 176.300 -0.222 0.000 1.038 17 D CA -0.250 53.637 54.000 -0.189 0.000 1.038 17 D CB 1.938 42.608 40.800 -0.217 0.000 1.278 17 D HN 0.593 nan 8.370 nan 0.000 0.564 18 E N -0.473 119.487 120.200 -0.399 0.000 3.574 18 E HA -0.358 3.991 4.350 -0.000 0.000 0.379 18 E C 1.172 177.564 176.600 -0.347 0.000 1.582 18 E CA 1.185 57.061 56.400 -0.874 0.000 1.849 18 E CB -0.702 28.487 29.700 -0.853 0.000 1.717 18 E HN 0.357 nan 8.360 nan 0.000 0.433 19 M N 1.144 120.679 119.600 -0.109 0.000 2.195 19 M HA -0.134 4.346 4.480 -0.000 0.000 0.260 19 M C 2.282 178.622 176.300 0.065 0.000 1.066 19 M CA 2.813 58.169 55.300 0.093 0.000 1.089 19 M CB -0.549 32.142 32.600 0.152 0.000 1.377 19 M HN 0.582 nan 8.290 nan 0.000 0.411 20 T N -2.804 111.783 114.554 0.055 0.000 3.055 20 T HA -0.040 4.310 4.350 -0.000 0.000 0.265 20 T C 1.885 176.689 174.700 0.172 0.000 1.111 20 T CA 1.019 63.206 62.100 0.144 0.000 1.118 20 T CB -0.468 68.495 68.868 0.157 0.000 0.909 20 T HN 0.564 nan 8.240 nan 0.000 0.501 21 R N 0.847 121.393 120.500 0.077 0.000 2.073 21 R HA 0.134 4.474 4.340 -0.000 0.000 0.229 21 R C 2.275 178.697 176.300 0.203 0.000 1.120 21 R CA 0.929 57.101 56.100 0.121 0.000 0.967 21 R CB -0.464 29.859 30.300 0.039 0.000 0.862 21 R HN 0.421 nan 8.270 nan 0.000 0.436 22 I N 0.859 121.500 120.570 0.118 0.000 2.099 22 I HA -0.334 3.836 4.170 -0.000 0.000 0.239 22 I C 2.338 178.543 176.117 0.148 0.000 1.066 22 I CA 1.573 62.925 61.300 0.086 0.000 1.324 22 I CB -0.263 37.691 38.000 -0.077 0.000 1.037 22 I HN 0.239 nan 8.210 nan 0.000 0.401 23 I N -0.311 120.363 120.570 0.173 0.000 2.208 23 I HA -0.350 3.820 4.170 -0.000 0.000 0.245 23 I C 2.474 178.753 176.117 0.271 0.000 1.097 23 I CA 1.450 62.875 61.300 0.208 0.000 1.363 23 I CB -0.455 37.684 38.000 0.231 0.000 1.051 23 I HN 0.538 nan 8.210 nan 0.000 0.413 24 W N 2.186 123.575 121.300 0.149 0.000 2.338 24 W HA -0.294 4.366 4.660 -0.000 0.000 0.304 24 W C 2.111 178.712 176.519 0.137 0.000 1.212 24 W CA 2.302 59.775 57.345 0.214 0.000 1.264 24 W CB -0.292 29.319 29.460 0.252 0.000 1.142 24 W HN 0.232 nan 8.180 nan 0.000 0.512 25 D N -0.054 120.532 120.400 0.311 0.000 2.117 25 D HA -0.178 4.461 4.640 -0.000 0.000 0.198 25 D C 2.201 178.502 176.300 0.002 0.000 0.982 25 D CA 1.948 56.037 54.000 0.149 0.000 0.828 25 D CB -0.097 40.809 40.800 0.176 0.000 0.967 25 D HN 0.052 nan 8.370 nan 0.000 0.464 26 K N -0.018 120.399 120.400 0.028 0.000 2.057 26 K HA -0.087 4.233 4.320 -0.000 0.000 0.207 26 K C 2.335 178.879 176.600 -0.093 0.000 1.049 26 K CA 0.793 57.074 56.287 -0.010 0.000 0.931 26 K CB -0.115 32.408 32.500 0.039 0.000 0.714 26 K HN 0.278 nan 8.250 nan 0.000 0.440 27 I N 2.232 122.719 120.570 -0.139 0.000 2.091 27 I HA -0.361 3.809 4.170 -0.000 0.000 0.239 27 I C 2.537 178.369 176.117 -0.476 0.000 1.061 27 I CA 1.738 62.864 61.300 -0.290 0.000 1.317 27 I CB -0.358 37.416 38.000 -0.377 0.000 1.031 27 I HN 0.241 nan 8.210 nan 0.000 0.401 28 K N 0.554 120.557 120.400 -0.663 0.000 2.365 28 K HA -0.133 4.187 4.320 -0.000 0.000 0.199 28 K C 1.970 178.370 176.600 -0.334 0.000 1.045 28 K CA 0.958 56.831 56.287 -0.690 0.000 0.962 28 K CB 0.014 32.008 32.500 -0.844 0.000 0.759 28 K HN 0.030 nan 8.250 nan 0.000 0.469 29 K N 1.529 121.801 120.400 -0.215 0.000 1.991 29 K HA 0.007 4.327 4.320 -0.000 0.000 0.207 29 K C 1.732 178.263 176.600 -0.115 0.000 1.045 29 K CA 1.683 57.892 56.287 -0.131 0.000 0.937 29 K CB 0.104 32.557 32.500 -0.077 0.000 0.720 29 K HN 0.180 nan 8.250 nan 0.000 0.438 30 K N -0.213 120.133 120.400 -0.091 0.000 2.137 30 K HA 0.116 4.436 4.320 -0.000 0.000 0.202 30 K C 1.803 178.430 176.600 0.046 0.000 1.052 30 K CA 0.887 57.150 56.287 -0.039 0.000 0.961 30 K CB 0.147 32.632 32.500 -0.025 0.000 0.741 30 K HN 0.033 nan 8.250 nan 0.000 0.452 31 L N 0.432 121.656 121.223 0.002 0.000 2.513 31 L HA 0.122 4.462 4.340 -0.000 0.000 0.222 31 L C 1.658 178.646 176.870 0.197 0.000 1.096 31 L CA 0.018 54.921 54.840 0.106 0.000 0.857 31 L CB -0.008 42.023 42.059 -0.047 0.000 1.026 31 L HN 0.090 nan 8.230 nan 0.000 0.469 32 I N -0.637 119.925 120.570 -0.014 0.000 3.393 32 I HA -0.014 4.156 4.170 -0.000 0.000 0.250 32 I C 2.258 178.334 176.117 -0.068 0.000 1.122 32 I CA 0.615 61.890 61.300 -0.041 0.000 1.484 32 I CB -0.791 36.996 38.000 -0.356 0.000 1.468 32 I HN 0.088 nan 8.210 nan 0.000 0.461 33 L N 1.426 122.563 121.223 -0.145 0.000 2.079 33 L HA -0.151 4.189 4.340 -0.000 0.000 0.210 33 L C -0.308 176.448 176.870 -0.189 0.000 1.081 33 L CA 1.797 56.551 54.840 -0.143 0.000 0.752 33 L CB -1.938 40.039 42.059 -0.137 0.000 0.896 33 L HN 0.174 nan 8.230 nan 0.000 0.433 34 P HA -0.181 nan 4.420 nan 0.000 0.216 34 P C 0.827 177.751 177.300 -0.626 0.000 1.150 34 P CA 1.607 64.409 63.100 -0.496 0.000 0.837 34 P CB -0.004 31.269 31.700 -0.711 0.000 0.786 35 Y N -2.259 117.935 120.300 -0.178 0.000 2.507 35 Y HA 0.249 4.799 4.550 -0.000 0.000 0.263 35 Y C 1.179 176.857 175.900 -0.370 0.000 1.093 35 Y CA -0.184 57.752 58.100 -0.272 0.000 1.285 35 Y CB -0.183 38.046 38.460 -0.385 0.000 1.115 35 Y HN -0.195 nan 8.280 nan 0.000 0.533 36 L N 0.298 121.388 121.223 -0.222 0.000 2.333 36 L HA 0.394 4.734 4.340 -0.000 0.000 0.269 36 L C -0.904 175.897 176.870 -0.115 0.000 1.010 36 L CA -0.934 53.783 54.840 -0.206 0.000 0.818 36 L CB 1.639 43.560 42.059 -0.231 0.000 1.306 36 L HN -0.142 nan 8.230 nan 0.000 0.430 37 D N 2.083 122.434 120.400 -0.081 0.000 2.514 37 D HA 0.348 4.988 4.640 -0.000 0.000 0.267 37 D C -0.797 175.488 176.300 -0.025 0.000 1.165 37 D CA -0.345 53.625 54.000 -0.049 0.000 0.958 37 D CB 0.725 41.501 40.800 -0.041 0.000 0.992 37 D HN 0.254 nan 8.370 nan 0.000 0.506 38 V N 0.378 120.285 119.914 -0.013 0.000 2.547 38 V HA 0.561 4.681 4.120 -0.000 0.000 0.299 38 V C 0.003 176.116 176.094 0.032 0.000 1.040 38 V CA -0.983 61.330 62.300 0.022 0.000 0.913 38 V CB 1.840 33.696 31.823 0.056 0.000 0.992 38 V HN 0.188 nan 8.190 nan 0.000 0.449 39 D N 4.109 124.531 120.400 0.037 0.000 2.468 39 D HA 0.320 4.960 4.640 -0.000 0.000 0.218 39 D C -0.203 176.118 176.300 0.034 0.000 1.155 39 D CA -0.100 53.917 54.000 0.028 0.000 0.924 39 D CB 0.308 41.123 40.800 0.025 0.000 1.029 39 D HN 0.669 nan 8.370 nan 0.000 0.515 40 L N 4.283 125.544 121.223 0.063 0.000 2.325 40 L HA 0.205 4.545 4.340 -0.000 0.000 0.284 40 L C 0.820 177.738 176.870 0.080 0.000 1.089 40 L CA -0.423 54.483 54.840 0.110 0.000 0.836 40 L CB 0.553 42.731 42.059 0.199 0.000 1.184 40 L HN 0.048 nan 8.230 nan 0.000 0.444 41 K N 4.518 124.938 120.400 0.033 0.000 2.127 41 K HA 0.089 4.409 4.320 -0.000 0.000 0.261 41 K C -0.547 176.094 176.600 0.068 0.000 1.129 41 K CA -0.307 55.972 56.287 -0.013 0.000 0.993 41 K CB -0.097 32.351 32.500 -0.088 0.000 1.410 41 K HN 0.279 nan 8.250 nan 0.000 0.380 42 Y N 2.276 122.512 120.300 -0.106 0.000 2.465 42 Y HA -0.025 4.525 4.550 -0.000 0.000 0.331 42 Y C -0.782 174.929 175.900 -0.316 0.000 1.102 42 Y CA 0.257 58.317 58.100 -0.066 0.000 1.358 42 Y CB 0.328 38.775 38.460 -0.022 0.000 1.213 42 Y HN 0.341 nan 8.280 nan 0.000 0.525 43 Y N 4.641 124.673 120.300 -0.446 0.000 2.327 43 Y HA 0.185 4.735 4.550 -0.000 0.000 0.325 43 Y C -0.449 175.045 175.900 -0.677 0.000 0.999 43 Y CA -1.333 56.534 58.100 -0.389 0.000 1.195 43 Y CB 0.986 39.307 38.460 -0.233 0.000 1.132 43 Y HN 0.541 nan 8.280 nan 0.000 0.455 44 D N 4.090 124.188 120.400 -0.503 0.000 2.312 44 D HA 0.251 4.891 4.640 -0.000 0.000 0.252 44 D C -0.231 175.935 176.300 -0.223 0.000 1.150 44 D CA 0.232 53.987 54.000 -0.409 0.000 0.870 44 D CB 1.028 41.783 40.800 -0.076 0.000 1.153 44 D HN 0.635 nan 8.370 nan 0.000 0.457 45 L N 3.307 124.384 121.223 -0.243 0.000 3.168 45 L HA 0.124 4.464 4.340 -0.000 0.000 0.277 45 L C 0.759 177.502 176.870 -0.212 0.000 1.308 45 L CA -0.421 54.291 54.840 -0.214 0.000 0.976 45 L CB 0.149 42.072 42.059 -0.226 0.000 1.383 45 L HN 0.263 nan 8.230 nan 0.000 0.572 46 S N -1.143 114.450 115.700 -0.179 0.000 2.634 46 S HA 0.248 4.718 4.470 -0.000 0.000 0.261 46 S C 1.570 176.040 174.600 -0.217 0.000 1.271 46 S CA -0.552 57.541 58.200 -0.177 0.000 0.985 46 S CB 1.532 64.670 63.200 -0.103 0.000 0.968 46 S HN 0.070 nan 8.310 nan 0.000 0.568 47 V N 0.069 119.809 119.914 -0.290 0.000 2.255 47 V HA -0.178 3.941 4.120 -0.000 0.000 0.247 47 V C 2.385 178.342 176.094 -0.227 0.000 1.051 47 V CA 2.119 64.216 62.300 -0.338 0.000 1.018 47 V CB -1.873 29.564 31.823 -0.644 0.000 0.641 47 V HN 0.858 nan 8.190 nan 0.000 0.445 48 E N 1.308 121.424 120.200 -0.140 0.000 2.114 48 E HA -0.232 4.118 4.350 -0.000 0.000 0.199 48 E C 2.433 178.996 176.600 -0.062 0.000 1.008 48 E CA 1.961 58.347 56.400 -0.023 0.000 0.810 48 E CB -0.583 29.155 29.700 0.063 0.000 0.739 48 E HN 0.633 nan 8.360 nan 0.000 0.456 49 S N -0.177 115.469 115.700 -0.091 0.000 2.368 49 S HA -0.130 4.340 4.470 -0.000 0.000 0.224 49 S C 1.928 176.421 174.600 -0.178 0.000 1.029 49 S CA 1.068 59.209 58.200 -0.098 0.000 0.988 49 S CB -0.005 63.142 63.200 -0.088 0.000 0.838 49 S HN 0.126 nan 8.310 nan 0.000 0.462 50 R N 0.300 120.643 120.500 -0.262 0.000 2.066 50 R HA -0.044 4.296 4.340 -0.000 0.000 0.232 50 R C 2.173 178.082 176.300 -0.652 0.000 1.131 50 R CA 1.690 57.523 56.100 -0.444 0.000 0.955 50 R CB -0.545 29.469 30.300 -0.478 0.000 0.851 50 R HN 0.510 nan 8.270 nan 0.000 0.432 51 D N 0.219 120.342 120.400 -0.462 0.000 2.087 51 D HA -0.162 4.478 4.640 -0.000 0.000 0.192 51 D C 1.790 178.011 176.300 -0.132 0.000 0.993 51 D CA 1.798 55.660 54.000 -0.229 0.000 0.828 51 D CB -0.040 40.828 40.800 0.113 0.000 0.968 51 D HN 0.244 nan 8.370 nan 0.000 0.448 52 A N -0.925 121.843 122.820 -0.087 0.000 1.978 52 A HA -0.148 4.172 4.320 -0.000 0.000 0.220 52 A C 2.315 179.845 177.584 -0.090 0.000 1.170 52 A CA 2.180 54.186 52.037 -0.052 0.000 0.636 52 A CB -0.860 18.124 19.000 -0.027 0.000 0.810 52 A HN 0.369 nan 8.150 nan 0.000 0.448 53 T N -1.639 112.817 114.554 -0.164 0.000 3.086 53 T HA 0.193 4.543 4.350 -0.000 0.000 0.250 53 T C 0.363 174.941 174.700 -0.202 0.000 1.074 53 T CA 1.022 63.033 62.100 -0.148 0.000 0.988 53 T CB -0.551 68.233 68.868 -0.141 0.000 0.988 53 T HN 0.535 nan 8.240 nan 0.000 0.530 54 S N 1.615 117.104 115.700 -0.352 0.000 3.797 54 S HA -0.176 4.294 4.470 -0.000 0.000 0.374 54 S C 0.423 174.689 174.600 -0.556 0.000 0.970 54 S CA 0.838 58.770 58.200 -0.446 0.000 1.177 54 S CB -2.024 61.219 63.200 0.073 0.000 0.891 54 S HN 0.887 nan 8.310 nan 0.000 0.491 55 D N -0.664 119.237 120.400 -0.831 0.000 3.059 55 D HA -0.236 4.404 4.640 -0.000 0.000 0.222 55 D C 1.030 177.206 176.300 -0.208 0.000 1.185 55 D CA 2.101 55.810 54.000 -0.484 0.000 0.904 55 D CB -0.412 40.206 40.800 -0.304 0.000 1.122 55 D HN 0.760 nan 8.370 nan 0.000 0.410 56 K N -0.249 120.055 120.400 -0.161 0.000 2.097 56 K HA -0.037 4.283 4.320 -0.000 0.000 0.205 56 K C 2.214 178.776 176.600 -0.064 0.000 1.050 56 K CA 1.211 57.455 56.287 -0.073 0.000 0.938 56 K CB 0.006 32.481 32.500 -0.041 0.000 0.718 56 K HN 0.435 nan 8.250 nan 0.000 0.442 57 I N 1.258 121.780 120.570 -0.080 0.000 2.361 57 I HA -0.275 3.895 4.170 -0.000 0.000 0.251 57 I C 1.650 177.722 176.117 -0.075 0.000 1.133 57 I CA 1.314 62.598 61.300 -0.026 0.000 1.413 57 I CB -0.028 37.960 38.000 -0.019 0.000 1.073 57 I HN 0.150 nan 8.210 nan 0.000 0.424 58 T N 0.610 115.090 114.554 -0.123 0.000 2.652 58 T HA -0.219 4.131 4.350 -0.000 0.000 0.267 58 T C 1.861 176.481 174.700 -0.132 0.000 1.039 58 T CA 1.289 63.305 62.100 -0.140 0.000 1.153 58 T CB -0.252 68.536 68.868 -0.132 0.000 0.863 58 T HN 0.392 nan 8.240 nan 0.000 0.428 59 Q N 1.063 120.807 119.800 -0.094 0.000 2.014 59 Q HA -0.176 4.163 4.340 -0.000 0.000 0.207 59 Q C 2.248 178.187 176.000 -0.102 0.000 0.993 59 Q CA 1.678 57.437 55.803 -0.073 0.000 0.850 59 Q CB -0.632 28.083 28.738 -0.038 0.000 0.916 59 Q HN 0.572 nan 8.270 nan 0.000 0.417 60 D N 0.294 120.640 120.400 -0.091 0.000 2.116 60 D HA -0.186 4.454 4.640 -0.000 0.000 0.193 60 D C 1.749 177.834 176.300 -0.358 0.000 0.998 60 D CA 1.594 55.533 54.000 -0.102 0.000 0.836 60 D CB -0.247 40.585 40.800 0.053 0.000 0.951 60 D HN 0.291 nan 8.370 nan 0.000 0.449 61 A N 1.343 123.802 122.820 -0.603 0.000 1.908 61 A HA -0.087 4.233 4.320 -0.000 0.000 0.218 61 A C 2.389 179.684 177.584 -0.483 0.000 1.181 61 A CA 2.516 53.964 52.037 -0.982 0.000 0.627 61 A CB -0.783 17.805 19.000 -0.686 0.000 0.818 61 A HN 0.263 nan 8.150 nan 0.000 0.445 62 A N -0.012 122.638 122.820 -0.284 0.000 1.859 62 A HA -0.241 4.079 4.320 -0.000 0.000 0.217 62 A C 1.869 179.379 177.584 -0.124 0.000 1.198 62 A CA 1.850 53.786 52.037 -0.168 0.000 0.629 62 A CB -0.750 18.178 19.000 -0.120 0.000 0.830 62 A HN 0.623 nan 8.150 nan 0.000 0.446 63 E N -0.394 119.741 120.200 -0.108 0.000 2.333 63 E HA -0.050 4.300 4.350 -0.000 0.000 0.198 63 E C 2.095 178.691 176.600 -0.007 0.000 1.007 63 E CA 0.687 57.059 56.400 -0.047 0.000 0.845 63 E CB -0.241 29.442 29.700 -0.028 0.000 0.766 63 E HN 0.653 nan 8.360 nan 0.000 0.507 64 A N 0.978 123.758 122.820 -0.065 0.000 1.872 64 A HA -0.117 4.203 4.320 -0.000 0.000 0.214 64 A C 2.129 179.811 177.584 0.164 0.000 1.187 64 A CA 0.762 52.845 52.037 0.077 0.000 0.614 64 A CB -0.404 18.492 19.000 -0.173 0.000 0.826 64 A HN 0.125 nan 8.150 nan 0.000 0.442 65 I N -0.330 120.248 120.570 0.014 0.000 2.163 65 I HA -0.308 3.862 4.170 -0.000 0.000 0.243 65 I C 2.559 178.727 176.117 0.085 0.000 1.085 65 I CA 1.940 63.270 61.300 0.049 0.000 1.347 65 I CB -0.351 37.638 38.000 -0.019 0.000 1.044 65 I HN 0.360 nan 8.210 nan 0.000 0.408 66 K N 1.305 121.728 120.400 0.039 0.000 2.032 66 K HA -0.267 4.052 4.320 -0.000 0.000 0.209 66 K C 2.261 178.879 176.600 0.029 0.000 1.048 66 K CA 1.788 58.089 56.287 0.022 0.000 0.927 66 K CB -0.050 32.448 32.500 -0.002 0.000 0.712 66 K HN 0.163 nan 8.250 nan 0.000 0.441 67 K N -0.703 119.723 120.400 0.043 0.000 2.062 67 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 67 K C 1.644 178.145 176.600 -0.165 0.000 1.051 67 K CA 1.407 57.645 56.287 -0.081 0.000 0.941 67 K CB 0.013 32.423 32.500 -0.150 0.000 0.719 67 K HN 0.161 nan 8.250 nan 0.000 0.440 68 Y N -1.300 119.025 120.300 0.043 0.000 2.497 68 Y HA 0.229 4.779 4.550 -0.000 0.000 0.265 68 Y C 1.658 177.599 175.900 0.069 0.000 1.111 68 Y CA 0.500 58.633 58.100 0.056 0.000 1.288 68 Y CB 0.986 39.486 38.460 0.065 0.000 1.082 68 Y HN 0.389 nan 8.280 nan 0.000 0.536 69 G N -0.503 108.427 108.800 0.217 0.000 2.349 69 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.213 69 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.213 69 G C -0.217 174.827 174.900 0.240 0.000 1.044 69 G CA -0.023 45.199 45.100 0.204 0.000 0.633 69 G HN 0.080 nan 8.290 nan 0.000 0.506 70 V N 0.858 120.884 119.914 0.185 0.000 2.735 70 V HA 0.863 4.983 4.120 -0.000 0.000 0.310 70 V C 0.461 176.601 176.094 0.076 0.000 1.061 70 V CA 0.022 62.404 62.300 0.137 0.000 0.913 70 V CB 1.766 33.630 31.823 0.069 0.000 1.005 70 V HN 1.281 nan 8.190 nan 0.000 0.428 71 G N 3.366 112.192 108.800 0.044 0.000 2.701 71 G HA2 0.753 4.713 3.960 -0.000 0.000 0.300 71 G HA3 0.753 4.713 3.960 -0.000 0.000 0.300 71 G C -1.389 173.475 174.900 -0.061 0.000 1.410 71 G CA -0.485 44.606 45.100 -0.015 0.000 1.014 71 G HN 0.577 nan 8.290 nan 0.000 0.509 72 I N 1.484 121.980 120.570 -0.123 0.000 2.389 72 I HA 0.447 4.617 4.170 -0.000 0.000 0.288 72 I C -0.177 175.930 176.117 -0.018 0.000 0.999 72 I CA -0.779 60.411 61.300 -0.182 0.000 1.129 72 I CB 2.206 39.822 38.000 -0.639 0.000 1.288 72 I HN 0.319 nan 8.210 nan 0.000 0.444 73 K N 5.752 126.131 120.400 -0.035 0.000 2.324 73 K HA 0.511 4.831 4.320 -0.000 0.000 0.253 73 K C -1.198 175.146 176.600 -0.427 0.000 0.932 73 K CA -0.479 55.658 56.287 -0.249 0.000 0.799 73 K CB 2.333 34.707 32.500 -0.210 0.000 1.154 73 K HN 0.752 nan 8.250 nan 0.000 0.425 74 C N 3.395 122.125 119.300 -0.951 0.000 2.405 74 C HA 0.674 5.134 4.460 -0.000 0.000 0.365 74 C C 0.520 175.273 174.990 -0.395 0.000 1.233 74 C CA -0.499 58.021 59.018 -0.829 0.000 2.230 74 C CB -0.141 26.760 27.740 -1.398 0.000 2.443 74 C HN 0.911 nan 8.230 nan 0.000 0.556 75 A N 4.729 127.428 122.820 -0.202 0.000 2.548 75 A HA 0.468 4.788 4.320 -0.000 0.000 0.247 75 A C 0.660 178.145 177.584 -0.165 0.000 1.067 75 A CA 0.778 52.734 52.037 -0.136 0.000 0.757 75 A CB -0.193 18.795 19.000 -0.021 0.000 0.996 75 A HN 1.181 nan 8.150 nan 0.000 0.504 76 T N 0.785 115.245 114.554 -0.157 0.000 2.918 76 T HA 0.652 5.001 4.350 -0.000 0.000 0.286 76 T C -0.036 174.587 174.700 -0.129 0.000 1.026 76 T CA -0.664 61.337 62.100 -0.165 0.000 1.031 76 T CB 0.941 69.704 68.868 -0.175 0.000 1.046 76 T HN 0.402 nan 8.240 nan 0.000 0.479 77 I N 2.257 122.734 120.570 -0.154 0.000 2.471 77 I HA 0.157 4.327 4.170 -0.000 0.000 0.286 77 I C 0.416 176.476 176.117 -0.094 0.000 1.079 77 I CA -0.148 61.073 61.300 -0.132 0.000 1.398 77 I CB 0.797 38.666 38.000 -0.219 0.000 1.403 77 I HN 0.686 nan 8.210 nan 0.000 0.530 78 T N 8.299 122.826 114.554 -0.044 0.000 2.781 78 T HA 0.254 4.604 4.350 -0.000 0.000 0.305 78 T C -2.194 172.511 174.700 0.008 0.000 1.001 78 T CA -1.159 60.935 62.100 -0.009 0.000 0.950 78 T CB 0.529 69.401 68.868 0.006 0.000 0.955 78 T HN 0.411 nan 8.240 nan 0.000 0.471 79 P HA 0.142 nan 4.420 nan 0.000 0.266 79 P C -0.635 176.685 177.300 0.032 0.000 1.215 79 P CA -0.136 62.990 63.100 0.045 0.000 0.763 79 P CB 0.773 32.532 31.700 0.098 0.000 0.806 80 D N 1.407 121.827 120.400 0.033 0.000 2.621 80 D HA 0.110 4.749 4.640 -0.000 0.000 0.255 80 D C 0.887 177.199 176.300 0.020 0.000 1.122 80 D CA -0.770 53.239 54.000 0.015 0.000 1.096 80 D CB 1.096 41.906 40.800 0.017 0.000 1.282 80 D HN 0.323 nan 8.370 nan 0.000 0.619 81 E N -0.156 120.048 120.200 0.006 0.000 2.095 81 E HA -0.336 4.014 4.350 -0.000 0.000 0.212 81 E C 1.966 178.586 176.600 0.033 0.000 1.044 81 E CA 2.337 58.741 56.400 0.007 0.000 0.857 81 E CB -0.414 29.287 29.700 0.001 0.000 0.764 81 E HN 0.553 nan 8.360 nan 0.000 0.462 82 A N 0.798 123.645 122.820 0.045 0.000 1.978 82 A HA -0.192 4.128 4.320 -0.000 0.000 0.220 82 A C 2.031 179.682 177.584 0.111 0.000 1.170 82 A CA 1.394 53.471 52.037 0.065 0.000 0.636 82 A CB -0.409 18.628 19.000 0.062 0.000 0.810 82 A HN 0.144 nan 8.150 nan 0.000 0.448 83 R N -0.593 119.987 120.500 0.134 0.000 2.193 83 R HA 0.020 4.360 4.340 -0.000 0.000 0.213 83 R C 1.971 178.425 176.300 0.257 0.000 1.055 83 R CA 1.089 57.329 56.100 0.234 0.000 0.995 83 R CB -1.091 29.306 30.300 0.161 0.000 0.893 83 R HN 0.458 nan 8.270 nan 0.000 0.459 84 V N 1.347 121.349 119.914 0.147 0.000 2.358 84 V HA -0.191 3.928 4.120 -0.000 0.000 0.246 84 V C 2.527 178.701 176.094 0.134 0.000 1.047 84 V CA 1.669 64.046 62.300 0.128 0.000 1.035 84 V CB -0.418 31.430 31.823 0.042 0.000 0.658 84 V HN 0.270 nan 8.190 nan 0.000 0.452 85 K N 0.036 120.496 120.400 0.099 0.000 2.148 85 K HA -0.221 4.099 4.320 -0.000 0.000 0.204 85 K C 2.189 178.829 176.600 0.066 0.000 1.050 85 K CA 1.718 58.048 56.287 0.070 0.000 0.942 85 K CB -0.045 32.482 32.500 0.046 0.000 0.724 85 K HN 0.572 nan 8.250 nan 0.000 0.446 86 E N -0.548 119.708 120.200 0.093 0.000 2.028 86 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 86 E C 0.756 177.264 176.600 -0.155 0.000 0.988 86 E CA 1.143 57.525 56.400 -0.031 0.000 0.799 86 E CB 0.050 29.752 29.700 0.003 0.000 0.755 86 E HN 0.312 nan 8.360 nan 0.000 0.447 87 F N 0.557 120.550 119.950 0.072 0.000 2.641 87 F HA 0.253 4.780 4.527 -0.000 0.000 0.302 87 F C 0.479 176.331 175.800 0.086 0.000 1.098 87 F CA -0.244 57.804 58.000 0.079 0.000 1.318 87 F CB 0.061 39.111 39.000 0.084 0.000 1.035 87 F HN -0.061 nan 8.300 nan 0.000 0.551 88 N N 2.252 121.075 118.700 0.206 0.000 2.688 88 N HA -0.209 4.531 4.740 -0.000 0.000 0.258 88 N C -0.359 175.270 175.510 0.198 0.000 1.016 88 N CA 0.244 53.388 53.050 0.156 0.000 0.747 88 N CB -0.841 37.716 38.487 0.116 0.000 0.895 88 N HN 0.309 nan 8.380 nan 0.000 0.543 89 L N 0.178 121.533 121.223 0.221 0.000 2.479 89 L HA 0.133 4.473 4.340 -0.000 0.000 0.248 89 L C 2.030 179.039 176.870 0.231 0.000 1.205 89 L CA -0.547 54.455 54.840 0.270 0.000 0.817 89 L CB 0.274 42.505 42.059 0.286 0.000 1.162 89 L HN 0.313 nan 8.230 nan 0.000 0.486 90 H N 0.326 119.519 119.070 0.205 0.000 2.273 90 H HA 0.198 4.754 4.556 -0.000 0.000 0.317 90 H C 0.190 175.396 175.328 -0.204 0.000 1.062 90 H CA 1.137 57.230 56.048 0.074 0.000 1.419 90 H CB 0.455 30.371 29.762 0.258 0.000 1.442 90 H HN 0.372 nan 8.280 nan 0.000 0.542 91 K N -0.116 119.811 120.400 -0.788 0.000 2.280 91 K HA 0.268 4.588 4.320 -0.000 0.000 0.234 91 K C -0.676 175.344 176.600 -0.967 0.000 1.028 91 K CA -1.036 54.596 56.287 -1.092 0.000 0.882 91 K CB 1.858 33.453 32.500 -1.508 0.000 1.194 91 K HN 0.153 nan 8.250 nan 0.000 0.458 92 M N 2.471 121.700 119.600 -0.619 0.000 3.347 92 M HA 0.173 4.653 4.480 -0.000 0.000 0.260 92 M C -1.392 174.760 176.300 -0.247 0.000 1.362 92 M CA -0.544 54.568 55.300 -0.313 0.000 1.497 92 M CB -0.007 32.484 32.600 -0.181 0.000 1.080 92 M HN 0.374 nan 8.290 nan 0.000 0.592 93 W N 2.856 124.139 121.300 -0.028 0.000 2.364 93 W HA -0.046 4.614 4.660 -0.000 0.000 0.343 93 W C 0.407 176.905 176.519 -0.034 0.000 1.237 93 W CA -0.107 57.222 57.345 -0.028 0.000 1.319 93 W CB 0.031 29.474 29.460 -0.029 0.000 1.179 93 W HN 0.329 nan 8.180 nan 0.000 0.578 94 K N 2.046 122.572 120.400 0.210 0.000 2.237 94 K HA 0.181 4.501 4.320 -0.000 0.000 0.270 94 K C 0.544 177.196 176.600 0.087 0.000 1.015 94 K CA -0.572 55.778 56.287 0.104 0.000 0.949 94 K CB 0.763 33.311 32.500 0.079 0.000 0.976 94 K HN 0.473 nan 8.250 nan 0.000 0.472 95 S N 3.426 119.156 115.700 0.050 0.000 2.626 95 S HA 0.006 4.476 4.470 -0.000 0.000 0.303 95 S C -1.257 173.343 174.600 -0.001 0.000 1.256 95 S CA -1.039 57.175 58.200 0.022 0.000 1.069 95 S CB 0.327 63.546 63.200 0.032 0.000 0.807 95 S HN 0.458 nan 8.310 nan 0.000 0.500 96 P HA -0.056 nan 4.420 nan 0.000 0.230 96 P C 0.698 177.950 177.300 -0.080 0.000 1.158 96 P CA 0.687 63.746 63.100 -0.068 0.000 0.769 96 P CB 0.012 31.646 31.700 -0.109 0.000 0.807 97 N N 0.393 119.050 118.700 -0.071 0.000 2.250 97 N HA -0.064 4.676 4.740 -0.000 0.000 0.181 97 N C 2.145 177.607 175.510 -0.080 0.000 1.017 97 N CA 1.493 54.490 53.050 -0.087 0.000 0.866 97 N CB -0.896 37.540 38.487 -0.086 0.000 0.985 97 N HN 0.197 nan 8.380 nan 0.000 0.429 98 G N 0.725 109.505 108.800 -0.035 0.000 2.402 98 G HA2 -0.198 3.762 3.960 -0.000 0.000 0.216 98 G HA3 -0.198 3.762 3.960 -0.000 0.000 0.216 98 G C 1.559 176.429 174.900 -0.049 0.000 1.162 98 G CA 1.259 46.346 45.100 -0.021 0.000 0.777 98 G HN 0.243 nan 8.290 nan 0.000 0.539 99 T N 1.330 115.862 114.554 -0.038 0.000 2.746 99 T HA -0.049 4.300 4.350 -0.000 0.000 0.267 99 T C 2.351 177.012 174.700 -0.065 0.000 1.039 99 T CA 1.003 63.078 62.100 -0.041 0.000 1.142 99 T CB -0.101 68.748 68.868 -0.033 0.000 0.866 99 T HN 0.250 nan 8.240 nan 0.000 0.444 100 I N 0.383 120.903 120.570 -0.084 0.000 2.277 100 I HA -0.080 4.090 4.170 -0.000 0.000 0.243 100 I C 2.797 178.855 176.117 -0.098 0.000 1.094 100 I CA 1.096 62.338 61.300 -0.096 0.000 1.393 100 I CB -0.266 37.666 38.000 -0.112 0.000 1.078 100 I HN 0.086 nan 8.210 nan 0.000 0.417 101 R N 0.787 121.218 120.500 -0.116 0.000 2.081 101 R HA -0.178 4.162 4.340 -0.000 0.000 0.235 101 R C 2.189 178.410 176.300 -0.132 0.000 1.131 101 R CA 1.537 57.554 56.100 -0.138 0.000 0.960 101 R CB -0.526 29.663 30.300 -0.185 0.000 0.856 101 R HN 0.402 nan 8.270 nan 0.000 0.436 102 N N 1.122 119.739 118.700 -0.139 0.000 2.289 102 N HA -0.137 4.603 4.740 -0.000 0.000 0.184 102 N C 1.499 176.970 175.510 -0.065 0.000 1.016 102 N CA 1.103 54.059 53.050 -0.156 0.000 0.872 102 N CB 0.158 38.555 38.487 -0.150 0.000 0.973 102 N HN 0.263 nan 8.380 nan 0.000 0.433 103 I N 0.179 120.719 120.570 -0.050 0.000 2.584 103 I HA -0.120 4.050 4.170 -0.000 0.000 0.255 103 I C 1.779 177.887 176.117 -0.015 0.000 1.145 103 I CA 0.513 61.800 61.300 -0.023 0.000 1.462 103 I CB 0.092 38.070 38.000 -0.037 0.000 1.102 103 I HN 0.065 nan 8.210 nan 0.000 0.433 104 L N -0.094 121.109 121.223 -0.033 0.000 2.408 104 L HA 0.340 4.680 4.340 -0.000 0.000 0.215 104 L C 1.306 178.165 176.870 -0.019 0.000 1.081 104 L CA 0.255 55.075 54.840 -0.033 0.000 0.840 104 L CB -0.631 41.395 42.059 -0.055 0.000 1.002 104 L HN 0.352 nan 8.230 nan 0.000 0.468 105 G N -0.009 108.783 108.800 -0.013 0.000 2.806 105 G HA2 0.116 4.076 3.960 -0.000 0.000 0.236 105 G HA3 0.116 4.076 3.960 -0.000 0.000 0.236 105 G C 0.291 175.178 174.900 -0.021 0.000 1.387 105 G CA -0.175 44.940 45.100 0.025 0.000 0.884 105 G HN 0.862 nan 8.290 nan 0.000 0.560 106 G N -2.854 105.956 108.800 0.016 0.000 2.428 106 G HA2 0.491 4.451 3.960 -0.000 0.000 0.202 106 G HA3 0.491 4.451 3.960 -0.000 0.000 0.202 106 G C -0.191 174.672 174.900 -0.063 0.000 1.247 106 G CA 0.442 45.539 45.100 -0.005 0.000 1.020 106 G HN 2.252 nan 8.290 nan 0.000 0.529 107 T N -0.237 114.218 114.554 -0.165 0.000 2.885 107 T HA 0.620 4.970 4.350 -0.000 0.000 0.285 107 T C -0.250 174.108 174.700 -0.570 0.000 1.019 107 T CA -0.383 61.485 62.100 -0.385 0.000 1.010 107 T CB 2.132 70.711 68.868 -0.482 0.000 1.022 107 T HN 1.041 nan 8.240 nan 0.000 0.466 108 V N 3.589 123.175 119.914 -0.546 0.000 2.328 108 V HA 0.408 4.528 4.120 -0.000 0.000 0.278 108 V C -0.903 174.941 176.094 -0.416 0.000 1.021 108 V CA -0.750 61.309 62.300 -0.401 0.000 0.838 108 V CB 0.038 31.704 31.823 -0.261 0.000 0.999 108 V HN 0.715 nan 8.190 nan 0.000 0.447 109 F N 4.706 124.662 119.950 0.010 0.000 2.411 109 F HA 0.638 5.165 4.527 -0.000 0.000 0.350 109 F C 0.806 176.593 175.800 -0.022 0.000 1.114 109 F CA -0.612 57.394 58.000 0.010 0.000 1.135 109 F CB 0.972 39.993 39.000 0.036 0.000 1.120 109 F HN 0.291 nan 8.300 nan 0.000 0.495 110 R N 2.833 123.419 120.500 0.143 0.000 2.538 110 R HA 0.530 4.870 4.340 -0.000 0.000 0.292 110 R C -1.142 175.136 176.300 -0.037 0.000 1.008 110 R CA -0.944 55.170 56.100 0.022 0.000 0.896 110 R CB 2.674 32.959 30.300 -0.026 0.000 1.187 110 R HN 0.812 nan 8.270 nan 0.000 0.440 111 E N 2.452 122.593 120.200 -0.098 0.000 2.412 111 E HA 0.484 4.834 4.350 -0.000 0.000 0.279 111 E C -2.926 173.511 176.600 -0.273 0.000 0.984 111 E CA -2.306 53.964 56.400 -0.217 0.000 0.788 111 E CB 2.591 32.163 29.700 -0.213 0.000 1.277 111 E HN 0.137 nan 8.360 nan 0.000 0.455 112 P HA 0.125 nan 4.420 nan 0.000 0.271 112 P C -0.324 176.771 177.300 -0.341 0.000 1.233 112 P CA -0.149 62.700 63.100 -0.419 0.000 0.789 112 P CB 0.822 32.075 31.700 -0.744 0.000 0.951 113 I N 1.166 121.557 120.570 -0.299 0.000 2.330 113 I HA 0.171 4.341 4.170 -0.000 0.000 0.286 113 I C 0.116 176.113 176.117 -0.199 0.000 1.025 113 I CA -1.004 60.086 61.300 -0.350 0.000 1.197 113 I CB 1.451 39.092 38.000 -0.597 0.000 1.358 113 I HN -0.018 nan 8.210 nan 0.000 0.467 114 V N 7.860 127.697 119.914 -0.129 0.000 2.498 114 V HA 0.319 4.439 4.120 -0.000 0.000 0.279 114 V C 0.258 176.355 176.094 0.006 0.000 1.048 114 V CA -0.090 62.195 62.300 -0.025 0.000 0.967 114 V CB 1.338 33.168 31.823 0.011 0.000 0.988 114 V HN 0.479 nan 8.190 nan 0.000 0.473 115 I N 6.910 127.500 120.570 0.033 0.000 2.466 115 I HA 0.281 4.451 4.170 -0.000 0.000 0.279 115 I C -1.686 174.463 176.117 0.054 0.000 1.033 115 I CA -1.721 59.607 61.300 0.046 0.000 1.123 115 I CB 2.107 40.136 38.000 0.049 0.000 1.237 115 I HN 0.431 nan 8.210 nan 0.000 0.460 116 P HA -0.223 nan 4.420 nan 0.000 0.218 116 P C 1.555 178.882 177.300 0.044 0.000 1.152 116 P CA 1.396 64.525 63.100 0.048 0.000 0.857 116 P CB 0.107 31.833 31.700 0.043 0.000 0.787 117 R N -0.978 119.549 120.500 0.045 0.000 2.235 117 R HA -0.011 4.329 4.340 -0.000 0.000 0.213 117 R C 0.325 176.648 176.300 0.039 0.000 1.059 117 R CA 0.599 56.724 56.100 0.042 0.000 0.997 117 R CB -0.108 30.221 30.300 0.047 0.000 0.884 117 R HN 0.066 nan 8.270 nan 0.000 0.462 118 I N 2.696 123.292 120.570 0.043 0.000 2.312 118 I HA 0.331 4.501 4.170 -0.000 0.000 0.290 118 I C -2.132 174.007 176.117 0.037 0.000 1.008 118 I CA -3.125 58.198 61.300 0.038 0.000 1.226 118 I CB 0.960 38.984 38.000 0.039 0.000 1.371 118 I HN -0.077 nan 8.210 nan 0.000 0.468 119 P HA 0.391 nan 4.420 nan 0.000 0.274 119 P C -0.659 176.643 177.300 0.003 0.000 1.260 119 P CA -0.497 62.608 63.100 0.007 0.000 0.793 119 P CB 0.673 32.368 31.700 -0.008 0.000 1.048 120 R N -0.241 120.241 120.500 -0.031 0.000 2.832 120 R HA 0.452 4.792 4.340 -0.000 0.000 0.271 120 R C 1.024 177.245 176.300 -0.132 0.000 0.996 120 R CA -0.742 55.320 56.100 -0.063 0.000 0.977 120 R CB 0.541 30.779 30.300 -0.103 0.000 1.168 120 R HN 0.287 nan 8.270 nan 0.000 0.482 121 L N 0.520 121.649 121.223 -0.157 0.000 2.217 121 L HA 0.046 4.386 4.340 -0.000 0.000 0.211 121 L C 0.212 176.888 176.870 -0.322 0.000 1.107 121 L CA 0.794 55.519 54.840 -0.191 0.000 0.783 121 L CB 0.248 42.217 42.059 -0.150 0.000 0.919 121 L HN 0.273 nan 8.230 nan 0.000 0.442 122 V N 0.544 120.150 119.914 -0.514 0.000 2.239 122 V HA 0.162 4.282 4.120 -0.000 0.000 0.267 122 V C -1.459 174.283 176.094 -0.588 0.000 1.056 122 V CA -0.974 60.849 62.300 -0.796 0.000 0.830 122 V CB 0.863 31.595 31.823 -1.818 0.000 1.090 122 V HN 0.005 nan 8.190 nan 0.000 0.459 123 P HA -0.206 nan 4.420 nan 0.000 0.216 123 P C 1.721 178.929 177.300 -0.153 0.000 1.154 123 P CA 1.350 64.329 63.100 -0.200 0.000 0.865 123 P CB 0.213 31.824 31.700 -0.149 0.000 0.789 124 R N -1.919 118.471 120.500 -0.182 0.000 2.189 124 R HA -0.087 4.253 4.340 -0.000 0.000 0.223 124 R C 0.166 176.517 176.300 0.084 0.000 1.092 124 R CA 0.371 56.438 56.100 -0.055 0.000 0.989 124 R CB -0.154 30.116 30.300 -0.051 0.000 0.876 124 R HN 0.155 nan 8.270 nan 0.000 0.457 125 W N 1.563 122.755 121.300 -0.181 0.000 2.266 125 W HA 0.087 4.747 4.660 -0.000 0.000 0.317 125 W C 0.789 177.209 176.519 -0.164 0.000 1.310 125 W CA -0.637 56.566 57.345 -0.237 0.000 1.207 125 W CB 0.481 29.576 29.460 -0.610 0.000 1.199 125 W HN 0.273 nan 8.180 nan 0.000 0.544 126 E N 0.572 120.871 120.200 0.166 0.000 2.665 126 E HA 0.130 4.479 4.350 -0.000 0.000 0.225 126 E C -0.084 176.609 176.600 0.156 0.000 0.922 126 E CA -0.300 56.182 56.400 0.137 0.000 1.242 126 E CB 0.647 30.403 29.700 0.092 0.000 1.197 126 E HN 0.285 nan 8.360 nan 0.000 0.581 127 K N 1.724 122.218 120.400 0.157 0.000 2.318 127 K HA 0.438 4.758 4.320 -0.000 0.000 0.249 127 K C -2.834 173.834 176.600 0.112 0.000 0.942 127 K CA -2.624 53.724 56.287 0.102 0.000 0.808 127 K CB 1.920 34.444 32.500 0.042 0.000 1.189 127 K HN -0.238 nan 8.250 nan 0.000 0.428 128 P HA 0.005 nan 4.420 nan 0.000 0.265 128 P C -0.911 176.186 177.300 -0.339 0.000 1.193 128 P CA 0.354 63.303 63.100 -0.251 0.000 0.765 128 P CB 0.334 31.884 31.700 -0.251 0.000 0.823 129 I N 4.660 124.936 120.570 -0.490 0.000 2.330 129 I HA 0.278 4.447 4.170 -0.000 0.000 0.286 129 I C 0.315 176.195 176.117 -0.394 0.000 1.025 129 I CA -0.479 60.476 61.300 -0.575 0.000 1.197 129 I CB 0.486 38.108 38.000 -0.629 0.000 1.358 129 I HN 0.151 nan 8.210 nan 0.000 0.467 130 I N 6.698 127.109 120.570 -0.265 0.000 2.365 130 I HA 0.279 4.449 4.170 -0.000 0.000 0.291 130 I C -0.179 175.940 176.117 0.003 0.000 1.004 130 I CA -0.560 60.669 61.300 -0.117 0.000 1.311 130 I CB 1.165 39.119 38.000 -0.076 0.000 1.401 130 I HN 0.307 nan 8.210 nan 0.000 0.491 131 I N 5.330 125.930 120.570 0.048 0.000 2.339 131 I HA 0.304 4.474 4.170 -0.000 0.000 0.290 131 I C 0.652 176.908 176.117 0.231 0.000 0.994 131 I CA -0.308 61.056 61.300 0.107 0.000 1.191 131 I CB 1.130 39.147 38.000 0.028 0.000 1.343 131 I HN 0.583 nan 8.210 nan 0.000 0.458 132 G N 6.492 115.480 108.800 0.314 0.000 2.428 132 G HA2 0.439 4.398 3.960 -0.000 0.000 0.320 132 G HA3 0.439 4.398 3.960 -0.000 0.000 0.320 132 G C -0.082 174.906 174.900 0.147 0.000 1.098 132 G CA -0.627 44.697 45.100 0.373 0.000 0.984 132 G HN 0.610 nan 8.290 nan 0.000 0.444 133 R N 2.416 122.847 120.500 -0.114 0.000 2.229 133 R HA 0.217 4.557 4.340 -0.000 0.000 0.332 133 R C -0.306 175.739 176.300 -0.425 0.000 0.989 133 R CA -0.719 55.251 56.100 -0.217 0.000 0.842 133 R CB 0.386 30.558 30.300 -0.213 0.000 1.119 133 R HN 0.718 nan 8.270 nan 0.000 0.456 134 H N 3.227 121.777 119.070 -0.867 0.000 3.004 134 H HA 0.025 4.581 4.556 -0.000 0.000 0.316 134 H C 0.179 175.208 175.328 -0.497 0.000 1.014 134 H CA 0.475 55.882 56.048 -1.069 0.000 1.454 134 H CB 1.191 30.235 29.762 -1.197 0.000 1.472 134 H HN 0.814 nan 8.280 nan 0.000 0.571 135 A N 5.486 128.015 122.820 -0.484 0.000 2.308 135 A HA -0.045 4.274 4.320 -0.000 0.000 0.217 135 A C 1.697 179.023 177.584 -0.430 0.000 1.216 135 A CA -0.113 51.670 52.037 -0.423 0.000 0.864 135 A CB -0.215 18.610 19.000 -0.292 0.000 0.902 135 A HN 0.899 nan 8.150 nan 0.000 0.499 136 H N -0.092 118.526 119.070 -0.754 0.000 2.275 136 H HA 0.134 4.690 4.556 -0.000 0.000 0.315 136 H C 1.574 176.718 175.328 -0.306 0.000 1.058 136 H CA 1.941 57.704 56.048 -0.474 0.000 1.387 136 H CB -0.109 29.419 29.762 -0.390 0.000 1.435 136 H HN 0.353 nan 8.280 nan 0.000 0.530 137 G N -0.771 107.908 108.800 -0.202 0.000 3.374 137 G HA2 0.227 4.187 3.960 -0.000 0.000 0.200 137 G HA3 0.227 4.187 3.960 -0.000 0.000 0.200 137 G C -0.629 174.207 174.900 -0.105 0.000 1.801 137 G CA 0.555 45.478 45.100 -0.296 0.000 0.842 137 G HN 0.558 nan 8.290 nan 0.000 0.688 138 D N -0.988 119.388 120.400 -0.041 0.000 3.307 138 D HA -0.206 4.434 4.640 -0.000 0.000 0.197 138 D C 1.821 178.101 176.300 -0.033 0.000 1.363 138 D CA 1.423 55.471 54.000 0.080 0.000 1.100 138 D CB -0.734 40.193 40.800 0.212 0.000 0.616 138 D HN 0.491 nan 8.370 nan 0.000 0.719 139 Q N 0.138 119.889 119.800 -0.082 0.000 2.541 139 Q HA -0.128 4.212 4.340 -0.000 0.000 0.215 139 Q C 0.994 176.754 176.000 -0.400 0.000 0.977 139 Q CA 1.225 56.864 55.803 -0.275 0.000 0.934 139 Q CB -0.372 28.108 28.738 -0.429 0.000 0.988 139 Q HN 0.703 nan 8.270 nan 0.000 0.521 140 Y N 0.096 120.347 120.300 -0.081 0.000 2.625 140 Y HA 0.310 4.860 4.550 -0.000 0.000 0.285 140 Y C 0.883 176.715 175.900 -0.114 0.000 1.168 140 Y CA -0.145 57.904 58.100 -0.085 0.000 1.250 140 Y CB 0.740 39.141 38.460 -0.098 0.000 1.130 140 Y HN -0.094 nan 8.280 nan 0.000 0.526 141 K N -0.253 120.127 120.400 -0.032 0.000 2.929 141 K HA 0.340 4.660 4.320 -0.000 0.000 0.155 141 K C 0.021 176.649 176.600 0.047 0.000 1.096 141 K CA 0.253 56.533 56.287 -0.011 0.000 1.123 141 K CB -0.241 32.196 32.500 -0.106 0.000 0.757 141 K HN 0.151 nan 8.250 nan 0.000 0.405 142 A N 0.116 122.929 122.820 -0.011 0.000 2.261 142 A HA 0.557 4.877 4.320 -0.000 0.000 0.275 142 A C -0.081 177.532 177.584 0.048 0.000 1.246 142 A CA 0.490 52.535 52.037 0.013 0.000 0.810 142 A CB 0.204 19.159 19.000 -0.075 0.000 1.168 142 A HN 0.116 nan 8.150 nan 0.000 0.506 143 T N 1.164 115.739 114.554 0.034 0.000 3.223 143 T HA 0.329 4.679 4.350 -0.000 0.000 0.334 143 T C -1.178 173.524 174.700 0.003 0.000 0.940 143 T CA -0.543 61.574 62.100 0.029 0.000 1.272 143 T CB 0.175 69.077 68.868 0.057 0.000 0.982 143 T HN 0.803 nan 8.240 nan 0.000 0.512 144 D N 1.122 121.510 120.400 -0.020 0.000 2.539 144 D HA 0.778 5.418 4.640 -0.000 0.000 0.276 144 D C 0.213 176.497 176.300 -0.026 0.000 1.206 144 D CA -0.457 53.526 54.000 -0.028 0.000 1.081 144 D CB 1.563 42.334 40.800 -0.049 0.000 1.142 144 D HN 0.397 nan 8.370 nan 0.000 0.595 145 T N -2.088 112.448 114.554 -0.030 0.000 2.669 145 T HA 0.405 4.755 4.350 -0.000 0.000 0.305 145 T C -2.038 172.636 174.700 -0.043 0.000 1.838 145 T CA -0.700 61.377 62.100 -0.037 0.000 0.978 145 T CB 0.068 68.915 68.868 -0.036 0.000 1.851 145 T HN 0.265 nan 8.240 nan 0.000 0.503 146 L N 1.911 123.100 121.223 -0.058 0.000 2.334 146 L HA 0.737 5.077 4.340 -0.000 0.000 0.270 146 L C -0.362 176.436 176.870 -0.119 0.000 1.018 146 L CA -0.815 53.984 54.840 -0.069 0.000 0.811 146 L CB 1.548 43.573 42.059 -0.057 0.000 1.271 146 L HN 0.522 nan 8.230 nan 0.000 0.443 147 I N 3.494 123.965 120.570 -0.165 0.000 2.382 147 I HA 0.265 4.435 4.170 -0.000 0.000 0.285 147 I C -1.530 174.478 176.117 -0.182 0.000 1.007 147 I CA -1.833 59.289 61.300 -0.296 0.000 1.142 147 I CB 1.644 39.209 38.000 -0.725 0.000 1.289 147 I HN 0.438 nan 8.210 nan 0.000 0.453 148 P HA -0.013 nan 4.420 nan 0.000 0.216 148 P C 0.591 177.857 177.300 -0.057 0.000 1.153 148 P CA 1.169 64.222 63.100 -0.078 0.000 0.848 148 P CB 1.150 32.809 31.700 -0.068 0.000 0.787 149 G N -1.496 107.260 108.800 -0.074 0.000 2.554 149 G HA2 0.425 4.385 3.960 -0.000 0.000 0.306 149 G HA3 0.425 4.385 3.960 -0.000 0.000 0.306 149 G C -3.256 171.634 174.900 -0.016 0.000 1.320 149 G CA -0.996 44.089 45.100 -0.024 0.000 0.800 149 G HN -0.217 nan 8.290 nan 0.000 0.481 150 P HA 0.379 nan 4.420 nan 0.000 0.263 150 P C 0.393 177.714 177.300 0.035 0.000 1.162 150 P CA 1.682 64.817 63.100 0.059 0.000 0.758 150 P CB 0.741 32.460 31.700 0.032 0.000 0.773 151 G N 0.684 109.530 108.800 0.077 0.000 2.340 151 G HA2 0.375 4.335 3.960 -0.000 0.000 0.300 151 G HA3 0.375 4.335 3.960 -0.000 0.000 0.300 151 G C -0.847 174.129 174.900 0.127 0.000 1.488 151 G CA -0.381 44.753 45.100 0.058 0.000 0.878 151 G HN 0.548 nan 8.290 nan 0.000 0.618 152 S N 0.071 115.820 115.700 0.081 0.000 2.592 152 S HA 0.705 5.175 4.470 -0.000 0.000 0.271 152 S C -0.029 174.666 174.600 0.158 0.000 1.326 152 S CA -0.635 57.623 58.200 0.097 0.000 1.024 152 S CB 1.639 64.869 63.200 0.050 0.000 0.921 152 S HN 1.271 nan 8.310 nan 0.000 0.527 153 L N 1.945 123.284 121.223 0.195 0.000 2.415 153 L HA 0.553 4.893 4.340 -0.000 0.000 0.268 153 L C -0.858 176.099 176.870 0.145 0.000 0.984 153 L CA -0.099 54.878 54.840 0.228 0.000 0.853 153 L CB 1.094 43.410 42.059 0.429 0.000 1.215 153 L HN 0.974 nan 8.230 nan 0.000 0.419 154 E N 4.064 124.327 120.200 0.105 0.000 2.263 154 E HA 0.471 4.821 4.350 -0.000 0.000 0.264 154 E C -1.146 175.502 176.600 0.081 0.000 0.923 154 E CA -0.873 55.577 56.400 0.084 0.000 0.802 154 E CB 3.009 32.748 29.700 0.065 0.000 1.228 154 E HN 0.268 nan 8.360 nan 0.000 0.417 155 L N 3.188 124.459 121.223 0.081 0.000 2.318 155 L HA 0.391 4.731 4.340 -0.000 0.000 0.277 155 L C -1.392 175.536 176.870 0.096 0.000 1.008 155 L CA -0.642 54.249 54.840 0.087 0.000 0.846 155 L CB 1.174 43.285 42.059 0.086 0.000 1.220 155 L HN 0.354 nan 8.230 nan 0.000 0.423 156 V N 6.250 126.221 119.914 0.095 0.000 2.370 156 V HA 0.299 4.419 4.120 -0.000 0.000 0.283 156 V C -0.797 175.387 176.094 0.150 0.000 1.023 156 V CA -0.692 61.668 62.300 0.100 0.000 0.857 156 V CB 1.533 33.390 31.823 0.057 0.000 0.985 156 V HN 0.599 nan 8.190 nan 0.000 0.443 157 Y N 5.086 125.399 120.300 0.021 0.000 2.331 157 Y HA 0.589 5.139 4.550 -0.000 0.000 0.334 157 Y C -0.182 175.725 175.900 0.011 0.000 0.960 157 Y CA -1.176 56.934 58.100 0.016 0.000 1.130 157 Y CB 1.516 39.990 38.460 0.023 0.000 1.164 157 Y HN 0.586 nan 8.280 nan 0.000 0.458 158 K N 8.794 128.828 120.400 -0.610 0.000 2.507 158 K HA 0.353 4.673 4.320 -0.000 0.000 0.253 158 K C -2.525 173.643 176.600 -0.719 0.000 0.969 158 K CA -1.860 54.106 56.287 -0.535 0.000 0.908 158 K CB 1.275 33.632 32.500 -0.239 0.000 1.127 158 K HN 0.502 nan 8.250 nan 0.000 0.437 159 P HA 0.020 nan 4.420 nan 0.000 0.272 159 P C 0.004 177.186 177.300 -0.198 0.000 1.248 159 P CA -0.184 62.653 63.100 -0.438 0.000 0.799 159 P CB 0.855 32.439 31.700 -0.193 0.000 0.997 160 S N -1.218 114.430 115.700 -0.087 0.000 2.404 160 S HA -0.033 4.437 4.470 -0.000 0.000 0.223 160 S C 0.567 175.144 174.600 -0.038 0.000 1.040 160 S CA 0.981 59.150 58.200 -0.051 0.000 0.957 160 S CB -0.278 62.912 63.200 -0.017 0.000 0.826 160 S HN 0.735 nan 8.310 nan 0.000 0.491 161 D N 0.931 121.317 120.400 -0.024 0.000 2.420 161 D HA 0.369 5.009 4.640 -0.000 0.000 0.255 161 D C -2.575 173.718 176.300 -0.011 0.000 1.185 161 D CA -2.079 51.912 54.000 -0.014 0.000 0.904 161 D CB 1.456 42.255 40.800 -0.002 0.000 1.102 161 D HN -0.167 nan 8.370 nan 0.000 0.534 162 P HA -0.076 nan 4.420 nan 0.000 0.231 162 P C 0.607 177.907 177.300 0.000 0.000 1.154 162 P CA 0.857 63.949 63.100 -0.015 0.000 0.762 162 P CB 0.368 32.055 31.700 -0.023 0.000 0.790 163 T N -2.373 112.183 114.554 0.003 0.000 2.837 163 T HA -0.045 4.304 4.350 -0.000 0.000 0.248 163 T C 1.724 176.432 174.700 0.014 0.000 1.033 163 T CA 1.416 63.520 62.100 0.007 0.000 1.150 163 T CB -0.839 68.031 68.868 0.004 0.000 0.865 163 T HN 0.095 nan 8.240 nan 0.000 0.425 164 T N 1.773 116.337 114.554 0.017 0.000 2.904 164 T HA 0.386 4.736 4.350 -0.000 0.000 0.267 164 T C 0.791 175.513 174.700 0.037 0.000 1.059 164 T CA 0.864 62.978 62.100 0.024 0.000 1.137 164 T CB -0.108 68.774 68.868 0.024 0.000 0.879 164 T HN 0.444 nan 8.240 nan 0.000 0.467 165 A N 0.313 123.163 122.820 0.049 0.000 2.483 165 A HA 0.792 5.111 4.320 -0.000 0.000 0.286 165 A C -1.390 176.236 177.584 0.071 0.000 1.207 165 A CA -0.882 51.203 52.037 0.081 0.000 0.764 165 A CB 1.399 20.484 19.000 0.143 0.000 1.341 165 A HN 0.266 nan 8.150 nan 0.000 0.428 166 Q N 0.475 120.339 119.800 0.107 0.000 2.345 166 Q HA 0.464 4.803 4.340 -0.000 0.000 0.275 166 Q C -2.645 173.424 176.000 0.115 0.000 1.063 166 Q CA -1.958 53.890 55.803 0.076 0.000 0.819 166 Q CB 2.407 31.180 28.738 0.058 0.000 1.356 166 Q HN 0.654 nan 8.270 nan 0.000 0.418 167 P HA -0.121 nan 4.420 nan 0.000 0.272 167 P C -0.984 176.397 177.300 0.136 0.000 1.239 167 P CA 0.333 63.455 63.100 0.036 0.000 0.807 167 P CB 0.698 32.388 31.700 -0.018 0.000 0.951 168 Q N -1.334 118.559 119.800 0.154 0.000 2.386 168 Q HA 0.436 4.776 4.340 -0.000 0.000 0.274 168 Q C -1.281 174.788 176.000 0.116 0.000 1.011 168 Q CA -0.491 55.403 55.803 0.151 0.000 0.867 168 Q CB 2.358 31.219 28.738 0.205 0.000 1.409 168 Q HN 0.310 nan 8.270 nan 0.000 0.395 169 T N 2.417 117.021 114.554 0.084 0.000 3.298 169 T HA 0.316 4.666 4.350 -0.000 0.000 0.318 169 T C -0.692 174.045 174.700 0.062 0.000 1.165 169 T CA -0.406 61.735 62.100 0.069 0.000 1.557 169 T CB -0.018 68.880 68.868 0.049 0.000 0.898 169 T HN 0.304 nan 8.240 nan 0.000 0.585 170 L N 1.796 123.060 121.223 0.069 0.000 2.319 170 L HA 0.522 4.862 4.340 -0.000 0.000 0.280 170 L C 0.600 177.507 176.870 0.061 0.000 1.099 170 L CA -0.942 53.935 54.840 0.061 0.000 0.828 170 L CB 0.358 42.456 42.059 0.064 0.000 1.150 170 L HN 0.161 nan 8.230 nan 0.000 0.442 171 K N 2.569 123.000 120.400 0.053 0.000 2.378 171 K HA 0.136 4.455 4.320 -0.000 0.000 0.288 171 K C 0.358 176.999 176.600 0.068 0.000 1.057 171 K CA 0.020 56.341 56.287 0.056 0.000 0.971 171 K CB 0.999 33.522 32.500 0.038 0.000 0.975 171 K HN 0.460 nan 8.250 nan 0.000 0.475 172 V N 4.634 124.602 119.914 0.091 0.000 2.599 172 V HA 0.101 4.221 4.120 -0.000 0.000 0.245 172 V C 0.006 176.201 176.094 0.169 0.000 1.046 172 V CA 0.602 62.965 62.300 0.103 0.000 1.065 172 V CB -0.832 31.054 31.823 0.105 0.000 0.703 172 V HN 0.830 nan 8.190 nan 0.000 0.464 173 Y N -1.129 119.154 120.300 -0.029 0.000 2.927 173 Y HA 0.352 4.902 4.550 -0.000 0.000 0.392 173 Y C -2.303 173.559 175.900 -0.063 0.000 1.159 173 Y CA -1.538 56.496 58.100 -0.110 0.000 1.220 173 Y CB 1.051 39.345 38.460 -0.276 0.000 1.506 173 Y HN -0.005 nan 8.280 nan 0.000 0.481 174 D N 3.019 122.899 120.400 -0.867 0.000 2.469 174 D HA 0.254 4.894 4.640 -0.000 0.000 0.251 174 D C -1.309 174.465 176.300 -0.877 0.000 1.173 174 D CA -0.108 53.559 54.000 -0.554 0.000 0.882 174 D CB 0.810 41.398 40.800 -0.353 0.000 1.129 174 D HN 0.339 nan 8.370 nan 0.000 0.549 175 Y N 0.928 121.030 120.300 -0.330 0.000 2.397 175 Y HA 0.155 4.705 4.550 -0.000 0.000 0.335 175 Y C 1.768 177.616 175.900 -0.086 0.000 1.213 175 Y CA 0.143 58.203 58.100 -0.067 0.000 1.391 175 Y CB 1.049 39.578 38.460 0.115 0.000 1.293 175 Y HN 0.105 nan 8.280 nan 0.000 0.557 176 K N 1.381 121.857 120.400 0.126 0.000 2.592 176 K HA 0.408 4.728 4.320 -0.000 0.000 0.203 176 K C 0.088 176.748 176.600 0.099 0.000 1.070 176 K CA -0.031 56.295 56.287 0.065 0.000 1.062 176 K CB 0.881 33.389 32.500 0.013 0.000 0.814 176 K HN 0.894 nan 8.250 nan 0.000 0.502 177 G N 0.470 109.371 108.800 0.168 0.000 2.489 177 G HA2 0.166 4.126 3.960 -0.000 0.000 0.305 177 G HA3 0.166 4.126 3.960 -0.000 0.000 0.305 177 G C -1.345 173.652 174.900 0.162 0.000 1.311 177 G CA -0.673 44.507 45.100 0.134 0.000 0.813 177 G HN 0.020 nan 8.290 nan 0.000 0.480 178 S N -1.070 114.691 115.700 0.102 0.000 2.554 178 S HA 0.876 5.346 4.470 -0.000 0.000 0.278 178 S C 0.396 175.064 174.600 0.112 0.000 1.242 178 S CA 0.348 58.583 58.200 0.058 0.000 1.051 178 S CB 1.565 64.774 63.200 0.015 0.000 0.986 178 S HN 2.146 nan 8.310 nan 0.000 0.502 179 G N 0.282 109.132 108.800 0.083 0.000 2.561 179 G HA2 0.592 4.552 3.960 -0.000 0.000 0.310 179 G HA3 0.592 4.552 3.960 -0.000 0.000 0.310 179 G C -0.884 174.066 174.900 0.083 0.000 1.292 179 G CA -0.164 45.025 45.100 0.149 0.000 0.811 179 G HN 1.618 nan 8.290 nan 0.000 0.482 180 V N -2.671 117.314 119.914 0.118 0.000 2.881 180 V HA 1.009 5.129 4.120 -0.000 0.000 0.316 180 V C 0.157 176.320 176.094 0.115 0.000 1.070 180 V CA -0.345 61.990 62.300 0.059 0.000 0.976 180 V CB 1.098 32.927 31.823 0.009 0.000 1.038 180 V HN 2.295 nan 8.190 nan 0.000 0.446 181 A N 4.328 127.186 122.820 0.063 0.000 2.594 181 A HA 0.987 5.307 4.320 -0.000 0.000 0.295 181 A C -0.784 176.812 177.584 0.020 0.000 1.071 181 A CA -0.233 51.853 52.037 0.081 0.000 0.685 181 A CB 2.079 21.174 19.000 0.158 0.000 1.285 181 A HN 2.199 nan 8.150 nan 0.000 0.405 182 M N 0.207 119.812 119.600 0.008 0.000 2.773 182 M HA 0.906 5.386 4.480 -0.000 0.000 0.270 182 M C -1.057 175.242 176.300 -0.000 0.000 1.238 182 M CA -0.363 54.931 55.300 -0.010 0.000 0.832 182 M CB 1.839 34.410 32.600 -0.048 0.000 1.672 182 M HN 2.056 nan 8.290 nan 0.000 0.480 183 A N 1.941 124.770 122.820 0.014 0.000 2.587 183 A HA 0.973 5.293 4.320 -0.000 0.000 0.293 183 A C -1.092 176.540 177.584 0.079 0.000 1.087 183 A CA -0.623 51.440 52.037 0.043 0.000 0.692 183 A CB 2.052 21.098 19.000 0.076 0.000 1.291 183 A HN 1.349 nan 8.150 nan 0.000 0.407 184 M N 0.039 119.709 119.600 0.118 0.000 2.813 184 M HA 0.890 5.370 4.480 -0.000 0.000 0.270 184 M C -1.256 175.277 176.300 0.387 0.000 1.267 184 M CA -0.718 54.696 55.300 0.190 0.000 0.822 184 M CB 1.949 34.561 32.600 0.019 0.000 1.671 184 M HN 1.325 nan 8.290 nan 0.000 0.468 185 Y N -2.333 118.138 120.300 0.285 0.000 2.967 185 Y HA 0.854 5.404 4.550 -0.000 0.000 0.311 185 Y C -1.485 174.638 175.900 0.372 0.000 1.555 185 Y CA -0.911 57.401 58.100 0.354 0.000 1.084 185 Y CB 1.370 39.955 38.460 0.209 0.000 1.508 185 Y HN 0.924 nan 8.280 nan 0.000 0.457 186 N N -1.361 117.526 118.700 0.312 0.000 3.533 186 N HA 0.382 5.122 4.740 -0.000 0.000 0.229 186 N C -1.953 173.629 175.510 0.119 0.000 1.418 186 N CA 0.160 53.325 53.050 0.192 0.000 0.880 186 N CB 2.173 40.763 38.487 0.171 0.000 1.415 186 N HN 1.046 nan 8.380 nan 0.000 0.491 187 T N -1.987 112.549 114.554 -0.030 0.000 2.916 187 T HA 0.444 4.794 4.350 -0.000 0.000 0.292 187 T C 0.201 174.819 174.700 -0.137 0.000 1.055 187 T CA -0.484 61.574 62.100 -0.070 0.000 1.009 187 T CB 1.532 70.362 68.868 -0.063 0.000 1.118 187 T HN 0.247 nan 8.240 nan 0.000 0.497 188 D N 0.238 120.564 120.400 -0.122 0.000 2.178 188 D HA -0.083 4.557 4.640 -0.000 0.000 0.202 188 D C 1.649 177.895 176.300 -0.090 0.000 0.974 188 D CA 1.106 55.029 54.000 -0.129 0.000 0.841 188 D CB 0.068 40.810 40.800 -0.096 0.000 0.953 188 D HN 0.861 nan 8.370 nan 0.000 0.478 189 E N 0.410 120.569 120.200 -0.069 0.000 2.072 189 E HA -0.147 4.203 4.350 -0.000 0.000 0.191 189 E C 1.970 178.553 176.600 -0.029 0.000 0.985 189 E CA 0.952 57.328 56.400 -0.041 0.000 0.801 189 E CB 0.060 29.739 29.700 -0.035 0.000 0.750 189 E HN 0.003 nan 8.360 nan 0.000 0.452 190 S N -0.005 115.655 115.700 -0.067 0.000 2.382 190 S HA -0.099 4.371 4.470 -0.000 0.000 0.228 190 S C 1.973 176.639 174.600 0.110 0.000 1.027 190 S CA 0.970 59.180 58.200 0.016 0.000 0.991 190 S CB -0.260 62.846 63.200 -0.155 0.000 0.823 190 S HN 0.334 nan 8.310 nan 0.000 0.469 191 I N 1.131 121.690 120.570 -0.017 0.000 2.315 191 I HA -0.124 4.046 4.170 -0.000 0.000 0.248 191 I C 2.520 178.600 176.117 -0.062 0.000 1.117 191 I CA 1.255 62.519 61.300 -0.060 0.000 1.404 191 I CB -0.385 37.460 38.000 -0.259 0.000 1.071 191 I HN 0.399 nan 8.210 nan 0.000 0.419 192 E N 0.826 120.995 120.200 -0.053 0.000 2.106 192 E HA -0.145 4.205 4.350 -0.000 0.000 0.192 192 E C 2.301 178.939 176.600 0.064 0.000 0.984 192 E CA 1.156 57.537 56.400 -0.032 0.000 0.806 192 E CB -0.251 29.480 29.700 0.052 0.000 0.750 192 E HN 0.587 nan 8.360 nan 0.000 0.458 193 G N 1.117 109.974 108.800 0.096 0.000 2.414 193 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.215 193 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.215 193 G C 1.367 176.369 174.900 0.170 0.000 1.188 193 G CA 0.388 45.572 45.100 0.139 0.000 0.783 193 G HN 0.297 nan 8.290 nan 0.000 0.537 194 F N 2.141 122.073 119.950 -0.030 0.000 2.043 194 F HA -0.179 4.348 4.527 -0.000 0.000 0.297 194 F C 2.931 178.648 175.800 -0.139 0.000 1.118 194 F CA 1.538 59.519 58.000 -0.033 0.000 1.202 194 F CB -0.043 38.840 39.000 -0.195 0.000 0.965 194 F HN 0.277 nan 8.300 nan 0.000 0.482 195 A N 0.332 122.743 122.820 -0.680 0.000 1.865 195 A HA -0.278 4.042 4.320 -0.000 0.000 0.217 195 A C 2.082 179.203 177.584 -0.772 0.000 1.191 195 A CA 1.936 52.987 52.037 -1.644 0.000 0.623 195 A CB -1.588 16.238 19.000 -1.957 0.000 0.826 195 A HN 0.644 nan 8.150 nan 0.000 0.444 196 H N -0.064 118.843 119.070 -0.272 0.000 2.289 196 H HA -0.108 4.448 4.556 -0.000 0.000 0.296 196 H C 2.668 177.974 175.328 -0.037 0.000 1.091 196 H CA 1.891 57.925 56.048 -0.022 0.000 1.274 196 H CB -0.398 29.412 29.762 0.080 0.000 1.364 196 H HN 0.492 nan 8.280 nan 0.000 0.490 197 S N 0.220 116.018 115.700 0.164 0.000 2.365 197 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 197 S C 2.472 177.209 174.600 0.229 0.000 1.039 197 S CA 1.453 59.800 58.200 0.245 0.000 1.033 197 S CB -0.212 63.189 63.200 0.335 0.000 0.887 197 S HN 0.383 nan 8.310 nan 0.000 0.447 198 S N 0.879 116.637 115.700 0.098 0.000 2.382 198 S HA -0.028 4.442 4.470 -0.000 0.000 0.228 198 S C 1.499 176.001 174.600 -0.163 0.000 1.027 198 S CA 1.126 59.330 58.200 0.007 0.000 0.991 198 S CB -0.382 62.731 63.200 -0.144 0.000 0.823 198 S HN 0.441 nan 8.310 nan 0.000 0.469 199 F N 1.709 121.546 119.950 -0.189 0.000 2.187 199 F HA 0.106 4.633 4.527 -0.000 0.000 0.295 199 F C 2.179 177.865 175.800 -0.190 0.000 1.091 199 F CA 0.541 58.357 58.000 -0.306 0.000 1.308 199 F CB -0.506 37.781 39.000 -1.188 0.000 1.030 199 F HN 0.063 nan 8.300 nan 0.000 0.487 200 K N 0.271 120.674 120.400 0.004 0.000 2.063 200 K HA -0.184 4.136 4.320 -0.000 0.000 0.208 200 K C 2.164 178.791 176.600 0.046 0.000 1.048 200 K CA 1.392 57.742 56.287 0.104 0.000 0.928 200 K CB -0.583 32.007 32.500 0.149 0.000 0.713 200 K HN 0.270 nan 8.250 nan 0.000 0.442 201 L N 0.578 121.785 121.223 -0.027 0.000 2.027 201 L HA -0.156 4.184 4.340 -0.000 0.000 0.206 201 L C 2.428 179.231 176.870 -0.112 0.000 1.074 201 L CA 1.207 55.953 54.840 -0.157 0.000 0.745 201 L CB -0.406 41.377 42.059 -0.461 0.000 0.898 201 L HN 0.193 nan 8.230 nan 0.000 0.433 202 A N 0.160 122.953 122.820 -0.045 0.000 1.948 202 A HA -0.263 4.057 4.320 -0.000 0.000 0.220 202 A C 2.095 179.580 177.584 -0.166 0.000 1.177 202 A CA 2.110 54.117 52.037 -0.051 0.000 0.636 202 A CB -0.788 18.284 19.000 0.121 0.000 0.815 202 A HN 0.541 nan 8.150 nan 0.000 0.449 203 I N -1.097 119.404 120.570 -0.116 0.000 2.406 203 I HA -0.163 4.007 4.170 -0.000 0.000 0.249 203 I C 2.201 178.275 176.117 -0.072 0.000 1.122 203 I CA 1.589 62.812 61.300 -0.129 0.000 1.431 203 I CB -0.290 37.723 38.000 0.020 0.000 1.087 203 I HN 0.377 nan 8.210 nan 0.000 0.424 204 D N 1.079 121.454 120.400 -0.041 0.000 2.117 204 D HA -0.182 4.458 4.640 -0.000 0.000 0.197 204 D C 1.889 178.156 176.300 -0.055 0.000 0.987 204 D CA 1.332 55.311 54.000 -0.034 0.000 0.829 204 D CB 0.194 40.977 40.800 -0.029 0.000 0.961 204 D HN 0.084 nan 8.370 nan 0.000 0.460 205 K N -0.105 120.247 120.400 -0.080 0.000 2.374 205 K HA 0.090 4.410 4.320 -0.000 0.000 0.196 205 K C -0.279 176.276 176.600 -0.075 0.000 1.023 205 K CA -0.090 56.151 56.287 -0.076 0.000 1.103 205 K CB 0.550 32.994 32.500 -0.093 0.000 0.848 205 K HN -0.011 nan 8.250 nan 0.000 0.528 206 K N 1.389 121.731 120.400 -0.098 0.000 4.007 206 K HA -0.174 4.145 4.320 -0.000 0.000 0.279 206 K C -1.013 175.528 176.600 -0.100 0.000 0.919 206 K CA 0.453 56.668 56.287 -0.120 0.000 0.800 206 K CB -1.173 31.278 32.500 -0.083 0.000 1.572 206 K HN 0.175 nan 8.250 nan 0.000 0.443 207 L N 0.357 121.512 121.223 -0.113 0.000 2.376 207 L HA 0.417 4.757 4.340 -0.000 0.000 0.258 207 L C 0.268 177.127 176.870 -0.019 0.000 1.013 207 L CA -1.410 53.413 54.840 -0.027 0.000 0.822 207 L CB 1.688 43.759 42.059 0.020 0.000 1.388 207 L HN 0.140 nan 8.230 nan 0.000 0.413 208 N N 1.916 120.666 118.700 0.083 0.000 2.479 208 N HA 0.259 4.999 4.740 -0.000 0.000 0.257 208 N C -0.902 174.646 175.510 0.064 0.000 1.232 208 N CA 0.015 53.097 53.050 0.053 0.000 0.920 208 N CB 1.314 39.810 38.487 0.014 0.000 1.105 208 N HN 0.415 nan 8.380 nan 0.000 0.444 209 L N 2.524 123.764 121.223 0.027 0.000 2.333 209 L HA 0.465 4.805 4.340 -0.000 0.000 0.280 209 L C -1.330 175.432 176.870 -0.181 0.000 1.004 209 L CA -0.675 54.234 54.840 0.115 0.000 0.820 209 L CB 0.519 42.812 42.059 0.391 0.000 1.247 209 L HN 0.394 nan 8.230 nan 0.000 0.416 210 F N 5.514 125.491 119.950 0.044 0.000 2.445 210 F HA 0.365 4.891 4.527 -0.000 0.000 0.348 210 F C -0.025 175.684 175.800 -0.150 0.000 1.125 210 F CA -0.463 57.458 58.000 -0.132 0.000 0.983 210 F CB 1.732 40.619 39.000 -0.189 0.000 1.198 210 F HN 0.277 nan 8.300 nan 0.000 0.436 211 L N 4.022 125.192 121.223 -0.088 0.000 2.265 211 L HA 0.528 4.868 4.340 -0.000 0.000 0.288 211 L C -0.534 176.119 176.870 -0.362 0.000 1.058 211 L CA 0.035 54.719 54.840 -0.259 0.000 0.809 211 L CB 0.654 42.473 42.059 -0.400 0.000 1.179 211 L HN 0.580 nan 8.230 nan 0.000 0.429 212 S N 3.162 118.686 115.700 -0.293 0.000 2.549 212 S HA 0.748 5.218 4.470 -0.000 0.000 0.297 212 S C -0.315 174.111 174.600 -0.291 0.000 1.115 212 S CA -0.526 57.471 58.200 -0.339 0.000 1.059 212 S CB 2.121 65.212 63.200 -0.182 0.000 1.046 212 S HN 0.747 nan 8.310 nan 0.000 0.506 213 T N 0.424 114.821 114.554 -0.262 0.000 2.711 213 T HA 0.492 4.842 4.350 -0.000 0.000 0.302 213 T C -1.237 173.483 174.700 0.033 0.000 1.373 213 T CA -0.523 61.552 62.100 -0.042 0.000 1.000 213 T CB 1.334 70.320 68.868 0.196 0.000 1.483 213 T HN 0.446 nan 8.240 nan 0.000 0.499 214 K N 1.305 121.751 120.400 0.077 0.000 2.758 214 K HA 0.284 4.604 4.320 -0.000 0.000 0.208 214 K C 1.234 177.895 176.600 0.101 0.000 1.091 214 K CA -0.065 56.265 56.287 0.073 0.000 1.059 214 K CB -0.378 32.149 32.500 0.044 0.000 0.801 214 K HN 0.485 nan 8.250 nan 0.000 0.470 215 N N -0.619 118.168 118.700 0.145 0.000 2.334 215 N HA -0.208 4.532 4.740 -0.000 0.000 0.187 215 N C 0.993 176.552 175.510 0.081 0.000 1.016 215 N CA 2.124 55.248 53.050 0.124 0.000 0.879 215 N CB -0.833 37.712 38.487 0.098 0.000 0.965 215 N HN 0.299 nan 8.380 nan 0.000 0.438 216 T N -2.824 111.772 114.554 0.070 0.000 3.035 216 T HA 0.114 4.464 4.350 -0.000 0.000 0.268 216 T C 1.595 176.319 174.700 0.041 0.000 1.109 216 T CA 0.478 62.606 62.100 0.047 0.000 1.119 216 T CB -0.038 68.853 68.868 0.039 0.000 0.900 216 T HN 0.126 nan 8.240 nan 0.000 0.503 217 I N -0.419 120.178 120.570 0.046 0.000 3.300 217 I HA 0.307 4.477 4.170 -0.000 0.000 0.279 217 I C 0.505 176.648 176.117 0.043 0.000 1.172 217 I CA 0.235 61.555 61.300 0.033 0.000 1.431 217 I CB -0.419 37.592 38.000 0.019 0.000 1.240 217 I HN 0.231 nan 8.210 nan 0.000 0.453 218 L N 2.030 123.294 121.223 0.069 0.000 2.923 218 L HA 0.275 4.615 4.340 -0.000 0.000 0.231 218 L C 1.545 178.500 176.870 0.142 0.000 1.300 218 L CA 0.029 54.931 54.840 0.103 0.000 1.184 218 L CB -0.345 41.791 42.059 0.128 0.000 1.511 218 L HN 0.058 nan 8.230 nan 0.000 0.448 219 K N -0.317 120.142 120.400 0.098 0.000 2.242 219 K HA -0.241 4.079 4.320 -0.000 0.000 0.206 219 K C 1.369 178.029 176.600 0.100 0.000 1.045 219 K CA 1.618 57.957 56.287 0.086 0.000 0.930 219 K CB 0.083 32.617 32.500 0.057 0.000 0.726 219 K HN 0.404 nan 8.250 nan 0.000 0.462 220 K N -1.181 119.295 120.400 0.127 0.000 2.287 220 K HA 0.004 4.324 4.320 -0.000 0.000 0.199 220 K C 1.838 178.535 176.600 0.162 0.000 1.061 220 K CA 0.299 56.657 56.287 0.118 0.000 0.976 220 K CB -0.023 32.537 32.500 0.101 0.000 0.898 220 K HN 0.046 nan 8.250 nan 0.000 0.492 221 Y N 2.542 122.908 120.300 0.109 0.000 2.109 221 Y HA -0.198 4.351 4.550 -0.000 0.000 0.281 221 Y C 1.752 177.840 175.900 0.313 0.000 1.113 221 Y CA 1.783 59.988 58.100 0.176 0.000 1.098 221 Y CB 0.002 38.567 38.460 0.175 0.000 0.996 221 Y HN -0.014 nan 8.280 nan 0.000 0.485 222 D N -0.620 120.103 120.400 0.539 0.000 2.178 222 D HA -0.114 4.526 4.640 -0.000 0.000 0.201 222 D C 2.285 178.813 176.300 0.380 0.000 0.980 222 D CA 1.329 55.626 54.000 0.495 0.000 0.842 222 D CB -0.812 40.163 40.800 0.291 0.000 0.948 222 D HN 0.536 nan 8.370 nan 0.000 0.472 223 G N 0.405 109.342 108.800 0.229 0.000 2.442 223 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.219 223 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.219 223 G C 1.802 176.763 174.900 0.102 0.000 1.141 223 G CA 0.764 45.937 45.100 0.121 0.000 0.763 223 G HN 0.164 nan 8.290 nan 0.000 0.554 224 R N -0.090 120.451 120.500 0.068 0.000 2.105 224 R HA 0.007 4.347 4.340 -0.000 0.000 0.239 224 R C 2.213 178.482 176.300 -0.051 0.000 1.135 224 R CA 1.168 57.232 56.100 -0.059 0.000 0.967 224 R CB -0.709 29.459 30.300 -0.221 0.000 0.861 224 R HN 0.420 nan 8.270 nan 0.000 0.442 225 F N 0.561 120.545 119.950 0.057 0.000 2.051 225 F HA -0.136 4.391 4.527 -0.000 0.000 0.296 225 F C 2.381 178.271 175.800 0.151 0.000 1.122 225 F CA 1.945 60.019 58.000 0.123 0.000 1.201 225 F CB -0.536 38.523 39.000 0.100 0.000 0.978 225 F HN 0.037 nan 8.300 nan 0.000 0.472 226 K N 0.376 120.951 120.400 0.292 0.000 2.044 226 K HA -0.229 4.091 4.320 -0.000 0.000 0.210 226 K C 1.721 178.416 176.600 0.158 0.000 1.049 226 K CA 2.122 58.503 56.287 0.157 0.000 0.927 226 K CB -0.317 32.082 32.500 -0.168 0.000 0.713 226 K HN 0.136 nan 8.250 nan 0.000 0.443 227 D N 0.886 121.347 120.400 0.100 0.000 2.095 227 D HA -0.184 4.456 4.640 -0.000 0.000 0.192 227 D C 2.040 178.398 176.300 0.097 0.000 0.990 227 D CA 1.558 55.601 54.000 0.072 0.000 0.836 227 D CB -0.401 40.415 40.800 0.028 0.000 0.979 227 D HN 0.274 nan 8.370 nan 0.000 0.447 228 I N 0.263 120.882 120.570 0.081 0.000 2.185 228 I HA -0.324 3.846 4.170 -0.000 0.000 0.246 228 I C 2.326 178.489 176.117 0.077 0.000 1.088 228 I CA 0.973 62.300 61.300 0.044 0.000 1.347 228 I CB -0.265 37.728 38.000 -0.012 0.000 1.041 228 I HN -0.077 nan 8.210 nan 0.000 0.415 229 F N 0.847 120.792 119.950 -0.010 0.000 2.031 229 F HA -0.291 4.236 4.527 -0.000 0.000 0.295 229 F C 2.794 178.598 175.800 0.006 0.000 1.133 229 F CA 2.032 60.024 58.000 -0.014 0.000 1.188 229 F CB -0.878 38.098 39.000 -0.041 0.000 0.974 229 F HN 0.016 nan 8.300 nan 0.000 0.473 230 Q N 0.845 120.810 119.800 0.275 0.000 2.118 230 Q HA -0.268 4.072 4.340 -0.000 0.000 0.211 230 Q C 1.951 178.015 176.000 0.107 0.000 0.998 230 Q CA 2.336 58.272 55.803 0.221 0.000 0.872 230 Q CB -0.484 28.377 28.738 0.206 0.000 0.925 230 Q HN 0.528 nan 8.270 nan 0.000 0.414 231 E N -1.189 119.043 120.200 0.053 0.000 2.038 231 E HA -0.174 4.176 4.350 -0.000 0.000 0.195 231 E C 1.960 178.511 176.600 -0.081 0.000 1.000 231 E CA 1.661 58.053 56.400 -0.014 0.000 0.803 231 E CB -0.165 29.525 29.700 -0.017 0.000 0.750 231 E HN 0.226 nan 8.360 nan 0.000 0.448 232 V N 0.714 120.562 119.914 -0.110 0.000 2.568 232 V HA -0.257 3.863 4.120 -0.000 0.000 0.253 232 V C 1.957 177.873 176.094 -0.296 0.000 1.072 232 V CA 1.722 63.899 62.300 -0.205 0.000 1.084 232 V CB -0.566 31.082 31.823 -0.291 0.000 0.676 232 V HN 0.318 nan 8.190 nan 0.000 0.469 233 Y N 1.462 121.433 120.300 -0.549 0.000 2.176 233 Y HA -0.119 4.431 4.550 -0.000 0.000 0.291 233 Y C 2.491 178.129 175.900 -0.437 0.000 1.122 233 Y CA 1.774 59.379 58.100 -0.825 0.000 1.128 233 Y CB -0.158 37.802 38.460 -0.834 0.000 1.005 233 Y HN 0.337 nan 8.280 nan 0.000 0.509 234 E N 0.011 120.032 120.200 -0.299 0.000 2.268 234 E HA -0.106 4.244 4.350 -0.000 0.000 0.195 234 E C 2.189 178.616 176.600 -0.288 0.000 0.995 234 E CA 0.652 56.869 56.400 -0.304 0.000 0.836 234 E CB -0.157 29.477 29.700 -0.111 0.000 0.763 234 E HN 0.565 nan 8.360 nan 0.000 0.491 235 A N 1.803 124.462 122.820 -0.268 0.000 1.872 235 A HA -0.151 4.169 4.320 -0.000 0.000 0.214 235 A C 1.858 179.251 177.584 -0.318 0.000 1.187 235 A CA 1.354 53.250 52.037 -0.236 0.000 0.614 235 A CB 0.046 18.939 19.000 -0.178 0.000 0.826 235 A HN 0.289 nan 8.150 nan 0.000 0.442 236 Q N -3.436 116.074 119.800 -0.483 0.000 1.956 236 Q HA 0.272 4.612 4.340 -0.000 0.000 0.217 236 Q C -0.649 174.800 176.000 -0.918 0.000 0.835 236 Q CA -0.147 55.278 55.803 -0.631 0.000 0.974 236 Q CB -0.305 28.068 28.738 -0.609 0.000 1.258 236 Q HN 0.637 nan 8.270 nan 0.000 0.406 237 Y N -0.310 119.709 120.300 -0.469 0.000 2.459 237 Y HA 0.272 4.822 4.550 -0.000 0.000 0.271 237 Y C 1.984 177.562 175.900 -0.537 0.000 1.063 237 Y CA -0.326 57.528 58.100 -0.410 0.000 1.216 237 Y CB 1.002 39.108 38.460 -0.591 0.000 1.335 237 Y HN -0.008 nan 8.280 nan 0.000 0.550 238 K N 0.884 120.741 120.400 -0.904 0.000 2.103 238 K HA -0.143 4.176 4.320 -0.000 0.000 0.207 238 K C 1.636 178.072 176.600 -0.275 0.000 1.048 238 K CA 1.816 57.517 56.287 -0.977 0.000 0.930 238 K CB 0.051 31.978 32.500 -0.954 0.000 0.716 238 K HN 0.199 nan 8.250 nan 0.000 0.444 239 S N 1.203 116.778 115.700 -0.209 0.000 2.344 239 S HA -0.129 4.341 4.470 -0.000 0.000 0.217 239 S C 1.721 176.329 174.600 0.012 0.000 1.033 239 S CA 1.438 59.586 58.200 -0.087 0.000 1.017 239 S CB -0.274 62.862 63.200 -0.107 0.000 0.941 239 S HN 0.341 nan 8.310 nan 0.000 0.430 240 K N 0.362 120.795 120.400 0.056 0.000 2.063 240 K HA -0.076 4.244 4.320 -0.000 0.000 0.208 240 K C 1.859 178.561 176.600 0.171 0.000 1.048 240 K CA 1.337 57.692 56.287 0.113 0.000 0.928 240 K CB -0.391 32.206 32.500 0.161 0.000 0.713 240 K HN 0.162 nan 8.250 nan 0.000 0.442 241 F N 2.087 122.064 119.950 0.045 0.000 2.046 241 F HA -0.203 4.324 4.527 -0.000 0.000 0.297 241 F C 2.255 178.059 175.800 0.008 0.000 1.123 241 F CA 1.583 59.633 58.000 0.083 0.000 1.199 241 F CB -0.370 38.776 39.000 0.242 0.000 0.972 241 F HN 0.083 nan 8.300 nan 0.000 0.474 242 E N -0.586 119.738 120.200 0.207 0.000 2.160 242 E HA -0.302 4.047 4.350 -0.000 0.000 0.195 242 E C 2.132 178.748 176.600 0.027 0.000 0.991 242 E CA 1.204 57.653 56.400 0.082 0.000 0.810 242 E CB -0.370 29.370 29.700 0.068 0.000 0.742 242 E HN 0.544 nan 8.360 nan 0.000 0.466 243 Q N 0.602 120.421 119.800 0.031 0.000 2.119 243 Q HA -0.140 4.200 4.340 -0.000 0.000 0.201 243 Q C 1.995 177.986 176.000 -0.014 0.000 0.972 243 Q CA 0.928 56.736 55.803 0.007 0.000 0.847 243 Q CB 0.133 28.877 28.738 0.011 0.000 0.903 243 Q HN 0.295 nan 8.270 nan 0.000 0.433 244 L N -1.292 119.911 121.223 -0.034 0.000 2.446 244 L HA 0.223 4.563 4.340 -0.000 0.000 0.219 244 L C 1.071 177.889 176.870 -0.087 0.000 1.116 244 L CA 0.460 55.258 54.840 -0.070 0.000 0.844 244 L CB 0.375 42.361 42.059 -0.121 0.000 0.970 244 L HN 0.430 nan 8.230 nan 0.000 0.457 245 G N 1.686 110.424 108.800 -0.104 0.000 2.203 245 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.231 245 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.231 245 G C -0.057 174.694 174.900 -0.247 0.000 1.058 245 G CA 0.235 45.250 45.100 -0.141 0.000 0.781 245 G HN 0.402 nan 8.290 nan 0.000 0.496 246 I N -2.718 117.661 120.570 -0.318 0.000 2.686 246 I HA 0.851 5.021 4.170 -0.000 0.000 0.295 246 I C -0.400 175.639 176.117 -0.130 0.000 1.114 246 I CA -1.628 59.493 61.300 -0.298 0.000 1.038 246 I CB 1.799 39.609 38.000 -0.316 0.000 1.238 246 I HN 0.061 nan 8.210 nan 0.000 0.420 247 H N 3.239 122.458 119.070 0.249 0.000 2.731 247 H HA 0.589 5.145 4.556 -0.000 0.000 0.368 247 H C -1.436 174.017 175.328 0.209 0.000 1.168 247 H CA -0.923 55.321 56.048 0.326 0.000 1.181 247 H CB 1.209 31.025 29.762 0.089 0.000 1.743 247 H HN 0.703 nan 8.280 nan 0.000 0.547 248 Y N 0.317 120.588 120.300 -0.049 0.000 2.496 248 Y HA 0.587 5.137 4.550 -0.000 0.000 0.331 248 Y C -0.512 175.178 175.900 -0.350 0.000 1.140 248 Y CA -0.882 57.003 58.100 -0.359 0.000 1.166 248 Y CB 1.558 39.447 38.460 -0.952 0.000 1.249 248 Y HN 0.878 nan 8.280 nan 0.000 0.479 249 E N 2.488 121.725 120.200 -1.605 0.000 2.401 249 E HA 0.122 4.472 4.350 -0.000 0.000 0.283 249 E C -2.306 173.790 176.600 -0.840 0.000 1.053 249 E CA -0.773 55.014 56.400 -1.022 0.000 0.842 249 E CB 0.876 30.289 29.700 -0.479 0.000 1.222 249 E HN 0.830 nan 8.360 nan 0.000 0.429 250 H N 4.749 123.506 119.070 -0.521 0.000 2.511 250 H HA 0.499 5.055 4.556 -0.000 0.000 0.328 250 H C -0.990 174.263 175.328 -0.124 0.000 1.044 250 H CA -0.258 55.636 56.048 -0.255 0.000 1.212 250 H CB 0.701 30.386 29.762 -0.128 0.000 1.428 250 H HN 0.477 nan 8.280 nan 0.000 0.483 251 R N 3.604 123.842 120.500 -0.438 0.000 2.943 251 R HA 0.434 4.774 4.340 -0.000 0.000 0.246 251 R C -0.275 175.826 176.300 -0.332 0.000 1.201 251 R CA -1.297 54.669 56.100 -0.223 0.000 1.056 251 R CB 1.827 32.022 30.300 -0.175 0.000 1.243 251 R HN 0.488 nan 8.270 nan 0.000 0.498 252 L N 1.557 122.712 121.223 -0.114 0.000 2.326 252 L HA 0.140 4.480 4.340 -0.000 0.000 0.278 252 L C 1.821 178.629 176.870 -0.103 0.000 1.092 252 L CA -0.253 54.548 54.840 -0.065 0.000 0.810 252 L CB 0.985 43.046 42.059 0.003 0.000 1.153 252 L HN 0.596 nan 8.230 nan 0.000 0.439 253 I N 2.069 122.583 120.570 -0.092 0.000 2.290 253 I HA -0.333 3.837 4.170 -0.000 0.000 0.253 253 I C 1.557 177.640 176.117 -0.057 0.000 1.112 253 I CA 1.886 63.139 61.300 -0.078 0.000 1.377 253 I CB -0.177 37.797 38.000 -0.043 0.000 1.060 253 I HN 0.722 nan 8.210 nan 0.000 0.428 254 D N -0.037 120.339 120.400 -0.040 0.000 2.084 254 D HA -0.220 4.420 4.640 -0.000 0.000 0.194 254 D C 1.916 178.188 176.300 -0.047 0.000 0.990 254 D CA 1.679 55.661 54.000 -0.031 0.000 0.826 254 D CB -0.395 40.393 40.800 -0.020 0.000 0.971 254 D HN 0.483 nan 8.370 nan 0.000 0.453 255 D N -0.412 119.951 120.400 -0.061 0.000 2.087 255 D HA -0.189 4.451 4.640 -0.000 0.000 0.192 255 D C 1.931 178.160 176.300 -0.119 0.000 0.993 255 D CA 0.965 54.917 54.000 -0.079 0.000 0.828 255 D CB -0.198 40.555 40.800 -0.079 0.000 0.968 255 D HN -0.015 nan 8.370 nan 0.000 0.448 256 M N 0.388 119.896 119.600 -0.153 0.000 2.088 256 M HA -0.182 4.298 4.480 -0.000 0.000 0.256 256 M C 2.243 178.458 176.300 -0.142 0.000 1.071 256 M CA 2.145 57.317 55.300 -0.213 0.000 1.097 256 M CB -0.751 31.725 32.600 -0.208 0.000 1.315 256 M HN 0.153 nan 8.290 nan 0.000 0.406 257 V N -1.526 118.344 119.914 -0.073 0.000 2.594 257 V HA -0.082 4.038 4.120 -0.000 0.000 0.253 257 V C 2.163 178.262 176.094 0.008 0.000 1.069 257 V CA 1.750 64.041 62.300 -0.014 0.000 1.082 257 V CB -2.143 29.680 31.823 0.001 0.000 0.680 257 V HN 0.520 nan 8.190 nan 0.000 0.469 258 A N -0.963 121.843 122.820 -0.023 0.000 1.975 258 A HA 0.020 4.339 4.320 -0.000 0.000 0.215 258 A C 2.204 179.778 177.584 -0.015 0.000 1.170 258 A CA 0.937 52.968 52.037 -0.010 0.000 0.656 258 A CB -0.377 18.608 19.000 -0.025 0.000 0.821 258 A HN 0.508 nan 8.150 nan 0.000 0.449 259 Q N -0.565 119.189 119.800 -0.076 0.000 2.020 259 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 259 Q C 2.152 178.128 176.000 -0.039 0.000 0.982 259 Q CA 1.862 57.590 55.803 -0.124 0.000 0.838 259 Q CB -0.593 27.964 28.738 -0.302 0.000 0.899 259 Q HN 0.798 nan 8.270 nan 0.000 0.423 260 M N -0.102 119.498 119.600 -0.001 0.000 2.065 260 M HA -0.188 4.292 4.480 -0.000 0.000 0.259 260 M C 1.735 178.278 176.300 0.405 0.000 1.069 260 M CA 1.501 56.927 55.300 0.210 0.000 1.110 260 M CB -0.082 32.625 32.600 0.178 0.000 1.328 260 M HN 0.099 nan 8.290 nan 0.000 0.405 261 I N 1.394 122.159 120.570 0.324 0.000 2.335 261 I HA -0.279 3.891 4.170 -0.000 0.000 0.251 261 I C 2.201 178.450 176.117 0.221 0.000 1.129 261 I CA 1.786 63.279 61.300 0.321 0.000 1.402 261 I CB -1.280 36.795 38.000 0.125 0.000 1.069 261 I HN 0.548 nan 8.210 nan 0.000 0.424 262 K N 0.483 120.983 120.400 0.167 0.000 2.374 262 K HA 0.099 4.419 4.320 -0.000 0.000 0.196 262 K C 0.994 177.686 176.600 0.155 0.000 1.023 262 K CA -0.077 56.271 56.287 0.101 0.000 1.103 262 K CB 0.131 32.654 32.500 0.039 0.000 0.848 262 K HN 0.241 nan 8.250 nan 0.000 0.528 263 S N 0.800 116.662 115.700 0.270 0.000 2.652 263 S HA 0.198 4.668 4.470 -0.000 0.000 0.267 263 S C 0.662 175.468 174.600 0.343 0.000 1.201 263 S CA -0.686 57.679 58.200 0.275 0.000 0.996 263 S CB 1.006 64.410 63.200 0.340 0.000 1.054 263 S HN 0.227 nan 8.310 nan 0.000 0.561 264 K N -0.016 120.546 120.400 0.271 0.000 2.358 264 K HA 0.313 4.633 4.320 -0.000 0.000 0.200 264 K C 0.992 177.687 176.600 0.159 0.000 1.030 264 K CA 0.406 56.826 56.287 0.221 0.000 1.097 264 K CB 0.028 32.619 32.500 0.153 0.000 0.862 264 K HN 0.941 nan 8.250 nan 0.000 0.534 265 G N 0.612 109.472 108.800 0.100 0.000 2.584 265 G HA2 -0.159 3.801 3.960 -0.000 0.000 0.229 265 G HA3 -0.159 3.801 3.960 -0.000 0.000 0.229 265 G C 0.209 175.005 174.900 -0.173 0.000 1.320 265 G CA -0.286 44.660 45.100 -0.257 0.000 0.891 265 G HN 0.466 nan 8.290 nan 0.000 0.573 266 G N -1.921 106.677 108.800 -0.336 0.000 2.417 266 G HA2 0.423 4.383 3.960 -0.000 0.000 0.291 266 G HA3 0.423 4.383 3.960 -0.000 0.000 0.291 266 G C 0.077 174.997 174.900 0.033 0.000 1.094 266 G CA 1.136 46.160 45.100 -0.125 0.000 1.146 266 G HN 2.488 nan 8.290 nan 0.000 0.519 267 F N -2.372 117.604 119.950 0.044 0.000 2.799 267 F HA 0.740 5.267 4.527 -0.000 0.000 0.316 267 F C -0.737 175.116 175.800 0.090 0.000 1.155 267 F CA -2.482 55.584 58.000 0.111 0.000 0.916 267 F CB 0.684 39.845 39.000 0.269 0.000 1.294 267 F HN 0.136 nan 8.300 nan 0.000 0.447 268 I N 2.348 123.173 120.570 0.425 0.000 2.498 268 I HA 0.500 4.670 4.170 -0.000 0.000 0.301 268 I C -0.615 175.767 176.117 0.442 0.000 0.984 268 I CA -0.840 60.636 61.300 0.294 0.000 1.204 268 I CB 1.890 39.993 38.000 0.171 0.000 1.362 268 I HN 0.585 nan 8.210 nan 0.000 0.471 269 M N 5.258 125.049 119.600 0.318 0.000 2.016 269 M HA 0.392 4.871 4.480 -0.000 0.000 0.315 269 M C -0.369 176.061 176.300 0.216 0.000 0.930 269 M CA -0.489 54.975 55.300 0.274 0.000 0.899 269 M CB 1.569 34.301 32.600 0.219 0.000 1.401 269 M HN 0.663 nan 8.290 nan 0.000 0.386 270 A N 5.007 127.948 122.820 0.202 0.000 2.454 270 A HA 0.705 5.025 4.320 -0.000 0.000 0.260 270 A C -0.584 177.132 177.584 0.220 0.000 1.106 270 A CA 0.049 52.245 52.037 0.265 0.000 0.780 270 A CB 0.234 19.261 19.000 0.044 0.000 1.044 270 A HN 0.875 nan 8.150 nan 0.000 0.498 271 L N 2.038 123.461 121.223 0.334 0.000 2.371 271 L HA 0.429 4.769 4.340 -0.000 0.000 0.262 271 L C 0.060 177.003 176.870 0.123 0.000 1.006 271 L CA -0.988 53.941 54.840 0.149 0.000 0.818 271 L CB 2.190 44.274 42.059 0.041 0.000 1.354 271 L HN 0.703 nan 8.230 nan 0.000 0.415 272 K N 0.960 121.364 120.400 0.007 0.000 2.319 272 K HA 0.023 4.343 4.320 -0.000 0.000 0.265 272 K C 0.866 177.449 176.600 -0.028 0.000 1.000 272 K CA -0.303 55.956 56.287 -0.048 0.000 0.943 272 K CB 0.423 32.831 32.500 -0.153 0.000 0.950 272 K HN 0.477 nan 8.250 nan 0.000 0.485 273 N N 1.398 120.079 118.700 -0.032 0.000 2.106 273 N HA -0.299 4.441 4.740 -0.000 0.000 0.200 273 N C 1.644 177.131 175.510 -0.039 0.000 1.014 273 N CA 2.012 54.978 53.050 -0.140 0.000 0.891 273 N CB -0.306 38.107 38.487 -0.123 0.000 1.069 273 N HN 0.612 nan 8.380 nan 0.000 0.490 274 Y N 1.668 122.065 120.300 0.162 0.000 2.181 274 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 274 Y C 2.185 178.138 175.900 0.090 0.000 1.146 274 Y CA 1.787 60.062 58.100 0.293 0.000 1.164 274 Y CB -0.515 38.078 38.460 0.222 0.000 0.982 274 Y HN 0.119 nan 8.280 nan 0.000 0.515 275 D N -0.429 119.968 120.400 -0.004 0.000 2.097 275 D HA -0.161 4.478 4.640 -0.000 0.000 0.195 275 D C 2.354 178.571 176.300 -0.139 0.000 0.989 275 D CA 1.561 55.497 54.000 -0.107 0.000 0.827 275 D CB -0.829 39.959 40.800 -0.019 0.000 0.966 275 D HN 0.525 nan 8.370 nan 0.000 0.456 276 G N 1.330 110.066 108.800 -0.106 0.000 2.529 276 G HA2 -0.346 3.614 3.960 -0.000 0.000 0.219 276 G HA3 -0.346 3.614 3.960 -0.000 0.000 0.219 276 G C 1.366 176.178 174.900 -0.147 0.000 1.177 276 G CA 1.240 46.275 45.100 -0.108 0.000 0.773 276 G HN 0.222 nan 8.290 nan 0.000 0.573 277 D N 0.244 120.521 120.400 -0.205 0.000 2.156 277 D HA -0.159 4.481 4.640 -0.000 0.000 0.190 277 D C 2.766 178.960 176.300 -0.176 0.000 0.998 277 D CA 1.984 55.864 54.000 -0.201 0.000 0.842 277 D CB -0.458 40.221 40.800 -0.201 0.000 0.974 277 D HN 0.176 nan 8.370 nan 0.000 0.447 278 V N 1.304 121.059 119.914 -0.266 0.000 2.255 278 V HA -0.247 3.873 4.120 -0.000 0.000 0.247 278 V C 2.691 178.722 176.094 -0.106 0.000 1.051 278 V CA 1.750 63.924 62.300 -0.209 0.000 1.018 278 V CB -0.648 30.991 31.823 -0.306 0.000 0.641 278 V HN 0.260 nan 8.190 nan 0.000 0.445 279 Q N 0.544 120.286 119.800 -0.096 0.000 2.170 279 Q HA -0.142 4.198 4.340 -0.000 0.000 0.203 279 Q C 2.550 178.544 176.000 -0.009 0.000 0.976 279 Q CA 1.922 57.707 55.803 -0.031 0.000 0.858 279 Q CB -0.851 27.874 28.738 -0.022 0.000 0.907 279 Q HN 0.839 nan 8.270 nan 0.000 0.433 280 S N 0.281 115.959 115.700 -0.036 0.000 2.474 280 S HA -0.113 4.357 4.470 -0.000 0.000 0.235 280 S C 1.157 175.756 174.600 -0.002 0.000 0.997 280 S CA 1.080 59.264 58.200 -0.027 0.000 0.949 280 S CB 0.045 63.213 63.200 -0.054 0.000 0.766 280 S HN 0.135 nan 8.310 nan 0.000 0.517 281 D N 1.326 121.726 120.400 -0.001 0.000 2.249 281 D HA 0.237 4.876 4.640 -0.000 0.000 0.205 281 D C 1.785 178.123 176.300 0.064 0.000 0.962 281 D CA 0.514 54.527 54.000 0.022 0.000 0.860 281 D CB -0.159 40.643 40.800 0.004 0.000 0.955 281 D HN 0.441 nan 8.370 nan 0.000 0.505 282 I N 0.160 120.776 120.570 0.076 0.000 2.233 282 I HA -0.185 3.985 4.170 -0.000 0.000 0.243 282 I C 2.292 178.561 176.117 0.254 0.000 1.093 282 I CA 0.449 61.830 61.300 0.135 0.000 1.380 282 I CB -0.020 38.053 38.000 0.123 0.000 1.067 282 I HN -0.132 nan 8.210 nan 0.000 0.413 283 V N 1.262 121.304 119.914 0.214 0.000 2.233 283 V HA -0.349 3.771 4.120 -0.000 0.000 0.247 283 V C 2.752 179.081 176.094 0.392 0.000 1.050 283 V CA 2.238 64.700 62.300 0.268 0.000 1.010 283 V CB -1.107 30.740 31.823 0.040 0.000 0.637 283 V HN 0.502 nan 8.190 nan 0.000 0.444 284 A N -0.532 122.401 122.820 0.188 0.000 1.851 284 A HA -0.342 3.977 4.320 -0.000 0.000 0.216 284 A C 2.191 179.902 177.584 0.211 0.000 1.195 284 A CA 2.478 54.607 52.037 0.154 0.000 0.622 284 A CB -0.739 18.298 19.000 0.061 0.000 0.831 284 A HN 0.556 nan 8.150 nan 0.000 0.444 285 Q N -0.160 119.737 119.800 0.161 0.000 2.096 285 Q HA -0.061 4.279 4.340 -0.000 0.000 0.204 285 Q C 1.909 177.991 176.000 0.136 0.000 0.982 285 Q CA 2.244 58.118 55.803 0.118 0.000 0.850 285 Q CB -1.030 27.750 28.738 0.070 0.000 0.901 285 Q HN 0.528 nan 8.270 nan 0.000 0.422 286 G N -1.275 107.655 108.800 0.218 0.000 2.432 286 G HA2 -0.223 3.737 3.960 -0.000 0.000 0.219 286 G HA3 -0.223 3.737 3.960 -0.000 0.000 0.219 286 G C 0.987 175.941 174.900 0.090 0.000 1.135 286 G CA 0.569 45.717 45.100 0.080 0.000 0.767 286 G HN 0.408 nan 8.290 nan 0.000 0.550 287 F N 0.478 120.595 119.950 0.278 0.000 2.558 287 F HA 0.287 4.814 4.527 -0.000 0.000 0.298 287 F C 2.141 177.989 175.800 0.079 0.000 1.119 287 F CA 1.075 59.204 58.000 0.215 0.000 1.451 287 F CB 0.752 39.852 39.000 0.167 0.000 1.091 287 F HN 0.305 nan 8.300 nan 0.000 0.563 288 G N -1.377 107.542 108.800 0.200 0.000 4.373 288 G HA2 0.126 4.086 3.960 -0.000 0.000 0.195 288 G HA3 0.126 4.086 3.960 -0.000 0.000 0.195 288 G C -0.121 174.815 174.900 0.059 0.000 1.377 288 G CA 0.137 45.296 45.100 0.098 0.000 0.858 288 G HN 0.475 nan 8.290 nan 0.000 0.307 289 S N -0.895 114.845 115.700 0.067 0.000 2.586 289 S HA 0.489 4.959 4.470 -0.000 0.000 0.277 289 S C 0.624 175.247 174.600 0.039 0.000 1.131 289 S CA 0.072 58.291 58.200 0.033 0.000 0.848 289 S CB 0.737 63.934 63.200 -0.005 0.000 1.091 289 S HN 0.637 nan 8.310 nan 0.000 0.453 290 L N 1.882 123.125 121.223 0.033 0.000 2.261 290 L HA 0.089 4.429 4.340 -0.000 0.000 0.216 290 L C 2.545 179.481 176.870 0.111 0.000 1.114 290 L CA 1.745 56.622 54.840 0.061 0.000 0.777 290 L CB -0.643 41.443 42.059 0.044 0.000 0.910 290 L HN 0.976 nan 8.230 nan 0.000 0.440 291 G N -0.473 108.355 108.800 0.047 0.000 2.650 291 G HA2 0.032 3.992 3.960 -0.000 0.000 0.214 291 G HA3 0.032 3.992 3.960 -0.000 0.000 0.214 291 G C 0.844 175.769 174.900 0.041 0.000 1.136 291 G CA -0.072 45.068 45.100 0.067 0.000 0.789 291 G HN 0.243 nan 8.290 nan 0.000 0.536 292 L N 0.791 122.013 121.223 -0.001 0.000 2.603 292 L HA 0.632 4.972 4.340 -0.000 0.000 0.242 292 L C -0.324 176.484 176.870 -0.104 0.000 1.169 292 L CA -0.241 54.555 54.840 -0.075 0.000 1.029 292 L CB 0.623 42.645 42.059 -0.062 0.000 1.361 292 L HN 0.142 nan 8.230 nan 0.000 0.439 293 M N 1.496 121.028 119.600 -0.113 0.000 2.373 293 M HA 0.356 4.836 4.480 -0.000 0.000 0.290 293 M C -0.828 175.407 176.300 -0.109 0.000 1.143 293 M CA -0.296 54.927 55.300 -0.128 0.000 0.949 293 M CB 2.318 34.872 32.600 -0.075 0.000 1.756 293 M HN 0.269 nan 8.290 nan 0.000 0.494 294 T N 0.498 114.986 114.554 -0.111 0.000 2.918 294 T HA 0.736 5.086 4.350 -0.000 0.000 0.283 294 T C -0.338 174.349 174.700 -0.021 0.000 1.001 294 T CA -0.657 61.421 62.100 -0.036 0.000 1.041 294 T CB 1.614 70.484 68.868 0.003 0.000 1.028 294 T HN 0.671 nan 8.240 nan 0.000 0.511 295 S N 1.356 117.058 115.700 0.003 0.000 2.706 295 S HA 0.576 5.046 4.470 -0.000 0.000 0.270 295 S C -1.320 173.292 174.600 0.020 0.000 1.163 295 S CA -0.907 57.288 58.200 -0.008 0.000 1.042 295 S CB 0.228 63.395 63.200 -0.056 0.000 1.079 295 S HN 0.887 nan 8.310 nan 0.000 0.474 296 I N 4.856 125.460 120.570 0.056 0.000 2.569 296 I HA 0.593 4.763 4.170 -0.000 0.000 0.290 296 I C -1.607 174.550 176.117 0.067 0.000 1.088 296 I CA -1.130 60.226 61.300 0.093 0.000 1.047 296 I CB 1.622 39.726 38.000 0.173 0.000 1.237 296 I HN 0.665 nan 8.210 nan 0.000 0.421 297 L N 8.913 130.158 121.223 0.037 0.000 2.265 297 L HA 0.551 4.891 4.340 -0.000 0.000 0.288 297 L C -1.215 175.643 176.870 -0.020 0.000 1.058 297 L CA -0.082 54.731 54.840 -0.045 0.000 0.809 297 L CB 1.311 43.323 42.059 -0.078 0.000 1.179 297 L HN 0.365 nan 8.230 nan 0.000 0.429 298 V N 4.185 124.046 119.914 -0.088 0.000 2.384 298 V HA 0.474 4.594 4.120 -0.000 0.000 0.287 298 V C 0.522 176.495 176.094 -0.203 0.000 1.020 298 V CA -0.412 61.772 62.300 -0.193 0.000 0.850 298 V CB 1.487 33.328 31.823 0.031 0.000 0.987 298 V HN 0.903 nan 8.190 nan 0.000 0.436 299 T N 2.884 117.267 114.554 -0.285 0.000 2.828 299 T HA 0.275 4.625 4.350 -0.000 0.000 0.290 299 T C -1.679 172.956 174.700 -0.107 0.000 1.019 299 T CA -1.490 60.513 62.100 -0.162 0.000 1.031 299 T CB 1.165 69.941 68.868 -0.154 0.000 1.001 299 T HN 0.407 nan 8.240 nan 0.000 0.531 300 P HA -0.084 nan 4.420 nan 0.000 0.216 300 P C 0.806 178.087 177.300 -0.032 0.000 1.150 300 P CA 1.162 64.258 63.100 -0.007 0.000 0.843 300 P CB -0.102 31.602 31.700 0.007 0.000 0.787 301 D N -1.236 119.130 120.400 -0.057 0.000 2.127 301 D HA -0.092 4.548 4.640 -0.000 0.000 0.190 301 D C 1.640 177.907 176.300 -0.055 0.000 1.000 301 D CA 2.295 56.263 54.000 -0.054 0.000 0.839 301 D CB -0.866 39.896 40.800 -0.063 0.000 0.955 301 D HN 0.239 nan 8.370 nan 0.000 0.446 302 G N -0.511 108.211 108.800 -0.130 0.000 2.148 302 G HA2 -0.250 3.709 3.960 -0.000 0.000 0.203 302 G HA3 -0.250 3.709 3.960 -0.000 0.000 0.203 302 G C 0.615 175.452 174.900 -0.104 0.000 0.993 302 G CA 0.459 45.484 45.100 -0.125 0.000 0.661 302 G HN 0.486 nan 8.290 nan 0.000 0.518 303 K N -0.266 120.051 120.400 -0.138 0.000 2.506 303 K HA 0.405 4.724 4.320 -0.000 0.000 0.204 303 K C -0.264 176.343 176.600 0.010 0.000 1.045 303 K CA 0.040 56.351 56.287 0.039 0.000 1.074 303 K CB 0.909 33.441 32.500 0.053 0.000 0.842 303 K HN 0.171 nan 8.250 nan 0.000 0.514 304 T N 1.421 115.770 114.554 -0.341 0.000 2.991 304 T HA 0.549 4.899 4.350 -0.000 0.000 0.303 304 T C -1.415 173.002 174.700 -0.471 0.000 1.015 304 T CA -0.466 61.524 62.100 -0.183 0.000 1.007 304 T CB 0.713 69.517 68.868 -0.108 0.000 1.034 304 T HN 0.137 nan 8.240 nan 0.000 0.446 305 F N 0.947 120.910 119.950 0.022 0.000 2.599 305 F HA 0.617 5.144 4.527 -0.000 0.000 0.311 305 F C 0.155 175.949 175.800 -0.010 0.000 1.076 305 F CA -1.043 56.965 58.000 0.013 0.000 0.937 305 F CB 2.060 41.077 39.000 0.030 0.000 1.282 305 F HN 0.367 nan 8.300 nan 0.000 0.460 306 E N 1.780 122.077 120.200 0.161 0.000 2.279 306 E HA 0.299 4.649 4.350 -0.000 0.000 0.252 306 E C -1.625 175.002 176.600 0.045 0.000 0.894 306 E CA -0.247 56.186 56.400 0.055 0.000 0.785 306 E CB 1.900 31.590 29.700 -0.016 0.000 1.237 306 E HN 0.583 nan 8.360 nan 0.000 0.418 307 S N 3.773 119.489 115.700 0.027 0.000 2.541 307 S HA 0.418 4.888 4.470 -0.000 0.000 0.283 307 S C -0.550 174.042 174.600 -0.013 0.000 1.196 307 S CA -0.293 57.918 58.200 0.017 0.000 1.062 307 S CB 0.817 64.022 63.200 0.009 0.000 1.009 307 S HN 0.664 nan 8.310 nan 0.000 0.502 308 E N 1.949 122.145 120.200 -0.008 0.000 2.425 308 E HA 0.677 5.027 4.350 -0.000 0.000 0.272 308 E C -1.351 175.226 176.600 -0.037 0.000 1.061 308 E CA -1.271 55.114 56.400 -0.026 0.000 0.877 308 E CB 0.768 30.421 29.700 -0.079 0.000 1.590 308 E HN 0.614 nan 8.360 nan 0.000 0.462 309 A N -0.126 122.626 122.820 -0.113 0.000 2.269 309 A HA 0.733 5.053 4.320 -0.000 0.000 0.319 309 A C 0.526 177.948 177.584 -0.271 0.000 1.110 309 A CA 0.029 51.918 52.037 -0.246 0.000 0.847 309 A CB 1.138 19.792 19.000 -0.577 0.000 1.161 309 A HN 0.765 nan 8.150 nan 0.000 0.497 310 A N -0.160 122.516 122.820 -0.240 0.000 2.132 310 A HA 0.281 4.601 4.320 -0.000 0.000 0.213 310 A C 0.930 178.452 177.584 -0.104 0.000 1.154 310 A CA 1.153 53.106 52.037 -0.139 0.000 0.753 310 A CB -0.801 18.154 19.000 -0.075 0.000 0.826 310 A HN 1.069 nan 8.150 nan 0.000 0.469 311 H N -2.140 116.919 119.070 -0.018 0.000 2.509 311 H HA 0.670 5.226 4.556 -0.000 0.000 0.360 311 H C 0.851 176.161 175.328 -0.030 0.000 1.398 311 H CA -0.491 55.542 56.048 -0.025 0.000 1.429 311 H CB -0.073 29.675 29.762 -0.022 0.000 1.611 311 H HN 0.085 nan 8.280 nan 0.000 0.606 312 G N -1.482 107.455 108.800 0.229 0.000 2.695 312 G HA2 0.262 4.222 3.960 -0.000 0.000 0.213 312 G HA3 0.262 4.222 3.960 -0.000 0.000 0.213 312 G C 0.535 175.533 174.900 0.162 0.000 1.406 312 G CA -0.272 44.901 45.100 0.123 0.000 1.049 312 G HN 0.924 nan 8.290 nan 0.000 0.573 313 T N -1.944 112.634 114.554 0.040 0.000 3.194 313 T HA 0.141 4.490 4.350 -0.000 0.000 0.251 313 T C 0.843 175.532 174.700 -0.018 0.000 1.132 313 T CA 0.501 62.603 62.100 0.004 0.000 1.028 313 T CB -0.574 68.254 68.868 -0.067 0.000 0.976 313 T HN 1.372 nan 8.240 nan 0.000 0.535 314 V N 0.933 120.814 119.914 -0.056 0.000 5.578 314 V HA -0.297 3.823 4.120 -0.000 0.000 0.275 314 V C 1.692 177.756 176.094 -0.049 0.000 0.642 314 V CA 0.964 63.169 62.300 -0.158 0.000 0.613 314 V CB -3.495 28.174 31.823 -0.257 0.000 0.301 314 V HN 0.676 nan 8.190 nan 0.000 0.782 315 T N 0.194 114.755 114.554 0.011 0.000 2.624 315 T HA -0.281 4.068 4.350 -0.000 0.000 0.268 315 T C 1.891 176.698 174.700 0.178 0.000 1.041 315 T CA 2.335 64.507 62.100 0.119 0.000 1.159 315 T CB -0.226 68.700 68.868 0.096 0.000 0.863 315 T HN 0.733 nan 8.240 nan 0.000 0.434 316 R N 0.123 120.681 120.500 0.096 0.000 2.154 316 R HA -0.134 4.206 4.340 -0.000 0.000 0.248 316 R C 2.308 178.778 176.300 0.284 0.000 1.155 316 R CA 1.636 57.828 56.100 0.153 0.000 0.979 316 R CB -0.414 29.953 30.300 0.112 0.000 0.869 316 R HN 0.686 nan 8.270 nan 0.000 0.452 317 H N -2.174 116.960 119.070 0.107 0.000 2.448 317 H HA -0.077 4.479 4.556 -0.000 0.000 0.292 317 H C 1.594 177.030 175.328 0.181 0.000 1.035 317 H CA 0.625 56.739 56.048 0.110 0.000 1.349 317 H CB 0.081 29.887 29.762 0.072 0.000 1.425 317 H HN 0.169 nan 8.280 nan 0.000 0.539 318 Y N 2.447 122.869 120.300 0.203 0.000 2.128 318 Y HA -0.247 4.303 4.550 -0.000 0.000 0.284 318 Y C 2.233 178.271 175.900 0.229 0.000 1.154 318 Y CA 1.204 59.417 58.100 0.189 0.000 1.149 318 Y CB -0.050 38.493 38.460 0.138 0.000 0.976 318 Y HN -0.050 nan 8.280 nan 0.000 0.505 319 R N 0.844 121.468 120.500 0.207 0.000 2.103 319 R HA -0.176 4.164 4.340 -0.000 0.000 0.242 319 R C 2.148 178.467 176.300 0.031 0.000 1.142 319 R CA 1.678 57.828 56.100 0.084 0.000 0.960 319 R CB -0.762 29.607 30.300 0.115 0.000 0.858 319 R HN 0.427 nan 8.270 nan 0.000 0.439 320 K N -0.553 119.895 120.400 0.081 0.000 2.026 320 K HA -0.177 4.143 4.320 -0.000 0.000 0.208 320 K C 2.119 178.737 176.600 0.030 0.000 1.048 320 K CA 1.433 57.749 56.287 0.049 0.000 0.929 320 K CB -0.396 32.138 32.500 0.058 0.000 0.713 320 K HN 0.140 nan 8.250 nan 0.000 0.439 321 Y N 2.365 122.622 120.300 -0.072 0.000 2.151 321 Y HA -0.304 4.246 4.550 -0.000 0.000 0.284 321 Y C 2.202 177.998 175.900 -0.174 0.000 1.166 321 Y CA 1.691 59.727 58.100 -0.106 0.000 1.163 321 Y CB -0.236 38.157 38.460 -0.112 0.000 0.974 321 Y HN 0.118 nan 8.280 nan 0.000 0.511 322 Q N 0.349 120.001 119.800 -0.247 0.000 2.234 322 Q HA -0.196 4.144 4.340 -0.000 0.000 0.206 322 Q C 0.599 176.461 176.000 -0.229 0.000 0.980 322 Q CA 1.849 57.471 55.803 -0.302 0.000 0.869 322 Q CB -0.150 28.447 28.738 -0.235 0.000 0.912 322 Q HN 0.589 nan 8.270 nan 0.000 0.436 323 K N -1.230 119.072 120.400 -0.164 0.000 3.109 323 K HA 0.352 4.671 4.320 -0.000 0.000 0.214 323 K C 0.270 176.797 176.600 -0.122 0.000 1.196 323 K CA 0.172 56.387 56.287 -0.121 0.000 1.115 323 K CB 0.313 32.772 32.500 -0.068 0.000 1.103 323 K HN 0.069 nan 8.250 nan 0.000 0.467 324 G N 1.440 110.126 108.800 -0.189 0.000 2.416 324 G HA2 -0.314 3.646 3.960 -0.000 0.000 0.301 324 G HA3 -0.314 3.646 3.960 -0.000 0.000 0.301 324 G C -0.615 174.233 174.900 -0.088 0.000 0.985 324 G CA 0.485 45.489 45.100 -0.160 0.000 0.934 324 G HN 0.663 nan 8.290 nan 0.000 0.513 325 E N 0.184 120.346 120.200 -0.064 0.000 2.214 325 E HA 0.357 4.707 4.350 -0.000 0.000 0.274 325 E C 0.635 177.246 176.600 0.019 0.000 0.977 325 E CA -0.682 55.709 56.400 -0.016 0.000 0.827 325 E CB 0.901 30.597 29.700 -0.006 0.000 1.130 325 E HN 0.671 nan 8.360 nan 0.000 0.394 326 E N 1.546 121.764 120.200 0.031 0.000 2.384 326 E HA 0.123 4.473 4.350 -0.000 0.000 0.266 326 E C -0.671 175.971 176.600 0.070 0.000 1.012 326 E CA 0.059 56.495 56.400 0.060 0.000 0.901 326 E CB 0.682 30.415 29.700 0.055 0.000 0.967 326 E HN 0.179 nan 8.360 nan 0.000 0.435 327 T N 1.917 116.527 114.554 0.094 0.000 2.950 327 T HA 0.367 4.717 4.350 -0.000 0.000 0.288 327 T C -0.284 174.453 174.700 0.063 0.000 1.035 327 T CA -0.891 61.240 62.100 0.053 0.000 1.028 327 T CB 1.538 70.469 68.868 0.105 0.000 1.109 327 T HN 0.448 nan 8.240 nan 0.000 0.514 328 S N 1.282 116.962 115.700 -0.034 0.000 2.486 328 S HA 0.351 4.821 4.470 -0.000 0.000 0.144 328 S C -0.692 173.870 174.600 -0.063 0.000 1.542 328 S CA -0.532 57.663 58.200 -0.009 0.000 1.262 328 S CB -0.083 63.088 63.200 -0.048 0.000 1.462 328 S HN 0.663 nan 8.310 nan 0.000 0.381 329 T N 2.942 117.517 114.554 0.034 0.000 2.799 329 T HA 0.315 4.665 4.350 -0.000 0.000 0.286 329 T C 0.099 174.792 174.700 -0.011 0.000 0.973 329 T CA -0.376 61.780 62.100 0.093 0.000 1.035 329 T CB 0.765 69.735 68.868 0.171 0.000 0.932 329 T HN 0.622 nan 8.240 nan 0.000 0.469 330 N N 1.315 119.965 118.700 -0.083 0.000 2.475 330 N HA 0.068 4.808 4.740 -0.000 0.000 0.267 330 N C 0.895 176.378 175.510 -0.046 0.000 1.169 330 N CA -0.427 52.519 53.050 -0.172 0.000 0.947 330 N CB 0.464 38.851 38.487 -0.166 0.000 1.061 330 N HN 0.540 nan 8.380 nan 0.000 0.466 331 S N 3.019 118.720 115.700 0.001 0.000 2.539 331 S HA 0.117 4.587 4.470 -0.000 0.000 0.221 331 S C 1.663 176.420 174.600 0.261 0.000 0.987 331 S CA -0.435 57.882 58.200 0.194 0.000 0.929 331 S CB 0.012 63.379 63.200 0.277 0.000 0.832 331 S HN 0.561 nan 8.310 nan 0.000 0.492 332 I N 2.582 123.271 120.570 0.198 0.000 2.118 332 I HA -0.270 3.900 4.170 -0.000 0.000 0.241 332 I C 2.976 179.294 176.117 0.336 0.000 1.070 332 I CA 1.524 63.001 61.300 0.295 0.000 1.327 332 I CB -0.666 37.434 38.000 0.167 0.000 1.034 332 I HN 0.399 nan 8.210 nan 0.000 0.405 333 A N 0.393 123.357 122.820 0.241 0.000 1.908 333 A HA -0.219 4.101 4.320 -0.000 0.000 0.218 333 A C 2.494 180.250 177.584 0.286 0.000 1.181 333 A CA 2.352 54.518 52.037 0.215 0.000 0.627 333 A CB -0.811 18.302 19.000 0.190 0.000 0.818 333 A HN 0.442 nan 8.150 nan 0.000 0.445 334 S N -0.028 115.879 115.700 0.345 0.000 2.370 334 S HA -0.147 4.323 4.470 -0.000 0.000 0.226 334 S C 1.806 176.656 174.600 0.418 0.000 1.033 334 S CA 1.599 60.039 58.200 0.400 0.000 1.011 334 S CB -0.526 62.934 63.200 0.432 0.000 0.852 334 S HN 0.560 nan 8.310 nan 0.000 0.457 335 I N 0.152 120.933 120.570 0.352 0.000 2.163 335 I HA -0.145 4.025 4.170 -0.000 0.000 0.240 335 I C 1.945 178.210 176.117 0.246 0.000 1.081 335 I CA 1.273 62.730 61.300 0.261 0.000 1.353 335 I CB -0.403 37.706 38.000 0.182 0.000 1.054 335 I HN 0.167 nan 8.210 nan 0.000 0.407 336 F N 1.190 121.219 119.950 0.133 0.000 2.250 336 F HA -0.228 4.298 4.527 -0.000 0.000 0.301 336 F C 2.557 178.412 175.800 0.091 0.000 1.077 336 F CA 1.326 59.377 58.000 0.085 0.000 1.348 336 F CB -0.661 38.372 39.000 0.056 0.000 1.040 336 F HN 0.022 nan 8.300 nan 0.000 0.509 337 A N -0.845 122.148 122.820 0.288 0.000 1.902 337 A HA -0.221 4.099 4.320 -0.000 0.000 0.217 337 A C 1.995 179.619 177.584 0.067 0.000 1.181 337 A CA 1.661 53.794 52.037 0.161 0.000 0.623 337 A CB -1.320 17.788 19.000 0.179 0.000 0.818 337 A HN 0.511 nan 8.150 nan 0.000 0.443 338 W N 0.864 122.176 121.300 0.020 0.000 2.408 338 W HA -0.142 4.517 4.660 -0.000 0.000 0.311 338 W C 3.105 179.603 176.519 -0.035 0.000 1.190 338 W CA 2.224 59.544 57.345 -0.042 0.000 1.321 338 W CB -0.606 28.777 29.460 -0.130 0.000 1.143 338 W HN 0.473 nan 8.180 nan 0.000 0.501 339 S N 0.532 116.318 115.700 0.143 0.000 2.351 339 S HA -0.229 4.241 4.470 -0.000 0.000 0.220 339 S C 1.987 176.578 174.600 -0.016 0.000 1.035 339 S CA 1.169 59.352 58.200 -0.028 0.000 1.031 339 S CB -0.724 62.309 63.200 -0.278 0.000 0.928 339 S HN 0.090 nan 8.310 nan 0.000 0.433 340 R N 1.694 122.201 120.500 0.012 0.000 2.127 340 R HA 0.016 4.356 4.340 -0.000 0.000 0.238 340 R C 2.618 178.908 176.300 -0.016 0.000 1.134 340 R CA 1.398 57.511 56.100 0.022 0.000 0.975 340 R CB -1.850 28.503 30.300 0.089 0.000 0.865 340 R HN 0.656 nan 8.270 nan 0.000 0.447 341 G N 0.625 109.421 108.800 -0.007 0.000 2.404 341 G HA2 -0.172 3.788 3.960 -0.000 0.000 0.215 341 G HA3 -0.172 3.788 3.960 -0.000 0.000 0.215 341 G C 1.569 176.451 174.900 -0.030 0.000 1.174 341 G CA 0.183 45.257 45.100 -0.042 0.000 0.780 341 G HN 0.232 nan 8.290 nan 0.000 0.537 342 L N -0.056 121.188 121.223 0.036 0.000 2.275 342 L HA 0.104 4.444 4.340 -0.000 0.000 0.215 342 L C 2.753 179.635 176.870 0.021 0.000 1.119 342 L CA 0.108 54.992 54.840 0.073 0.000 0.790 342 L CB -0.242 41.926 42.059 0.183 0.000 0.919 342 L HN 0.166 nan 8.230 nan 0.000 0.443 343 L N -0.553 120.656 121.223 -0.023 0.000 2.056 343 L HA -0.176 4.164 4.340 -0.000 0.000 0.207 343 L C 2.710 179.515 176.870 -0.109 0.000 1.078 343 L CA 1.071 55.880 54.840 -0.052 0.000 0.749 343 L CB -0.257 41.766 42.059 -0.059 0.000 0.901 343 L HN 0.187 nan 8.230 nan 0.000 0.433 344 K N -0.233 120.047 120.400 -0.200 0.000 2.025 344 K HA -0.182 4.138 4.320 -0.000 0.000 0.207 344 K C 2.131 178.602 176.600 -0.214 0.000 1.049 344 K CA 1.023 57.082 56.287 -0.379 0.000 0.933 344 K CB -0.415 31.621 32.500 -0.774 0.000 0.714 344 K HN 0.021 nan 8.250 nan 0.000 0.438 345 R N 0.868 121.299 120.500 -0.115 0.000 2.139 345 R HA -0.112 4.228 4.340 -0.000 0.000 0.243 345 R C 2.100 178.396 176.300 -0.006 0.000 1.145 345 R CA 1.907 57.992 56.100 -0.024 0.000 0.976 345 R CB -1.031 29.280 30.300 0.020 0.000 0.866 345 R HN 0.338 nan 8.270 nan 0.000 0.449 346 G N -0.229 108.561 108.800 -0.015 0.000 2.394 346 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.215 346 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.215 346 G C 1.067 175.965 174.900 -0.004 0.000 1.165 346 G CA 0.592 45.694 45.100 0.004 0.000 0.784 346 G HN 0.494 nan 8.290 nan 0.000 0.535 347 E N 0.180 120.363 120.200 -0.028 0.000 2.208 347 E HA 0.044 4.394 4.350 -0.000 0.000 0.193 347 E C 2.432 179.037 176.600 0.008 0.000 0.988 347 E CA 0.231 56.623 56.400 -0.013 0.000 0.828 347 E CB -0.090 29.594 29.700 -0.028 0.000 0.763 347 E HN 0.383 nan 8.360 nan 0.000 0.478 348 L N 1.071 122.298 121.223 0.007 0.000 2.131 348 L HA -0.107 4.233 4.340 -0.000 0.000 0.206 348 L C 1.655 178.550 176.870 0.042 0.000 1.087 348 L CA 0.784 55.649 54.840 0.042 0.000 0.767 348 L CB -0.070 42.027 42.059 0.064 0.000 0.917 348 L HN 0.025 nan 8.230 nan 0.000 0.441 349 D N -0.714 119.707 120.400 0.035 0.000 2.333 349 D HA -0.091 4.549 4.640 -0.000 0.000 0.208 349 D C 0.442 176.759 176.300 0.029 0.000 0.984 349 D CA 0.350 54.371 54.000 0.036 0.000 0.873 349 D CB -0.001 40.822 40.800 0.039 0.000 0.935 349 D HN 0.169 nan 8.370 nan 0.000 0.521 350 N N 0.584 119.299 118.700 0.025 0.000 2.814 350 N HA -0.129 4.611 4.740 -0.000 0.000 0.247 350 N C -1.110 174.414 175.510 0.022 0.000 1.089 350 N CA 0.492 53.555 53.050 0.022 0.000 0.682 350 N CB -1.329 37.171 38.487 0.022 0.000 0.970 350 N HN 0.022 nan 8.380 nan 0.000 0.554 351 T N 1.301 115.869 114.554 0.024 0.000 3.254 351 T HA 0.241 4.590 4.350 -0.000 0.000 0.385 351 T C -1.204 173.514 174.700 0.031 0.000 1.528 351 T CA -0.978 61.138 62.100 0.027 0.000 1.212 351 T CB 1.618 70.504 68.868 0.031 0.000 1.145 351 T HN 0.148 nan 8.240 nan 0.000 0.631 352 P HA -0.181 nan 4.420 nan 0.000 0.216 352 P C 1.643 178.967 177.300 0.041 0.000 1.150 352 P CA 0.916 64.033 63.100 0.028 0.000 0.843 352 P CB 0.219 31.932 31.700 0.022 0.000 0.787 353 A N 0.485 123.332 122.820 0.044 0.000 1.917 353 A HA -0.189 4.131 4.320 -0.000 0.000 0.219 353 A C 2.461 180.104 177.584 0.098 0.000 1.182 353 A CA 1.553 53.626 52.037 0.061 0.000 0.633 353 A CB -1.667 17.360 19.000 0.045 0.000 0.819 353 A HN 0.180 nan 8.150 nan 0.000 0.448 354 L N -0.604 120.673 121.223 0.090 0.000 1.994 354 L HA -0.236 4.104 4.340 -0.000 0.000 0.208 354 L C 2.695 179.657 176.870 0.153 0.000 1.071 354 L CA 1.962 56.886 54.840 0.139 0.000 0.745 354 L CB -0.483 41.632 42.059 0.093 0.000 0.892 354 L HN 0.561 nan 8.230 nan 0.000 0.431 355 C N -0.038 119.308 119.300 0.075 0.000 2.413 355 C HA -0.197 4.263 4.460 -0.000 0.000 0.276 355 C C 2.685 177.685 174.990 0.015 0.000 1.248 355 C CA 0.857 59.894 59.018 0.032 0.000 1.742 355 C CB -0.883 26.864 27.740 0.012 0.000 2.017 355 C HN 0.461 nan 8.230 nan 0.000 0.481 356 K N 0.005 120.428 120.400 0.038 0.000 2.026 356 K HA -0.175 4.145 4.320 -0.000 0.000 0.208 356 K C 1.827 178.425 176.600 -0.002 0.000 1.048 356 K CA 1.676 57.973 56.287 0.017 0.000 0.929 356 K CB -0.455 32.070 32.500 0.041 0.000 0.713 356 K HN 0.536 nan 8.250 nan 0.000 0.439 357 F N 1.928 121.848 119.950 -0.051 0.000 2.046 357 F HA -0.245 4.282 4.527 -0.000 0.000 0.297 357 F C 2.242 177.975 175.800 -0.111 0.000 1.123 357 F CA 1.631 59.581 58.000 -0.083 0.000 1.199 357 F CB -0.763 38.204 39.000 -0.056 0.000 0.972 357 F HN -0.003 nan 8.300 nan 0.000 0.474 358 A N 0.677 123.277 122.820 -0.365 0.000 1.958 358 A HA -0.278 4.042 4.320 -0.000 0.000 0.221 358 A C 2.131 179.461 177.584 -0.424 0.000 1.178 358 A CA 2.141 53.920 52.037 -0.430 0.000 0.642 358 A CB -1.084 17.843 19.000 -0.121 0.000 0.816 358 A HN 0.626 nan 8.150 nan 0.000 0.453 359 N N -0.122 118.408 118.700 -0.284 0.000 2.171 359 N HA -0.058 4.682 4.740 -0.000 0.000 0.184 359 N C 1.699 177.047 175.510 -0.269 0.000 1.021 359 N CA 1.557 54.472 53.050 -0.226 0.000 0.854 359 N CB -0.365 38.047 38.487 -0.126 0.000 0.994 359 N HN 0.593 nan 8.380 nan 0.000 0.426 360 I N 1.186 121.571 120.570 -0.309 0.000 2.286 360 I HA -0.206 3.964 4.170 -0.000 0.000 0.248 360 I C 2.417 178.301 176.117 -0.388 0.000 1.115 360 I CA 0.618 61.742 61.300 -0.293 0.000 1.392 360 I CB -0.172 37.670 38.000 -0.263 0.000 1.065 360 I HN 0.118 nan 8.210 nan 0.000 0.418 361 L N 0.743 121.605 121.223 -0.603 0.000 2.017 361 L HA -0.238 4.102 4.340 -0.000 0.000 0.208 361 L C 2.551 179.154 176.870 -0.445 0.000 1.073 361 L CA 1.892 56.374 54.840 -0.597 0.000 0.745 361 L CB -0.272 41.316 42.059 -0.785 0.000 0.894 361 L HN 0.309 nan 8.230 nan 0.000 0.432 362 E N -1.028 118.869 120.200 -0.505 0.000 2.106 362 E HA -0.219 4.131 4.350 -0.000 0.000 0.192 362 E C 2.216 178.694 176.600 -0.203 0.000 0.984 362 E CA 1.295 57.349 56.400 -0.578 0.000 0.806 362 E CB -0.019 29.278 29.700 -0.673 0.000 0.750 362 E HN 0.389 nan 8.360 nan 0.000 0.458 363 S N 0.601 116.199 115.700 -0.171 0.000 2.353 363 S HA -0.214 4.256 4.470 -0.000 0.000 0.222 363 S C 2.160 176.719 174.600 -0.068 0.000 1.035 363 S CA 1.394 59.545 58.200 -0.082 0.000 1.025 363 S CB -0.220 62.920 63.200 -0.100 0.000 0.902 363 S HN 0.328 nan 8.310 nan 0.000 0.440 364 A N 0.410 123.155 122.820 -0.125 0.000 1.940 364 A HA -0.074 4.246 4.320 -0.000 0.000 0.219 364 A C 2.384 179.928 177.584 -0.068 0.000 1.176 364 A CA 2.353 54.324 52.037 -0.110 0.000 0.631 364 A CB -1.563 17.338 19.000 -0.165 0.000 0.814 364 A HN 0.631 nan 8.150 nan 0.000 0.446 365 T N 0.488 115.013 114.554 -0.048 0.000 2.737 365 T HA -0.056 4.294 4.350 -0.000 0.000 0.265 365 T C 1.814 176.622 174.700 0.181 0.000 1.038 365 T CA 1.469 63.609 62.100 0.068 0.000 1.144 365 T CB -0.358 68.595 68.868 0.142 0.000 0.866 365 T HN 0.385 nan 8.240 nan 0.000 0.434 366 L N 1.094 122.430 121.223 0.190 0.000 2.072 366 L HA -0.045 4.295 4.340 -0.000 0.000 0.205 366 L C 2.567 179.512 176.870 0.125 0.000 1.079 366 L CA 0.856 55.812 54.840 0.192 0.000 0.752 366 L CB -0.672 41.501 42.059 0.191 0.000 0.906 366 L HN 0.205 nan 8.230 nan 0.000 0.436 367 N N -0.162 118.580 118.700 0.071 0.000 2.205 367 N HA -0.145 4.595 4.740 -0.000 0.000 0.186 367 N C 1.771 177.306 175.510 0.042 0.000 1.015 367 N CA 1.762 54.838 53.050 0.042 0.000 0.862 367 N CB -0.337 38.155 38.487 0.009 0.000 0.986 367 N HN 0.328 nan 8.380 nan 0.000 0.429 368 T N 0.434 115.008 114.554 0.034 0.000 2.833 368 T HA -0.044 4.306 4.350 -0.000 0.000 0.269 368 T C 2.105 176.867 174.700 0.103 0.000 1.054 368 T CA 0.787 62.889 62.100 0.003 0.000 1.135 368 T CB -0.003 68.780 68.868 -0.142 0.000 0.869 368 T HN 0.023 nan 8.240 nan 0.000 0.466 369 V N 0.507 120.526 119.914 0.175 0.000 2.436 369 V HA -0.030 4.090 4.120 -0.000 0.000 0.240 369 V C 2.503 178.666 176.094 0.114 0.000 1.040 369 V CA 1.039 63.454 62.300 0.192 0.000 1.052 369 V CB -0.558 31.387 31.823 0.203 0.000 0.707 369 V HN 0.234 nan 8.190 nan 0.000 0.469 370 Q N 0.318 120.174 119.800 0.094 0.000 1.948 370 Q HA -0.205 4.135 4.340 -0.000 0.000 0.205 370 Q C 2.321 178.352 176.000 0.051 0.000 0.992 370 Q CA 2.145 57.988 55.803 0.066 0.000 0.849 370 Q CB -0.311 28.462 28.738 0.059 0.000 0.918 370 Q HN 0.577 nan 8.270 nan 0.000 0.421 371 Q N -0.074 119.751 119.800 0.041 0.000 2.036 371 Q HA -0.055 4.284 4.340 -0.000 0.000 0.195 371 Q C 1.753 177.770 176.000 0.027 0.000 0.971 371 Q CA 1.484 57.304 55.803 0.028 0.000 0.826 371 Q CB -0.314 28.433 28.738 0.017 0.000 0.896 371 Q HN 0.524 nan 8.270 nan 0.000 0.449 372 D N -0.135 120.280 120.400 0.026 0.000 2.224 372 D HA -0.001 4.639 4.640 -0.000 0.000 0.205 372 D C 1.019 177.342 176.300 0.038 0.000 0.965 372 D CA 1.211 55.224 54.000 0.022 0.000 0.852 372 D CB -0.119 40.684 40.800 0.006 0.000 0.947 372 D HN 0.486 nan 8.370 nan 0.000 0.494 373 G N 0.820 109.655 108.800 0.059 0.000 2.147 373 G HA2 -0.289 3.671 3.960 -0.000 0.000 0.244 373 G HA3 -0.289 3.671 3.960 -0.000 0.000 0.244 373 G C 0.088 175.048 174.900 0.099 0.000 1.005 373 G CA -0.075 45.068 45.100 0.073 0.000 0.713 373 G HN 0.358 nan 8.290 nan 0.000 0.515 374 I N 1.409 122.053 120.570 0.124 0.000 2.307 374 I HA 0.622 4.792 4.170 -0.000 0.000 0.289 374 I C 0.706 177.029 176.117 0.343 0.000 1.021 374 I CA -0.466 60.939 61.300 0.175 0.000 1.224 374 I CB 0.941 39.002 38.000 0.100 0.000 1.376 374 I HN 0.370 nan 8.210 nan 0.000 0.470 375 M N 3.701 123.484 119.600 0.304 0.000 2.593 375 M HA 0.634 5.114 4.480 -0.000 0.000 0.290 375 M C -0.573 175.833 176.300 0.178 0.000 1.244 375 M CA -0.712 54.738 55.300 0.250 0.000 0.857 375 M CB 2.118 34.794 32.600 0.128 0.000 1.738 375 M HN 0.348 nan 8.290 nan 0.000 0.461 376 T N -0.998 113.525 114.554 -0.051 0.000 2.788 376 T HA 0.224 4.574 4.350 -0.000 0.000 0.287 376 T C 0.823 175.452 174.700 -0.118 0.000 1.007 376 T CA -0.689 61.374 62.100 -0.061 0.000 1.005 376 T CB 1.376 70.106 68.868 -0.230 0.000 1.012 376 T HN 0.907 nan 8.240 nan 0.000 0.530 377 K N 0.769 120.933 120.400 -0.393 0.000 2.152 377 K HA -0.207 4.113 4.320 -0.000 0.000 0.206 377 K C 1.875 178.262 176.600 -0.356 0.000 1.048 377 K CA 1.897 57.708 56.287 -0.793 0.000 0.933 377 K CB -0.326 31.338 32.500 -1.393 0.000 0.721 377 K HN 0.798 nan 8.250 nan 0.000 0.447 378 D N 1.012 121.275 120.400 -0.228 0.000 2.104 378 D HA -0.243 4.397 4.640 -0.000 0.000 0.194 378 D C 2.011 178.255 176.300 -0.093 0.000 0.994 378 D CA 1.298 55.220 54.000 -0.130 0.000 0.830 378 D CB -0.676 40.069 40.800 -0.090 0.000 0.959 378 D HN 0.310 nan 8.370 nan 0.000 0.452 379 L N 0.398 121.569 121.223 -0.086 0.000 2.201 379 L HA -0.017 4.323 4.340 -0.000 0.000 0.212 379 L C 2.873 179.735 176.870 -0.013 0.000 1.105 379 L CA 0.947 55.762 54.840 -0.041 0.000 0.775 379 L CB -0.488 41.549 42.059 -0.037 0.000 0.913 379 L HN 0.082 nan 8.230 nan 0.000 0.440 380 A N 0.232 123.044 122.820 -0.013 0.000 1.897 380 A HA -0.076 4.243 4.320 -0.000 0.000 0.215 380 A C 2.171 179.765 177.584 0.016 0.000 1.181 380 A CA 0.975 53.034 52.037 0.037 0.000 0.620 380 A CB -0.512 18.560 19.000 0.120 0.000 0.821 380 A HN 0.350 nan 8.150 nan 0.000 0.443 381 L N -0.694 120.512 121.223 -0.027 0.000 2.465 381 L HA -0.102 4.237 4.340 -0.000 0.000 0.224 381 L C 2.800 179.660 176.870 -0.017 0.000 1.145 381 L CA 0.553 55.379 54.840 -0.023 0.000 0.834 381 L CB -0.399 41.629 42.059 -0.051 0.000 0.944 381 L HN 0.482 nan 8.230 nan 0.000 0.451 382 A N -0.822 121.989 122.820 -0.016 0.000 1.898 382 A HA -0.157 4.163 4.320 -0.000 0.000 0.214 382 A C 2.287 179.867 177.584 -0.006 0.000 1.183 382 A CA 1.219 53.249 52.037 -0.013 0.000 0.622 382 A CB -0.842 18.154 19.000 -0.007 0.000 0.824 382 A HN 0.493 nan 8.150 nan 0.000 0.444 383 C N -1.416 117.887 119.300 0.006 0.000 2.432 383 C HA 0.342 4.801 4.460 -0.000 0.000 0.282 383 C C 2.008 177.003 174.990 0.008 0.000 1.388 383 C CA 0.630 59.654 59.018 0.011 0.000 1.777 383 C CB -0.999 26.755 27.740 0.023 0.000 1.882 383 C HN 1.134 nan 8.230 nan 0.000 0.520 384 G N 0.836 109.641 108.800 0.008 0.000 2.138 384 G HA2 -0.178 3.781 3.960 -0.000 0.000 0.193 384 G HA3 -0.178 3.781 3.960 -0.000 0.000 0.193 384 G C -0.426 174.486 174.900 0.020 0.000 0.998 384 G CA -0.339 44.766 45.100 0.008 0.000 0.668 384 G HN 0.503 nan 8.290 nan 0.000 0.516 385 N N 1.312 120.032 118.700 0.034 0.000 2.500 385 N HA 0.226 4.966 4.740 -0.000 0.000 0.236 385 N C 0.854 176.406 175.510 0.071 0.000 1.022 385 N CA -0.521 52.559 53.050 0.051 0.000 0.935 385 N CB 0.796 39.322 38.487 0.066 0.000 1.147 385 N HN 0.200 nan 8.380 nan 0.000 0.512 386 N N 1.418 120.153 118.700 0.058 0.000 2.250 386 N HA -0.098 4.642 4.740 -0.000 0.000 0.181 386 N C 0.016 175.588 175.510 0.104 0.000 1.017 386 N CA 0.446 53.539 53.050 0.071 0.000 0.866 386 N CB 0.237 38.751 38.487 0.044 0.000 0.985 386 N HN 0.670 nan 8.380 nan 0.000 0.429 387 E N 1.566 121.809 120.200 0.071 0.000 2.760 387 E HA -0.151 4.199 4.350 -0.000 0.000 0.268 387 E C 0.787 177.418 176.600 0.052 0.000 0.935 387 E CA 0.030 56.458 56.400 0.048 0.000 0.960 387 E CB 0.824 30.539 29.700 0.026 0.000 0.931 387 E HN -0.026 nan 8.360 nan 0.000 0.483 388 R N 2.587 123.075 120.500 -0.021 0.000 2.092 388 R HA -0.120 4.220 4.340 -0.000 0.000 0.231 388 R C 1.948 178.039 176.300 -0.348 0.000 1.119 388 R CA 1.736 57.717 56.100 -0.199 0.000 0.970 388 R CB -0.866 29.338 30.300 -0.160 0.000 0.864 388 R HN 0.771 nan 8.270 nan 0.000 0.440 389 S N -0.467 115.133 115.700 -0.166 0.000 2.584 389 S HA -0.004 4.466 4.470 -0.000 0.000 0.240 389 S C 1.798 176.344 174.600 -0.090 0.000 0.975 389 S CA 0.771 58.892 58.200 -0.132 0.000 0.949 389 S CB -0.075 63.086 63.200 -0.066 0.000 0.761 389 S HN 0.332 nan 8.310 nan 0.000 0.536 390 A N 0.555 123.343 122.820 -0.053 0.000 2.072 390 A HA 0.349 4.668 4.320 -0.000 0.000 0.216 390 A C 0.692 178.359 177.584 0.137 0.000 1.156 390 A CA 0.240 52.314 52.037 0.062 0.000 0.701 390 A CB -0.377 18.701 19.000 0.130 0.000 0.816 390 A HN 0.840 nan 8.150 nan 0.000 0.458 391 Y N -2.862 117.455 120.300 0.028 0.000 2.605 391 Y HA 0.662 5.212 4.550 -0.000 0.000 0.343 391 Y C -0.144 175.785 175.900 0.050 0.000 1.036 391 Y CA -1.435 56.689 58.100 0.039 0.000 1.065 391 Y CB 0.777 39.249 38.460 0.021 0.000 1.288 391 Y HN 0.141 nan 8.280 nan 0.000 0.481 392 V N -1.120 118.943 119.914 0.248 0.000 3.488 392 V HA 0.822 4.942 4.120 -0.000 0.000 0.291 392 V C 0.127 176.375 176.094 0.257 0.000 1.163 392 V CA -0.305 62.096 62.300 0.169 0.000 0.971 392 V CB 0.938 32.871 31.823 0.183 0.000 1.245 392 V HN 1.121 nan 8.190 nan 0.000 0.456 393 T N -3.522 111.146 114.554 0.191 0.000 2.943 393 T HA 0.355 4.705 4.350 -0.000 0.000 0.284 393 T C 1.036 175.857 174.700 0.202 0.000 1.015 393 T CA 0.364 62.576 62.100 0.187 0.000 1.042 393 T CB 0.992 69.939 68.868 0.132 0.000 1.055 393 T HN 0.819 nan 8.240 nan 0.000 0.500 394 T N 1.693 116.348 114.554 0.169 0.000 2.624 394 T HA -0.214 4.136 4.350 -0.000 0.000 0.266 394 T C 1.625 176.446 174.700 0.203 0.000 1.050 394 T CA 2.341 64.543 62.100 0.171 0.000 1.163 394 T CB -0.541 68.410 68.868 0.138 0.000 0.861 394 T HN 0.803 nan 8.240 nan 0.000 0.443 395 E N 0.860 121.159 120.200 0.164 0.000 2.072 395 E HA -0.042 4.308 4.350 -0.000 0.000 0.190 395 E C 2.353 179.027 176.600 0.124 0.000 0.982 395 E CA 0.922 57.404 56.400 0.137 0.000 0.803 395 E CB -0.223 29.548 29.700 0.118 0.000 0.755 395 E HN 0.590 nan 8.360 nan 0.000 0.453 396 E N -0.097 120.181 120.200 0.130 0.000 2.085 396 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 396 E C 1.794 178.455 176.600 0.101 0.000 0.994 396 E CA 0.965 57.425 56.400 0.101 0.000 0.801 396 E CB -0.236 29.525 29.700 0.101 0.000 0.743 396 E HN 0.213 nan 8.360 nan 0.000 0.453 397 F N 1.194 121.182 119.950 0.063 0.000 2.126 397 F HA -0.189 4.338 4.527 -0.000 0.000 0.299 397 F C 1.873 177.704 175.800 0.052 0.000 1.096 397 F CA 1.281 59.319 58.000 0.062 0.000 1.255 397 F CB -0.062 38.983 39.000 0.076 0.000 0.997 397 F HN -0.077 nan 8.300 nan 0.000 0.479 398 L N -0.197 121.060 121.223 0.056 0.000 2.217 398 L HA -0.170 4.170 4.340 -0.000 0.000 0.211 398 L C 2.030 178.847 176.870 -0.088 0.000 1.107 398 L CA 0.988 55.816 54.840 -0.020 0.000 0.783 398 L CB -0.672 41.449 42.059 0.102 0.000 0.919 398 L HN 0.071 nan 8.230 nan 0.000 0.442 399 D N 0.065 120.430 120.400 -0.058 0.000 2.103 399 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 399 D C 2.284 178.522 176.300 -0.103 0.000 0.978 399 D CA 1.433 55.401 54.000 -0.054 0.000 0.829 399 D CB -0.069 40.719 40.800 -0.021 0.000 0.981 399 D HN 0.269 nan 8.370 nan 0.000 0.464 400 A N 0.854 123.583 122.820 -0.152 0.000 1.917 400 A HA -0.182 4.138 4.320 -0.000 0.000 0.219 400 A C 2.547 179.992 177.584 -0.231 0.000 1.182 400 A CA 1.548 53.475 52.037 -0.183 0.000 0.633 400 A CB -0.873 17.996 19.000 -0.218 0.000 0.819 400 A HN 0.157 nan 8.150 nan 0.000 0.448 401 V N 0.035 119.736 119.914 -0.354 0.000 2.407 401 V HA -0.275 3.845 4.120 -0.000 0.000 0.248 401 V C 2.532 178.533 176.094 -0.155 0.000 1.055 401 V CA 2.344 64.470 62.300 -0.290 0.000 1.049 401 V CB -0.730 30.898 31.823 -0.326 0.000 0.662 401 V HN 0.826 nan 8.190 nan 0.000 0.455 402 E N 0.345 120.477 120.200 -0.114 0.000 2.051 402 E HA -0.270 4.079 4.350 -0.000 0.000 0.192 402 E C 2.308 178.890 176.600 -0.030 0.000 0.991 402 E CA 1.548 57.922 56.400 -0.042 0.000 0.799 402 E CB -0.123 29.566 29.700 -0.018 0.000 0.748 402 E HN 0.524 nan 8.360 nan 0.000 0.449 403 K N 0.417 120.786 120.400 -0.051 0.000 1.977 403 K HA -0.243 4.076 4.320 -0.000 0.000 0.218 403 K C 2.472 179.046 176.600 -0.043 0.000 1.051 403 K CA 1.940 58.203 56.287 -0.040 0.000 0.953 403 K CB -0.264 32.206 32.500 -0.049 0.000 0.727 403 K HN 0.027 nan 8.250 nan 0.000 0.445 404 R N 1.059 121.520 120.500 -0.066 0.000 2.139 404 R HA -0.129 4.211 4.340 -0.000 0.000 0.243 404 R C 2.374 178.629 176.300 -0.075 0.000 1.145 404 R CA 1.040 57.099 56.100 -0.068 0.000 0.976 404 R CB -0.239 30.012 30.300 -0.081 0.000 0.866 404 R HN 0.293 nan 8.270 nan 0.000 0.449 405 L N 0.676 121.849 121.223 -0.084 0.000 2.017 405 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 405 L C 2.156 178.978 176.870 -0.080 0.000 1.073 405 L CA 1.794 56.562 54.840 -0.120 0.000 0.745 405 L CB -0.354 41.627 42.059 -0.129 0.000 0.894 405 L HN 0.420 nan 8.230 nan 0.000 0.432 406 Q N -0.357 119.448 119.800 0.008 0.000 2.045 406 Q HA -0.250 4.090 4.340 -0.000 0.000 0.206 406 Q C 2.126 178.123 176.000 -0.005 0.000 0.991 406 Q CA 1.607 57.441 55.803 0.052 0.000 0.851 406 Q CB -0.181 28.585 28.738 0.047 0.000 0.911 406 Q HN 0.418 nan 8.270 nan 0.000 0.418 407 K N 1.431 121.815 120.400 -0.027 0.000 1.978 407 K HA -0.170 4.150 4.320 -0.000 0.000 0.214 407 K C 1.718 178.293 176.600 -0.041 0.000 1.049 407 K CA 1.437 57.703 56.287 -0.035 0.000 0.939 407 K CB -0.590 31.889 32.500 -0.036 0.000 0.721 407 K HN 0.357 nan 8.250 nan 0.000 0.441 408 E N 0.523 120.691 120.200 -0.054 0.000 2.526 408 E HA -0.087 4.263 4.350 -0.000 0.000 0.205 408 E C 1.264 177.828 176.600 -0.059 0.000 1.104 408 E CA 0.287 56.651 56.400 -0.060 0.000 0.899 408 E CB -0.225 29.426 29.700 -0.081 0.000 0.838 408 E HN 0.355 nan 8.360 nan 0.000 0.564 409 I N -0.115 120.428 120.570 -0.046 0.000 4.018 409 I HA 0.003 4.173 4.170 -0.000 0.000 0.337 409 I C 1.134 177.250 176.117 -0.002 0.000 1.327 409 I CA 0.043 61.333 61.300 -0.017 0.000 1.100 409 I CB 0.237 38.241 38.000 0.007 0.000 1.025 409 I HN -0.119 nan 8.210 nan 0.000 0.396 410 K N 1.460 121.847 120.400 -0.023 0.000 2.504 410 K HA 0.127 4.447 4.320 -0.000 0.000 0.199 410 K C 0.471 177.068 176.600 -0.006 0.000 1.028 410 K CA 0.034 56.302 56.287 -0.032 0.000 1.164 410 K CB 0.214 32.685 32.500 -0.048 0.000 0.877 410 K HN 0.357 nan 8.250 nan 0.000 0.508 411 S N 0.000 115.703 115.700 0.005 0.000 2.498 411 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 411 S CA 0.000 58.208 58.200 0.013 0.000 1.107 411 S CB 0.000 63.200 63.200 -0.000 0.000 0.593 411 S HN 0.000 nan 8.310 nan 0.000 0.517