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 1e2s_1_P DATA FIRST_RESID 19 DATA SEQUENCE RPPNIVLIFA DDLGYGDLGC YGHPSSTTPN LDQLAAGGLR FTDFYVPVSL DATA SEQUENCE ATPSRAALLT 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 0.000 176.333 176.300 0.055 0.000 0.893 19 R CA 0.000 56.125 56.100 0.042 0.000 0.921 19 R CB 0.000 30.332 30.300 0.054 0.000 0.687 20 P HA 0.220 nan 4.420 nan 0.000 0.261 20 P C -2.658 174.643 177.300 0.002 0.000 1.173 20 P CA -0.523 62.613 63.100 0.060 0.000 0.760 20 P CB 0.330 32.067 31.700 0.062 0.000 0.783 21 P HA 0.076 nan 4.420 nan 0.000 0.274 21 P C -0.177 177.022 177.300 -0.169 0.000 1.237 21 P CA -0.202 62.822 63.100 -0.127 0.000 0.793 21 P CB 0.615 32.064 31.700 -0.419 0.000 0.977 22 N N 1.246 119.751 118.700 -0.325 0.000 2.518 22 N HA 0.209 4.949 4.740 0.000 0.000 0.266 22 N C -0.018 175.235 175.510 -0.429 0.000 1.196 22 N CA 0.188 52.872 53.050 -0.610 0.000 0.947 22 N CB 0.398 38.221 38.487 -1.106 0.000 1.098 22 N HN 0.366 nan 8.380 nan 0.000 0.450 23 I N 1.023 121.434 120.570 -0.265 0.000 2.466 23 I HA 0.233 4.403 4.170 0.000 0.000 0.289 23 I C -0.387 175.830 176.117 0.167 0.000 1.026 23 I CA -0.959 60.332 61.300 -0.015 0.000 1.078 23 I CB 2.187 40.262 38.000 0.125 0.000 1.249 23 I HN 0.073 nan 8.210 nan 0.000 0.429 24 V N 8.187 128.196 119.914 0.158 0.000 2.443 24 V HA 0.487 4.607 4.120 0.000 0.000 0.293 24 V C -1.310 174.906 176.094 0.205 0.000 1.021 24 V CA -0.625 61.807 62.300 0.220 0.000 0.848 24 V CB 1.702 33.686 31.823 0.268 0.000 0.998 24 V HN 0.573 nan 8.190 nan 0.000 0.424 25 L N 8.589 129.938 121.223 0.210 0.000 2.287 25 L HA 0.606 4.947 4.340 0.000 0.000 0.280 25 L C -0.330 176.692 176.870 0.253 0.000 1.055 25 L CA 0.140 55.120 54.840 0.233 0.000 0.863 25 L CB 0.516 42.746 42.059 0.286 0.000 1.245 25 L HN 0.632 nan 8.230 nan 0.000 0.432 26 I N 4.863 125.579 120.570 0.244 0.000 2.337 26 I HA 0.179 4.349 4.170 0.000 0.000 0.291 26 I C -0.705 175.472 176.117 0.100 0.000 1.046 26 I CA -0.111 61.319 61.300 0.217 0.000 1.324 26 I CB 0.487 38.721 38.000 0.391 0.000 1.409 26 I HN 0.437 nan 8.210 nan 0.000 0.494 27 F N 6.489 126.318 119.950 -0.203 0.000 2.382 27 F HA 0.650 5.177 4.527 0.001 0.000 0.361 27 F C 0.403 176.017 175.800 -0.311 0.000 1.109 27 F CA -1.026 56.835 58.000 -0.231 0.000 1.031 27 F CB 0.951 39.943 39.000 -0.013 0.000 1.234 27 F HN 0.479 nan 8.300 nan 0.000 0.445 28 A N 3.433 125.990 122.820 -0.438 0.000 2.257 28 A HA 0.518 4.838 4.320 0.000 0.000 0.289 28 A C -0.912 176.454 177.584 -0.363 0.000 1.095 28 A CA -0.400 51.444 52.037 -0.321 0.000 0.836 28 A CB 0.416 19.316 19.000 -0.168 0.000 1.111 28 A HN 0.593 nan 8.150 nan 0.000 0.497 29 D N -0.245 120.053 120.400 -0.169 0.000 2.391 29 D HA 0.433 5.073 4.640 0.000 0.000 0.245 29 D C -1.164 175.160 176.300 0.041 0.000 1.069 29 D CA 0.181 54.143 54.000 -0.063 0.000 0.831 29 D CB 0.773 41.613 40.800 0.067 0.000 1.204 29 D HN 0.469 nan 8.370 nan 0.000 0.503 30 D N 1.606 122.018 120.400 0.020 0.000 2.699 30 D HA -0.210 4.430 4.640 0.000 0.000 0.239 30 D C -0.845 175.511 176.300 0.093 0.000 1.136 30 D CA 0.440 54.467 54.000 0.046 0.000 0.668 30 D CB -1.003 39.810 40.800 0.023 0.000 1.060 30 D HN 0.257 nan 8.370 nan 0.000 0.429 31 L N -0.169 121.083 121.223 0.049 0.000 2.341 31 L HA 0.737 5.077 4.340 0.000 0.000 0.278 31 L C 0.638 177.547 176.870 0.066 0.000 1.005 31 L CA -0.307 54.598 54.840 0.108 0.000 0.818 31 L CB 1.918 44.011 42.059 0.056 0.000 1.259 31 L HN 0.033 nan 8.230 nan 0.000 0.418 32 G N 2.051 110.908 108.800 0.094 0.000 2.488 32 G HA2 0.149 4.109 3.960 0.000 0.000 0.318 32 G HA3 0.149 4.109 3.960 0.000 0.000 0.318 32 G C -0.062 174.872 174.900 0.056 0.000 1.188 32 G CA -0.230 44.917 45.100 0.078 0.000 0.944 32 G HN 0.757 nan 8.290 nan 0.000 0.495 33 Y N 0.411 120.671 120.300 -0.067 0.000 2.315 33 Y HA -0.077 4.474 4.550 0.001 0.000 0.288 33 Y C 2.318 178.183 175.900 -0.058 0.000 1.154 33 Y CA 2.212 60.232 58.100 -0.134 0.000 1.229 33 Y CB 0.240 38.674 38.460 -0.044 0.000 0.980 33 Y HN 0.452 nan 8.280 nan 0.000 0.540 34 G N -1.432 107.479 108.800 0.184 0.000 3.337 34 G HA2 -0.007 3.954 3.960 0.000 0.000 0.246 34 G HA3 -0.007 3.954 3.960 0.000 0.000 0.246 34 G C 0.905 175.934 174.900 0.215 0.000 1.131 34 G CA 0.250 45.472 45.100 0.202 0.000 0.773 34 G HN 0.284 nan 8.290 nan 0.000 0.544 35 D N 0.558 121.027 120.400 0.115 0.000 2.194 35 D HA 0.033 4.673 4.640 0.000 0.000 0.204 35 D C 1.432 177.782 176.300 0.083 0.000 0.964 35 D CA 0.216 54.272 54.000 0.093 0.000 0.846 35 D CB 0.387 41.266 40.800 0.131 0.000 0.962 35 D HN 0.251 nan 8.370 nan 0.000 0.490 36 L N 0.400 121.676 121.223 0.089 0.000 2.464 36 L HA 0.163 4.503 4.340 0.000 0.000 0.264 36 L C 2.047 179.012 176.870 0.158 0.000 1.199 36 L CA -0.209 54.697 54.840 0.109 0.000 0.818 36 L CB 0.665 42.820 42.059 0.160 0.000 1.102 36 L HN -0.021 nan 8.230 nan 0.000 0.473 37 G N 0.430 109.290 108.800 0.100 0.000 2.422 37 G HA2 -0.232 3.728 3.960 0.000 0.000 0.218 37 G HA3 -0.232 3.728 3.960 0.000 0.000 0.218 37 G C 1.442 176.395 174.900 0.089 0.000 1.146 37 G CA 0.918 46.078 45.100 0.100 0.000 0.769 37 G HN 0.897 nan 8.290 nan 0.000 0.547 38 C N -2.073 117.275 119.300 0.081 0.000 2.522 38 C HA 0.343 4.804 4.460 0.000 0.000 0.271 38 C C 1.814 176.772 174.990 -0.054 0.000 1.425 38 C CA -0.473 58.551 59.018 0.010 0.000 1.751 38 C CB -1.467 26.268 27.740 -0.009 0.000 1.775 38 C HN 0.325 nan 8.230 nan 0.000 0.557 39 Y N 1.166 121.453 120.300 -0.021 0.000 2.507 39 Y HA 0.439 4.989 4.550 0.000 0.000 0.254 39 Y C 1.952 177.851 175.900 -0.002 0.000 1.171 39 Y CA 0.673 58.731 58.100 -0.070 0.000 1.238 39 Y CB 0.229 38.569 38.460 -0.201 0.000 1.148 39 Y HN 0.442 nan 8.280 nan 0.000 0.525 40 G N -1.032 107.848 108.800 0.133 0.000 2.184 40 G HA2 -0.253 3.707 3.960 0.000 0.000 0.206 40 G HA3 -0.253 3.707 3.960 0.000 0.000 0.206 40 G C 0.115 175.071 174.900 0.093 0.000 0.995 40 G CA -0.268 44.888 45.100 0.094 0.000 0.651 40 G HN 0.399 nan 8.290 nan 0.000 0.511 41 H N 2.459 121.574 119.070 0.075 0.000 3.001 41 H HA 0.186 4.742 4.556 0.000 0.000 0.334 41 H C -0.784 174.570 175.328 0.044 0.000 1.034 41 H CA 0.372 56.455 56.048 0.059 0.000 1.420 41 H CB 1.614 31.416 29.762 0.066 0.000 1.405 41 H HN 0.171 nan 8.280 nan 0.000 0.593 42 P HA -0.039 nan 4.420 nan 0.000 0.231 42 P C 0.786 178.156 177.300 0.118 0.000 1.168 42 P CA 0.806 63.892 63.100 -0.023 0.000 0.779 42 P CB 0.561 32.196 31.700 -0.108 0.000 0.844 43 S N -3.258 112.645 115.700 0.339 0.000 2.628 43 S HA 0.173 4.643 4.470 0.000 0.000 0.246 43 S C 0.960 175.678 174.600 0.196 0.000 1.062 43 S CA -0.231 58.108 58.200 0.233 0.000 1.028 43 S CB -0.486 62.831 63.200 0.194 0.000 0.985 43 S HN -0.119 nan 8.310 nan 0.000 0.551 44 S N 2.432 118.264 115.700 0.221 0.000 2.569 44 S HA 0.331 4.801 4.470 0.000 0.000 0.274 44 S C -0.144 174.476 174.600 0.033 0.000 1.353 44 S CA 0.245 58.449 58.200 0.007 0.000 1.023 44 S CB 0.485 63.639 63.200 -0.077 0.000 0.876 44 S HN 0.476 nan 8.310 nan 0.000 0.540 45 T N 2.280 116.830 114.554 -0.006 0.000 2.893 45 T HA 0.456 4.807 4.350 0.000 0.000 0.324 45 T C 0.085 174.757 174.700 -0.047 0.000 1.082 45 T CA -0.644 61.451 62.100 -0.009 0.000 0.983 45 T CB 0.480 69.348 68.868 -0.000 0.000 1.005 45 T HN 0.699 nan 8.240 nan 0.000 0.475 46 T N 0.245 114.772 114.554 -0.045 0.000 3.732 46 T HA 0.286 4.636 4.350 0.000 0.000 0.234 46 T C -1.996 172.660 174.700 -0.073 0.000 1.146 46 T CA -1.285 60.764 62.100 -0.085 0.000 1.454 46 T CB 0.835 69.648 68.868 -0.092 0.000 0.910 46 T HN 0.165 nan 8.240 nan 0.000 0.640 47 P HA -0.078 nan 4.420 nan 0.000 0.218 47 P C 0.980 178.243 177.300 -0.062 0.000 1.149 47 P CA 1.025 64.100 63.100 -0.040 0.000 0.817 47 P CB 0.091 31.780 31.700 -0.018 0.000 0.785 48 N N -0.070 118.578 118.700 -0.086 0.000 2.106 48 N HA -0.045 4.695 4.740 0.000 0.000 0.188 48 N C 1.953 177.371 175.510 -0.153 0.000 1.029 48 N CA 0.742 53.727 53.050 -0.108 0.000 0.848 48 N CB -0.726 37.697 38.487 -0.106 0.000 1.007 48 N HN 0.074 nan 8.380 nan 0.000 0.423 49 L N 0.788 121.894 121.223 -0.195 0.000 2.083 49 L HA -0.163 4.177 4.340 0.000 0.000 0.209 49 L C 1.464 178.251 176.870 -0.138 0.000 1.083 49 L CA 1.011 55.703 54.840 -0.248 0.000 0.752 49 L CB -0.347 41.481 42.059 -0.384 0.000 0.899 49 L HN 0.158 nan 8.230 nan 0.000 0.433 50 D N -0.384 119.962 120.400 -0.088 0.000 2.144 50 D HA -0.205 4.435 4.640 0.000 0.000 0.199 50 D C 2.276 178.556 176.300 -0.033 0.000 0.984 50 D CA 1.074 55.048 54.000 -0.042 0.000 0.834 50 D CB -0.100 40.686 40.800 -0.023 0.000 0.955 50 D HN 0.381 nan 8.370 nan 0.000 0.465 51 Q N -0.247 119.522 119.800 -0.051 0.000 2.079 51 Q HA -0.013 4.327 4.340 0.000 0.000 0.200 51 Q C 2.303 178.277 176.000 -0.044 0.000 0.974 51 Q CA 0.385 56.168 55.803 -0.032 0.000 0.840 51 Q CB 0.025 28.740 28.738 -0.039 0.000 0.898 51 Q HN 0.263 nan 8.270 nan 0.000 0.430 52 L N 0.046 121.186 121.223 -0.138 0.000 2.131 52 L HA -0.186 4.154 4.340 0.000 0.000 0.210 52 L C 2.252 179.168 176.870 0.078 0.000 1.092 52 L CA 1.232 55.959 54.840 -0.188 0.000 0.759 52 L CB -0.640 41.258 42.059 -0.268 0.000 0.903 52 L HN 0.262 nan 8.230 nan 0.000 0.435 53 A N -0.261 122.589 122.820 0.049 0.000 1.873 53 A HA -0.127 4.193 4.320 0.000 0.000 0.215 53 A C 2.449 180.090 177.584 0.094 0.000 1.186 53 A CA 1.496 53.584 52.037 0.086 0.000 0.616 53 A CB -0.563 18.454 19.000 0.028 0.000 0.823 53 A HN 0.428 nan 8.150 nan 0.000 0.442 54 A N -0.853 122.008 122.820 0.069 0.000 2.070 54 A HA 0.215 4.535 4.320 0.000 0.000 0.220 54 A C 1.828 179.483 177.584 0.117 0.000 1.159 54 A CA 1.565 53.642 52.037 0.067 0.000 0.656 54 A CB -0.704 18.324 19.000 0.046 0.000 0.800 54 A HN 0.907 nan 8.150 nan 0.000 0.453 55 G N -1.247 107.686 108.800 0.221 0.000 3.936 55 G HA2 0.500 4.460 3.960 0.000 0.000 0.296 55 G HA3 0.500 4.460 3.960 0.000 0.000 0.296 55 G C 0.267 175.337 174.900 0.283 0.000 1.121 55 G CA 0.538 45.789 45.100 0.252 0.000 0.899 55 G HN 0.803 nan 8.290 nan 0.000 0.542 56 G N -0.527 108.429 108.800 0.260 0.000 2.870 56 G HA2 0.498 4.458 3.960 0.000 0.000 0.299 56 G HA3 0.498 4.458 3.960 0.000 0.000 0.299 56 G C -1.777 173.214 174.900 0.152 0.000 1.324 56 G CA -0.803 44.455 45.100 0.264 0.000 0.808 56 G HN 0.232 nan 8.290 nan 0.000 0.535 57 L N 0.828 122.150 121.223 0.165 0.000 2.264 57 L HA 0.642 4.982 4.340 0.000 0.000 0.289 57 L C 0.495 177.445 176.870 0.134 0.000 1.044 57 L CA -0.758 54.118 54.840 0.060 0.000 0.807 57 L CB 1.030 43.098 42.059 0.016 0.000 1.192 57 L HN 0.525 nan 8.230 nan 0.000 0.425 58 R N 4.291 124.819 120.500 0.046 0.000 2.255 58 R HA 0.435 4.775 4.340 0.000 0.000 0.326 58 R C -1.300 175.070 176.300 0.118 0.000 0.986 58 R CA -0.498 55.684 56.100 0.138 0.000 0.847 58 R CB 0.492 30.789 30.300 -0.004 0.000 1.111 58 R HN 0.409 nan 8.270 nan 0.000 0.452 59 F N 2.128 122.177 119.950 0.165 0.000 2.410 59 F HA 0.176 4.703 4.527 0.000 0.000 0.348 59 F C 1.700 177.691 175.800 0.319 0.000 1.106 59 F CA -0.430 57.705 58.000 0.225 0.000 1.163 59 F CB 1.979 41.149 39.000 0.283 0.000 1.129 59 F HN 0.595 nan 8.300 nan 0.000 0.516 60 T N -3.215 111.625 114.554 0.476 0.000 3.037 60 T HA 0.116 4.466 4.350 0.000 0.000 0.251 60 T C 0.121 175.127 174.700 0.510 0.000 1.079 60 T CA 0.311 62.728 62.100 0.529 0.000 1.067 60 T CB -0.220 68.946 68.868 0.497 0.000 0.948 60 T HN 0.405 nan 8.240 nan 0.000 0.496 61 D N 0.695 121.361 120.400 0.443 0.000 2.861 61 D HA 0.386 5.027 4.640 0.000 0.000 0.357 61 D C -1.370 175.109 176.300 0.298 0.000 1.250 61 D CA -0.508 53.660 54.000 0.281 0.000 0.802 61 D CB 0.145 41.159 40.800 0.357 0.000 1.141 61 D HN 0.387 nan 8.370 nan 0.000 0.489 62 F N 1.054 121.044 119.950 0.066 0.000 2.470 62 F HA 0.663 5.190 4.527 0.000 0.000 0.329 62 F C -1.322 174.390 175.800 -0.146 0.000 1.072 62 F CA -0.630 57.408 58.000 0.064 0.000 0.989 62 F CB 0.967 39.971 39.000 0.006 0.000 1.193 62 F HN -0.093 nan 8.300 nan 0.000 0.481 63 Y N 3.065 123.009 120.300 -0.594 0.000 2.562 63 Y HA 0.559 5.109 4.550 0.000 0.000 0.345 63 Y C -0.690 175.039 175.900 -0.285 0.000 1.045 63 Y CA -1.194 56.775 58.100 -0.217 0.000 1.028 63 Y CB 1.934 40.405 38.460 0.018 0.000 1.297 63 Y HN 0.582 nan 8.280 nan 0.000 0.463 64 V N 0.105 120.148 119.914 0.214 0.000 2.732 64 V HA 0.608 4.728 4.120 0.000 0.000 0.310 64 V C -2.410 173.849 176.094 0.276 0.000 1.053 64 V CA -2.170 60.243 62.300 0.188 0.000 0.957 64 V CB 1.991 33.941 31.823 0.213 0.000 1.018 64 V HN 0.679 nan 8.190 nan 0.000 0.452 65 P HA 0.169 nan 4.420 nan 0.000 0.239 65 P C 0.076 177.538 177.300 0.271 0.000 1.188 65 P CA 0.374 63.575 63.100 0.170 0.000 0.794 65 P CB 0.655 32.382 31.700 0.044 0.000 0.937 66 V N 0.085 120.113 119.914 0.191 0.000 2.733 66 V HA 0.236 4.357 4.120 0.000 0.000 0.306 66 V C 0.359 176.514 176.094 0.101 0.000 1.084 66 V CA -0.489 61.893 62.300 0.136 0.000 0.905 66 V CB 1.913 33.766 31.823 0.049 0.000 1.010 66 V HN -0.091 nan 8.190 nan 0.000 0.424 67 S N 6.105 121.858 115.700 0.088 0.000 3.149 67 S HA 0.562 5.032 4.470 0.000 0.000 0.228 67 S C -0.449 174.154 174.600 0.005 0.000 1.393 67 S CA -0.174 58.062 58.200 0.060 0.000 1.224 67 S CB -0.815 62.432 63.200 0.080 0.000 1.112 67 S HN 0.526 nan 8.310 nan 0.000 0.502 68 L N 0.755 121.967 121.223 -0.018 0.000 2.465 68 L HA 0.531 4.871 4.340 0.000 0.000 0.257 68 L C 1.101 177.937 176.870 -0.057 0.000 0.988 68 L CA -0.685 54.117 54.840 -0.064 0.000 0.827 68 L CB 1.632 43.639 42.059 -0.086 0.000 1.397 68 L HN 0.317 nan 8.230 nan 0.000 0.410 69 A N 1.041 123.826 122.820 -0.057 0.000 1.851 69 A HA -0.140 4.180 4.320 0.000 0.000 0.216 69 A C 1.925 179.433 177.584 -0.127 0.000 1.195 69 A CA 2.641 54.655 52.037 -0.037 0.000 0.622 69 A CB -0.653 18.392 19.000 0.074 0.000 0.831 69 A HN 0.847 nan 8.150 nan 0.000 0.444 70 T N 0.543 114.902 114.554 -0.325 0.000 2.622 70 T HA -0.096 4.255 4.350 0.000 0.000 0.266 70 T C -0.107 174.462 174.700 -0.218 0.000 1.047 70 T CA 1.883 63.771 62.100 -0.353 0.000 1.159 70 T CB -1.201 67.385 68.868 -0.470 0.000 0.863 70 T HN 0.520 nan 8.240 nan 0.000 0.422 71 P HA -0.065 nan 4.420 nan 0.000 0.216 71 P C 1.790 179.045 177.300 -0.075 0.000 1.150 71 P CA 1.206 64.225 63.100 -0.134 0.000 0.837 71 P CB -0.062 31.566 31.700 -0.119 0.000 0.786 72 S N -0.448 115.240 115.700 -0.020 0.000 2.371 72 S HA -0.075 4.396 4.470 0.000 0.000 0.224 72 S C 2.152 176.821 174.600 0.116 0.000 1.029 72 S CA 0.766 59.012 58.200 0.077 0.000 0.978 72 S CB -0.539 62.738 63.200 0.128 0.000 0.833 72 S HN 0.013 nan 8.310 nan 0.000 0.466 73 R N 0.707 121.266 120.500 0.097 0.000 2.096 73 R HA 0.042 4.382 4.340 0.000 0.000 0.235 73 R C 2.580 178.819 176.300 -0.101 0.000 1.127 73 R CA 1.292 57.432 56.100 0.066 0.000 0.968 73 R CB -0.498 29.830 30.300 0.046 0.000 0.861 73 R HN 0.476 nan 8.270 nan 0.000 0.440 74 A N 1.068 123.802 122.820 -0.143 0.000 1.898 74 A HA -0.084 4.236 4.320 0.000 0.000 0.216 74 A C 2.345 179.850 177.584 -0.131 0.000 1.181 74 A CA 1.614 53.551 52.037 -0.167 0.000 0.620 74 A CB -0.669 18.222 19.000 -0.181 0.000 0.819 74 A HN 0.386 nan 8.150 nan 0.000 0.442 75 A N -0.521 122.240 122.820 -0.099 0.000 1.898 75 A HA -0.010 4.310 4.320 0.000 0.000 0.216 75 A C 2.156 179.684 177.584 -0.092 0.000 1.181 75 A CA 1.651 53.636 52.037 -0.086 0.000 0.620 75 A CB -0.645 18.327 19.000 -0.046 0.000 0.819 75 A HN 0.673 nan 8.150 nan 0.000 0.442 76 L N -0.278 120.888 121.223 -0.095 0.000 2.046 76 L HA -0.091 4.249 4.340 0.000 0.000 0.208 76 L C 2.173 178.925 176.870 -0.198 0.000 1.077 76 L CA 1.712 56.453 54.840 -0.165 0.000 0.747 76 L CB -0.276 41.580 42.059 -0.339 0.000 0.896 76 L HN 0.395 nan 8.230 nan 0.000 0.432 77 L N -1.241 119.864 121.223 -0.196 0.000 2.313 77 L HA -0.046 4.294 4.340 0.000 0.000 0.214 77 L C 2.007 178.793 176.870 -0.141 0.000 1.119 77 L CA 1.291 56.025 54.840 -0.176 0.000 0.809 77 L CB -0.776 41.214 42.059 -0.115 0.000 0.933 77 L HN 0.512 nan 8.230 nan 0.000 0.449 78 T N -5.253 109.224 114.554 -0.129 0.000 2.985 78 T HA 0.220 4.570 4.350 0.000 0.000 0.254 78 T C 1.447 176.075 174.700 -0.119 0.000 1.021 78 T CA 0.453 62.483 62.100 -0.117 0.000 0.957 78 T CB 0.738 69.542 68.868 -0.106 0.000 1.047 78 T HN 0.315 nan 8.240 nan 0.000 0.511 79 G N 1.658 110.387 108.800 -0.119 0.000 2.179 79 G HA2 -0.272 3.688 3.960 0.000 0.000 0.257 79 G HA3 -0.272 3.688 3.960 0.000 0.000 0.257 79 G C -0.004 174.824 174.900 -0.121 0.000 1.010 79 G CA 0.208 45.238 45.100 -0.115 0.000 0.736 79 G HN 0.722 nan 8.290 nan 0.000 0.513 80 R N -1.262 119.167 120.500 -0.118 0.000 2.740 80 R HA 0.671 5.011 4.340 0.000 0.000 0.282 80 R C 0.565 176.786 176.300 -0.131 0.000 0.969 80 R CA -0.978 55.047 56.100 -0.125 0.000 0.918 80 R CB 1.234 31.459 30.300 -0.124 0.000 1.175 80 R HN 0.160 nan 8.270 nan 0.000 0.464 81 L N 4.168 125.305 121.223 -0.143 0.000 2.490 81 L HA 0.103 4.443 4.340 0.000 0.000 0.274 81 L C -1.256 175.476 176.870 -0.229 0.000 1.201 81 L CA -1.183 53.556 54.840 -0.167 0.000 0.869 81 L CB 0.683 42.636 42.059 -0.178 0.000 1.123 81 L HN 0.473 nan 8.230 nan 0.000 0.484 82 P HA -0.123 nan 4.420 nan 0.000 0.225 82 P C 1.417 178.535 177.300 -0.303 0.000 1.148 82 P CA 0.715 63.675 63.100 -0.234 0.000 0.779 82 P CB -0.020 31.563 31.700 -0.195 0.000 0.780 83 V N -2.432 117.149 119.914 -0.555 0.000 2.809 83 V HA -0.051 4.069 4.120 0.000 0.000 0.256 83 V C 2.300 178.146 176.094 -0.413 0.000 1.080 83 V CA 0.941 62.800 62.300 -0.736 0.000 1.102 83 V CB -1.395 29.407 31.823 -1.702 0.000 0.705 83 V HN -0.032 nan 8.190 nan 0.000 0.475 84 R N 1.393 121.709 120.500 -0.307 0.000 2.096 84 R HA 0.057 4.398 4.340 0.000 0.000 0.235 84 R C 1.982 178.216 176.300 -0.109 0.000 1.127 84 R CA 1.953 57.950 56.100 -0.172 0.000 0.968 84 R CB -0.312 29.900 30.300 -0.147 0.000 0.861 84 R HN 0.682 nan 8.270 nan 0.000 0.440 85 M N -1.878 117.650 119.600 -0.120 0.000 2.560 85 M HA 0.344 4.825 4.480 0.000 0.000 0.297 85 M C 0.315 176.543 176.300 -0.121 0.000 1.201 85 M CA 0.566 55.805 55.300 -0.102 0.000 0.973 85 M CB 1.156 33.689 32.600 -0.112 0.000 1.401 85 M HN 0.226 nan 8.290 nan 0.000 0.497 86 G N 2.083 110.827 108.800 -0.094 0.000 2.147 86 G HA2 -0.186 3.774 3.960 0.000 0.000 0.244 86 G HA3 -0.186 3.774 3.960 0.000 0.000 0.244 86 G C 0.016 174.692 174.900 -0.373 0.000 1.005 86 G CA 0.073 45.033 45.100 -0.232 0.000 0.713 86 G HN 0.505 nan 8.290 nan 0.000 0.515 87 M N 0.479 119.955 119.600 -0.207 0.000 3.690 87 M HA 0.463 4.944 4.480 0.000 0.000 0.209 87 M C 0.122 176.318 176.300 -0.174 0.000 1.403 87 M CA -0.715 54.443 55.300 -0.237 0.000 1.621 87 M CB -1.717 30.757 32.600 -0.209 0.000 1.056 87 M HN 0.577 nan 8.290 nan 0.000 0.593 88 Y N -1.155 118.988 120.300 -0.261 0.000 2.689 88 Y HA 0.877 5.427 4.550 0.000 0.000 0.333 88 Y C -3.322 172.441 175.900 -0.227 0.000 1.208 88 Y CA -2.458 55.473 58.100 -0.282 0.000 1.055 88 Y CB 0.500 38.777 38.460 -0.305 0.000 1.304 88 Y HN 0.031 nan 8.280 nan 0.000 0.455 89 P HA 0.480 nan 4.420 nan 0.000 0.284 89 P C 0.481 177.506 177.300 -0.459 0.000 1.292 89 P CA 0.851 63.772 63.100 -0.297 0.000 0.800 89 P CB 1.139 32.541 31.700 -0.496 0.000 1.188 90 G N -0.925 107.470 108.800 -0.675 0.000 2.578 90 G HA2 -0.099 3.861 3.960 0.000 0.000 0.275 90 G HA3 -0.099 3.861 3.960 0.000 0.000 0.275 90 G C -0.251 174.523 174.900 -0.211 0.000 1.271 90 G CA 0.472 45.362 45.100 -0.351 0.000 0.941 90 G HN 0.767 nan 8.290 nan 0.000 0.564 91 V N -2.344 117.490 119.914 -0.134 0.000 3.046 91 V HA 0.837 4.958 4.120 0.000 0.000 0.316 91 V C 0.868 176.889 176.094 -0.122 0.000 1.104 91 V CA -1.229 60.946 62.300 -0.209 0.000 1.006 91 V CB 1.636 33.327 31.823 -0.219 0.000 1.058 91 V HN 0.956 nan 8.190 nan 0.000 0.440 92 L N 2.124 123.266 121.223 -0.135 0.000 2.464 92 L HA 0.626 4.966 4.340 0.000 0.000 0.264 92 L C 0.168 177.130 176.870 0.153 0.000 1.199 92 L CA -0.271 54.581 54.840 0.020 0.000 0.818 92 L CB 1.436 43.526 42.059 0.053 0.000 1.102 92 L HN 0.826 nan 8.230 nan 0.000 0.473 93 V N -0.953 118.985 119.914 0.040 0.000 3.046 93 V HA 0.446 4.566 4.120 0.000 0.000 0.316 93 V C -2.239 173.761 176.094 -0.158 0.000 1.104 93 V CA -1.630 60.627 62.300 -0.071 0.000 1.006 93 V CB 1.278 33.067 31.823 -0.057 0.000 1.058 93 V HN 0.492 nan 8.190 nan 0.000 0.440 94 P HA -0.095 nan 4.420 nan 0.000 0.217 94 P C 1.393 178.678 177.300 -0.024 0.000 1.151 94 P CA 1.891 64.791 63.100 -0.334 0.000 0.849 94 P CB 0.100 31.508 31.700 -0.486 0.000 0.787 95 S N -1.564 114.122 115.700 -0.025 0.000 2.593 95 S HA 0.084 4.554 4.470 0.000 0.000 0.217 95 S C 0.762 175.389 174.600 0.045 0.000 0.966 95 S CA 0.044 58.258 58.200 0.025 0.000 0.914 95 S CB -0.594 62.613 63.200 0.011 0.000 0.776 95 S HN 0.090 nan 8.310 nan 0.000 0.523 96 S N 1.947 117.675 115.700 0.048 0.000 2.537 96 S HA 0.136 4.606 4.470 0.000 0.000 0.286 96 S C 1.271 175.929 174.600 0.098 0.000 1.299 96 S CA -0.241 57.990 58.200 0.052 0.000 1.067 96 S CB 0.576 63.799 63.200 0.038 0.000 0.864 96 S HN 0.426 nan 8.310 nan 0.000 0.494 97 R N 2.104 122.654 120.500 0.083 0.000 2.119 97 R HA 0.030 4.371 4.340 0.000 0.000 0.222 97 R C 1.415 177.832 176.300 0.195 0.000 1.088 97 R CA 0.587 56.767 56.100 0.133 0.000 0.984 97 R CB -0.198 30.157 30.300 0.090 0.000 0.884 97 R HN 0.649 nan 8.270 nan 0.000 0.447 98 G N -0.252 108.578 108.800 0.050 0.000 2.580 98 G HA2 0.504 4.464 3.960 0.000 0.000 0.278 98 G HA3 0.504 4.464 3.960 0.000 0.000 0.278 98 G C -0.379 174.257 174.900 -0.440 0.000 1.212 98 G CA 0.064 45.098 45.100 -0.111 0.000 0.939 98 G HN 0.315 nan 8.290 nan 0.000 0.513 99 G N -1.733 106.512 108.800 -0.924 0.000 2.506 99 G HA2 0.502 4.462 3.960 0.000 0.000 0.292 99 G HA3 0.502 4.462 3.960 0.000 0.000 0.292 99 G C -1.402 173.022 174.900 -0.794 0.000 1.425 99 G CA -0.907 43.502 45.100 -1.152 0.000 0.788 99 G HN 0.964 nan 8.290 nan 0.000 0.490 100 L N 1.679 122.627 121.223 -0.457 0.000 2.615 100 L HA 0.338 4.678 4.340 0.000 0.000 0.271 100 L C -1.793 175.003 176.870 -0.125 0.000 1.183 100 L CA -0.820 53.876 54.840 -0.240 0.000 0.933 100 L CB -0.130 41.848 42.059 -0.135 0.000 1.199 100 L HN 0.206 nan 8.230 nan 0.000 0.487 101 P HA -0.099 nan 4.420 nan 0.000 0.263 101 P C 0.753 178.126 177.300 0.122 0.000 1.168 101 P CA 0.344 63.477 63.100 0.054 0.000 0.759 101 P CB 0.470 32.174 31.700 0.007 0.000 0.782 102 L N 2.134 123.472 121.223 0.192 0.000 2.275 102 L HA -0.169 4.171 4.340 0.000 0.000 0.215 102 L C 2.028 178.945 176.870 0.078 0.000 1.119 102 L CA 1.315 56.246 54.840 0.151 0.000 0.790 102 L CB -0.586 41.542 42.059 0.115 0.000 0.919 102 L HN 0.333 nan 8.230 nan 0.000 0.443 103 E N -1.782 118.449 120.200 0.052 0.000 2.482 103 E HA 0.014 4.365 4.350 0.000 0.000 0.196 103 E C 0.465 177.068 176.600 0.005 0.000 1.047 103 E CA 0.094 56.507 56.400 0.021 0.000 0.869 103 E CB -0.547 29.159 29.700 0.010 0.000 0.836 103 E HN 0.393 nan 8.360 nan 0.000 0.520 104 E N 0.744 120.948 120.200 0.006 0.000 2.354 104 E HA 0.247 4.598 4.350 0.000 0.000 0.269 104 E C -0.249 176.340 176.600 -0.018 0.000 1.036 104 E CA -0.262 56.127 56.400 -0.019 0.000 0.876 104 E CB 1.759 31.442 29.700 -0.028 0.000 1.009 104 E HN 0.087 nan 8.360 nan 0.000 0.416 105 V N 3.292 123.181 119.914 -0.043 0.000 2.432 105 V HA 0.167 4.287 4.120 0.000 0.000 0.275 105 V C 0.870 176.916 176.094 -0.080 0.000 1.043 105 V CA -0.506 61.759 62.300 -0.058 0.000 0.925 105 V CB 1.117 32.899 31.823 -0.069 0.000 0.985 105 V HN 0.776 nan 8.190 nan 0.000 0.466 106 T N 1.562 116.064 114.554 -0.088 0.000 2.862 106 T HA 0.385 4.735 4.350 0.000 0.000 0.276 106 T C 1.229 175.810 174.700 -0.198 0.000 0.974 106 T CA -0.196 61.837 62.100 -0.111 0.000 0.966 106 T CB 1.533 70.366 68.868 -0.058 0.000 1.072 106 T HN 0.292 nan 8.240 nan 0.000 0.538 107 V N 0.453 120.223 119.914 -0.240 0.000 2.515 107 V HA 0.009 4.129 4.120 0.000 0.000 0.250 107 V C 3.151 178.953 176.094 -0.488 0.000 1.058 107 V CA 1.580 63.664 62.300 -0.360 0.000 1.064 107 V CB -2.115 29.431 31.823 -0.462 0.000 0.675 107 V HN 1.026 nan 8.190 nan 0.000 0.461 108 A N 0.477 123.003 122.820 -0.489 0.000 1.877 108 A HA -0.243 4.077 4.320 0.000 0.000 0.216 108 A C 2.203 179.513 177.584 -0.457 0.000 1.186 108 A CA 2.000 53.657 52.037 -0.632 0.000 0.620 108 A CB -0.585 17.605 19.000 -1.350 0.000 0.822 108 A HN 0.585 nan 8.150 nan 0.000 0.443 109 E N -0.479 119.517 120.200 -0.340 0.000 2.070 109 E HA -0.166 4.185 4.350 0.000 0.000 0.197 109 E C 1.945 178.433 176.600 -0.187 0.000 1.004 109 E CA 1.534 57.804 56.400 -0.217 0.000 0.805 109 E CB -0.350 29.264 29.700 -0.144 0.000 0.744 109 E HN 0.345 nan 8.360 nan 0.000 0.451 110 V N 0.754 120.536 119.914 -0.220 0.000 2.392 110 V HA -0.242 3.878 4.120 0.000 0.000 0.249 110 V C 1.971 177.933 176.094 -0.219 0.000 1.059 110 V CA 1.301 63.480 62.300 -0.202 0.000 1.051 110 V CB -0.261 31.423 31.823 -0.231 0.000 0.658 110 V HN 0.242 nan 8.190 nan 0.000 0.455 111 L N -0.492 120.533 121.223 -0.329 0.000 2.307 111 L HA 0.228 4.568 4.340 0.000 0.000 0.211 111 L C 2.448 179.296 176.870 -0.037 0.000 1.099 111 L CA 1.649 56.275 54.840 -0.357 0.000 0.816 111 L CB -1.329 40.231 42.059 -0.830 0.000 0.952 111 L HN 0.256 nan 8.230 nan 0.000 0.455 112 A N -0.249 122.539 122.820 -0.053 0.000 1.873 112 A HA -0.093 4.227 4.320 0.000 0.000 0.215 112 A C 2.317 179.965 177.584 0.106 0.000 1.186 112 A CA 1.457 53.545 52.037 0.085 0.000 0.616 112 A CB -0.790 18.196 19.000 -0.023 0.000 0.823 112 A HN 0.316 nan 8.150 nan 0.000 0.442 113 A N -1.072 121.765 122.820 0.030 0.000 2.259 113 A HA -0.038 4.283 4.320 0.000 0.000 0.212 113 A C 1.933 179.546 177.584 0.047 0.000 1.178 113 A CA 1.743 53.798 52.037 0.031 0.000 0.734 113 A CB -0.388 18.609 19.000 -0.004 0.000 0.774 113 A HN 0.445 nan 8.150 nan 0.000 0.481 114 R N -1.628 118.924 120.500 0.086 0.000 2.508 114 R HA 0.329 4.670 4.340 0.000 0.000 0.300 114 R C 0.929 177.307 176.300 0.131 0.000 0.970 114 R CA 0.948 57.111 56.100 0.105 0.000 1.102 114 R CB -0.149 30.222 30.300 0.118 0.000 1.246 114 R HN 0.660 nan 8.270 nan 0.000 0.539 115 G N -0.345 108.537 108.800 0.138 0.000 2.141 115 G HA2 -0.301 3.659 3.960 0.000 0.000 0.231 115 G HA3 -0.301 3.659 3.960 0.000 0.000 0.231 115 G C -0.489 174.486 174.900 0.126 0.000 0.984 115 G CA 0.084 45.247 45.100 0.105 0.000 0.660 115 G HN 0.254 nan 8.290 nan 0.000 0.525 116 Y N -0.655 119.692 120.300 0.078 0.000 2.480 116 Y HA 0.455 5.005 4.550 0.001 0.000 0.338 116 Y C 0.849 176.886 175.900 0.229 0.000 1.220 116 Y CA -0.385 57.786 58.100 0.118 0.000 1.430 116 Y CB 0.862 39.370 38.460 0.080 0.000 1.311 116 Y HN 0.235 nan 8.280 nan 0.000 0.575 117 L N 4.680 126.107 121.223 0.339 0.000 2.315 117 L HA 0.316 4.656 4.340 0.000 0.000 0.283 117 L C 0.050 177.242 176.870 0.537 0.000 1.089 117 L CA -0.210 54.879 54.840 0.414 0.000 0.833 117 L CB -0.120 42.073 42.059 0.225 0.000 1.170 117 L HN 0.685 nan 8.230 nan 0.000 0.442 118 T N 2.055 116.969 114.554 0.600 0.000 2.794 118 T HA 0.887 5.238 4.350 0.000 0.000 0.280 118 T C 0.025 174.990 174.700 0.441 0.000 0.987 118 T CA -0.306 62.050 62.100 0.426 0.000 0.993 118 T CB 1.462 70.434 68.868 0.173 0.000 0.939 118 T HN 0.886 nan 8.240 nan 0.000 0.449 119 G N 1.994 111.060 108.800 0.444 0.000 2.619 119 G HA2 0.655 4.615 3.960 0.000 0.000 0.296 119 G HA3 0.655 4.615 3.960 0.000 0.000 0.296 119 G C -1.525 173.585 174.900 0.349 0.000 1.334 119 G CA -1.108 44.261 45.100 0.449 0.000 0.934 119 G HN 0.951 nan 8.290 nan 0.000 0.476 120 M N 1.405 121.117 119.600 0.186 0.000 2.327 120 M HA 0.734 5.215 4.480 0.000 0.000 0.298 120 M C -0.908 175.314 176.300 -0.130 0.000 1.065 120 M CA -0.700 54.511 55.300 -0.149 0.000 0.916 120 M CB 2.025 34.159 32.600 -0.777 0.000 1.630 120 M HN 0.758 nan 8.290 nan 0.000 0.442 121 A N 3.523 126.181 122.820 -0.270 0.000 2.365 121 A HA 0.987 5.308 4.320 0.000 0.000 0.318 121 A C 0.134 177.290 177.584 -0.715 0.000 1.091 121 A CA 0.209 51.845 52.037 -0.668 0.000 0.763 121 A CB 1.153 19.807 19.000 -0.577 0.000 1.248 121 A HN 1.559 nan 8.150 nan 0.000 0.442 122 G N 0.996 109.226 108.800 -0.950 0.000 2.464 122 G HA2 -0.072 3.888 3.960 0.000 0.000 0.216 122 G HA3 -0.072 3.888 3.960 0.000 0.000 0.216 122 G C 0.010 174.798 174.900 -0.188 0.000 1.186 122 G CA 0.060 44.751 45.100 -0.683 0.000 1.010 122 G HN 1.180 nan 8.290 nan 0.000 0.585 123 K N 0.712 120.963 120.400 -0.249 0.000 2.276 123 K HA 0.401 4.722 4.320 0.000 0.000 0.283 123 K C 0.988 177.703 176.600 0.192 0.000 1.044 123 K CA -0.099 56.229 56.287 0.069 0.000 0.944 123 K CB 0.493 33.011 32.500 0.030 0.000 1.012 123 K HN 0.636 nan 8.250 nan 0.000 0.472 124 W N 4.857 126.187 121.300 0.051 0.000 2.924 124 W HA -0.035 4.626 4.660 0.001 0.000 0.273 124 W C 0.023 176.649 176.519 0.177 0.000 1.046 124 W CA 0.852 58.225 57.345 0.047 0.000 1.788 124 W CB 0.056 29.478 29.460 -0.063 0.000 1.127 124 W HN 0.993 nan 8.180 nan 0.000 0.571 125 H N 0.205 119.280 119.070 0.009 0.000 2.899 125 H HA -0.206 4.350 4.556 0.000 0.000 0.282 125 H C 0.387 175.494 175.328 -0.369 0.000 1.198 125 H CA 0.677 56.681 56.048 -0.073 0.000 1.140 125 H CB -1.226 28.523 29.762 -0.022 0.000 1.317 125 H HN 0.151 nan 8.280 nan 0.000 0.375 126 L N 0.064 120.813 121.223 -0.790 0.000 2.910 126 L HA 0.392 4.732 4.340 0.000 0.000 0.252 126 L C 1.149 177.891 176.870 -0.213 0.000 1.195 126 L CA 0.510 54.888 54.840 -0.771 0.000 1.003 126 L CB 1.157 42.389 42.059 -1.378 0.000 1.328 126 L HN 0.493 nan 8.230 nan 0.000 0.540 127 G N -0.990 107.880 108.800 0.117 0.000 2.576 127 G HA2 -0.000 3.960 3.960 0.000 0.000 0.686 127 G HA3 -0.000 3.960 3.960 0.000 0.000 0.686 127 G C -0.478 174.768 174.900 0.575 0.000 1.242 127 G CA -0.494 44.764 45.100 0.265 0.000 0.819 127 G HN -0.275 nan 8.290 nan 0.000 0.655 128 V N 1.322 121.555 119.914 0.532 0.000 3.444 128 V HA 0.845 4.965 4.120 0.000 0.000 0.210 128 V C 1.921 178.269 176.094 0.424 0.000 1.217 128 V CA 1.839 64.404 62.300 0.441 0.000 1.302 128 V CB -0.126 31.908 31.823 0.351 0.000 1.341 128 V HN 2.949 nan 8.190 nan 0.000 0.522 129 G N 1.265 110.302 108.800 0.394 0.000 2.756 129 G HA2 -0.094 3.867 3.960 0.000 0.000 0.678 129 G HA3 -0.094 3.867 3.960 0.000 0.000 0.678 129 G C -3.002 171.936 174.900 0.062 0.000 1.349 129 G CA -0.584 44.661 45.100 0.241 0.000 0.847 129 G HN 0.358 nan 8.290 nan 0.000 0.548 130 P HA 0.444 nan 4.420 nan 0.000 0.264 130 P C 0.569 177.839 177.300 -0.050 0.000 1.229 130 P CA 2.063 65.148 63.100 -0.024 0.000 0.780 130 P CB 0.035 31.706 31.700 -0.048 0.000 0.808 131 E N 2.439 122.638 120.200 -0.001 0.000 2.791 131 E HA -0.170 4.181 4.350 0.000 0.000 0.271 131 E C 1.057 177.678 176.600 0.035 0.000 1.044 131 E CA 1.512 57.919 56.400 0.012 0.000 0.814 131 E CB -2.600 27.095 29.700 -0.009 0.000 1.400 131 E HN 1.033 nan 8.360 nan 0.000 0.423 132 G N -2.877 105.954 108.800 0.052 0.000 2.147 132 G HA2 0.071 4.032 3.960 0.000 0.000 0.244 132 G HA3 0.071 4.032 3.960 0.000 0.000 0.244 132 G C 1.397 176.372 174.900 0.125 0.000 1.005 132 G CA 1.426 46.592 45.100 0.109 0.000 0.713 132 G HN 2.196 nan 8.290 nan 0.000 0.515 133 A N -0.719 122.035 122.820 -0.110 0.000 1.972 133 A HA 0.309 4.629 4.320 0.000 0.000 0.219 133 A C 1.738 179.196 177.584 -0.210 0.000 1.169 133 A CA 2.029 53.855 52.037 -0.352 0.000 0.635 133 A CB -0.331 18.292 19.000 -0.627 0.000 0.810 133 A HN 0.736 nan 8.150 nan 0.000 0.446 134 F N -0.418 119.643 119.950 0.186 0.000 2.727 134 F HA 0.339 4.867 4.527 0.001 0.000 0.302 134 F C 0.725 176.689 175.800 0.272 0.000 1.097 134 F CA -0.732 57.418 58.000 0.250 0.000 1.330 134 F CB -0.564 38.594 39.000 0.262 0.000 1.084 134 F HN -0.009 nan 8.300 nan 0.000 0.578 135 L N 1.456 122.828 121.223 0.247 0.000 2.479 135 L HA 0.032 4.372 4.340 0.000 0.000 0.270 135 L C -0.793 175.729 176.870 -0.580 0.000 1.236 135 L CA -1.447 53.252 54.840 -0.235 0.000 0.823 135 L CB 0.071 42.020 42.059 -0.183 0.000 1.098 135 L HN -0.150 nan 8.230 nan 0.000 0.500 136 P HA -0.134 nan 4.420 nan 0.000 0.216 136 P C -1.438 175.618 177.300 -0.407 0.000 1.154 136 P CA 1.443 63.836 63.100 -1.179 0.000 0.865 136 P CB -0.862 29.786 31.700 -1.754 0.000 0.789 137 P HA -0.180 nan 4.420 nan 0.000 0.217 137 P C 0.997 178.155 177.300 -0.237 0.000 1.148 137 P CA 1.586 64.532 63.100 -0.256 0.000 0.834 137 P CB -0.745 30.733 31.700 -0.371 0.000 0.783 138 H N -2.000 117.049 119.070 -0.036 0.000 2.547 138 H HA 0.132 4.688 4.556 0.000 0.000 0.266 138 H C 1.081 176.425 175.328 0.027 0.000 0.988 138 H CA 0.163 56.212 56.048 0.002 0.000 1.147 138 H CB 0.056 29.821 29.762 0.005 0.000 1.365 138 H HN 0.100 nan 8.280 nan 0.000 0.589 139 Q N -0.272 119.591 119.800 0.106 0.000 2.115 139 Q HA 0.204 4.544 4.340 0.000 0.000 0.249 139 Q C 0.719 176.697 176.000 -0.037 0.000 0.830 139 Q CA 0.368 56.243 55.803 0.120 0.000 1.104 139 Q CB 1.743 30.657 28.738 0.293 0.000 1.207 139 Q HN 0.652 nan 8.270 nan 0.000 0.464 140 G N 0.591 109.331 108.800 -0.099 0.000 2.179 140 G HA2 -0.233 3.727 3.960 0.000 0.000 0.220 140 G HA3 -0.233 3.727 3.960 0.000 0.000 0.220 140 G C -0.213 174.409 174.900 -0.462 0.000 0.990 140 G CA -0.526 44.403 45.100 -0.285 0.000 0.646 140 G HN 0.243 nan 8.290 nan 0.000 0.517 141 F N 0.606 120.470 119.950 -0.143 0.000 2.394 141 F HA 0.616 5.143 4.527 0.000 0.000 0.340 141 F C 1.543 177.274 175.800 -0.115 0.000 1.105 141 F CA -0.290 57.636 58.000 -0.124 0.000 1.124 141 F CB 1.064 40.030 39.000 -0.057 0.000 1.145 141 F HN 0.078 nan 8.300 nan 0.000 0.505 142 H N 1.006 120.236 119.070 0.267 0.000 2.403 142 H HA 0.183 4.739 4.556 0.001 0.000 0.298 142 H C 0.197 175.643 175.328 0.196 0.000 1.059 142 H CA 0.747 56.900 56.048 0.175 0.000 1.363 142 H CB 0.370 30.219 29.762 0.145 0.000 1.410 142 H HN 0.319 nan 8.280 nan 0.000 0.528 143 R N 0.329 121.066 120.500 0.394 0.000 2.750 143 R HA 0.348 4.688 4.340 0.000 0.000 0.281 143 R C -1.810 174.775 176.300 0.475 0.000 0.972 143 R CA -0.904 55.444 56.100 0.413 0.000 0.912 143 R CB 2.481 33.022 30.300 0.403 0.000 1.187 143 R HN 0.007 nan 8.270 nan 0.000 0.464 144 F N 2.927 122.943 119.950 0.110 0.000 2.607 144 F HA 0.404 4.931 4.527 0.000 0.000 0.322 144 F C -2.008 173.574 175.800 -0.363 0.000 1.176 144 F CA -1.326 56.556 58.000 -0.197 0.000 0.977 144 F CB 1.404 40.254 39.000 -0.250 0.000 1.242 144 F HN 0.330 nan 8.300 nan 0.000 0.465 145 L N 6.545 127.093 121.223 -1.125 0.000 2.377 145 L HA 0.944 5.284 4.340 0.000 0.000 0.270 145 L C -0.527 175.731 176.870 -1.020 0.000 0.991 145 L CA 0.148 54.317 54.840 -1.118 0.000 0.851 145 L CB 1.091 42.548 42.059 -1.002 0.000 1.218 145 L HN 0.865 nan 8.230 nan 0.000 0.420 146 G N 4.359 112.512 108.800 -1.078 0.000 2.428 146 G HA2 0.368 4.329 3.960 0.000 0.000 0.305 146 G HA3 0.368 4.329 3.960 0.000 0.000 0.305 146 G C -1.663 173.121 174.900 -0.194 0.000 1.260 146 G CA -0.748 44.133 45.100 -0.365 0.000 0.853 146 G HN 0.387 nan 8.290 nan 0.000 0.480 147 I N 1.788 122.414 120.570 0.092 0.000 2.412 147 I HA 0.336 4.506 4.170 0.000 0.000 0.296 147 I C -1.521 174.615 176.117 0.033 0.000 0.987 147 I CA -2.203 59.085 61.300 -0.020 0.000 1.180 147 I CB 2.843 40.816 38.000 -0.044 0.000 1.340 147 I HN 0.291 nan 8.210 nan 0.000 0.455 148 P HA -0.015 nan 4.420 nan 0.000 0.245 148 P C -0.847 176.433 177.300 -0.033 0.000 1.212 148 P CA 1.096 64.173 63.100 -0.038 0.000 0.774 148 P CB 0.043 31.656 31.700 -0.145 0.000 0.999 149 Y N -3.187 117.146 120.300 0.056 0.000 3.008 149 Y HA 0.539 5.089 4.550 0.001 0.000 0.306 149 Y C 0.052 175.770 175.900 -0.304 0.000 1.643 149 Y CA -2.021 55.906 58.100 -0.288 0.000 1.087 149 Y CB -0.627 37.637 38.460 -0.326 0.000 1.760 149 Y HN -0.336 nan 8.280 nan 0.000 0.438 150 S N 0.837 116.403 115.700 -0.223 0.000 2.600 150 S HA 0.076 4.546 4.470 0.000 0.000 0.265 150 S C 0.718 175.298 174.600 -0.034 0.000 1.325 150 S CA 0.011 58.127 58.200 -0.140 0.000 1.002 150 S CB 0.131 63.064 63.200 -0.445 0.000 0.921 150 S HN 0.980 nan 8.310 nan 0.000 0.554 151 H N 0.653 119.617 119.070 -0.177 0.000 2.555 151 H HA -0.000 4.556 4.556 0.001 0.000 0.269 151 H C 0.505 175.748 175.328 -0.142 0.000 0.988 151 H CA 1.084 56.992 56.048 -0.233 0.000 1.178 151 H CB -0.404 29.084 29.762 -0.456 0.000 1.373 151 H HN 0.780 nan 8.280 nan 0.000 0.588 152 D N 0.753 120.931 120.400 -0.370 0.000 2.349 152 D HA -0.076 4.564 4.640 0.000 0.000 0.214 152 D C 0.351 176.620 176.300 -0.053 0.000 1.063 152 D CA -0.205 53.666 54.000 -0.215 0.000 0.847 152 D CB -0.275 40.482 40.800 -0.073 0.000 0.933 152 D HN 0.376 nan 8.370 nan 0.000 0.513 153 Q N 0.866 120.638 119.800 -0.048 0.000 3.170 153 Q HA 0.492 4.833 4.340 0.000 0.000 0.346 153 Q C 0.100 176.074 176.000 -0.044 0.000 1.333 153 Q CA -0.333 55.426 55.803 -0.073 0.000 0.958 153 Q CB 0.551 29.155 28.738 -0.225 0.000 1.600 153 Q HN 0.356 nan 8.270 nan 0.000 0.482 154 G N 1.077 109.868 108.800 -0.014 0.000 2.356 154 G HA2 0.250 4.211 3.960 0.000 0.000 0.294 154 G HA3 0.250 4.211 3.960 0.000 0.000 0.294 154 G C -3.280 171.616 174.900 -0.008 0.000 1.423 154 G CA -1.012 44.087 45.100 -0.002 0.000 0.806 154 G HN -0.097 nan 8.290 nan 0.000 0.527 155 P HA 0.299 nan 4.420 nan 0.000 0.271 155 P C 0.829 178.116 177.300 -0.022 0.000 1.216 155 P CA -0.077 63.018 63.100 -0.009 0.000 0.776 155 P CB 1.107 32.800 31.700 -0.011 0.000 0.881 156 c N 1.630 120.220 118.600 -0.016 0.000 3.626 156 c HA 0.158 4.729 4.570 0.000 0.000 0.276 156 c C 1.702 175.783 174.090 -0.015 0.000 1.694 156 c CA -0.270 56.037 56.329 -0.038 0.000 1.785 156 c CB -0.794 41.669 42.510 -0.079 0.000 3.152 156 c HN 0.498 nan 8.230 nan 0.000 0.571 157 Q N 1.990 121.793 119.800 0.005 0.000 2.291 157 Q HA -0.113 4.227 4.340 0.000 0.000 0.206 157 Q C 0.722 176.730 176.000 0.013 0.000 0.976 157 Q CA 1.825 57.639 55.803 0.018 0.000 0.875 157 Q CB -0.839 27.913 28.738 0.022 0.000 0.927 157 Q HN 0.867 nan 8.270 nan 0.000 0.450 158 N N -0.075 118.626 118.700 0.002 0.000 2.236 158 N HA 0.244 4.984 4.740 0.000 0.000 0.196 158 N C -0.296 175.220 175.510 0.009 0.000 1.114 158 N CA -0.295 52.760 53.050 0.008 0.000 0.859 158 N CB 0.547 39.034 38.487 0.000 0.000 0.982 158 N HN 0.076 nan 8.380 nan 0.000 0.493 159 L N 0.944 122.159 121.223 -0.013 0.000 2.395 159 L HA 0.217 4.557 4.340 0.000 0.000 0.269 159 L C 0.416 177.269 176.870 -0.028 0.000 1.133 159 L CA -0.206 54.615 54.840 -0.031 0.000 0.812 159 L CB 0.948 42.953 42.059 -0.091 0.000 1.125 159 L HN -0.004 nan 8.230 nan 0.000 0.452 160 T N 0.670 115.207 114.554 -0.029 0.000 2.794 160 T HA 0.063 4.413 4.350 0.000 0.000 0.296 160 T C 0.582 175.171 174.700 -0.185 0.000 0.949 160 T CA -0.433 61.644 62.100 -0.039 0.000 1.101 160 T CB 0.903 69.802 68.868 0.051 0.000 0.905 160 T HN 0.686 nan 8.240 nan 0.000 0.516 161 c N 3.003 121.518 118.600 -0.142 0.000 2.609 161 c HA 0.418 4.989 4.570 0.000 0.000 0.305 161 c C -0.007 173.719 174.090 -0.607 0.000 1.319 161 c CA -0.265 55.863 56.329 -0.334 0.000 1.793 161 c CB -0.414 41.975 42.510 -0.202 0.000 2.260 161 c HN 0.802 nan 8.230 nan 0.000 0.535 162 F N 1.794 121.743 119.950 -0.001 0.000 2.557 162 F HA 0.436 4.964 4.527 0.000 0.000 0.316 162 F C -2.346 173.460 175.800 0.010 0.000 1.141 162 F CA -2.489 55.515 58.000 0.006 0.000 0.922 162 F CB 1.146 40.167 39.000 0.034 0.000 1.194 162 F HN -0.115 nan 8.300 nan 0.000 0.443 163 P HA 0.206 nan 4.420 nan 0.000 0.277 163 P C -2.234 175.165 177.300 0.165 0.000 1.240 163 P CA -1.251 61.951 63.100 0.169 0.000 0.798 163 P CB 1.170 32.974 31.700 0.173 0.000 0.979 164 P HA 0.098 nan 4.420 nan 0.000 0.221 164 P C 0.524 177.934 177.300 0.184 0.000 1.155 164 P CA 1.005 64.213 63.100 0.179 0.000 0.812 164 P CB 0.271 32.046 31.700 0.124 0.000 0.801 165 A N -1.157 121.750 122.820 0.144 0.000 2.758 165 A HA 0.294 4.614 4.320 0.000 0.000 0.223 165 A C 0.044 177.699 177.584 0.119 0.000 0.877 165 A CA -0.220 51.897 52.037 0.132 0.000 1.152 165 A CB -0.716 18.348 19.000 0.108 0.000 1.239 165 A HN -0.035 nan 8.150 nan 0.000 0.470 166 T N 4.131 118.772 114.554 0.145 0.000 2.727 166 T HA 0.410 4.760 4.350 0.000 0.000 0.295 166 T C -2.561 172.228 174.700 0.149 0.000 0.915 166 T CA -0.742 61.454 62.100 0.161 0.000 1.066 166 T CB 0.651 69.655 68.868 0.225 0.000 0.891 166 T HN 0.326 nan 8.240 nan 0.000 0.516 167 P HA 0.192 nan 4.420 nan 0.000 0.271 167 P C -0.017 177.339 177.300 0.094 0.000 1.218 167 P CA -0.722 62.426 63.100 0.080 0.000 0.780 167 P CB 0.354 32.094 31.700 0.068 0.000 0.901 168 c N 2.783 121.408 118.600 0.041 0.000 2.641 168 c HA 0.039 4.609 4.570 0.000 0.000 0.412 168 c C 1.095 175.231 174.090 0.076 0.000 1.312 168 c CA -0.007 56.340 56.329 0.031 0.000 1.838 168 c CB -1.020 41.454 42.510 -0.061 0.000 2.682 168 c HN 0.639 nan 8.230 nan 0.000 0.627 169 D N 0.731 121.204 120.400 0.121 0.000 2.210 169 D HA 0.403 5.043 4.640 0.000 0.000 0.249 169 D C 0.880 177.330 176.300 0.250 0.000 1.062 169 D CA 0.397 54.506 54.000 0.181 0.000 0.891 169 D CB 1.168 42.101 40.800 0.222 0.000 1.186 169 D HN 0.991 nan 8.370 nan 0.000 0.432 170 G N 1.177 110.100 108.800 0.205 0.000 2.189 170 G HA2 -0.249 3.712 3.960 0.000 0.000 0.267 170 G HA3 -0.249 3.712 3.960 0.000 0.000 0.267 170 G C 1.180 176.193 174.900 0.188 0.000 0.975 170 G CA 0.767 45.992 45.100 0.208 0.000 0.644 170 G HN 1.708 nan 8.290 nan 0.000 0.537 171 G N -1.704 107.180 108.800 0.140 0.000 2.304 171 G HA2 -0.156 3.805 3.960 0.000 0.000 0.252 171 G HA3 -0.156 3.805 3.960 0.000 0.000 0.252 171 G C 1.902 176.863 174.900 0.102 0.000 1.014 171 G CA 1.362 46.520 45.100 0.096 0.000 0.619 171 G HN 2.194 nan 8.290 nan 0.000 0.525 172 c N -0.787 117.930 118.600 0.196 0.000 0.168 172 c HA -0.120 4.450 4.570 0.000 0.000 0.017 172 c C 0.565 174.720 174.090 0.107 0.000 0.171 172 c CA 0.514 56.956 56.329 0.187 0.000 0.499 172 c CB -1.287 41.254 42.510 0.052 0.000 3.212 172 c HN 0.844 nan 8.230 nan 0.000 1.118 173 D N 1.548 121.987 120.400 0.066 0.000 2.308 173 D HA 0.454 5.094 4.640 0.000 0.000 0.251 173 D C 0.160 176.470 176.300 0.017 0.000 1.127 173 D CA 0.206 54.227 54.000 0.035 0.000 0.876 173 D CB 0.471 41.277 40.800 0.010 0.000 1.176 173 D HN 0.305 nan 8.370 nan 0.000 0.446 174 Q N 0.009 119.818 119.800 0.015 0.000 2.205 174 Q HA 0.533 4.873 4.340 0.000 0.000 0.249 174 Q C 1.101 177.101 176.000 0.001 0.000 0.948 174 Q CA -0.649 55.159 55.803 0.008 0.000 0.895 174 Q CB 1.605 30.350 28.738 0.011 0.000 1.249 174 Q HN 0.735 nan 8.270 nan 0.000 0.458 175 G N 0.347 109.146 108.800 -0.002 0.000 2.143 175 G HA2 -0.219 3.741 3.960 0.000 0.000 0.249 175 G HA3 -0.219 3.741 3.960 0.000 0.000 0.249 175 G C -0.207 174.691 174.900 -0.004 0.000 0.981 175 G CA 0.218 45.317 45.100 -0.002 0.000 0.665 175 G HN 0.338 nan 8.290 nan 0.000 0.528 176 L N -0.761 120.459 121.223 -0.006 0.000 2.279 176 L HA 0.716 5.056 4.340 0.000 0.000 0.262 176 L C 1.070 177.943 176.870 0.005 0.000 1.019 176 L CA -1.467 53.370 54.840 -0.006 0.000 0.823 176 L CB 1.842 43.886 42.059 -0.025 0.000 1.358 176 L HN -0.052 nan 8.230 nan 0.000 0.432 177 V N 1.811 121.738 119.914 0.022 0.000 2.999 177 V HA 0.079 4.199 4.120 0.000 0.000 0.307 177 V C -1.915 174.202 176.094 0.038 0.000 1.084 177 V CA -0.863 61.458 62.300 0.035 0.000 1.155 177 V CB 1.073 32.933 31.823 0.062 0.000 0.975 177 V HN 0.588 nan 8.190 nan 0.000 0.490 178 P HA 0.147 nan 4.420 nan 0.000 0.270 178 P C -0.351 176.973 177.300 0.041 0.000 1.223 178 P CA -0.274 62.836 63.100 0.017 0.000 0.785 178 P CB 0.375 32.076 31.700 0.002 0.000 0.923 179 I N 4.308 124.894 120.570 0.027 0.000 2.662 179 I HA 0.039 4.209 4.170 0.000 0.000 0.285 179 I C -1.802 174.288 176.117 -0.045 0.000 1.161 179 I CA -0.998 60.315 61.300 0.022 0.000 1.415 179 I CB 0.165 38.149 38.000 -0.027 0.000 1.385 179 I HN 0.250 nan 8.210 nan 0.000 0.552 180 P HA 0.169 nan 4.420 nan 0.000 0.296 180 P C -1.007 176.206 177.300 -0.144 0.000 1.306 180 P CA -0.639 62.403 63.100 -0.095 0.000 0.818 180 P CB 1.543 33.201 31.700 -0.071 0.000 0.969 181 L N 5.207 126.346 121.223 -0.140 0.000 2.260 181 L HA 0.348 4.688 4.340 0.000 0.000 0.289 181 L C -0.877 175.881 176.870 -0.186 0.000 1.057 181 L CA -0.138 54.603 54.840 -0.164 0.000 0.811 181 L CB -0.160 41.806 42.059 -0.154 0.000 1.184 181 L HN 0.254 nan 8.230 nan 0.000 0.429 182 L N 5.402 126.460 121.223 -0.276 0.000 2.329 182 L HA 0.767 5.107 4.340 0.000 0.000 0.279 182 L C -0.127 176.470 176.870 -0.455 0.000 1.014 182 L CA -0.838 53.824 54.840 -0.296 0.000 0.814 182 L CB 1.795 43.710 42.059 -0.239 0.000 1.257 182 L HN 0.747 nan 8.230 nan 0.000 0.424 183 A N 3.127 125.782 122.820 -0.275 0.000 2.277 183 A HA 0.540 4.860 4.320 0.000 0.000 0.318 183 A C 0.247 177.759 177.584 -0.120 0.000 1.339 183 A CA -0.460 51.436 52.037 -0.235 0.000 0.875 183 A CB 0.326 19.251 19.000 -0.125 0.000 1.158 183 A HN 0.942 nan 8.150 nan 0.000 0.514 184 N N 0.527 119.178 118.700 -0.082 0.000 1.347 184 N HA -0.259 4.481 4.740 0.000 0.000 0.141 184 N C 0.563 176.116 175.510 0.072 0.000 0.677 184 N CA 2.189 55.285 53.050 0.076 0.000 1.016 184 N CB -0.924 37.590 38.487 0.045 0.000 1.268 184 N HN 0.627 nan 8.380 nan 0.000 0.487 185 L N 0.412 121.645 121.223 0.017 0.000 2.700 185 L HA 0.306 4.646 4.340 0.000 0.000 0.234 185 L C -0.022 176.852 176.870 0.007 0.000 1.156 185 L CA 0.036 54.887 54.840 0.018 0.000 0.946 185 L CB 0.213 42.281 42.059 0.014 0.000 1.216 185 L HN 0.103 nan 8.230 nan 0.000 0.493 186 S N -0.037 115.653 115.700 -0.018 0.000 2.501 186 S HA 0.449 4.919 4.470 0.000 0.000 0.301 186 S C 0.085 174.656 174.600 -0.047 0.000 1.096 186 S CA -0.575 57.612 58.200 -0.021 0.000 1.063 186 S CB 2.686 65.874 63.200 -0.020 0.000 1.042 186 S HN -0.119 nan 8.310 nan 0.000 0.494 187 V N 2.995 122.887 119.914 -0.037 0.000 2.421 187 V HA 0.062 4.182 4.120 0.000 0.000 0.271 187 V C 1.483 177.539 176.094 -0.063 0.000 1.031 187 V CA 0.254 62.520 62.300 -0.056 0.000 1.032 187 V CB 0.054 31.852 31.823 -0.042 0.000 1.009 187 V HN 1.040 nan 8.190 nan 0.000 0.477 188 E N 3.935 124.083 120.200 -0.086 0.000 2.216 188 E HA 0.261 4.611 4.350 0.000 0.000 0.192 188 E C 0.626 177.181 176.600 -0.076 0.000 0.988 188 E CA 0.975 57.327 56.400 -0.079 0.000 0.834 188 E CB 0.337 29.978 29.700 -0.098 0.000 0.772 188 E HN 0.902 nan 8.360 nan 0.000 0.479 189 A N 0.193 122.963 122.820 -0.084 0.000 2.594 189 A HA 0.458 4.779 4.320 0.000 0.000 0.296 189 A C -1.560 175.977 177.584 -0.079 0.000 1.056 189 A CA -0.564 51.427 52.037 -0.078 0.000 0.693 189 A CB 1.350 20.307 19.000 -0.072 0.000 1.278 189 A HN 0.080 nan 8.150 nan 0.000 0.408 190 Q N 1.909 121.668 119.800 -0.068 0.000 2.795 190 Q HA 0.411 4.751 4.340 0.000 0.000 0.220 190 Q C -3.117 172.876 176.000 -0.013 0.000 0.795 190 Q CA -1.203 54.569 55.803 -0.051 0.000 0.875 190 Q CB 2.654 31.358 28.738 -0.056 0.000 1.467 190 Q HN 0.571 nan 8.270 nan 0.000 0.449 191 P HA 0.495 nan 4.420 nan 0.000 0.283 191 P C -2.731 174.539 177.300 -0.050 0.000 1.278 191 P CA -1.674 61.399 63.100 -0.045 0.000 0.834 191 P CB 1.323 32.994 31.700 -0.049 0.000 1.150 192 P HA 0.057 nan 4.420 nan 0.000 0.274 192 P C -0.910 176.370 177.300 -0.034 0.000 1.246 192 P CA -0.201 62.849 63.100 -0.083 0.000 0.795 192 P CB 0.509 32.106 31.700 -0.171 0.000 1.006 193 W N 2.634 123.819 121.300 -0.192 0.000 2.387 193 W HA 0.210 4.871 4.660 0.001 0.000 0.310 193 W C 0.943 177.310 176.519 -0.253 0.000 1.181 193 W CA -0.186 57.051 57.345 -0.181 0.000 1.333 193 W CB -0.374 29.011 29.460 -0.125 0.000 1.286 193 W HN 0.256 nan 8.180 nan 0.000 0.455 194 L N 7.605 128.450 121.223 -0.630 0.000 2.079 194 L HA -0.143 4.197 4.340 0.000 0.000 0.210 194 L C -0.339 176.094 176.870 -0.728 0.000 1.081 194 L CA 1.061 55.388 54.840 -0.855 0.000 0.752 194 L CB -1.683 39.725 42.059 -1.085 0.000 0.896 194 L HN 0.283 nan 8.230 nan 0.000 0.433 195 P HA -0.109 nan 4.420 nan 0.000 0.228 195 P C 1.079 178.041 177.300 -0.564 0.000 1.151 195 P CA 1.419 64.021 63.100 -0.830 0.000 0.770 195 P CB -0.048 30.939 31.700 -1.190 0.000 0.786 196 G N -1.797 106.745 108.800 -0.429 0.000 3.228 196 G HA2 0.043 4.004 3.960 0.000 0.000 0.245 196 G HA3 0.043 4.004 3.960 0.000 0.000 0.245 196 G C 1.103 175.948 174.900 -0.091 0.000 1.051 196 G CA -0.180 44.903 45.100 -0.028 0.000 0.809 196 G HN 0.169 nan 8.290 nan 0.000 0.531 197 L N 0.394 121.482 121.223 -0.226 0.000 2.042 197 L HA -0.106 4.235 4.340 0.000 0.000 0.210 197 L C 2.839 179.413 176.870 -0.493 0.000 1.076 197 L CA 1.875 56.466 54.840 -0.414 0.000 0.749 197 L CB -0.026 41.736 42.059 -0.496 0.000 0.893 197 L HN 0.396 nan 8.230 nan 0.000 0.432 198 E N 0.349 120.441 120.200 -0.179 0.000 2.023 198 E HA -0.276 4.074 4.350 0.000 0.000 0.196 198 E C 2.028 178.624 176.600 -0.007 0.000 1.003 198 E CA 1.619 58.011 56.400 -0.012 0.000 0.809 198 E CB -0.045 29.744 29.700 0.148 0.000 0.755 198 E HN 0.478 nan 8.360 nan 0.000 0.449 199 A N 1.876 124.702 122.820 0.010 0.000 1.917 199 A HA -0.235 4.085 4.320 0.000 0.000 0.219 199 A C 2.318 179.905 177.584 0.006 0.000 1.182 199 A CA 1.904 53.956 52.037 0.026 0.000 0.633 199 A CB -0.668 18.358 19.000 0.044 0.000 0.819 199 A HN 0.285 nan 8.150 nan 0.000 0.448 200 R N -1.707 118.759 120.500 -0.056 0.000 2.096 200 R HA -0.193 4.148 4.340 0.000 0.000 0.240 200 R C 2.043 178.397 176.300 0.089 0.000 1.139 200 R CA 1.885 57.966 56.100 -0.033 0.000 0.952 200 R CB -0.656 29.568 30.300 -0.126 0.000 0.854 200 R HN 0.653 nan 8.270 nan 0.000 0.436 201 Y N 0.185 120.469 120.300 -0.027 0.000 2.224 201 Y HA -0.111 4.440 4.550 0.000 0.000 0.289 201 Y C 2.354 178.218 175.900 -0.060 0.000 1.146 201 Y CA 0.666 58.728 58.100 -0.064 0.000 1.182 201 Y CB -0.414 37.983 38.460 -0.105 0.000 0.983 201 Y HN -0.009 nan 8.280 nan 0.000 0.524 202 M N -0.668 118.973 119.600 0.068 0.000 2.229 202 M HA -0.075 4.406 4.480 0.000 0.000 0.264 202 M C 2.381 178.722 176.300 0.069 0.000 1.063 202 M CA 1.314 56.617 55.300 0.006 0.000 1.114 202 M CB -1.533 31.065 32.600 -0.005 0.000 1.387 202 M HN 0.251 nan 8.290 nan 0.000 0.420 203 A N -0.371 122.507 122.820 0.097 0.000 1.873 203 A HA -0.177 4.144 4.320 0.000 0.000 0.215 203 A C 2.131 179.798 177.584 0.139 0.000 1.186 203 A CA 1.191 53.285 52.037 0.095 0.000 0.616 203 A CB -1.089 17.953 19.000 0.071 0.000 0.823 203 A HN 0.438 nan 8.150 nan 0.000 0.442 204 F N 1.198 121.156 119.950 0.013 0.000 2.126 204 F HA -0.119 4.408 4.527 0.001 0.000 0.299 204 F C 2.409 178.187 175.800 -0.036 0.000 1.096 204 F CA 1.374 59.372 58.000 -0.004 0.000 1.255 204 F CB -0.341 38.661 39.000 0.004 0.000 0.997 204 F HN 0.249 nan 8.300 nan 0.000 0.479 205 A N 0.021 122.842 122.820 0.002 0.000 1.855 205 A HA -0.254 4.066 4.320 0.000 0.000 0.215 205 A C 2.392 179.826 177.584 -0.249 0.000 1.191 205 A CA 1.733 53.670 52.037 -0.167 0.000 0.613 205 A CB -1.641 17.315 19.000 -0.074 0.000 0.829 205 A HN 0.681 nan 8.150 nan 0.000 0.442 206 H N 0.216 119.176 119.070 -0.183 0.000 2.319 206 H HA -0.182 4.375 4.556 0.000 0.000 0.297 206 H C 1.290 176.497 175.328 -0.202 0.000 1.097 206 H CA 2.160 58.106 56.048 -0.169 0.000 1.285 206 H CB -0.122 29.582 29.762 -0.096 0.000 1.368 206 H HN 0.408 nan 8.280 nan 0.000 0.495 207 D N 0.554 120.869 120.400 -0.142 0.000 2.178 207 D HA -0.123 4.517 4.640 0.000 0.000 0.202 207 D C 2.397 178.497 176.300 -0.333 0.000 0.974 207 D CA 0.621 54.506 54.000 -0.192 0.000 0.841 207 D CB -0.406 40.319 40.800 -0.125 0.000 0.953 207 D HN 0.344 nan 8.370 nan 0.000 0.478 208 L N -0.187 120.757 121.223 -0.465 0.000 2.093 208 L HA -0.045 4.295 4.340 0.000 0.000 0.208 208 L C 2.075 178.677 176.870 -0.447 0.000 1.085 208 L CA 1.296 55.869 54.840 -0.444 0.000 0.755 208 L CB -0.230 41.522 42.059 -0.512 0.000 0.904 208 L HN -0.059 nan 8.230 nan 0.000 0.435 209 M N -0.820 118.402 119.600 -0.630 0.000 2.064 209 M HA -0.143 4.337 4.480 0.000 0.000 0.260 209 M C 2.389 178.429 176.300 -0.434 0.000 1.073 209 M CA 1.728 56.534 55.300 -0.824 0.000 1.124 209 M CB -0.701 31.363 32.600 -0.893 0.000 1.326 209 M HN 0.438 nan 8.290 nan 0.000 0.410 210 A N 1.058 123.623 122.820 -0.425 0.000 1.859 210 A HA -0.267 4.053 4.320 0.000 0.000 0.218 210 A C 1.663 179.150 177.584 -0.162 0.000 1.209 210 A CA 2.521 54.394 52.037 -0.273 0.000 0.639 210 A CB -1.258 17.555 19.000 -0.312 0.000 0.835 210 A HN 0.472 nan 8.150 nan 0.000 0.450 211 D N -0.048 120.259 120.400 -0.156 0.000 2.154 211 D HA -0.199 4.441 4.640 0.000 0.000 0.190 211 D C 2.152 178.413 176.300 -0.064 0.000 1.003 211 D CA 2.088 56.030 54.000 -0.097 0.000 0.849 211 D CB -0.682 40.060 40.800 -0.097 0.000 0.942 211 D HN 0.499 nan 8.370 nan 0.000 0.446 212 A N 0.360 123.147 122.820 -0.055 0.000 1.933 212 A HA -0.255 4.065 4.320 0.000 0.000 0.218 212 A C 2.154 179.757 177.584 0.032 0.000 1.175 212 A CA 1.966 54.019 52.037 0.027 0.000 0.628 212 A CB -0.722 18.367 19.000 0.150 0.000 0.814 212 A HN 0.298 nan 8.150 nan 0.000 0.444 213 Q N -0.747 119.060 119.800 0.012 0.000 2.030 213 Q HA -0.267 4.074 4.340 0.000 0.000 0.204 213 Q C 2.529 178.530 176.000 0.002 0.000 0.986 213 Q CA 2.627 58.442 55.803 0.020 0.000 0.843 213 Q CB -0.351 28.390 28.738 0.004 0.000 0.904 213 Q HN 0.641 nan 8.270 nan 0.000 0.420 214 R N 0.890 121.380 120.500 -0.017 0.000 2.133 214 R HA -0.231 4.109 4.340 0.000 0.000 0.245 214 R C 1.808 178.101 176.300 -0.012 0.000 1.137 214 R CA 2.346 58.437 56.100 -0.016 0.000 0.947 214 R CB -1.801 nan 30.300 nan 0.000 0.865 214 R HN 0.658 nan 8.270 nan 0.000 0.437 215 Q N -0.464 119.328 119.800 -0.013 0.000 2.329 215 Q HA 0.269 4.609 4.340 0.000 0.000 0.208 215 Q C 0.487 176.481 176.000 -0.011 0.000 0.934 215 Q CA 0.506 56.301 55.803 -0.014 0.000 0.951 215 Q CB -0.437 28.289 28.738 -0.019 0.000 1.017 215 Q HN 0.822 nan 8.270 nan 0.000 0.490 216 D N 1.524 121.921 120.400 -0.005 0.000 2.708 216 D HA -0.219 4.421 4.640 0.000 0.000 0.236 216 D C -0.112 176.175 176.300 -0.021 0.000 1.146 216 D CA 1.315 55.311 54.000 -0.007 0.000 0.662 216 D CB -1.832 nan 40.800 nan 0.000 1.059 216 D HN 0.580 nan 8.370 nan 0.000 0.428 217 R N -1.606 118.883 120.500 -0.017 0.000 2.807 217 R HA 0.808 5.148 4.340 0.000 0.000 0.276 217 R C -3.262 172.995 176.300 -0.072 0.000 0.979 217 R CA -2.040 54.026 56.100 -0.056 0.000 0.928 217 R CB 1.945 32.222 30.300 -0.039 0.000 1.191 217 R HN 0.129 nan 8.270 nan 0.000 0.471 218 P HA 0.086 nan 4.420 nan 0.000 0.276 218 P C -1.018 176.145 177.300 -0.229 0.000 1.235 218 P CA -0.227 62.614 63.100 -0.431 0.000 0.772 218 P CB 0.299 31.434 31.700 -0.941 0.000 0.871 219 F N 1.901 121.851 119.950 -0.001 0.000 2.440 219 F HA 0.740 5.268 4.527 0.000 0.000 0.328 219 F C -0.932 175.143 175.800 0.459 0.000 1.070 219 F CA -1.648 56.470 58.000 0.197 0.000 1.011 219 F CB 0.865 39.923 39.000 0.096 0.000 1.226 219 F HN 0.151 nan 8.300 nan 0.000 0.491 220 F N 4.494 124.743 119.950 0.498 0.000 2.500 220 F HA 0.605 5.132 4.527 0.000 0.000 0.349 220 F C -1.960 174.094 175.800 0.424 0.000 1.127 220 F CA -1.624 56.574 58.000 0.330 0.000 0.998 220 F CB 1.204 40.281 39.000 0.130 0.000 1.237 220 F HN 0.626 nan 8.300 nan 0.000 0.439 221 L N 7.573 128.822 121.223 0.043 0.000 2.296 221 L HA 0.445 4.785 4.340 0.000 0.000 0.286 221 L C -1.891 174.798 176.870 -0.301 0.000 1.023 221 L CA -0.613 54.179 54.840 -0.081 0.000 0.812 221 L CB 0.998 43.142 42.059 0.143 0.000 1.223 221 L HN 0.576 nan 8.230 nan 0.000 0.421 222 Y N 5.983 126.016 120.300 -0.444 0.000 2.700 222 Y HA 0.285 4.835 4.550 0.000 0.000 0.333 222 Y C -1.367 174.516 175.900 -0.028 0.000 1.036 222 Y CA -1.088 56.862 58.100 -0.249 0.000 1.287 222 Y CB 0.151 38.501 38.460 -0.183 0.000 1.132 222 Y HN 0.612 nan 8.280 nan 0.000 0.510 223 Y N 5.427 125.604 120.300 -0.204 0.000 2.751 223 Y HA 0.586 5.136 4.550 0.001 0.000 0.333 223 Y C -0.310 175.368 175.900 -0.369 0.000 1.122 223 Y CA -1.929 56.008 58.100 -0.272 0.000 1.367 223 Y CB -0.001 38.414 38.460 -0.075 0.000 1.242 223 Y HN 0.664 nan 8.280 nan 0.000 0.505 224 A N 4.592 126.968 122.820 -0.740 0.000 2.990 224 A HA 0.319 4.640 4.320 0.000 0.000 0.282 224 A C 0.732 177.891 177.584 -0.709 0.000 1.688 224 A CA -0.011 51.615 52.037 -0.686 0.000 1.391 224 A CB -0.767 17.815 19.000 -0.696 0.000 1.112 224 A HN 0.649 nan 8.150 nan 0.000 0.588 225 S N 0.279 115.438 115.700 -0.902 0.000 2.576 225 S HA 0.091 4.561 4.470 0.000 0.000 0.272 225 S C 1.097 175.394 174.600 -0.505 0.000 1.352 225 S CA 0.071 57.839 58.200 -0.720 0.000 1.021 225 S CB 0.183 62.986 63.200 -0.661 0.000 0.887 225 S HN 0.741 nan 8.310 nan 0.000 0.542 226 H N 0.788 119.759 119.070 -0.165 0.000 2.497 226 H HA 0.180 4.736 4.556 0.000 0.000 0.282 226 H C 0.266 175.495 175.328 -0.166 0.000 1.003 226 H CA 0.442 56.412 56.048 -0.129 0.000 1.307 226 H CB 0.067 29.703 29.762 -0.209 0.000 1.437 226 H HN 0.546 nan 8.280 nan 0.000 0.544 227 H N 0.894 119.906 119.070 -0.097 0.000 2.764 227 H HA 0.060 4.616 4.556 0.000 0.000 0.341 227 H C 0.551 175.815 175.328 -0.108 0.000 1.072 227 H CA 0.650 56.581 56.048 -0.194 0.000 1.444 227 H CB 0.688 30.263 29.762 -0.311 0.000 1.458 227 H HN 0.259 nan 8.280 nan 0.000 0.572 228 T N 0.251 114.838 114.554 0.055 0.000 3.416 228 T HA 0.053 4.403 4.350 0.000 0.000 0.245 228 T C 0.250 175.066 174.700 0.193 0.000 1.081 228 T CA -0.702 61.394 62.100 -0.007 0.000 1.190 228 T CB -0.232 68.418 68.868 -0.363 0.000 1.068 228 T HN 0.507 nan 8.240 nan 0.000 0.580 229 H N 1.592 120.794 119.070 0.221 0.000 2.629 229 H HA 0.207 4.763 4.556 0.001 0.000 0.357 229 H C -0.457 175.090 175.328 0.366 0.000 1.121 229 H CA -0.379 55.852 56.048 0.305 0.000 1.406 229 H CB 0.637 30.590 29.762 0.317 0.000 1.456 229 H HN 0.550 nan 8.280 nan 0.000 0.579 230 Y N 6.349 126.767 120.300 0.197 0.000 2.597 230 Y HA 0.122 4.672 4.550 0.001 0.000 0.336 230 Y C -2.255 173.727 175.900 0.137 0.000 1.216 230 Y CA -1.582 56.640 58.100 0.203 0.000 1.463 230 Y CB 0.522 39.024 38.460 0.069 0.000 1.303 230 Y HN 0.443 nan 8.280 nan 0.000 0.576 231 P HA 0.064 nan 4.420 nan 0.000 0.282 231 P C -1.261 176.172 177.300 0.221 0.000 1.249 231 P CA -0.392 62.401 63.100 -0.511 0.000 0.806 231 P CB 1.198 32.497 31.700 -0.667 0.000 0.984 232 Q N 1.907 121.859 119.800 0.252 0.000 2.454 232 Q HA 0.363 4.703 4.340 0.000 0.000 0.247 232 Q C 0.053 176.123 176.000 0.116 0.000 1.028 232 Q CA 0.575 56.535 55.803 0.262 0.000 0.910 232 Q CB -0.005 28.937 28.738 0.339 0.000 1.276 232 Q HN 0.609 nan 8.270 nan 0.000 0.489 233 F N -2.611 117.154 119.950 -0.309 0.000 2.744 233 F HA 0.608 5.136 4.527 0.000 0.000 0.311 233 F C -1.221 174.309 175.800 -0.449 0.000 1.144 233 F CA -0.879 56.594 58.000 -0.878 0.000 0.938 233 F CB 0.915 39.575 39.000 -0.567 0.000 1.292 233 F HN 0.559 nan 8.300 nan 0.000 0.444 234 S N 0.874 116.318 115.700 -0.426 0.000 2.587 234 S HA 0.815 5.285 4.470 0.000 0.000 0.269 234 S C -0.669 173.972 174.600 0.069 0.000 1.154 234 S CA -0.441 57.742 58.200 -0.027 0.000 0.824 234 S CB 1.007 64.310 63.200 0.172 0.000 1.118 234 S HN 1.733 nan 8.310 nan 0.000 0.462 235 G N -0.224 108.685 108.800 0.182 0.000 2.599 235 G HA2 0.395 4.355 3.960 0.000 0.000 0.264 235 G HA3 0.395 4.355 3.960 0.000 0.000 0.264 235 G C 0.473 175.446 174.900 0.122 0.000 1.200 235 G CA 0.026 45.188 45.100 0.102 0.000 0.896 235 G HN 0.992 nan 8.290 nan 0.000 0.536 236 Q N -0.606 119.223 119.800 0.049 0.000 2.291 236 Q HA -0.114 4.227 4.340 0.000 0.000 0.206 236 Q C 2.134 178.074 176.000 -0.100 0.000 0.976 236 Q CA 2.063 57.881 55.803 0.025 0.000 0.875 236 Q CB -0.149 28.614 28.738 0.042 0.000 0.927 236 Q HN 0.452 nan 8.270 nan 0.000 0.450 237 S N -0.466 115.047 115.700 -0.311 0.000 2.515 237 S HA -0.009 4.462 4.470 0.000 0.000 0.231 237 S C 0.571 174.724 174.600 -0.746 0.000 0.987 237 S CA 0.647 58.486 58.200 -0.601 0.000 0.936 237 S CB -0.039 62.616 63.200 -0.908 0.000 0.766 237 S HN 0.446 nan 8.310 nan 0.000 0.528 238 F N 1.085 121.046 119.950 0.018 0.000 2.706 238 F HA 0.495 5.022 4.527 0.001 0.000 0.308 238 F C 1.148 176.964 175.800 0.026 0.000 1.095 238 F CA -1.006 56.995 58.000 0.003 0.000 1.244 238 F CB -0.352 38.631 39.000 -0.029 0.000 1.063 238 F HN 0.014 nan 8.300 nan 0.000 0.582 239 A N 1.102 124.034 122.820 0.187 0.000 2.522 239 A HA 0.219 4.539 4.320 0.000 0.000 0.256 239 A C 0.978 178.568 177.584 0.009 0.000 1.086 239 A CA 0.135 52.260 52.037 0.146 0.000 0.763 239 A CB -0.535 18.588 19.000 0.205 0.000 1.024 239 A HN 0.598 nan 8.150 nan 0.000 0.502 240 E N -0.348 119.808 120.200 -0.074 0.000 2.791 240 E HA -0.335 4.015 4.350 0.000 0.000 0.271 240 E C 1.083 177.671 176.600 -0.019 0.000 1.044 240 E CA 0.999 57.357 56.400 -0.071 0.000 0.814 240 E CB -1.991 27.668 29.700 -0.069 0.000 1.400 240 E HN 0.977 nan 8.360 nan 0.000 0.423 241 R N 0.601 121.111 120.500 0.016 0.000 2.344 241 R HA 0.201 4.541 4.340 0.000 0.000 0.209 241 R C 1.160 177.482 176.300 0.036 0.000 0.886 241 R CA 0.910 57.026 56.100 0.027 0.000 1.040 241 R CB 0.169 30.499 30.300 0.050 0.000 1.114 241 R HN 0.293 nan 8.270 nan 0.000 0.547 242 S N -0.566 115.156 115.700 0.038 0.000 2.592 242 S HA 0.452 4.922 4.470 0.000 0.000 0.271 242 S C 1.016 175.628 174.600 0.020 0.000 1.326 242 S CA 0.034 58.249 58.200 0.027 0.000 1.024 242 S CB 1.556 64.758 63.200 0.004 0.000 0.921 242 S HN 0.571 nan 8.310 nan 0.000 0.527 243 G N 0.685 109.501 108.800 0.026 0.000 3.782 243 G HA2 0.270 4.230 3.960 0.000 0.000 0.288 243 G HA3 0.270 4.230 3.960 0.000 0.000 0.288 243 G C 0.450 175.373 174.900 0.038 0.000 1.300 243 G CA -0.689 44.426 45.100 0.025 0.000 1.261 243 G HN 0.775 nan 8.290 nan 0.000 0.591 244 R N 0.399 120.923 120.500 0.040 0.000 2.642 244 R HA 0.404 4.745 4.340 0.000 0.000 0.435 244 R C 1.096 177.433 176.300 0.062 0.000 1.046 244 R CA 0.432 56.570 56.100 0.063 0.000 1.103 244 R CB -0.123 30.222 30.300 0.075 0.000 1.425 244 R HN 0.516 nan 8.270 nan 0.000 0.586 245 G N 1.289 110.101 108.800 0.020 0.000 2.601 245 G HA2 -0.294 3.667 3.960 0.000 0.000 0.252 245 G HA3 -0.294 3.667 3.960 0.000 0.000 0.252 245 G C -1.857 173.030 174.900 -0.021 0.000 1.294 245 G CA -0.207 44.886 45.100 -0.012 0.000 0.912 245 G HN 0.162 nan 8.290 nan 0.000 0.574 246 P HA -0.032 nan 4.420 nan 0.000 0.216 246 P C 1.776 179.168 177.300 0.153 0.000 1.150 246 P CA 1.917 65.013 63.100 -0.008 0.000 0.837 246 P CB -0.089 31.654 31.700 0.070 0.000 0.786 247 F N 0.626 120.604 119.950 0.047 0.000 2.146 247 F HA -0.043 4.485 4.527 0.001 0.000 0.298 247 F C 2.272 178.050 175.800 -0.037 0.000 1.096 247 F CA 1.987 60.003 58.000 0.027 0.000 1.275 247 F CB -0.918 38.087 39.000 0.008 0.000 1.008 247 F HN -0.130 nan 8.300 nan 0.000 0.480 248 G N -0.357 108.513 108.800 0.117 0.000 2.402 248 G HA2 -0.250 3.710 3.960 0.000 0.000 0.216 248 G HA3 -0.250 3.710 3.960 0.000 0.000 0.216 248 G C 1.308 176.134 174.900 -0.124 0.000 1.162 248 G CA 0.999 46.093 45.100 -0.010 0.000 0.777 248 G HN 0.296 nan 8.290 nan 0.000 0.539 249 D N 0.426 120.787 120.400 -0.065 0.000 2.123 249 D HA -0.125 4.515 4.640 0.000 0.000 0.196 249 D C 2.668 178.852 176.300 -0.193 0.000 0.992 249 D CA 1.468 55.451 54.000 -0.029 0.000 0.833 249 D CB -0.401 40.451 40.800 0.087 0.000 0.954 249 D HN 0.323 nan 8.370 nan 0.000 0.455 250 S N -0.448 115.090 115.700 -0.271 0.000 2.423 250 S HA -0.091 4.379 4.470 0.000 0.000 0.231 250 S C 1.725 175.785 174.600 -0.900 0.000 1.014 250 S CA 0.316 58.122 58.200 -0.657 0.000 0.965 250 S CB -0.087 62.892 63.200 -0.369 0.000 0.785 250 S HN 0.136 nan 8.310 nan 0.000 0.495 251 L N 1.201 122.040 121.223 -0.640 0.000 2.162 251 L HA 0.335 4.675 4.340 0.000 0.000 0.205 251 L C 2.280 178.873 176.870 -0.461 0.000 1.086 251 L CA 1.775 56.295 54.840 -0.533 0.000 0.778 251 L CB -0.792 41.021 42.059 -0.409 0.000 0.928 251 L HN 0.430 nan 8.230 nan 0.000 0.446 252 M N -0.693 118.651 119.600 -0.426 0.000 2.117 252 M HA -0.246 4.234 4.480 0.000 0.000 0.262 252 M C 2.182 178.005 176.300 -0.797 0.000 1.065 252 M CA 2.101 57.153 55.300 -0.413 0.000 1.114 252 M CB -0.131 32.339 32.600 -0.218 0.000 1.361 252 M HN 0.461 nan 8.290 nan 0.000 0.408 253 E N 0.258 119.809 120.200 -1.082 0.000 2.106 253 E HA -0.215 4.135 4.350 0.000 0.000 0.192 253 E C 2.044 178.225 176.600 -0.697 0.000 0.984 253 E CA 0.992 56.581 56.400 -1.351 0.000 0.806 253 E CB -0.208 28.923 29.700 -0.949 0.000 0.750 253 E HN 0.636 nan 8.360 nan 0.000 0.458 254 L N 0.788 121.662 121.223 -0.582 0.000 2.017 254 L HA -0.209 4.132 4.340 0.000 0.000 0.208 254 L C 2.155 178.927 176.870 -0.164 0.000 1.073 254 L CA 2.264 56.973 54.840 -0.218 0.000 0.745 254 L CB -0.325 41.627 42.059 -0.178 0.000 0.894 254 L HN 0.248 nan 8.230 nan 0.000 0.432 255 D N -0.538 119.702 120.400 -0.266 0.000 2.117 255 D HA -0.184 4.456 4.640 0.000 0.000 0.197 255 D C 2.094 178.292 176.300 -0.170 0.000 0.987 255 D CA 1.325 55.191 54.000 -0.223 0.000 0.829 255 D CB 0.143 40.804 40.800 -0.231 0.000 0.961 255 D HN 0.401 nan 8.370 nan 0.000 0.460 256 A N 0.352 123.037 122.820 -0.225 0.000 1.930 256 A HA 0.086 4.406 4.320 0.000 0.000 0.217 256 A C 2.349 179.915 177.584 -0.031 0.000 1.175 256 A CA 1.781 53.761 52.037 -0.094 0.000 0.627 256 A CB -0.967 17.993 19.000 -0.066 0.000 0.815 256 A HN 0.328 nan 8.150 nan 0.000 0.443 257 A N -0.509 122.286 122.820 -0.041 0.000 1.933 257 A HA -0.015 4.305 4.320 0.000 0.000 0.218 257 A C 2.209 179.816 177.584 0.039 0.000 1.175 257 A CA 1.804 53.861 52.037 0.033 0.000 0.628 257 A CB -0.838 18.241 19.000 0.132 0.000 0.814 257 A HN 0.369 nan 8.150 nan 0.000 0.444 258 V N -0.171 119.762 119.914 0.031 0.000 2.358 258 V HA -0.156 3.964 4.120 0.000 0.000 0.246 258 V C 2.819 178.902 176.094 -0.019 0.000 1.047 258 V CA 1.862 64.173 62.300 0.018 0.000 1.035 258 V CB -1.384 30.402 31.823 -0.061 0.000 0.658 258 V HN 0.612 nan 8.190 nan 0.000 0.452 259 G N -0.483 108.297 108.800 -0.034 0.000 2.442 259 G HA2 -0.253 3.707 3.960 0.000 0.000 0.219 259 G HA3 -0.253 3.707 3.960 0.000 0.000 0.219 259 G C 1.676 176.579 174.900 0.005 0.000 1.141 259 G CA 1.638 46.724 45.100 -0.024 0.000 0.763 259 G HN 0.482 nan 8.290 nan 0.000 0.554 260 T N 1.188 115.752 114.554 0.016 0.000 2.812 260 T HA -0.031 4.319 4.350 0.000 0.000 0.264 260 T C 2.303 177.019 174.700 0.027 0.000 1.042 260 T CA 0.689 62.804 62.100 0.024 0.000 1.140 260 T CB -0.142 68.740 68.868 0.023 0.000 0.870 260 T HN 0.032 nan 8.240 nan 0.000 0.445 261 L N 0.855 122.090 121.223 0.020 0.000 2.046 261 L HA 0.027 4.367 4.340 0.000 0.000 0.208 261 L C 2.325 179.228 176.870 0.055 0.000 1.077 261 L CA 1.553 56.413 54.840 0.034 0.000 0.747 261 L CB -1.034 41.053 42.059 0.047 0.000 0.896 261 L HN 0.247 nan 8.230 nan 0.000 0.432 262 M N -1.512 118.110 119.600 0.037 0.000 2.229 262 M HA -0.089 4.392 4.480 0.000 0.000 0.264 262 M C 2.193 178.530 176.300 0.061 0.000 1.063 262 M CA 1.286 56.610 55.300 0.040 0.000 1.114 262 M CB -1.587 30.997 32.600 -0.026 0.000 1.387 262 M HN 0.187 nan 8.290 nan 0.000 0.420 263 T N 1.013 115.598 114.554 0.050 0.000 2.698 263 T HA -0.012 4.338 4.350 0.000 0.000 0.260 263 T C 1.906 176.651 174.700 0.076 0.000 1.044 263 T CA 1.666 63.801 62.100 0.057 0.000 1.149 263 T CB -0.343 68.551 68.868 0.043 0.000 0.864 263 T HN 0.446 nan 8.240 nan 0.000 0.419 264 A N 1.065 123.938 122.820 0.087 0.000 1.927 264 A HA -0.147 4.173 4.320 0.000 0.000 0.220 264 A C 2.241 179.874 177.584 0.082 0.000 1.185 264 A CA 1.686 53.792 52.037 0.115 0.000 0.639 264 A CB -0.938 18.142 19.000 0.133 0.000 0.820 264 A HN 0.562 nan 8.150 nan 0.000 0.451 265 I N -0.765 119.862 120.570 0.096 0.000 2.439 265 I HA -0.113 4.057 4.170 0.000 0.000 0.251 265 I C 2.615 178.809 176.117 0.128 0.000 1.139 265 I CA 0.820 62.200 61.300 0.133 0.000 1.438 265 I CB -0.487 37.624 38.000 0.186 0.000 1.085 265 I HN 0.392 nan 8.210 nan 0.000 0.427 266 G N 0.750 109.618 108.800 0.114 0.000 2.524 266 G HA2 -0.262 3.699 3.960 0.000 0.000 0.215 266 G HA3 -0.262 3.699 3.960 0.000 0.000 0.215 266 G C 1.216 176.169 174.900 0.089 0.000 1.239 266 G CA 1.023 46.186 45.100 0.105 0.000 0.798 266 G HN 0.258 nan 8.290 nan 0.000 0.557 267 D N 0.638 121.086 120.400 0.080 0.000 2.244 267 D HA -0.132 4.508 4.640 0.000 0.000 0.197 267 D C 2.145 178.487 176.300 0.070 0.000 1.006 267 D CA 0.847 54.891 54.000 0.074 0.000 0.888 267 D CB -0.258 40.593 40.800 0.084 0.000 0.912 267 D HN 0.366 nan 8.370 nan 0.000 0.452 268 L N -1.009 120.256 121.223 0.070 0.000 2.741 268 L HA 0.309 4.650 4.340 0.000 0.000 0.237 268 L C 1.198 178.112 176.870 0.073 0.000 1.178 268 L CA 0.032 54.907 54.840 0.058 0.000 0.973 268 L CB -0.277 41.804 42.059 0.036 0.000 1.255 268 L HN -0.010 nan 8.230 nan 0.000 0.498 269 G N 1.416 110.265 108.800 0.081 0.000 2.305 269 G HA2 -0.277 3.683 3.960 0.000 0.000 0.287 269 G HA3 -0.277 3.683 3.960 0.000 0.000 0.287 269 G C 0.499 175.463 174.900 0.108 0.000 1.036 269 G CA 0.284 45.436 45.100 0.087 0.000 0.887 269 G HN 0.435 nan 8.290 nan 0.000 0.505 270 L N -0.814 120.488 121.223 0.133 0.000 2.857 270 L HA 0.320 4.661 4.340 0.000 0.000 0.249 270 L C 2.537 179.517 176.870 0.184 0.000 1.172 270 L CA -0.422 54.513 54.840 0.159 0.000 0.980 270 L CB -0.113 42.064 42.059 0.196 0.000 1.299 270 L HN 0.287 nan 8.230 nan 0.000 0.535 271 L N 0.329 121.663 121.223 0.185 0.000 1.944 271 L HA -0.226 4.114 4.340 0.000 0.000 0.218 271 L C 2.156 179.181 176.870 0.258 0.000 1.075 271 L CA 1.764 56.740 54.840 0.227 0.000 0.767 271 L CB -0.317 41.869 42.059 0.213 0.000 0.890 271 L HN 0.375 nan 8.230 nan 0.000 0.434 272 E N -0.568 119.767 120.200 0.225 0.000 2.510 272 E HA -0.137 4.213 4.350 0.000 0.000 0.202 272 E C 1.109 177.930 176.600 0.370 0.000 1.072 272 E CA 0.651 57.216 56.400 0.274 0.000 0.883 272 E CB 0.021 29.835 29.700 0.190 0.000 0.818 272 E HN 0.416 nan 8.360 nan 0.000 0.548 273 E N 0.070 120.445 120.200 0.292 0.000 2.526 273 E HA 0.065 4.415 4.350 0.000 0.000 0.208 273 E C -0.176 176.467 176.600 0.072 0.000 0.997 273 E CA 0.050 56.602 56.400 0.253 0.000 0.961 273 E CB 1.262 31.049 29.700 0.145 0.000 1.030 273 E HN 0.138 nan 8.360 nan 0.000 0.483 274 T N 1.919 116.499 114.554 0.043 0.000 2.772 274 T HA 0.444 4.794 4.350 0.000 0.000 0.288 274 T C -0.508 173.959 174.700 -0.389 0.000 0.994 274 T CA -0.517 61.480 62.100 -0.171 0.000 0.951 274 T CB 1.117 70.010 68.868 0.041 0.000 0.933 274 T HN 0.128 nan 8.240 nan 0.000 0.447 275 L N 5.679 126.452 121.223 -0.749 0.000 2.313 275 L HA 0.506 4.847 4.340 0.000 0.000 0.282 275 L C -0.767 176.024 176.870 -0.132 0.000 1.092 275 L CA 0.013 54.462 54.840 -0.652 0.000 0.831 275 L CB 0.314 41.911 42.059 -0.769 0.000 1.159 275 L HN 0.416 nan 8.230 nan 0.000 0.442 276 V N 7.433 127.405 119.914 0.098 0.000 2.357 276 V HA 0.447 4.568 4.120 0.000 0.000 0.284 276 V C 0.180 176.398 176.094 0.207 0.000 1.018 276 V CA -0.391 62.019 62.300 0.184 0.000 0.841 276 V CB 1.310 33.283 31.823 0.250 0.000 0.991 276 V HN 0.637 nan 8.190 nan 0.000 0.437 277 I N 5.234 125.908 120.570 0.173 0.000 2.441 277 I HA 0.503 4.673 4.170 0.000 0.000 0.295 277 I C -0.891 175.351 176.117 0.208 0.000 0.994 277 I CA -0.482 60.914 61.300 0.160 0.000 1.144 277 I CB 1.781 39.830 38.000 0.083 0.000 1.314 277 I HN 0.567 nan 8.210 nan 0.000 0.445 278 F N 5.914 125.881 119.950 0.030 0.000 2.507 278 F HA 0.665 5.192 4.527 0.000 0.000 0.328 278 F C -0.368 175.404 175.800 -0.046 0.000 1.136 278 F CA 0.040 58.055 58.000 0.024 0.000 0.930 278 F CB 1.341 40.356 39.000 0.025 0.000 1.166 278 F HN 0.563 nan 8.300 nan 0.000 0.436 279 T N 2.548 116.686 114.554 -0.694 0.000 2.590 279 T HA 0.946 5.297 4.350 0.000 0.000 0.282 279 T C -1.087 173.200 174.700 -0.690 0.000 0.989 279 T CA -0.755 60.978 62.100 -0.612 0.000 1.091 279 T CB 1.150 69.894 68.868 -0.207 0.000 1.460 279 T HN 0.825 nan 8.240 nan 0.000 0.499 280 A N 0.596 123.180 122.820 -0.393 0.000 2.606 280 A HA 0.653 4.973 4.320 0.000 0.000 0.293 280 A C 0.171 177.344 177.584 -0.685 0.000 1.082 280 A CA -0.366 51.308 52.037 -0.605 0.000 0.685 280 A CB 1.223 19.997 19.000 -0.378 0.000 1.284 280 A HN 0.816 nan 8.150 nan 0.000 0.408 281 D N 0.537 120.354 120.400 -0.971 0.000 2.194 281 D HA -0.034 4.607 4.640 0.000 0.000 0.204 281 D C 0.311 176.540 176.300 -0.118 0.000 0.964 281 D CA 1.505 55.158 54.000 -0.579 0.000 0.846 281 D CB -0.110 40.419 40.800 -0.451 0.000 0.962 281 D HN 0.711 nan 8.370 nan 0.000 0.490 282 N N -1.465 117.175 118.700 -0.100 0.000 3.046 282 N HA 0.273 5.014 4.740 0.000 0.000 0.243 282 N C 0.060 175.569 175.510 -0.001 0.000 1.452 282 N CA -0.572 52.474 53.050 -0.008 0.000 0.882 282 N CB 1.038 39.525 38.487 -0.000 0.000 1.425 282 N HN 0.027 nan 8.380 nan 0.000 0.517 283 G N -0.089 108.730 108.800 0.031 0.000 2.683 283 G HA2 0.343 4.303 3.960 0.000 0.000 0.260 283 G HA3 0.343 4.303 3.960 0.000 0.000 0.260 283 G C -2.395 172.525 174.900 0.034 0.000 1.238 283 G CA -0.724 44.401 45.100 0.042 0.000 0.934 283 G HN 0.522 nan 8.290 nan 0.000 0.534 284 P HA 0.116 nan 4.420 nan 0.000 0.271 284 P C -0.605 176.711 177.300 0.026 0.000 1.218 284 P CA -0.051 63.067 63.100 0.031 0.000 0.780 284 P CB 1.050 32.752 31.700 0.003 0.000 0.901 285 E N 1.208 121.421 120.200 0.021 0.000 1.936 285 E HA 0.110 4.460 4.350 0.000 0.000 0.267 285 E C 0.879 177.486 176.600 0.011 0.000 1.076 285 E CA -0.213 56.208 56.400 0.035 0.000 0.870 285 E CB -0.021 29.688 29.700 0.015 0.000 1.093 285 E HN 0.401 nan 8.360 nan 0.000 0.411 286 T N 1.793 116.355 114.554 0.012 0.000 3.085 286 T HA -0.124 4.227 4.350 0.000 0.000 0.263 286 T C 1.644 176.330 174.700 -0.023 0.000 1.127 286 T CA 0.084 62.174 62.100 -0.017 0.000 1.103 286 T CB 0.063 68.927 68.868 -0.006 0.000 0.921 286 T HN 0.420 nan 8.240 nan 0.000 0.510 287 M N 1.069 120.659 119.600 -0.016 0.000 2.446 287 M HA 0.004 4.484 4.480 0.000 0.000 0.263 287 M C 1.280 177.545 176.300 -0.058 0.000 1.066 287 M CA 1.163 56.434 55.300 -0.048 0.000 1.087 287 M CB -0.492 32.078 32.600 -0.051 0.000 1.406 287 M HN 0.124 nan 8.290 nan 0.000 0.459 288 R N 0.256 120.732 120.500 -0.041 0.000 2.313 288 R HA 0.159 4.499 4.340 0.000 0.000 0.199 288 R C 1.063 177.360 176.300 -0.006 0.000 0.958 288 R CA 0.125 56.212 56.100 -0.022 0.000 1.047 288 R CB -0.598 29.725 30.300 0.039 0.000 0.955 288 R HN 0.561 nan 8.270 nan 0.000 0.481 289 M N -0.814 118.767 119.600 -0.031 0.000 7.319 289 M HA -0.376 4.104 4.480 0.000 0.000 0.313 289 M C 1.382 177.656 176.300 -0.044 0.000 0.480 289 M CA 2.242 57.522 55.300 -0.034 0.000 1.311 289 M CB -1.459 31.129 32.600 -0.020 0.000 0.421 289 M HN 0.261 nan 8.290 nan 0.000 0.747 290 S N 0.829 116.516 115.700 -0.020 0.000 2.607 290 S HA 0.091 4.562 4.470 0.000 0.000 0.224 290 S C 1.062 175.666 174.600 0.006 0.000 0.969 290 S CA 1.006 59.192 58.200 -0.023 0.000 0.927 290 S CB -0.325 62.877 63.200 0.003 0.000 0.772 290 S HN 0.533 nan 8.310 nan 0.000 0.533 291 R N 0.573 121.105 120.500 0.052 0.000 2.507 291 R HA 0.368 4.708 4.340 0.000 0.000 0.298 291 R C 0.801 177.225 176.300 0.206 0.000 0.999 291 R CA 0.122 56.330 56.100 0.180 0.000 1.082 291 R CB 0.786 31.221 30.300 0.224 0.000 1.246 291 R HN 0.455 nan 8.270 nan 0.000 0.553 292 G N -1.008 107.746 108.800 -0.077 0.000 2.816 292 G HA2 0.561 4.521 3.960 0.000 0.000 0.288 292 G HA3 0.561 4.521 3.960 0.000 0.000 0.288 292 G C -0.334 174.078 174.900 -0.814 0.000 1.334 292 G CA -0.588 44.404 45.100 -0.179 0.000 0.978 292 G HN 0.124 nan 8.290 nan 0.000 0.493 293 G N -2.099 106.328 108.800 -0.623 0.000 2.509 293 G HA2 0.455 4.415 3.960 0.000 0.000 0.269 293 G HA3 0.455 4.415 3.960 0.000 0.000 0.269 293 G C -0.779 173.941 174.900 -0.300 0.000 1.416 293 G CA -0.070 44.589 45.100 -0.734 0.000 1.052 293 G HN 1.197 nan 8.290 nan 0.000 0.542 294 C N -0.396 118.829 119.300 -0.124 0.000 2.535 294 C HA 0.625 5.085 4.460 0.000 0.000 0.319 294 C C 1.267 176.298 174.990 0.067 0.000 1.171 294 C CA -0.018 58.996 59.018 -0.007 0.000 1.394 294 C CB 0.861 28.658 27.740 0.095 0.000 1.990 294 C HN 0.888 nan 8.230 nan 0.000 0.466 295 S N 4.190 119.928 115.700 0.063 0.000 2.605 295 S HA 0.464 4.934 4.470 0.000 0.000 0.217 295 S C 1.173 175.858 174.600 0.140 0.000 0.958 295 S CA 0.962 59.221 58.200 0.097 0.000 0.919 295 S CB -0.358 62.864 63.200 0.036 0.000 0.780 295 S HN 2.454 nan 8.310 nan 0.000 0.507 296 G N 3.187 112.070 108.800 0.138 0.000 2.583 296 G HA2 -0.379 3.582 3.960 0.000 0.000 0.292 296 G HA3 -0.379 3.582 3.960 0.000 0.000 0.292 296 G C 0.716 175.664 174.900 0.079 0.000 1.203 296 G CA 0.347 45.539 45.100 0.153 0.000 0.987 296 G HN 1.199 nan 8.290 nan 0.000 0.554 297 L N -0.222 121.050 121.223 0.082 0.000 2.552 297 L HA 0.499 4.840 4.340 0.000 0.000 0.227 297 L C 1.359 178.196 176.870 -0.055 0.000 1.146 297 L CA 0.169 55.015 54.840 0.009 0.000 0.858 297 L CB -0.479 41.591 42.059 0.017 0.000 0.969 297 L HN 0.396 nan 8.230 nan 0.000 0.451 298 L N 0.891 122.071 121.223 -0.071 0.000 2.456 298 L HA 0.331 4.671 4.340 0.000 0.000 0.257 298 L C 0.549 177.350 176.870 -0.115 0.000 1.162 298 L CA -0.441 54.320 54.840 -0.132 0.000 0.808 298 L CB 0.593 42.537 42.059 -0.191 0.000 1.136 298 L HN 0.122 nan 8.230 nan 0.000 0.466 299 R N 0.153 120.566 120.500 -0.145 0.000 2.312 299 R HA 0.411 4.751 4.340 0.000 0.000 0.311 299 R C -0.408 175.805 176.300 -0.145 0.000 1.004 299 R CA -0.212 55.766 56.100 -0.203 0.000 0.902 299 R CB 0.754 30.853 30.300 -0.334 0.000 1.073 299 R HN 0.860 nan 8.270 nan 0.000 0.457 300 c N 0.746 119.256 118.600 -0.150 0.000 0.168 300 c HA -0.147 4.423 4.570 0.000 0.000 0.017 300 c C 1.024 175.130 174.090 0.026 0.000 0.171 300 c CA -0.021 56.278 56.329 -0.050 0.000 0.499 300 c CB -1.581 40.925 42.510 -0.006 0.000 3.212 300 c HN 1.071 nan 8.230 nan 0.000 1.118 301 G N -0.574 108.275 108.800 0.082 0.000 2.694 301 G HA2 0.541 4.501 3.960 0.000 0.000 0.246 301 G HA3 0.541 4.501 3.960 0.000 0.000 0.246 301 G C -1.039 173.922 174.900 0.102 0.000 1.205 301 G CA 0.152 45.298 45.100 0.077 0.000 0.891 301 G HN 1.085 nan 8.290 nan 0.000 0.515 302 K N 0.256 120.705 120.400 0.082 0.000 2.561 302 K HA 0.329 4.649 4.320 0.000 0.000 0.280 302 K C 1.298 177.970 176.600 0.120 0.000 0.975 302 K CA 1.696 58.020 56.287 0.063 0.000 1.024 302 K CB -0.042 32.471 32.500 0.023 0.000 0.883 302 K HN 1.821 nan 8.250 nan 0.000 0.496 303 G N 2.026 110.877 108.800 0.085 0.000 2.199 303 G HA2 -0.290 3.670 3.960 0.000 0.000 0.254 303 G HA3 -0.290 3.670 3.960 0.000 0.000 0.254 303 G C 0.141 175.146 174.900 0.175 0.000 0.982 303 G CA 0.642 45.836 45.100 0.156 0.000 0.632 303 G HN 0.917 nan 8.290 nan 0.000 0.529 304 T N -2.712 111.943 114.554 0.167 0.000 2.949 304 T HA 0.639 4.990 4.350 0.000 0.000 0.287 304 T C 1.146 175.911 174.700 0.108 0.000 1.034 304 T CA 0.807 63.012 62.100 0.175 0.000 1.018 304 T CB 1.678 70.721 68.868 0.292 0.000 1.135 304 T HN 0.876 nan 8.240 nan 0.000 0.532 305 T N -1.698 112.883 114.554 0.045 0.000 3.163 305 T HA 0.255 4.605 4.350 0.000 0.000 0.252 305 T C 0.018 174.632 174.700 -0.143 0.000 1.056 305 T CA -0.437 61.639 62.100 -0.040 0.000 0.947 305 T CB -0.936 67.983 68.868 0.085 0.000 1.016 305 T HN 0.568 nan 8.240 nan 0.000 0.554 306 Y N 2.127 122.474 120.300 0.078 0.000 2.385 306 Y HA 0.237 4.787 4.550 -0.000 0.000 0.346 306 Y C 1.861 177.720 175.900 -0.068 0.000 1.270 306 Y CA -0.720 57.405 58.100 0.041 0.000 1.472 306 Y CB 0.553 39.001 38.460 -0.019 0.000 1.354 306 Y HN 0.006 nan 8.280 nan 0.000 0.611 307 E N 1.224 121.477 120.200 0.089 0.000 2.160 307 E HA -0.155 4.196 4.350 0.000 0.000 0.195 307 E C 2.198 178.778 176.600 -0.033 0.000 0.991 307 E CA 1.209 57.599 56.400 -0.017 0.000 0.810 307 E CB -0.497 29.165 29.700 -0.064 0.000 0.742 307 E HN 1.016 nan 8.360 nan 0.000 0.466 308 G N 0.606 109.405 108.800 -0.001 0.000 2.470 308 G HA2 -0.181 3.779 3.960 0.000 0.000 0.220 308 G HA3 -0.181 3.779 3.960 0.000 0.000 0.220 308 G C 1.555 176.481 174.900 0.043 0.000 1.121 308 G CA 0.892 45.995 45.100 0.005 0.000 0.766 308 G HN 0.394 nan 8.290 nan 0.000 0.553 309 G N -0.077 108.763 108.800 0.068 0.000 2.539 309 G HA2 0.115 4.075 3.960 0.000 0.000 0.215 309 G HA3 0.115 4.075 3.960 0.000 0.000 0.215 309 G C 1.517 176.460 174.900 0.070 0.000 1.141 309 G CA 1.358 46.502 45.100 0.073 0.000 0.806 309 G HN 0.752 nan 8.290 nan 0.000 0.533 310 V N -3.199 116.752 119.914 0.061 0.000 3.556 310 V HA 0.481 4.602 4.120 0.000 0.000 0.287 310 V C 0.720 176.919 176.094 0.175 0.000 1.422 310 V CA -0.362 62.025 62.300 0.146 0.000 1.038 310 V CB 0.018 31.918 31.823 0.129 0.000 0.850 310 V HN 0.095 nan 8.190 nan 0.000 0.437 311 R N 1.888 122.401 120.500 0.021 0.000 2.215 311 R HA 0.452 4.792 4.340 0.000 0.000 0.336 311 R C -0.677 175.665 176.300 0.070 0.000 0.996 311 R CA -0.197 55.795 56.100 -0.180 0.000 0.847 311 R CB 0.774 30.829 30.300 -0.410 0.000 1.127 311 R HN 0.446 nan 8.270 nan 0.000 0.465 312 E N 4.493 124.800 120.200 0.178 0.000 2.264 312 E HA 0.428 4.778 4.350 0.000 0.000 0.260 312 E C -2.452 174.227 176.600 0.132 0.000 0.961 312 E CA -2.294 54.221 56.400 0.191 0.000 0.834 312 E CB 1.554 31.380 29.700 0.209 0.000 1.230 312 E HN 0.481 nan 8.360 nan 0.000 0.412 313 P HA 0.251 nan 4.420 nan 0.000 0.271 313 P C -1.254 175.984 177.300 -0.104 0.000 1.216 313 P CA -0.140 62.709 63.100 -0.419 0.000 0.776 313 P CB 0.711 32.071 31.700 -0.567 0.000 0.881 314 A N 3.485 126.351 122.820 0.077 0.000 2.488 314 A HA 0.695 5.015 4.320 0.000 0.000 0.295 314 A C -1.361 176.343 177.584 0.201 0.000 1.045 314 A CA -0.587 51.354 52.037 -0.159 0.000 0.703 314 A CB 0.957 19.383 19.000 -0.958 0.000 1.271 314 A HN 0.427 nan 8.150 nan 0.000 0.400 315 L N 1.204 122.553 121.223 0.210 0.000 2.401 315 L HA 0.884 5.224 4.340 0.000 0.000 0.266 315 L C 0.021 177.075 176.870 0.307 0.000 0.991 315 L CA -0.785 54.258 54.840 0.339 0.000 0.818 315 L CB 2.406 44.650 42.059 0.308 0.000 1.321 315 L HN 0.915 nan 8.230 nan 0.000 0.413 316 A N 2.516 125.571 122.820 0.391 0.000 2.359 316 A HA 0.808 5.128 4.320 0.000 0.000 0.303 316 A C -1.647 176.189 177.584 0.420 0.000 1.066 316 A CA -0.313 51.946 52.037 0.369 0.000 0.730 316 A CB 1.284 20.533 19.000 0.416 0.000 1.211 316 A HN 0.540 nan 8.150 nan 0.000 0.439 317 F N 3.059 123.135 119.950 0.209 0.000 2.557 317 F HA 0.724 5.252 4.527 0.000 0.000 0.316 317 F C -1.937 174.034 175.800 0.284 0.000 1.141 317 F CA -0.943 57.190 58.000 0.221 0.000 0.922 317 F CB 1.705 40.807 39.000 0.169 0.000 1.194 317 F HN 0.601 nan 8.300 nan 0.000 0.443 318 W N 10.385 131.502 121.300 -0.304 0.000 1.896 318 W HA 0.386 5.047 4.660 0.000 0.000 0.302 318 W C -3.013 173.357 176.519 -0.248 0.000 1.016 318 W CA -2.737 54.495 57.345 -0.189 0.000 1.200 318 W CB 0.489 29.917 29.460 -0.053 0.000 1.226 318 W HN 0.349 nan 8.180 nan 0.000 0.308 319 P HA 0.234 nan 4.420 nan 0.000 0.265 319 P C 1.011 178.275 177.300 -0.060 0.000 1.193 319 P CA 2.224 65.196 63.100 -0.213 0.000 0.765 319 P CB 0.864 32.439 31.700 -0.209 0.000 0.823 320 G N 2.222 110.936 108.800 -0.144 0.000 2.234 320 G HA2 -0.310 3.650 3.960 0.000 0.000 0.260 320 G HA3 -0.310 3.650 3.960 0.000 0.000 0.260 320 G C 0.765 175.364 174.900 -0.503 0.000 0.987 320 G CA 0.669 45.618 45.100 -0.251 0.000 0.625 320 G HN 0.619 nan 8.290 nan 0.000 0.532 321 H N -0.634 118.113 119.070 -0.538 0.000 2.481 321 H HA 0.502 5.058 4.556 0.000 0.000 0.291 321 H C 1.158 176.302 175.328 -0.306 0.000 1.009 321 H CA 0.546 56.212 56.048 -0.638 0.000 1.282 321 H CB 0.491 29.340 29.762 -1.522 0.000 1.457 321 H HN 0.404 nan 8.280 nan 0.000 0.525 322 I N 1.671 122.224 120.570 -0.028 0.000 2.330 322 I HA 0.415 4.586 4.170 0.000 0.000 0.289 322 I C -0.105 175.997 176.117 -0.025 0.000 1.001 322 I CA -0.896 60.428 61.300 0.041 0.000 1.193 322 I CB 1.327 39.425 38.000 0.163 0.000 1.345 322 I HN 0.179 nan 8.210 nan 0.000 0.461 323 A N 8.408 131.207 122.820 -0.035 0.000 2.322 323 A HA 0.638 4.958 4.320 0.000 0.000 0.269 323 A C -2.365 175.206 177.584 -0.022 0.000 1.094 323 A CA -1.359 50.651 52.037 -0.045 0.000 0.807 323 A CB -0.218 18.753 19.000 -0.049 0.000 1.047 323 A HN 0.418 nan 8.150 nan 0.000 0.487 324 P HA 0.385 nan 4.420 nan 0.000 0.264 324 P C 0.463 177.753 177.300 -0.017 0.000 1.183 324 P CA 1.038 64.142 63.100 0.007 0.000 0.763 324 P CB 0.671 32.379 31.700 0.013 0.000 0.807 325 G N 0.335 109.120 108.800 -0.025 0.000 2.325 325 G HA2 0.381 4.342 3.960 0.000 0.000 0.295 325 G HA3 0.381 4.342 3.960 0.000 0.000 0.295 325 G C -2.006 172.836 174.900 -0.096 0.000 1.274 325 G CA -0.505 44.557 45.100 -0.063 0.000 0.857 325 G HN 0.364 nan 8.290 nan 0.000 0.499 326 V N 1.133 120.958 119.914 -0.149 0.000 2.444 326 V HA 0.699 4.819 4.120 0.000 0.000 0.294 326 V C -0.028 175.873 176.094 -0.322 0.000 1.022 326 V CA -0.377 61.799 62.300 -0.206 0.000 0.850 326 V CB 1.416 33.124 31.823 -0.191 0.000 0.992 326 V HN 1.029 nan 8.190 nan 0.000 0.426 327 T N 1.652 115.990 114.554 -0.361 0.000 2.940 327 T HA 0.518 4.868 4.350 0.000 0.000 0.288 327 T C 0.308 174.863 174.700 -0.241 0.000 1.033 327 T CA -0.500 61.383 62.100 -0.361 0.000 1.033 327 T CB 1.729 70.378 68.868 -0.365 0.000 1.079 327 T HN 0.715 nan 8.240 nan 0.000 0.496 328 H N -1.231 117.855 119.070 0.026 0.000 2.755 328 H HA 0.269 4.826 4.556 0.001 0.000 0.273 328 H C 0.464 175.865 175.328 0.122 0.000 1.055 328 H CA -0.398 55.706 56.048 0.093 0.000 1.191 328 H CB 0.771 30.574 29.762 0.070 0.000 1.536 328 H HN 0.539 nan 8.280 nan 0.000 0.529 329 E N 1.523 121.832 120.200 0.182 0.000 2.392 329 E HA 0.124 4.474 4.350 0.000 0.000 0.259 329 E C -0.281 176.491 176.600 0.286 0.000 1.108 329 E CA -0.362 56.154 56.400 0.193 0.000 0.916 329 E CB 1.215 30.988 29.700 0.123 0.000 0.989 329 E HN 0.243 nan 8.360 nan 0.000 0.432 330 L N 1.480 122.845 121.223 0.236 0.000 2.416 330 L HA 0.368 4.709 4.340 0.000 0.000 0.272 330 L C 0.089 177.132 176.870 0.289 0.000 1.161 330 L CA -0.160 54.840 54.840 0.266 0.000 0.845 330 L CB 0.377 42.531 42.059 0.158 0.000 1.119 330 L HN 0.507 nan 8.230 nan 0.000 0.464 331 A N 2.673 125.691 122.820 0.330 0.000 2.574 331 A HA 0.713 5.034 4.320 0.000 0.000 0.297 331 A C -0.919 176.638 177.584 -0.046 0.000 1.062 331 A CA -0.429 51.770 52.037 0.270 0.000 0.686 331 A CB 2.193 21.507 19.000 0.523 0.000 1.285 331 A HN 0.543 nan 8.150 nan 0.000 0.403 332 S N -0.490 115.125 115.700 -0.143 0.000 2.599 332 S HA 0.581 5.051 4.470 0.000 0.000 0.287 332 S C 1.289 175.713 174.600 -0.294 0.000 1.105 332 S CA 0.314 58.270 58.200 -0.407 0.000 0.899 332 S CB 1.544 64.681 63.200 -0.105 0.000 1.100 332 S HN 1.806 nan 8.310 nan 0.000 0.482 333 S N 2.568 118.121 115.700 -0.245 0.000 2.419 333 S HA -0.084 4.387 4.470 0.000 0.000 0.233 333 S C 1.706 176.323 174.600 0.029 0.000 1.016 333 S CA 0.751 59.026 58.200 0.125 0.000 0.974 333 S CB -0.497 62.807 63.200 0.175 0.000 0.786 333 S HN 0.570 nan 8.310 nan 0.000 0.492 334 L N 2.447 123.657 121.223 -0.021 0.000 2.265 334 L HA 0.000 4.341 4.340 0.000 0.000 0.215 334 L C 1.378 178.235 176.870 -0.022 0.000 1.117 334 L CA 1.460 56.277 54.840 -0.038 0.000 0.782 334 L CB -1.031 41.002 42.059 -0.043 0.000 0.914 334 L HN 0.297 nan 8.230 nan 0.000 0.441 335 D N -1.632 118.791 120.400 0.039 0.000 2.349 335 D HA -0.052 4.588 4.640 0.000 0.000 0.215 335 D C 2.184 178.517 176.300 0.056 0.000 1.016 335 D CA 0.198 54.248 54.000 0.082 0.000 0.870 335 D CB 0.385 41.296 40.800 0.185 0.000 0.917 335 D HN 0.249 nan 8.370 nan 0.000 0.524 336 L N 1.005 122.247 121.223 0.031 0.000 1.994 336 L HA -0.155 4.185 4.340 0.000 0.000 0.208 336 L C 2.047 178.875 176.870 -0.070 0.000 1.071 336 L CA 1.143 55.980 54.840 -0.005 0.000 0.745 336 L CB -0.296 41.749 42.059 -0.024 0.000 0.892 336 L HN 0.014 nan 8.230 nan 0.000 0.431 337 L N 1.122 122.282 121.223 -0.105 0.000 1.956 337 L HA -0.120 4.220 4.340 0.000 0.000 0.216 337 L C -0.466 176.333 176.870 -0.118 0.000 1.073 337 L CA 2.599 57.351 54.840 -0.147 0.000 0.762 337 L CB -2.969 39.002 42.059 -0.147 0.000 0.889 337 L HN 0.234 nan 8.230 nan 0.000 0.433 338 P HA -0.109 nan 4.420 nan 0.000 0.218 338 P C 1.590 178.881 177.300 -0.014 0.000 1.148 338 P CA 1.805 64.876 63.100 -0.047 0.000 0.822 338 P CB -0.270 31.407 31.700 -0.038 0.000 0.784 339 T N 0.227 114.786 114.554 0.008 0.000 2.857 339 T HA -0.002 4.349 4.350 0.000 0.000 0.266 339 T C 1.936 176.629 174.700 -0.010 0.000 1.048 339 T CA 0.930 63.052 62.100 0.037 0.000 1.139 339 T CB -0.594 68.319 68.868 0.076 0.000 0.874 339 T HN 0.074 nan 8.240 nan 0.000 0.455 340 L N 0.634 121.810 121.223 -0.078 0.000 2.095 340 L HA 0.085 4.425 4.340 0.000 0.000 0.204 340 L C 3.097 179.870 176.870 -0.161 0.000 1.080 340 L CA 0.804 55.555 54.840 -0.149 0.000 0.759 340 L CB -0.762 41.145 42.059 -0.252 0.000 0.914 340 L HN 0.212 nan 8.230 nan 0.000 0.439 341 A N 0.749 123.476 122.820 -0.156 0.000 1.869 341 A HA -0.326 3.994 4.320 0.000 0.000 0.218 341 A C 2.552 180.103 177.584 -0.056 0.000 1.203 341 A CA 2.434 54.397 52.037 -0.124 0.000 0.638 341 A CB -0.999 17.941 19.000 -0.101 0.000 0.831 341 A HN 0.413 nan 8.150 nan 0.000 0.450 342 A N -1.128 121.679 122.820 -0.021 0.000 1.892 342 A HA -0.101 4.220 4.320 0.000 0.000 0.218 342 A C 2.043 179.650 177.584 0.038 0.000 1.188 342 A CA 1.939 53.987 52.037 0.019 0.000 0.631 342 A CB -0.630 18.395 19.000 0.043 0.000 0.822 342 A HN 0.454 nan 8.150 nan 0.000 0.447 343 L N -0.885 120.360 121.223 0.037 0.000 2.131 343 L HA -0.057 4.283 4.340 0.000 0.000 0.210 343 L C 2.617 179.529 176.870 0.070 0.000 1.092 343 L CA 1.795 56.680 54.840 0.074 0.000 0.759 343 L CB -1.008 41.072 42.059 0.036 0.000 0.903 343 L HN 0.431 nan 8.230 nan 0.000 0.435 344 A N -1.621 121.217 122.820 0.030 0.000 2.275 344 A HA 0.419 4.739 4.320 0.000 0.000 0.212 344 A C 1.581 179.210 177.584 0.076 0.000 1.201 344 A CA 0.538 52.627 52.037 0.087 0.000 0.843 344 A CB -0.544 18.478 19.000 0.038 0.000 0.873 344 A HN 0.472 nan 8.150 nan 0.000 0.492 345 G N -0.854 107.974 108.800 0.047 0.000 2.305 345 G HA2 0.075 4.035 3.960 0.000 0.000 0.287 345 G HA3 0.075 4.035 3.960 0.000 0.000 0.287 345 G C 0.316 175.230 174.900 0.023 0.000 1.036 345 G CA 0.607 45.730 45.100 0.038 0.000 0.887 345 G HN 1.529 nan 8.290 nan 0.000 0.505 346 A N -0.120 122.699 122.820 -0.002 0.000 2.306 346 A HA 0.964 5.284 4.320 0.000 0.000 0.330 346 A C -1.982 175.582 177.584 -0.033 0.000 1.146 346 A CA -1.454 50.569 52.037 -0.024 0.000 0.827 346 A CB 1.508 20.466 19.000 -0.070 0.000 1.178 346 A HN 0.229 nan 8.150 nan 0.000 0.490 347 P HA 0.518 nan 4.420 nan 0.000 0.290 347 P C -0.866 176.404 177.300 -0.049 0.000 1.275 347 P CA -0.518 62.563 63.100 -0.032 0.000 0.841 347 P CB 0.800 32.487 31.700 -0.023 0.000 1.042 348 L N 3.525 124.721 121.223 -0.045 0.000 2.397 348 L HA 0.303 4.643 4.340 0.000 0.000 0.271 348 L C -1.571 175.266 176.870 -0.055 0.000 1.148 348 L CA -1.696 53.110 54.840 -0.058 0.000 0.825 348 L CB -0.363 41.665 42.059 -0.051 0.000 1.117 348 L HN 0.291 nan 8.230 nan 0.000 0.456 349 P HA 0.013 nan 4.420 nan 0.000 0.270 349 P C -0.207 177.062 177.300 -0.051 0.000 1.221 349 P CA -0.076 62.989 63.100 -0.059 0.000 0.788 349 P CB 0.316 31.975 31.700 -0.069 0.000 0.904 350 N N 0.056 118.730 118.700 -0.043 0.000 3.301 350 N HA 0.483 5.223 4.740 0.000 0.000 0.289 350 N C -0.255 175.230 175.510 -0.041 0.000 1.343 350 N CA -0.349 52.678 53.050 -0.038 0.000 1.136 350 N CB -0.250 nan 38.487 nan 0.000 1.402 350 N HN 0.387 nan 8.380 nan 0.000 0.516 351 V N -2.895 116.989 119.914 -0.051 0.000 3.159 351 V HA 0.765 4.885 4.120 0.000 0.000 0.308 351 V C 0.450 176.504 176.094 -0.067 0.000 1.190 351 V CA -0.755 61.511 62.300 -0.056 0.000 1.037 351 V CB 1.194 32.980 31.823 -0.062 0.000 1.060 351 V HN 0.365 nan 8.190 nan 0.000 0.437 352 T N 2.285 116.797 114.554 -0.069 0.000 2.779 352 T HA 0.539 4.889 4.350 0.000 0.000 0.296 352 T C -0.430 174.207 174.700 -0.105 0.000 0.938 352 T CA -0.029 62.021 62.100 -0.083 0.000 1.119 352 T CB -0.396 68.426 68.868 -0.077 0.000 0.891 352 T HN 0.647 nan 8.240 nan 0.000 0.526 353 L N 3.995 125.142 121.223 -0.127 0.000 2.331 353 L HA 0.475 4.815 4.340 0.000 0.000 0.275 353 L C 0.595 177.341 176.870 -0.206 0.000 1.022 353 L CA -0.853 53.894 54.840 -0.156 0.000 0.812 353 L CB 1.664 43.626 42.059 -0.162 0.000 1.257 353 L HN 0.714 nan 8.230 nan 0.000 0.435 354 D N 1.739 122.012 120.400 -0.210 0.000 2.440 354 D HA 0.196 4.836 4.640 0.000 0.000 0.216 354 D C 0.456 176.558 176.300 -0.331 0.000 1.150 354 D CA 0.188 54.048 54.000 -0.234 0.000 0.832 354 D CB 1.427 42.141 40.800 -0.144 0.000 0.992 354 D HN 0.669 nan 8.370 nan 0.000 0.502 355 G N -0.234 108.334 108.800 -0.387 0.000 2.788 355 G HA2 0.632 4.592 3.960 0.000 0.000 0.293 355 G HA3 0.632 4.592 3.960 0.000 0.000 0.293 355 G C -1.064 173.460 174.900 -0.627 0.000 1.305 355 G CA -0.521 44.346 45.100 -0.388 0.000 1.005 355 G HN -0.061 nan 8.290 nan 0.000 0.496 356 F N -1.426 118.536 119.950 0.021 0.000 2.640 356 F HA 0.413 4.940 4.527 0.000 0.000 0.324 356 F C -0.511 175.312 175.800 0.038 0.000 1.077 356 F CA -0.911 57.107 58.000 0.030 0.000 0.965 356 F CB 2.012 41.039 39.000 0.045 0.000 1.351 356 F HN 0.360 nan 8.300 nan 0.000 0.487 357 D N 1.329 121.886 120.400 0.261 0.000 2.325 357 D HA 0.242 4.883 4.640 0.000 0.000 0.251 357 D C -0.043 176.367 176.300 0.182 0.000 1.196 357 D CA 0.162 54.263 54.000 0.169 0.000 0.866 357 D CB 0.683 41.556 40.800 0.121 0.000 1.101 357 D HN 0.502 nan 8.370 nan 0.000 0.476 358 L N 3.268 124.599 121.223 0.181 0.000 2.791 358 L HA 0.061 4.401 4.340 0.000 0.000 0.239 358 L C 1.902 178.881 176.870 0.181 0.000 1.203 358 L CA -0.138 54.817 54.840 0.192 0.000 1.002 358 L CB -0.283 41.926 42.059 0.251 0.000 1.295 358 L HN 0.376 nan 8.230 nan 0.000 0.504 359 S N 0.143 115.936 115.700 0.156 0.000 2.383 359 S HA -0.079 4.391 4.470 0.000 0.000 0.229 359 S C -0.604 174.080 174.600 0.140 0.000 1.030 359 S CA 0.745 59.041 58.200 0.160 0.000 1.002 359 S CB -1.461 61.827 63.200 0.147 0.000 0.829 359 S HN 0.270 nan 8.310 nan 0.000 0.467 360 P HA -0.048 nan 4.420 nan 0.000 0.215 360 P C 1.742 179.090 177.300 0.080 0.000 1.153 360 P CA 0.645 63.795 63.100 0.082 0.000 0.853 360 P CB -0.154 31.584 31.700 0.065 0.000 0.788 361 L N -1.470 119.814 121.223 0.102 0.000 2.056 361 L HA -0.091 4.249 4.340 0.000 0.000 0.207 361 L C 2.003 178.931 176.870 0.097 0.000 1.078 361 L CA 1.844 56.737 54.840 0.090 0.000 0.749 361 L CB -1.422 40.713 42.059 0.126 0.000 0.901 361 L HN -0.174 nan 8.230 nan 0.000 0.433 362 L N -0.627 120.691 121.223 0.158 0.000 2.056 362 L HA -0.119 4.222 4.340 0.000 0.000 0.207 362 L C 2.304 179.257 176.870 0.139 0.000 1.078 362 L CA 1.695 56.648 54.840 0.188 0.000 0.749 362 L CB -0.931 41.291 42.059 0.270 0.000 0.901 362 L HN 0.271 nan 8.230 nan 0.000 0.433 363 L N -1.327 119.966 121.223 0.117 0.000 2.492 363 L HA 0.198 4.539 4.340 0.000 0.000 0.223 363 L C 1.433 178.314 176.870 0.018 0.000 1.132 363 L CA 0.623 55.499 54.840 0.060 0.000 0.850 363 L CB -0.542 41.554 42.059 0.061 0.000 0.966 363 L HN 0.476 nan 8.230 nan 0.000 0.454 364 G N 0.401 109.215 108.800 0.024 0.000 2.132 364 G HA2 -0.299 3.661 3.960 0.000 0.000 0.228 364 G HA3 -0.299 3.661 3.960 0.000 0.000 0.228 364 G C 0.774 175.673 174.900 -0.002 0.000 1.000 364 G CA 0.592 45.692 45.100 -0.000 0.000 0.693 364 G HN 0.383 nan 8.290 nan 0.000 0.515 365 T N -3.117 111.444 114.554 0.011 0.000 2.985 365 T HA 0.591 4.941 4.350 0.000 0.000 0.254 365 T C 1.177 175.886 174.700 0.016 0.000 1.021 365 T CA 1.093 63.199 62.100 0.009 0.000 0.957 365 T CB 1.195 70.072 68.868 0.014 0.000 1.047 365 T HN 1.628 nan 8.240 nan 0.000 0.511 366 G N 0.058 108.873 108.800 0.024 0.000 2.788 366 G HA2 0.632 4.593 3.960 0.000 0.000 0.293 366 G HA3 0.632 4.593 3.960 0.000 0.000 0.293 366 G C -1.650 173.264 174.900 0.024 0.000 1.392 366 G CA -0.991 44.123 45.100 0.024 0.000 0.810 366 G HN 0.249 nan 8.290 nan 0.000 0.508 367 K N -0.300 120.112 120.400 0.020 0.000 2.168 367 K HA 0.591 4.911 4.320 0.000 0.000 0.239 367 K C 0.312 176.927 176.600 0.026 0.000 0.999 367 K CA -0.402 55.897 56.287 0.020 0.000 0.900 367 K CB 1.627 34.134 32.500 0.011 0.000 1.111 367 K HN 0.478 nan 8.250 nan 0.000 0.452 368 S N 1.086 116.807 115.700 0.035 0.000 2.564 368 S HA 0.145 4.615 4.470 0.000 0.000 0.278 368 S C -1.676 172.891 174.600 -0.056 0.000 1.333 368 S CA -1.214 57.004 58.200 0.031 0.000 1.048 368 S CB 0.497 63.744 63.200 0.079 0.000 0.900 368 S HN 0.366 nan 8.310 nan 0.000 0.505 369 P HA 0.066 nan 4.420 nan 0.000 0.241 369 P C 0.120 177.087 177.300 -0.554 0.000 1.191 369 P CA 0.214 63.145 63.100 -0.282 0.000 0.771 369 P CB 0.007 31.536 31.700 -0.285 0.000 0.929 370 R N 0.556 120.768 120.500 -0.481 0.000 2.316 370 R HA 0.139 4.480 4.340 0.000 0.000 0.314 370 R C 0.741 176.922 176.300 -0.199 0.000 1.069 370 R CA 0.235 56.053 56.100 -0.470 0.000 0.959 370 R CB 0.484 30.704 30.300 -0.133 0.000 0.987 370 R HN -0.122 nan 8.270 nan 0.000 0.446 371 Q N 1.282 120.984 119.800 -0.163 0.000 2.353 371 Q HA 0.207 4.547 4.340 0.000 0.000 0.240 371 Q C -0.224 175.736 176.000 -0.066 0.000 0.868 371 Q CA 0.253 56.012 55.803 -0.073 0.000 0.944 371 Q CB 1.458 30.166 28.738 -0.051 0.000 1.104 371 Q HN 0.708 nan 8.270 nan 0.000 0.531 372 S N -0.291 115.353 115.700 -0.093 0.000 2.548 372 S HA 0.788 5.258 4.470 0.000 0.000 0.286 372 S C -1.130 173.241 174.600 -0.381 0.000 1.098 372 S CA -0.561 57.493 58.200 -0.243 0.000 0.930 372 S CB 1.515 64.569 63.200 -0.244 0.000 1.070 372 S HN 0.282 nan 8.310 nan 0.000 0.480 373 L N 2.033 122.858 121.223 -0.662 0.000 2.401 373 L HA 0.666 5.006 4.340 0.000 0.000 0.266 373 L C -1.603 174.541 176.870 -1.211 0.000 0.991 373 L CA -0.404 53.962 54.840 -0.791 0.000 0.818 373 L CB 1.413 43.015 42.059 -0.761 0.000 1.321 373 L HN 0.551 nan 8.230 nan 0.000 0.413 374 F N 2.022 121.540 119.950 -0.720 0.000 2.493 374 F HA 0.597 5.124 4.527 0.000 0.000 0.329 374 F C -0.628 174.688 175.800 -0.807 0.000 1.126 374 F CA -0.433 57.217 58.000 -0.583 0.000 0.937 374 F CB 1.410 40.238 39.000 -0.287 0.000 1.146 374 F HN 0.072 nan 8.300 nan 0.000 0.442 375 F N 2.790 122.735 119.950 -0.007 0.000 2.467 375 F HA 0.514 5.041 4.527 0.001 0.000 0.336 375 F C -0.694 175.050 175.800 -0.092 0.000 1.123 375 F CA -1.260 56.735 58.000 -0.008 0.000 0.964 375 F CB 1.063 40.056 39.000 -0.012 0.000 1.136 375 F HN 0.310 nan 8.300 nan 0.000 0.447 376 Y N 3.673 124.055 120.300 0.136 0.000 2.457 376 Y HA 0.490 5.040 4.550 0.000 0.000 0.333 376 Y C -2.021 173.802 175.900 -0.129 0.000 1.119 376 Y CA -2.105 55.974 58.100 -0.034 0.000 1.143 376 Y CB 1.476 39.860 38.460 -0.126 0.000 1.230 376 Y HN 0.350 nan 8.280 nan 0.000 0.469 377 P HA 0.130 nan 4.420 nan 0.000 0.279 377 P C -0.170 177.053 177.300 -0.128 0.000 1.276 377 P CA -0.247 62.655 63.100 -0.330 0.000 0.801 377 P CB 1.471 32.557 31.700 -1.022 0.000 1.127 378 S N -0.964 114.721 115.700 -0.025 0.000 2.382 378 S HA -0.115 4.355 4.470 0.000 0.000 0.228 378 S C 0.468 174.944 174.600 -0.206 0.000 1.027 378 S CA 1.468 59.647 58.200 -0.035 0.000 0.991 378 S CB -0.764 62.542 63.200 0.177 0.000 0.823 378 S HN 0.491 nan 8.310 nan 0.000 0.469 379 Y N 2.531 122.800 120.300 -0.051 0.000 2.960 379 Y HA 0.383 4.934 4.550 0.002 0.000 0.343 379 Y C -2.274 173.592 175.900 -0.056 0.000 1.106 379 Y CA -2.911 55.186 58.100 -0.006 0.000 1.221 379 Y CB 0.322 38.798 38.460 0.025 0.000 1.232 379 Y HN 0.165 nan 8.280 nan 0.000 0.577 380 P HA 0.314 nan 4.420 nan 0.000 0.279 380 P C -0.944 176.425 177.300 0.116 0.000 1.276 380 P CA -0.290 62.809 63.100 -0.002 0.000 0.801 380 P CB 2.048 33.682 31.700 -0.109 0.000 1.127 381 D N -3.345 117.150 120.400 0.158 0.000 2.623 381 D HA 0.168 4.809 4.640 0.000 0.000 0.241 381 D C 0.138 176.250 176.300 -0.313 0.000 1.241 381 D CA -0.681 53.301 54.000 -0.030 0.000 0.788 381 D CB 0.609 41.394 40.800 -0.025 0.000 1.413 381 D HN 0.225 nan 8.370 nan 0.000 0.429 382 E N -0.186 119.626 120.200 -0.647 0.000 2.371 382 E HA 0.007 4.357 4.350 0.000 0.000 0.194 382 E C 1.410 177.821 176.600 -0.315 0.000 1.012 382 E CA 0.299 56.249 56.400 -0.749 0.000 0.860 382 E CB 0.311 29.519 29.700 -0.820 0.000 0.811 382 E HN 0.371 nan 8.360 nan 0.000 0.502 383 V N 0.556 120.353 119.914 -0.195 0.000 2.407 383 V HA -0.160 3.960 4.120 0.000 0.000 0.245 383 V C 2.097 178.149 176.094 -0.070 0.000 1.041 383 V CA 1.538 63.774 62.300 -0.107 0.000 1.040 383 V CB -0.204 31.577 31.823 -0.071 0.000 0.671 383 V HN 0.180 nan 8.190 nan 0.000 0.455 384 R N -0.444 119.996 120.500 -0.100 0.000 2.127 384 R HA 0.276 4.616 4.340 0.000 0.000 0.217 384 R C 1.425 177.746 176.300 0.034 0.000 1.074 384 R CA 0.686 56.693 56.100 -0.156 0.000 0.991 384 R CB -0.159 29.801 30.300 -0.567 0.000 0.895 384 R HN 0.573 nan 8.270 nan 0.000 0.450 385 G N 0.902 109.751 108.800 0.082 0.000 2.569 385 G HA2 -0.324 3.636 3.960 0.000 0.000 0.259 385 G HA3 -0.324 3.636 3.960 0.000 0.000 0.259 385 G C 0.025 175.043 174.900 0.197 0.000 1.263 385 G CA -0.128 45.085 45.100 0.188 0.000 0.928 385 G HN 0.286 nan 8.290 nan 0.000 0.572 386 V N -1.901 117.988 119.914 -0.042 0.000 2.740 386 V HA 0.546 4.666 4.120 0.000 0.000 0.303 386 V C 1.407 177.654 176.094 0.255 0.000 1.054 386 V CA 0.558 62.684 62.300 -0.289 0.000 1.106 386 V CB 0.897 32.517 31.823 -0.337 0.000 0.957 386 V HN 0.759 nan 8.190 nan 0.000 0.486 387 F N 2.589 122.574 119.950 0.058 0.000 2.219 387 F HA 0.566 5.093 4.527 0.001 0.000 0.294 387 F C 1.334 177.357 175.800 0.371 0.000 1.086 387 F CA 0.700 58.891 58.000 0.318 0.000 1.330 387 F CB -0.086 39.064 39.000 0.250 0.000 1.047 387 F HN 0.875 nan 8.300 nan 0.000 0.495 388 A N -0.694 122.395 122.820 0.448 0.000 2.539 388 A HA 0.718 5.039 4.320 0.000 0.000 0.296 388 A C -1.621 176.151 177.584 0.313 0.000 1.073 388 A CA -0.525 51.691 52.037 0.298 0.000 0.700 388 A CB 1.521 20.531 19.000 0.015 0.000 1.296 388 A HN -0.175 nan 8.150 nan 0.000 0.405 389 V N 1.160 121.199 119.914 0.208 0.000 2.709 389 V HA 0.627 4.747 4.120 0.000 0.000 0.308 389 V C -0.105 175.969 176.094 -0.033 0.000 1.062 389 V CA -0.633 61.681 62.300 0.024 0.000 0.901 389 V CB 1.904 33.782 31.823 0.091 0.000 1.003 389 V HN 0.991 nan 8.190 nan 0.000 0.425 390 R N 2.038 122.450 120.500 -0.146 0.000 2.514 390 R HA 0.780 5.121 4.340 0.000 0.000 0.301 390 R C -1.144 175.073 176.300 -0.139 0.000 0.962 390 R CA -0.187 55.861 56.100 -0.087 0.000 0.882 390 R CB 1.827 32.081 30.300 -0.076 0.000 1.143 390 R HN 0.773 nan 8.270 nan 0.000 0.452 391 T N 2.771 117.309 114.554 -0.026 0.000 2.937 391 T HA 0.494 4.844 4.350 0.000 0.000 0.297 391 T C -0.025 174.712 174.700 0.062 0.000 0.991 391 T CA 0.154 62.250 62.100 -0.007 0.000 0.990 391 T CB 1.579 70.456 68.868 0.015 0.000 0.991 391 T HN 0.977 nan 8.240 nan 0.000 0.440 392 G N 3.730 112.548 108.800 0.030 0.000 2.556 392 G HA2 -0.307 3.653 3.960 0.000 0.000 0.283 392 G HA3 -0.307 3.653 3.960 0.000 0.000 0.283 392 G C 0.744 175.639 174.900 -0.009 0.000 1.177 392 G CA 0.685 45.804 45.100 0.032 0.000 0.978 392 G HN 0.944 nan 8.290 nan 0.000 0.554 393 K N -0.157 120.175 120.400 -0.112 0.000 2.404 393 K HA 0.326 4.646 4.320 0.000 0.000 0.194 393 K C -0.103 176.321 176.600 -0.293 0.000 1.023 393 K CA 0.052 56.205 56.287 -0.224 0.000 1.094 393 K CB 0.294 32.583 32.500 -0.351 0.000 0.841 393 K HN 0.442 nan 8.250 nan 0.000 0.523 394 Y N 2.134 122.448 120.300 0.024 0.000 2.342 394 Y HA 0.338 4.888 4.550 0.000 0.000 0.334 394 Y C -0.238 175.665 175.900 0.006 0.000 1.067 394 Y CA -0.826 57.285 58.100 0.018 0.000 1.128 394 Y CB 1.689 40.145 38.460 -0.006 0.000 1.200 394 Y HN -0.103 nan 8.280 nan 0.000 0.464 395 K N 2.221 122.733 120.400 0.187 0.000 2.345 395 K HA 0.874 5.194 4.320 0.000 0.000 0.255 395 K C -1.498 175.119 176.600 0.028 0.000 0.934 395 K CA -0.709 55.628 56.287 0.083 0.000 0.801 395 K CB 1.238 33.778 32.500 0.067 0.000 1.137 395 K HN 0.770 nan 8.250 nan 0.000 0.424 396 A N 3.897 126.659 122.820 -0.097 0.000 2.330 396 A HA 0.460 4.780 4.320 0.000 0.000 0.327 396 A C -1.267 176.104 177.584 -0.354 0.000 1.155 396 A CA -0.693 51.180 52.037 -0.274 0.000 0.803 396 A CB 0.660 19.383 19.000 -0.462 0.000 1.208 396 A HN 0.819 nan 8.150 nan 0.000 0.477 397 H N 2.402 121.272 119.070 -0.333 0.000 2.504 397 H HA 0.325 4.881 4.556 0.001 0.000 0.322 397 H C -0.486 174.631 175.328 -0.351 0.000 1.055 397 H CA -0.031 55.901 56.048 -0.194 0.000 1.231 397 H CB 1.221 30.909 29.762 -0.124 0.000 1.417 397 H HN 0.714 nan 8.280 nan 0.000 0.472 398 F N 1.469 121.419 119.950 -0.000 0.000 2.619 398 F HA 0.143 4.670 4.527 0.000 0.000 0.293 398 F C 0.121 175.507 175.800 -0.690 0.000 1.119 398 F CA 0.409 58.255 58.000 -0.256 0.000 1.445 398 F CB 0.464 39.356 39.000 -0.180 0.000 1.119 398 F HN 0.289 nan 8.300 nan 0.000 0.573 399 F N -1.607 118.322 119.950 -0.036 0.000 2.601 399 F HA 0.535 5.062 4.527 -0.000 0.000 0.309 399 F C -0.000 175.662 175.800 -0.230 0.000 1.089 399 F CA -0.981 56.779 58.000 -0.399 0.000 0.940 399 F CB 1.913 40.049 39.000 -1.441 0.000 1.273 399 F HN -0.550 nan 8.300 nan 0.000 0.450 400 T N 1.666 116.278 114.554 0.096 0.000 2.903 400 T HA 0.601 4.951 4.350 0.000 0.000 0.299 400 T C -1.745 173.082 174.700 0.213 0.000 1.093 400 T CA -0.607 61.582 62.100 0.148 0.000 1.002 400 T CB 2.156 71.158 68.868 0.223 0.000 1.127 400 T HN 0.648 nan 8.240 nan 0.000 0.488 401 Q N 0.523 120.472 119.800 0.248 0.000 2.503 401 Q HA 0.539 4.879 4.340 0.000 0.000 0.268 401 Q C -0.719 175.446 176.000 0.276 0.000 0.982 401 Q CA -0.736 55.229 55.803 0.270 0.000 0.907 401 Q CB 1.605 30.565 28.738 0.369 0.000 1.467 401 Q HN 0.880 nan 8.270 nan 0.000 0.394 402 G N 0.533 109.469 108.800 0.227 0.000 2.532 402 G HA2 0.638 4.598 3.960 0.000 0.000 0.291 402 G HA3 0.638 4.598 3.960 0.000 0.000 0.291 402 G C -0.905 174.108 174.900 0.188 0.000 1.349 402 G CA -0.060 45.170 45.100 0.218 0.000 1.038 402 G HN 0.405 nan 8.290 nan 0.000 0.518 403 S N -2.703 113.097 115.700 0.167 0.000 2.537 403 S HA 0.516 4.987 4.470 0.000 0.000 0.270 403 S C 0.915 175.555 174.600 0.068 0.000 1.142 403 S CA 0.466 58.749 58.200 0.138 0.000 0.870 403 S CB 1.356 64.688 63.200 0.221 0.000 1.112 403 S HN 1.364 nan 8.310 nan 0.000 0.466 404 A N 2.468 125.263 122.820 -0.042 0.000 2.019 404 A HA -0.034 4.286 4.320 0.000 0.000 0.219 404 A C 1.606 179.068 177.584 -0.203 0.000 1.164 404 A CA 1.378 53.331 52.037 -0.140 0.000 0.644 404 A CB -0.988 17.881 19.000 -0.218 0.000 0.805 404 A HN 0.928 nan 8.150 nan 0.000 0.449 405 H N -0.308 118.787 119.070 0.040 0.000 2.457 405 H HA 0.008 4.564 4.556 0.001 0.000 0.294 405 H C 1.146 176.489 175.328 0.025 0.000 1.064 405 H CA 1.443 57.507 56.048 0.026 0.000 1.330 405 H CB 0.028 29.816 29.762 0.043 0.000 1.395 405 H HN 0.441 nan 8.280 nan 0.000 0.541 406 S N 0.656 116.443 115.700 0.145 0.000 2.582 406 S HA 0.050 4.520 4.470 0.000 0.000 0.234 406 S C 0.328 174.984 174.600 0.093 0.000 0.961 406 S CA -0.366 57.901 58.200 0.113 0.000 0.953 406 S CB 0.452 63.732 63.200 0.133 0.000 0.800 406 S HN 0.262 nan 8.310 nan 0.000 0.471 407 D N 1.961 122.385 120.400 0.040 0.000 2.372 407 D HA 0.164 4.804 4.640 0.000 0.000 0.243 407 D C 1.345 177.600 176.300 -0.075 0.000 1.297 407 D CA 1.598 55.579 54.000 -0.030 0.000 0.958 407 D CB 0.574 41.304 40.800 -0.117 0.000 1.114 407 D HN 0.346 nan 8.370 nan 0.000 0.496 408 T N -4.588 109.839 114.554 -0.211 0.000 5.686 408 T HA -0.184 4.166 4.350 0.000 0.000 0.270 408 T C 0.479 175.149 174.700 -0.050 0.000 2.206 408 T CA 1.539 63.549 62.100 -0.151 0.000 3.748 408 T CB -2.486 66.326 68.868 -0.093 0.000 0.697 408 T HN 0.576 nan 8.240 nan 0.000 1.085 409 T N -1.214 113.371 114.554 0.051 0.000 2.884 409 T HA 0.868 5.218 4.350 0.000 0.000 0.277 409 T C 1.606 176.414 174.700 0.180 0.000 0.976 409 T CA -0.154 61.994 62.100 0.080 0.000 0.956 409 T CB 1.383 70.282 68.868 0.052 0.000 1.113 409 T HN 1.034 nan 8.240 nan 0.000 0.554 410 A N -0.489 122.378 122.820 0.078 0.000 2.169 410 A HA 0.181 4.501 4.320 0.000 0.000 0.212 410 A C 0.940 178.519 177.584 -0.008 0.000 1.153 410 A CA 0.243 52.313 52.037 0.056 0.000 0.756 410 A CB -0.641 18.364 19.000 0.008 0.000 0.813 410 A HN 0.816 nan 8.150 nan 0.000 0.471 411 D N 0.129 120.489 120.400 -0.067 0.000 2.325 411 D HA 0.228 4.869 4.640 0.000 0.000 0.251 411 D C -1.682 174.366 176.300 -0.421 0.000 1.196 411 D CA -2.168 51.713 54.000 -0.199 0.000 0.866 411 D CB 1.393 42.069 40.800 -0.207 0.000 1.101 411 D HN 0.048 nan 8.370 nan 0.000 0.476 412 P HA -0.021 nan 4.420 nan 0.000 0.222 412 P C 0.883 177.877 177.300 -0.509 0.000 1.153 412 P CA 0.557 63.260 63.100 -0.661 0.000 0.798 412 P CB 0.166 31.697 31.700 -0.282 0.000 0.796 413 A N -0.618 122.003 122.820 -0.331 0.000 2.121 413 A HA -0.114 4.206 4.320 0.000 0.000 0.218 413 A C 2.109 179.602 177.584 -0.153 0.000 1.154 413 A CA 1.149 53.064 52.037 -0.204 0.000 0.679 413 A CB -1.638 17.210 19.000 -0.254 0.000 0.795 413 A HN 0.249 nan 8.150 nan 0.000 0.458 414 c N -0.571 117.896 118.600 -0.222 0.000 2.539 414 c HA 0.141 4.711 4.570 0.000 0.000 0.268 414 c C 1.121 175.287 174.090 0.128 0.000 1.395 414 c CA -0.680 55.637 56.329 -0.020 0.000 1.757 414 c CB -1.939 40.564 42.510 -0.012 0.000 1.851 414 c HN 0.607 nan 8.230 nan 0.000 0.545 415 H N -0.172 118.908 119.070 0.017 0.000 2.603 415 H HA 0.324 4.880 4.556 -0.001 0.000 0.370 415 H C 1.440 176.787 175.328 0.032 0.000 1.225 415 H CA -0.095 55.962 56.048 0.015 0.000 1.410 415 H CB 0.781 30.542 29.762 -0.001 0.000 1.495 415 H HN 0.183 nan 8.280 nan 0.000 0.602 416 A N 1.201 124.113 122.820 0.152 0.000 1.972 416 A HA -0.202 4.118 4.320 0.000 0.000 0.219 416 A C 2.220 179.850 177.584 0.078 0.000 1.169 416 A CA 1.743 53.827 52.037 0.077 0.000 0.635 416 A CB -0.796 18.212 19.000 0.015 0.000 0.810 416 A HN 0.742 nan 8.150 nan 0.000 0.446 417 S N -0.595 115.164 115.700 0.099 0.000 2.607 417 S HA 0.085 4.555 4.470 0.000 0.000 0.224 417 S C 0.659 175.305 174.600 0.077 0.000 0.969 417 S CA 0.465 58.712 58.200 0.078 0.000 0.927 417 S CB -0.328 62.921 63.200 0.081 0.000 0.772 417 S HN 0.245 nan 8.310 nan 0.000 0.533 418 S N 3.619 119.372 115.700 0.088 0.000 2.485 418 S HA 0.392 4.863 4.470 0.000 0.000 0.312 418 S C 0.512 175.169 174.600 0.094 0.000 1.102 418 S CA -0.643 57.601 58.200 0.074 0.000 1.066 418 S CB 0.346 63.589 63.200 0.071 0.000 1.102 418 S HN 0.681 nan 8.310 nan 0.000 0.519 419 S N 3.176 118.922 115.700 0.077 0.000 2.608 419 S HA 0.387 4.857 4.470 0.000 0.000 0.261 419 S C 0.212 174.872 174.600 0.100 0.000 1.314 419 S CA -0.947 57.301 58.200 0.080 0.000 0.992 419 S CB 0.186 63.418 63.200 0.053 0.000 0.935 419 S HN 0.476 nan 8.310 nan 0.000 0.564 420 L N 2.161 123.453 121.223 0.115 0.000 2.700 420 L HA 0.194 4.534 4.340 0.000 0.000 0.276 420 L C -0.216 176.707 176.870 0.088 0.000 1.200 420 L CA 1.396 56.318 54.840 0.138 0.000 0.951 420 L CB -1.058 41.085 42.059 0.140 0.000 1.226 420 L HN 0.875 nan 8.230 nan 0.000 0.489 421 T N 5.143 119.733 114.554 0.060 0.000 2.881 421 T HA 0.739 5.089 4.350 0.000 0.000 0.290 421 T C -0.321 174.242 174.700 -0.229 0.000 1.000 421 T CA -0.181 61.872 62.100 -0.079 0.000 0.978 421 T CB 1.509 70.307 68.868 -0.117 0.000 0.997 421 T HN 0.862 nan 8.240 nan 0.000 0.443 422 A N 2.609 125.251 122.820 -0.296 0.000 2.363 422 A HA 0.630 4.950 4.320 0.000 0.000 0.270 422 A C -0.710 176.419 177.584 -0.759 0.000 1.121 422 A CA -0.333 51.396 52.037 -0.513 0.000 0.800 422 A CB -0.092 18.754 19.000 -0.258 0.000 1.052 422 A HN 0.962 nan 8.150 nan 0.000 0.493 423 H N 0.642 119.488 119.070 -0.373 0.000 2.589 423 H HA 0.583 5.139 4.556 0.000 0.000 0.335 423 H C -1.020 174.171 175.328 -0.228 0.000 1.019 423 H CA -0.212 55.688 56.048 -0.246 0.000 1.213 423 H CB 1.550 31.178 29.762 -0.224 0.000 1.472 423 H HN 0.660 nan 8.280 nan 0.000 0.508 424 E N 3.927 124.085 120.200 -0.071 0.000 2.343 424 E HA 0.268 4.619 4.350 0.000 0.000 0.260 424 E C -2.410 174.167 176.600 -0.038 0.000 0.908 424 E CA -1.845 54.525 56.400 -0.050 0.000 0.814 424 E CB 0.904 30.575 29.700 -0.048 0.000 1.302 424 E HN 0.445 nan 8.360 nan 0.000 0.408 425 P HA 0.232 nan 4.420 nan 0.000 0.269 425 P C -2.537 174.694 177.300 -0.115 0.000 1.215 425 P CA -1.094 61.966 63.100 -0.067 0.000 0.780 425 P CB 0.011 31.664 31.700 -0.078 0.000 0.898 426 P HA 0.110 nan 4.420 nan 0.000 0.272 426 P C -0.146 176.960 177.300 -0.324 0.000 1.240 426 P CA -0.164 62.715 63.100 -0.369 0.000 0.791 426 P CB 0.704 31.874 31.700 -0.884 0.000 0.978 427 L N 1.222 122.225 121.223 -0.366 0.000 2.410 427 L HA 0.242 4.582 4.340 0.000 0.000 0.273 427 L C 0.598 177.175 176.870 -0.489 0.000 1.152 427 L CA -0.278 54.291 54.840 -0.452 0.000 0.855 427 L CB -0.097 41.667 42.059 -0.491 0.000 1.129 427 L HN 0.282 nan 8.230 nan 0.000 0.463 428 L N 4.619 125.465 121.223 -0.629 0.000 2.404 428 L HA 0.515 4.855 4.340 0.000 0.000 0.272 428 L C -1.298 175.248 176.870 -0.540 0.000 0.980 428 L CA -0.026 54.545 54.840 -0.448 0.000 0.836 428 L CB 1.221 43.119 42.059 -0.267 0.000 1.238 428 L HN 0.243 nan 8.230 nan 0.000 0.408 429 Y N 1.977 122.341 120.300 0.107 0.000 2.524 429 Y HA 0.490 5.040 4.550 -0.000 0.000 0.344 429 Y C -0.283 175.702 175.900 0.141 0.000 1.012 429 Y CA -0.951 57.218 58.100 0.115 0.000 1.068 429 Y CB 1.612 40.124 38.460 0.087 0.000 1.249 429 Y HN 0.497 nan 8.280 nan 0.000 0.468 430 D N 2.399 122.947 120.400 0.247 0.000 2.443 430 D HA 0.209 4.849 4.640 0.000 0.000 0.221 430 D C 0.336 176.657 176.300 0.034 0.000 1.097 430 D CA 0.046 54.061 54.000 0.025 0.000 0.865 430 D CB 0.808 41.610 40.800 0.003 0.000 1.034 430 D HN 0.656 nan 8.370 nan 0.000 0.511 431 L N 2.573 123.796 121.223 -0.001 0.000 2.465 431 L HA -0.094 4.246 4.340 0.000 0.000 0.224 431 L C 2.269 179.124 176.870 -0.025 0.000 1.145 431 L CA 0.575 55.423 54.840 0.013 0.000 0.834 431 L CB -0.240 41.843 42.059 0.042 0.000 0.944 431 L HN 0.346 nan 8.230 nan 0.000 0.451 432 S N -0.176 115.482 115.700 -0.069 0.000 2.425 432 S HA -0.081 4.390 4.470 0.000 0.000 0.225 432 S C 1.740 176.311 174.600 -0.048 0.000 1.024 432 S CA 0.309 58.462 58.200 -0.078 0.000 0.951 432 S CB 0.005 63.140 63.200 -0.109 0.000 0.796 432 S HN 0.472 nan 8.310 nan 0.000 0.498 433 K N 0.226 120.613 120.400 -0.021 0.000 2.348 433 K HA 0.237 4.557 4.320 0.000 0.000 0.194 433 K C -0.024 176.608 176.600 0.053 0.000 1.052 433 K CA 0.547 56.841 56.287 0.013 0.000 1.004 433 K CB 0.150 32.666 32.500 0.026 0.000 0.873 433 K HN 0.253 nan 8.250 nan 0.000 0.523 434 D N 1.218 121.657 120.400 0.064 0.000 2.861 434 D HA 0.145 4.785 4.640 0.000 0.000 0.357 434 D C -1.988 174.311 176.300 -0.002 0.000 1.250 434 D CA -2.249 51.800 54.000 0.082 0.000 0.802 434 D CB 0.877 41.791 40.800 0.191 0.000 1.141 434 D HN -0.156 nan 8.370 nan 0.000 0.489 435 P HA -0.030 nan 4.420 nan 0.000 0.220 435 P C 1.519 178.746 177.300 -0.121 0.000 1.148 435 P CA 0.744 63.808 63.100 -0.061 0.000 0.803 435 P CB 0.136 31.802 31.700 -0.057 0.000 0.782 436 G N -0.204 108.514 108.800 -0.137 0.000 2.559 436 G HA2 -0.177 3.783 3.960 0.000 0.000 0.216 436 G HA3 -0.177 3.783 3.960 0.000 0.000 0.216 436 G C 0.385 175.086 174.900 -0.332 0.000 1.126 436 G CA 0.079 45.059 45.100 -0.201 0.000 0.778 436 G HN 0.291 nan 8.290 nan 0.000 0.543 437 E N -0.907 119.034 120.200 -0.432 0.000 2.340 437 E HA -0.163 4.188 4.350 0.000 0.000 0.240 437 E C 0.609 176.698 176.600 -0.852 0.000 1.154 437 E CA 0.244 56.080 56.400 -0.940 0.000 0.717 437 E CB -1.000 28.184 29.700 -0.860 0.000 1.250 437 E HN 0.424 nan 8.360 nan 0.000 0.386 438 N N -0.663 117.683 118.700 -0.591 0.000 2.415 438 N HA -0.000 4.740 4.740 0.000 0.000 0.174 438 N C -0.337 174.880 175.510 -0.487 0.000 1.048 438 N CA 0.802 53.442 53.050 -0.683 0.000 0.895 438 N CB 0.445 38.190 38.487 -1.237 0.000 1.036 438 N HN 0.155 nan 8.380 nan 0.000 0.449 439 Y N 1.562 122.008 120.300 0.243 0.000 2.575 439 Y HA 0.267 4.817 4.550 0.000 0.000 0.326 439 Y C 0.283 176.292 175.900 0.181 0.000 0.979 439 Y CA -1.405 56.802 58.100 0.178 0.000 1.286 439 Y CB -0.124 38.396 38.460 0.100 0.000 1.093 439 Y HN -0.066 nan 8.280 nan 0.000 0.501 440 N N 3.544 122.344 118.700 0.166 0.000 2.447 440 N HA 0.005 4.745 4.740 0.000 0.000 0.263 440 N C 0.568 176.034 175.510 -0.072 0.000 1.226 440 N CA -0.024 52.931 53.050 -0.158 0.000 0.906 440 N CB 0.767 39.145 38.487 -0.181 0.000 1.060 440 N HN 0.749 nan 8.380 nan 0.000 0.468 441 L N 3.256 124.413 121.223 -0.109 0.000 2.552 441 L HA -0.018 4.323 4.340 0.000 0.000 0.227 441 L C 0.954 177.782 176.870 -0.070 0.000 1.146 441 L CA 0.166 54.983 54.840 -0.037 0.000 0.858 441 L CB 0.026 42.081 42.059 -0.005 0.000 0.969 441 L HN 0.628 nan 8.230 nan 0.000 0.451 442 L N -0.026 121.130 121.223 -0.112 0.000 2.791 442 L HA 0.329 4.669 4.340 0.000 0.000 0.239 442 L C 1.184 178.011 176.870 -0.072 0.000 1.203 442 L CA -0.011 54.772 54.840 -0.094 0.000 1.002 442 L CB -0.501 41.481 42.059 -0.127 0.000 1.295 442 L HN -0.021 nan 8.230 nan 0.000 0.504 449 T N 2.946 117.482 114.554 -0.030 0.000 2.903 449 T HA 0.343 4.694 4.350 0.000 0.000 0.314 449 T C -1.717 172.962 174.700 -0.034 0.000 1.078 449 T CA 0.256 62.343 62.100 -0.023 0.000 1.114 449 T CB 1.002 69.863 68.868 -0.011 0.000 0.987 449 T HN 0.227 nan 8.240 nan 0.000 0.548 450 P HA -0.039 nan 4.420 nan 0.000 0.218 450 P C 1.455 178.734 177.300 -0.036 0.000 1.149 450 P CA 0.616 63.700 63.100 -0.027 0.000 0.817 450 P CB 0.226 31.918 31.700 -0.013 0.000 0.785 451 E N -0.284 119.903 120.200 -0.021 0.000 2.072 451 E HA -0.097 4.253 4.350 0.000 0.000 0.190 451 E C 1.917 178.434 176.600 -0.138 0.000 0.982 451 E CA 0.980 57.370 56.400 -0.017 0.000 0.803 451 E CB -0.306 29.433 29.700 0.066 0.000 0.755 451 E HN -0.010 nan 8.360 nan 0.000 0.453 452 V N 1.504 121.327 119.914 -0.152 0.000 2.261 452 V HA -0.269 3.851 4.120 0.000 0.000 0.246 452 V C 2.567 178.510 176.094 -0.251 0.000 1.047 452 V CA 1.488 63.622 62.300 -0.277 0.000 1.015 452 V CB -0.488 31.247 31.823 -0.147 0.000 0.642 452 V HN 0.249 nan 8.190 nan 0.000 0.446 453 L N 0.449 121.585 121.223 -0.146 0.000 2.079 453 L HA -0.205 4.136 4.340 0.000 0.000 0.210 453 L C 2.695 179.500 176.870 -0.109 0.000 1.081 453 L CA 2.751 57.525 54.840 -0.111 0.000 0.752 453 L CB -0.898 41.119 42.059 -0.071 0.000 0.896 453 L HN 0.479 nan 8.230 nan 0.000 0.433 454 Q N -1.128 118.608 119.800 -0.107 0.000 2.172 454 Q HA 0.023 4.364 4.340 0.000 0.000 0.200 454 Q C 2.318 178.249 176.000 -0.115 0.000 0.964 454 Q CA 1.544 57.298 55.803 -0.082 0.000 0.855 454 Q CB -1.199 27.508 28.738 -0.051 0.000 0.918 454 Q HN 0.683 nan 8.270 nan 0.000 0.444 455 A N 0.297 122.978 122.820 -0.232 0.000 1.930 455 A HA 0.112 4.432 4.320 0.000 0.000 0.217 455 A C 2.325 179.787 177.584 -0.205 0.000 1.175 455 A CA 1.616 53.471 52.037 -0.304 0.000 0.627 455 A CB -0.390 18.058 19.000 -0.919 0.000 0.815 455 A HN 0.748 nan 8.150 nan 0.000 0.443 456 L N -0.070 121.032 121.223 -0.201 0.000 2.017 456 L HA -0.129 4.211 4.340 0.000 0.000 0.208 456 L C 2.123 178.971 176.870 -0.037 0.000 1.073 456 L CA 2.416 57.184 54.840 -0.119 0.000 0.745 456 L CB -0.567 41.420 42.059 -0.121 0.000 0.894 456 L HN 0.326 nan 8.230 nan 0.000 0.432 457 K N -0.824 119.555 120.400 -0.036 0.000 2.097 457 K HA -0.164 4.156 4.320 0.000 0.000 0.206 457 K C 2.103 178.714 176.600 0.018 0.000 1.049 457 K CA 1.780 58.065 56.287 -0.002 0.000 0.933 457 K CB -0.231 32.262 32.500 -0.011 0.000 0.717 457 K HN 0.516 nan 8.250 nan 0.000 0.442 458 Q N 0.716 120.521 119.800 0.008 0.000 2.020 458 Q HA -0.133 4.208 4.340 0.000 0.000 0.202 458 Q C 2.211 178.251 176.000 0.067 0.000 0.982 458 Q CA 1.366 57.188 55.803 0.032 0.000 0.838 458 Q CB -0.246 28.508 28.738 0.026 0.000 0.899 458 Q HN 0.258 nan 8.270 nan 0.000 0.423 459 L N 0.607 121.875 121.223 0.074 0.000 2.079 459 L HA -0.263 4.078 4.340 0.000 0.000 0.210 459 L C 2.494 179.521 176.870 0.263 0.000 1.081 459 L CA 1.383 56.318 54.840 0.158 0.000 0.752 459 L CB -0.400 41.737 42.059 0.129 0.000 0.896 459 L HN 0.296 nan 8.230 nan 0.000 0.433 460 Q N -0.655 119.281 119.800 0.227 0.000 2.123 460 Q HA -0.198 4.142 4.340 0.000 0.000 0.199 460 Q C 2.242 178.279 176.000 0.061 0.000 0.966 460 Q CA 1.099 57.018 55.803 0.193 0.000 0.845 460 Q CB -0.182 28.651 28.738 0.158 0.000 0.907 460 Q HN 0.344 nan 8.270 nan 0.000 0.439 461 L N 0.624 121.885 121.223 0.064 0.000 2.093 461 L HA -0.125 4.215 4.340 0.000 0.000 0.208 461 L C 1.860 178.764 176.870 0.057 0.000 1.085 461 L CA 1.491 56.356 54.840 0.042 0.000 0.755 461 L CB -0.284 41.798 42.059 0.039 0.000 0.904 461 L HN 0.165 nan 8.230 nan 0.000 0.435 462 L N -0.424 120.863 121.223 0.107 0.000 2.093 462 L HA -0.219 4.121 4.340 0.000 0.000 0.208 462 L C 2.621 179.595 176.870 0.173 0.000 1.085 462 L CA 1.727 56.677 54.840 0.184 0.000 0.755 462 L CB -0.635 41.589 42.059 0.275 0.000 0.904 462 L HN 0.324 nan 8.230 nan 0.000 0.435 463 K N 0.613 121.064 120.400 0.084 0.000 2.057 463 K HA -0.166 4.154 4.320 0.000 0.000 0.207 463 K C 2.104 178.641 176.600 -0.106 0.000 1.049 463 K CA 1.411 57.656 56.287 -0.069 0.000 0.931 463 K CB -0.114 32.096 32.500 -0.484 0.000 0.714 463 K HN 0.230 nan 8.250 nan 0.000 0.440 464 A N 0.777 123.542 122.820 -0.092 0.000 1.968 464 A HA -0.132 4.189 4.320 0.000 0.000 0.217 464 A C 1.976 179.531 177.584 -0.049 0.000 1.169 464 A CA 1.172 53.165 52.037 -0.074 0.000 0.638 464 A CB -0.359 18.609 19.000 -0.053 0.000 0.812 464 A HN 0.479 nan 8.150 nan 0.000 0.446 465 Q N -1.014 118.767 119.800 -0.032 0.000 2.046 465 Q HA -0.110 4.230 4.340 0.000 0.000 0.200 465 Q C 2.110 178.064 176.000 -0.077 0.000 0.975 465 Q CA 1.471 57.253 55.803 -0.036 0.000 0.836 465 Q CB -0.289 28.443 28.738 -0.009 0.000 0.896 465 Q HN 0.616 nan 8.270 nan 0.000 0.428 466 L N 1.091 122.235 121.223 -0.132 0.000 2.046 466 L HA -0.210 4.130 4.340 0.000 0.000 0.208 466 L C 1.513 178.320 176.870 -0.105 0.000 1.077 466 L CA 1.750 56.456 54.840 -0.223 0.000 0.747 466 L CB -0.247 41.507 42.059 -0.507 0.000 0.896 466 L HN 0.122 nan 8.230 nan 0.000 0.432 467 D N -0.120 120.241 120.400 -0.066 0.000 2.144 467 D HA -0.158 4.482 4.640 0.000 0.000 0.199 467 D C 2.169 178.456 176.300 -0.022 0.000 0.984 467 D CA 1.477 55.469 54.000 -0.013 0.000 0.834 467 D CB -0.137 40.645 40.800 -0.030 0.000 0.955 467 D HN 0.520 nan 8.370 nan 0.000 0.465 468 A N 0.390 123.187 122.820 -0.038 0.000 2.014 468 A HA 0.129 4.449 4.320 0.000 0.000 0.218 468 A C 2.147 179.712 177.584 -0.032 0.000 1.163 468 A CA 1.716 53.732 52.037 -0.035 0.000 0.652 468 A CB -0.168 18.812 19.000 -0.033 0.000 0.808 468 A HN 0.231 nan 8.150 nan 0.000 0.449 469 A N -1.022 121.775 122.820 -0.038 0.000 2.063 469 A HA 0.446 4.766 4.320 0.000 0.000 0.211 469 A C 0.766 178.331 177.584 -0.032 0.000 1.177 469 A CA 0.250 52.263 52.037 -0.039 0.000 0.759 469 A CB -0.065 18.899 19.000 -0.059 0.000 0.857 469 A HN 0.213 nan 8.150 nan 0.000 0.468 470 V N 2.580 122.484 119.914 -0.017 0.000 2.488 470 V HA 0.338 4.459 4.120 0.000 0.000 0.277 470 V C 0.343 176.478 176.094 0.067 0.000 1.046 470 V CA 0.176 62.483 62.300 0.012 0.000 0.986 470 V CB 0.917 32.764 31.823 0.040 0.000 0.989 470 V HN 0.528 nan 8.190 nan 0.000 0.475 471 T N 2.971 117.562 114.554 0.062 0.000 2.824 471 T HA 0.610 4.961 4.350 0.000 0.000 0.280 471 T C -0.504 174.315 174.700 0.199 0.000 0.995 471 T CA -0.599 61.561 62.100 0.100 0.000 1.009 471 T CB 0.909 69.802 68.868 0.042 0.000 0.955 471 T HN 0.142 nan 8.240 nan 0.000 0.452 472 F N 2.109 122.013 119.950 -0.077 0.000 2.495 472 F HA 0.485 5.013 4.527 0.000 0.000 0.365 472 F C 1.463 177.269 175.800 0.010 0.000 1.090 472 F CA -0.672 57.283 58.000 -0.076 0.000 1.235 472 F CB 0.156 39.081 39.000 -0.124 0.000 1.119 472 F HN 0.905 nan 8.300 nan 0.000 0.562 473 G N 4.458 113.344 108.800 0.145 0.000 2.527 473 G HA2 0.373 4.333 3.960 0.000 0.000 0.248 473 G HA3 0.373 4.333 3.960 0.000 0.000 0.248 473 G C -2.580 172.402 174.900 0.137 0.000 1.231 473 G CA -1.188 43.965 45.100 0.090 0.000 0.838 473 G HN 0.398 nan 8.290 nan 0.000 0.570 474 P HA 0.081 nan 4.420 nan 0.000 0.268 474 P C 0.199 177.427 177.300 -0.119 0.000 1.204 474 P CA -0.106 63.006 63.100 0.021 0.000 0.768 474 P CB 1.193 32.894 31.700 0.001 0.000 0.842 475 S N 2.441 118.004 115.700 -0.228 0.000 2.525 475 S HA -0.031 4.439 4.470 0.000 0.000 0.285 475 S C 1.397 175.790 174.600 -0.346 0.000 1.283 475 S CA -0.227 57.640 58.200 -0.555 0.000 1.072 475 S CB -0.067 62.840 63.200 -0.488 0.000 0.867 475 S HN 0.307 nan 8.310 nan 0.000 0.492 476 Q N 3.676 123.258 119.800 -0.363 0.000 2.137 476 Q HA -0.018 4.322 4.340 0.000 0.000 0.198 476 Q C 2.234 178.104 176.000 -0.218 0.000 0.960 476 Q CA 0.982 56.632 55.803 -0.255 0.000 0.847 476 Q CB -0.440 28.126 28.738 -0.287 0.000 0.915 476 Q HN 0.708 nan 8.270 nan 0.000 0.448 477 V N 1.141 120.894 119.914 -0.269 0.000 2.427 477 V HA -0.165 3.955 4.120 0.000 0.000 0.248 477 V C 2.022 178.038 176.094 -0.129 0.000 1.051 477 V CA 1.669 63.855 62.300 -0.191 0.000 1.048 477 V CB -0.728 30.971 31.823 -0.207 0.000 0.666 477 V HN 0.263 nan 8.190 nan 0.000 0.456 478 A N -0.508 122.227 122.820 -0.142 0.000 2.238 478 A HA 0.015 4.335 4.320 0.000 0.000 0.208 478 A C 2.088 179.642 177.584 -0.051 0.000 1.177 478 A CA 0.239 52.232 52.037 -0.073 0.000 0.804 478 A CB -0.463 18.502 19.000 -0.058 0.000 0.823 478 A HN 0.496 nan 8.150 nan 0.000 0.482 479 R N -0.443 120.022 120.500 -0.059 0.000 2.316 479 R HA 0.246 4.586 4.340 0.000 0.000 0.202 479 R C 1.100 177.396 176.300 -0.006 0.000 1.029 479 R CA 0.534 56.618 56.100 -0.026 0.000 1.018 479 R CB -0.213 30.075 30.300 -0.018 0.000 0.888 479 R HN 0.649 nan 8.270 nan 0.000 0.471 480 G N 0.816 109.611 108.800 -0.009 0.000 2.631 480 G HA2 -0.215 3.745 3.960 0.000 0.000 0.504 480 G HA3 -0.215 3.745 3.960 0.000 0.000 0.504 480 G C -1.144 173.764 174.900 0.013 0.000 1.306 480 G CA -0.853 44.249 45.100 0.004 0.000 0.897 480 G HN 0.228 nan 8.290 nan 0.000 0.520 481 E N -0.164 120.046 120.200 0.017 0.000 2.227 481 E HA 0.571 4.921 4.350 0.000 0.000 0.268 481 E C -1.321 175.295 176.600 0.027 0.000 0.907 481 E CA -0.811 55.602 56.400 0.022 0.000 0.786 481 E CB 2.383 32.092 29.700 0.015 0.000 1.191 481 E HN 0.461 nan 8.360 nan 0.000 0.411 482 D N 2.299 122.719 120.400 0.034 0.000 2.602 482 D HA 0.210 4.850 4.640 0.000 0.000 0.245 482 D C -2.243 174.078 176.300 0.036 0.000 1.325 482 D CA -2.287 51.734 54.000 0.034 0.000 0.952 482 D CB 1.861 42.685 40.800 0.040 0.000 1.317 482 D HN 0.005 nan 8.370 nan 0.000 0.577 483 P HA -0.026 nan 4.420 nan 0.000 0.221 483 P C 0.983 178.306 177.300 0.038 0.000 1.145 483 P CA 0.766 63.883 63.100 0.029 0.000 0.795 483 P CB 0.244 31.957 31.700 0.023 0.000 0.775 484 A N -1.114 121.729 122.820 0.039 0.000 2.172 484 A HA -0.074 4.247 4.320 0.000 0.000 0.216 484 A C 1.743 179.359 177.584 0.053 0.000 1.154 484 A CA 0.947 53.009 52.037 0.042 0.000 0.701 484 A CB -1.183 17.838 19.000 0.036 0.000 0.789 484 A HN 0.082 nan 8.150 nan 0.000 0.465 485 L N -0.225 121.036 121.223 0.063 0.000 2.558 485 L HA 0.096 4.436 4.340 0.000 0.000 0.225 485 L C 0.982 177.914 176.870 0.102 0.000 1.128 485 L CA 0.620 55.510 54.840 0.084 0.000 0.868 485 L CB -0.737 41.380 42.059 0.096 0.000 1.006 485 L HN 0.440 nan 8.230 nan 0.000 0.454 486 Q N 0.331 120.184 119.800 0.088 0.000 2.300 486 Q HA 0.078 4.418 4.340 0.000 0.000 0.280 486 Q C -0.017 176.047 176.000 0.106 0.000 1.033 486 Q CA 0.022 55.890 55.803 0.107 0.000 0.903 486 Q CB 0.828 29.612 28.738 0.077 0.000 1.195 486 Q HN 0.214 nan 8.270 nan 0.000 0.386 487 I N 1.792 122.438 120.570 0.126 0.000 2.741 487 I HA -0.123 4.047 4.170 0.000 0.000 0.288 487 I C 0.128 176.285 176.117 0.067 0.000 1.192 487 I CA 0.187 61.541 61.300 0.091 0.000 1.426 487 I CB 0.268 38.318 38.000 0.084 0.000 1.367 487 I HN 0.572 nan 8.210 nan 0.000 0.563 488 c N 7.375 126.005 118.600 0.050 0.000 2.356 488 c HA 0.239 4.809 4.570 0.000 0.000 0.324 488 c C 1.566 175.669 174.090 0.021 0.000 1.167 488 c CA -0.794 55.558 56.329 0.038 0.000 1.420 488 c CB 0.147 42.690 42.510 0.055 0.000 2.036 488 c HN 1.130 nan 8.230 nan 0.000 0.435 489 c N 3.137 121.720 118.600 -0.029 0.000 2.396 489 c HA -0.143 4.427 4.570 0.000 0.000 0.279 489 c C 1.225 175.332 174.090 0.028 0.000 1.229 489 c CA 1.360 57.648 56.329 -0.070 0.000 1.801 489 c CB -1.555 40.810 42.510 -0.241 0.000 2.050 489 c HN 0.875 nan 8.230 nan 0.000 0.491 490 H N -0.002 119.066 119.070 -0.002 0.000 2.418 490 H HA 0.278 4.834 4.556 0.001 0.000 0.238 490 H C -2.388 172.947 175.328 0.011 0.000 1.403 490 H CA -1.950 54.096 56.048 -0.004 0.000 1.419 490 H CB 0.426 30.184 29.762 -0.007 0.000 1.463 490 H HN 0.340 nan 8.280 nan 0.000 0.515 491 P HA -0.077 nan 4.420 nan 0.000 0.265 491 P C 1.299 178.640 177.300 0.067 0.000 1.187 491 P CA 1.078 64.225 63.100 0.078 0.000 0.766 491 P CB 0.789 32.522 31.700 0.056 0.000 0.820 492 G N 1.119 109.952 108.800 0.055 0.000 2.270 492 G HA2 -0.362 3.598 3.960 0.000 0.000 0.268 492 G HA3 -0.362 3.598 3.960 0.000 0.000 0.268 492 G C 0.602 175.533 174.900 0.050 0.000 0.982 492 G CA 0.375 45.501 45.100 0.043 0.000 0.628 492 G HN 0.940 nan 8.290 nan 0.000 0.544 493 c N 0.292 118.938 118.600 0.076 0.000 2.905 493 c HA 0.632 5.202 4.570 0.000 0.000 0.371 493 c C 0.983 175.113 174.090 0.067 0.000 1.299 493 c CA 0.675 57.054 56.329 0.083 0.000 2.016 493 c CB 0.093 42.696 42.510 0.156 0.000 2.596 493 c HN 1.696 nan 8.230 nan 0.000 0.747 494 T N -2.468 112.124 114.554 0.064 0.000 2.868 494 T HA 0.747 5.097 4.350 0.000 0.000 0.306 494 T C -3.013 171.720 174.700 0.056 0.000 1.224 494 T CA -0.830 61.301 62.100 0.052 0.000 1.012 494 T CB 0.920 69.809 68.868 0.036 0.000 1.221 494 T HN 0.868 nan 8.240 nan 0.000 0.499 495 P HA 0.348 nan 4.420 nan 0.000 0.276 495 P C -0.655 176.669 177.300 0.040 0.000 1.230 495 P CA -0.565 62.556 63.100 0.036 0.000 0.776 495 P CB 0.674 32.389 31.700 0.025 0.000 0.888 496 R N 3.524 124.046 120.500 0.036 0.000 2.340 496 R HA 0.225 4.565 4.340 0.000 0.000 0.300 496 R C -1.279 175.034 176.300 0.023 0.000 1.069 496 R CA -1.084 55.037 56.100 0.035 0.000 0.984 496 R CB 0.559 30.880 30.300 0.036 0.000 1.003 496 R HN 0.474 nan 8.270 nan 0.000 0.459 497 P HA 0.154 nan 4.420 nan 0.000 0.268 497 P C 0.563 177.871 177.300 0.014 0.000 1.248 497 P CA 0.118 63.231 63.100 0.021 0.000 0.851 497 P CB 0.572 32.282 31.700 0.016 0.000 1.238 498 A N 0.690 123.505 122.820 -0.008 0.000 2.070 498 A HA -0.176 4.144 4.320 0.000 0.000 0.220 498 A C 2.245 179.810 177.584 -0.031 0.000 1.159 498 A CA 1.648 53.651 52.037 -0.057 0.000 0.656 498 A CB -1.704 17.252 19.000 -0.074 0.000 0.800 498 A HN 0.494 nan 8.150 nan 0.000 0.453 499 c N -2.384 116.261 118.600 0.075 0.000 2.448 499 c HA 0.109 4.679 4.570 0.000 0.000 0.280 499 c C 1.299 175.544 174.090 0.258 0.000 1.398 499 c CA -0.770 55.683 56.329 0.206 0.000 1.774 499 c CB -2.310 40.302 42.510 0.170 0.000 1.888 499 c HN 0.542 nan 8.230 nan 0.000 0.519 500 c N 3.303 121.981 118.600 0.130 0.000 2.573 500 c HA 0.501 5.072 4.570 0.000 0.000 0.369 500 c C 0.110 174.255 174.090 0.092 0.000 1.205 500 c CA 0.172 56.537 56.329 0.059 0.000 1.535 500 c CB -2.791 39.745 42.510 0.043 0.000 2.159 500 c HN 0.918 nan 8.230 nan 0.000 0.558 501 H N -0.558 118.343 119.070 -0.282 0.000 3.153 501 H HA 0.484 5.040 4.556 0.001 0.000 0.323 501 H C -0.862 174.272 175.328 -0.325 0.000 1.096 501 H CA -0.870 55.037 56.048 -0.235 0.000 1.385 501 H CB -0.178 29.513 29.762 -0.118 0.000 2.027 501 H HN 0.557 nan 8.280 nan 0.000 0.499 502 c N 3.981 122.400 118.600 -0.301 0.000 3.296 502 c HA 0.561 5.131 4.570 0.000 0.000 0.317 502 c C -2.845 171.168 174.090 -0.128 0.000 1.040 502 c CA -1.236 54.924 56.329 -0.281 0.000 1.352 502 c CB 0.343 42.684 42.510 -0.282 0.000 1.797 502 c HN 0.828 nan 8.230 nan 0.000 0.552 503 P HA 0.000 nan 4.420 nan 0.000 0.216 503 P CA 0.000 63.075 63.100 -0.041 0.000 0.800 503 P CB 0.000 31.698 31.700 -0.004 0.000 0.726