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 1e1z_1_P DATA FIRST_RESID 19 DATA SEQUENCE RPPNIVLIFA DDLGYGDLGC YGHPSSTTPN LDQLAAGGLR FTDFYVPVSL DATA SEQUENCE STPSRAALLT GRLPVRMGMY PGVLVPSSRG GLPLEEVTVA EVLAARGYLT DATA SEQUENCE GMAGKWHLGV GPEGAFLPPH QGFHRFLGIP YSHDQGPcQN LTcFPPATPc DATA SEQUENCE DGGcDQGLVP IPLLANLSVE AQPPWLPGLE ARYMAFAHDL MADAQRQDRP DATA SEQUENCE FFLYYASHHT HYPQFSGQSF AERSGRGPFG DSLMELDAAV GTLMTAIGDL DATA SEQUENCE GLLEETLVIF TADNGPETMR MSRGGCSGLL RcGKGTTYEG GVREPALAFW DATA SEQUENCE PGHIAPGVTH ELASSLDLLP TLAALAGAPL PNVTLDGFDL SPLLLGTGKS DATA SEQUENCE PRQSLFFYPS YPDEVRGVFA VRTGKYKAHF FTQGSAHSDT TADPAcHASS DATA SEQUENCE SLTAHEPPLL YDLSKDPGEN YNLLGXXXXA TPEVLQALKQ LQLLKAQLDA DATA SEQUENCE AVTFGPSQVA RGEDPALQIc cHPGcTPRPA ccHcP 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 19 R HA 0.000 nan 4.340 nan 0.000 0.208 19 R C 0.000 176.325 176.300 0.042 0.000 0.893 19 R CA 0.000 56.118 56.100 0.029 0.000 0.921 19 R CB 0.000 30.324 30.300 0.040 0.000 0.687 20 P HA 0.255 nan 4.420 nan 0.000 0.264 20 P C -2.683 174.605 177.300 -0.021 0.000 1.183 20 P CA -0.583 62.543 63.100 0.043 0.000 0.763 20 P CB 0.538 32.269 31.700 0.051 0.000 0.807 21 P HA 0.093 nan 4.420 nan 0.000 0.274 21 P C -0.235 176.947 177.300 -0.196 0.000 1.237 21 P CA -0.291 62.715 63.100 -0.156 0.000 0.793 21 P CB 0.669 32.107 31.700 -0.438 0.000 0.977 22 N N 1.320 119.802 118.700 -0.362 0.000 2.518 22 N HA 0.197 4.938 4.740 0.001 0.000 0.266 22 N C -0.009 175.256 175.510 -0.407 0.000 1.196 22 N CA 0.186 52.850 53.050 -0.643 0.000 0.947 22 N CB 0.471 38.170 38.487 -1.313 0.000 1.098 22 N HN 0.377 nan 8.380 nan 0.000 0.450 23 I N 1.151 121.611 120.570 -0.183 0.000 2.436 23 I HA 0.224 4.395 4.170 0.001 0.000 0.289 23 I C -0.340 175.941 176.117 0.273 0.000 1.010 23 I CA -0.934 60.403 61.300 0.061 0.000 1.098 23 I CB 2.140 40.230 38.000 0.150 0.000 1.266 23 I HN 0.081 nan 8.210 nan 0.000 0.434 24 V N 8.313 128.362 119.914 0.226 0.000 2.407 24 V HA 0.503 4.623 4.120 0.001 0.000 0.291 24 V C -1.409 174.828 176.094 0.239 0.000 1.018 24 V CA -0.603 61.853 62.300 0.259 0.000 0.842 24 V CB 1.714 33.704 31.823 0.279 0.000 0.996 24 V HN 0.556 nan 8.190 nan 0.000 0.426 25 L N 8.629 130.001 121.223 0.248 0.000 2.283 25 L HA 0.628 4.969 4.340 0.001 0.000 0.281 25 L C -0.447 176.596 176.870 0.288 0.000 1.033 25 L CA 0.021 55.028 54.840 0.278 0.000 0.848 25 L CB 0.748 43.022 42.059 0.358 0.000 1.226 25 L HN 0.623 nan 8.230 nan 0.000 0.429 26 I N 4.801 125.537 120.570 0.276 0.000 2.315 26 I HA 0.241 4.411 4.170 0.001 0.000 0.291 26 I C -0.890 175.315 176.117 0.148 0.000 1.006 26 I CA -0.315 61.144 61.300 0.264 0.000 1.265 26 I CB 0.892 39.157 38.000 0.441 0.000 1.387 26 I HN 0.442 nan 8.210 nan 0.000 0.475 27 F N 6.164 126.012 119.950 -0.170 0.000 2.434 27 F HA 0.637 5.164 4.527 0.001 0.000 0.355 27 F C 0.381 176.001 175.800 -0.300 0.000 1.115 27 F CA -0.970 56.901 58.000 -0.215 0.000 1.010 27 F CB 1.031 40.022 39.000 -0.015 0.000 1.234 27 F HN 0.492 nan 8.300 nan 0.000 0.439 28 A N 3.166 125.710 122.820 -0.460 0.000 2.259 28 A HA 0.518 4.838 4.320 0.001 0.000 0.278 28 A C -0.839 176.508 177.584 -0.395 0.000 1.107 28 A CA -0.334 51.492 52.037 -0.351 0.000 0.828 28 A CB 0.363 19.219 19.000 -0.239 0.000 1.111 28 A HN 0.575 nan 8.150 nan 0.000 0.498 29 D N -0.212 120.074 120.400 -0.189 0.000 2.502 29 D HA 0.411 5.052 4.640 0.001 0.000 0.249 29 D C -1.217 175.113 176.300 0.050 0.000 1.092 29 D CA 0.135 54.088 54.000 -0.080 0.000 0.839 29 D CB 0.774 41.596 40.800 0.037 0.000 1.264 29 D HN 0.460 nan 8.370 nan 0.000 0.511 30 D N 1.767 122.193 120.400 0.043 0.000 2.737 30 D HA -0.216 4.424 4.640 0.001 0.000 0.238 30 D C -0.788 175.590 176.300 0.130 0.000 1.157 30 D CA 0.473 54.532 54.000 0.098 0.000 0.694 30 D CB -0.917 39.977 40.800 0.157 0.000 1.021 30 D HN 0.248 nan 8.370 nan 0.000 0.420 31 L N -0.157 121.104 121.223 0.063 0.000 2.356 31 L HA 0.716 5.057 4.340 0.001 0.000 0.277 31 L C 0.637 177.545 176.870 0.064 0.000 0.996 31 L CA -0.320 54.588 54.840 0.113 0.000 0.822 31 L CB 1.950 44.043 42.059 0.056 0.000 1.256 31 L HN 0.055 nan 8.230 nan 0.000 0.413 32 G N 2.087 110.941 108.800 0.091 0.000 2.522 32 G HA2 0.123 4.084 3.960 0.001 0.000 0.304 32 G HA3 0.123 4.084 3.960 0.001 0.000 0.304 32 G C 0.009 174.935 174.900 0.042 0.000 1.210 32 G CA -0.171 44.972 45.100 0.071 0.000 0.960 32 G HN 0.742 nan 8.290 nan 0.000 0.497 33 Y N 0.277 120.533 120.300 -0.074 0.000 2.256 33 Y HA -0.077 4.474 4.550 0.001 0.000 0.288 33 Y C 2.396 178.260 175.900 -0.060 0.000 1.155 33 Y CA 2.277 60.295 58.100 -0.137 0.000 1.203 33 Y CB 0.184 38.617 38.460 -0.046 0.000 0.980 33 Y HN 0.443 nan 8.280 nan 0.000 0.530 34 G N -1.494 107.402 108.800 0.160 0.000 3.434 34 G HA2 -0.002 3.958 3.960 0.001 0.000 0.258 34 G HA3 -0.002 3.958 3.960 0.001 0.000 0.258 34 G C 0.887 175.909 174.900 0.203 0.000 1.128 34 G CA 0.208 45.420 45.100 0.187 0.000 0.792 34 G HN 0.270 nan 8.290 nan 0.000 0.539 35 D N 0.457 120.913 120.400 0.094 0.000 2.213 35 D HA 0.053 4.693 4.640 0.001 0.000 0.205 35 D C 1.392 177.732 176.300 0.068 0.000 0.961 35 D CA 0.197 54.238 54.000 0.069 0.000 0.853 35 D CB 0.441 41.310 40.800 0.115 0.000 0.967 35 D HN 0.256 nan 8.370 nan 0.000 0.496 36 L N 0.205 121.479 121.223 0.085 0.000 2.453 36 L HA 0.197 4.538 4.340 0.001 0.000 0.261 36 L C 2.080 179.041 176.870 0.152 0.000 1.179 36 L CA -0.290 54.615 54.840 0.108 0.000 0.813 36 L CB 0.748 42.904 42.059 0.162 0.000 1.110 36 L HN -0.033 nan 8.230 nan 0.000 0.466 37 G N 0.445 109.303 108.800 0.097 0.000 2.440 37 G HA2 -0.270 3.690 3.960 0.001 0.000 0.218 37 G HA3 -0.270 3.690 3.960 0.001 0.000 0.218 37 G C 1.445 176.395 174.900 0.084 0.000 1.154 37 G CA 1.075 46.231 45.100 0.093 0.000 0.767 37 G HN 0.899 nan 8.290 nan 0.000 0.552 38 C N -1.935 117.409 119.300 0.074 0.000 2.522 38 C HA 0.344 4.804 4.460 0.001 0.000 0.271 38 C C 1.833 176.781 174.990 -0.071 0.000 1.425 38 C CA -0.504 58.513 59.018 -0.001 0.000 1.751 38 C CB -1.487 26.237 27.740 -0.026 0.000 1.775 38 C HN 0.335 nan 8.230 nan 0.000 0.557 39 Y N 1.251 121.534 120.300 -0.028 0.000 2.507 39 Y HA 0.433 4.984 4.550 0.001 0.000 0.254 39 Y C 1.982 177.877 175.900 -0.008 0.000 1.171 39 Y CA 0.572 58.626 58.100 -0.077 0.000 1.238 39 Y CB 0.053 38.385 38.460 -0.214 0.000 1.148 39 Y HN 0.443 nan 8.280 nan 0.000 0.525 40 G N -0.991 107.886 108.800 0.128 0.000 2.184 40 G HA2 -0.257 3.703 3.960 0.001 0.000 0.206 40 G HA3 -0.257 3.703 3.960 0.001 0.000 0.206 40 G C 0.131 175.087 174.900 0.094 0.000 0.995 40 G CA -0.226 44.928 45.100 0.091 0.000 0.651 40 G HN 0.415 nan 8.290 nan 0.000 0.511 41 H N 2.247 121.359 119.070 0.071 0.000 2.897 41 H HA 0.224 4.781 4.556 0.001 0.000 0.347 41 H C -0.899 174.454 175.328 0.042 0.000 1.068 41 H CA 0.286 56.368 56.048 0.057 0.000 1.426 41 H CB 1.659 31.460 29.762 0.065 0.000 1.410 41 H HN 0.156 nan 8.280 nan 0.000 0.597 42 P HA -0.019 nan 4.420 nan 0.000 0.240 42 P C 0.712 178.070 177.300 0.097 0.000 1.190 42 P CA 0.691 63.767 63.100 -0.040 0.000 0.781 42 P CB 0.561 32.187 31.700 -0.124 0.000 0.931 43 S N -3.434 112.457 115.700 0.320 0.000 2.651 43 S HA 0.171 4.641 4.470 0.001 0.000 0.259 43 S C 0.863 175.581 174.600 0.197 0.000 1.073 43 S CA -0.225 58.104 58.200 0.215 0.000 1.090 43 S CB -0.500 62.807 63.200 0.179 0.000 1.042 43 S HN -0.123 nan 8.310 nan 0.000 0.581 44 S N 2.542 118.391 115.700 0.248 0.000 2.559 44 S HA 0.296 4.767 4.470 0.001 0.000 0.282 44 S C -0.121 174.502 174.600 0.039 0.000 1.336 44 S CA 0.297 58.516 58.200 0.033 0.000 1.037 44 S CB 0.468 63.638 63.200 -0.051 0.000 0.853 44 S HN 0.479 nan 8.310 nan 0.000 0.523 45 T N 2.465 117.016 114.554 -0.005 0.000 2.947 45 T HA 0.445 4.796 4.350 0.001 0.000 0.337 45 T C 0.149 174.822 174.700 -0.045 0.000 1.139 45 T CA -0.630 61.464 62.100 -0.009 0.000 0.992 45 T CB 0.325 69.193 68.868 0.001 0.000 1.043 45 T HN 0.708 nan 8.240 nan 0.000 0.498 46 T N 0.294 114.822 114.554 -0.043 0.000 3.658 46 T HA 0.288 4.639 4.350 0.001 0.000 0.245 46 T C -1.997 172.660 174.700 -0.072 0.000 1.292 46 T CA -1.356 60.695 62.100 -0.082 0.000 1.598 46 T CB 0.893 69.706 68.868 -0.091 0.000 0.861 46 T HN 0.139 nan 8.240 nan 0.000 0.663 47 P HA -0.118 nan 4.420 nan 0.000 0.217 47 P C 1.028 178.289 177.300 -0.065 0.000 1.150 47 P CA 1.220 64.295 63.100 -0.042 0.000 0.832 47 P CB 0.065 31.752 31.700 -0.021 0.000 0.787 48 N N -0.119 118.529 118.700 -0.086 0.000 2.142 48 N HA -0.059 4.682 4.740 0.001 0.000 0.186 48 N C 1.909 177.322 175.510 -0.162 0.000 1.023 48 N CA 0.773 53.754 53.050 -0.114 0.000 0.852 48 N CB -0.739 37.681 38.487 -0.110 0.000 0.998 48 N HN 0.100 nan 8.380 nan 0.000 0.424 49 L N 0.578 121.683 121.223 -0.198 0.000 2.141 49 L HA -0.104 4.237 4.340 0.001 0.000 0.209 49 L C 1.344 178.129 176.870 -0.143 0.000 1.094 49 L CA 0.857 55.546 54.840 -0.253 0.000 0.763 49 L CB -0.267 41.552 42.059 -0.400 0.000 0.908 49 L HN 0.120 nan 8.230 nan 0.000 0.437 50 D N -0.252 120.093 120.400 -0.092 0.000 2.144 50 D HA -0.192 4.448 4.640 0.001 0.000 0.199 50 D C 2.260 178.533 176.300 -0.044 0.000 0.984 50 D CA 1.071 55.042 54.000 -0.048 0.000 0.834 50 D CB -0.046 40.737 40.800 -0.030 0.000 0.955 50 D HN 0.381 nan 8.370 nan 0.000 0.465 51 Q N -0.300 119.461 119.800 -0.065 0.000 2.137 51 Q HA 0.059 4.399 4.340 0.001 0.000 0.198 51 Q C 2.342 178.292 176.000 -0.083 0.000 0.960 51 Q CA 0.366 56.137 55.803 -0.053 0.000 0.847 51 Q CB 0.117 28.821 28.738 -0.057 0.000 0.915 51 Q HN 0.289 nan 8.270 nan 0.000 0.448 52 L N -0.061 121.055 121.223 -0.178 0.000 2.201 52 L HA -0.145 4.195 4.340 0.001 0.000 0.212 52 L C 2.345 179.233 176.870 0.031 0.000 1.105 52 L CA 0.813 55.506 54.840 -0.246 0.000 0.775 52 L CB -0.482 41.386 42.059 -0.319 0.000 0.913 52 L HN 0.228 nan 8.230 nan 0.000 0.440 53 A N 0.059 122.892 122.820 0.021 0.000 1.897 53 A HA -0.070 4.250 4.320 0.001 0.000 0.215 53 A C 2.509 180.138 177.584 0.075 0.000 1.181 53 A CA 1.353 53.431 52.037 0.068 0.000 0.620 53 A CB -0.524 18.486 19.000 0.018 0.000 0.821 53 A HN 0.362 nan 8.150 nan 0.000 0.443 54 A N -0.766 122.084 122.820 0.050 0.000 2.070 54 A HA 0.196 4.517 4.320 0.001 0.000 0.220 54 A C 1.849 179.495 177.584 0.104 0.000 1.159 54 A CA 1.590 53.660 52.037 0.054 0.000 0.656 54 A CB -0.700 18.320 19.000 0.034 0.000 0.800 54 A HN 0.881 nan 8.150 nan 0.000 0.453 55 G N -1.468 107.449 108.800 0.195 0.000 3.805 55 G HA2 0.498 4.458 3.960 0.001 0.000 0.290 55 G HA3 0.498 4.458 3.960 0.001 0.000 0.290 55 G C 0.302 175.401 174.900 0.332 0.000 1.077 55 G CA 0.585 45.846 45.100 0.269 0.000 0.852 55 G HN 0.821 nan 8.290 nan 0.000 0.531 56 G N -0.506 108.454 108.800 0.268 0.000 2.911 56 G HA2 0.490 4.451 3.960 0.001 0.000 0.299 56 G HA3 0.490 4.451 3.960 0.001 0.000 0.299 56 G C -1.788 173.204 174.900 0.152 0.000 1.283 56 G CA -0.782 44.482 45.100 0.274 0.000 0.805 56 G HN 0.247 nan 8.290 nan 0.000 0.548 57 L N 0.925 122.243 121.223 0.157 0.000 2.265 57 L HA 0.644 4.985 4.340 0.001 0.000 0.289 57 L C 0.467 177.406 176.870 0.115 0.000 1.033 57 L CA -0.730 54.139 54.840 0.048 0.000 0.814 57 L CB 1.006 43.053 42.059 -0.019 0.000 1.203 57 L HN 0.512 nan 8.230 nan 0.000 0.423 58 R N 4.361 124.885 120.500 0.039 0.000 2.255 58 R HA 0.424 4.765 4.340 0.001 0.000 0.326 58 R C -1.314 175.051 176.300 0.108 0.000 0.986 58 R CA -0.507 55.671 56.100 0.130 0.000 0.847 58 R CB 0.489 30.788 30.300 -0.001 0.000 1.111 58 R HN 0.417 nan 8.270 nan 0.000 0.452 59 F N 2.503 122.554 119.950 0.167 0.000 2.420 59 F HA 0.163 4.691 4.527 0.001 0.000 0.352 59 F C 1.696 177.693 175.800 0.328 0.000 1.108 59 F CA -0.403 57.737 58.000 0.234 0.000 1.162 59 F CB 1.915 41.096 39.000 0.302 0.000 1.118 59 F HN 0.588 nan 8.300 nan 0.000 0.510 60 T N -3.001 111.839 114.554 0.478 0.000 3.057 60 T HA 0.078 4.428 4.350 0.001 0.000 0.254 60 T C 0.163 175.188 174.700 0.542 0.000 1.094 60 T CA 0.369 62.792 62.100 0.538 0.000 1.088 60 T CB -0.225 68.953 68.868 0.517 0.000 0.934 60 T HN 0.385 nan 8.240 nan 0.000 0.497 61 D N 0.666 121.355 120.400 0.481 0.000 2.739 61 D HA 0.400 5.041 4.640 0.001 0.000 0.335 61 D C -1.477 175.044 176.300 0.370 0.000 1.216 61 D CA -0.487 53.719 54.000 0.343 0.000 0.808 61 D CB 0.096 41.134 40.800 0.396 0.000 1.121 61 D HN 0.349 nan 8.370 nan 0.000 0.499 62 F N 1.163 121.172 119.950 0.098 0.000 2.480 62 F HA 0.610 5.137 4.527 0.001 0.000 0.329 62 F C -1.205 174.512 175.800 -0.139 0.000 1.091 62 F CA -0.664 57.381 58.000 0.076 0.000 0.972 62 F CB 0.924 39.919 39.000 -0.009 0.000 1.150 62 F HN -0.064 nan 8.300 nan 0.000 0.467 63 Y N 3.386 123.536 120.300 -0.250 0.000 2.576 63 Y HA 0.601 5.151 4.550 0.001 0.000 0.346 63 Y C -0.579 175.270 175.900 -0.085 0.000 1.018 63 Y CA -1.155 56.933 58.100 -0.020 0.000 1.050 63 Y CB 1.959 40.484 38.460 0.107 0.000 1.280 63 Y HN 0.540 nan 8.280 nan 0.000 0.474 64 V N -0.275 119.821 119.914 0.303 0.000 2.732 64 V HA 0.566 4.686 4.120 0.001 0.000 0.310 64 V C -2.411 173.867 176.094 0.307 0.000 1.053 64 V CA -2.246 60.198 62.300 0.240 0.000 0.957 64 V CB 1.851 33.817 31.823 0.239 0.000 1.018 64 V HN 0.665 nan 8.190 nan 0.000 0.452 65 P HA 0.147 nan 4.420 nan 0.000 0.230 65 P C 0.103 177.567 177.300 0.274 0.000 1.168 65 P CA 0.447 63.655 63.100 0.180 0.000 0.793 65 P CB 0.466 32.197 31.700 0.052 0.000 0.851 66 V N -0.229 119.803 119.914 0.197 0.000 2.733 66 V HA 0.247 4.368 4.120 0.001 0.000 0.306 66 V C 0.266 176.422 176.094 0.103 0.000 1.084 66 V CA -0.516 61.868 62.300 0.140 0.000 0.905 66 V CB 1.969 33.823 31.823 0.053 0.000 1.010 66 V HN -0.100 nan 8.190 nan 0.000 0.424 67 S N 5.876 121.627 115.700 0.086 0.000 2.945 67 S HA 0.591 5.061 4.470 0.001 0.000 0.227 67 S C -0.440 174.161 174.600 0.001 0.000 1.353 67 S CA -0.177 58.058 58.200 0.058 0.000 1.236 67 S CB -0.805 62.441 63.200 0.078 0.000 1.069 67 S HN 0.522 nan 8.310 nan 0.000 0.509 68 L N 0.175 121.386 121.223 -0.019 0.000 2.409 68 L HA 0.456 4.797 4.340 0.001 0.000 0.255 68 L C 1.219 178.060 176.870 -0.048 0.000 1.027 68 L CA -0.669 54.132 54.840 -0.064 0.000 0.834 68 L CB 1.599 43.607 42.059 -0.086 0.000 1.426 68 L HN 0.264 nan 8.230 nan 0.000 0.411 69 S N 0.019 115.693 115.700 -0.043 0.000 2.344 69 S HA -0.151 4.319 4.470 0.001 0.000 0.217 69 S C 1.599 176.127 174.600 -0.119 0.000 1.033 69 S CA 2.407 60.601 58.200 -0.009 0.000 1.017 69 S CB 0.019 63.319 63.200 0.165 0.000 0.941 69 S HN 0.799 nan 8.310 nan 0.000 0.430 70 T N 3.338 117.676 114.554 -0.359 0.000 2.622 70 T HA -0.052 4.298 4.350 0.001 0.000 0.266 70 T C -0.703 173.856 174.700 -0.235 0.000 1.047 70 T CA 1.802 63.660 62.100 -0.404 0.000 1.159 70 T CB -1.448 67.103 68.868 -0.528 0.000 0.863 70 T HN 0.543 nan 8.240 nan 0.000 0.422 71 P HA -0.072 nan 4.420 nan 0.000 0.216 71 P C 1.804 179.060 177.300 -0.072 0.000 1.150 71 P CA 1.209 64.227 63.100 -0.137 0.000 0.837 71 P CB -0.083 31.543 31.700 -0.123 0.000 0.786 72 S N -0.449 115.243 115.700 -0.014 0.000 2.368 72 S HA -0.105 4.365 4.470 0.001 0.000 0.224 72 S C 2.160 176.832 174.600 0.121 0.000 1.029 72 S CA 0.935 59.189 58.200 0.090 0.000 0.988 72 S CB -0.550 62.734 63.200 0.139 0.000 0.838 72 S HN 0.023 nan 8.310 nan 0.000 0.462 73 R N 0.669 121.224 120.500 0.092 0.000 2.096 73 R HA 0.041 4.382 4.340 0.001 0.000 0.235 73 R C 2.600 178.824 176.300 -0.126 0.000 1.127 73 R CA 1.296 57.420 56.100 0.039 0.000 0.968 73 R CB -0.526 29.781 30.300 0.011 0.000 0.861 73 R HN 0.470 nan 8.270 nan 0.000 0.440 74 A N 1.058 123.781 122.820 -0.162 0.000 1.902 74 A HA -0.121 4.200 4.320 0.001 0.000 0.217 74 A C 2.344 179.844 177.584 -0.140 0.000 1.181 74 A CA 1.714 53.643 52.037 -0.180 0.000 0.623 74 A CB -0.715 18.171 19.000 -0.189 0.000 0.818 74 A HN 0.400 nan 8.150 nan 0.000 0.443 75 A N -0.498 122.260 122.820 -0.103 0.000 1.898 75 A HA -0.011 4.310 4.320 0.001 0.000 0.216 75 A C 2.163 179.686 177.584 -0.102 0.000 1.181 75 A CA 1.667 53.651 52.037 -0.088 0.000 0.620 75 A CB -0.643 18.332 19.000 -0.041 0.000 0.819 75 A HN 0.742 nan 8.150 nan 0.000 0.442 76 L N -0.346 120.808 121.223 -0.115 0.000 2.046 76 L HA -0.085 4.255 4.340 0.001 0.000 0.208 76 L C 2.157 178.897 176.870 -0.217 0.000 1.077 76 L CA 1.753 56.478 54.840 -0.192 0.000 0.747 76 L CB -0.272 41.550 42.059 -0.394 0.000 0.896 76 L HN 0.386 nan 8.230 nan 0.000 0.432 77 L N -1.166 119.927 121.223 -0.216 0.000 2.270 77 L HA -0.031 4.310 4.340 0.001 0.000 0.210 77 L C 2.094 178.872 176.870 -0.153 0.000 1.104 77 L CA 1.269 55.993 54.840 -0.194 0.000 0.804 77 L CB -0.761 41.213 42.059 -0.142 0.000 0.937 77 L HN 0.511 nan 8.230 nan 0.000 0.450 78 T N -4.823 109.648 114.554 -0.138 0.000 3.001 78 T HA 0.198 4.549 4.350 0.001 0.000 0.251 78 T C 1.464 176.089 174.700 -0.124 0.000 1.040 78 T CA 0.452 62.478 62.100 -0.123 0.000 0.985 78 T CB 0.629 69.430 68.868 -0.112 0.000 1.011 78 T HN 0.339 nan 8.240 nan 0.000 0.509 79 G N 1.664 110.389 108.800 -0.125 0.000 2.203 79 G HA2 -0.281 3.679 3.960 0.001 0.000 0.263 79 G HA3 -0.281 3.679 3.960 0.001 0.000 0.263 79 G C 0.007 174.832 174.900 -0.124 0.000 1.012 79 G CA 0.303 45.330 45.100 -0.121 0.000 0.749 79 G HN 0.725 nan 8.290 nan 0.000 0.512 80 R N -1.403 119.025 120.500 -0.119 0.000 2.807 80 R HA 0.677 5.017 4.340 0.001 0.000 0.276 80 R C 0.482 176.708 176.300 -0.123 0.000 0.979 80 R CA -1.028 54.998 56.100 -0.122 0.000 0.928 80 R CB 1.255 31.483 30.300 -0.121 0.000 1.191 80 R HN 0.145 nan 8.270 nan 0.000 0.471 81 L N 3.639 124.785 121.223 -0.129 0.000 2.490 81 L HA 0.107 4.448 4.340 0.001 0.000 0.274 81 L C -1.362 175.381 176.870 -0.210 0.000 1.201 81 L CA -1.211 53.542 54.840 -0.145 0.000 0.869 81 L CB 0.674 42.650 42.059 -0.138 0.000 1.123 81 L HN 0.436 nan 8.230 nan 0.000 0.484 82 P HA -0.130 nan 4.420 nan 0.000 0.222 82 P C 1.506 178.629 177.300 -0.294 0.000 1.147 82 P CA 0.686 63.652 63.100 -0.222 0.000 0.790 82 P CB 0.034 31.619 31.700 -0.191 0.000 0.780 83 V N -2.225 117.362 119.914 -0.544 0.000 2.809 83 V HA -0.112 4.008 4.120 0.001 0.000 0.256 83 V C 2.200 178.045 176.094 -0.415 0.000 1.080 83 V CA 1.134 62.986 62.300 -0.746 0.000 1.102 83 V CB -1.373 29.418 31.823 -1.720 0.000 0.705 83 V HN -0.012 nan 8.190 nan 0.000 0.475 84 R N 1.321 121.637 120.500 -0.307 0.000 2.096 84 R HA 0.032 4.373 4.340 0.001 0.000 0.235 84 R C 1.883 178.117 176.300 -0.109 0.000 1.127 84 R CA 1.863 57.861 56.100 -0.171 0.000 0.968 84 R CB -0.350 29.865 30.300 -0.141 0.000 0.861 84 R HN 0.655 nan 8.270 nan 0.000 0.440 85 M N -1.399 118.128 119.600 -0.122 0.000 2.771 85 M HA 0.317 4.797 4.480 0.001 0.000 0.341 85 M C 0.320 176.545 176.300 -0.125 0.000 1.226 85 M CA 0.514 55.752 55.300 -0.104 0.000 0.955 85 M CB 0.482 33.017 32.600 -0.109 0.000 1.318 85 M HN 0.250 nan 8.290 nan 0.000 0.514 86 G N 2.116 110.861 108.800 -0.093 0.000 2.168 86 G HA2 -0.212 3.748 3.960 0.001 0.000 0.257 86 G HA3 -0.212 3.748 3.960 0.001 0.000 0.257 86 G C 0.010 174.682 174.900 -0.380 0.000 0.997 86 G CA 0.356 45.314 45.100 -0.237 0.000 0.708 86 G HN 0.528 nan 8.290 nan 0.000 0.520 87 M N 0.464 119.936 119.600 -0.214 0.000 3.586 87 M HA 0.495 4.976 4.480 0.001 0.000 0.225 87 M C 0.095 176.294 176.300 -0.168 0.000 1.428 87 M CA -0.824 54.330 55.300 -0.243 0.000 1.613 87 M CB -1.723 30.748 32.600 -0.215 0.000 1.063 87 M HN 0.594 nan 8.290 nan 0.000 0.593 88 Y N -0.804 119.335 120.300 -0.269 0.000 2.741 88 Y HA 0.819 5.369 4.550 0.001 0.000 0.339 88 Y C -3.352 172.407 175.900 -0.235 0.000 1.226 88 Y CA -2.356 55.571 58.100 -0.289 0.000 1.072 88 Y CB 0.369 38.641 38.460 -0.313 0.000 1.331 88 Y HN 0.078 nan 8.280 nan 0.000 0.453 89 P HA 0.442 nan 4.420 nan 0.000 0.293 89 P C 0.623 177.649 177.300 -0.457 0.000 1.304 89 P CA 0.979 63.913 63.100 -0.276 0.000 0.767 89 P CB 0.747 32.146 31.700 -0.502 0.000 1.247 90 G N -1.087 107.295 108.800 -0.697 0.000 2.574 90 G HA2 -0.104 3.857 3.960 0.001 0.000 0.295 90 G HA3 -0.104 3.857 3.960 0.001 0.000 0.295 90 G C -0.212 174.555 174.900 -0.220 0.000 1.300 90 G CA 0.700 45.580 45.100 -0.367 0.000 0.944 90 G HN 0.784 nan 8.290 nan 0.000 0.551 91 V N -2.554 117.273 119.914 -0.147 0.000 3.046 91 V HA 0.835 4.956 4.120 0.001 0.000 0.316 91 V C 0.743 176.748 176.094 -0.147 0.000 1.104 91 V CA -1.234 60.939 62.300 -0.213 0.000 1.006 91 V CB 1.647 33.356 31.823 -0.189 0.000 1.058 91 V HN 0.955 nan 8.190 nan 0.000 0.440 92 L N 2.105 123.212 121.223 -0.194 0.000 2.436 92 L HA 0.660 5.001 4.340 0.001 0.000 0.265 92 L C 0.198 177.139 176.870 0.118 0.000 1.168 92 L CA -0.305 54.518 54.840 -0.030 0.000 0.815 92 L CB 1.400 43.456 42.059 -0.006 0.000 1.109 92 L HN 0.819 nan 8.230 nan 0.000 0.462 93 V N -0.871 119.062 119.914 0.031 0.000 3.113 93 V HA 0.468 4.588 4.120 0.001 0.000 0.316 93 V C -2.245 173.764 176.094 -0.142 0.000 1.125 93 V CA -1.601 60.662 62.300 -0.063 0.000 1.026 93 V CB 1.248 33.040 31.823 -0.052 0.000 1.080 93 V HN 0.490 nan 8.190 nan 0.000 0.444 94 P HA -0.075 nan 4.420 nan 0.000 0.216 94 P C 1.383 178.670 177.300 -0.021 0.000 1.150 94 P CA 1.827 64.738 63.100 -0.314 0.000 0.843 94 P CB 0.092 31.493 31.700 -0.497 0.000 0.787 95 S N -1.493 114.194 115.700 -0.022 0.000 2.593 95 S HA 0.087 4.558 4.470 0.001 0.000 0.217 95 S C 0.772 175.400 174.600 0.047 0.000 0.966 95 S CA 0.028 58.244 58.200 0.027 0.000 0.914 95 S CB -0.617 62.591 63.200 0.014 0.000 0.776 95 S HN 0.083 nan 8.310 nan 0.000 0.523 96 S N 1.963 117.693 115.700 0.049 0.000 2.537 96 S HA 0.133 4.604 4.470 0.001 0.000 0.286 96 S C 1.306 175.966 174.600 0.099 0.000 1.299 96 S CA -0.231 58.000 58.200 0.052 0.000 1.067 96 S CB 0.567 63.789 63.200 0.036 0.000 0.864 96 S HN 0.426 nan 8.310 nan 0.000 0.494 97 R N 2.102 122.653 120.500 0.084 0.000 2.119 97 R HA 0.028 4.369 4.340 0.001 0.000 0.222 97 R C 1.431 177.854 176.300 0.205 0.000 1.088 97 R CA 0.571 56.752 56.100 0.135 0.000 0.984 97 R CB -0.276 30.077 30.300 0.089 0.000 0.884 97 R HN 0.658 nan 8.270 nan 0.000 0.447 98 G N -0.137 108.699 108.800 0.059 0.000 2.616 98 G HA2 0.467 4.428 3.960 0.001 0.000 0.268 98 G HA3 0.467 4.428 3.960 0.001 0.000 0.268 98 G C -0.351 174.316 174.900 -0.389 0.000 1.213 98 G CA 0.096 45.142 45.100 -0.090 0.000 0.926 98 G HN 0.329 nan 8.290 nan 0.000 0.523 99 G N -1.577 106.699 108.800 -0.873 0.000 2.576 99 G HA2 0.501 4.462 3.960 0.001 0.000 0.290 99 G HA3 0.501 4.462 3.960 0.001 0.000 0.290 99 G C -1.335 173.084 174.900 -0.802 0.000 1.442 99 G CA -0.933 43.465 45.100 -1.171 0.000 0.792 99 G HN 0.953 nan 8.290 nan 0.000 0.491 100 L N 1.856 122.788 121.223 -0.485 0.000 2.654 100 L HA 0.312 4.652 4.340 0.001 0.000 0.271 100 L C -1.748 175.035 176.870 -0.147 0.000 1.169 100 L CA -0.915 53.768 54.840 -0.261 0.000 0.947 100 L CB -0.283 41.678 42.059 -0.164 0.000 1.232 100 L HN 0.198 nan 8.230 nan 0.000 0.486 101 P HA -0.112 nan 4.420 nan 0.000 0.264 101 P C 0.896 178.262 177.300 0.110 0.000 1.173 101 P CA 0.341 63.469 63.100 0.046 0.000 0.761 101 P CB 0.485 32.188 31.700 0.004 0.000 0.794 102 L N 2.115 123.446 121.223 0.181 0.000 2.191 102 L HA -0.205 4.135 4.340 0.001 0.000 0.212 102 L C 2.273 179.188 176.870 0.075 0.000 1.103 102 L CA 1.506 56.434 54.840 0.146 0.000 0.769 102 L CB -0.673 41.457 42.059 0.118 0.000 0.908 102 L HN 0.339 nan 8.230 nan 0.000 0.438 103 E N -1.494 118.736 120.200 0.050 0.000 2.204 103 E HA -0.082 4.269 4.350 0.001 0.000 0.194 103 E C 0.662 177.264 176.600 0.004 0.000 0.989 103 E CA 0.377 56.788 56.400 0.019 0.000 0.824 103 E CB -0.643 29.062 29.700 0.009 0.000 0.756 103 E HN 0.439 nan 8.360 nan 0.000 0.477 104 E N 0.560 120.762 120.200 0.003 0.000 2.413 104 E HA 0.165 4.515 4.350 0.001 0.000 0.263 104 E C -0.288 176.302 176.600 -0.018 0.000 1.015 104 E CA -0.054 56.334 56.400 -0.020 0.000 0.916 104 E CB 1.379 31.061 29.700 -0.031 0.000 0.947 104 E HN 0.090 nan 8.360 nan 0.000 0.440 105 V N 3.453 123.341 119.914 -0.043 0.000 2.370 105 V HA 0.176 4.296 4.120 0.001 0.000 0.279 105 V C 0.776 176.820 176.094 -0.083 0.000 1.029 105 V CA -0.579 61.686 62.300 -0.059 0.000 0.870 105 V CB 1.173 32.956 31.823 -0.068 0.000 0.984 105 V HN 0.771 nan 8.190 nan 0.000 0.451 106 T N 1.560 116.059 114.554 -0.091 0.000 2.862 106 T HA 0.396 4.746 4.350 0.001 0.000 0.276 106 T C 1.296 175.877 174.700 -0.199 0.000 0.974 106 T CA -0.177 61.854 62.100 -0.115 0.000 0.966 106 T CB 1.588 70.419 68.868 -0.062 0.000 1.072 106 T HN 0.295 nan 8.240 nan 0.000 0.538 107 V N 0.436 120.207 119.914 -0.239 0.000 2.407 107 V HA -0.022 4.099 4.120 0.001 0.000 0.248 107 V C 3.147 178.955 176.094 -0.476 0.000 1.055 107 V CA 1.697 63.785 62.300 -0.353 0.000 1.049 107 V CB -2.099 29.456 31.823 -0.448 0.000 0.662 107 V HN 1.028 nan 8.190 nan 0.000 0.455 108 A N 0.155 122.688 122.820 -0.480 0.000 1.930 108 A HA -0.200 4.120 4.320 0.001 0.000 0.217 108 A C 2.219 179.538 177.584 -0.442 0.000 1.175 108 A CA 1.770 53.444 52.037 -0.605 0.000 0.627 108 A CB -0.492 17.723 19.000 -1.308 0.000 0.815 108 A HN 0.618 nan 8.150 nan 0.000 0.443 109 E N -0.478 119.521 120.200 -0.335 0.000 2.077 109 E HA -0.126 4.224 4.350 0.001 0.000 0.193 109 E C 1.964 178.456 176.600 -0.180 0.000 0.989 109 E CA 1.256 57.530 56.400 -0.211 0.000 0.800 109 E CB -0.246 29.368 29.700 -0.143 0.000 0.746 109 E HN 0.372 nan 8.360 nan 0.000 0.452 110 V N 0.979 120.760 119.914 -0.222 0.000 2.343 110 V HA -0.229 3.892 4.120 0.001 0.000 0.247 110 V C 2.029 178.001 176.094 -0.205 0.000 1.051 110 V CA 1.289 63.470 62.300 -0.199 0.000 1.036 110 V CB -0.207 31.479 31.823 -0.228 0.000 0.654 110 V HN 0.234 nan 8.190 nan 0.000 0.451 111 L N -0.210 120.824 121.223 -0.315 0.000 2.270 111 L HA 0.142 4.482 4.340 0.001 0.000 0.210 111 L C 2.464 179.328 176.870 -0.010 0.000 1.104 111 L CA 1.765 56.407 54.840 -0.330 0.000 0.804 111 L CB -1.425 40.164 42.059 -0.784 0.000 0.937 111 L HN 0.278 nan 8.230 nan 0.000 0.450 112 A N -0.423 122.380 122.820 -0.028 0.000 1.898 112 A HA -0.067 4.254 4.320 0.001 0.000 0.216 112 A C 2.410 180.060 177.584 0.110 0.000 1.181 112 A CA 1.407 53.503 52.037 0.097 0.000 0.620 112 A CB -0.721 18.271 19.000 -0.013 0.000 0.819 112 A HN 0.324 nan 8.150 nan 0.000 0.442 113 A N -0.987 121.853 122.820 0.034 0.000 2.125 113 A HA 0.126 4.447 4.320 0.001 0.000 0.219 113 A C 2.133 179.747 177.584 0.050 0.000 1.156 113 A CA 1.920 53.976 52.037 0.031 0.000 0.671 113 A CB -0.646 18.351 19.000 -0.005 0.000 0.794 113 A HN 0.757 nan 8.150 nan 0.000 0.459 114 R N -1.084 119.467 120.500 0.085 0.000 2.509 114 R HA 0.457 4.798 4.340 0.001 0.000 0.300 114 R C 1.390 177.766 176.300 0.126 0.000 0.985 114 R CA 0.951 57.112 56.100 0.102 0.000 1.092 114 R CB -1.334 29.037 30.300 0.118 0.000 1.237 114 R HN 1.822 nan 8.270 nan 0.000 0.546 115 G N -0.587 108.293 108.800 0.133 0.000 2.132 115 G HA2 -0.240 3.721 3.960 0.001 0.000 0.228 115 G HA3 -0.240 3.721 3.960 0.001 0.000 0.228 115 G C -0.081 174.895 174.900 0.126 0.000 1.000 115 G CA 0.102 45.265 45.100 0.105 0.000 0.693 115 G HN 0.527 nan 8.290 nan 0.000 0.515 116 Y N -0.966 119.385 120.300 0.085 0.000 2.346 116 Y HA 0.486 5.036 4.550 0.001 0.000 0.330 116 Y C 0.861 176.905 175.900 0.240 0.000 1.178 116 Y CA -0.646 57.529 58.100 0.125 0.000 1.331 116 Y CB 1.032 39.545 38.460 0.089 0.000 1.253 116 Y HN 0.223 nan 8.280 nan 0.000 0.529 117 L N 4.846 126.270 121.223 0.335 0.000 2.385 117 L HA 0.240 4.581 4.340 0.001 0.000 0.281 117 L C 0.162 177.360 176.870 0.546 0.000 1.106 117 L CA -0.064 55.016 54.840 0.400 0.000 0.856 117 L CB -0.438 41.751 42.059 0.217 0.000 1.186 117 L HN 0.692 nan 8.230 nan 0.000 0.453 118 T N 2.056 116.982 114.554 0.620 0.000 2.829 118 T HA 0.878 5.229 4.350 0.001 0.000 0.282 118 T C 0.090 175.051 174.700 0.435 0.000 0.990 118 T CA -0.258 62.093 62.100 0.419 0.000 1.028 118 T CB 1.512 70.454 68.868 0.122 0.000 0.951 118 T HN 0.849 nan 8.240 nan 0.000 0.460 119 G N 1.765 110.839 108.800 0.456 0.000 2.660 119 G HA2 0.659 4.619 3.960 0.001 0.000 0.294 119 G HA3 0.659 4.619 3.960 0.001 0.000 0.294 119 G C -1.619 173.493 174.900 0.355 0.000 1.369 119 G CA -1.101 44.265 45.100 0.444 0.000 0.912 119 G HN 0.964 nan 8.290 nan 0.000 0.479 120 M N 1.176 120.937 119.600 0.269 0.000 2.271 120 M HA 0.699 5.180 4.480 0.001 0.000 0.285 120 M C -1.238 174.969 176.300 -0.156 0.000 1.059 120 M CA -0.693 54.548 55.300 -0.099 0.000 0.940 120 M CB 2.022 34.207 32.600 -0.692 0.000 1.636 120 M HN 0.834 nan 8.290 nan 0.000 0.460 121 A N 3.570 126.218 122.820 -0.287 0.000 2.342 121 A HA 0.998 5.319 4.320 0.001 0.000 0.323 121 A C 0.157 177.302 177.584 -0.732 0.000 1.125 121 A CA 0.274 51.895 52.037 -0.694 0.000 0.785 121 A CB 1.097 19.765 19.000 -0.553 0.000 1.221 121 A HN 1.600 nan 8.150 nan 0.000 0.463 122 G N 1.037 109.335 108.800 -0.836 0.000 2.418 122 G HA2 -0.028 3.932 3.960 0.001 0.000 0.206 122 G HA3 -0.028 3.932 3.960 0.001 0.000 0.206 122 G C -0.138 174.656 174.900 -0.176 0.000 1.202 122 G CA -0.085 44.641 45.100 -0.624 0.000 1.061 122 G HN 1.089 nan 8.290 nan 0.000 0.563 123 K N 0.615 120.850 120.400 -0.275 0.000 2.276 123 K HA 0.378 4.699 4.320 0.001 0.000 0.283 123 K C 0.998 177.704 176.600 0.176 0.000 1.044 123 K CA -0.236 56.088 56.287 0.062 0.000 0.944 123 K CB 0.504 33.020 32.500 0.027 0.000 1.012 123 K HN 0.643 nan 8.250 nan 0.000 0.472 124 W N 4.967 126.286 121.300 0.032 0.000 2.783 124 W HA -0.052 4.608 4.660 0.001 0.000 0.287 124 W C 0.074 176.687 176.519 0.158 0.000 1.085 124 W CA 1.004 58.363 57.345 0.023 0.000 1.646 124 W CB -0.004 29.398 29.460 -0.096 0.000 1.135 124 W HN 0.998 nan 8.180 nan 0.000 0.548 125 H N 0.181 119.231 119.070 -0.034 0.000 2.899 125 H HA -0.206 4.351 4.556 0.001 0.000 0.282 125 H C 0.255 175.344 175.328 -0.398 0.000 1.198 125 H CA 0.643 56.627 56.048 -0.106 0.000 1.140 125 H CB -1.233 28.498 29.762 -0.050 0.000 1.317 125 H HN 0.161 nan 8.280 nan 0.000 0.375 126 L N 0.213 120.936 121.223 -0.834 0.000 2.965 126 L HA 0.392 4.733 4.340 0.001 0.000 0.254 126 L C 1.104 177.851 176.870 -0.206 0.000 1.220 126 L CA 0.535 54.918 54.840 -0.762 0.000 1.023 126 L CB 1.192 42.465 42.059 -1.310 0.000 1.355 126 L HN 0.482 nan 8.230 nan 0.000 0.545 127 G N -0.992 107.878 108.800 0.118 0.000 2.640 127 G HA2 -0.021 3.939 3.960 0.001 0.000 0.686 127 G HA3 -0.021 3.939 3.960 0.001 0.000 0.686 127 G C -0.425 174.818 174.900 0.572 0.000 1.229 127 G CA -0.510 44.736 45.100 0.242 0.000 0.796 127 G HN -0.257 nan 8.290 nan 0.000 0.654 128 V N 1.772 122.004 119.914 0.530 0.000 3.097 128 V HA 0.825 4.946 4.120 0.001 0.000 0.223 128 V C 1.994 178.328 176.094 0.401 0.000 1.199 128 V CA 1.945 64.501 62.300 0.426 0.000 1.260 128 V CB -0.241 31.790 31.823 0.346 0.000 1.155 128 V HN 2.937 nan 8.190 nan 0.000 0.509 129 G N 1.649 110.673 108.800 0.373 0.000 2.781 129 G HA2 -0.110 3.851 3.960 0.001 0.000 0.683 129 G HA3 -0.110 3.851 3.960 0.001 0.000 0.683 129 G C -2.749 172.178 174.900 0.046 0.000 1.390 129 G CA -0.422 44.814 45.100 0.226 0.000 0.850 129 G HN 0.389 nan 8.290 nan 0.000 0.557 130 P HA 0.392 nan 4.420 nan 0.000 0.257 130 P C 0.603 177.872 177.300 -0.051 0.000 1.189 130 P CA 2.091 65.174 63.100 -0.029 0.000 0.780 130 P CB -0.072 31.599 31.700 -0.048 0.000 0.772 131 E N 2.195 122.394 120.200 -0.001 0.000 2.971 131 E HA -0.199 4.151 4.350 0.001 0.000 0.278 131 E C 1.019 177.638 176.600 0.032 0.000 1.009 131 E CA 1.744 58.150 56.400 0.010 0.000 0.862 131 E CB -2.630 27.062 29.700 -0.013 0.000 1.436 131 E HN 1.072 nan 8.360 nan 0.000 0.434 132 G N -2.795 106.032 108.800 0.045 0.000 2.147 132 G HA2 0.082 4.042 3.960 0.001 0.000 0.244 132 G HA3 0.082 4.042 3.960 0.001 0.000 0.244 132 G C 1.378 176.351 174.900 0.122 0.000 1.005 132 G CA 1.387 46.544 45.100 0.095 0.000 0.713 132 G HN 2.193 nan 8.290 nan 0.000 0.515 133 A N -0.861 121.910 122.820 -0.083 0.000 2.076 133 A HA 0.333 4.654 4.320 0.001 0.000 0.220 133 A C 1.636 179.186 177.584 -0.056 0.000 1.160 133 A CA 1.944 53.832 52.037 -0.249 0.000 0.653 133 A CB -0.320 18.335 19.000 -0.575 0.000 0.801 133 A HN 0.784 nan 8.150 nan 0.000 0.455 134 F N -0.597 119.480 119.950 0.213 0.000 2.664 134 F HA 0.362 4.890 4.527 0.001 0.000 0.303 134 F C 0.554 176.493 175.800 0.232 0.000 1.092 134 F CA -0.766 57.387 58.000 0.255 0.000 1.305 134 F CB -0.420 38.741 39.000 0.268 0.000 1.054 134 F HN -0.034 nan 8.300 nan 0.000 0.565 135 L N 1.640 122.969 121.223 0.175 0.000 2.476 135 L HA 0.063 4.403 4.340 0.001 0.000 0.264 135 L C -0.851 175.619 176.870 -0.665 0.000 1.224 135 L CA -1.502 53.127 54.840 -0.352 0.000 0.821 135 L CB 0.074 41.956 42.059 -0.296 0.000 1.101 135 L HN -0.154 nan 8.230 nan 0.000 0.488 136 P HA -0.129 nan 4.420 nan 0.000 0.217 136 P C -1.445 175.619 177.300 -0.393 0.000 1.151 136 P CA 1.401 63.812 63.100 -1.149 0.000 0.849 136 P CB -0.831 29.897 31.700 -1.620 0.000 0.787 137 P HA -0.169 nan 4.420 nan 0.000 0.217 137 P C 0.980 178.133 177.300 -0.245 0.000 1.148 137 P CA 1.563 64.509 63.100 -0.256 0.000 0.828 137 P CB -0.708 30.784 31.700 -0.347 0.000 0.783 138 H N -1.960 117.084 119.070 -0.043 0.000 2.547 138 H HA 0.146 4.702 4.556 0.001 0.000 0.266 138 H C 0.989 176.330 175.328 0.021 0.000 0.988 138 H CA 0.179 56.225 56.048 -0.003 0.000 1.147 138 H CB 0.043 29.808 29.762 0.005 0.000 1.365 138 H HN 0.090 nan 8.280 nan 0.000 0.589 139 Q N -0.139 119.718 119.800 0.094 0.000 2.129 139 Q HA 0.205 4.545 4.340 0.001 0.000 0.274 139 Q C 0.580 176.551 176.000 -0.048 0.000 0.854 139 Q CA 0.312 56.178 55.803 0.105 0.000 1.123 139 Q CB 1.650 30.551 28.738 0.271 0.000 1.226 139 Q HN 0.657 nan 8.270 nan 0.000 0.454 140 G N 0.560 109.296 108.800 -0.106 0.000 2.179 140 G HA2 -0.234 3.726 3.960 0.001 0.000 0.220 140 G HA3 -0.234 3.726 3.960 0.001 0.000 0.220 140 G C -0.267 174.358 174.900 -0.459 0.000 0.990 140 G CA -0.527 44.402 45.100 -0.286 0.000 0.646 140 G HN 0.252 nan 8.290 nan 0.000 0.517 141 F N 0.787 120.648 119.950 -0.147 0.000 2.410 141 F HA 0.599 5.126 4.527 0.001 0.000 0.349 141 F C 1.510 177.242 175.800 -0.113 0.000 1.117 141 F CA -0.445 57.478 58.000 -0.128 0.000 1.104 141 F CB 1.082 40.053 39.000 -0.049 0.000 1.122 141 F HN 0.096 nan 8.300 nan 0.000 0.483 142 H N 1.332 120.560 119.070 0.262 0.000 2.428 142 H HA 0.135 4.692 4.556 0.001 0.000 0.296 142 H C 0.238 175.684 175.328 0.197 0.000 1.062 142 H CA 0.872 57.025 56.048 0.176 0.000 1.350 142 H CB 0.328 30.176 29.762 0.144 0.000 1.403 142 H HN 0.332 nan 8.280 nan 0.000 0.533 143 R N 0.172 120.905 120.500 0.389 0.000 2.750 143 R HA 0.379 4.719 4.340 0.001 0.000 0.281 143 R C -1.818 174.781 176.300 0.498 0.000 0.972 143 R CA -0.946 55.402 56.100 0.415 0.000 0.912 143 R CB 2.518 33.051 30.300 0.388 0.000 1.187 143 R HN 0.012 nan 8.270 nan 0.000 0.464 144 F N 2.618 122.653 119.950 0.141 0.000 2.689 144 F HA 0.372 4.900 4.527 0.001 0.000 0.332 144 F C -2.139 173.444 175.800 -0.361 0.000 1.209 144 F CA -1.161 56.723 58.000 -0.192 0.000 1.028 144 F CB 1.321 40.174 39.000 -0.245 0.000 1.291 144 F HN 0.337 nan 8.300 nan 0.000 0.500 145 L N 6.531 127.009 121.223 -1.242 0.000 2.342 145 L HA 0.978 5.318 4.340 0.001 0.000 0.276 145 L C -0.443 175.749 176.870 -1.131 0.000 0.997 145 L CA 0.148 54.284 54.840 -1.175 0.000 0.838 145 L CB 1.108 42.606 42.059 -0.935 0.000 1.224 145 L HN 0.892 nan 8.230 nan 0.000 0.416 146 G N 4.386 112.503 108.800 -1.138 0.000 2.341 146 G HA2 0.343 4.304 3.960 0.001 0.000 0.299 146 G HA3 0.343 4.304 3.960 0.001 0.000 0.299 146 G C -1.715 173.081 174.900 -0.173 0.000 1.274 146 G CA -0.755 44.102 45.100 -0.405 0.000 0.853 146 G HN 0.443 nan 8.290 nan 0.000 0.493 147 I N 1.849 122.482 120.570 0.106 0.000 2.441 147 I HA 0.349 4.520 4.170 0.001 0.000 0.295 147 I C -1.421 174.724 176.117 0.047 0.000 0.994 147 I CA -2.271 59.021 61.300 -0.013 0.000 1.144 147 I CB 2.974 40.927 38.000 -0.078 0.000 1.314 147 I HN 0.311 nan 8.210 nan 0.000 0.445 148 P HA -0.031 nan 4.420 nan 0.000 0.245 148 P C -0.857 176.449 177.300 0.011 0.000 1.212 148 P CA 1.130 64.211 63.100 -0.033 0.000 0.774 148 P CB 0.056 31.669 31.700 -0.146 0.000 0.999 149 Y N -3.913 116.438 120.300 0.085 0.000 2.958 149 Y HA 0.553 5.103 4.550 0.001 0.000 0.315 149 Y C -0.018 175.713 175.900 -0.281 0.000 1.541 149 Y CA -1.935 56.039 58.100 -0.209 0.000 1.087 149 Y CB -0.556 37.804 38.460 -0.167 0.000 1.593 149 Y HN -0.421 nan 8.280 nan 0.000 0.446 150 S N 1.218 116.787 115.700 -0.218 0.000 2.600 150 S HA 0.057 4.527 4.470 0.001 0.000 0.265 150 S C 0.879 175.465 174.600 -0.023 0.000 1.325 150 S CA 0.002 58.089 58.200 -0.189 0.000 1.002 150 S CB -0.029 62.905 63.200 -0.443 0.000 0.921 150 S HN 0.935 nan 8.310 nan 0.000 0.554 151 H N 0.994 119.979 119.070 -0.142 0.000 2.556 151 H HA 0.032 4.589 4.556 0.001 0.000 0.268 151 H C 0.383 175.661 175.328 -0.083 0.000 0.996 151 H CA 0.974 56.910 56.048 -0.186 0.000 1.157 151 H CB -0.212 29.304 29.762 -0.409 0.000 1.355 151 H HN 0.703 nan 8.280 nan 0.000 0.597 152 D N 0.594 120.838 120.400 -0.260 0.000 2.369 152 D HA -0.058 4.583 4.640 0.001 0.000 0.211 152 D C 0.316 176.619 176.300 0.006 0.000 1.077 152 D CA -0.239 53.691 54.000 -0.117 0.000 0.842 152 D CB -0.192 40.644 40.800 0.060 0.000 0.947 152 D HN 0.357 nan 8.370 nan 0.000 0.509 153 Q N 0.875 120.672 119.800 -0.006 0.000 3.207 153 Q HA 0.508 4.848 4.340 0.001 0.000 0.335 153 Q C -0.025 175.956 176.000 -0.031 0.000 1.374 153 Q CA -0.378 55.396 55.803 -0.049 0.000 1.023 153 Q CB 0.746 29.372 28.738 -0.187 0.000 1.576 153 Q HN 0.351 nan 8.270 nan 0.000 0.515 154 G N 1.235 110.038 108.800 0.005 0.000 2.387 154 G HA2 0.246 4.207 3.960 0.001 0.000 0.294 154 G HA3 0.246 4.207 3.960 0.001 0.000 0.294 154 G C -3.312 171.594 174.900 0.009 0.000 1.509 154 G CA -0.973 44.136 45.100 0.015 0.000 0.806 154 G HN -0.097 nan 8.290 nan 0.000 0.546 155 P HA 0.320 nan 4.420 nan 0.000 0.275 155 P C 0.855 178.149 177.300 -0.010 0.000 1.227 155 P CA -0.202 62.900 63.100 0.003 0.000 0.781 155 P CB 1.222 32.922 31.700 0.000 0.000 0.906 156 c N 1.659 120.254 118.600 -0.008 0.000 3.772 156 c HA 0.147 4.717 4.570 0.001 0.000 0.293 156 c C 1.792 175.874 174.090 -0.013 0.000 1.659 156 c CA -0.234 56.076 56.329 -0.031 0.000 1.810 156 c CB -0.800 41.671 42.510 -0.065 0.000 3.059 156 c HN 0.494 nan 8.230 nan 0.000 0.617 157 Q N 2.280 122.084 119.800 0.007 0.000 2.234 157 Q HA -0.154 4.187 4.340 0.001 0.000 0.206 157 Q C 0.728 176.734 176.000 0.011 0.000 0.980 157 Q CA 1.992 57.806 55.803 0.018 0.000 0.869 157 Q CB -0.980 27.771 28.738 0.022 0.000 0.912 157 Q HN 0.871 nan 8.270 nan 0.000 0.436 158 N N 0.080 118.780 118.700 -0.001 0.000 2.236 158 N HA 0.245 4.986 4.740 0.001 0.000 0.196 158 N C -0.234 175.278 175.510 0.002 0.000 1.114 158 N CA -0.301 52.750 53.050 0.002 0.000 0.859 158 N CB 0.493 38.976 38.487 -0.007 0.000 0.982 158 N HN 0.098 nan 8.380 nan 0.000 0.493 159 L N 0.794 122.007 121.223 -0.017 0.000 2.418 159 L HA 0.257 4.597 4.340 0.001 0.000 0.265 159 L C 0.434 177.285 176.870 -0.031 0.000 1.143 159 L CA -0.224 54.596 54.840 -0.034 0.000 0.809 159 L CB 0.885 42.888 42.059 -0.094 0.000 1.124 159 L HN -0.007 nan 8.230 nan 0.000 0.456 160 T N 0.235 114.768 114.554 -0.035 0.000 2.780 160 T HA 0.099 4.449 4.350 0.001 0.000 0.294 160 T C 0.580 175.162 174.700 -0.196 0.000 0.949 160 T CA -0.444 61.630 62.100 -0.043 0.000 1.074 160 T CB 1.050 69.946 68.868 0.047 0.000 0.910 160 T HN 0.672 nan 8.240 nan 0.000 0.501 161 c N 2.969 121.472 118.600 -0.162 0.000 2.609 161 c HA 0.410 4.980 4.570 0.001 0.000 0.305 161 c C 0.022 173.720 174.090 -0.653 0.000 1.319 161 c CA -0.244 55.865 56.329 -0.367 0.000 1.793 161 c CB -0.448 41.922 42.510 -0.233 0.000 2.260 161 c HN 0.796 nan 8.230 nan 0.000 0.535 162 F N 1.900 121.840 119.950 -0.017 0.000 2.536 162 F HA 0.429 4.957 4.527 0.001 0.000 0.322 162 F C -2.291 173.508 175.800 -0.001 0.000 1.144 162 F CA -2.551 55.443 58.000 -0.010 0.000 0.924 162 F CB 1.104 40.115 39.000 0.018 0.000 1.181 162 F HN -0.099 nan 8.300 nan 0.000 0.438 163 P HA 0.175 nan 4.420 nan 0.000 0.274 163 P C -2.244 175.153 177.300 0.161 0.000 1.231 163 P CA -1.205 61.994 63.100 0.165 0.000 0.790 163 P CB 1.319 33.127 31.700 0.179 0.000 0.951 164 P HA 0.059 nan 4.420 nan 0.000 0.221 164 P C 0.600 178.005 177.300 0.174 0.000 1.155 164 P CA 1.097 64.297 63.100 0.168 0.000 0.812 164 P CB 0.236 32.005 31.700 0.115 0.000 0.801 165 A N -1.147 121.755 122.820 0.137 0.000 2.579 165 A HA 0.282 4.602 4.320 0.001 0.000 0.254 165 A C 0.156 177.807 177.584 0.113 0.000 0.873 165 A CA -0.194 51.919 52.037 0.126 0.000 1.106 165 A CB -0.738 18.323 19.000 0.102 0.000 1.222 165 A HN -0.019 nan 8.150 nan 0.000 0.470 166 T N 3.891 118.528 114.554 0.138 0.000 2.751 166 T HA 0.352 4.703 4.350 0.001 0.000 0.290 166 T C -2.621 172.163 174.700 0.141 0.000 0.919 166 T CA -0.493 61.699 62.100 0.154 0.000 1.136 166 T CB 0.335 69.336 68.868 0.223 0.000 0.875 166 T HN 0.239 nan 8.240 nan 0.000 0.532 167 P HA 0.115 nan 4.420 nan 0.000 0.266 167 P C 0.021 177.369 177.300 0.081 0.000 1.195 167 P CA -0.663 62.481 63.100 0.073 0.000 0.768 167 P CB 0.234 31.973 31.700 0.065 0.000 0.838 168 c N 3.221 121.837 118.600 0.027 0.000 2.597 168 c HA 0.040 4.611 4.570 0.001 0.000 0.412 168 c C 1.075 175.202 174.090 0.061 0.000 1.348 168 c CA -0.031 56.308 56.329 0.017 0.000 1.769 168 c CB -1.096 41.374 42.510 -0.067 0.000 2.641 168 c HN 0.646 nan 8.230 nan 0.000 0.612 169 D N 0.847 121.309 120.400 0.104 0.000 2.253 169 D HA 0.370 5.011 4.640 0.001 0.000 0.249 169 D C 0.947 177.380 176.300 0.221 0.000 1.049 169 D CA 0.345 54.439 54.000 0.157 0.000 0.929 169 D CB 1.073 41.981 40.800 0.181 0.000 1.176 169 D HN 0.986 nan 8.370 nan 0.000 0.437 170 G N 0.696 109.609 108.800 0.188 0.000 2.200 170 G HA2 -0.207 3.754 3.960 0.001 0.000 0.267 170 G HA3 -0.207 3.754 3.960 0.001 0.000 0.267 170 G C 1.172 176.178 174.900 0.178 0.000 0.993 170 G CA 0.976 46.189 45.100 0.188 0.000 0.701 170 G HN 1.710 nan 8.290 nan 0.000 0.524 171 G N -2.062 106.817 108.800 0.131 0.000 2.363 171 G HA2 -0.148 3.813 3.960 0.001 0.000 0.238 171 G HA3 -0.148 3.813 3.960 0.001 0.000 0.238 171 G C 1.746 176.715 174.900 0.116 0.000 1.062 171 G CA 1.271 46.433 45.100 0.103 0.000 0.629 171 G HN 2.160 nan 8.290 nan 0.000 0.514 172 c N -0.430 118.304 118.600 0.224 0.000 0.168 172 c HA -0.085 4.485 4.570 0.001 0.000 0.017 172 c C 0.523 174.683 174.090 0.117 0.000 0.171 172 c CA 0.408 56.862 56.329 0.209 0.000 0.499 172 c CB -1.245 41.316 42.510 0.083 0.000 3.212 172 c HN 0.881 nan 8.230 nan 0.000 1.118 173 D N 1.511 121.960 120.400 0.081 0.000 2.350 173 D HA 0.418 5.058 4.640 0.001 0.000 0.249 173 D C 0.198 176.513 176.300 0.025 0.000 1.119 173 D CA 0.225 54.251 54.000 0.044 0.000 0.886 173 D CB 0.439 41.250 40.800 0.019 0.000 1.195 173 D HN 0.319 nan 8.370 nan 0.000 0.437 174 Q N -0.135 119.677 119.800 0.019 0.000 2.193 174 Q HA 0.517 4.857 4.340 0.001 0.000 0.246 174 Q C 1.011 177.015 176.000 0.006 0.000 0.959 174 Q CA -0.694 55.116 55.803 0.013 0.000 0.904 174 Q CB 1.546 30.293 28.738 0.014 0.000 1.238 174 Q HN 0.736 nan 8.270 nan 0.000 0.469 175 G N 0.464 109.267 108.800 0.005 0.000 2.147 175 G HA2 -0.226 3.734 3.960 0.001 0.000 0.244 175 G HA3 -0.226 3.734 3.960 0.001 0.000 0.244 175 G C -0.290 174.612 174.900 0.003 0.000 1.005 175 G CA 0.257 45.359 45.100 0.004 0.000 0.713 175 G HN 0.325 nan 8.290 nan 0.000 0.515 176 L N -0.997 120.228 121.223 0.002 0.000 2.309 176 L HA 0.680 5.020 4.340 0.001 0.000 0.261 176 L C 0.971 177.850 176.870 0.015 0.000 1.021 176 L CA -1.443 53.398 54.840 0.002 0.000 0.823 176 L CB 2.003 44.052 42.059 -0.017 0.000 1.366 176 L HN -0.036 nan 8.230 nan 0.000 0.423 177 V N 2.586 122.519 119.914 0.031 0.000 2.872 177 V HA 0.060 4.180 4.120 0.001 0.000 0.307 177 V C -1.840 174.284 176.094 0.051 0.000 1.072 177 V CA -0.832 61.496 62.300 0.047 0.000 1.148 177 V CB 1.042 32.908 31.823 0.071 0.000 0.954 177 V HN 0.573 nan 8.190 nan 0.000 0.490 178 P HA 0.124 nan 4.420 nan 0.000 0.270 178 P C -0.362 176.970 177.300 0.054 0.000 1.227 178 P CA -0.159 62.958 63.100 0.029 0.000 0.788 178 P CB 0.417 32.124 31.700 0.012 0.000 0.926 179 I N 3.664 124.255 120.570 0.036 0.000 2.533 179 I HA 0.147 4.317 4.170 0.001 0.000 0.284 179 I C -1.929 174.166 176.117 -0.037 0.000 1.109 179 I CA -1.570 59.752 61.300 0.037 0.000 1.412 179 I CB 0.655 38.653 38.000 -0.004 0.000 1.396 179 I HN 0.249 nan 8.210 nan 0.000 0.543 180 P HA 0.198 nan 4.420 nan 0.000 0.300 180 P C -1.080 176.136 177.300 -0.140 0.000 1.326 180 P CA -0.671 62.375 63.100 -0.090 0.000 0.844 180 P CB 1.630 33.292 31.700 -0.064 0.000 0.992 181 L N 5.061 126.202 121.223 -0.137 0.000 2.278 181 L HA 0.328 4.669 4.340 0.001 0.000 0.287 181 L C -0.791 175.975 176.870 -0.174 0.000 1.072 181 L CA -0.106 54.638 54.840 -0.161 0.000 0.819 181 L CB -0.317 41.652 42.059 -0.151 0.000 1.176 181 L HN 0.248 nan 8.230 nan 0.000 0.435 182 L N 5.130 126.205 121.223 -0.247 0.000 2.331 182 L HA 0.800 5.141 4.340 0.001 0.000 0.275 182 L C -0.041 176.581 176.870 -0.414 0.000 1.022 182 L CA -0.832 53.860 54.840 -0.247 0.000 0.812 182 L CB 1.719 43.692 42.059 -0.143 0.000 1.257 182 L HN 0.726 nan 8.230 nan 0.000 0.435 183 A N 2.545 125.213 122.820 -0.254 0.000 2.360 183 A HA 0.532 4.853 4.320 0.001 0.000 0.309 183 A C 0.141 177.669 177.584 -0.093 0.000 1.311 183 A CA -0.493 51.415 52.037 -0.215 0.000 0.805 183 A CB 0.249 19.180 19.000 -0.114 0.000 1.144 183 A HN 0.920 nan 8.150 nan 0.000 0.486 184 N N 0.403 119.076 118.700 -0.045 0.000 1.629 184 N HA -0.256 4.485 4.740 0.001 0.000 0.153 184 N C 0.556 176.115 175.510 0.082 0.000 0.652 184 N CA 2.189 55.298 53.050 0.099 0.000 1.156 184 N CB -0.910 37.609 38.487 0.053 0.000 1.324 184 N HN 0.615 nan 8.380 nan 0.000 0.449 185 L N 0.282 121.516 121.223 0.018 0.000 2.700 185 L HA 0.330 4.671 4.340 0.001 0.000 0.234 185 L C 0.076 176.952 176.870 0.009 0.000 1.156 185 L CA 0.038 54.886 54.840 0.013 0.000 0.946 185 L CB 0.340 42.403 42.059 0.006 0.000 1.216 185 L HN 0.091 nan 8.230 nan 0.000 0.493 186 S N -0.113 115.582 115.700 -0.009 0.000 2.537 186 S HA 0.466 4.937 4.470 0.001 0.000 0.301 186 S C 0.033 174.611 174.600 -0.037 0.000 1.092 186 S CA -0.506 57.685 58.200 -0.014 0.000 1.048 186 S CB 2.819 66.010 63.200 -0.014 0.000 1.053 186 S HN -0.138 nan 8.310 nan 0.000 0.501 187 V N 2.992 122.889 119.914 -0.029 0.000 2.415 187 V HA 0.094 4.214 4.120 0.001 0.000 0.267 187 V C 1.430 177.491 176.094 -0.054 0.000 1.042 187 V CA 0.181 62.453 62.300 -0.048 0.000 1.000 187 V CB 0.394 32.194 31.823 -0.038 0.000 1.015 187 V HN 1.025 nan 8.190 nan 0.000 0.478 188 E N 4.088 124.243 120.200 -0.075 0.000 2.216 188 E HA 0.260 4.610 4.350 0.001 0.000 0.192 188 E C 0.588 177.148 176.600 -0.066 0.000 0.988 188 E CA 0.991 57.349 56.400 -0.070 0.000 0.834 188 E CB 0.334 29.981 29.700 -0.089 0.000 0.772 188 E HN 0.896 nan 8.360 nan 0.000 0.479 189 A N 0.114 122.890 122.820 -0.074 0.000 2.590 189 A HA 0.456 4.777 4.320 0.001 0.000 0.294 189 A C -1.602 175.940 177.584 -0.069 0.000 1.046 189 A CA -0.467 51.530 52.037 -0.067 0.000 0.684 189 A CB 1.175 20.140 19.000 -0.059 0.000 1.279 189 A HN 0.083 nan 8.150 nan 0.000 0.415 190 Q N 1.449 121.215 119.800 -0.056 0.000 2.821 190 Q HA 0.388 4.729 4.340 0.001 0.000 0.217 190 Q C -3.134 172.865 176.000 -0.001 0.000 0.775 190 Q CA -1.103 54.675 55.803 -0.042 0.000 0.930 190 Q CB 2.499 31.207 28.738 -0.051 0.000 1.511 190 Q HN 0.558 nan 8.270 nan 0.000 0.457 191 P HA 0.447 nan 4.420 nan 0.000 0.280 191 P C -2.675 174.600 177.300 -0.041 0.000 1.272 191 P CA -1.467 61.611 63.100 -0.036 0.000 0.819 191 P CB 0.884 32.560 31.700 -0.041 0.000 1.122 192 P HA 0.091 nan 4.420 nan 0.000 0.276 192 P C -0.985 176.299 177.300 -0.026 0.000 1.261 192 P CA -0.268 62.788 63.100 -0.073 0.000 0.800 192 P CB 0.488 32.090 31.700 -0.164 0.000 1.066 193 W N 2.382 123.569 121.300 -0.189 0.000 2.367 193 W HA 0.239 4.900 4.660 0.001 0.000 0.329 193 W C 0.983 177.357 176.519 -0.241 0.000 1.066 193 W CA -0.226 57.013 57.345 -0.176 0.000 1.435 193 W CB -0.582 28.805 29.460 -0.120 0.000 1.296 193 W HN 0.239 nan 8.180 nan 0.000 0.401 194 L N 7.009 127.850 121.223 -0.638 0.000 2.051 194 L HA -0.199 4.142 4.340 0.001 0.000 0.214 194 L C -0.261 176.202 176.870 -0.679 0.000 1.076 194 L CA 1.336 55.674 54.840 -0.836 0.000 0.758 194 L CB -1.770 39.644 42.059 -1.075 0.000 0.890 194 L HN 0.246 nan 8.230 nan 0.000 0.433 195 P HA -0.117 nan 4.420 nan 0.000 0.223 195 P C 1.139 178.137 177.300 -0.503 0.000 1.144 195 P CA 1.537 64.156 63.100 -0.802 0.000 0.783 195 P CB -0.091 30.879 31.700 -1.215 0.000 0.771 196 G N -1.765 106.816 108.800 -0.365 0.000 3.192 196 G HA2 0.043 4.004 3.960 0.001 0.000 0.239 196 G HA3 0.043 4.004 3.960 0.001 0.000 0.239 196 G C 1.185 176.035 174.900 -0.083 0.000 1.084 196 G CA -0.187 44.923 45.100 0.016 0.000 0.784 196 G HN 0.181 nan 8.290 nan 0.000 0.540 197 L N 0.118 121.210 121.223 -0.218 0.000 2.079 197 L HA -0.095 4.246 4.340 0.001 0.000 0.210 197 L C 2.828 179.420 176.870 -0.463 0.000 1.081 197 L CA 1.441 56.015 54.840 -0.443 0.000 0.752 197 L CB -0.058 41.700 42.059 -0.501 0.000 0.896 197 L HN 0.315 nan 8.230 nan 0.000 0.433 198 E N 0.349 120.465 120.200 -0.140 0.000 2.038 198 E HA -0.278 4.073 4.350 0.001 0.000 0.195 198 E C 2.082 178.693 176.600 0.018 0.000 1.000 198 E CA 1.650 58.054 56.400 0.007 0.000 0.803 198 E CB 0.033 29.808 29.700 0.125 0.000 0.750 198 E HN 0.476 nan 8.360 nan 0.000 0.448 199 A N 1.553 124.386 122.820 0.022 0.000 1.940 199 A HA -0.206 4.115 4.320 0.001 0.000 0.219 199 A C 2.240 179.840 177.584 0.026 0.000 1.176 199 A CA 1.635 53.695 52.037 0.038 0.000 0.631 199 A CB -0.530 18.499 19.000 0.049 0.000 0.814 199 A HN 0.226 nan 8.150 nan 0.000 0.446 200 R N -1.694 118.787 120.500 -0.031 0.000 2.073 200 R HA -0.156 4.185 4.340 0.001 0.000 0.234 200 R C 1.999 178.375 176.300 0.126 0.000 1.134 200 R CA 1.769 57.864 56.100 -0.007 0.000 0.952 200 R CB -0.535 29.707 30.300 -0.096 0.000 0.850 200 R HN 0.636 nan 8.270 nan 0.000 0.433 201 Y N 0.035 120.347 120.300 0.019 0.000 2.293 201 Y HA -0.076 4.475 4.550 0.001 0.000 0.291 201 Y C 2.301 178.207 175.900 0.009 0.000 1.137 201 Y CA 0.525 58.633 58.100 0.015 0.000 1.202 201 Y CB -0.388 38.094 38.460 0.038 0.000 0.990 201 Y HN -0.031 nan 8.280 nan 0.000 0.537 202 M N -0.289 119.390 119.600 0.132 0.000 2.117 202 M HA -0.123 4.358 4.480 0.001 0.000 0.262 202 M C 2.472 178.823 176.300 0.085 0.000 1.065 202 M CA 1.527 56.854 55.300 0.045 0.000 1.114 202 M CB -1.577 31.039 32.600 0.027 0.000 1.361 202 M HN 0.235 nan 8.290 nan 0.000 0.408 203 A N -0.445 122.435 122.820 0.102 0.000 1.883 203 A HA -0.227 4.093 4.320 0.001 0.000 0.217 203 A C 2.181 179.853 177.584 0.147 0.000 1.186 203 A CA 1.703 53.798 52.037 0.097 0.000 0.624 203 A CB -1.256 17.787 19.000 0.073 0.000 0.822 203 A HN 0.475 nan 8.150 nan 0.000 0.444 204 F N 0.955 120.922 119.950 0.028 0.000 2.161 204 F HA -0.080 4.448 4.527 0.001 0.000 0.300 204 F C 2.406 178.187 175.800 -0.031 0.000 1.089 204 F CA 1.297 59.300 58.000 0.006 0.000 1.282 204 F CB -0.270 38.736 39.000 0.010 0.000 1.010 204 F HN 0.253 nan 8.300 nan 0.000 0.485 205 A N -0.059 122.794 122.820 0.055 0.000 1.873 205 A HA -0.229 4.092 4.320 0.001 0.000 0.215 205 A C 2.365 179.810 177.584 -0.232 0.000 1.186 205 A CA 1.640 53.593 52.037 -0.140 0.000 0.616 205 A CB -1.573 17.368 19.000 -0.098 0.000 0.823 205 A HN 0.655 nan 8.150 nan 0.000 0.442 206 H N 0.298 119.262 119.070 -0.177 0.000 2.289 206 H HA -0.196 4.360 4.556 0.001 0.000 0.294 206 H C 1.452 176.665 175.328 -0.193 0.000 1.095 206 H CA 2.315 58.265 56.048 -0.163 0.000 1.256 206 H CB -0.151 29.556 29.762 -0.092 0.000 1.359 206 H HN 0.408 nan 8.280 nan 0.000 0.487 207 D N 0.559 120.915 120.400 -0.073 0.000 2.117 207 D HA -0.141 4.500 4.640 0.001 0.000 0.197 207 D C 2.442 178.573 176.300 -0.282 0.000 0.987 207 D CA 0.921 54.841 54.000 -0.133 0.000 0.829 207 D CB -0.534 40.197 40.800 -0.115 0.000 0.961 207 D HN 0.370 nan 8.370 nan 0.000 0.460 208 L N -0.294 120.678 121.223 -0.419 0.000 2.141 208 L HA -0.082 4.259 4.340 0.001 0.000 0.209 208 L C 2.046 178.676 176.870 -0.399 0.000 1.094 208 L CA 1.259 55.854 54.840 -0.408 0.000 0.763 208 L CB -0.172 41.584 42.059 -0.505 0.000 0.908 208 L HN -0.039 nan 8.230 nan 0.000 0.437 209 M N -0.700 118.560 119.600 -0.567 0.000 2.081 209 M HA -0.085 4.395 4.480 0.001 0.000 0.261 209 M C 2.457 178.554 176.300 -0.339 0.000 1.075 209 M CA 1.563 56.430 55.300 -0.722 0.000 1.133 209 M CB -0.762 31.318 32.600 -0.866 0.000 1.330 209 M HN 0.426 nan 8.290 nan 0.000 0.414 210 A N 1.041 123.643 122.820 -0.364 0.000 1.859 210 A HA -0.233 4.087 4.320 0.001 0.000 0.217 210 A C 1.680 179.191 177.584 -0.122 0.000 1.198 210 A CA 2.407 54.309 52.037 -0.226 0.000 0.629 210 A CB -1.111 17.723 19.000 -0.277 0.000 0.830 210 A HN 0.443 nan 8.150 nan 0.000 0.446 211 D N 0.030 120.358 120.400 -0.120 0.000 2.149 211 D HA -0.153 4.488 4.640 0.001 0.000 0.194 211 D C 2.091 178.369 176.300 -0.037 0.000 1.001 211 D CA 1.830 55.787 54.000 -0.070 0.000 0.849 211 D CB -0.457 40.298 40.800 -0.075 0.000 0.939 211 D HN 0.488 nan 8.370 nan 0.000 0.449 212 A N 0.244 123.052 122.820 -0.019 0.000 1.929 212 A HA -0.182 4.138 4.320 0.001 0.000 0.216 212 A C 2.123 179.739 177.584 0.052 0.000 1.176 212 A CA 1.443 53.513 52.037 0.056 0.000 0.628 212 A CB -0.569 18.543 19.000 0.187 0.000 0.816 212 A HN 0.222 nan 8.150 nan 0.000 0.444 213 Q N -0.624 119.203 119.800 0.045 0.000 2.050 213 Q HA -0.262 4.079 4.340 0.001 0.000 0.202 213 Q C 2.546 178.554 176.000 0.012 0.000 0.980 213 Q CA 2.403 58.229 55.803 0.038 0.000 0.840 213 Q CB -0.282 28.471 28.738 0.024 0.000 0.898 213 Q HN 0.654 nan 8.270 nan 0.000 0.424 214 R N 0.782 121.281 120.500 -0.003 0.000 2.091 214 R HA -0.173 4.168 4.340 0.001 0.000 0.238 214 R C 1.710 178.006 176.300 -0.005 0.000 1.136 214 R CA 2.083 58.179 56.100 -0.006 0.000 0.959 214 R CB -1.321 nan 30.300 nan 0.000 0.856 214 R HN 0.585 nan 8.270 nan 0.000 0.437 215 Q N -0.570 119.226 119.800 -0.006 0.000 2.247 215 Q HA 0.253 4.593 4.340 0.001 0.000 0.205 215 Q C 0.310 176.304 176.000 -0.011 0.000 0.896 215 Q CA 0.454 56.251 55.803 -0.010 0.000 0.950 215 Q CB -0.209 28.519 28.738 -0.016 0.000 1.054 215 Q HN 0.785 nan 8.270 nan 0.000 0.482 216 D N 1.625 122.021 120.400 -0.006 0.000 2.751 216 D HA -0.214 4.427 4.640 0.001 0.000 0.233 216 D C -0.098 176.185 176.300 -0.028 0.000 1.149 216 D CA 1.310 55.303 54.000 -0.011 0.000 0.682 216 D CB -1.820 nan 40.800 nan 0.000 1.068 216 D HN 0.552 nan 8.370 nan 0.000 0.429 217 R N -1.620 118.864 120.500 -0.027 0.000 2.795 217 R HA 0.794 5.134 4.340 0.001 0.000 0.275 217 R C -3.280 172.961 176.300 -0.097 0.000 0.981 217 R CA -1.956 54.102 56.100 -0.070 0.000 0.917 217 R CB 2.014 32.284 30.300 -0.050 0.000 1.202 217 R HN 0.118 nan 8.270 nan 0.000 0.469 218 P HA 0.051 nan 4.420 nan 0.000 0.271 218 P C -0.906 176.252 177.300 -0.236 0.000 1.220 218 P CA -0.099 62.720 63.100 -0.467 0.000 0.768 218 P CB 0.226 31.300 31.700 -1.042 0.000 0.848 219 F N 2.065 122.023 119.950 0.014 0.000 2.408 219 F HA 0.709 5.236 4.527 0.001 0.000 0.325 219 F C -0.731 175.350 175.800 0.469 0.000 1.082 219 F CA -1.583 56.537 58.000 0.201 0.000 1.032 219 F CB 0.642 39.705 39.000 0.105 0.000 1.259 219 F HN 0.135 nan 8.300 nan 0.000 0.503 220 F N 4.229 124.516 119.950 0.561 0.000 2.500 220 F HA 0.586 5.114 4.527 0.001 0.000 0.349 220 F C -1.820 174.248 175.800 0.448 0.000 1.127 220 F CA -1.794 56.438 58.000 0.386 0.000 0.998 220 F CB 1.182 40.283 39.000 0.169 0.000 1.237 220 F HN 0.600 nan 8.300 nan 0.000 0.439 221 L N 7.776 129.023 121.223 0.041 0.000 2.296 221 L HA 0.459 4.799 4.340 0.001 0.000 0.286 221 L C -2.013 174.657 176.870 -0.334 0.000 1.023 221 L CA -0.631 54.146 54.840 -0.105 0.000 0.812 221 L CB 1.086 43.197 42.059 0.087 0.000 1.223 221 L HN 0.554 nan 8.230 nan 0.000 0.421 222 Y N 5.996 126.048 120.300 -0.415 0.000 2.587 222 Y HA 0.326 4.877 4.550 0.001 0.000 0.328 222 Y C -1.602 174.270 175.900 -0.046 0.000 0.980 222 Y CA -1.195 56.750 58.100 -0.259 0.000 1.272 222 Y CB 0.409 38.768 38.460 -0.168 0.000 1.094 222 Y HN 0.630 nan 8.280 nan 0.000 0.503 223 Y N 5.574 125.710 120.300 -0.274 0.000 2.804 223 Y HA 0.637 5.187 4.550 0.001 0.000 0.330 223 Y C -0.447 175.208 175.900 -0.408 0.000 1.092 223 Y CA -1.754 56.154 58.100 -0.320 0.000 1.315 223 Y CB 0.170 38.566 38.460 -0.108 0.000 1.188 223 Y HN 0.689 nan 8.280 nan 0.000 0.512 224 A N 4.504 126.794 122.820 -0.885 0.000 2.922 224 A HA 0.353 4.673 4.320 0.001 0.000 0.298 224 A C 0.637 177.742 177.584 -0.798 0.000 1.588 224 A CA -0.088 51.499 52.037 -0.751 0.000 1.288 224 A CB -0.680 17.888 19.000 -0.719 0.000 1.130 224 A HN 0.641 nan 8.150 nan 0.000 0.557 225 S N 0.322 115.483 115.700 -0.898 0.000 2.576 225 S HA 0.088 4.558 4.470 0.001 0.000 0.272 225 S C 1.094 175.358 174.600 -0.560 0.000 1.352 225 S CA 0.088 57.818 58.200 -0.783 0.000 1.021 225 S CB 0.181 63.025 63.200 -0.593 0.000 0.887 225 S HN 0.741 nan 8.310 nan 0.000 0.542 226 H N 0.617 119.564 119.070 -0.205 0.000 2.525 226 H HA 0.184 4.741 4.556 0.001 0.000 0.275 226 H C 0.210 175.522 175.328 -0.026 0.000 0.984 226 H CA 0.437 56.436 56.048 -0.082 0.000 1.264 226 H CB 0.070 29.748 29.762 -0.140 0.000 1.432 226 H HN 0.521 nan 8.280 nan 0.000 0.549 227 H N 0.728 119.771 119.070 -0.045 0.000 2.683 227 H HA 0.083 4.640 4.556 0.001 0.000 0.339 227 H C 0.619 175.892 175.328 -0.093 0.000 1.081 227 H CA 0.378 56.337 56.048 -0.149 0.000 1.432 227 H CB 0.768 30.357 29.762 -0.289 0.000 1.462 227 H HN 0.237 nan 8.280 nan 0.000 0.557 228 T N -0.021 114.576 114.554 0.071 0.000 3.327 228 T HA 0.059 4.410 4.350 0.001 0.000 0.244 228 T C 0.346 175.173 174.700 0.212 0.000 1.074 228 T CA -0.686 61.407 62.100 -0.012 0.000 1.156 228 T CB -0.313 68.301 68.868 -0.423 0.000 1.087 228 T HN 0.536 nan 8.240 nan 0.000 0.575 229 H N 1.412 120.631 119.070 0.248 0.000 2.615 229 H HA 0.225 4.782 4.556 0.001 0.000 0.363 229 H C -0.557 174.988 175.328 0.362 0.000 1.148 229 H CA -0.324 55.906 56.048 0.304 0.000 1.401 229 H CB 0.715 30.652 29.762 0.292 0.000 1.461 229 H HN 0.533 nan 8.280 nan 0.000 0.588 230 Y N 5.273 125.478 120.300 -0.159 0.000 2.397 230 Y HA 0.198 4.749 4.550 0.002 0.000 0.335 230 Y C -2.299 173.620 175.900 0.033 0.000 1.213 230 Y CA -1.782 56.324 58.100 0.009 0.000 1.391 230 Y CB 0.581 38.966 38.460 -0.126 0.000 1.293 230 Y HN 0.436 nan 8.280 nan 0.000 0.557 231 P HA 0.051 nan 4.420 nan 0.000 0.277 231 P C -1.268 176.158 177.300 0.211 0.000 1.240 231 P CA -0.321 62.446 63.100 -0.556 0.000 0.798 231 P CB 1.096 32.429 31.700 -0.612 0.000 0.979 232 Q N 1.583 121.526 119.800 0.238 0.000 2.417 232 Q HA 0.401 4.742 4.340 0.001 0.000 0.241 232 Q C -0.013 176.070 176.000 0.138 0.000 1.008 232 Q CA 0.442 56.410 55.803 0.274 0.000 0.901 232 Q CB 0.092 29.028 28.738 0.330 0.000 1.259 232 Q HN 0.597 nan 8.270 nan 0.000 0.489 233 F N -2.486 117.268 119.950 -0.327 0.000 2.708 233 F HA 0.577 5.104 4.527 0.001 0.000 0.309 233 F C -1.293 174.192 175.800 -0.526 0.000 1.120 233 F CA -0.914 56.505 58.000 -0.968 0.000 0.978 233 F CB 0.862 39.522 39.000 -0.567 0.000 1.283 233 F HN 0.518 nan 8.300 nan 0.000 0.439 234 S N 1.264 116.638 115.700 -0.543 0.000 2.596 234 S HA 0.862 5.332 4.470 0.001 0.000 0.270 234 S C -0.402 174.223 174.600 0.041 0.000 1.155 234 S CA -0.454 57.711 58.200 -0.059 0.000 0.827 234 S CB 1.132 64.448 63.200 0.193 0.000 1.130 234 S HN 1.639 nan 8.310 nan 0.000 0.467 235 G N -0.200 108.688 108.800 0.147 0.000 2.684 235 G HA2 0.324 4.285 3.960 0.001 0.000 0.255 235 G HA3 0.324 4.285 3.960 0.001 0.000 0.255 235 G C 0.438 175.402 174.900 0.107 0.000 1.219 235 G CA 0.032 45.182 45.100 0.084 0.000 0.901 235 G HN 0.960 nan 8.290 nan 0.000 0.548 236 Q N -1.020 118.808 119.800 0.047 0.000 2.297 236 Q HA -0.082 4.258 4.340 0.001 0.000 0.204 236 Q C 2.138 178.084 176.000 -0.091 0.000 0.962 236 Q CA 1.597 57.418 55.803 0.030 0.000 0.879 236 Q CB -0.111 28.658 28.738 0.053 0.000 0.947 236 Q HN 0.506 nan 8.270 nan 0.000 0.462 237 S N -0.497 115.033 115.700 -0.283 0.000 2.555 237 S HA 0.005 4.475 4.470 0.001 0.000 0.230 237 S C 0.650 174.809 174.600 -0.734 0.000 0.978 237 S CA 0.327 58.198 58.200 -0.549 0.000 0.934 237 S CB -0.026 62.711 63.200 -0.771 0.000 0.766 237 S HN 0.382 nan 8.310 nan 0.000 0.533 238 F N 1.423 121.385 119.950 0.019 0.000 2.724 238 F HA 0.510 5.037 4.527 0.001 0.000 0.306 238 F C 1.276 177.085 175.800 0.014 0.000 1.100 238 F CA -1.088 56.913 58.000 0.001 0.000 1.255 238 F CB -0.443 38.543 39.000 -0.023 0.000 1.072 238 F HN 0.078 nan 8.300 nan 0.000 0.589 239 A N 1.287 124.203 122.820 0.160 0.000 2.545 239 A HA 0.193 4.514 4.320 0.001 0.000 0.253 239 A C 1.001 178.580 177.584 -0.009 0.000 1.074 239 A CA 0.117 52.227 52.037 0.122 0.000 0.760 239 A CB -0.508 18.602 19.000 0.184 0.000 1.005 239 A HN 0.568 nan 8.150 nan 0.000 0.506 240 E N -0.436 119.702 120.200 -0.104 0.000 2.791 240 E HA -0.346 4.004 4.350 0.001 0.000 0.271 240 E C 0.911 177.491 176.600 -0.033 0.000 1.044 240 E CA 1.116 57.462 56.400 -0.090 0.000 0.814 240 E CB -2.408 27.246 29.700 -0.077 0.000 1.400 240 E HN 1.055 nan 8.360 nan 0.000 0.423 241 R N 0.807 121.308 120.500 0.001 0.000 2.316 241 R HA 0.179 4.520 4.340 0.001 0.000 0.201 241 R C 1.346 177.664 176.300 0.029 0.000 0.888 241 R CA 0.984 57.096 56.100 0.019 0.000 1.041 241 R CB 0.068 30.392 30.300 0.041 0.000 1.115 241 R HN 0.359 nan 8.270 nan 0.000 0.559 242 S N -0.569 115.148 115.700 0.028 0.000 2.592 242 S HA 0.444 4.915 4.470 0.001 0.000 0.271 242 S C 1.069 175.676 174.600 0.012 0.000 1.326 242 S CA 0.025 58.236 58.200 0.020 0.000 1.024 242 S CB 1.542 64.739 63.200 -0.006 0.000 0.921 242 S HN 0.572 nan 8.310 nan 0.000 0.527 243 G N 0.582 109.395 108.800 0.021 0.000 3.782 243 G HA2 0.240 4.200 3.960 0.001 0.000 0.288 243 G HA3 0.240 4.200 3.960 0.001 0.000 0.288 243 G C 0.495 175.414 174.900 0.032 0.000 1.300 243 G CA -0.670 44.442 45.100 0.021 0.000 1.261 243 G HN 0.787 nan 8.290 nan 0.000 0.591 244 R N 0.376 120.895 120.500 0.033 0.000 2.690 244 R HA 0.421 4.762 4.340 0.001 0.000 0.419 244 R C 1.014 177.343 176.300 0.049 0.000 1.090 244 R CA 0.384 56.518 56.100 0.057 0.000 1.064 244 R CB -0.297 30.051 30.300 0.079 0.000 1.391 244 R HN 0.467 nan 8.270 nan 0.000 0.586 245 G N 1.418 110.221 108.800 0.005 0.000 2.645 245 G HA2 -0.295 3.665 3.960 0.001 0.000 0.246 245 G HA3 -0.295 3.665 3.960 0.001 0.000 0.246 245 G C -1.843 173.027 174.900 -0.051 0.000 1.322 245 G CA -0.238 44.844 45.100 -0.030 0.000 0.898 245 G HN 0.185 nan 8.290 nan 0.000 0.573 246 P HA -0.064 nan 4.420 nan 0.000 0.216 246 P C 1.783 179.133 177.300 0.083 0.000 1.153 246 P CA 2.006 65.055 63.100 -0.084 0.000 0.858 246 P CB -0.092 31.616 31.700 0.012 0.000 0.789 247 F N 0.487 120.438 119.950 0.001 0.000 2.146 247 F HA -0.044 4.483 4.527 0.001 0.000 0.298 247 F C 2.268 178.025 175.800 -0.071 0.000 1.096 247 F CA 1.971 59.966 58.000 -0.010 0.000 1.275 247 F CB -0.927 38.064 39.000 -0.015 0.000 1.008 247 F HN -0.134 nan 8.300 nan 0.000 0.480 248 G N -0.308 108.541 108.800 0.082 0.000 2.402 248 G HA2 -0.257 3.704 3.960 0.001 0.000 0.216 248 G HA3 -0.257 3.704 3.960 0.001 0.000 0.216 248 G C 1.320 176.134 174.900 -0.143 0.000 1.162 248 G CA 1.016 46.096 45.100 -0.032 0.000 0.777 248 G HN 0.297 nan 8.290 nan 0.000 0.539 249 D N 0.438 120.779 120.400 -0.098 0.000 2.123 249 D HA -0.132 4.508 4.640 0.001 0.000 0.196 249 D C 2.717 178.895 176.300 -0.204 0.000 0.992 249 D CA 1.490 55.454 54.000 -0.059 0.000 0.833 249 D CB -0.379 40.425 40.800 0.007 0.000 0.954 249 D HN 0.356 nan 8.370 nan 0.000 0.455 250 S N -0.276 115.240 115.700 -0.308 0.000 2.402 250 S HA -0.105 4.366 4.470 0.001 0.000 0.229 250 S C 1.820 175.849 174.600 -0.952 0.000 1.021 250 S CA 0.403 58.151 58.200 -0.753 0.000 0.974 250 S CB -0.135 62.731 63.200 -0.556 0.000 0.800 250 S HN 0.162 nan 8.310 nan 0.000 0.484 251 L N 1.496 122.318 121.223 -0.669 0.000 2.044 251 L HA 0.246 4.587 4.340 0.001 0.000 0.205 251 L C 2.434 179.042 176.870 -0.437 0.000 1.075 251 L CA 2.264 56.783 54.840 -0.536 0.000 0.747 251 L CB -0.888 40.916 42.059 -0.426 0.000 0.903 251 L HN 0.501 nan 8.230 nan 0.000 0.435 252 M N -0.665 118.696 119.600 -0.398 0.000 2.149 252 M HA -0.259 4.221 4.480 0.001 0.000 0.261 252 M C 2.199 178.056 176.300 -0.738 0.000 1.064 252 M CA 2.252 57.321 55.300 -0.385 0.000 1.102 252 M CB -0.236 32.239 32.600 -0.208 0.000 1.369 252 M HN 0.521 nan 8.290 nan 0.000 0.408 253 E N 0.287 119.896 120.200 -0.986 0.000 2.106 253 E HA -0.212 4.138 4.350 0.001 0.000 0.192 253 E C 2.063 178.321 176.600 -0.570 0.000 0.984 253 E CA 1.025 56.688 56.400 -1.229 0.000 0.806 253 E CB -0.274 28.909 29.700 -0.862 0.000 0.750 253 E HN 0.670 nan 8.360 nan 0.000 0.458 254 L N 0.850 121.828 121.223 -0.408 0.000 2.046 254 L HA -0.213 4.128 4.340 0.001 0.000 0.208 254 L C 2.094 178.902 176.870 -0.104 0.000 1.077 254 L CA 2.233 57.021 54.840 -0.087 0.000 0.747 254 L CB -0.295 41.719 42.059 -0.074 0.000 0.896 254 L HN 0.267 nan 8.230 nan 0.000 0.432 255 D N -0.645 119.619 120.400 -0.226 0.000 2.144 255 D HA -0.155 4.486 4.640 0.001 0.000 0.200 255 D C 2.094 178.296 176.300 -0.163 0.000 0.978 255 D CA 1.183 55.060 54.000 -0.204 0.000 0.833 255 D CB 0.173 40.844 40.800 -0.214 0.000 0.961 255 D HN 0.374 nan 8.370 nan 0.000 0.470 256 A N 0.249 122.940 122.820 -0.215 0.000 1.968 256 A HA 0.143 4.463 4.320 0.001 0.000 0.217 256 A C 2.294 179.857 177.584 -0.035 0.000 1.169 256 A CA 1.561 53.544 52.037 -0.090 0.000 0.638 256 A CB -0.789 18.210 19.000 -0.002 0.000 0.812 256 A HN 0.317 nan 8.150 nan 0.000 0.446 257 A N -0.544 122.251 122.820 -0.042 0.000 1.930 257 A HA 0.036 4.357 4.320 0.001 0.000 0.217 257 A C 2.181 179.757 177.584 -0.013 0.000 1.175 257 A CA 1.630 53.671 52.037 0.006 0.000 0.627 257 A CB -0.740 18.313 19.000 0.089 0.000 0.815 257 A HN 0.328 nan 8.150 nan 0.000 0.443 258 V N -0.178 119.735 119.914 -0.002 0.000 2.358 258 V HA -0.168 3.953 4.120 0.001 0.000 0.246 258 V C 2.807 178.875 176.094 -0.045 0.000 1.047 258 V CA 1.975 64.265 62.300 -0.016 0.000 1.035 258 V CB -1.275 30.502 31.823 -0.076 0.000 0.658 258 V HN 0.604 nan 8.190 nan 0.000 0.452 259 G N -0.704 108.065 108.800 -0.050 0.000 2.422 259 G HA2 -0.237 3.723 3.960 0.001 0.000 0.218 259 G HA3 -0.237 3.723 3.960 0.001 0.000 0.218 259 G C 1.688 176.583 174.900 -0.009 0.000 1.146 259 G CA 1.516 46.594 45.100 -0.037 0.000 0.769 259 G HN 0.468 nan 8.290 nan 0.000 0.547 260 T N 1.405 115.960 114.554 0.001 0.000 2.708 260 T HA -0.085 4.265 4.350 0.001 0.000 0.266 260 T C 2.290 176.993 174.700 0.005 0.000 1.037 260 T CA 0.871 62.977 62.100 0.010 0.000 1.146 260 T CB -0.171 68.704 68.868 0.013 0.000 0.865 260 T HN 0.031 nan 8.240 nan 0.000 0.435 261 L N 0.552 121.764 121.223 -0.019 0.000 2.083 261 L HA 0.055 4.396 4.340 0.001 0.000 0.209 261 L C 2.283 179.168 176.870 0.025 0.000 1.083 261 L CA 1.483 56.315 54.840 -0.014 0.000 0.752 261 L CB -1.014 41.029 42.059 -0.026 0.000 0.899 261 L HN 0.249 nan 8.230 nan 0.000 0.433 262 M N -1.477 118.133 119.600 0.017 0.000 2.254 262 M HA -0.062 4.418 4.480 0.001 0.000 0.265 262 M C 2.189 178.522 176.300 0.055 0.000 1.066 262 M CA 1.239 56.559 55.300 0.033 0.000 1.123 262 M CB -1.483 31.099 32.600 -0.030 0.000 1.388 262 M HN 0.165 nan 8.290 nan 0.000 0.425 263 T N 0.921 115.500 114.554 0.043 0.000 2.701 263 T HA -0.026 4.325 4.350 0.001 0.000 0.263 263 T C 1.909 176.650 174.700 0.069 0.000 1.040 263 T CA 1.622 63.754 62.100 0.053 0.000 1.147 263 T CB -0.342 68.551 68.868 0.042 0.000 0.865 263 T HN 0.442 nan 8.240 nan 0.000 0.426 264 A N 1.078 123.942 122.820 0.074 0.000 1.917 264 A HA -0.113 4.207 4.320 0.001 0.000 0.219 264 A C 2.260 179.879 177.584 0.059 0.000 1.182 264 A CA 1.539 53.626 52.037 0.083 0.000 0.633 264 A CB -0.901 18.141 19.000 0.070 0.000 0.819 264 A HN 0.536 nan 8.150 nan 0.000 0.448 265 I N -0.533 120.086 120.570 0.080 0.000 2.315 265 I HA -0.160 4.010 4.170 0.001 0.000 0.248 265 I C 2.677 178.867 176.117 0.122 0.000 1.117 265 I CA 1.007 62.382 61.300 0.125 0.000 1.404 265 I CB -0.524 37.586 38.000 0.184 0.000 1.071 265 I HN 0.390 nan 8.210 nan 0.000 0.419 266 G N 0.568 109.434 108.800 0.111 0.000 2.480 266 G HA2 -0.281 3.680 3.960 0.001 0.000 0.216 266 G HA3 -0.281 3.680 3.960 0.001 0.000 0.216 266 G C 1.263 176.215 174.900 0.085 0.000 1.200 266 G CA 1.130 46.292 45.100 0.103 0.000 0.782 266 G HN 0.267 nan 8.290 nan 0.000 0.554 267 D N 0.598 121.044 120.400 0.077 0.000 2.172 267 D HA -0.108 4.533 4.640 0.001 0.000 0.196 267 D C 2.286 178.625 176.300 0.064 0.000 0.999 267 D CA 0.735 54.778 54.000 0.071 0.000 0.856 267 D CB -0.276 40.575 40.800 0.085 0.000 0.934 267 D HN 0.334 nan 8.370 nan 0.000 0.453 268 L N -0.711 120.548 121.223 0.061 0.000 2.629 268 L HA 0.244 4.584 4.340 0.001 0.000 0.230 268 L C 1.237 178.148 176.870 0.069 0.000 1.151 268 L CA 0.164 55.035 54.840 0.052 0.000 0.924 268 L CB -0.411 41.668 42.059 0.034 0.000 1.137 268 L HN 0.049 nan 8.230 nan 0.000 0.457 269 G N 1.250 110.096 108.800 0.077 0.000 2.249 269 G HA2 -0.286 3.674 3.960 0.001 0.000 0.273 269 G HA3 -0.286 3.674 3.960 0.001 0.000 0.273 269 G C 0.531 175.491 174.900 0.101 0.000 1.036 269 G CA 0.286 45.435 45.100 0.083 0.000 0.824 269 G HN 0.438 nan 8.290 nan 0.000 0.504 270 L N -0.735 120.563 121.223 0.125 0.000 2.769 270 L HA 0.338 4.679 4.340 0.001 0.000 0.240 270 L C 2.592 179.564 176.870 0.170 0.000 1.163 270 L CA -0.411 54.517 54.840 0.146 0.000 0.962 270 L CB -0.106 42.062 42.059 0.181 0.000 1.258 270 L HN 0.265 nan 8.230 nan 0.000 0.513 271 L N 1.163 122.492 121.223 0.176 0.000 1.956 271 L HA -0.257 4.083 4.340 0.001 0.000 0.216 271 L C 2.956 179.970 176.870 0.240 0.000 1.073 271 L CA 2.322 57.291 54.840 0.215 0.000 0.762 271 L CB -0.756 41.426 42.059 0.206 0.000 0.889 271 L HN 0.498 nan 8.230 nan 0.000 0.433 272 E N -0.385 119.945 120.200 0.218 0.000 2.516 272 E HA -0.080 4.271 4.350 0.001 0.000 0.199 272 E C 1.574 178.418 176.600 0.407 0.000 1.069 272 E CA 0.974 57.547 56.400 0.289 0.000 0.876 272 E CB -0.368 29.444 29.700 0.187 0.000 0.843 272 E HN 0.544 nan 8.360 nan 0.000 0.530 273 E N -0.745 119.629 120.200 0.290 0.000 2.526 273 E HA 0.161 4.511 4.350 0.001 0.000 0.208 273 E C -0.083 176.536 176.600 0.033 0.000 0.997 273 E CA 0.250 56.791 56.400 0.235 0.000 0.961 273 E CB 1.358 31.134 29.700 0.127 0.000 1.030 273 E HN 0.510 nan 8.360 nan 0.000 0.483 274 T N 1.852 116.407 114.554 0.002 0.000 2.786 274 T HA 0.439 4.789 4.350 0.001 0.000 0.283 274 T C -0.617 173.830 174.700 -0.422 0.000 0.992 274 T CA -0.519 61.451 62.100 -0.216 0.000 0.954 274 T CB 1.180 70.054 68.868 0.009 0.000 0.934 274 T HN 0.118 nan 8.240 nan 0.000 0.440 275 L N 5.645 126.398 121.223 -0.782 0.000 2.361 275 L HA 0.487 4.827 4.340 0.001 0.000 0.278 275 L C -0.755 176.046 176.870 -0.116 0.000 1.113 275 L CA 0.128 54.586 54.840 -0.637 0.000 0.849 275 L CB 0.344 41.960 42.059 -0.738 0.000 1.155 275 L HN 0.418 nan 8.230 nan 0.000 0.452 276 V N 7.481 127.458 119.914 0.104 0.000 2.378 276 V HA 0.438 4.558 4.120 0.001 0.000 0.288 276 V C 0.098 176.330 176.094 0.230 0.000 1.016 276 V CA -0.423 62.001 62.300 0.207 0.000 0.840 276 V CB 1.337 33.331 31.823 0.285 0.000 0.994 276 V HN 0.612 nan 8.190 nan 0.000 0.431 277 I N 5.330 126.020 120.570 0.202 0.000 2.377 277 I HA 0.468 4.639 4.170 0.001 0.000 0.293 277 I C -0.854 175.404 176.117 0.235 0.000 0.987 277 I CA -0.435 60.981 61.300 0.193 0.000 1.185 277 I CB 1.657 39.731 38.000 0.124 0.000 1.341 277 I HN 0.561 nan 8.210 nan 0.000 0.455 278 F N 6.565 126.553 119.950 0.062 0.000 2.467 278 F HA 0.672 5.200 4.527 0.001 0.000 0.336 278 F C -0.215 175.571 175.800 -0.024 0.000 1.123 278 F CA 0.076 58.107 58.000 0.053 0.000 0.964 278 F CB 1.243 40.272 39.000 0.048 0.000 1.136 278 F HN 0.552 nan 8.300 nan 0.000 0.447 279 T N 2.583 116.807 114.554 -0.551 0.000 2.587 279 T HA 0.924 5.275 4.350 0.001 0.000 0.282 279 T C -1.163 173.152 174.700 -0.642 0.000 1.018 279 T CA -0.742 61.044 62.100 -0.523 0.000 1.120 279 T CB 1.067 69.832 68.868 -0.170 0.000 1.538 279 T HN 0.829 nan 8.240 nan 0.000 0.480 280 A N 0.659 123.246 122.820 -0.389 0.000 2.594 280 A HA 0.640 4.961 4.320 0.001 0.000 0.295 280 A C 0.274 177.442 177.584 -0.693 0.000 1.071 280 A CA -0.259 51.394 52.037 -0.640 0.000 0.685 280 A CB 1.168 19.913 19.000 -0.426 0.000 1.285 280 A HN 0.816 nan 8.150 nan 0.000 0.405 281 D N 0.769 120.545 120.400 -1.040 0.000 2.178 281 D HA -0.067 4.573 4.640 0.001 0.000 0.202 281 D C 0.334 176.556 176.300 -0.129 0.000 0.974 281 D CA 1.748 55.389 54.000 -0.598 0.000 0.841 281 D CB -0.171 40.352 40.800 -0.463 0.000 0.953 281 D HN 0.762 nan 8.370 nan 0.000 0.478 282 N N -1.966 116.670 118.700 -0.107 0.000 3.348 282 N HA 0.223 4.964 4.740 0.001 0.000 0.233 282 N C 0.045 175.556 175.510 0.003 0.000 1.440 282 N CA -0.471 52.575 53.050 -0.007 0.000 0.887 282 N CB 0.781 39.271 38.487 0.005 0.000 1.410 282 N HN 0.048 nan 8.380 nan 0.000 0.502 283 G N -0.133 108.688 108.800 0.035 0.000 2.712 283 G HA2 0.346 4.306 3.960 0.001 0.000 0.258 283 G HA3 0.346 4.306 3.960 0.001 0.000 0.258 283 G C -2.401 172.527 174.900 0.047 0.000 1.241 283 G CA -0.637 44.490 45.100 0.045 0.000 0.923 283 G HN 0.533 nan 8.290 nan 0.000 0.548 284 P HA 0.146 nan 4.420 nan 0.000 0.275 284 P C -0.628 176.699 177.300 0.044 0.000 1.228 284 P CA -0.195 62.931 63.100 0.045 0.000 0.786 284 P CB 1.171 32.874 31.700 0.004 0.000 0.927 285 E N 1.105 121.332 120.200 0.045 0.000 1.924 285 E HA 0.094 4.445 4.350 0.001 0.000 0.261 285 E C 0.884 177.494 176.600 0.016 0.000 1.088 285 E CA -0.173 56.261 56.400 0.057 0.000 0.909 285 E CB -0.110 29.623 29.700 0.055 0.000 1.112 285 E HN 0.396 nan 8.360 nan 0.000 0.425 286 T N 1.556 116.119 114.554 0.015 0.000 3.035 286 T HA -0.159 4.191 4.350 0.001 0.000 0.268 286 T C 1.715 176.399 174.700 -0.028 0.000 1.109 286 T CA 0.268 62.356 62.100 -0.021 0.000 1.119 286 T CB -0.001 68.863 68.868 -0.007 0.000 0.900 286 T HN 0.456 nan 8.240 nan 0.000 0.503 287 M N 0.919 120.508 119.600 -0.018 0.000 2.260 287 M HA -0.092 4.388 4.480 0.001 0.000 0.261 287 M C 1.375 177.636 176.300 -0.065 0.000 1.066 287 M CA 1.411 56.680 55.300 -0.052 0.000 1.082 287 M CB -0.256 32.308 32.600 -0.060 0.000 1.388 287 M HN 0.128 nan 8.290 nan 0.000 0.419 288 R N 0.156 120.627 120.500 -0.048 0.000 2.320 288 R HA 0.180 4.521 4.340 0.001 0.000 0.211 288 R C 1.021 177.312 176.300 -0.015 0.000 0.931 288 R CA 0.170 56.252 56.100 -0.031 0.000 1.071 288 R CB -0.572 29.745 30.300 0.028 0.000 1.025 288 R HN 0.573 nan 8.270 nan 0.000 0.495 289 M N -0.910 118.666 119.600 -0.041 0.000 7.319 289 M HA -0.376 4.105 4.480 0.001 0.000 0.305 289 M C 1.377 177.644 176.300 -0.056 0.000 0.480 289 M CA 2.213 57.487 55.300 -0.043 0.000 1.311 289 M CB -1.492 31.091 32.600 -0.028 0.000 0.421 289 M HN 0.247 nan 8.290 nan 0.000 0.680 290 S N 0.635 116.316 115.700 -0.032 0.000 2.607 290 S HA 0.092 4.563 4.470 0.001 0.000 0.224 290 S C 1.156 175.752 174.600 -0.006 0.000 0.969 290 S CA 1.138 59.317 58.200 -0.034 0.000 0.927 290 S CB -0.275 62.920 63.200 -0.008 0.000 0.772 290 S HN 0.523 nan 8.310 nan 0.000 0.533 291 R N 0.513 121.037 120.500 0.039 0.000 2.359 291 R HA 0.348 4.688 4.340 0.001 0.000 0.231 291 R C 1.007 177.410 176.300 0.170 0.000 0.913 291 R CA 0.254 56.447 56.100 0.155 0.000 1.075 291 R CB 0.546 30.965 30.300 0.199 0.000 1.087 291 R HN 0.477 nan 8.270 nan 0.000 0.515 292 G N -1.084 107.653 108.800 -0.105 0.000 2.932 292 G HA2 0.543 4.504 3.960 0.001 0.000 0.283 292 G HA3 0.543 4.504 3.960 0.001 0.000 0.283 292 G C -0.235 174.115 174.900 -0.917 0.000 1.336 292 G CA -0.599 44.369 45.100 -0.220 0.000 1.056 292 G HN 0.141 nan 8.290 nan 0.000 0.522 293 G N -2.125 106.254 108.800 -0.702 0.000 2.508 293 G HA2 0.433 4.394 3.960 0.001 0.000 0.278 293 G HA3 0.433 4.394 3.960 0.001 0.000 0.278 293 G C -0.732 173.970 174.900 -0.330 0.000 1.389 293 G CA 0.016 44.684 45.100 -0.720 0.000 1.050 293 G HN 1.129 nan 8.290 nan 0.000 0.522 294 C N -0.484 118.735 119.300 -0.137 0.000 2.608 294 C HA 0.614 5.075 4.460 0.001 0.000 0.325 294 C C 1.221 176.251 174.990 0.066 0.000 1.147 294 C CA -0.043 58.968 59.018 -0.012 0.000 1.359 294 C CB 0.849 28.640 27.740 0.086 0.000 1.912 294 C HN 0.879 nan 8.230 nan 0.000 0.466 295 S N 4.050 119.789 115.700 0.066 0.000 2.577 295 S HA 0.481 4.952 4.470 0.001 0.000 0.219 295 S C 1.164 175.857 174.600 0.155 0.000 0.962 295 S CA 0.906 59.168 58.200 0.104 0.000 0.921 295 S CB -0.223 63.004 63.200 0.046 0.000 0.789 295 S HN 2.424 nan 8.310 nan 0.000 0.497 296 G N 3.168 112.055 108.800 0.145 0.000 2.556 296 G HA2 -0.361 3.600 3.960 0.001 0.000 0.283 296 G HA3 -0.361 3.600 3.960 0.001 0.000 0.283 296 G C 0.632 175.585 174.900 0.089 0.000 1.177 296 G CA 0.247 45.443 45.100 0.160 0.000 0.978 296 G HN 1.191 nan 8.290 nan 0.000 0.554 297 L N -0.132 121.149 121.223 0.097 0.000 2.599 297 L HA 0.571 4.911 4.340 0.001 0.000 0.230 297 L C 1.179 178.025 176.870 -0.040 0.000 1.141 297 L CA -0.042 54.810 54.840 0.022 0.000 0.877 297 L CB -0.388 41.690 42.059 0.032 0.000 1.009 297 L HN 0.390 nan 8.230 nan 0.000 0.447 298 L N 0.817 122.008 121.223 -0.053 0.000 2.456 298 L HA 0.364 4.705 4.340 0.001 0.000 0.257 298 L C 0.539 177.345 176.870 -0.106 0.000 1.162 298 L CA -0.512 54.258 54.840 -0.117 0.000 0.808 298 L CB 0.614 42.567 42.059 -0.176 0.000 1.136 298 L HN 0.120 nan 8.230 nan 0.000 0.466 299 R N 0.284 120.699 120.500 -0.141 0.000 2.349 299 R HA 0.411 4.751 4.340 0.001 0.000 0.299 299 R C -0.430 175.788 176.300 -0.136 0.000 1.027 299 R CA -0.161 55.819 56.100 -0.200 0.000 0.958 299 R CB 0.650 30.745 30.300 -0.342 0.000 1.047 299 R HN 0.854 nan 8.270 nan 0.000 0.468 300 c N 0.772 119.294 118.600 -0.129 0.000 0.168 300 c HA -0.128 4.443 4.570 0.001 0.000 0.017 300 c C 0.972 175.085 174.090 0.039 0.000 0.171 300 c CA -0.066 56.244 56.329 -0.032 0.000 0.499 300 c CB -1.590 40.924 42.510 0.006 0.000 3.212 300 c HN 1.077 nan 8.230 nan 0.000 1.118 301 G N -0.576 108.280 108.800 0.094 0.000 2.694 301 G HA2 0.550 4.510 3.960 0.001 0.000 0.246 301 G HA3 0.550 4.510 3.960 0.001 0.000 0.246 301 G C -1.072 173.893 174.900 0.109 0.000 1.205 301 G CA 0.138 45.289 45.100 0.086 0.000 0.891 301 G HN 1.085 nan 8.290 nan 0.000 0.515 302 K N 0.178 120.633 120.400 0.091 0.000 2.550 302 K HA 0.326 4.646 4.320 0.001 0.000 0.280 302 K C 1.288 177.960 176.600 0.120 0.000 0.987 302 K CA 1.795 58.123 56.287 0.068 0.000 1.048 302 K CB -0.046 32.477 32.500 0.037 0.000 0.879 302 K HN 1.792 nan 8.250 nan 0.000 0.491 303 G N 2.022 110.870 108.800 0.080 0.000 2.234 303 G HA2 -0.280 3.680 3.960 0.001 0.000 0.235 303 G HA3 -0.280 3.680 3.960 0.001 0.000 0.235 303 G C 0.154 175.156 174.900 0.169 0.000 0.997 303 G CA 0.441 45.632 45.100 0.152 0.000 0.623 303 G HN 0.911 nan 8.290 nan 0.000 0.514 304 T N -2.200 112.452 114.554 0.163 0.000 2.938 304 T HA 0.626 4.977 4.350 0.001 0.000 0.285 304 T C 1.161 175.919 174.700 0.096 0.000 1.028 304 T CA 0.870 63.069 62.100 0.165 0.000 1.005 304 T CB 1.663 70.699 68.868 0.281 0.000 1.157 304 T HN 0.890 nan 8.240 nan 0.000 0.550 305 T N -1.720 112.851 114.554 0.029 0.000 3.145 305 T HA 0.268 4.619 4.350 0.001 0.000 0.255 305 T C -0.023 174.594 174.700 -0.137 0.000 1.039 305 T CA -0.456 61.619 62.100 -0.041 0.000 0.928 305 T CB -0.897 68.022 68.868 0.086 0.000 1.029 305 T HN 0.567 nan 8.240 nan 0.000 0.554 306 Y N 2.049 122.405 120.300 0.093 0.000 2.296 306 Y HA 0.274 4.824 4.550 0.000 0.000 0.343 306 Y C 1.853 177.720 175.900 -0.054 0.000 1.292 306 Y CA -0.815 57.323 58.100 0.062 0.000 1.490 306 Y CB 0.565 39.018 38.460 -0.011 0.000 1.359 306 Y HN -0.014 nan 8.280 nan 0.000 0.599 307 E N 1.105 121.374 120.200 0.116 0.000 2.160 307 E HA -0.148 4.203 4.350 0.001 0.000 0.195 307 E C 2.172 178.752 176.600 -0.033 0.000 0.991 307 E CA 1.216 57.610 56.400 -0.010 0.000 0.810 307 E CB -0.494 29.170 29.700 -0.060 0.000 0.742 307 E HN 1.004 nan 8.360 nan 0.000 0.466 308 G N 0.445 109.248 108.800 0.005 0.000 2.471 308 G HA2 -0.153 3.807 3.960 0.001 0.000 0.219 308 G HA3 -0.153 3.807 3.960 0.001 0.000 0.219 308 G C 1.510 176.436 174.900 0.043 0.000 1.125 308 G CA 0.827 45.931 45.100 0.006 0.000 0.775 308 G HN 0.386 nan 8.290 nan 0.000 0.548 309 G N -0.157 108.684 108.800 0.068 0.000 2.744 309 G HA2 0.158 4.118 3.960 0.001 0.000 0.211 309 G HA3 0.158 4.118 3.960 0.001 0.000 0.211 309 G C 1.463 176.404 174.900 0.069 0.000 1.146 309 G CA 1.204 46.348 45.100 0.073 0.000 0.787 309 G HN 0.672 nan 8.290 nan 0.000 0.534 310 V N -3.104 116.843 119.914 0.055 0.000 3.604 310 V HA 0.465 4.586 4.120 0.001 0.000 0.277 310 V C 0.809 176.989 176.094 0.144 0.000 1.399 310 V CA -0.334 62.051 62.300 0.141 0.000 1.034 310 V CB -0.032 31.875 31.823 0.140 0.000 0.824 310 V HN 0.092 nan 8.190 nan 0.000 0.439 311 R N 1.995 122.477 120.500 -0.030 0.000 2.202 311 R HA 0.404 4.745 4.340 0.001 0.000 0.334 311 R C -0.649 175.668 176.300 0.028 0.000 1.036 311 R CA -0.175 55.772 56.100 -0.255 0.000 0.878 311 R CB 0.623 30.636 30.300 -0.479 0.000 1.067 311 R HN 0.454 nan 8.270 nan 0.000 0.457 312 E N 4.847 125.126 120.200 0.132 0.000 2.235 312 E HA 0.399 4.750 4.350 0.001 0.000 0.265 312 E C -2.426 174.237 176.600 0.105 0.000 0.940 312 E CA -2.435 54.055 56.400 0.150 0.000 0.819 312 E CB 1.462 31.250 29.700 0.147 0.000 1.206 312 E HN 0.476 nan 8.360 nan 0.000 0.409 313 P HA 0.233 nan 4.420 nan 0.000 0.269 313 P C -1.224 176.015 177.300 -0.101 0.000 1.215 313 P CA -0.154 62.694 63.100 -0.420 0.000 0.780 313 P CB 0.567 31.949 31.700 -0.531 0.000 0.898 314 A N 2.684 125.556 122.820 0.087 0.000 2.512 314 A HA 0.627 4.947 4.320 0.001 0.000 0.294 314 A C -1.429 176.283 177.584 0.215 0.000 1.054 314 A CA -0.540 51.410 52.037 -0.145 0.000 0.756 314 A CB 0.647 19.046 19.000 -1.002 0.000 1.293 314 A HN 0.391 nan 8.150 nan 0.000 0.395 315 L N 1.498 122.859 121.223 0.230 0.000 2.362 315 L HA 0.895 5.235 4.340 0.001 0.000 0.271 315 L C 0.208 177.277 176.870 0.331 0.000 1.002 315 L CA -0.774 54.270 54.840 0.341 0.000 0.818 315 L CB 2.281 44.515 42.059 0.292 0.000 1.298 315 L HN 0.899 nan 8.230 nan 0.000 0.420 316 A N 2.747 125.811 122.820 0.405 0.000 2.359 316 A HA 0.790 5.110 4.320 0.001 0.000 0.303 316 A C -1.587 176.249 177.584 0.419 0.000 1.066 316 A CA -0.319 51.951 52.037 0.388 0.000 0.730 316 A CB 1.270 20.533 19.000 0.438 0.000 1.211 316 A HN 0.556 nan 8.150 nan 0.000 0.439 317 F N 3.226 123.308 119.950 0.220 0.000 2.562 317 F HA 0.693 5.220 4.527 0.001 0.000 0.319 317 F C -1.937 174.040 175.800 0.295 0.000 1.154 317 F CA -0.704 57.431 58.000 0.224 0.000 0.931 317 F CB 1.580 40.681 39.000 0.168 0.000 1.198 317 F HN 0.614 nan 8.300 nan 0.000 0.444 318 W N 10.445 131.514 121.300 -0.385 0.000 2.183 318 W HA 0.416 5.077 4.660 0.001 0.000 0.289 318 W C -3.068 173.288 176.519 -0.273 0.000 1.029 318 W CA -2.898 54.299 57.345 -0.246 0.000 1.264 318 W CB 0.713 30.128 29.460 -0.076 0.000 1.232 318 W HN 0.346 nan 8.180 nan 0.000 0.311 319 P HA 0.230 nan 4.420 nan 0.000 0.262 319 P C 0.962 178.224 177.300 -0.063 0.000 1.182 319 P CA 2.276 65.248 63.100 -0.213 0.000 0.761 319 P CB 0.714 32.305 31.700 -0.182 0.000 0.795 320 G N 2.108 110.809 108.800 -0.165 0.000 2.179 320 G HA2 -0.305 3.655 3.960 0.001 0.000 0.260 320 G HA3 -0.305 3.655 3.960 0.001 0.000 0.260 320 G C 0.683 175.230 174.900 -0.589 0.000 0.977 320 G CA 0.631 45.548 45.100 -0.304 0.000 0.641 320 G HN 0.633 nan 8.290 nan 0.000 0.533 321 H N -0.899 117.870 119.070 -0.501 0.000 2.521 321 H HA 0.493 5.049 4.556 0.001 0.000 0.267 321 H C 1.023 176.163 175.328 -0.313 0.000 0.963 321 H CA 0.418 56.090 56.048 -0.626 0.000 1.175 321 H CB 0.604 29.468 29.762 -1.498 0.000 1.450 321 H HN 0.390 nan 8.280 nan 0.000 0.472 322 I N 1.663 122.209 120.570 -0.040 0.000 2.330 322 I HA 0.439 4.609 4.170 0.001 0.000 0.289 322 I C -0.191 175.913 176.117 -0.021 0.000 1.001 322 I CA -0.898 60.422 61.300 0.033 0.000 1.193 322 I CB 1.491 39.580 38.000 0.148 0.000 1.345 322 I HN 0.180 nan 8.210 nan 0.000 0.461 323 A N 8.130 130.931 122.820 -0.030 0.000 2.340 323 A HA 0.645 4.965 4.320 0.001 0.000 0.268 323 A C -2.383 175.194 177.584 -0.012 0.000 1.100 323 A CA -1.398 50.617 52.037 -0.037 0.000 0.803 323 A CB -0.204 18.769 19.000 -0.044 0.000 1.043 323 A HN 0.423 nan 8.150 nan 0.000 0.488 324 P HA 0.366 nan 4.420 nan 0.000 0.264 324 P C 0.530 177.825 177.300 -0.009 0.000 1.183 324 P CA 1.254 64.366 63.100 0.020 0.000 0.763 324 P CB 0.625 32.339 31.700 0.024 0.000 0.807 325 G N 0.337 109.126 108.800 -0.019 0.000 2.323 325 G HA2 0.368 4.329 3.960 0.001 0.000 0.291 325 G HA3 0.368 4.329 3.960 0.001 0.000 0.291 325 G C -2.012 172.833 174.900 -0.092 0.000 1.278 325 G CA -0.550 44.515 45.100 -0.058 0.000 0.860 325 G HN 0.361 nan 8.290 nan 0.000 0.504 326 V N 1.252 121.078 119.914 -0.146 0.000 2.482 326 V HA 0.681 4.801 4.120 0.001 0.000 0.295 326 V C -0.121 175.779 176.094 -0.324 0.000 1.026 326 V CA -0.368 61.806 62.300 -0.210 0.000 0.856 326 V CB 1.285 32.989 31.823 -0.198 0.000 1.001 326 V HN 1.072 nan 8.190 nan 0.000 0.424 327 T N 1.088 115.434 114.554 -0.346 0.000 2.918 327 T HA 0.547 4.898 4.350 0.001 0.000 0.286 327 T C 0.276 174.854 174.700 -0.204 0.000 1.026 327 T CA -0.521 61.380 62.100 -0.331 0.000 1.031 327 T CB 1.869 70.552 68.868 -0.308 0.000 1.046 327 T HN 0.704 nan 8.240 nan 0.000 0.479 328 H N -1.149 117.953 119.070 0.054 0.000 2.755 328 H HA 0.271 4.827 4.556 0.001 0.000 0.273 328 H C 0.444 175.855 175.328 0.137 0.000 1.055 328 H CA -0.402 55.713 56.048 0.113 0.000 1.191 328 H CB 0.807 30.617 29.762 0.081 0.000 1.536 328 H HN 0.551 nan 8.280 nan 0.000 0.529 329 E N 1.464 121.787 120.200 0.206 0.000 2.374 329 E HA 0.154 4.505 4.350 0.001 0.000 0.260 329 E C -0.305 176.470 176.600 0.292 0.000 1.101 329 E CA -0.429 56.093 56.400 0.203 0.000 0.907 329 E CB 1.341 31.119 29.700 0.129 0.000 1.014 329 E HN 0.228 nan 8.360 nan 0.000 0.427 330 L N 1.635 122.995 121.223 0.228 0.000 2.410 330 L HA 0.345 4.686 4.340 0.001 0.000 0.273 330 L C 0.092 177.125 176.870 0.272 0.000 1.152 330 L CA -0.129 54.863 54.840 0.253 0.000 0.855 330 L CB 0.369 42.509 42.059 0.135 0.000 1.129 330 L HN 0.521 nan 8.230 nan 0.000 0.463 331 A N 2.815 125.815 122.820 0.300 0.000 2.572 331 A HA 0.743 5.064 4.320 0.001 0.000 0.295 331 A C -0.920 176.544 177.584 -0.201 0.000 1.072 331 A CA -0.442 51.701 52.037 0.176 0.000 0.691 331 A CB 2.223 21.485 19.000 0.436 0.000 1.291 331 A HN 0.536 nan 8.150 nan 0.000 0.404 332 S N -0.701 114.792 115.700 -0.346 0.000 2.599 332 S HA 0.551 5.021 4.470 0.001 0.000 0.287 332 S C 1.280 175.567 174.600 -0.521 0.000 1.105 332 S CA 0.313 58.170 58.200 -0.573 0.000 0.899 332 S CB 1.551 64.647 63.200 -0.173 0.000 1.100 332 S HN 1.841 nan 8.310 nan 0.000 0.482 333 S N 2.826 118.299 115.700 -0.378 0.000 2.419 333 S HA -0.098 4.373 4.470 0.001 0.000 0.235 333 S C 1.704 176.302 174.600 -0.002 0.000 1.019 333 S CA 0.853 59.096 58.200 0.073 0.000 0.982 333 S CB -0.506 62.801 63.200 0.178 0.000 0.789 333 S HN 0.583 nan 8.310 nan 0.000 0.490 334 L N 2.299 123.490 121.223 -0.053 0.000 2.265 334 L HA 0.011 4.351 4.340 0.001 0.000 0.215 334 L C 1.419 178.257 176.870 -0.053 0.000 1.117 334 L CA 1.457 56.259 54.840 -0.064 0.000 0.782 334 L CB -1.039 40.977 42.059 -0.071 0.000 0.914 334 L HN 0.305 nan 8.230 nan 0.000 0.441 335 D N -1.458 118.941 120.400 -0.003 0.000 2.354 335 D HA -0.012 4.628 4.640 0.001 0.000 0.209 335 D C 2.162 178.493 176.300 0.052 0.000 1.015 335 D CA 0.268 54.299 54.000 0.053 0.000 0.867 335 D CB 0.361 41.251 40.800 0.150 0.000 0.933 335 D HN 0.364 nan 8.370 nan 0.000 0.520 336 L N -0.119 121.127 121.223 0.037 0.000 2.341 336 L HA 0.004 4.344 4.340 0.001 0.000 0.214 336 L C 1.893 178.729 176.870 -0.057 0.000 1.115 336 L CA 0.486 55.338 54.840 0.020 0.000 0.820 336 L CB -0.150 41.954 42.059 0.075 0.000 0.944 336 L HN -0.075 nan 8.230 nan 0.000 0.452 337 L N 2.668 123.833 121.223 -0.097 0.000 1.955 337 L HA 0.001 4.342 4.340 0.001 0.000 0.213 337 L C -0.456 176.346 176.870 -0.113 0.000 1.072 337 L CA 2.176 56.931 54.840 -0.142 0.000 0.755 337 L CB -2.997 38.971 42.059 -0.152 0.000 0.888 337 L HN 0.154 nan 8.230 nan 0.000 0.432 338 P HA -0.130 nan 4.420 nan 0.000 0.217 338 P C 1.548 178.841 177.300 -0.010 0.000 1.148 338 P CA 1.905 64.977 63.100 -0.046 0.000 0.828 338 P CB -0.336 31.340 31.700 -0.039 0.000 0.783 339 T N 0.047 114.609 114.554 0.012 0.000 2.812 339 T HA 0.008 4.359 4.350 0.001 0.000 0.264 339 T C 1.919 176.620 174.700 0.002 0.000 1.042 339 T CA 0.865 62.993 62.100 0.046 0.000 1.140 339 T CB -0.590 68.332 68.868 0.090 0.000 0.870 339 T HN 0.076 nan 8.240 nan 0.000 0.445 340 L N 0.670 121.856 121.223 -0.062 0.000 2.095 340 L HA 0.045 4.385 4.340 0.001 0.000 0.204 340 L C 3.098 179.872 176.870 -0.159 0.000 1.080 340 L CA 0.917 55.674 54.840 -0.138 0.000 0.759 340 L CB -0.743 41.182 42.059 -0.223 0.000 0.914 340 L HN 0.233 nan 8.230 nan 0.000 0.439 341 A N 0.569 123.300 122.820 -0.148 0.000 1.873 341 A HA -0.284 4.037 4.320 0.001 0.000 0.218 341 A C 2.552 180.104 177.584 -0.053 0.000 1.193 341 A CA 2.194 54.159 52.037 -0.120 0.000 0.629 341 A CB -0.869 18.072 19.000 -0.098 0.000 0.826 341 A HN 0.412 nan 8.150 nan 0.000 0.447 342 A N -0.837 121.972 122.820 -0.019 0.000 1.873 342 A HA -0.109 4.212 4.320 0.001 0.000 0.218 342 A C 1.992 179.600 177.584 0.040 0.000 1.193 342 A CA 1.910 53.959 52.037 0.021 0.000 0.629 342 A CB -0.688 18.340 19.000 0.047 0.000 0.826 342 A HN 0.436 nan 8.150 nan 0.000 0.447 343 L N -1.031 120.217 121.223 0.041 0.000 2.261 343 L HA -0.066 4.275 4.340 0.001 0.000 0.216 343 L C 2.420 179.333 176.870 0.072 0.000 1.114 343 L CA 1.717 56.604 54.840 0.079 0.000 0.777 343 L CB -1.014 41.069 42.059 0.039 0.000 0.910 343 L HN 0.456 nan 8.230 nan 0.000 0.440 344 A N -1.943 120.899 122.820 0.037 0.000 2.430 344 A HA 0.486 4.806 4.320 0.001 0.000 0.243 344 A C 1.567 179.200 177.584 0.083 0.000 1.254 344 A CA 0.444 52.539 52.037 0.096 0.000 0.914 344 A CB -0.380 18.657 19.000 0.061 0.000 0.998 344 A HN 0.422 nan 8.150 nan 0.000 0.515 345 G N -0.687 108.143 108.800 0.051 0.000 2.283 345 G HA2 0.037 3.998 3.960 0.001 0.000 0.280 345 G HA3 0.037 3.998 3.960 0.001 0.000 0.280 345 G C 0.404 175.318 174.900 0.024 0.000 1.029 345 G CA 0.642 45.765 45.100 0.039 0.000 0.840 345 G HN 1.593 nan 8.290 nan 0.000 0.505 346 A N 0.244 123.065 122.820 0.001 0.000 2.303 346 A HA 0.886 5.207 4.320 0.001 0.000 0.317 346 A C -1.466 176.100 177.584 -0.031 0.000 1.149 346 A CA -1.248 50.777 52.037 -0.020 0.000 0.822 346 A CB 1.348 20.312 19.000 -0.061 0.000 1.131 346 A HN 0.272 nan 8.150 nan 0.000 0.493 347 P HA 0.415 nan 4.420 nan 0.000 0.286 347 P C -0.755 176.517 177.300 -0.046 0.000 1.261 347 P CA -0.407 62.675 63.100 -0.029 0.000 0.821 347 P CB 0.884 32.572 31.700 -0.019 0.000 1.013 348 L N 3.862 125.059 121.223 -0.044 0.000 2.426 348 L HA 0.221 4.562 4.340 0.001 0.000 0.271 348 L C -1.302 175.536 176.870 -0.054 0.000 1.169 348 L CA -1.655 53.152 54.840 -0.056 0.000 0.836 348 L CB -0.521 41.508 42.059 -0.050 0.000 1.112 348 L HN 0.321 nan 8.230 nan 0.000 0.465 349 P HA -0.016 nan 4.420 nan 0.000 0.270 349 P C -0.198 177.073 177.300 -0.049 0.000 1.221 349 P CA -0.083 62.983 63.100 -0.057 0.000 0.788 349 P CB 0.301 31.961 31.700 -0.067 0.000 0.904 350 N N 0.151 118.827 118.700 -0.041 0.000 3.331 350 N HA 0.448 5.189 4.740 0.001 0.000 0.303 350 N C 0.005 175.492 175.510 -0.039 0.000 1.326 350 N CA -0.352 52.677 53.050 -0.035 0.000 1.207 350 N CB -0.391 nan 38.487 nan 0.000 1.477 350 N HN 0.392 nan 8.380 nan 0.000 0.541 351 V N -3.021 116.864 119.914 -0.049 0.000 3.130 351 V HA 0.752 4.873 4.120 0.001 0.000 0.310 351 V C 0.548 176.604 176.094 -0.063 0.000 1.158 351 V CA -0.736 61.532 62.300 -0.053 0.000 1.029 351 V CB 1.076 32.863 31.823 -0.059 0.000 1.057 351 V HN 0.387 nan 8.190 nan 0.000 0.436 352 T N 1.290 115.805 114.554 -0.065 0.000 2.799 352 T HA 0.563 4.914 4.350 0.001 0.000 0.296 352 T C -0.415 174.226 174.700 -0.098 0.000 0.947 352 T CA -0.093 61.960 62.100 -0.077 0.000 1.141 352 T CB -0.131 68.695 68.868 -0.070 0.000 0.891 352 T HN 0.641 nan 8.240 nan 0.000 0.533 353 L N 3.365 124.516 121.223 -0.119 0.000 2.325 353 L HA 0.448 4.788 4.340 0.001 0.000 0.278 353 L C 0.471 177.222 176.870 -0.199 0.000 1.023 353 L CA -0.863 53.887 54.840 -0.150 0.000 0.811 353 L CB 1.721 43.685 42.059 -0.159 0.000 1.249 353 L HN 0.735 nan 8.230 nan 0.000 0.431 354 D N 1.824 122.099 120.400 -0.208 0.000 2.395 354 D HA 0.184 4.825 4.640 0.001 0.000 0.213 354 D C 0.532 176.614 176.300 -0.363 0.000 1.110 354 D CA 0.192 54.050 54.000 -0.236 0.000 0.835 354 D CB 1.430 42.147 40.800 -0.138 0.000 0.965 354 D HN 0.679 nan 8.370 nan 0.000 0.505 355 G N -0.296 108.256 108.800 -0.414 0.000 3.016 355 G HA2 0.638 4.599 3.960 0.001 0.000 0.270 355 G HA3 0.638 4.599 3.960 0.001 0.000 0.270 355 G C -0.993 173.465 174.900 -0.736 0.000 1.352 355 G CA -0.496 44.332 45.100 -0.454 0.000 1.060 355 G HN -0.043 nan 8.290 nan 0.000 0.538 356 F N -1.583 118.375 119.950 0.013 0.000 2.650 356 F HA 0.391 4.919 4.527 0.001 0.000 0.320 356 F C -0.591 175.231 175.800 0.036 0.000 1.091 356 F CA -0.924 57.091 58.000 0.025 0.000 0.962 356 F CB 1.938 40.961 39.000 0.039 0.000 1.363 356 F HN 0.338 nan 8.300 nan 0.000 0.482 357 D N 1.322 121.877 120.400 0.258 0.000 2.343 357 D HA 0.227 4.867 4.640 0.001 0.000 0.255 357 D C 0.093 176.506 176.300 0.187 0.000 1.187 357 D CA 0.299 54.402 54.000 0.171 0.000 0.875 357 D CB 0.789 41.664 40.800 0.125 0.000 1.136 357 D HN 0.516 nan 8.370 nan 0.000 0.469 358 L N 3.081 124.416 121.223 0.187 0.000 2.700 358 L HA 0.033 4.373 4.340 0.001 0.000 0.234 358 L C 1.960 178.943 176.870 0.188 0.000 1.156 358 L CA -0.084 54.878 54.840 0.203 0.000 0.946 358 L CB -0.140 42.081 42.059 0.270 0.000 1.216 358 L HN 0.370 nan 8.230 nan 0.000 0.493 359 S N 0.018 115.815 115.700 0.161 0.000 2.383 359 S HA -0.071 4.400 4.470 0.001 0.000 0.229 359 S C -0.655 174.025 174.600 0.134 0.000 1.030 359 S CA 0.650 58.947 58.200 0.161 0.000 1.002 359 S CB -1.447 61.842 63.200 0.149 0.000 0.829 359 S HN 0.252 nan 8.310 nan 0.000 0.467 360 P HA -0.074 nan 4.420 nan 0.000 0.214 360 P C 1.818 179.164 177.300 0.075 0.000 1.163 360 P CA 0.685 63.832 63.100 0.077 0.000 0.883 360 P CB -0.186 31.552 31.700 0.062 0.000 0.788 361 L N -1.274 120.006 121.223 0.094 0.000 2.012 361 L HA -0.157 4.184 4.340 0.001 0.000 0.210 361 L C 2.100 179.022 176.870 0.088 0.000 1.073 361 L CA 1.964 56.855 54.840 0.084 0.000 0.748 361 L CB -1.497 40.635 42.059 0.121 0.000 0.891 361 L HN -0.162 nan 8.230 nan 0.000 0.431 362 L N -0.778 120.534 121.223 0.149 0.000 2.046 362 L HA -0.144 4.197 4.340 0.001 0.000 0.208 362 L C 2.289 179.233 176.870 0.123 0.000 1.077 362 L CA 1.733 56.676 54.840 0.173 0.000 0.747 362 L CB -0.859 41.356 42.059 0.261 0.000 0.896 362 L HN 0.288 nan 8.230 nan 0.000 0.432 363 L N -1.541 119.743 121.223 0.102 0.000 2.509 363 L HA 0.244 4.585 4.340 0.001 0.000 0.222 363 L C 1.438 178.314 176.870 0.010 0.000 1.123 363 L CA 0.596 55.464 54.840 0.046 0.000 0.856 363 L CB -0.442 41.644 42.059 0.045 0.000 0.985 363 L HN 0.444 nan 8.230 nan 0.000 0.456 364 G N 0.366 109.177 108.800 0.019 0.000 2.132 364 G HA2 -0.302 3.658 3.960 0.001 0.000 0.234 364 G HA3 -0.302 3.658 3.960 0.001 0.000 0.234 364 G C 0.804 175.703 174.900 -0.003 0.000 0.989 364 G CA 0.598 45.697 45.100 -0.002 0.000 0.676 364 G HN 0.374 nan 8.290 nan 0.000 0.522 365 T N -2.997 111.563 114.554 0.009 0.000 3.022 365 T HA 0.583 4.934 4.350 0.001 0.000 0.250 365 T C 1.250 175.958 174.700 0.014 0.000 1.060 365 T CA 1.123 63.227 62.100 0.008 0.000 1.013 365 T CB 1.162 70.037 68.868 0.012 0.000 0.982 365 T HN 1.606 nan 8.240 nan 0.000 0.508 366 G N 0.025 108.838 108.800 0.022 0.000 2.870 366 G HA2 0.634 4.595 3.960 0.001 0.000 0.299 366 G HA3 0.634 4.595 3.960 0.001 0.000 0.299 366 G C -1.714 173.200 174.900 0.023 0.000 1.324 366 G CA -1.000 44.114 45.100 0.022 0.000 0.808 366 G HN 0.232 nan 8.290 nan 0.000 0.535 367 K N -0.193 120.220 120.400 0.022 0.000 2.185 367 K HA 0.588 4.909 4.320 0.001 0.000 0.240 367 K C -0.034 176.582 176.600 0.027 0.000 0.983 367 K CA -0.449 55.850 56.287 0.021 0.000 0.873 367 K CB 1.851 34.357 32.500 0.010 0.000 1.118 367 K HN 0.495 nan 8.250 nan 0.000 0.441 368 S N 1.328 117.050 115.700 0.036 0.000 2.549 368 S HA 0.157 4.628 4.470 0.001 0.000 0.279 368 S C -1.663 172.901 174.600 -0.060 0.000 1.321 368 S CA -1.185 57.035 58.200 0.034 0.000 1.054 368 S CB 0.537 63.790 63.200 0.089 0.000 0.899 368 S HN 0.347 nan 8.310 nan 0.000 0.497 369 P HA 0.025 nan 4.420 nan 0.000 0.229 369 P C 0.194 177.144 177.300 -0.585 0.000 1.160 369 P CA 0.388 63.304 63.100 -0.308 0.000 0.777 369 P CB 0.005 31.508 31.700 -0.328 0.000 0.814 370 R N 0.508 120.700 120.500 -0.512 0.000 2.370 370 R HA 0.109 4.450 4.340 0.001 0.000 0.309 370 R C 0.806 176.978 176.300 -0.212 0.000 1.059 370 R CA 0.275 56.087 56.100 -0.479 0.000 0.981 370 R CB 0.406 30.639 30.300 -0.111 0.000 0.972 370 R HN -0.090 nan 8.270 nan 0.000 0.437 371 Q N 1.264 120.954 119.800 -0.183 0.000 2.353 371 Q HA 0.204 4.545 4.340 0.001 0.000 0.240 371 Q C -0.204 175.746 176.000 -0.085 0.000 0.868 371 Q CA 0.278 56.027 55.803 -0.090 0.000 0.944 371 Q CB 1.456 30.154 28.738 -0.067 0.000 1.104 371 Q HN 0.707 nan 8.270 nan 0.000 0.531 372 S N -0.318 115.311 115.700 -0.117 0.000 2.570 372 S HA 0.797 5.268 4.470 0.001 0.000 0.286 372 S C -1.168 173.185 174.600 -0.412 0.000 1.099 372 S CA -0.563 57.474 58.200 -0.271 0.000 0.913 372 S CB 1.527 64.545 63.200 -0.304 0.000 1.085 372 S HN 0.279 nan 8.310 nan 0.000 0.480 373 L N 2.021 122.834 121.223 -0.684 0.000 2.431 373 L HA 0.644 4.985 4.340 0.001 0.000 0.266 373 L C -1.615 174.532 176.870 -1.205 0.000 0.978 373 L CA -0.340 54.004 54.840 -0.826 0.000 0.822 373 L CB 1.352 42.935 42.059 -0.794 0.000 1.310 373 L HN 0.539 nan 8.230 nan 0.000 0.409 374 F N 2.340 121.868 119.950 -0.703 0.000 2.467 374 F HA 0.604 5.131 4.527 0.001 0.000 0.336 374 F C -0.576 174.733 175.800 -0.817 0.000 1.123 374 F CA -0.474 57.181 58.000 -0.575 0.000 0.964 374 F CB 1.315 40.136 39.000 -0.299 0.000 1.136 374 F HN 0.082 nan 8.300 nan 0.000 0.447 375 F N 2.928 122.883 119.950 0.008 0.000 2.449 375 F HA 0.506 5.033 4.527 0.001 0.000 0.342 375 F C -0.638 175.111 175.800 -0.084 0.000 1.127 375 F CA -1.245 56.754 58.000 -0.001 0.000 0.975 375 F CB 0.937 39.939 39.000 0.005 0.000 1.146 375 F HN 0.318 nan 8.300 nan 0.000 0.444 376 Y N 3.645 124.028 120.300 0.138 0.000 2.496 376 Y HA 0.516 5.067 4.550 0.001 0.000 0.331 376 Y C -2.008 173.818 175.900 -0.123 0.000 1.140 376 Y CA -2.077 56.007 58.100 -0.025 0.000 1.166 376 Y CB 1.340 39.725 38.460 -0.125 0.000 1.249 376 Y HN 0.348 nan 8.280 nan 0.000 0.479 377 P HA 0.173 nan 4.420 nan 0.000 0.284 377 P C -0.148 177.070 177.300 -0.136 0.000 1.292 377 P CA -0.321 62.584 63.100 -0.324 0.000 0.800 377 P CB 1.397 32.492 31.700 -1.009 0.000 1.188 378 S N -1.307 114.369 115.700 -0.040 0.000 2.399 378 S HA -0.106 4.365 4.470 0.001 0.000 0.231 378 S C 0.381 174.862 174.600 -0.200 0.000 1.022 378 S CA 1.476 59.652 58.200 -0.040 0.000 0.983 378 S CB -0.747 62.564 63.200 0.185 0.000 0.803 378 S HN 0.478 nan 8.310 nan 0.000 0.480 379 Y N 2.107 122.371 120.300 -0.059 0.000 2.747 379 Y HA 0.363 4.914 4.550 0.002 0.000 0.362 379 Y C -2.310 173.554 175.900 -0.059 0.000 1.026 379 Y CA -2.843 55.250 58.100 -0.011 0.000 1.135 379 Y CB 0.382 38.855 38.460 0.022 0.000 1.175 379 Y HN 0.149 nan 8.280 nan 0.000 0.643 380 P HA 0.243 nan 4.420 nan 0.000 0.274 380 P C -0.824 176.542 177.300 0.110 0.000 1.256 380 P CA -0.116 62.976 63.100 -0.013 0.000 0.795 380 P CB 1.821 33.419 31.700 -0.171 0.000 1.038 381 D N -3.294 117.204 120.400 0.164 0.000 2.622 381 D HA 0.163 4.803 4.640 0.001 0.000 0.255 381 D C 0.195 176.330 176.300 -0.275 0.000 1.246 381 D CA -0.695 53.294 54.000 -0.017 0.000 0.795 381 D CB 0.528 41.315 40.800 -0.022 0.000 1.369 381 D HN 0.211 nan 8.370 nan 0.000 0.425 382 E N -0.285 119.576 120.200 -0.565 0.000 2.285 382 E HA -0.015 4.335 4.350 0.001 0.000 0.194 382 E C 1.559 177.987 176.600 -0.287 0.000 0.997 382 E CA 0.435 56.438 56.400 -0.661 0.000 0.845 382 E CB 0.292 29.548 29.700 -0.740 0.000 0.782 382 E HN 0.360 nan 8.360 nan 0.000 0.491 383 V N 0.727 120.535 119.914 -0.177 0.000 2.346 383 V HA -0.172 3.949 4.120 0.001 0.000 0.244 383 V C 2.139 178.201 176.094 -0.055 0.000 1.037 383 V CA 1.516 63.760 62.300 -0.094 0.000 1.029 383 V CB -0.266 31.520 31.823 -0.062 0.000 0.663 383 V HN 0.164 nan 8.190 nan 0.000 0.454 384 R N -0.227 120.220 120.500 -0.088 0.000 2.093 384 R HA 0.247 4.587 4.340 0.001 0.000 0.224 384 R C 1.388 177.720 176.300 0.054 0.000 1.101 384 R CA 0.767 56.783 56.100 -0.140 0.000 0.979 384 R CB -0.298 29.690 30.300 -0.520 0.000 0.877 384 R HN 0.591 nan 8.270 nan 0.000 0.441 385 G N 0.635 109.492 108.800 0.095 0.000 2.598 385 G HA2 -0.303 3.657 3.960 0.001 0.000 0.244 385 G HA3 -0.303 3.657 3.960 0.001 0.000 0.244 385 G C -0.000 175.042 174.900 0.238 0.000 1.302 385 G CA -0.244 44.975 45.100 0.198 0.000 0.903 385 G HN 0.333 nan 8.290 nan 0.000 0.575 386 V N -2.061 117.841 119.914 -0.021 0.000 2.872 386 V HA 0.544 4.665 4.120 0.001 0.000 0.307 386 V C 1.407 177.690 176.094 0.316 0.000 1.072 386 V CA 0.766 62.907 62.300 -0.267 0.000 1.148 386 V CB 0.855 32.451 31.823 -0.379 0.000 0.954 386 V HN 0.861 nan 8.190 nan 0.000 0.490 387 F N 2.375 122.387 119.950 0.104 0.000 2.262 387 F HA 0.618 5.145 4.527 0.001 0.000 0.292 387 F C 1.283 177.329 175.800 0.409 0.000 1.081 387 F CA 0.575 58.788 58.000 0.356 0.000 1.355 387 F CB -0.068 39.095 39.000 0.271 0.000 1.069 387 F HN 0.907 nan 8.300 nan 0.000 0.506 388 A N -0.612 122.498 122.820 0.484 0.000 2.572 388 A HA 0.722 5.043 4.320 0.001 0.000 0.295 388 A C -1.673 176.123 177.584 0.353 0.000 1.072 388 A CA -0.522 51.710 52.037 0.325 0.000 0.691 388 A CB 1.525 20.526 19.000 0.002 0.000 1.291 388 A HN -0.177 nan 8.150 nan 0.000 0.404 389 V N 1.307 121.367 119.914 0.243 0.000 2.686 389 V HA 0.632 4.753 4.120 0.001 0.000 0.306 389 V C -0.159 175.936 176.094 0.001 0.000 1.065 389 V CA -0.607 61.740 62.300 0.077 0.000 0.894 389 V CB 1.890 33.802 31.823 0.148 0.000 1.004 389 V HN 1.006 nan 8.190 nan 0.000 0.424 390 R N 2.282 122.712 120.500 -0.116 0.000 2.514 390 R HA 0.777 5.118 4.340 0.001 0.000 0.301 390 R C -1.149 175.071 176.300 -0.134 0.000 0.962 390 R CA -0.177 55.881 56.100 -0.070 0.000 0.882 390 R CB 1.863 32.132 30.300 -0.052 0.000 1.143 390 R HN 0.742 nan 8.270 nan 0.000 0.452 391 T N 2.993 117.532 114.554 -0.026 0.000 2.881 391 T HA 0.500 4.851 4.350 0.001 0.000 0.291 391 T C 0.127 174.864 174.700 0.062 0.000 0.990 391 T CA 0.179 62.273 62.100 -0.009 0.000 0.976 391 T CB 1.587 70.464 68.868 0.014 0.000 0.970 391 T HN 0.974 nan 8.240 nan 0.000 0.438 392 G N 3.780 112.597 108.800 0.028 0.000 2.583 392 G HA2 -0.339 3.622 3.960 0.001 0.000 0.292 392 G HA3 -0.339 3.622 3.960 0.001 0.000 0.292 392 G C 0.821 175.719 174.900 -0.003 0.000 1.203 392 G CA 0.833 45.953 45.100 0.034 0.000 0.987 392 G HN 0.962 nan 8.290 nan 0.000 0.554 393 K N -0.291 120.053 120.400 -0.094 0.000 2.404 393 K HA 0.336 4.656 4.320 0.001 0.000 0.194 393 K C 0.114 176.544 176.600 -0.282 0.000 1.023 393 K CA 0.172 56.330 56.287 -0.215 0.000 1.094 393 K CB 0.212 32.506 32.500 -0.342 0.000 0.841 393 K HN 0.450 nan 8.250 nan 0.000 0.523 394 Y N 1.940 122.255 120.300 0.025 0.000 2.361 394 Y HA 0.341 4.892 4.550 0.001 0.000 0.332 394 Y C -0.293 175.616 175.900 0.015 0.000 1.101 394 Y CA -0.823 57.292 58.100 0.025 0.000 1.137 394 Y CB 1.713 40.173 38.460 0.001 0.000 1.207 394 Y HN -0.122 nan 8.280 nan 0.000 0.463 395 K N 2.104 122.624 120.400 0.200 0.000 2.426 395 K HA 0.847 5.168 4.320 0.001 0.000 0.254 395 K C -1.560 175.071 176.600 0.053 0.000 0.936 395 K CA -0.700 55.644 56.287 0.095 0.000 0.801 395 K CB 1.178 33.723 32.500 0.076 0.000 1.139 395 K HN 0.771 nan 8.250 nan 0.000 0.424 396 A N 4.183 126.959 122.820 -0.073 0.000 2.304 396 A HA 0.433 4.754 4.320 0.001 0.000 0.323 396 A C -1.190 176.185 177.584 -0.349 0.000 1.195 396 A CA -0.664 51.220 52.037 -0.255 0.000 0.826 396 A CB 0.549 19.305 19.000 -0.406 0.000 1.184 396 A HN 0.810 nan 8.150 nan 0.000 0.496 397 H N 2.862 121.733 119.070 -0.333 0.000 2.541 397 H HA 0.294 4.851 4.556 0.002 0.000 0.316 397 H C -0.379 174.717 175.328 -0.386 0.000 1.043 397 H CA -0.045 55.882 56.048 -0.202 0.000 1.232 397 H CB 1.110 30.806 29.762 -0.111 0.000 1.406 397 H HN 0.729 nan 8.280 nan 0.000 0.469 398 F N 1.525 121.476 119.950 0.001 0.000 2.416 398 F HA 0.099 4.626 4.527 0.001 0.000 0.296 398 F C 0.241 175.649 175.800 -0.654 0.000 1.099 398 F CA 0.541 58.382 58.000 -0.266 0.000 1.427 398 F CB 0.348 39.208 39.000 -0.233 0.000 1.079 398 F HN 0.285 nan 8.300 nan 0.000 0.536 399 F N -1.594 118.322 119.950 -0.056 0.000 2.588 399 F HA 0.535 5.062 4.527 0.000 0.000 0.310 399 F C -0.000 175.671 175.800 -0.215 0.000 1.082 399 F CA -0.989 56.764 58.000 -0.411 0.000 0.929 399 F CB 1.913 40.050 39.000 -1.438 0.000 1.254 399 F HN -0.549 nan 8.300 nan 0.000 0.455 400 T N 1.726 116.358 114.554 0.129 0.000 2.903 400 T HA 0.586 4.937 4.350 0.001 0.000 0.299 400 T C -1.750 173.085 174.700 0.226 0.000 1.093 400 T CA -0.621 61.579 62.100 0.167 0.000 1.002 400 T CB 2.098 71.108 68.868 0.237 0.000 1.127 400 T HN 0.649 nan 8.240 nan 0.000 0.488 401 Q N 0.783 120.729 119.800 0.243 0.000 2.468 401 Q HA 0.542 4.882 4.340 0.001 0.000 0.263 401 Q C -0.744 175.417 176.000 0.268 0.000 0.979 401 Q CA -0.725 55.240 55.803 0.269 0.000 0.932 401 Q CB 1.540 30.503 28.738 0.375 0.000 1.462 401 Q HN 0.880 nan 8.270 nan 0.000 0.403 402 G N 0.687 109.625 108.800 0.230 0.000 2.537 402 G HA2 0.625 4.586 3.960 0.001 0.000 0.297 402 G HA3 0.625 4.586 3.960 0.001 0.000 0.297 402 G C -0.917 174.100 174.900 0.195 0.000 1.310 402 G CA -0.112 45.121 45.100 0.223 0.000 1.027 402 G HN 0.403 nan 8.290 nan 0.000 0.505 403 S N -2.557 113.250 115.700 0.179 0.000 2.550 403 S HA 0.518 4.988 4.470 0.001 0.000 0.270 403 S C 0.921 175.572 174.600 0.085 0.000 1.145 403 S CA 0.409 58.702 58.200 0.156 0.000 0.852 403 S CB 1.387 64.730 63.200 0.239 0.000 1.119 403 S HN 1.329 nan 8.310 nan 0.000 0.465 404 A N 2.402 125.209 122.820 -0.023 0.000 2.015 404 A HA -0.031 4.289 4.320 0.001 0.000 0.219 404 A C 1.551 179.026 177.584 -0.182 0.000 1.163 404 A CA 1.311 53.273 52.037 -0.126 0.000 0.646 404 A CB -0.916 17.965 19.000 -0.199 0.000 0.806 404 A HN 0.920 nan 8.150 nan 0.000 0.448 405 H N -0.442 118.655 119.070 0.045 0.000 2.491 405 H HA 0.024 4.581 4.556 0.001 0.000 0.290 405 H C 1.241 176.587 175.328 0.030 0.000 1.050 405 H CA 1.384 57.450 56.048 0.030 0.000 1.309 405 H CB 0.055 29.848 29.762 0.053 0.000 1.392 405 H HN 0.438 nan 8.280 nan 0.000 0.554 406 S N 0.567 116.360 115.700 0.154 0.000 2.572 406 S HA 0.035 4.506 4.470 0.001 0.000 0.228 406 S C 0.431 175.090 174.600 0.098 0.000 0.963 406 S CA -0.332 57.941 58.200 0.122 0.000 0.939 406 S CB 0.398 63.687 63.200 0.148 0.000 0.804 406 S HN 0.284 nan 8.310 nan 0.000 0.480 407 D N 1.855 122.278 120.400 0.039 0.000 2.372 407 D HA 0.120 4.760 4.640 0.001 0.000 0.243 407 D C 1.344 177.592 176.300 -0.086 0.000 1.297 407 D CA 1.598 55.572 54.000 -0.043 0.000 0.958 407 D CB 0.423 41.147 40.800 -0.127 0.000 1.114 407 D HN 0.345 nan 8.370 nan 0.000 0.496 408 T N -4.763 109.651 114.554 -0.232 0.000 5.979 408 T HA -0.193 4.157 4.350 0.001 0.000 0.273 408 T C 0.489 175.151 174.700 -0.063 0.000 2.195 408 T CA 1.676 63.676 62.100 -0.167 0.000 3.693 408 T CB -2.536 66.271 68.868 -0.100 0.000 0.944 408 T HN 0.576 nan 8.240 nan 0.000 1.117 409 T N -1.443 113.134 114.554 0.040 0.000 2.880 409 T HA 0.869 5.219 4.350 0.001 0.000 0.279 409 T C 1.623 176.434 174.700 0.184 0.000 0.990 409 T CA -0.170 61.979 62.100 0.082 0.000 0.938 409 T CB 1.366 70.269 68.868 0.060 0.000 1.206 409 T HN 0.988 nan 8.240 nan 0.000 0.573 410 A N -0.489 122.382 122.820 0.085 0.000 2.123 410 A HA 0.183 4.503 4.320 0.001 0.000 0.214 410 A C 0.977 178.567 177.584 0.011 0.000 1.152 410 A CA 0.298 52.375 52.037 0.067 0.000 0.728 410 A CB -0.621 18.387 19.000 0.013 0.000 0.814 410 A HN 0.818 nan 8.150 nan 0.000 0.464 411 D N 0.337 120.707 120.400 -0.050 0.000 2.325 411 D HA 0.184 4.825 4.640 0.001 0.000 0.251 411 D C -1.551 174.504 176.300 -0.408 0.000 1.196 411 D CA -2.068 51.821 54.000 -0.185 0.000 0.866 411 D CB 1.377 42.061 40.800 -0.194 0.000 1.101 411 D HN 0.120 nan 8.370 nan 0.000 0.476 412 P HA -0.012 nan 4.420 nan 0.000 0.231 412 P C 0.871 177.869 177.300 -0.503 0.000 1.168 412 P CA 0.270 62.935 63.100 -0.724 0.000 0.779 412 P CB 0.325 31.839 31.700 -0.309 0.000 0.844 413 A N -0.155 122.474 122.820 -0.320 0.000 2.121 413 A HA -0.102 4.219 4.320 0.001 0.000 0.218 413 A C 2.192 179.697 177.584 -0.132 0.000 1.154 413 A CA 1.160 53.087 52.037 -0.185 0.000 0.679 413 A CB -1.611 17.237 19.000 -0.252 0.000 0.795 413 A HN 0.281 nan 8.150 nan 0.000 0.458 414 c N -0.510 117.965 118.600 -0.209 0.000 2.539 414 c HA 0.122 4.693 4.570 0.001 0.000 0.268 414 c C 1.066 175.249 174.090 0.154 0.000 1.395 414 c CA -0.679 55.654 56.329 0.008 0.000 1.757 414 c CB -1.983 40.542 42.510 0.025 0.000 1.851 414 c HN 0.606 nan 8.230 nan 0.000 0.545 415 H N -0.047 119.041 119.070 0.030 0.000 2.615 415 H HA 0.330 4.886 4.556 -0.000 0.000 0.363 415 H C 1.417 176.771 175.328 0.043 0.000 1.148 415 H CA -0.100 55.964 56.048 0.025 0.000 1.401 415 H CB 0.804 30.570 29.762 0.006 0.000 1.461 415 H HN 0.190 nan 8.280 nan 0.000 0.588 416 A N 1.694 124.611 122.820 0.162 0.000 1.978 416 A HA -0.225 4.095 4.320 0.001 0.000 0.220 416 A C 2.264 179.899 177.584 0.085 0.000 1.170 416 A CA 1.832 53.922 52.037 0.088 0.000 0.636 416 A CB -0.834 18.181 19.000 0.026 0.000 0.810 416 A HN 0.769 nan 8.150 nan 0.000 0.448 417 S N -0.560 115.202 115.700 0.105 0.000 2.555 417 S HA 0.068 4.538 4.470 0.001 0.000 0.230 417 S C 0.666 175.314 174.600 0.080 0.000 0.978 417 S CA 0.534 58.783 58.200 0.082 0.000 0.934 417 S CB -0.379 62.871 63.200 0.083 0.000 0.766 417 S HN 0.271 nan 8.310 nan 0.000 0.533 418 S N 3.430 119.184 115.700 0.091 0.000 2.411 418 S HA 0.420 4.890 4.470 0.001 0.000 0.304 418 S C 0.461 175.120 174.600 0.099 0.000 1.098 418 S CA -0.696 57.551 58.200 0.079 0.000 1.068 418 S CB 0.531 63.777 63.200 0.077 0.000 1.032 418 S HN 0.662 nan 8.310 nan 0.000 0.511 419 S N 2.972 118.722 115.700 0.082 0.000 2.655 419 S HA 0.447 4.918 4.470 0.001 0.000 0.265 419 S C 0.154 174.818 174.600 0.107 0.000 1.240 419 S CA -0.986 57.265 58.200 0.085 0.000 0.986 419 S CB 0.188 63.422 63.200 0.056 0.000 0.985 419 S HN 0.464 nan 8.310 nan 0.000 0.562 420 L N 2.155 123.450 121.223 0.119 0.000 2.737 420 L HA 0.186 4.527 4.340 0.001 0.000 0.275 420 L C -0.298 176.630 176.870 0.097 0.000 1.179 420 L CA 1.307 56.233 54.840 0.144 0.000 0.970 420 L CB -1.154 40.992 42.059 0.144 0.000 1.268 420 L HN 0.846 nan 8.230 nan 0.000 0.485 421 T N 5.455 120.053 114.554 0.074 0.000 2.879 421 T HA 0.720 5.070 4.350 0.001 0.000 0.290 421 T C -0.068 174.505 174.700 -0.211 0.000 0.993 421 T CA -0.199 61.863 62.100 -0.063 0.000 0.975 421 T CB 1.384 70.194 68.868 -0.096 0.000 0.981 421 T HN 0.861 nan 8.240 nan 0.000 0.439 422 A N 2.800 125.482 122.820 -0.230 0.000 2.407 422 A HA 0.563 4.884 4.320 0.001 0.000 0.248 422 A C -0.559 176.570 177.584 -0.758 0.000 1.082 422 A CA -0.159 51.624 52.037 -0.423 0.000 0.785 422 A CB -0.072 18.797 19.000 -0.219 0.000 1.020 422 A HN 0.963 nan 8.150 nan 0.000 0.489 423 H N 0.211 119.067 119.070 -0.356 0.000 2.823 423 H HA 0.554 5.111 4.556 0.001 0.000 0.332 423 H C -1.123 174.071 175.328 -0.224 0.000 0.980 423 H CA -0.164 55.743 56.048 -0.236 0.000 1.286 423 H CB 1.497 31.127 29.762 -0.219 0.000 1.541 423 H HN 0.678 nan 8.280 nan 0.000 0.521 424 E N 3.950 124.104 120.200 -0.076 0.000 2.343 424 E HA 0.286 4.636 4.350 0.001 0.000 0.260 424 E C -2.375 174.202 176.600 -0.039 0.000 0.908 424 E CA -1.838 54.529 56.400 -0.054 0.000 0.814 424 E CB 0.940 30.606 29.700 -0.056 0.000 1.302 424 E HN 0.417 nan 8.360 nan 0.000 0.408 425 P HA 0.214 nan 4.420 nan 0.000 0.268 425 P C -2.531 174.706 177.300 -0.104 0.000 1.208 425 P CA -1.072 61.992 63.100 -0.059 0.000 0.777 425 P CB -0.124 31.534 31.700 -0.071 0.000 0.875 426 P HA 0.066 nan 4.420 nan 0.000 0.271 426 P C -0.110 177.011 177.300 -0.298 0.000 1.233 426 P CA -0.073 62.816 63.100 -0.352 0.000 0.789 426 P CB 0.647 31.844 31.700 -0.838 0.000 0.951 427 L N 1.020 122.040 121.223 -0.338 0.000 2.410 427 L HA 0.214 4.555 4.340 0.001 0.000 0.273 427 L C 0.556 177.153 176.870 -0.456 0.000 1.152 427 L CA -0.273 54.315 54.840 -0.420 0.000 0.855 427 L CB -0.064 41.727 42.059 -0.447 0.000 1.129 427 L HN 0.276 nan 8.230 nan 0.000 0.463 428 L N 4.873 125.736 121.223 -0.601 0.000 2.406 428 L HA 0.516 4.856 4.340 0.001 0.000 0.272 428 L C -1.317 175.235 176.870 -0.529 0.000 0.980 428 L CA -0.071 54.514 54.840 -0.424 0.000 0.831 428 L CB 1.353 43.264 42.059 -0.247 0.000 1.253 428 L HN 0.234 nan 8.230 nan 0.000 0.406 429 Y N 2.041 122.413 120.300 0.119 0.000 2.499 429 Y HA 0.475 5.025 4.550 0.000 0.000 0.347 429 Y C -0.366 175.617 175.900 0.138 0.000 0.987 429 Y CA -1.007 57.167 58.100 0.122 0.000 1.044 429 Y CB 1.724 40.241 38.460 0.094 0.000 1.245 429 Y HN 0.507 nan 8.280 nan 0.000 0.461 430 D N 2.642 123.192 120.400 0.250 0.000 2.443 430 D HA 0.211 4.852 4.640 0.001 0.000 0.221 430 D C 0.373 176.689 176.300 0.027 0.000 1.097 430 D CA 0.052 54.057 54.000 0.008 0.000 0.865 430 D CB 0.831 41.622 40.800 -0.015 0.000 1.034 430 D HN 0.664 nan 8.370 nan 0.000 0.511 431 L N 2.603 123.821 121.223 -0.009 0.000 2.291 431 L HA -0.113 4.227 4.340 0.001 0.000 0.214 431 L C 2.349 179.204 176.870 -0.026 0.000 1.120 431 L CA 0.735 55.580 54.840 0.008 0.000 0.799 431 L CB -0.279 41.800 42.059 0.034 0.000 0.925 431 L HN 0.371 nan 8.230 nan 0.000 0.446 432 S N -0.136 115.522 115.700 -0.071 0.000 2.406 432 S HA -0.127 4.344 4.470 0.001 0.000 0.228 432 S C 1.799 176.371 174.600 -0.047 0.000 1.020 432 S CA 0.624 58.778 58.200 -0.077 0.000 0.965 432 S CB -0.043 63.092 63.200 -0.108 0.000 0.798 432 S HN 0.451 nan 8.310 nan 0.000 0.488 433 K N 0.213 120.600 120.400 -0.022 0.000 2.348 433 K HA 0.205 4.525 4.320 0.001 0.000 0.194 433 K C 0.032 176.664 176.600 0.053 0.000 1.052 433 K CA 0.681 56.976 56.287 0.013 0.000 1.004 433 K CB 0.192 32.710 32.500 0.030 0.000 0.873 433 K HN 0.298 nan 8.250 nan 0.000 0.523 434 D N 0.888 121.324 120.400 0.061 0.000 2.879 434 D HA 0.118 4.758 4.640 0.001 0.000 0.351 434 D C -1.954 174.343 176.300 -0.006 0.000 1.239 434 D CA -2.126 51.921 54.000 0.078 0.000 0.771 434 D CB 0.838 41.752 40.800 0.191 0.000 1.176 434 D HN -0.158 nan 8.370 nan 0.000 0.496 435 P HA -0.060 nan 4.420 nan 0.000 0.219 435 P C 1.486 178.713 177.300 -0.121 0.000 1.146 435 P CA 0.798 63.861 63.100 -0.061 0.000 0.808 435 P CB 0.139 31.808 31.700 -0.052 0.000 0.779 436 G N -0.174 108.544 108.800 -0.136 0.000 2.625 436 G HA2 -0.163 3.797 3.960 0.001 0.000 0.214 436 G HA3 -0.163 3.797 3.960 0.001 0.000 0.214 436 G C 0.440 175.138 174.900 -0.336 0.000 1.132 436 G CA 0.048 45.028 45.100 -0.199 0.000 0.782 436 G HN 0.299 nan 8.290 nan 0.000 0.538 437 E N -0.862 119.071 120.200 -0.445 0.000 2.416 437 E HA -0.177 4.173 4.350 0.001 0.000 0.249 437 E C 0.709 176.821 176.600 -0.814 0.000 1.124 437 E CA 0.275 56.108 56.400 -0.946 0.000 0.732 437 E CB -0.979 28.249 29.700 -0.788 0.000 1.286 437 E HN 0.446 nan 8.360 nan 0.000 0.394 438 N N -0.605 117.737 118.700 -0.596 0.000 2.387 438 N HA -0.024 4.717 4.740 0.001 0.000 0.176 438 N C -0.093 175.099 175.510 -0.530 0.000 1.022 438 N CA 0.983 53.596 53.050 -0.728 0.000 0.883 438 N CB 0.317 37.947 38.487 -1.430 0.000 1.019 438 N HN 0.161 nan 8.380 nan 0.000 0.435 439 Y N 1.572 122.019 120.300 0.245 0.000 2.721 439 Y HA 0.264 4.814 4.550 0.000 0.000 0.328 439 Y C 0.290 176.294 175.900 0.172 0.000 1.003 439 Y CA -1.465 56.746 58.100 0.184 0.000 1.275 439 Y CB -0.282 38.242 38.460 0.106 0.000 1.097 439 Y HN -0.047 nan 8.280 nan 0.000 0.514 440 N N 3.668 122.457 118.700 0.148 0.000 2.411 440 N HA -0.002 4.738 4.740 0.001 0.000 0.265 440 N C 0.612 176.067 175.510 -0.091 0.000 1.266 440 N CA -0.029 52.907 53.050 -0.190 0.000 0.889 440 N CB 0.738 39.105 38.487 -0.200 0.000 1.069 440 N HN 0.752 nan 8.380 nan 0.000 0.476 441 L N 3.272 124.422 121.223 -0.121 0.000 2.478 441 L HA -0.043 4.298 4.340 0.001 0.000 0.223 441 L C 1.004 177.834 176.870 -0.066 0.000 1.140 441 L CA 0.237 55.055 54.840 -0.037 0.000 0.842 441 L CB 0.009 42.069 42.059 0.002 0.000 0.953 441 L HN 0.633 nan 8.230 nan 0.000 0.452 442 L N -0.066 121.092 121.223 -0.109 0.000 2.791 442 L HA 0.321 4.662 4.340 0.001 0.000 0.239 442 L C 1.232 178.061 176.870 -0.068 0.000 1.203 442 L CA -0.023 54.763 54.840 -0.089 0.000 1.002 442 L CB -0.527 41.460 42.059 -0.120 0.000 1.295 442 L HN -0.029 nan 8.230 nan 0.000 0.504 449 T N 2.953 117.489 114.554 -0.029 0.000 2.926 449 T HA 0.373 4.724 4.350 0.001 0.000 0.307 449 T C -1.696 172.984 174.700 -0.033 0.000 1.059 449 T CA -0.011 62.076 62.100 -0.021 0.000 1.122 449 T CB 1.159 70.023 68.868 -0.008 0.000 0.972 449 T HN 0.226 nan 8.240 nan 0.000 0.545 450 P HA -0.043 nan 4.420 nan 0.000 0.218 450 P C 1.379 178.656 177.300 -0.038 0.000 1.149 450 P CA 0.673 63.757 63.100 -0.028 0.000 0.817 450 P CB 0.229 31.920 31.700 -0.014 0.000 0.785 451 E N -0.255 119.930 120.200 -0.025 0.000 2.072 451 E HA -0.090 4.260 4.350 0.001 0.000 0.190 451 E C 1.896 178.410 176.600 -0.143 0.000 0.982 451 E CA 0.945 57.331 56.400 -0.023 0.000 0.803 451 E CB -0.222 29.513 29.700 0.058 0.000 0.755 451 E HN -0.005 nan 8.360 nan 0.000 0.453 452 V N 1.583 121.407 119.914 -0.149 0.000 2.307 452 V HA -0.257 3.863 4.120 0.001 0.000 0.245 452 V C 2.554 178.497 176.094 -0.250 0.000 1.045 452 V CA 1.534 63.667 62.300 -0.278 0.000 1.024 452 V CB -0.489 31.243 31.823 -0.152 0.000 0.651 452 V HN 0.275 nan 8.190 nan 0.000 0.449 453 L N 0.750 121.886 121.223 -0.144 0.000 2.131 453 L HA -0.164 4.177 4.340 0.001 0.000 0.210 453 L C 2.547 179.352 176.870 -0.108 0.000 1.092 453 L CA 2.738 57.512 54.840 -0.110 0.000 0.759 453 L CB -0.923 41.093 42.059 -0.071 0.000 0.903 453 L HN 0.433 nan 8.230 nan 0.000 0.435 454 Q N -0.574 119.162 119.800 -0.108 0.000 2.123 454 Q HA 0.069 4.409 4.340 0.001 0.000 0.199 454 Q C 2.341 178.270 176.000 -0.118 0.000 0.966 454 Q CA 1.556 57.309 55.803 -0.083 0.000 0.845 454 Q CB -1.237 27.469 28.738 -0.054 0.000 0.907 454 Q HN 0.731 nan 8.270 nan 0.000 0.439 455 A N 0.280 122.958 122.820 -0.237 0.000 1.969 455 A HA 0.133 4.454 4.320 0.001 0.000 0.218 455 A C 2.314 179.781 177.584 -0.196 0.000 1.169 455 A CA 1.571 53.433 52.037 -0.292 0.000 0.635 455 A CB -0.360 18.119 19.000 -0.868 0.000 0.810 455 A HN 0.770 nan 8.150 nan 0.000 0.445 456 L N -0.236 120.872 121.223 -0.192 0.000 2.056 456 L HA -0.093 4.247 4.340 0.001 0.000 0.207 456 L C 2.065 178.916 176.870 -0.032 0.000 1.078 456 L CA 2.328 57.101 54.840 -0.111 0.000 0.749 456 L CB -0.459 41.529 42.059 -0.119 0.000 0.901 456 L HN 0.294 nan 8.230 nan 0.000 0.433 457 K N -0.554 119.826 120.400 -0.033 0.000 2.097 457 K HA -0.134 4.186 4.320 0.001 0.000 0.205 457 K C 2.368 178.980 176.600 0.020 0.000 1.050 457 K CA 1.615 57.902 56.287 -0.000 0.000 0.938 457 K CB -0.449 32.044 32.500 -0.010 0.000 0.718 457 K HN 0.595 nan 8.250 nan 0.000 0.442 458 Q N 1.370 121.177 119.800 0.011 0.000 2.046 458 Q HA -0.073 4.268 4.340 0.001 0.000 0.200 458 Q C 2.119 178.161 176.000 0.069 0.000 0.975 458 Q CA 1.595 57.419 55.803 0.034 0.000 0.836 458 Q CB -1.084 27.666 28.738 0.019 0.000 0.896 458 Q HN 0.317 nan 8.270 nan 0.000 0.428 459 L N 0.183 121.453 121.223 0.079 0.000 2.042 459 L HA -0.302 4.038 4.340 0.001 0.000 0.210 459 L C 3.008 180.032 176.870 0.256 0.000 1.076 459 L CA 1.968 56.907 54.840 0.164 0.000 0.749 459 L CB -0.422 41.723 42.059 0.144 0.000 0.893 459 L HN 0.536 nan 8.230 nan 0.000 0.432 460 Q N -0.643 119.285 119.800 0.213 0.000 2.079 460 Q HA -0.210 4.130 4.340 0.001 0.000 0.200 460 Q C 2.262 178.299 176.000 0.061 0.000 0.974 460 Q CA 1.173 57.084 55.803 0.180 0.000 0.840 460 Q CB -0.228 28.599 28.738 0.147 0.000 0.898 460 Q HN 0.331 nan 8.270 nan 0.000 0.430 461 L N 0.779 122.040 121.223 0.062 0.000 2.046 461 L HA -0.148 4.192 4.340 0.001 0.000 0.208 461 L C 1.943 178.844 176.870 0.053 0.000 1.077 461 L CA 1.566 56.430 54.840 0.039 0.000 0.747 461 L CB -0.427 41.654 42.059 0.038 0.000 0.896 461 L HN 0.184 nan 8.230 nan 0.000 0.432 462 L N -0.418 120.868 121.223 0.105 0.000 2.131 462 L HA -0.245 4.095 4.340 0.001 0.000 0.210 462 L C 2.604 179.570 176.870 0.160 0.000 1.092 462 L CA 1.779 56.728 54.840 0.180 0.000 0.759 462 L CB -0.639 41.591 42.059 0.285 0.000 0.903 462 L HN 0.364 nan 8.230 nan 0.000 0.435 463 K N 0.654 121.094 120.400 0.067 0.000 2.025 463 K HA -0.147 4.173 4.320 0.001 0.000 0.207 463 K C 2.151 178.679 176.600 -0.121 0.000 1.049 463 K CA 1.361 57.594 56.287 -0.091 0.000 0.933 463 K CB -0.159 32.051 32.500 -0.483 0.000 0.714 463 K HN 0.189 nan 8.250 nan 0.000 0.438 464 A N 0.936 123.694 122.820 -0.103 0.000 1.969 464 A HA -0.173 4.147 4.320 0.001 0.000 0.218 464 A C 2.038 179.586 177.584 -0.059 0.000 1.169 464 A CA 1.443 53.432 52.037 -0.080 0.000 0.635 464 A CB -0.475 18.490 19.000 -0.057 0.000 0.810 464 A HN 0.522 nan 8.150 nan 0.000 0.445 465 Q N -1.121 118.654 119.800 -0.043 0.000 2.016 465 Q HA -0.138 4.203 4.340 0.001 0.000 0.200 465 Q C 2.126 178.072 176.000 -0.089 0.000 0.978 465 Q CA 1.503 57.279 55.803 -0.045 0.000 0.833 465 Q CB -0.318 28.409 28.738 -0.017 0.000 0.895 465 Q HN 0.597 nan 8.270 nan 0.000 0.427 466 L N 1.227 122.356 121.223 -0.156 0.000 2.017 466 L HA -0.215 4.125 4.340 0.001 0.000 0.208 466 L C 1.534 178.330 176.870 -0.123 0.000 1.073 466 L CA 1.903 56.593 54.840 -0.250 0.000 0.745 466 L CB -0.381 41.330 42.059 -0.579 0.000 0.894 466 L HN 0.136 nan 8.230 nan 0.000 0.432 467 D N -0.188 120.161 120.400 -0.085 0.000 2.144 467 D HA -0.153 4.487 4.640 0.001 0.000 0.199 467 D C 2.168 178.449 176.300 -0.033 0.000 0.984 467 D CA 1.481 55.466 54.000 -0.025 0.000 0.834 467 D CB -0.164 40.614 40.800 -0.036 0.000 0.955 467 D HN 0.521 nan 8.370 nan 0.000 0.465 468 A N 0.617 123.409 122.820 -0.047 0.000 1.969 468 A HA 0.069 4.390 4.320 0.001 0.000 0.218 468 A C 2.200 179.762 177.584 -0.036 0.000 1.169 468 A CA 1.844 53.857 52.037 -0.041 0.000 0.635 468 A CB -0.262 18.716 19.000 -0.038 0.000 0.810 468 A HN 0.239 nan 8.150 nan 0.000 0.445 469 A N -0.897 121.897 122.820 -0.043 0.000 1.997 469 A HA 0.409 4.730 4.320 0.001 0.000 0.212 469 A C 0.886 178.453 177.584 -0.029 0.000 1.178 469 A CA 0.313 52.326 52.037 -0.040 0.000 0.698 469 A CB -0.253 18.713 19.000 -0.057 0.000 0.842 469 A HN 0.233 nan 8.150 nan 0.000 0.458 470 V N 2.599 122.504 119.914 -0.014 0.000 2.508 470 V HA 0.299 4.419 4.120 0.001 0.000 0.281 470 V C 0.366 176.503 176.094 0.072 0.000 1.041 470 V CA 0.341 62.654 62.300 0.022 0.000 1.016 470 V CB 0.747 32.607 31.823 0.063 0.000 0.984 470 V HN 0.535 nan 8.190 nan 0.000 0.478 471 T N 3.236 117.830 114.554 0.066 0.000 2.824 471 T HA 0.603 4.954 4.350 0.001 0.000 0.280 471 T C -0.530 174.289 174.700 0.198 0.000 0.995 471 T CA -0.606 61.552 62.100 0.097 0.000 1.009 471 T CB 0.922 69.814 68.868 0.041 0.000 0.955 471 T HN 0.149 nan 8.240 nan 0.000 0.452 472 F N 2.215 122.117 119.950 -0.081 0.000 2.495 472 F HA 0.483 5.010 4.527 0.001 0.000 0.365 472 F C 1.481 177.285 175.800 0.007 0.000 1.090 472 F CA -0.590 57.361 58.000 -0.082 0.000 1.235 472 F CB 0.194 39.115 39.000 -0.132 0.000 1.119 472 F HN 0.898 nan 8.300 nan 0.000 0.562 473 G N 4.506 113.384 108.800 0.131 0.000 2.544 473 G HA2 0.354 4.315 3.960 0.001 0.000 0.242 473 G HA3 0.354 4.315 3.960 0.001 0.000 0.242 473 G C -2.589 172.396 174.900 0.142 0.000 1.247 473 G CA -1.158 43.994 45.100 0.086 0.000 0.840 473 G HN 0.388 nan 8.290 nan 0.000 0.578 474 P HA 0.084 nan 4.420 nan 0.000 0.268 474 P C 0.199 177.420 177.300 -0.132 0.000 1.204 474 P CA -0.124 62.988 63.100 0.020 0.000 0.768 474 P CB 1.152 32.852 31.700 -0.000 0.000 0.842 475 S N 2.440 117.988 115.700 -0.253 0.000 2.525 475 S HA -0.028 4.443 4.470 0.001 0.000 0.285 475 S C 1.380 175.770 174.600 -0.350 0.000 1.283 475 S CA -0.238 57.612 58.200 -0.583 0.000 1.072 475 S CB -0.089 62.785 63.200 -0.544 0.000 0.867 475 S HN 0.287 nan 8.310 nan 0.000 0.492 476 Q N 3.744 123.325 119.800 -0.365 0.000 2.083 476 Q HA -0.028 4.312 4.340 0.001 0.000 0.198 476 Q C 2.231 178.096 176.000 -0.225 0.000 0.969 476 Q CA 1.158 56.804 55.803 -0.261 0.000 0.838 476 Q CB -0.535 28.026 28.738 -0.295 0.000 0.900 476 Q HN 0.718 nan 8.270 nan 0.000 0.436 477 V N 1.016 120.764 119.914 -0.276 0.000 2.626 477 V HA -0.138 3.982 4.120 0.001 0.000 0.252 477 V C 1.976 177.988 176.094 -0.137 0.000 1.067 477 V CA 1.527 63.708 62.300 -0.198 0.000 1.081 477 V CB -0.718 30.977 31.823 -0.214 0.000 0.686 477 V HN 0.251 nan 8.190 nan 0.000 0.468 478 A N -0.445 122.283 122.820 -0.153 0.000 2.251 478 A HA 0.039 4.360 4.320 0.001 0.000 0.209 478 A C 2.039 179.591 177.584 -0.053 0.000 1.187 478 A CA 0.144 52.134 52.037 -0.078 0.000 0.823 478 A CB -0.434 18.528 19.000 -0.063 0.000 0.846 478 A HN 0.474 nan 8.150 nan 0.000 0.486 479 R N -0.207 120.257 120.500 -0.060 0.000 2.339 479 R HA 0.235 4.575 4.340 0.001 0.000 0.199 479 R C 1.204 177.501 176.300 -0.006 0.000 1.018 479 R CA 0.468 56.552 56.100 -0.026 0.000 1.036 479 R CB -0.355 29.934 30.300 -0.018 0.000 0.899 479 R HN 0.646 nan 8.270 nan 0.000 0.473 480 G N 1.094 109.888 108.800 -0.010 0.000 2.693 480 G HA2 -0.278 3.683 3.960 0.001 0.000 0.226 480 G HA3 -0.278 3.683 3.960 0.001 0.000 0.226 480 G C -0.896 174.011 174.900 0.011 0.000 1.354 480 G CA -0.603 44.498 45.100 0.002 0.000 0.873 480 G HN 0.312 nan 8.290 nan 0.000 0.562 481 E N -0.089 120.121 120.200 0.017 0.000 2.312 481 E HA 0.568 4.918 4.350 0.001 0.000 0.267 481 E C -1.433 175.182 176.600 0.027 0.000 0.894 481 E CA -0.827 55.587 56.400 0.022 0.000 0.773 481 E CB 2.516 32.225 29.700 0.015 0.000 1.241 481 E HN 0.443 nan 8.360 nan 0.000 0.432 482 D N 2.127 122.547 120.400 0.034 0.000 2.602 482 D HA 0.209 4.849 4.640 0.001 0.000 0.245 482 D C -2.162 174.160 176.300 0.037 0.000 1.325 482 D CA -2.318 51.703 54.000 0.034 0.000 0.952 482 D CB 1.892 42.716 40.800 0.040 0.000 1.317 482 D HN 0.003 nan 8.370 nan 0.000 0.577 483 P HA -0.064 nan 4.420 nan 0.000 0.221 483 P C 0.992 178.315 177.300 0.039 0.000 1.145 483 P CA 0.774 63.892 63.100 0.031 0.000 0.795 483 P CB 0.227 31.941 31.700 0.025 0.000 0.775 484 A N -1.141 121.702 122.820 0.039 0.000 2.168 484 A HA -0.070 4.250 4.320 0.001 0.000 0.215 484 A C 1.795 179.411 177.584 0.052 0.000 1.152 484 A CA 0.896 52.958 52.037 0.041 0.000 0.716 484 A CB -1.202 17.819 19.000 0.035 0.000 0.794 484 A HN 0.080 nan 8.150 nan 0.000 0.465 485 L N -0.216 121.044 121.223 0.062 0.000 2.554 485 L HA 0.090 4.430 4.340 0.001 0.000 0.226 485 L C 1.019 177.950 176.870 0.102 0.000 1.137 485 L CA 0.656 55.545 54.840 0.082 0.000 0.863 485 L CB -0.713 41.403 42.059 0.093 0.000 0.985 485 L HN 0.436 nan 8.230 nan 0.000 0.451 486 Q N 0.297 120.150 119.800 0.088 0.000 2.300 486 Q HA 0.078 4.419 4.340 0.001 0.000 0.280 486 Q C -0.080 175.985 176.000 0.107 0.000 1.033 486 Q CA 0.041 55.907 55.803 0.106 0.000 0.903 486 Q CB 0.812 29.596 28.738 0.076 0.000 1.195 486 Q HN 0.214 nan 8.270 nan 0.000 0.386 487 I N 1.868 122.516 120.570 0.130 0.000 2.683 487 I HA -0.093 4.077 4.170 0.001 0.000 0.286 487 I C 0.077 176.236 176.117 0.070 0.000 1.175 487 I CA 0.145 61.503 61.300 0.096 0.000 1.429 487 I CB 0.375 38.429 38.000 0.090 0.000 1.371 487 I HN 0.552 nan 8.210 nan 0.000 0.569 488 c N 7.178 125.808 118.600 0.050 0.000 2.346 488 c HA 0.248 4.818 4.570 0.001 0.000 0.326 488 c C 1.530 175.629 174.090 0.015 0.000 1.224 488 c CA -0.775 55.575 56.329 0.034 0.000 1.408 488 c CB 0.352 42.891 42.510 0.049 0.000 2.089 488 c HN 1.118 nan 8.230 nan 0.000 0.456 489 c N 3.049 121.627 118.600 -0.037 0.000 2.403 489 c HA -0.078 4.493 4.570 0.001 0.000 0.279 489 c C 1.194 175.304 174.090 0.033 0.000 1.269 489 c CA 1.177 57.465 56.329 -0.068 0.000 1.774 489 c CB -1.577 40.796 42.510 -0.229 0.000 1.993 489 c HN 0.877 nan 8.230 nan 0.000 0.496 490 H N 0.067 119.124 119.070 -0.021 0.000 2.418 490 H HA 0.266 4.822 4.556 0.001 0.000 0.238 490 H C -2.416 172.911 175.328 -0.001 0.000 1.403 490 H CA -1.913 54.121 56.048 -0.023 0.000 1.419 490 H CB 0.391 30.131 29.762 -0.036 0.000 1.463 490 H HN 0.329 nan 8.280 nan 0.000 0.515 491 P HA -0.067 nan 4.420 nan 0.000 0.264 491 P C 1.264 178.601 177.300 0.061 0.000 1.183 491 P CA 1.136 64.279 63.100 0.072 0.000 0.763 491 P CB 0.826 32.556 31.700 0.050 0.000 0.807 492 G N 1.424 110.255 108.800 0.052 0.000 2.212 492 G HA2 -0.343 3.618 3.960 0.001 0.000 0.266 492 G HA3 -0.343 3.618 3.960 0.001 0.000 0.266 492 G C 0.573 175.501 174.900 0.047 0.000 0.978 492 G CA 0.192 45.317 45.100 0.041 0.000 0.632 492 G HN 0.929 nan 8.290 nan 0.000 0.537 493 c N 0.373 119.015 118.600 0.069 0.000 2.883 493 c HA 0.658 5.228 4.570 0.001 0.000 0.347 493 c C 0.962 175.090 174.090 0.063 0.000 1.361 493 c CA 0.752 57.127 56.329 0.076 0.000 2.102 493 c CB 0.088 42.680 42.510 0.137 0.000 2.496 493 c HN 1.702 nan 8.230 nan 0.000 0.758 494 T N -2.551 112.040 114.554 0.063 0.000 2.889 494 T HA 0.713 5.064 4.350 0.001 0.000 0.315 494 T C -3.100 171.635 174.700 0.059 0.000 1.291 494 T CA -0.785 61.346 62.100 0.052 0.000 1.028 494 T CB 0.925 69.815 68.868 0.037 0.000 1.235 494 T HN 0.844 nan 8.240 nan 0.000 0.491 495 P HA 0.364 nan 4.420 nan 0.000 0.276 495 P C -0.556 176.773 177.300 0.048 0.000 1.235 495 P CA -0.553 62.572 63.100 0.042 0.000 0.772 495 P CB 0.668 32.386 31.700 0.031 0.000 0.871 496 R N 3.808 124.334 120.500 0.043 0.000 2.438 496 R HA 0.196 4.537 4.340 0.001 0.000 0.287 496 R C -1.189 175.130 176.300 0.032 0.000 1.077 496 R CA -1.029 55.097 56.100 0.043 0.000 1.034 496 R CB 0.431 30.755 30.300 0.040 0.000 0.993 496 R HN 0.462 nan 8.270 nan 0.000 0.459 497 P HA 0.138 nan 4.420 nan 0.000 0.260 497 P C 0.509 177.831 177.300 0.036 0.000 1.222 497 P CA 0.192 63.313 63.100 0.035 0.000 0.843 497 P CB 0.512 32.229 31.700 0.028 0.000 1.159 498 A N 0.571 123.404 122.820 0.022 0.000 2.121 498 A HA -0.149 4.172 4.320 0.001 0.000 0.218 498 A C 2.237 179.849 177.584 0.047 0.000 1.154 498 A CA 1.507 53.544 52.037 -0.001 0.000 0.679 498 A CB -1.702 17.279 19.000 -0.031 0.000 0.795 498 A HN 0.482 nan 8.150 nan 0.000 0.458 499 c N -2.393 116.272 118.600 0.108 0.000 2.448 499 c HA 0.065 4.636 4.570 0.001 0.000 0.280 499 c C 1.373 175.600 174.090 0.228 0.000 1.398 499 c CA -0.673 55.781 56.329 0.208 0.000 1.774 499 c CB -2.306 40.302 42.510 0.163 0.000 1.888 499 c HN 0.550 nan 8.230 nan 0.000 0.519 500 c N 3.253 121.927 118.600 0.123 0.000 2.551 500 c HA 0.459 5.029 4.570 0.001 0.000 0.378 500 c C 0.241 174.357 174.090 0.043 0.000 1.101 500 c CA 0.133 56.483 56.329 0.036 0.000 1.360 500 c CB -2.931 39.602 42.510 0.037 0.000 1.895 500 c HN 0.907 nan 8.230 nan 0.000 0.540 501 H N -0.981 117.911 119.070 -0.297 0.000 3.112 501 H HA 0.567 5.124 4.556 0.001 0.000 0.347 501 H C -0.800 174.308 175.328 -0.367 0.000 1.188 501 H CA -0.907 54.990 56.048 -0.252 0.000 1.240 501 H CB 0.367 30.053 29.762 -0.126 0.000 1.920 501 H HN 0.482 nan 8.280 nan 0.000 0.535 502 c N 3.430 121.843 118.600 -0.312 0.000 3.277 502 c HA 0.502 5.073 4.570 0.001 0.000 0.352 502 c C -3.102 170.927 174.090 -0.102 0.000 0.998 502 c CA -0.904 55.261 56.329 -0.275 0.000 1.303 502 c CB 0.096 42.424 42.510 -0.304 0.000 1.698 502 c HN 0.900 nan 8.230 nan 0.000 0.574 503 P HA 0.000 nan 4.420 nan 0.000 0.216 503 P CA 0.000 63.094 63.100 -0.010 0.000 0.800 503 P CB 0.000 31.720 31.700 0.033 0.000 0.726