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 2g7m_1_C DATA FIRST_RESID -1 DATA SEQUENCE SHMKKFTCVQ DIGDLKSALA ESFEIKKDRF KYVELGRNKT LLMIFFNSSL DATA SEQUENCE RTRLSTQKAA LNLGMNVIVL DINQGAWKLE TERGVIMDGD KEEHLLEAIP DATA SEQUENCE VMGCYCDIIG VRSFARFENR EYDYNEVIIN QFIQHSGRPV FSMEAATRHP DATA SEQUENCE LQSFADLITI EEYKKTARPK VVMTWAPHPR PLPQAVPNSF AEWMNATDYE DATA SEQUENCE FVITHPEGYE LDPKFVGNAR VEYDQMKAFE GADFIYAKNW AAYLGDNYGQ DATA SEQUENCE ILSTDRNWTV GDRQMAVTNN AYFMHCLPVR RNMIVTDDVI ESPQSIVIPE DATA SEQUENCE AANREISATV VLKRLLENLP 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 -1 S HA 0.000 nan 4.470 nan 0.000 0.327 -1 S C 0.000 174.685 174.600 0.142 0.000 1.055 -1 S CA 0.000 58.245 58.200 0.075 0.000 1.107 -1 S CB 0.000 63.238 63.200 0.064 0.000 0.593 0 H N 1.999 121.057 119.070 -0.020 0.000 2.768 0 H HA 0.478 5.034 4.556 -0.001 0.000 0.219 0 H C -0.060 175.267 175.328 -0.003 0.000 1.898 0 H CA 0.205 56.246 56.048 -0.012 0.000 1.313 0 H CB -0.383 29.372 29.762 -0.012 0.000 1.701 0 H HN 0.284 nan 8.280 nan 0.000 0.534 1 M N 1.575 121.200 119.600 0.043 0.000 2.146 1 M HA 0.115 4.595 4.480 -0.001 0.000 0.352 1 M C 0.291 176.608 176.300 0.028 0.000 1.343 1 M CA 0.164 55.491 55.300 0.045 0.000 1.115 1 M CB 0.405 33.029 32.600 0.040 0.000 1.657 1 M HN 0.328 nan 8.290 nan 0.000 0.471 2 K N 3.587 124.016 120.400 0.048 0.000 2.367 2 K HA 0.162 4.481 4.320 -0.001 0.000 0.195 2 K C -0.303 176.343 176.600 0.077 0.000 1.060 2 K CA 0.355 56.667 56.287 0.041 0.000 1.022 2 K CB 0.592 33.110 32.500 0.030 0.000 0.894 2 K HN 0.652 nan 8.250 nan 0.000 0.540 3 K N -0.761 119.707 120.400 0.114 0.000 2.614 3 K HA 0.331 4.650 4.320 -0.001 0.000 0.293 3 K C -1.747 175.015 176.600 0.271 0.000 1.045 3 K CA -0.941 55.446 56.287 0.166 0.000 0.880 3 K CB 1.080 33.642 32.500 0.104 0.000 1.552 3 K HN -0.128 nan 8.250 nan 0.000 0.404 4 F N 1.766 121.787 119.950 0.119 0.000 3.228 4 F HA 0.305 4.831 4.527 -0.002 0.000 0.385 4 F C -0.317 175.574 175.800 0.153 0.000 1.247 4 F CA -0.103 57.976 58.000 0.132 0.000 1.211 4 F CB 1.622 40.714 39.000 0.153 0.000 1.719 4 F HN 0.798 nan 8.300 nan 0.000 0.630 5 T N -1.113 113.300 114.554 -0.235 0.000 2.980 5 T HA 0.312 4.662 4.350 -0.001 0.000 0.252 5 T C 0.453 175.023 174.700 -0.217 0.000 0.962 5 T CA 0.683 62.676 62.100 -0.178 0.000 0.932 5 T CB -0.321 68.508 68.868 -0.066 0.000 1.188 5 T HN 0.575 nan 8.240 nan 0.000 0.500 6 C N -0.723 118.417 119.300 -0.267 0.000 3.154 6 C HA 0.846 5.305 4.460 -0.001 0.000 0.312 6 C C 1.682 176.500 174.990 -0.287 0.000 1.349 6 C CA -0.504 58.413 59.018 -0.168 0.000 1.518 6 C CB 1.145 28.821 27.740 -0.106 0.000 1.934 6 C HN 0.035 nan 8.230 nan 0.000 0.462 7 V N 1.284 120.961 119.914 -0.396 0.000 2.568 7 V HA -0.208 3.911 4.120 -0.001 0.000 0.253 7 V C 2.371 178.083 176.094 -0.636 0.000 1.072 7 V CA 2.571 64.278 62.300 -0.988 0.000 1.084 7 V CB -0.695 30.064 31.823 -1.774 0.000 0.676 7 V HN 0.987 nan 8.190 nan 0.000 0.469 8 Q N 0.109 119.673 119.800 -0.394 0.000 2.135 8 Q HA -0.196 4.143 4.340 -0.001 0.000 0.204 8 Q C 1.951 177.838 176.000 -0.189 0.000 0.981 8 Q CA 2.187 57.829 55.803 -0.268 0.000 0.856 8 Q CB -0.517 28.108 28.738 -0.187 0.000 0.902 8 Q HN 0.677 nan 8.270 nan 0.000 0.425 9 D N -0.314 120.000 120.400 -0.142 0.000 2.221 9 D HA -0.146 4.494 4.640 -0.001 0.000 0.204 9 D C 1.496 177.832 176.300 0.060 0.000 0.982 9 D CA 0.743 54.740 54.000 -0.006 0.000 0.857 9 D CB -0.021 40.822 40.800 0.073 0.000 0.934 9 D HN 0.220 nan 8.370 nan 0.000 0.475 10 I N -0.118 120.451 120.570 -0.002 0.000 3.059 10 I HA 0.046 4.215 4.170 -0.001 0.000 0.270 10 I C 1.422 177.469 176.117 -0.117 0.000 1.238 10 I CA 0.870 62.149 61.300 -0.034 0.000 1.478 10 I CB -0.245 37.661 38.000 -0.155 0.000 1.097 10 I HN 0.128 nan 8.210 nan 0.000 0.455 11 G N 0.459 109.172 108.800 -0.146 0.000 2.509 11 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.259 11 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.259 11 G C -0.217 174.591 174.900 -0.154 0.000 1.169 11 G CA 0.105 45.128 45.100 -0.128 0.000 0.953 11 G HN 0.503 nan 8.290 nan 0.000 0.563 12 D N 1.253 121.588 120.400 -0.108 0.000 2.382 12 D HA 0.368 5.007 4.640 -0.001 0.000 0.259 12 D C 1.983 178.229 176.300 -0.090 0.000 1.224 12 D CA 0.201 54.143 54.000 -0.096 0.000 0.894 12 D CB 0.246 41.010 40.800 -0.060 0.000 1.127 12 D HN 0.478 nan 8.370 nan 0.000 0.487 13 L N 3.744 124.899 121.223 -0.113 0.000 2.042 13 L HA -0.196 4.144 4.340 -0.001 0.000 0.210 13 L C 2.456 179.332 176.870 0.011 0.000 1.076 13 L CA 1.226 56.022 54.840 -0.074 0.000 0.749 13 L CB -0.497 41.502 42.059 -0.100 0.000 0.893 13 L HN 0.578 nan 8.230 nan 0.000 0.432 14 K N 0.554 120.956 120.400 0.004 0.000 2.001 14 K HA -0.238 4.081 4.320 -0.001 0.000 0.214 14 K C 2.330 178.970 176.600 0.067 0.000 1.050 14 K CA 2.279 58.591 56.287 0.042 0.000 0.934 14 K CB -0.109 32.402 32.500 0.019 0.000 0.718 14 K HN 0.379 nan 8.250 nan 0.000 0.443 15 S N 0.287 116.011 115.700 0.040 0.000 2.402 15 S HA -0.074 4.395 4.470 -0.001 0.000 0.229 15 S C 2.205 176.849 174.600 0.074 0.000 1.021 15 S CA 0.876 59.105 58.200 0.049 0.000 0.974 15 S CB -0.372 62.840 63.200 0.020 0.000 0.800 15 S HN 0.446 nan 8.310 nan 0.000 0.484 16 A N 2.405 125.266 122.820 0.068 0.000 1.858 16 A HA 0.095 4.414 4.320 -0.001 0.000 0.216 16 A C 2.326 180.049 177.584 0.232 0.000 1.190 16 A CA 1.534 53.643 52.037 0.119 0.000 0.617 16 A CB -0.998 18.012 19.000 0.017 0.000 0.827 16 A HN 0.522 nan 8.150 nan 0.000 0.443 17 L N -0.746 120.619 121.223 0.237 0.000 2.131 17 L HA -0.211 4.128 4.340 -0.001 0.000 0.210 17 L C 3.086 180.137 176.870 0.303 0.000 1.092 17 L CA 0.916 55.923 54.840 0.277 0.000 0.759 17 L CB -0.583 41.680 42.059 0.340 0.000 0.903 17 L HN 0.468 nan 8.230 nan 0.000 0.435 18 A N 0.178 123.140 122.820 0.238 0.000 1.865 18 A HA -0.246 4.073 4.320 -0.001 0.000 0.217 18 A C 2.183 179.874 177.584 0.179 0.000 1.191 18 A CA 1.861 54.027 52.037 0.214 0.000 0.623 18 A CB -0.527 18.552 19.000 0.131 0.000 0.826 18 A HN 0.455 nan 8.150 nan 0.000 0.444 19 E N -0.032 120.241 120.200 0.122 0.000 2.118 19 E HA -0.141 4.208 4.350 -0.001 0.000 0.195 19 E C 2.357 178.980 176.600 0.039 0.000 0.992 19 E CA 1.267 57.716 56.400 0.081 0.000 0.804 19 E CB -0.221 29.505 29.700 0.044 0.000 0.741 19 E HN 0.599 nan 8.360 nan 0.000 0.458 20 S N 0.840 116.530 115.700 -0.015 0.000 2.365 20 S HA -0.174 4.295 4.470 -0.001 0.000 0.221 20 S C 1.727 176.179 174.600 -0.248 0.000 1.037 20 S CA 1.384 59.444 58.200 -0.233 0.000 1.060 20 S CB -0.493 62.447 63.200 -0.433 0.000 0.974 20 S HN 0.224 nan 8.310 nan 0.000 0.427 21 F N 1.702 121.653 119.950 0.001 0.000 2.333 21 F HA -0.042 4.485 4.527 -0.001 0.000 0.300 21 F C 2.493 178.298 175.800 0.008 0.000 1.083 21 F CA 0.953 58.954 58.000 0.000 0.000 1.395 21 F CB -0.284 38.722 39.000 0.011 0.000 1.056 21 F HN 0.296 nan 8.300 nan 0.000 0.529 22 E N 1.109 121.411 120.200 0.171 0.000 2.051 22 E HA -0.210 4.139 4.350 -0.001 0.000 0.192 22 E C 2.225 178.876 176.600 0.085 0.000 0.991 22 E CA 1.529 58.006 56.400 0.128 0.000 0.799 22 E CB -0.196 29.588 29.700 0.141 0.000 0.748 22 E HN 0.428 nan 8.360 nan 0.000 0.449 23 I N 0.749 121.353 120.570 0.057 0.000 2.394 23 I HA -0.226 3.943 4.170 -0.001 0.000 0.251 23 I C 2.436 178.535 176.117 -0.030 0.000 1.136 23 I CA 0.862 62.170 61.300 0.014 0.000 1.425 23 I CB -0.191 37.796 38.000 -0.022 0.000 1.079 23 I HN 0.045 nan 8.210 nan 0.000 0.425 24 K N 0.852 121.231 120.400 -0.035 0.000 2.063 24 K HA -0.219 4.101 4.320 -0.001 0.000 0.208 24 K C 2.150 178.761 176.600 0.019 0.000 1.048 24 K CA 1.404 57.675 56.287 -0.027 0.000 0.928 24 K CB -0.092 32.407 32.500 -0.001 0.000 0.713 24 K HN 0.033 nan 8.250 nan 0.000 0.442 25 K N 0.760 121.190 120.400 0.050 0.000 2.062 25 K HA -0.067 4.253 4.320 -0.001 0.000 0.205 25 K C 0.398 177.017 176.600 0.031 0.000 1.051 25 K CA 1.029 57.345 56.287 0.049 0.000 0.941 25 K CB 0.169 32.705 32.500 0.061 0.000 0.719 25 K HN -0.027 nan 8.250 nan 0.000 0.440 26 D N -0.537 119.875 120.400 0.019 0.000 2.441 26 D HA 0.130 4.769 4.640 -0.001 0.000 0.287 26 D C 0.478 176.772 176.300 -0.009 0.000 1.198 26 D CA -0.183 53.823 54.000 0.010 0.000 0.894 26 D CB 0.497 41.286 40.800 -0.020 0.000 1.070 26 D HN -0.202 nan 8.370 nan 0.000 0.499 27 R N 1.447 121.942 120.500 -0.009 0.000 2.112 27 R HA -0.119 4.220 4.340 -0.001 0.000 0.242 27 R C 0.999 177.127 176.300 -0.287 0.000 1.137 27 R CA 1.675 57.681 56.100 -0.157 0.000 0.944 27 R CB -0.455 29.725 30.300 -0.201 0.000 0.857 27 R HN 0.312 nan 8.270 nan 0.000 0.435 28 F N 0.593 120.527 119.950 -0.027 0.000 2.660 28 F HA 0.282 4.808 4.527 -0.001 0.000 0.297 28 F C 1.620 177.373 175.800 -0.080 0.000 1.132 28 F CA -0.172 57.811 58.000 -0.028 0.000 1.372 28 F CB -0.075 38.912 39.000 -0.023 0.000 1.003 28 F HN 0.040 nan 8.300 nan 0.000 0.524 29 K N 0.236 120.602 120.400 -0.058 0.000 2.113 29 K HA -0.204 4.115 4.320 -0.001 0.000 0.208 29 K C 0.423 176.742 176.600 -0.468 0.000 1.047 29 K CA 1.757 57.855 56.287 -0.316 0.000 0.928 29 K CB -0.142 32.035 32.500 -0.539 0.000 0.716 29 K HN 0.373 nan 8.250 nan 0.000 0.446 30 Y N -0.537 119.777 120.300 0.025 0.000 2.751 30 Y HA 0.120 4.670 4.550 -0.001 0.000 0.289 30 Y C 1.065 176.985 175.900 0.034 0.000 1.110 30 Y CA -0.485 57.626 58.100 0.017 0.000 1.251 30 Y CB 0.739 39.192 38.460 -0.011 0.000 1.178 30 Y HN -0.143 nan 8.280 nan 0.000 0.540 31 V N 0.380 120.385 119.914 0.151 0.000 2.688 31 V HA -0.218 3.901 4.120 -0.001 0.000 0.256 31 V C 1.741 177.909 176.094 0.124 0.000 1.084 31 V CA 2.029 64.431 62.300 0.171 0.000 1.103 31 V CB 0.090 32.056 31.823 0.238 0.000 0.688 31 V HN 0.441 nan 8.190 nan 0.000 0.480 32 E N -0.812 119.451 120.200 0.106 0.000 2.400 32 E HA -0.002 4.347 4.350 -0.001 0.000 0.195 32 E C 1.868 178.519 176.600 0.085 0.000 1.012 32 E CA 0.378 56.827 56.400 0.082 0.000 0.875 32 E CB 0.032 29.770 29.700 0.064 0.000 0.859 32 E HN 0.535 nan 8.360 nan 0.000 0.498 33 L N 0.828 122.120 121.223 0.114 0.000 2.013 33 L HA -0.098 4.241 4.340 -0.001 0.000 0.212 33 L C 1.830 178.732 176.870 0.053 0.000 1.073 33 L CA 2.327 57.221 54.840 0.089 0.000 0.753 33 L CB -0.794 41.326 42.059 0.101 0.000 0.890 33 L HN 0.124 nan 8.230 nan 0.000 0.432 34 G N -0.967 107.864 108.800 0.053 0.000 3.314 34 G HA2 0.010 3.970 3.960 -0.001 0.000 0.238 34 G HA3 0.010 3.970 3.960 -0.001 0.000 0.238 34 G C 0.674 175.601 174.900 0.045 0.000 1.184 34 G CA -0.362 44.762 45.100 0.039 0.000 0.806 34 G HN 0.340 nan 8.290 nan 0.000 0.536 35 R N 0.814 121.343 120.500 0.048 0.000 2.583 35 R HA -0.058 4.281 4.340 -0.001 0.000 0.274 35 R C 0.327 176.650 176.300 0.039 0.000 0.998 35 R CA 0.200 56.327 56.100 0.045 0.000 1.081 35 R CB 0.053 30.378 30.300 0.042 0.000 0.940 35 R HN 0.206 nan 8.270 nan 0.000 0.413 36 N N 1.610 120.333 118.700 0.039 0.000 2.714 36 N HA -0.173 4.566 4.740 -0.001 0.000 0.250 36 N C -1.386 174.149 175.510 0.041 0.000 1.117 36 N CA 1.315 54.388 53.050 0.038 0.000 0.719 36 N CB -0.421 38.086 38.487 0.033 0.000 1.081 36 N HN 0.538 nan 8.380 nan 0.000 0.557 37 K N 0.695 121.121 120.400 0.044 0.000 2.323 37 K HA 0.442 4.761 4.320 -0.001 0.000 0.259 37 K C -0.030 176.603 176.600 0.056 0.000 0.947 37 K CA -0.240 56.075 56.287 0.046 0.000 0.819 37 K CB 1.604 34.128 32.500 0.040 0.000 1.109 37 K HN -0.092 nan 8.250 nan 0.000 0.429 38 T N 2.977 117.570 114.554 0.064 0.000 2.771 38 T HA 0.341 4.690 4.350 -0.001 0.000 0.281 38 T C -0.372 174.381 174.700 0.089 0.000 0.982 38 T CA -0.644 61.501 62.100 0.075 0.000 0.978 38 T CB 0.817 69.733 68.868 0.080 0.000 0.930 38 T HN 0.304 nan 8.240 nan 0.000 0.447 39 L N 4.663 125.944 121.223 0.096 0.000 2.295 39 L HA 0.732 5.072 4.340 -0.001 0.000 0.285 39 L C -1.121 175.814 176.870 0.107 0.000 1.035 39 L CA -0.876 54.037 54.840 0.122 0.000 0.806 39 L CB 0.995 43.144 42.059 0.150 0.000 1.214 39 L HN 0.529 nan 8.230 nan 0.000 0.426 40 L N 6.114 127.391 121.223 0.091 0.000 2.294 40 L HA 0.575 4.914 4.340 -0.001 0.000 0.283 40 L C -0.900 175.965 176.870 -0.008 0.000 1.015 40 L CA -0.200 54.676 54.840 0.061 0.000 0.831 40 L CB 1.129 43.233 42.059 0.075 0.000 1.217 40 L HN 0.719 nan 8.230 nan 0.000 0.420 41 M N 6.527 126.130 119.600 0.005 0.000 2.113 41 M HA 0.468 4.948 4.480 -0.001 0.000 0.352 41 M C -0.848 175.374 176.300 -0.130 0.000 1.170 41 M CA -0.008 55.237 55.300 -0.092 0.000 1.053 41 M CB 1.154 33.807 32.600 0.088 0.000 1.601 41 M HN 0.459 nan 8.290 nan 0.000 0.459 42 I N 3.440 123.799 120.570 -0.351 0.000 2.378 42 I HA 0.437 4.606 4.170 -0.001 0.000 0.291 42 I C -1.141 174.644 176.117 -0.553 0.000 0.992 42 I CA -0.446 60.660 61.300 -0.324 0.000 1.154 42 I CB 1.137 38.980 38.000 -0.262 0.000 1.315 42 I HN 0.501 nan 8.210 nan 0.000 0.448 43 F N 5.084 124.861 119.950 -0.289 0.000 2.467 43 F HA 0.413 4.939 4.527 -0.001 0.000 0.336 43 F C 0.306 175.876 175.800 -0.384 0.000 1.123 43 F CA -0.314 57.534 58.000 -0.253 0.000 0.964 43 F CB 1.322 40.215 39.000 -0.179 0.000 1.136 43 F HN 0.332 nan 8.300 nan 0.000 0.447 44 F N 0.818 120.752 119.950 -0.026 0.000 2.720 44 F HA 0.250 4.776 4.527 -0.002 0.000 0.301 44 F C 0.211 175.927 175.800 -0.139 0.000 1.103 44 F CA -0.220 57.745 58.000 -0.058 0.000 1.291 44 F CB 0.131 39.090 39.000 -0.068 0.000 1.086 44 F HN 0.351 nan 8.300 nan 0.000 0.592 45 N N -1.882 116.777 118.700 -0.069 0.000 2.571 45 N HA 0.333 5.073 4.740 -0.001 0.000 0.273 45 N C -0.764 174.609 175.510 -0.228 0.000 1.340 45 N CA -0.699 52.145 53.050 -0.344 0.000 0.789 45 N CB 1.115 38.915 38.487 -1.144 0.000 1.514 45 N HN -0.313 nan 8.380 nan 0.000 0.499 46 S N -0.047 115.502 115.700 -0.252 0.000 2.580 46 S HA 0.478 4.947 4.470 -0.001 0.000 0.266 46 S C -0.208 174.336 174.600 -0.094 0.000 1.354 46 S CA -0.119 57.990 58.200 -0.152 0.000 1.008 46 S CB 0.328 63.480 63.200 -0.080 0.000 0.898 46 S HN 0.518 nan 8.310 nan 0.000 0.555 47 S N 0.625 116.251 115.700 -0.123 0.000 2.602 47 S HA 0.297 4.767 4.470 -0.001 0.000 0.301 47 S C -0.353 174.181 174.600 -0.110 0.000 1.091 47 S CA -0.754 57.414 58.200 -0.053 0.000 0.895 47 S CB 0.404 63.617 63.200 0.022 0.000 1.090 47 S HN 0.606 nan 8.310 nan 0.000 0.449 48 L N 4.078 125.293 121.223 -0.013 0.000 2.590 48 L HA 0.398 4.738 4.340 -0.001 0.000 0.181 48 L C 2.198 179.077 176.870 0.014 0.000 1.134 48 L CA 0.402 55.228 54.840 -0.022 0.000 0.850 48 L CB -0.427 41.632 42.059 -0.000 0.000 1.172 48 L HN 0.810 nan 8.230 nan 0.000 0.498 49 R N -0.333 120.201 120.500 0.057 0.000 2.070 49 R HA -0.142 4.198 4.340 -0.001 0.000 0.232 49 R C 2.063 178.429 176.300 0.110 0.000 1.138 49 R CA 2.425 58.568 56.100 0.072 0.000 0.936 49 R CB -0.707 29.641 30.300 0.079 0.000 0.839 49 R HN 0.362 nan 8.270 nan 0.000 0.429 50 T N 0.583 115.249 114.554 0.187 0.000 2.746 50 T HA -0.195 4.154 4.350 -0.001 0.000 0.267 50 T C 1.748 176.632 174.700 0.307 0.000 1.039 50 T CA 1.557 63.822 62.100 0.276 0.000 1.142 50 T CB -0.237 68.866 68.868 0.392 0.000 0.866 50 T HN 0.304 nan 8.240 nan 0.000 0.444 51 R N 0.256 120.892 120.500 0.226 0.000 2.083 51 R HA -0.105 4.235 4.340 -0.001 0.000 0.237 51 R C 2.126 178.476 176.300 0.083 0.000 1.137 51 R CA 1.400 57.553 56.100 0.087 0.000 0.951 51 R CB -0.382 29.724 30.300 -0.323 0.000 0.851 51 R HN 0.227 nan 8.270 nan 0.000 0.434 52 L N 0.669 121.918 121.223 0.042 0.000 2.034 52 L HA -0.083 4.256 4.340 -0.001 0.000 0.203 52 L C 2.731 179.630 176.870 0.047 0.000 1.074 52 L CA 2.133 56.993 54.840 0.032 0.000 0.748 52 L CB -0.947 41.119 42.059 0.011 0.000 0.905 52 L HN 0.378 nan 8.230 nan 0.000 0.439 53 S N -1.837 113.892 115.700 0.049 0.000 2.374 53 S HA -0.244 4.225 4.470 -0.001 0.000 0.227 53 S C 1.928 176.545 174.600 0.030 0.000 1.037 53 S CA 1.988 60.203 58.200 0.024 0.000 1.024 53 S CB -1.077 62.132 63.200 0.015 0.000 0.861 53 S HN 0.473 nan 8.310 nan 0.000 0.456 54 T N 2.129 116.738 114.554 0.091 0.000 2.867 54 T HA -0.049 4.300 4.350 -0.001 0.000 0.268 54 T C 2.018 176.770 174.700 0.087 0.000 1.057 54 T CA 1.504 63.666 62.100 0.105 0.000 1.136 54 T CB -0.347 68.659 68.868 0.230 0.000 0.874 54 T HN 0.574 nan 8.240 nan 0.000 0.466 55 Q N 0.529 120.385 119.800 0.093 0.000 2.079 55 Q HA -0.074 4.265 4.340 -0.001 0.000 0.200 55 Q C 2.386 178.412 176.000 0.042 0.000 0.974 55 Q CA 1.095 56.943 55.803 0.075 0.000 0.840 55 Q CB -0.155 28.625 28.738 0.071 0.000 0.898 55 Q HN 0.225 nan 8.270 nan 0.000 0.430 56 K N 1.281 121.695 120.400 0.023 0.000 2.026 56 K HA -0.124 4.195 4.320 -0.001 0.000 0.208 56 K C 1.858 178.428 176.600 -0.050 0.000 1.048 56 K CA 1.515 57.801 56.287 -0.002 0.000 0.929 56 K CB -0.586 31.905 32.500 -0.015 0.000 0.713 56 K HN 0.176 nan 8.250 nan 0.000 0.439 57 A N 0.669 123.450 122.820 -0.065 0.000 1.873 57 A HA -0.144 4.176 4.320 -0.001 0.000 0.218 57 A C 2.421 179.953 177.584 -0.086 0.000 1.193 57 A CA 2.518 54.489 52.037 -0.111 0.000 0.629 57 A CB -1.319 17.605 19.000 -0.128 0.000 0.826 57 A HN 0.448 nan 8.150 nan 0.000 0.447 58 A N -0.521 122.278 122.820 -0.034 0.000 1.940 58 A HA -0.064 4.255 4.320 -0.001 0.000 0.219 58 A C 2.167 179.761 177.584 0.016 0.000 1.176 58 A CA 1.595 53.631 52.037 -0.002 0.000 0.631 58 A CB -0.604 18.422 19.000 0.043 0.000 0.814 58 A HN 0.500 nan 8.150 nan 0.000 0.446 59 L N -0.395 120.845 121.223 0.028 0.000 2.141 59 L HA -0.155 4.184 4.340 -0.001 0.000 0.209 59 L C 2.081 179.006 176.870 0.092 0.000 1.094 59 L CA 0.868 55.756 54.840 0.080 0.000 0.763 59 L CB -0.617 41.510 42.059 0.113 0.000 0.908 59 L HN 0.340 nan 8.230 nan 0.000 0.437 60 N N 0.449 119.105 118.700 -0.073 0.000 2.289 60 N HA -0.119 4.620 4.740 -0.001 0.000 0.184 60 N C 1.506 176.982 175.510 -0.057 0.000 1.016 60 N CA 1.192 54.065 53.050 -0.296 0.000 0.872 60 N CB -0.110 38.114 38.487 -0.437 0.000 0.973 60 N HN 0.357 nan 8.380 nan 0.000 0.433 61 L N -0.457 120.765 121.223 -0.002 0.000 2.685 61 L HA 0.265 4.604 4.340 -0.001 0.000 0.233 61 L C 0.982 177.897 176.870 0.075 0.000 1.173 61 L CA -0.187 54.681 54.840 0.046 0.000 0.961 61 L CB -0.255 41.807 42.059 0.005 0.000 1.217 61 L HN 0.073 nan 8.230 nan 0.000 0.478 62 G N 0.595 109.456 108.800 0.101 0.000 2.225 62 G HA2 -0.317 3.642 3.960 -0.001 0.000 0.267 62 G HA3 -0.317 3.642 3.960 -0.001 0.000 0.267 62 G C 0.317 175.259 174.900 0.070 0.000 1.024 62 G CA 0.378 45.537 45.100 0.097 0.000 0.784 62 G HN 0.314 nan 8.290 nan 0.000 0.507 63 M N -0.614 119.022 119.600 0.061 0.000 2.245 63 M HA 0.269 4.748 4.480 -0.001 0.000 0.292 63 M C 0.812 177.146 176.300 0.057 0.000 1.176 63 M CA -0.279 55.054 55.300 0.054 0.000 1.035 63 M CB 0.593 33.222 32.600 0.049 0.000 1.440 63 M HN 0.227 nan 8.290 nan 0.000 0.494 64 N N -0.540 118.195 118.700 0.057 0.000 2.473 64 N HA 0.483 5.222 4.740 -0.001 0.000 0.291 64 N C -1.573 173.976 175.510 0.064 0.000 1.083 64 N CA -0.598 52.486 53.050 0.056 0.000 0.951 64 N CB 1.696 40.215 38.487 0.053 0.000 1.164 64 N HN 0.194 nan 8.380 nan 0.000 0.480 65 V N 3.249 123.201 119.914 0.062 0.000 2.588 65 V HA 0.466 4.585 4.120 -0.001 0.000 0.304 65 V C -0.386 175.746 176.094 0.065 0.000 1.042 65 V CA -0.592 61.751 62.300 0.072 0.000 0.877 65 V CB 1.607 33.474 31.823 0.074 0.000 0.996 65 V HN 0.573 nan 8.190 nan 0.000 0.425 66 I N 4.803 125.416 120.570 0.072 0.000 2.439 66 I HA 0.393 4.562 4.170 -0.001 0.000 0.283 66 I C -0.688 175.473 176.117 0.073 0.000 1.023 66 I CA -0.681 60.656 61.300 0.062 0.000 1.100 66 I CB 2.052 40.089 38.000 0.062 0.000 1.238 66 I HN 0.270 nan 8.210 nan 0.000 0.445 67 V N 6.918 126.876 119.914 0.072 0.000 2.407 67 V HA 0.332 4.451 4.120 -0.001 0.000 0.278 67 V C -0.083 176.054 176.094 0.072 0.000 1.037 67 V CA -0.469 61.894 62.300 0.105 0.000 0.900 67 V CB 1.913 33.799 31.823 0.105 0.000 0.983 67 V HN 0.447 nan 8.190 nan 0.000 0.459 68 L N 4.772 126.044 121.223 0.082 0.000 2.319 68 L HA 0.563 4.903 4.340 -0.001 0.000 0.281 68 L C -0.672 176.209 176.870 0.020 0.000 1.005 68 L CA -0.158 54.698 54.840 0.027 0.000 0.828 68 L CB 1.727 43.793 42.059 0.011 0.000 1.227 68 L HN 0.584 nan 8.230 nan 0.000 0.415 69 D N 6.161 126.549 120.400 -0.021 0.000 2.564 69 D HA 0.241 4.880 4.640 -0.001 0.000 0.226 69 D C 0.682 176.915 176.300 -0.112 0.000 1.149 69 D CA -0.019 53.950 54.000 -0.053 0.000 0.994 69 D CB 0.788 41.542 40.800 -0.076 0.000 1.029 69 D HN 0.516 nan 8.370 nan 0.000 0.517 70 I N 1.892 122.351 120.570 -0.185 0.000 2.932 70 I HA -0.250 3.919 4.170 -0.001 0.000 0.295 70 I C 1.005 177.030 176.117 -0.153 0.000 1.227 70 I CA 0.787 61.966 61.300 -0.202 0.000 1.429 70 I CB 0.346 38.115 38.000 -0.384 0.000 1.339 70 I HN 0.411 nan 8.210 nan 0.000 0.589 71 N N 2.540 121.188 118.700 -0.086 0.000 2.884 71 N HA -0.213 4.526 4.740 -0.001 0.000 0.193 71 N C 0.745 176.212 175.510 -0.071 0.000 1.204 71 N CA 1.613 54.637 53.050 -0.043 0.000 1.296 71 N CB -0.726 37.750 38.487 -0.019 0.000 0.951 71 N HN 0.691 nan 8.380 nan 0.000 0.548 72 Q N -0.243 119.500 119.800 -0.095 0.000 2.252 72 Q HA 0.257 4.596 4.340 -0.001 0.000 0.195 72 Q C 2.108 178.024 176.000 -0.141 0.000 0.974 72 Q CA 1.237 56.979 55.803 -0.102 0.000 0.846 72 Q CB -0.104 28.580 28.738 -0.091 0.000 0.943 72 Q HN 0.392 nan 8.270 nan 0.000 0.516 73 G N 0.236 108.948 108.800 -0.147 0.000 2.603 73 G HA2 0.296 4.255 3.960 -0.001 0.000 0.214 73 G HA3 0.296 4.255 3.960 -0.001 0.000 0.214 73 G C 0.487 175.218 174.900 -0.282 0.000 1.140 73 G CA 0.612 45.601 45.100 -0.184 0.000 0.800 73 G HN 0.344 nan 8.290 nan 0.000 0.533 74 A N -0.451 122.215 122.820 -0.256 0.000 3.322 74 A HA 0.732 5.052 4.320 -0.001 0.000 0.201 74 A C -1.248 176.073 177.584 -0.439 0.000 1.668 74 A CA -0.837 50.997 52.037 -0.338 0.000 0.861 74 A CB 0.334 19.287 19.000 -0.078 0.000 1.769 74 A HN 0.243 nan 8.150 nan 0.000 0.578 75 W N 0.604 121.915 121.300 0.018 0.000 2.478 75 W HA 0.555 5.215 4.660 -0.000 0.000 0.318 75 W C -0.251 176.289 176.519 0.036 0.000 1.062 75 W CA -0.548 56.812 57.345 0.025 0.000 1.210 75 W CB 0.866 30.344 29.460 0.030 0.000 1.325 75 W HN 0.442 nan 8.180 nan 0.000 0.496 76 K N 3.217 123.760 120.400 0.238 0.000 2.484 76 K HA 0.126 4.445 4.320 -0.001 0.000 0.280 76 K C -0.207 176.498 176.600 0.175 0.000 1.013 76 K CA -0.018 56.371 56.287 0.170 0.000 1.029 76 K CB 0.343 32.921 32.500 0.130 0.000 0.902 76 K HN 0.350 nan 8.250 nan 0.000 0.481 77 L N 2.087 123.407 121.223 0.163 0.000 2.357 77 L HA 0.228 4.567 4.340 -0.001 0.000 0.273 77 L C 0.284 177.158 176.870 0.008 0.000 1.080 77 L CA -0.791 54.112 54.840 0.106 0.000 0.803 77 L CB 0.980 43.133 42.059 0.156 0.000 1.174 77 L HN 0.571 nan 8.230 nan 0.000 0.443 78 E N 0.554 120.683 120.200 -0.118 0.000 2.081 78 E HA 0.097 4.446 4.350 -0.001 0.000 0.281 78 E C 0.427 176.738 176.600 -0.483 0.000 0.986 78 E CA -0.175 56.092 56.400 -0.222 0.000 0.796 78 E CB 1.557 31.149 29.700 -0.180 0.000 1.085 78 E HN 0.567 nan 8.360 nan 0.000 0.398 79 T N 2.539 116.948 114.554 -0.241 0.000 2.937 79 T HA -0.017 4.332 4.350 -0.001 0.000 0.260 79 T C 0.405 175.050 174.700 -0.091 0.000 1.051 79 T CA 0.548 62.550 62.100 -0.165 0.000 1.141 79 T CB -0.103 68.749 68.868 -0.028 0.000 0.879 79 T HN 0.548 nan 8.240 nan 0.000 0.459 80 E N 1.406 121.576 120.200 -0.050 0.000 2.354 80 E HA 0.192 4.542 4.350 -0.001 0.000 0.269 80 E C -0.082 176.674 176.600 0.259 0.000 1.036 80 E CA -0.534 55.907 56.400 0.068 0.000 0.876 80 E CB 0.622 30.335 29.700 0.022 0.000 1.009 80 E HN 0.279 nan 8.360 nan 0.000 0.416 81 R N 2.199 122.835 120.500 0.226 0.000 2.457 81 R HA 0.348 4.687 4.340 -0.001 0.000 0.284 81 R C 0.353 176.703 176.300 0.083 0.000 1.024 81 R CA 0.705 56.917 56.100 0.188 0.000 1.025 81 R CB 0.881 31.233 30.300 0.088 0.000 1.063 81 R HN 0.777 nan 8.270 nan 0.000 0.493 82 G N 1.505 110.318 108.800 0.022 0.000 2.147 82 G HA2 -0.224 3.735 3.960 -0.001 0.000 0.244 82 G HA3 -0.224 3.735 3.960 -0.001 0.000 0.244 82 G C -0.312 174.604 174.900 0.025 0.000 1.005 82 G CA 0.232 45.336 45.100 0.007 0.000 0.713 82 G HN 0.429 nan 8.290 nan 0.000 0.515 83 V N 0.717 120.664 119.914 0.054 0.000 2.837 83 V HA 0.572 4.691 4.120 -0.001 0.000 0.310 83 V C 1.060 177.179 176.094 0.041 0.000 1.059 83 V CA -0.846 61.483 62.300 0.050 0.000 1.004 83 V CB 1.892 33.755 31.823 0.066 0.000 1.045 83 V HN 0.265 nan 8.190 nan 0.000 0.465 84 I N 3.269 123.856 120.570 0.028 0.000 2.301 84 I HA 0.231 4.400 4.170 -0.001 0.000 0.292 84 I C 0.515 176.648 176.117 0.027 0.000 1.046 84 I CA 0.049 61.361 61.300 0.020 0.000 1.282 84 I CB 0.895 38.902 38.000 0.011 0.000 1.409 84 I HN 0.540 nan 8.210 nan 0.000 0.484 85 M N 6.138 125.758 119.600 0.033 0.000 3.705 85 M HA -0.006 4.474 4.480 -0.001 0.000 0.191 85 M C -0.014 176.296 176.300 0.017 0.000 1.570 85 M CA 0.167 55.487 55.300 0.034 0.000 1.714 85 M CB -0.748 31.879 32.600 0.046 0.000 1.148 85 M HN 0.460 nan 8.290 nan 0.000 0.547 86 D N -0.666 119.744 120.400 0.016 0.000 2.895 86 D HA 0.353 4.993 4.640 -0.001 0.000 0.258 86 D C 0.438 176.747 176.300 0.014 0.000 1.311 86 D CA -0.210 53.796 54.000 0.011 0.000 0.843 86 D CB 0.244 41.049 40.800 0.008 0.000 1.055 86 D HN 0.419 nan 8.370 nan 0.000 0.486 87 G N -0.096 108.716 108.800 0.019 0.000 3.000 87 G HA2 0.103 4.062 3.960 -0.001 0.000 0.170 87 G HA3 0.103 4.062 3.960 -0.001 0.000 0.170 87 G C 0.236 175.155 174.900 0.031 0.000 1.160 87 G CA -0.098 45.016 45.100 0.023 0.000 0.945 87 G HN 0.077 nan 8.290 nan 0.000 0.593 88 D N 0.207 120.628 120.400 0.035 0.000 2.126 88 D HA -0.060 4.580 4.640 -0.001 0.000 0.190 88 D C 0.734 177.071 176.300 0.062 0.000 1.001 88 D CA 1.197 55.225 54.000 0.046 0.000 0.841 88 D CB 0.017 40.843 40.800 0.042 0.000 0.949 88 D HN 0.097 nan 8.370 nan 0.000 0.446 89 K N 0.478 120.910 120.400 0.054 0.000 2.218 89 K HA 0.177 4.497 4.320 -0.001 0.000 0.276 89 K C 0.922 177.552 176.600 0.051 0.000 1.022 89 K CA -0.014 56.313 56.287 0.066 0.000 0.946 89 K CB 1.054 33.581 32.500 0.046 0.000 1.000 89 K HN -0.050 nan 8.250 nan 0.000 0.468 90 E N 1.022 121.260 120.200 0.064 0.000 2.340 90 E HA 0.015 4.364 4.350 -0.001 0.000 0.198 90 E C -0.379 176.163 176.600 -0.097 0.000 0.961 90 E CA 0.475 56.846 56.400 -0.048 0.000 0.905 90 E CB 0.634 30.262 29.700 -0.120 0.000 0.884 90 E HN 0.629 nan 8.360 nan 0.000 0.491 91 E N -0.090 120.111 120.200 0.001 0.000 2.288 91 E HA 0.169 4.518 4.350 -0.001 0.000 0.268 91 E C -1.069 175.577 176.600 0.076 0.000 0.885 91 E CA -0.563 55.848 56.400 0.018 0.000 0.767 91 E CB 1.533 31.260 29.700 0.045 0.000 1.220 91 E HN -0.053 nan 8.360 nan 0.000 0.427 92 H N 4.018 123.094 119.070 0.009 0.000 2.463 92 H HA 0.141 4.697 4.556 -0.001 0.000 0.332 92 H C 0.810 176.153 175.328 0.026 0.000 1.127 92 H CA -0.396 55.663 56.048 0.019 0.000 1.238 92 H CB 1.838 31.596 29.762 -0.006 0.000 1.478 92 H HN 0.616 nan 8.280 nan 0.000 0.499 93 L N 4.800 126.002 121.223 -0.035 0.000 2.129 93 L HA -0.185 4.155 4.340 -0.001 0.000 0.212 93 L C 1.998 178.960 176.870 0.153 0.000 1.087 93 L CA 1.476 56.359 54.840 0.071 0.000 0.757 93 L CB -0.619 41.442 42.059 0.003 0.000 0.896 93 L HN 0.721 nan 8.230 nan 0.000 0.434 94 L N -0.759 120.702 121.223 0.398 0.000 2.127 94 L HA -0.171 4.168 4.340 -0.001 0.000 0.211 94 L C 2.433 179.297 176.870 -0.010 0.000 1.089 94 L CA 1.056 55.952 54.840 0.094 0.000 0.757 94 L CB -0.613 41.397 42.059 -0.081 0.000 0.899 94 L HN 0.378 nan 8.230 nan 0.000 0.434 95 E N -0.079 120.143 120.200 0.037 0.000 2.127 95 E HA 0.003 4.352 4.350 -0.001 0.000 0.191 95 E C 2.316 178.918 176.600 0.002 0.000 0.964 95 E CA 1.003 57.401 56.400 -0.004 0.000 0.832 95 E CB -0.425 29.279 29.700 0.006 0.000 0.790 95 E HN 0.332 nan 8.360 nan 0.000 0.465 96 A N 2.366 125.208 122.820 0.037 0.000 1.869 96 A HA -0.218 4.101 4.320 -0.001 0.000 0.218 96 A C 2.408 179.977 177.584 -0.025 0.000 1.203 96 A CA 1.772 53.836 52.037 0.044 0.000 0.638 96 A CB -1.001 18.054 19.000 0.091 0.000 0.831 96 A HN 0.183 nan 8.150 nan 0.000 0.450 97 I N -0.053 120.434 120.570 -0.138 0.000 2.091 97 I HA -0.216 3.953 4.170 -0.001 0.000 0.239 97 I C -0.444 175.590 176.117 -0.138 0.000 1.061 97 I CA 1.921 63.042 61.300 -0.298 0.000 1.317 97 I CB -1.352 36.352 38.000 -0.494 0.000 1.031 97 I HN 0.231 nan 8.210 nan 0.000 0.401 98 P HA -0.133 nan 4.420 nan 0.000 0.215 98 P C 1.977 179.216 177.300 -0.103 0.000 1.153 98 P CA 1.264 64.322 63.100 -0.070 0.000 0.853 98 P CB 0.003 31.665 31.700 -0.065 0.000 0.788 99 V N -0.751 119.111 119.914 -0.087 0.000 2.287 99 V HA -0.300 3.820 4.120 -0.001 0.000 0.248 99 V C 2.409 178.383 176.094 -0.200 0.000 1.053 99 V CA 2.092 64.321 62.300 -0.118 0.000 1.027 99 V CB -1.233 30.597 31.823 0.011 0.000 0.646 99 V HN 0.106 nan 8.190 nan 0.000 0.447 100 M N 0.347 119.921 119.600 -0.044 0.000 2.149 100 M HA -0.108 4.371 4.480 -0.001 0.000 0.261 100 M C 2.285 178.558 176.300 -0.046 0.000 1.064 100 M CA 2.108 57.429 55.300 0.035 0.000 1.102 100 M CB -0.986 31.687 32.600 0.121 0.000 1.369 100 M HN 0.486 nan 8.290 nan 0.000 0.408 101 G N -0.503 108.254 108.800 -0.071 0.000 2.470 101 G HA2 -0.194 3.765 3.960 -0.001 0.000 0.220 101 G HA3 -0.194 3.765 3.960 -0.001 0.000 0.220 101 G C 1.437 176.249 174.900 -0.147 0.000 1.121 101 G CA 0.819 45.884 45.100 -0.059 0.000 0.766 101 G HN 0.485 nan 8.290 nan 0.000 0.553 102 C N -0.612 118.475 119.300 -0.355 0.000 2.419 102 C HA 0.027 4.486 4.460 -0.001 0.000 0.281 102 C C 1.768 176.511 174.990 -0.410 0.000 1.336 102 C CA 0.363 59.083 59.018 -0.498 0.000 1.770 102 C CB -1.059 26.168 27.740 -0.854 0.000 1.929 102 C HN 0.630 nan 8.230 nan 0.000 0.509 103 Y N -0.531 119.794 120.300 0.041 0.000 2.555 103 Y HA 0.305 4.854 4.550 -0.001 0.000 0.259 103 Y C 1.110 177.035 175.900 0.042 0.000 1.179 103 Y CA -0.806 57.318 58.100 0.039 0.000 1.230 103 Y CB -0.231 38.253 38.460 0.039 0.000 1.146 103 Y HN 0.465 nan 8.280 nan 0.000 0.526 104 C N -3.014 116.363 119.300 0.129 0.000 3.318 104 C HA 0.503 4.962 4.460 -0.001 0.000 0.329 104 C C 0.432 175.466 174.990 0.075 0.000 1.449 104 C CA -0.677 58.405 59.018 0.107 0.000 1.397 104 C CB 1.925 29.730 27.740 0.109 0.000 1.810 104 C HN 0.258 nan 8.230 nan 0.000 0.449 105 D N -0.067 120.378 120.400 0.076 0.000 2.431 105 D HA 0.321 4.960 4.640 -0.001 0.000 0.227 105 D C 0.138 176.483 176.300 0.075 0.000 1.030 105 D CA 1.046 55.084 54.000 0.064 0.000 0.897 105 D CB 0.742 41.576 40.800 0.057 0.000 1.058 105 D HN 0.594 nan 8.370 nan 0.000 0.500 106 I N 1.098 121.728 120.570 0.099 0.000 2.686 106 I HA 0.361 4.531 4.170 -0.001 0.000 0.295 106 I C -0.862 175.331 176.117 0.126 0.000 1.114 106 I CA -0.751 60.632 61.300 0.138 0.000 1.038 106 I CB 3.151 41.263 38.000 0.187 0.000 1.238 106 I HN -0.329 nan 8.210 nan 0.000 0.420 107 I N 3.108 123.725 120.570 0.080 0.000 2.509 107 I HA 0.560 4.729 4.170 -0.001 0.000 0.293 107 I C 0.104 175.935 176.117 -0.477 0.000 1.020 107 I CA -0.500 60.755 61.300 -0.076 0.000 1.088 107 I CB 2.211 40.215 38.000 0.007 0.000 1.267 107 I HN 0.657 nan 8.210 nan 0.000 0.430 108 G N 5.292 113.646 108.800 -0.743 0.000 2.478 108 G HA2 0.653 4.613 3.960 -0.001 0.000 0.317 108 G HA3 0.653 4.613 3.960 -0.001 0.000 0.317 108 G C -1.111 173.287 174.900 -0.836 0.000 1.259 108 G CA -0.346 43.878 45.100 -1.459 0.000 0.933 108 G HN 0.330 nan 8.290 nan 0.000 0.478 109 V N 1.902 121.359 119.914 -0.763 0.000 2.656 109 V HA 0.622 4.741 4.120 -0.001 0.000 0.307 109 V C -0.066 175.745 176.094 -0.470 0.000 1.051 109 V CA -1.094 60.820 62.300 -0.643 0.000 0.893 109 V CB 1.882 33.210 31.823 -0.825 0.000 0.999 109 V HN 0.861 nan 8.190 nan 0.000 0.426 110 R N 2.378 122.636 120.500 -0.405 0.000 2.393 110 R HA 0.707 5.046 4.340 -0.001 0.000 0.315 110 R C -0.815 175.476 176.300 -0.014 0.000 0.952 110 R CA -0.098 55.872 56.100 -0.216 0.000 0.842 110 R CB 1.566 31.717 30.300 -0.249 0.000 1.163 110 R HN 0.771 nan 8.270 nan 0.000 0.450 111 S N 5.880 121.583 115.700 0.005 0.000 2.461 111 S HA 0.340 4.809 4.470 -0.001 0.000 0.216 111 S C -0.892 173.779 174.600 0.119 0.000 1.201 111 S CA -0.710 57.485 58.200 -0.009 0.000 1.171 111 S CB 0.071 63.131 63.200 -0.234 0.000 1.169 111 S HN 0.447 nan 8.310 nan 0.000 0.456 112 F N 2.719 122.609 119.950 -0.100 0.000 2.589 112 F HA 0.368 4.895 4.527 -0.001 0.000 0.352 112 F C 1.418 177.126 175.800 -0.154 0.000 1.168 112 F CA -0.680 57.236 58.000 -0.140 0.000 1.353 112 F CB 0.039 38.964 39.000 -0.124 0.000 1.116 112 F HN 0.656 nan 8.300 nan 0.000 0.608 113 A N 3.952 126.735 122.820 -0.061 0.000 2.498 113 A HA 0.169 4.488 4.320 -0.001 0.000 0.239 113 A C 1.258 178.783 177.584 -0.098 0.000 1.068 113 A CA -0.300 51.683 52.037 -0.090 0.000 0.766 113 A CB 0.139 19.025 19.000 -0.190 0.000 1.003 113 A HN 0.826 nan 8.150 nan 0.000 0.497 114 R N 1.336 121.894 120.500 0.097 0.000 2.276 114 R HA 0.170 4.509 4.340 -0.001 0.000 0.196 114 R C -0.303 176.144 176.300 0.245 0.000 0.961 114 R CA 0.270 56.449 56.100 0.132 0.000 1.024 114 R CB -0.155 30.255 30.300 0.184 0.000 0.940 114 R HN 0.857 nan 8.270 nan 0.000 0.480 115 F N 0.485 120.559 119.950 0.206 0.000 3.084 115 F HA -0.335 4.192 4.527 -0.001 0.000 0.286 115 F C 0.844 176.757 175.800 0.189 0.000 0.855 115 F CA 0.172 58.253 58.000 0.134 0.000 1.091 115 F CB -0.839 38.136 39.000 -0.042 0.000 1.177 115 F HN 0.268 nan 8.300 nan 0.000 0.542 116 E N -0.103 120.338 120.200 0.403 0.000 2.201 116 E HA 0.024 4.373 4.350 -0.001 0.000 0.193 116 E C 0.879 177.627 176.600 0.246 0.000 0.957 116 E CA 0.369 56.915 56.400 0.244 0.000 0.858 116 E CB 0.213 29.989 29.700 0.127 0.000 0.816 116 E HN 0.263 nan 8.360 nan 0.000 0.475 117 N N 0.239 119.134 118.700 0.326 0.000 2.519 117 N HA 0.066 4.805 4.740 -0.001 0.000 0.291 117 N C -0.068 175.589 175.510 0.245 0.000 1.107 117 N CA -0.122 53.070 53.050 0.236 0.000 0.904 117 N CB 1.422 40.003 38.487 0.157 0.000 1.500 117 N HN -0.086 nan 8.380 nan 0.000 0.510 118 R N 2.509 122.964 120.500 -0.074 0.000 2.096 118 R HA -0.151 4.188 4.340 -0.001 0.000 0.240 118 R C 1.243 177.517 176.300 -0.044 0.000 1.139 118 R CA 1.775 57.552 56.100 -0.538 0.000 0.952 118 R CB 0.120 29.782 30.300 -1.063 0.000 0.854 118 R HN 0.699 nan 8.270 nan 0.000 0.436 119 E N -0.810 119.393 120.200 0.004 0.000 2.058 119 E HA -0.258 4.091 4.350 -0.001 0.000 0.194 119 E C 1.816 178.520 176.600 0.172 0.000 0.997 119 E CA 1.576 58.028 56.400 0.086 0.000 0.801 119 E CB -0.269 29.469 29.700 0.063 0.000 0.746 119 E HN 0.383 nan 8.360 nan 0.000 0.450 120 Y N 1.986 122.338 120.300 0.087 0.000 2.114 120 Y HA -0.289 4.260 4.550 -0.002 0.000 0.282 120 Y C 1.889 177.861 175.900 0.120 0.000 1.165 120 Y CA 2.122 60.279 58.100 0.095 0.000 1.148 120 Y CB -0.187 38.330 38.460 0.094 0.000 0.972 120 Y HN 0.065 nan 8.280 nan 0.000 0.504 121 D N -0.978 119.576 120.400 0.257 0.000 2.077 121 D HA -0.210 4.429 4.640 -0.001 0.000 0.196 121 D C 2.025 178.367 176.300 0.070 0.000 0.986 121 D CA 1.794 55.905 54.000 0.186 0.000 0.829 121 D CB -0.803 40.274 40.800 0.462 0.000 0.983 121 D HN 0.400 nan 8.370 nan 0.000 0.453 122 Y N 1.022 121.380 120.300 0.096 0.000 2.497 122 Y HA -0.029 4.520 4.550 -0.001 0.000 0.292 122 Y C 1.873 177.795 175.900 0.036 0.000 1.137 122 Y CA 0.650 58.810 58.100 0.100 0.000 1.285 122 Y CB -0.133 38.409 38.460 0.137 0.000 0.991 122 Y HN -0.019 nan 8.280 nan 0.000 0.556 123 N N 0.387 119.142 118.700 0.091 0.000 2.461 123 N HA -0.082 4.657 4.740 -0.001 0.000 0.188 123 N C -0.138 175.333 175.510 -0.066 0.000 1.134 123 N CA 0.576 53.635 53.050 0.016 0.000 0.878 123 N CB -0.092 38.399 38.487 0.006 0.000 0.972 123 N HN 0.241 nan 8.380 nan 0.000 0.456 124 E N -0.017 120.113 120.200 -0.117 0.000 2.228 124 E HA -0.172 4.177 4.350 -0.001 0.000 0.213 124 E C 1.021 177.501 176.600 -0.200 0.000 1.282 124 E CA 0.059 56.360 56.400 -0.164 0.000 0.707 124 E CB -1.711 27.927 29.700 -0.104 0.000 1.150 124 E HN 0.090 nan 8.360 nan 0.000 0.362 125 V N 0.043 119.747 119.914 -0.350 0.000 2.252 125 V HA -0.315 3.804 4.120 -0.001 0.000 0.249 125 V C 2.424 178.410 176.094 -0.181 0.000 1.056 125 V CA 2.528 64.638 62.300 -0.316 0.000 1.022 125 V CB -0.354 31.110 31.823 -0.599 0.000 0.641 125 V HN 0.419 nan 8.190 nan 0.000 0.445 126 I N -0.604 119.836 120.570 -0.217 0.000 2.090 126 I HA -0.258 3.912 4.170 -0.001 0.000 0.236 126 I C 2.423 178.594 176.117 0.089 0.000 1.064 126 I CA 1.999 63.279 61.300 -0.034 0.000 1.324 126 I CB -0.471 37.467 38.000 -0.104 0.000 1.044 126 I HN 0.300 nan 8.210 nan 0.000 0.399 127 I N 1.378 121.934 120.570 -0.022 0.000 2.236 127 I HA -0.353 3.816 4.170 -0.001 0.000 0.249 127 I C 2.153 178.303 176.117 0.055 0.000 1.102 127 I CA 1.869 63.160 61.300 -0.015 0.000 1.365 127 I CB -0.608 37.336 38.000 -0.092 0.000 1.051 127 I HN 0.253 nan 8.210 nan 0.000 0.420 128 N N 0.180 118.881 118.700 0.002 0.000 2.244 128 N HA -0.161 4.578 4.740 -0.001 0.000 0.183 128 N C 1.797 177.287 175.510 -0.033 0.000 1.016 128 N CA 1.175 54.213 53.050 -0.019 0.000 0.866 128 N CB -0.173 38.283 38.487 -0.050 0.000 0.980 128 N HN 0.614 nan 8.380 nan 0.000 0.430 129 Q N -0.791 119.011 119.800 0.004 0.000 2.230 129 Q HA -0.021 4.318 4.340 -0.001 0.000 0.202 129 Q C 1.456 177.406 176.000 -0.083 0.000 0.963 129 Q CA 0.772 56.534 55.803 -0.068 0.000 0.866 129 Q CB -0.048 28.715 28.738 0.042 0.000 0.931 129 Q HN 0.309 nan 8.270 nan 0.000 0.452 130 F N 0.418 120.336 119.950 -0.054 0.000 2.146 130 F HA -0.147 4.380 4.527 -0.000 0.000 0.298 130 F C 2.019 177.783 175.800 -0.059 0.000 1.096 130 F CA 0.936 58.921 58.000 -0.026 0.000 1.275 130 F CB -0.110 38.876 39.000 -0.022 0.000 1.008 130 F HN 0.016 nan 8.300 nan 0.000 0.480 131 I N -0.670 119.965 120.570 0.107 0.000 2.226 131 I HA -0.299 3.870 4.170 -0.001 0.000 0.245 131 I C 2.310 178.385 176.117 -0.070 0.000 1.100 131 I CA 1.211 62.525 61.300 0.022 0.000 1.374 131 I CB -0.404 37.599 38.000 0.004 0.000 1.057 131 I HN 0.124 nan 8.210 nan 0.000 0.413 132 Q N -0.134 119.541 119.800 -0.209 0.000 2.049 132 Q HA -0.126 4.213 4.340 -0.001 0.000 0.198 132 Q C 1.792 177.553 176.000 -0.398 0.000 0.971 132 Q CA 1.479 57.037 55.803 -0.408 0.000 0.833 132 Q CB 0.054 28.327 28.738 -0.775 0.000 0.896 132 Q HN 0.548 nan 8.270 nan 0.000 0.434 133 H N -2.065 116.985 119.070 -0.032 0.000 2.755 133 H HA 0.290 4.845 4.556 -0.001 0.000 0.273 133 H C 1.738 177.024 175.328 -0.071 0.000 1.055 133 H CA 0.804 56.817 56.048 -0.058 0.000 1.191 133 H CB 0.274 29.987 29.762 -0.081 0.000 1.536 133 H HN 0.264 nan 8.280 nan 0.000 0.529 134 S N 0.391 116.101 115.700 0.018 0.000 2.406 134 S HA 0.011 4.480 4.470 -0.001 0.000 0.228 134 S C 1.949 176.561 174.600 0.019 0.000 1.020 134 S CA 0.924 59.133 58.200 0.015 0.000 0.965 134 S CB -0.349 62.905 63.200 0.091 0.000 0.798 134 S HN 0.540 nan 8.310 nan 0.000 0.488 135 G N 1.291 110.106 108.800 0.025 0.000 2.143 135 G HA2 -0.195 3.764 3.960 -0.001 0.000 0.248 135 G HA3 -0.195 3.764 3.960 -0.001 0.000 0.248 135 G C 0.027 174.940 174.900 0.022 0.000 0.991 135 G CA 0.238 45.348 45.100 0.017 0.000 0.689 135 G HN 0.608 nan 8.290 nan 0.000 0.522 136 R N -1.000 119.524 120.500 0.039 0.000 2.799 136 R HA 0.537 4.876 4.340 -0.001 0.000 0.270 136 R C -3.031 173.309 176.300 0.066 0.000 1.010 136 R CA -2.111 54.020 56.100 0.051 0.000 0.916 136 R CB 0.499 30.836 30.300 0.061 0.000 1.228 136 R HN 0.007 nan 8.270 nan 0.000 0.469 137 P HA 0.190 nan 4.420 nan 0.000 0.271 137 P C -0.673 176.704 177.300 0.129 0.000 1.220 137 P CA -0.236 62.922 63.100 0.096 0.000 0.768 137 P CB 0.675 32.432 31.700 0.096 0.000 0.848 138 V N 4.885 124.877 119.914 0.129 0.000 2.555 138 V HA 0.583 4.702 4.120 -0.001 0.000 0.302 138 V C -0.277 175.929 176.094 0.186 0.000 1.038 138 V CA -0.443 61.913 62.300 0.093 0.000 0.887 138 V CB 1.017 32.873 31.823 0.055 0.000 0.991 138 V HN 0.431 nan 8.190 nan 0.000 0.434 139 F N 1.981 121.972 119.950 0.068 0.000 2.532 139 F HA 0.783 5.309 4.527 -0.001 0.000 0.321 139 F C 0.033 175.878 175.800 0.075 0.000 1.089 139 F CA -1.022 57.065 58.000 0.145 0.000 0.926 139 F CB 1.787 40.908 39.000 0.201 0.000 1.168 139 F HN 0.368 nan 8.300 nan 0.000 0.459 140 S N 3.759 119.627 115.700 0.281 0.000 2.499 140 S HA 0.354 4.824 4.470 -0.001 0.000 0.275 140 S C 0.232 174.951 174.600 0.198 0.000 1.257 140 S CA -0.643 57.613 58.200 0.094 0.000 1.050 140 S CB 0.278 63.511 63.200 0.054 0.000 0.937 140 S HN 0.821 nan 8.310 nan 0.000 0.490 141 M N 3.611 123.198 119.600 -0.022 0.000 2.560 141 M HA 0.328 4.808 4.480 -0.001 0.000 0.297 141 M C -0.132 176.070 176.300 -0.163 0.000 1.201 141 M CA 0.137 55.450 55.300 0.021 0.000 0.973 141 M CB -0.369 32.124 32.600 -0.179 0.000 1.401 141 M HN 0.882 nan 8.290 nan 0.000 0.497 142 E N 0.317 120.383 120.200 -0.224 0.000 7.512 142 E HA 0.017 4.366 4.350 -0.001 0.000 0.210 142 E C -1.557 174.950 176.600 -0.155 0.000 0.876 142 E CA -0.093 56.066 56.400 -0.401 0.000 1.670 142 E CB -0.254 29.033 29.700 -0.689 0.000 0.895 142 E HN 0.417 nan 8.360 nan 0.000 0.262 143 A N 3.188 125.925 122.820 -0.138 0.000 3.068 143 A HA 0.904 5.223 4.320 -0.001 0.000 0.229 143 A C 1.235 178.737 177.584 -0.138 0.000 1.561 143 A CA 0.388 52.355 52.037 -0.118 0.000 0.876 143 A CB 0.010 18.939 19.000 -0.117 0.000 1.700 143 A HN 1.042 nan 8.150 nan 0.000 0.535 144 A N -1.639 121.092 122.820 -0.148 0.000 1.968 144 A HA 0.119 4.439 4.320 -0.001 0.000 0.217 144 A C 1.806 179.230 177.584 -0.265 0.000 1.169 144 A CA 2.443 54.379 52.037 -0.169 0.000 0.638 144 A CB -0.782 18.142 19.000 -0.126 0.000 0.812 144 A HN 1.387 nan 8.150 nan 0.000 0.446 145 T N -4.648 109.723 114.554 -0.304 0.000 3.043 145 T HA 0.442 4.791 4.350 -0.001 0.000 0.272 145 T C 0.587 175.061 174.700 -0.377 0.000 0.990 145 T CA -0.425 61.420 62.100 -0.425 0.000 0.897 145 T CB 0.236 68.779 68.868 -0.543 0.000 1.111 145 T HN 0.350 nan 8.240 nan 0.000 0.529 146 R N -0.370 119.999 120.500 -0.217 0.000 2.831 146 R HA 0.578 4.917 4.340 -0.001 0.000 0.266 146 R C -1.585 174.701 176.300 -0.023 0.000 1.051 146 R CA -0.873 55.147 56.100 -0.133 0.000 0.943 146 R CB 1.098 31.380 30.300 -0.031 0.000 1.228 146 R HN 0.158 nan 8.270 nan 0.000 0.467 147 H N 1.506 120.520 119.070 -0.094 0.000 3.061 147 H HA 0.141 4.696 4.556 -0.001 0.000 0.210 147 H C -2.255 173.039 175.328 -0.057 0.000 1.326 147 H CA -1.955 54.059 56.048 -0.056 0.000 1.380 147 H CB 0.533 30.252 29.762 -0.071 0.000 2.147 147 H HN 0.326 nan 8.280 nan 0.000 0.562 148 P HA -0.205 nan 4.420 nan 0.000 0.216 148 P C 1.776 179.112 177.300 0.060 0.000 1.157 148 P CA 0.950 64.042 63.100 -0.014 0.000 0.880 148 P CB 0.732 32.247 31.700 -0.307 0.000 0.791 149 L N -0.963 120.474 121.223 0.356 0.000 2.081 149 L HA -0.235 4.104 4.340 -0.001 0.000 0.212 149 L C 3.082 179.878 176.870 -0.123 0.000 1.080 149 L CA 1.751 56.749 54.840 0.263 0.000 0.754 149 L CB -0.867 41.376 42.059 0.306 0.000 0.893 149 L HN 0.072 nan 8.230 nan 0.000 0.433 150 Q N -0.268 119.266 119.800 -0.443 0.000 1.994 150 Q HA -0.132 4.208 4.340 -0.001 0.000 0.198 150 Q C 2.281 178.033 176.000 -0.414 0.000 0.976 150 Q CA 2.236 57.715 55.803 -0.540 0.000 0.828 150 Q CB -0.243 27.930 28.738 -0.941 0.000 0.894 150 Q HN 0.295 nan 8.270 nan 0.000 0.432 151 S N 0.466 115.847 115.700 -0.531 0.000 2.365 151 S HA -0.143 4.326 4.470 -0.001 0.000 0.225 151 S C 1.506 175.603 174.600 -0.838 0.000 1.039 151 S CA 1.213 58.992 58.200 -0.701 0.000 1.033 151 S CB -0.665 61.844 63.200 -1.151 0.000 0.887 151 S HN 0.494 nan 8.310 nan 0.000 0.447 152 F N 2.771 121.933 119.950 -1.313 0.000 2.120 152 F HA -0.153 4.373 4.527 -0.001 0.000 0.300 152 F C 2.415 177.953 175.800 -0.436 0.000 1.095 152 F CA 0.910 58.327 58.000 -0.973 0.000 1.249 152 F CB -1.295 37.383 39.000 -0.537 0.000 0.995 152 F HN 0.187 nan 8.300 nan 0.000 0.480 153 A N 0.133 122.755 122.820 -0.330 0.000 1.898 153 A HA -0.179 4.141 4.320 -0.001 0.000 0.216 153 A C 2.048 179.509 177.584 -0.206 0.000 1.181 153 A CA 1.724 53.562 52.037 -0.332 0.000 0.620 153 A CB -0.975 17.861 19.000 -0.274 0.000 0.819 153 A HN 0.418 nan 8.150 nan 0.000 0.442 154 D N -0.244 120.053 120.400 -0.172 0.000 2.123 154 D HA -0.171 4.469 4.640 -0.001 0.000 0.196 154 D C 1.860 178.122 176.300 -0.064 0.000 0.992 154 D CA 1.542 55.490 54.000 -0.086 0.000 0.833 154 D CB -0.449 40.319 40.800 -0.054 0.000 0.954 154 D HN 0.370 nan 8.370 nan 0.000 0.455 155 L N 1.161 122.347 121.223 -0.060 0.000 1.994 155 L HA -0.138 4.202 4.340 -0.001 0.000 0.208 155 L C 2.284 179.197 176.870 0.072 0.000 1.071 155 L CA 1.379 56.246 54.840 0.044 0.000 0.745 155 L CB -0.610 41.551 42.059 0.170 0.000 0.892 155 L HN -0.018 nan 8.230 nan 0.000 0.431 156 I N -0.498 120.070 120.570 -0.002 0.000 2.151 156 I HA -0.361 3.808 4.170 -0.001 0.000 0.243 156 I C 2.512 178.646 176.117 0.028 0.000 1.080 156 I CA 1.993 63.242 61.300 -0.084 0.000 1.339 156 I CB -0.916 36.862 38.000 -0.369 0.000 1.039 156 I HN 0.558 nan 8.210 nan 0.000 0.409 157 T N -0.434 114.116 114.554 -0.006 0.000 2.904 157 T HA -0.063 4.286 4.350 -0.001 0.000 0.267 157 T C 1.835 176.600 174.700 0.107 0.000 1.059 157 T CA 0.886 63.030 62.100 0.074 0.000 1.137 157 T CB -0.424 68.420 68.868 -0.041 0.000 0.879 157 T HN 0.282 nan 8.240 nan 0.000 0.467 158 I N 0.745 121.285 120.570 -0.049 0.000 2.252 158 I HA -0.074 4.095 4.170 -0.001 0.000 0.245 158 I C 3.016 179.117 176.117 -0.026 0.000 1.102 158 I CA 1.220 62.326 61.300 -0.323 0.000 1.385 158 I CB -0.334 37.326 38.000 -0.567 0.000 1.064 158 I HN 0.257 nan 8.210 nan 0.000 0.414 159 E N 0.735 121.028 120.200 0.154 0.000 2.051 159 E HA -0.289 4.060 4.350 -0.001 0.000 0.192 159 E C 1.967 178.715 176.600 0.245 0.000 0.991 159 E CA 1.296 57.843 56.400 0.245 0.000 0.799 159 E CB -0.271 29.654 29.700 0.374 0.000 0.748 159 E HN 0.519 nan 8.360 nan 0.000 0.449 160 E N -0.563 119.863 120.200 0.376 0.000 2.118 160 E HA -0.205 4.144 4.350 -0.001 0.000 0.195 160 E C 1.241 177.909 176.600 0.114 0.000 0.992 160 E CA 1.125 57.713 56.400 0.313 0.000 0.804 160 E CB 0.022 30.003 29.700 0.467 0.000 0.741 160 E HN 0.261 nan 8.360 nan 0.000 0.458 161 Y N 0.472 120.831 120.300 0.099 0.000 2.462 161 Y HA 0.138 4.687 4.550 -0.001 0.000 0.253 161 Y C 0.306 176.384 175.900 0.296 0.000 1.095 161 Y CA -0.074 58.069 58.100 0.071 0.000 1.283 161 Y CB 0.299 38.587 38.460 -0.287 0.000 1.138 161 Y HN -0.097 nan 8.280 nan 0.000 0.522 162 K N 0.558 121.271 120.400 0.522 0.000 2.527 162 K HA -0.038 4.281 4.320 -0.001 0.000 0.278 162 K C 0.309 177.079 176.600 0.284 0.000 0.981 162 K CA 0.177 56.766 56.287 0.504 0.000 1.009 162 K CB 0.738 33.403 32.500 0.276 0.000 0.895 162 K HN -0.162 nan 8.250 nan 0.000 0.493 163 K N 0.523 121.066 120.400 0.238 0.000 2.361 163 K HA 0.045 4.364 4.320 -0.001 0.000 0.194 163 K C 0.032 176.685 176.600 0.089 0.000 1.032 163 K CA 0.722 57.088 56.287 0.131 0.000 1.048 163 K CB 0.569 33.120 32.500 0.085 0.000 0.842 163 K HN 0.966 nan 8.250 nan 0.000 0.526 164 T N -5.303 109.310 114.554 0.098 0.000 2.865 164 T HA 0.641 4.991 4.350 -0.001 0.000 0.294 164 T C 1.012 175.756 174.700 0.074 0.000 1.119 164 T CA -0.423 61.720 62.100 0.072 0.000 1.007 164 T CB 1.611 70.516 68.868 0.061 0.000 1.225 164 T HN -0.154 nan 8.240 nan 0.000 0.515 165 A N 0.880 123.742 122.820 0.070 0.000 1.883 165 A HA 0.101 4.420 4.320 -0.001 0.000 0.217 165 A C 1.355 179.011 177.584 0.120 0.000 1.186 165 A CA 1.019 53.109 52.037 0.089 0.000 0.624 165 A CB -0.517 18.530 19.000 0.078 0.000 0.822 165 A HN 0.759 nan 8.150 nan 0.000 0.444 166 R N -0.025 120.537 120.500 0.102 0.000 2.564 166 R HA 0.295 4.634 4.340 -0.001 0.000 0.282 166 R C -2.831 173.505 176.300 0.061 0.000 1.573 166 R CA -1.664 54.517 56.100 0.134 0.000 1.588 166 R CB 1.109 31.506 30.300 0.162 0.000 1.154 166 R HN 0.361 nan 8.270 nan 0.000 0.606 167 P HA -0.044 nan 4.420 nan 0.000 0.271 167 P C -0.841 176.497 177.300 0.063 0.000 1.233 167 P CA -0.283 62.830 63.100 0.021 0.000 0.789 167 P CB 0.967 32.722 31.700 0.092 0.000 0.951 168 K N 1.187 121.666 120.400 0.131 0.000 2.267 168 K HA 0.336 4.655 4.320 -0.001 0.000 0.282 168 K C -1.127 175.607 176.600 0.222 0.000 1.078 168 K CA -0.598 55.783 56.287 0.158 0.000 0.903 168 K CB 0.305 32.876 32.500 0.117 0.000 1.111 168 K HN 0.169 nan 8.250 nan 0.000 0.475 169 V N 5.353 125.434 119.914 0.278 0.000 2.347 169 V HA 0.259 4.378 4.120 -0.001 0.000 0.280 169 V C -0.427 175.934 176.094 0.445 0.000 1.021 169 V CA -0.909 61.612 62.300 0.369 0.000 0.847 169 V CB 1.488 33.508 31.823 0.327 0.000 0.990 169 V HN 0.483 nan 8.190 nan 0.000 0.444 170 V N 6.302 126.409 119.914 0.321 0.000 2.384 170 V HA 0.451 4.570 4.120 -0.001 0.000 0.287 170 V C -0.002 176.297 176.094 0.342 0.000 1.020 170 V CA -0.428 62.015 62.300 0.239 0.000 0.850 170 V CB 1.613 33.422 31.823 -0.023 0.000 0.987 170 V HN 0.926 nan 8.190 nan 0.000 0.436 171 M N 4.669 124.556 119.600 0.479 0.000 2.157 171 M HA 0.508 4.987 4.480 -0.001 0.000 0.354 171 M C -0.280 176.309 176.300 0.483 0.000 1.170 171 M CA 0.239 55.863 55.300 0.541 0.000 1.060 171 M CB 1.240 34.295 32.600 0.758 0.000 1.615 171 M HN 0.735 nan 8.290 nan 0.000 0.460 172 T N 4.750 119.594 114.554 0.483 0.000 2.841 172 T HA 0.384 4.733 4.350 -0.001 0.000 0.283 172 T C -1.294 173.725 174.700 0.531 0.000 1.000 172 T CA -0.476 61.985 62.100 0.601 0.000 0.977 172 T CB 0.686 70.004 68.868 0.749 0.000 0.979 172 T HN 0.787 nan 8.240 nan 0.000 0.446 173 W N 4.397 125.815 121.300 0.196 0.000 2.093 173 W HA 0.594 5.253 4.660 -0.001 0.000 0.352 173 W C -0.534 175.915 176.519 -0.115 0.000 1.294 173 W CA 0.215 57.348 57.345 -0.354 0.000 1.290 173 W CB 0.408 29.215 29.460 -1.088 0.000 1.149 173 W HN 0.850 nan 8.180 nan 0.000 0.606 174 A N 4.818 127.008 122.820 -1.051 0.000 2.594 174 A HA 0.544 4.863 4.320 -0.001 0.000 0.295 174 A C -2.801 173.739 177.584 -1.740 0.000 1.071 174 A CA -1.520 50.023 52.037 -0.825 0.000 0.685 174 A CB 1.396 20.234 19.000 -0.270 0.000 1.285 174 A HN 0.436 nan 8.150 nan 0.000 0.405 175 P HA 0.275 nan 4.420 nan 0.000 0.275 175 P C -1.130 175.959 177.300 -0.351 0.000 1.227 175 P CA 0.492 63.176 63.100 -0.694 0.000 0.781 175 P CB 0.758 32.362 31.700 -0.160 0.000 0.906 176 H N 3.666 122.563 119.070 -0.288 0.000 2.974 176 H HA 0.243 4.798 4.556 -0.001 0.000 0.366 176 H C -2.031 173.277 175.328 -0.034 0.000 1.155 176 H CA -1.750 54.211 56.048 -0.145 0.000 1.186 176 H CB 2.558 32.230 29.762 -0.151 0.000 1.799 176 H HN 0.183 nan 8.280 nan 0.000 0.541 177 P HA 0.030 nan 4.420 nan 0.000 0.229 177 P C -0.091 177.350 177.300 0.234 0.000 1.160 177 P CA 0.586 63.753 63.100 0.112 0.000 0.777 177 P CB 1.079 32.774 31.700 -0.008 0.000 0.814 178 R N 0.445 121.220 120.500 0.459 0.000 2.803 178 R HA 0.463 4.803 4.340 -0.001 0.000 0.276 178 R C -2.579 173.815 176.300 0.157 0.000 0.978 178 R CA -2.456 53.797 56.100 0.256 0.000 0.939 178 R CB 1.501 31.939 30.300 0.230 0.000 1.179 178 R HN -0.059 nan 8.270 nan 0.000 0.472 179 P HA 0.130 nan 4.420 nan 0.000 0.281 179 P C -0.842 176.616 177.300 0.264 0.000 1.286 179 P CA 0.139 63.383 63.100 0.238 0.000 0.772 179 P CB 0.604 32.462 31.700 0.262 0.000 0.862 180 L N 6.105 127.435 121.223 0.178 0.000 2.344 180 L HA 0.511 4.850 4.340 -0.001 0.000 0.272 180 L C -2.119 174.859 176.870 0.181 0.000 1.035 180 L CA -2.919 51.943 54.840 0.037 0.000 0.807 180 L CB 1.316 43.286 42.059 -0.147 0.000 1.237 180 L HN 0.112 nan 8.230 nan 0.000 0.442 181 P HA -0.012 nan 4.420 nan 0.000 0.271 181 P C -0.486 176.875 177.300 0.101 0.000 1.233 181 P CA -0.281 62.743 63.100 -0.127 0.000 0.789 181 P CB 0.351 31.799 31.700 -0.421 0.000 0.951 182 Q N 0.442 120.328 119.800 0.143 0.000 2.204 182 Q HA 0.198 4.538 4.340 -0.001 0.000 0.209 182 Q C 1.261 177.140 176.000 -0.202 0.000 0.861 182 Q CA 0.075 55.883 55.803 0.008 0.000 0.971 182 Q CB -0.377 28.371 28.738 0.017 0.000 1.095 182 Q HN 0.392 nan 8.270 nan 0.000 0.486 183 A N 1.335 124.031 122.820 -0.207 0.000 1.883 183 A HA -0.137 4.182 4.320 -0.001 0.000 0.217 183 A C 2.238 179.702 177.584 -0.200 0.000 1.186 183 A CA 1.788 53.666 52.037 -0.266 0.000 0.624 183 A CB -0.730 18.108 19.000 -0.271 0.000 0.822 183 A HN 0.213 nan 8.150 nan 0.000 0.444 184 V N 0.371 120.214 119.914 -0.119 0.000 2.307 184 V HA -0.149 3.970 4.120 -0.001 0.000 0.245 184 V C -0.091 175.991 176.094 -0.020 0.000 1.045 184 V CA 2.481 64.764 62.300 -0.028 0.000 1.024 184 V CB -1.455 30.360 31.823 -0.014 0.000 0.651 184 V HN 0.379 nan 8.190 nan 0.000 0.449 185 P HA -0.090 nan 4.420 nan 0.000 0.215 185 P C 1.325 178.508 177.300 -0.196 0.000 1.157 185 P CA 1.341 64.340 63.100 -0.168 0.000 0.868 185 P CB -0.120 31.188 31.700 -0.653 0.000 0.788 186 N N -0.855 117.594 118.700 -0.418 0.000 2.036 186 N HA -0.157 4.582 4.740 -0.001 0.000 0.195 186 N C 1.954 177.217 175.510 -0.411 0.000 1.037 186 N CA 1.568 54.198 53.050 -0.700 0.000 0.855 186 N CB -1.344 36.242 38.487 -1.502 0.000 1.033 186 N HN 0.043 nan 8.380 nan 0.000 0.423 187 S N -0.005 115.528 115.700 -0.278 0.000 2.359 187 S HA -0.132 4.337 4.470 -0.001 0.000 0.224 187 S C 1.819 176.477 174.600 0.098 0.000 1.035 187 S CA 0.853 59.040 58.200 -0.021 0.000 1.018 187 S CB -0.474 62.711 63.200 -0.024 0.000 0.876 187 S HN 0.323 nan 8.310 nan 0.000 0.448 188 F N 2.331 122.205 119.950 -0.127 0.000 2.069 188 F HA -0.050 4.476 4.527 -0.001 0.000 0.298 188 F C 2.343 178.036 175.800 -0.178 0.000 1.113 188 F CA 1.319 59.185 58.000 -0.223 0.000 1.214 188 F CB -1.142 37.688 39.000 -0.283 0.000 0.978 188 F HN 0.253 nan 8.300 nan 0.000 0.474 189 A N 0.010 122.837 122.820 0.012 0.000 1.865 189 A HA -0.308 4.011 4.320 -0.001 0.000 0.217 189 A C 2.228 179.771 177.584 -0.067 0.000 1.191 189 A CA 1.992 54.059 52.037 0.050 0.000 0.623 189 A CB -1.323 17.884 19.000 0.345 0.000 0.826 189 A HN 0.591 nan 8.150 nan 0.000 0.444 190 E N -1.464 118.786 120.200 0.084 0.000 2.086 190 E HA -0.288 4.061 4.350 -0.001 0.000 0.200 190 E C 1.760 178.293 176.600 -0.112 0.000 1.012 190 E CA 1.941 58.386 56.400 0.073 0.000 0.812 190 E CB -0.291 29.539 29.700 0.218 0.000 0.743 190 E HN 0.772 nan 8.360 nan 0.000 0.453 191 W N -0.260 120.850 121.300 -0.317 0.000 2.409 191 W HA -0.049 4.610 4.660 -0.001 0.000 0.299 191 W C 2.399 178.585 176.519 -0.556 0.000 1.203 191 W CA 0.473 57.586 57.345 -0.387 0.000 1.298 191 W CB -0.347 28.899 29.460 -0.357 0.000 1.127 191 W HN 0.169 nan 8.180 nan 0.000 0.528 192 M N 0.318 119.529 119.600 -0.648 0.000 2.108 192 M HA -0.194 4.285 4.480 -0.001 0.000 0.261 192 M C 1.548 177.512 176.300 -0.560 0.000 1.066 192 M CA 1.403 56.158 55.300 -0.909 0.000 1.107 192 M CB -1.875 29.565 32.600 -1.933 0.000 1.356 192 M HN 0.027 nan 8.290 nan 0.000 0.406 193 N N 0.653 119.127 118.700 -0.377 0.000 2.348 193 N HA -0.070 4.669 4.740 -0.001 0.000 0.185 193 N C 1.427 176.825 175.510 -0.188 0.000 1.019 193 N CA 1.406 54.374 53.050 -0.137 0.000 0.880 193 N CB -0.235 38.235 38.487 -0.030 0.000 0.965 193 N HN 0.401 nan 8.380 nan 0.000 0.437 194 A N 0.002 122.655 122.820 -0.278 0.000 2.238 194 A HA 0.047 4.366 4.320 -0.001 0.000 0.208 194 A C 1.240 178.646 177.584 -0.297 0.000 1.177 194 A CA 0.555 52.418 52.037 -0.290 0.000 0.804 194 A CB -0.264 18.502 19.000 -0.391 0.000 0.823 194 A HN 0.382 nan 8.150 nan 0.000 0.482 195 T N -2.682 111.654 114.554 -0.363 0.000 2.922 195 T HA 0.400 4.750 4.350 -0.001 0.000 0.281 195 T C 0.075 174.609 174.700 -0.276 0.000 1.005 195 T CA -0.004 61.825 62.100 -0.453 0.000 0.982 195 T CB 1.226 69.491 68.868 -1.005 0.000 1.158 195 T HN 0.210 nan 8.240 nan 0.000 0.566 196 D N -1.058 119.219 120.400 -0.205 0.000 2.427 196 D HA 0.076 4.715 4.640 -0.001 0.000 0.224 196 D C -0.054 176.337 176.300 0.152 0.000 1.157 196 D CA -0.433 53.560 54.000 -0.012 0.000 0.828 196 D CB -0.506 40.306 40.800 0.020 0.000 0.974 196 D HN 0.668 nan 8.370 nan 0.000 0.498 197 Y N 0.992 121.290 120.300 -0.003 0.000 2.299 197 Y HA 0.103 4.653 4.550 -0.001 0.000 0.335 197 Y C 1.163 177.112 175.900 0.082 0.000 1.287 197 Y CA -0.919 57.199 58.100 0.030 0.000 1.424 197 Y CB 0.983 39.434 38.460 -0.014 0.000 1.326 197 Y HN -0.098 nan 8.280 nan 0.000 0.567 198 E N 2.395 122.762 120.200 0.280 0.000 2.001 198 E HA 0.098 4.447 4.350 -0.001 0.000 0.279 198 E C -1.706 175.079 176.600 0.308 0.000 1.045 198 E CA -0.420 56.115 56.400 0.224 0.000 0.833 198 E CB 0.190 29.985 29.700 0.159 0.000 1.077 198 E HN 0.349 nan 8.360 nan 0.000 0.397 199 F N 5.226 125.239 119.950 0.106 0.000 2.415 199 F HA 0.400 4.926 4.527 -0.001 0.000 0.348 199 F C -1.157 174.705 175.800 0.102 0.000 1.119 199 F CA -0.908 57.151 58.000 0.099 0.000 1.069 199 F CB 1.022 40.049 39.000 0.047 0.000 1.124 199 F HN 0.112 nan 8.300 nan 0.000 0.472 200 V N 7.464 127.220 119.914 -0.263 0.000 2.709 200 V HA 0.466 4.586 4.120 -0.001 0.000 0.308 200 V C -0.289 175.562 176.094 -0.405 0.000 1.062 200 V CA -0.865 61.249 62.300 -0.310 0.000 0.901 200 V CB 2.020 33.819 31.823 -0.040 0.000 1.003 200 V HN 0.585 nan 8.190 nan 0.000 0.425 201 I N 2.945 123.319 120.570 -0.326 0.000 2.378 201 I HA 0.522 4.691 4.170 -0.001 0.000 0.291 201 I C -0.146 176.004 176.117 0.055 0.000 0.992 201 I CA -0.193 61.061 61.300 -0.077 0.000 1.154 201 I CB 2.076 40.046 38.000 -0.050 0.000 1.315 201 I HN 0.631 nan 8.210 nan 0.000 0.448 202 T N 6.209 120.912 114.554 0.248 0.000 2.840 202 T HA 0.519 4.868 4.350 -0.001 0.000 0.287 202 T C -0.927 174.036 174.700 0.438 0.000 0.991 202 T CA -0.416 61.843 62.100 0.264 0.000 0.964 202 T CB 0.261 69.373 68.868 0.407 0.000 0.954 202 T HN 0.802 nan 8.240 nan 0.000 0.438 203 H N 2.129 121.302 119.070 0.172 0.000 3.017 203 H HA 0.562 5.117 4.556 -0.001 0.000 0.346 203 H C -3.399 171.618 175.328 -0.518 0.000 1.286 203 H CA -2.239 53.588 56.048 -0.369 0.000 1.120 203 H CB 0.714 30.352 29.762 -0.207 0.000 1.860 203 H HN 0.293 nan 8.280 nan 0.000 0.542 204 P HA 0.006 nan 4.420 nan 0.000 0.272 204 P C -0.036 177.370 177.300 0.177 0.000 1.240 204 P CA -0.226 62.660 63.100 -0.357 0.000 0.791 204 P CB 0.646 31.818 31.700 -0.880 0.000 0.978 205 E N 0.665 121.042 120.200 0.295 0.000 2.452 205 E HA 0.149 4.498 4.350 -0.001 0.000 0.261 205 E C 1.379 178.084 176.600 0.176 0.000 0.987 205 E CA 1.383 57.983 56.400 0.335 0.000 0.926 205 E CB -0.122 29.665 29.700 0.145 0.000 0.934 205 E HN 0.807 nan 8.360 nan 0.000 0.452 206 G N 3.026 111.941 108.800 0.191 0.000 2.234 206 G HA2 -0.329 3.630 3.960 -0.001 0.000 0.235 206 G HA3 -0.329 3.630 3.960 -0.001 0.000 0.235 206 G C 0.496 175.330 174.900 -0.111 0.000 0.997 206 G CA 0.026 45.119 45.100 -0.012 0.000 0.623 206 G HN 0.546 nan 8.290 nan 0.000 0.514 207 Y N 2.917 123.184 120.300 -0.056 0.000 2.583 207 Y HA 0.300 4.849 4.550 -0.001 0.000 0.294 207 Y C 1.061 176.782 175.900 -0.298 0.000 1.170 207 Y CA 0.166 58.143 58.100 -0.205 0.000 1.265 207 Y CB 0.279 38.349 38.460 -0.649 0.000 1.119 207 Y HN 0.343 nan 8.280 nan 0.000 0.522 208 E N 0.824 121.059 120.200 0.059 0.000 2.384 208 E HA 0.066 4.415 4.350 -0.001 0.000 0.266 208 E C -0.266 176.432 176.600 0.164 0.000 1.012 208 E CA -0.007 56.459 56.400 0.110 0.000 0.901 208 E CB 1.392 31.301 29.700 0.347 0.000 0.967 208 E HN 0.362 nan 8.360 nan 0.000 0.435 209 L N 1.215 122.469 121.223 0.052 0.000 2.468 209 L HA 0.138 4.477 4.340 -0.001 0.000 0.254 209 L C 0.982 177.769 176.870 -0.139 0.000 1.171 209 L CA -0.813 53.959 54.840 -0.113 0.000 0.809 209 L CB 0.294 42.219 42.059 -0.224 0.000 1.155 209 L HN 0.508 nan 8.230 nan 0.000 0.473 210 D N 1.056 121.157 120.400 -0.497 0.000 2.493 210 D HA -0.018 4.622 4.640 -0.001 0.000 0.240 210 D C -1.766 174.535 176.300 0.001 0.000 1.142 210 D CA -1.126 52.679 54.000 -0.325 0.000 0.872 210 D CB 1.544 42.176 40.800 -0.280 0.000 1.173 210 D HN 0.187 nan 8.370 nan 0.000 0.467 211 P HA -0.215 nan 4.420 nan 0.000 0.216 211 P C 1.222 178.515 177.300 -0.012 0.000 1.154 211 P CA 2.194 65.318 63.100 0.040 0.000 0.865 211 P CB -0.022 31.703 31.700 0.042 0.000 0.789 212 K N -1.389 118.949 120.400 -0.104 0.000 2.286 212 K HA -0.158 4.162 4.320 -0.001 0.000 0.203 212 K C 1.573 177.995 176.600 -0.296 0.000 1.045 212 K CA 1.614 57.758 56.287 -0.239 0.000 0.935 212 K CB -0.945 31.328 32.500 -0.378 0.000 0.737 212 K HN 0.173 nan 8.250 nan 0.000 0.460 213 F N 0.665 120.605 119.950 -0.017 0.000 2.317 213 F HA 0.016 4.543 4.527 -0.001 0.000 0.290 213 F C 2.241 178.053 175.800 0.019 0.000 1.075 213 F CA -0.026 57.965 58.000 -0.014 0.000 1.380 213 F CB 0.070 39.048 39.000 -0.036 0.000 1.093 213 F HN -0.248 nan 8.300 nan 0.000 0.524 214 V N 0.208 120.243 119.914 0.201 0.000 2.392 214 V HA -0.165 3.954 4.120 -0.001 0.000 0.249 214 V C 1.941 178.115 176.094 0.133 0.000 1.059 214 V CA 1.413 63.807 62.300 0.157 0.000 1.051 214 V CB -1.572 30.322 31.823 0.118 0.000 0.658 214 V HN 0.618 nan 8.190 nan 0.000 0.455 215 G N 1.228 110.078 108.800 0.083 0.000 2.611 215 G HA2 -0.403 3.556 3.960 -0.001 0.000 0.301 215 G HA3 -0.403 3.556 3.960 -0.001 0.000 0.301 215 G C 0.157 175.091 174.900 0.056 0.000 1.233 215 G CA 0.626 45.757 45.100 0.052 0.000 0.993 215 G HN 0.914 nan 8.290 nan 0.000 0.553 216 N N 0.807 119.543 118.700 0.059 0.000 2.458 216 N HA 0.625 5.364 4.740 -0.001 0.000 0.274 216 N C 0.175 175.722 175.510 0.062 0.000 1.242 216 N CA 0.888 53.969 53.050 0.052 0.000 0.904 216 N CB 0.795 39.305 38.487 0.038 0.000 1.206 216 N HN 1.066 nan 8.380 nan 0.000 0.510 217 A N 0.603 123.465 122.820 0.069 0.000 2.340 217 A HA 0.356 4.676 4.320 -0.001 0.000 0.268 217 A C 0.417 177.975 177.584 -0.044 0.000 1.100 217 A CA -0.738 51.307 52.037 0.014 0.000 0.803 217 A CB 0.438 19.394 19.000 -0.073 0.000 1.043 217 A HN 0.499 nan 8.150 nan 0.000 0.488 218 R N 1.652 122.112 120.500 -0.067 0.000 2.489 218 R HA 0.347 4.686 4.340 -0.001 0.000 0.287 218 R C -1.309 174.945 176.300 -0.078 0.000 1.053 218 R CA 0.012 56.089 56.100 -0.038 0.000 1.036 218 R CB 0.200 30.493 30.300 -0.012 0.000 0.966 218 R HN 0.426 nan 8.270 nan 0.000 0.432 219 V N 4.598 124.491 119.914 -0.034 0.000 2.334 219 V HA 0.170 4.290 4.120 -0.001 0.000 0.281 219 V C -0.460 175.578 176.094 -0.093 0.000 1.016 219 V CA -0.609 61.633 62.300 -0.098 0.000 0.832 219 V CB 1.192 32.967 31.823 -0.080 0.000 0.999 219 V HN 0.722 nan 8.190 nan 0.000 0.439 220 E N 3.167 123.300 120.200 -0.111 0.000 2.133 220 E HA 0.384 4.733 4.350 -0.001 0.000 0.274 220 E C -0.327 176.238 176.600 -0.060 0.000 0.930 220 E CA -0.349 56.051 56.400 -0.001 0.000 0.770 220 E CB 1.003 30.741 29.700 0.063 0.000 1.104 220 E HN 0.532 nan 8.360 nan 0.000 0.403 221 Y N 1.557 121.889 120.300 0.052 0.000 2.544 221 Y HA 0.083 4.633 4.550 -0.001 0.000 0.286 221 Y C 0.636 176.640 175.900 0.173 0.000 1.141 221 Y CA 0.425 58.592 58.100 0.112 0.000 1.299 221 Y CB 0.538 39.044 38.460 0.077 0.000 1.030 221 Y HN 0.440 nan 8.280 nan 0.000 0.543 222 D N 0.564 121.084 120.400 0.199 0.000 2.396 222 D HA 0.017 4.656 4.640 -0.001 0.000 0.225 222 D C 0.891 177.177 176.300 -0.024 0.000 1.121 222 D CA -0.008 54.027 54.000 0.059 0.000 0.853 222 D CB 1.067 41.897 40.800 0.050 0.000 1.043 222 D HN 0.293 nan 8.370 nan 0.000 0.500 223 Q N 3.811 123.440 119.800 -0.286 0.000 2.030 223 Q HA -0.193 4.146 4.340 -0.001 0.000 0.204 223 Q C 1.708 177.632 176.000 -0.127 0.000 0.986 223 Q CA 1.297 56.911 55.803 -0.314 0.000 0.843 223 Q CB 0.143 28.300 28.738 -0.969 0.000 0.904 223 Q HN 0.544 nan 8.270 nan 0.000 0.420 224 M N 0.474 119.937 119.600 -0.229 0.000 2.195 224 M HA -0.198 4.281 4.480 -0.001 0.000 0.260 224 M C 1.927 178.247 176.300 0.033 0.000 1.066 224 M CA 1.595 56.821 55.300 -0.124 0.000 1.089 224 M CB -0.663 31.853 32.600 -0.140 0.000 1.377 224 M HN 0.206 nan 8.290 nan 0.000 0.411 225 K N -0.314 120.110 120.400 0.039 0.000 2.025 225 K HA -0.042 4.277 4.320 -0.001 0.000 0.207 225 K C 2.084 178.761 176.600 0.128 0.000 1.049 225 K CA 1.361 57.693 56.287 0.075 0.000 0.933 225 K CB -0.161 32.376 32.500 0.062 0.000 0.714 225 K HN 0.281 nan 8.250 nan 0.000 0.438 226 A N 0.913 123.834 122.820 0.169 0.000 1.908 226 A HA -0.178 4.141 4.320 -0.001 0.000 0.218 226 A C 1.926 179.644 177.584 0.223 0.000 1.181 226 A CA 1.436 53.589 52.037 0.192 0.000 0.627 226 A CB -0.762 18.378 19.000 0.235 0.000 0.818 226 A HN 0.214 nan 8.150 nan 0.000 0.445 227 F N 0.397 120.383 119.950 0.060 0.000 2.269 227 F HA -0.023 4.503 4.527 -0.001 0.000 0.301 227 F C 1.106 176.939 175.800 0.054 0.000 1.082 227 F CA 0.688 58.729 58.000 0.069 0.000 1.360 227 F CB -0.483 38.545 39.000 0.047 0.000 1.041 227 F HN 0.266 nan 8.300 nan 0.000 0.512 228 E N 0.183 120.506 120.200 0.204 0.000 2.729 228 E HA 0.103 4.452 4.350 -0.001 0.000 0.246 228 E C 1.256 177.907 176.600 0.084 0.000 0.984 228 E CA 0.672 57.144 56.400 0.120 0.000 0.951 228 E CB -0.288 29.464 29.700 0.088 0.000 0.914 228 E HN 0.448 nan 8.360 nan 0.000 0.509 229 G N 2.686 111.525 108.800 0.066 0.000 2.233 229 G HA2 -0.331 3.628 3.960 -0.001 0.000 0.270 229 G HA3 -0.331 3.628 3.960 -0.001 0.000 0.270 229 G C 0.355 175.275 174.900 0.032 0.000 1.011 229 G CA 0.139 45.263 45.100 0.040 0.000 0.762 229 G HN 0.751 nan 8.290 nan 0.000 0.511 230 A N -0.716 122.118 122.820 0.024 0.000 2.386 230 A HA 0.580 4.900 4.320 -0.001 0.000 0.248 230 A C 1.112 178.688 177.584 -0.012 0.000 1.082 230 A CA 0.581 52.624 52.037 0.010 0.000 0.789 230 A CB 0.443 19.401 19.000 -0.069 0.000 1.025 230 A HN 0.223 nan 8.150 nan 0.000 0.490 231 D N -0.522 119.894 120.400 0.027 0.000 2.388 231 D HA 0.207 4.847 4.640 -0.001 0.000 0.208 231 D C -0.848 175.280 176.300 -0.286 0.000 1.035 231 D CA 1.104 55.047 54.000 -0.095 0.000 0.875 231 D CB 0.331 41.154 40.800 0.038 0.000 0.984 231 D HN 0.434 nan 8.370 nan 0.000 0.508 232 F N 0.744 120.739 119.950 0.076 0.000 2.581 232 F HA 0.357 4.883 4.527 -0.001 0.000 0.311 232 F C -0.526 175.311 175.800 0.061 0.000 1.113 232 F CA -0.950 57.123 58.000 0.121 0.000 0.935 232 F CB 2.261 41.347 39.000 0.143 0.000 1.232 232 F HN -0.331 nan 8.300 nan 0.000 0.445 233 I N 3.484 124.180 120.570 0.211 0.000 2.382 233 I HA 0.177 4.346 4.170 -0.001 0.000 0.286 233 I C -1.230 174.926 176.117 0.066 0.000 1.002 233 I CA -0.905 60.440 61.300 0.076 0.000 1.135 233 I CB 1.297 39.336 38.000 0.065 0.000 1.288 233 I HN 0.549 nan 8.210 nan 0.000 0.448 234 Y N 6.261 126.512 120.300 -0.081 0.000 2.587 234 Y HA 0.674 5.223 4.550 -0.001 0.000 0.328 234 Y C 0.177 175.964 175.900 -0.189 0.000 0.980 234 Y CA -0.695 57.213 58.100 -0.319 0.000 1.272 234 Y CB 1.090 39.151 38.460 -0.664 0.000 1.094 234 Y HN 0.650 nan 8.280 nan 0.000 0.503 235 A N 5.041 127.653 122.820 -0.346 0.000 2.304 235 A HA 0.808 5.127 4.320 -0.001 0.000 0.301 235 A C -0.886 176.475 177.584 -0.372 0.000 1.132 235 A CA -0.547 51.447 52.037 -0.070 0.000 0.819 235 A CB 0.898 20.075 19.000 0.295 0.000 1.094 235 A HN 0.614 nan 8.150 nan 0.000 0.492 236 K N 1.365 121.683 120.400 -0.137 0.000 2.592 236 K HA 0.158 4.478 4.320 -0.001 0.000 0.259 236 K C -1.443 175.140 176.600 -0.028 0.000 0.937 236 K CA -0.325 55.852 56.287 -0.183 0.000 0.874 236 K CB 0.886 33.235 32.500 -0.251 0.000 1.339 236 K HN 0.816 nan 8.250 nan 0.000 0.425 237 N N 3.088 121.701 118.700 -0.144 0.000 2.495 237 N HA 0.623 5.362 4.740 -0.001 0.000 0.280 237 N C -1.206 174.325 175.510 0.036 0.000 1.168 237 N CA -0.095 52.705 53.050 -0.418 0.000 0.978 237 N CB 0.783 38.987 38.487 -0.472 0.000 1.191 237 N HN 0.595 nan 8.380 nan 0.000 0.497 238 W N 0.748 122.034 121.300 -0.024 0.000 3.363 238 W HA 0.693 5.353 4.660 -0.001 0.000 0.306 238 W C -1.581 175.200 176.519 0.438 0.000 1.253 238 W CA -1.040 56.414 57.345 0.182 0.000 1.195 238 W CB 0.098 29.674 29.460 0.193 0.000 1.366 238 W HN 0.577 nan 8.180 nan 0.000 0.551 239 A N 2.406 125.586 122.820 0.600 0.000 2.313 239 A HA 0.750 5.069 4.320 -0.001 0.000 0.261 239 A C 0.669 178.525 177.584 0.453 0.000 1.090 239 A CA -0.117 52.200 52.037 0.466 0.000 0.807 239 A CB -0.075 19.044 19.000 0.198 0.000 1.055 239 A HN 1.687 nan 8.150 nan 0.000 0.492 240 A N -0.646 122.212 122.820 0.063 0.000 2.521 240 A HA 0.325 4.644 4.320 -0.001 0.000 0.237 240 A C 0.344 178.003 177.584 0.125 0.000 1.087 240 A CA 1.240 53.210 52.037 -0.111 0.000 0.777 240 A CB -0.162 18.606 19.000 -0.386 0.000 1.035 240 A HN 1.715 nan 8.150 nan 0.000 0.510 241 Y N 0.576 120.926 120.300 0.083 0.000 2.652 241 Y HA 0.357 4.906 4.550 -0.001 0.000 0.274 241 Y C 0.339 176.312 175.900 0.121 0.000 1.148 241 Y CA -0.192 58.036 58.100 0.213 0.000 1.219 241 Y CB 0.015 38.613 38.460 0.230 0.000 1.337 241 Y HN 0.450 nan 8.280 nan 0.000 0.490 242 L N 1.905 123.074 121.223 -0.090 0.000 2.485 242 L HA 0.187 4.526 4.340 -0.001 0.000 0.275 242 L C 1.598 178.347 176.870 -0.202 0.000 1.207 242 L CA 0.735 55.455 54.840 -0.199 0.000 0.855 242 L CB -0.080 41.968 42.059 -0.018 0.000 1.114 242 L HN 0.644 nan 8.230 nan 0.000 0.485 243 G N 2.810 111.477 108.800 -0.223 0.000 2.674 243 G HA2 -0.410 3.549 3.960 -0.001 0.000 0.375 243 G HA3 -0.410 3.549 3.960 -0.001 0.000 0.375 243 G C 0.712 175.542 174.900 -0.116 0.000 1.175 243 G CA 0.775 45.781 45.100 -0.157 0.000 0.925 243 G HN 0.817 nan 8.290 nan 0.000 0.606 244 D N 1.628 121.978 120.400 -0.083 0.000 2.384 244 D HA -0.034 4.605 4.640 -0.001 0.000 0.222 244 D C 1.585 177.846 176.300 -0.065 0.000 0.976 244 D CA 0.827 54.790 54.000 -0.062 0.000 0.915 244 D CB -0.144 40.624 40.800 -0.053 0.000 0.896 244 D HN 0.377 nan 8.370 nan 0.000 0.523 245 N N 0.093 118.741 118.700 -0.088 0.000 2.204 245 N HA -0.068 4.671 4.740 -0.001 0.000 0.219 245 N C 0.076 175.502 175.510 -0.139 0.000 1.151 245 N CA -0.323 52.656 53.050 -0.119 0.000 0.867 245 N CB 0.307 38.697 38.487 -0.162 0.000 1.043 245 N HN 0.187 nan 8.380 nan 0.000 0.516 246 Y N 2.228 122.392 120.300 -0.226 0.000 2.881 246 Y HA 0.092 4.641 4.550 -0.001 0.000 0.335 246 Y C 1.496 177.153 175.900 -0.405 0.000 1.263 246 Y CA 1.005 58.945 58.100 -0.266 0.000 1.572 246 Y CB -0.060 38.270 38.460 -0.217 0.000 1.237 246 Y HN 0.421 nan 8.280 nan 0.000 0.568 247 G N 4.469 112.411 108.800 -1.429 0.000 2.198 247 G HA2 -0.262 3.698 3.960 -0.001 0.000 0.260 247 G HA3 -0.262 3.698 3.960 -0.001 0.000 0.260 247 G C -0.150 174.248 174.900 -0.836 0.000 1.025 247 G CA 0.358 44.204 45.100 -2.091 0.000 0.769 247 G HN 0.705 nan 8.290 nan 0.000 0.507 248 Q N -1.187 118.348 119.800 -0.442 0.000 2.387 248 Q HA 0.628 4.967 4.340 -0.001 0.000 0.273 248 Q C 0.121 176.074 176.000 -0.078 0.000 1.089 248 Q CA -1.064 54.622 55.803 -0.195 0.000 0.824 248 Q CB 1.945 30.587 28.738 -0.161 0.000 1.367 248 Q HN 0.332 nan 8.270 nan 0.000 0.443 249 I N 3.155 123.736 120.570 0.019 0.000 2.322 249 I HA 0.004 4.173 4.170 -0.001 0.000 0.292 249 I C 0.890 177.046 176.117 0.066 0.000 1.060 249 I CA 0.150 61.528 61.300 0.131 0.000 1.309 249 I CB 0.446 38.541 38.000 0.158 0.000 1.415 249 I HN 0.539 nan 8.210 nan 0.000 0.492 250 L N 4.140 125.380 121.223 0.028 0.000 2.307 250 L HA 0.122 4.461 4.340 -0.001 0.000 0.211 250 L C 0.962 177.880 176.870 0.080 0.000 1.099 250 L CA 0.638 55.435 54.840 -0.071 0.000 0.816 250 L CB -0.011 41.818 42.059 -0.384 0.000 0.952 250 L HN 0.623 nan 8.230 nan 0.000 0.455 251 S N -1.151 114.700 115.700 0.252 0.000 2.588 251 S HA 0.424 4.893 4.470 -0.001 0.000 0.269 251 S C -0.173 174.635 174.600 0.346 0.000 1.157 251 S CA -0.084 58.249 58.200 0.222 0.000 0.824 251 S CB 1.800 65.061 63.200 0.102 0.000 1.126 251 S HN 0.130 nan 8.310 nan 0.000 0.464 252 T N -0.446 114.270 114.554 0.269 0.000 3.604 252 T HA 0.281 4.631 4.350 -0.001 0.000 0.305 252 T C -0.615 174.215 174.700 0.216 0.000 0.978 252 T CA -0.420 61.820 62.100 0.234 0.000 0.999 252 T CB -0.087 68.862 68.868 0.135 0.000 1.204 252 T HN 0.485 nan 8.240 nan 0.000 0.476 253 D N 2.035 122.613 120.400 0.296 0.000 2.383 253 D HA 0.049 4.689 4.640 -0.001 0.000 0.275 253 D C 1.166 177.655 176.300 0.315 0.000 1.344 253 D CA -0.154 54.025 54.000 0.298 0.000 0.984 253 D CB 0.664 41.694 40.800 0.383 0.000 1.104 253 D HN 0.335 nan 8.370 nan 0.000 0.524 254 R N 3.070 123.680 120.500 0.183 0.000 2.357 254 R HA -0.020 4.319 4.340 -0.001 0.000 0.202 254 R C 1.026 177.402 176.300 0.127 0.000 1.047 254 R CA 0.296 56.471 56.100 0.125 0.000 1.034 254 R CB 0.130 30.466 30.300 0.059 0.000 0.875 254 R HN 0.365 nan 8.270 nan 0.000 0.473 255 N N -0.849 117.958 118.700 0.177 0.000 2.457 255 N HA -0.130 4.609 4.740 -0.001 0.000 0.180 255 N C 0.339 175.865 175.510 0.027 0.000 1.050 255 N CA 0.826 53.916 53.050 0.067 0.000 0.906 255 N CB 0.029 38.534 38.487 0.029 0.000 0.968 255 N HN 0.313 nan 8.380 nan 0.000 0.445 256 W N 1.186 122.524 121.300 0.063 0.000 3.139 256 W HA 0.159 4.818 4.660 -0.001 0.000 0.260 256 W C 0.413 176.935 176.519 0.004 0.000 1.312 256 W CA 0.017 57.408 57.345 0.077 0.000 1.606 256 W CB -0.461 29.164 29.460 0.275 0.000 1.118 256 W HN -0.280 nan 8.180 nan 0.000 0.675 257 T N 1.994 116.641 114.554 0.157 0.000 2.792 257 T HA 0.035 4.385 4.350 -0.001 0.000 0.286 257 T C 0.449 175.156 174.700 0.011 0.000 0.970 257 T CA 0.038 62.170 62.100 0.053 0.000 1.187 257 T CB 0.550 69.419 68.868 0.002 0.000 0.915 257 T HN -0.372 nan 8.240 nan 0.000 0.529 258 V N 5.036 124.977 119.914 0.046 0.000 2.416 258 V HA 0.321 4.441 4.120 -0.001 0.000 0.267 258 V C 1.165 177.211 176.094 -0.079 0.000 1.007 258 V CA 0.232 62.547 62.300 0.025 0.000 1.102 258 V CB -0.512 31.438 31.823 0.212 0.000 1.035 258 V HN 1.035 nan 8.190 nan 0.000 0.473 259 G N 2.690 111.430 108.800 -0.100 0.000 3.016 259 G HA2 0.349 4.308 3.960 -0.001 0.000 0.270 259 G HA3 0.349 4.308 3.960 -0.001 0.000 0.270 259 G C 0.476 175.323 174.900 -0.088 0.000 1.352 259 G CA -0.218 44.820 45.100 -0.104 0.000 1.060 259 G HN 0.475 nan 8.290 nan 0.000 0.538 260 D N -0.729 119.625 120.400 -0.076 0.000 2.144 260 D HA -0.118 4.522 4.640 -0.001 0.000 0.199 260 D C 2.261 178.529 176.300 -0.053 0.000 0.984 260 D CA 0.762 54.730 54.000 -0.053 0.000 0.834 260 D CB -0.025 40.746 40.800 -0.048 0.000 0.955 260 D HN 0.427 nan 8.370 nan 0.000 0.465 261 R N -0.196 120.258 120.500 -0.076 0.000 2.113 261 R HA -0.249 4.090 4.340 -0.001 0.000 0.244 261 R C 2.074 178.307 176.300 -0.111 0.000 1.142 261 R CA 1.986 58.032 56.100 -0.089 0.000 0.953 261 R CB -0.017 30.218 30.300 -0.109 0.000 0.860 261 R HN 0.206 nan 8.270 nan 0.000 0.438 262 Q N -0.801 118.895 119.800 -0.174 0.000 2.123 262 Q HA 0.010 4.349 4.340 -0.001 0.000 0.196 262 Q C 2.105 178.124 176.000 0.032 0.000 0.958 262 Q CA 1.201 56.839 55.803 -0.275 0.000 0.841 262 Q CB -0.009 28.251 28.738 -0.797 0.000 0.915 262 Q HN 0.245 nan 8.270 nan 0.000 0.455 263 M N 0.433 120.098 119.600 0.109 0.000 2.149 263 M HA -0.109 4.370 4.480 -0.001 0.000 0.261 263 M C 2.206 178.578 176.300 0.121 0.000 1.064 263 M CA 1.670 57.093 55.300 0.205 0.000 1.102 263 M CB -1.310 31.362 32.600 0.120 0.000 1.369 263 M HN 0.320 nan 8.290 nan 0.000 0.408 264 A N -0.047 122.805 122.820 0.052 0.000 1.917 264 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 264 A C 2.304 179.914 177.584 0.043 0.000 1.182 264 A CA 2.035 54.089 52.037 0.028 0.000 0.633 264 A CB -1.017 17.984 19.000 0.001 0.000 0.819 264 A HN 0.343 nan 8.150 nan 0.000 0.448 265 V N 0.758 120.712 119.914 0.066 0.000 3.305 265 V HA -0.062 4.057 4.120 -0.001 0.000 0.269 265 V C 1.645 177.803 176.094 0.107 0.000 1.157 265 V CA 1.358 63.704 62.300 0.078 0.000 1.157 265 V CB -1.780 30.092 31.823 0.081 0.000 0.772 265 V HN 0.807 nan 8.190 nan 0.000 0.498 266 T N -2.027 112.605 114.554 0.130 0.000 2.824 266 T HA 0.088 4.437 4.350 -0.001 0.000 0.277 266 T C 0.479 175.194 174.700 0.026 0.000 0.975 266 T CA -0.470 61.685 62.100 0.091 0.000 0.966 266 T CB 0.612 69.534 68.868 0.091 0.000 1.054 266 T HN 0.311 nan 8.240 nan 0.000 0.533 267 N N 0.991 119.686 118.700 -0.008 0.000 3.091 267 N HA -0.015 4.724 4.740 -0.001 0.000 0.301 267 N C 0.366 175.821 175.510 -0.092 0.000 1.325 267 N CA -0.059 52.969 53.050 -0.038 0.000 1.143 267 N CB -0.969 37.497 38.487 -0.035 0.000 1.450 267 N HN 0.825 nan 8.380 nan 0.000 0.542 268 N N 0.150 118.802 118.700 -0.080 0.000 2.727 268 N HA -0.221 4.518 4.740 -0.001 0.000 0.249 268 N C -0.457 174.909 175.510 -0.240 0.000 1.048 268 N CA 0.017 52.990 53.050 -0.128 0.000 0.714 268 N CB -0.649 37.755 38.487 -0.139 0.000 0.959 268 N HN 0.445 nan 8.380 nan 0.000 0.544 269 A N 0.626 123.336 122.820 -0.182 0.000 2.448 269 A HA 0.308 4.627 4.320 -0.001 0.000 0.239 269 A C -0.034 177.404 177.584 -0.242 0.000 1.080 269 A CA 0.119 52.001 52.037 -0.258 0.000 0.779 269 A CB 0.198 19.131 19.000 -0.112 0.000 1.026 269 A HN 0.401 nan 8.150 nan 0.000 0.499 270 Y N -0.857 119.285 120.300 -0.264 0.000 2.300 270 Y HA 0.406 4.955 4.550 -0.001 0.000 0.328 270 Y C 0.020 175.967 175.900 0.079 0.000 1.270 270 Y CA 0.332 58.361 58.100 -0.118 0.000 1.352 270 Y CB 0.827 39.146 38.460 -0.235 0.000 1.286 270 Y HN 0.593 nan 8.280 nan 0.000 0.536 271 F N 3.104 123.170 119.950 0.192 0.000 2.458 271 F HA 0.629 5.156 4.527 -0.001 0.000 0.336 271 F C -1.031 174.854 175.800 0.141 0.000 1.114 271 F CA -1.113 56.977 58.000 0.150 0.000 0.987 271 F CB 0.749 39.814 39.000 0.108 0.000 1.130 271 F HN 0.360 nan 8.300 nan 0.000 0.458 272 M N 5.751 124.884 119.600 -0.779 0.000 2.591 272 M HA 0.397 4.876 4.480 -0.001 0.000 0.306 272 M C -1.544 174.229 176.300 -0.878 0.000 1.190 272 M CA -0.713 54.258 55.300 -0.549 0.000 0.889 272 M CB 2.415 34.972 32.600 -0.071 0.000 1.728 272 M HN 0.627 nan 8.290 nan 0.000 0.458 273 H N 0.277 118.975 119.070 -0.620 0.000 3.140 273 H HA 0.172 4.728 4.556 -0.001 0.000 0.336 273 H C -0.023 175.106 175.328 -0.333 0.000 1.142 273 H CA -0.726 54.967 56.048 -0.591 0.000 1.308 273 H CB 1.712 31.270 29.762 -0.341 0.000 1.970 273 H HN 1.042 nan 8.280 nan 0.000 0.521 274 C N 2.832 121.938 119.300 -0.323 0.000 2.456 274 C HA 0.257 4.716 4.460 -0.001 0.000 0.279 274 C C 0.630 175.695 174.990 0.125 0.000 1.427 274 C CA -0.105 58.872 59.018 -0.069 0.000 1.778 274 C CB -1.409 26.255 27.740 -0.126 0.000 1.842 274 C HN 0.630 nan 8.230 nan 0.000 0.531 275 L N -1.088 120.380 121.223 0.409 0.000 0.588 275 L HA -0.082 4.258 4.340 -0.001 0.000 0.356 275 L C -2.328 174.639 176.870 0.162 0.000 1.005 275 L CA 0.236 55.190 54.840 0.190 0.000 1.223 275 L CB -1.604 40.502 42.059 0.080 0.000 0.021 275 L HN 0.151 nan 8.230 nan 0.000 0.093 276 P HA 0.420 nan 4.420 nan 0.000 0.269 276 P C -1.057 176.229 177.300 -0.024 0.000 1.215 276 P CA -0.299 62.833 63.100 0.053 0.000 0.780 276 P CB 0.662 32.406 31.700 0.073 0.000 0.898 277 V N 2.134 121.955 119.914 -0.154 0.000 2.638 277 V HA 0.429 4.548 4.120 -0.001 0.000 0.306 277 V C 0.092 176.091 176.094 -0.158 0.000 1.052 277 V CA -0.841 61.267 62.300 -0.321 0.000 0.885 277 V CB 1.969 33.468 31.823 -0.541 0.000 0.999 277 V HN 0.369 nan 8.190 nan 0.000 0.424 278 R N 3.264 123.686 120.500 -0.130 0.000 2.196 278 R HA 0.439 4.778 4.340 -0.001 0.000 0.340 278 R C -0.003 176.222 176.300 -0.125 0.000 1.043 278 R CA -0.507 55.516 56.100 -0.127 0.000 0.883 278 R CB 0.812 30.996 30.300 -0.194 0.000 1.078 278 R HN 0.622 nan 8.270 nan 0.000 0.462 279 R N 2.694 123.130 120.500 -0.106 0.000 2.623 279 R HA -0.018 4.321 4.340 -0.001 0.000 0.271 279 R C 0.192 176.437 176.300 -0.092 0.000 1.043 279 R CA -0.137 55.904 56.100 -0.098 0.000 1.083 279 R CB 0.267 30.519 30.300 -0.081 0.000 0.974 279 R HN 0.712 nan 8.270 nan 0.000 0.436 280 N N 1.187 119.832 118.700 -0.091 0.000 2.747 280 N HA -0.200 4.539 4.740 -0.001 0.000 0.249 280 N C -0.181 175.282 175.510 -0.077 0.000 1.107 280 N CA 1.161 54.164 53.050 -0.078 0.000 0.707 280 N CB -0.393 38.054 38.487 -0.066 0.000 1.054 280 N HN 0.588 nan 8.380 nan 0.000 0.555 281 M N -1.388 118.158 119.600 -0.090 0.000 2.199 281 M HA 0.238 4.718 4.480 -0.001 0.000 0.191 281 M C 1.586 177.829 176.300 -0.095 0.000 1.744 281 M CA 0.301 55.538 55.300 -0.104 0.000 1.005 281 M CB -0.208 32.298 32.600 -0.157 0.000 1.478 281 M HN -0.048 nan 8.290 nan 0.000 0.585 282 I N -0.460 120.060 120.570 -0.083 0.000 2.429 282 I HA 0.124 4.294 4.170 -0.001 0.000 0.247 282 I C 0.923 177.052 176.117 0.020 0.000 1.099 282 I CA 0.862 62.148 61.300 -0.023 0.000 1.422 282 I CB -0.027 37.994 38.000 0.034 0.000 1.112 282 I HN 0.070 nan 8.210 nan 0.000 0.430 283 V N -0.184 119.701 119.914 -0.048 0.000 3.012 283 V HA 0.361 4.481 4.120 -0.001 0.000 0.307 283 V C -0.307 175.683 176.094 -0.174 0.000 1.166 283 V CA -0.471 61.740 62.300 -0.149 0.000 0.974 283 V CB 2.215 33.828 31.823 -0.350 0.000 1.040 283 V HN 0.196 nan 8.190 nan 0.000 0.428 284 T N 3.919 118.360 114.554 -0.189 0.000 2.926 284 T HA 0.084 4.433 4.350 -0.001 0.000 0.307 284 T C 0.757 175.366 174.700 -0.152 0.000 1.059 284 T CA 0.282 62.294 62.100 -0.146 0.000 1.122 284 T CB 0.534 69.325 68.868 -0.129 0.000 0.972 284 T HN 0.852 nan 8.240 nan 0.000 0.545 285 D N 1.801 122.137 120.400 -0.107 0.000 2.106 285 D HA -0.125 4.514 4.640 -0.001 0.000 0.191 285 D C 1.802 178.048 176.300 -0.091 0.000 0.997 285 D CA 1.300 55.247 54.000 -0.089 0.000 0.834 285 D CB -0.067 40.694 40.800 -0.064 0.000 0.956 285 D HN 0.566 nan 8.370 nan 0.000 0.448 286 D N 0.224 120.574 120.400 -0.085 0.000 2.123 286 D HA -0.115 4.524 4.640 -0.001 0.000 0.196 286 D C 2.332 178.575 176.300 -0.094 0.000 0.992 286 D CA 0.618 54.574 54.000 -0.073 0.000 0.833 286 D CB -0.233 40.529 40.800 -0.063 0.000 0.954 286 D HN 0.118 nan 8.370 nan 0.000 0.455 287 V N 1.644 121.469 119.914 -0.149 0.000 2.261 287 V HA -0.202 3.917 4.120 -0.001 0.000 0.246 287 V C 2.570 178.527 176.094 -0.229 0.000 1.047 287 V CA 1.104 63.278 62.300 -0.210 0.000 1.015 287 V CB -0.360 31.253 31.823 -0.350 0.000 0.642 287 V HN 0.152 nan 8.190 nan 0.000 0.446 288 I N -0.204 120.204 120.570 -0.271 0.000 2.493 288 I HA -0.209 3.960 4.170 -0.001 0.000 0.254 288 I C 2.329 178.431 176.117 -0.026 0.000 1.160 288 I CA 1.511 62.726 61.300 -0.141 0.000 1.445 288 I CB 0.001 37.935 38.000 -0.111 0.000 1.086 288 I HN 0.437 nan 8.210 nan 0.000 0.433 289 E N 0.167 120.342 120.200 -0.042 0.000 2.442 289 E HA -0.017 4.333 4.350 -0.001 0.000 0.195 289 E C 1.000 177.602 176.600 0.004 0.000 1.030 289 E CA 0.227 56.620 56.400 -0.011 0.000 0.869 289 E CB 0.091 29.778 29.700 -0.021 0.000 0.857 289 E HN 0.484 nan 8.360 nan 0.000 0.505 290 S N 1.698 117.396 115.700 -0.003 0.000 2.584 290 S HA 0.055 4.525 4.470 -0.001 0.000 0.270 290 S C -1.345 173.285 174.600 0.051 0.000 1.346 290 S CA -1.131 57.078 58.200 0.014 0.000 1.018 290 S CB 0.847 64.048 63.200 0.001 0.000 0.899 290 S HN -0.135 nan 8.310 nan 0.000 0.542 291 P HA -0.048 nan 4.420 nan 0.000 0.226 291 P C 0.734 178.118 177.300 0.140 0.000 1.153 291 P CA 0.903 64.057 63.100 0.090 0.000 0.777 291 P CB 0.027 31.771 31.700 0.073 0.000 0.794 292 Q N -0.153 119.718 119.800 0.118 0.000 2.436 292 Q HA 0.044 4.383 4.340 -0.001 0.000 0.209 292 Q C 1.087 177.256 176.000 0.282 0.000 0.965 292 Q CA 0.387 56.290 55.803 0.166 0.000 0.910 292 Q CB -0.701 28.068 28.738 0.052 0.000 0.980 292 Q HN 0.098 nan 8.270 nan 0.000 0.491 293 S N 0.702 116.535 115.700 0.220 0.000 2.448 293 S HA 0.238 4.707 4.470 -0.001 0.000 0.279 293 S C 0.593 175.280 174.600 0.145 0.000 1.195 293 S CA -0.514 57.839 58.200 0.255 0.000 1.051 293 S CB 0.013 63.344 63.200 0.218 0.000 0.948 293 S HN 0.402 nan 8.310 nan 0.000 0.493 294 I N 3.463 124.067 120.570 0.058 0.000 3.816 294 I HA 0.303 4.472 4.170 -0.001 0.000 0.334 294 I C 1.127 177.183 176.117 -0.102 0.000 1.551 294 I CA -0.377 60.833 61.300 -0.151 0.000 1.153 294 I CB 0.048 37.709 38.000 -0.566 0.000 1.197 294 I HN 0.376 nan 8.210 nan 0.000 0.439 295 V N 1.441 121.361 119.914 0.011 0.000 2.278 295 V HA -0.306 3.813 4.120 -0.001 0.000 0.251 295 V C 2.432 178.523 176.094 -0.006 0.000 1.062 295 V CA 2.402 64.712 62.300 0.017 0.000 1.038 295 V CB -0.230 31.651 31.823 0.098 0.000 0.646 295 V HN 0.490 nan 8.190 nan 0.000 0.447 296 I N -0.512 120.060 120.570 0.002 0.000 2.193 296 I HA -0.064 4.105 4.170 -0.001 0.000 0.240 296 I C -0.172 175.938 176.117 -0.011 0.000 1.084 296 I CA 1.568 62.870 61.300 0.003 0.000 1.365 296 I CB -1.708 36.303 38.000 0.019 0.000 1.064 296 I HN 0.304 nan 8.210 nan 0.000 0.410 297 P HA -0.199 nan 4.420 nan 0.000 0.217 297 P C 1.622 178.897 177.300 -0.041 0.000 1.148 297 P CA 1.385 64.483 63.100 -0.003 0.000 0.828 297 P CB 0.059 31.753 31.700 -0.011 0.000 0.783 298 E N -0.346 119.803 120.200 -0.084 0.000 2.007 298 E HA -0.200 4.150 4.350 -0.001 0.000 0.194 298 E C 2.045 178.605 176.600 -0.067 0.000 0.999 298 E CA 1.229 57.579 56.400 -0.083 0.000 0.811 298 E CB -0.610 29.043 29.700 -0.078 0.000 0.762 298 E HN 0.019 nan 8.360 nan 0.000 0.450 299 A N 1.368 124.162 122.820 -0.044 0.000 1.927 299 A HA -0.274 4.045 4.320 -0.001 0.000 0.220 299 A C 2.413 179.970 177.584 -0.044 0.000 1.185 299 A CA 2.473 54.491 52.037 -0.033 0.000 0.639 299 A CB -1.057 17.938 19.000 -0.009 0.000 0.820 299 A HN 0.459 nan 8.150 nan 0.000 0.451 300 A N -0.020 122.777 122.820 -0.038 0.000 1.917 300 A HA -0.268 4.052 4.320 -0.001 0.000 0.219 300 A C 1.849 179.385 177.584 -0.080 0.000 1.182 300 A CA 1.860 53.873 52.037 -0.041 0.000 0.633 300 A CB -0.971 18.019 19.000 -0.017 0.000 0.819 300 A HN 0.747 nan 8.150 nan 0.000 0.448 301 N N -1.010 117.629 118.700 -0.103 0.000 2.519 301 N HA -0.108 4.631 4.740 -0.001 0.000 0.186 301 N C 1.647 177.024 175.510 -0.222 0.000 1.062 301 N CA 0.164 53.109 53.050 -0.176 0.000 0.910 301 N CB -0.040 38.333 38.487 -0.190 0.000 0.958 301 N HN 0.260 nan 8.380 nan 0.000 0.445 302 R N 1.171 121.574 120.500 -0.161 0.000 2.152 302 R HA -0.126 4.213 4.340 -0.001 0.000 0.232 302 R C 1.791 177.994 176.300 -0.161 0.000 1.117 302 R CA 0.842 56.849 56.100 -0.154 0.000 0.981 302 R CB -0.405 29.848 30.300 -0.078 0.000 0.870 302 R HN 0.520 nan 8.270 nan 0.000 0.451 303 E N 0.284 120.397 120.200 -0.145 0.000 2.106 303 E HA -0.135 4.214 4.350 -0.001 0.000 0.192 303 E C 1.733 178.206 176.600 -0.210 0.000 0.984 303 E CA 0.742 57.055 56.400 -0.146 0.000 0.806 303 E CB 0.177 29.805 29.700 -0.120 0.000 0.750 303 E HN 0.056 nan 8.360 nan 0.000 0.458 304 I N 1.432 121.848 120.570 -0.258 0.000 2.133 304 I HA -0.248 3.921 4.170 -0.001 0.000 0.238 304 I C 2.798 178.648 176.117 -0.445 0.000 1.074 304 I CA 1.538 62.640 61.300 -0.330 0.000 1.342 304 I CB -1.835 35.941 38.000 -0.374 0.000 1.053 304 I HN 0.179 nan 8.210 nan 0.000 0.404 305 S N 1.932 117.275 115.700 -0.595 0.000 2.380 305 S HA -0.230 4.239 4.470 -0.001 0.000 0.229 305 S C 2.230 176.567 174.600 -0.438 0.000 1.043 305 S CA 1.501 59.203 58.200 -0.829 0.000 1.038 305 S CB -0.944 61.822 63.200 -0.723 0.000 0.872 305 S HN 0.441 nan 8.310 nan 0.000 0.456 306 A N 1.745 124.371 122.820 -0.324 0.000 1.873 306 A HA -0.008 4.311 4.320 -0.001 0.000 0.215 306 A C 2.478 179.876 177.584 -0.310 0.000 1.186 306 A CA 2.011 53.869 52.037 -0.299 0.000 0.616 306 A CB -1.662 17.221 19.000 -0.195 0.000 0.823 306 A HN 0.574 nan 8.150 nan 0.000 0.442 307 T N -0.202 114.196 114.554 -0.260 0.000 2.720 307 T HA -0.128 4.221 4.350 -0.001 0.000 0.268 307 T C 1.888 176.458 174.700 -0.216 0.000 1.037 307 T CA 1.615 63.583 62.100 -0.219 0.000 1.144 307 T CB -0.453 68.298 68.868 -0.195 0.000 0.864 307 T HN 0.157 nan 8.240 nan 0.000 0.444 308 V N 1.169 120.951 119.914 -0.220 0.000 2.237 308 V HA -0.158 3.962 4.120 -0.001 0.000 0.245 308 V C 2.689 178.671 176.094 -0.187 0.000 1.046 308 V CA 1.423 63.633 62.300 -0.151 0.000 1.007 308 V CB -0.801 31.003 31.823 -0.032 0.000 0.638 308 V HN 0.303 nan 8.190 nan 0.000 0.445 309 V N -0.494 119.253 119.914 -0.278 0.000 2.287 309 V HA -0.270 3.849 4.120 -0.001 0.000 0.248 309 V C 2.417 178.275 176.094 -0.392 0.000 1.053 309 V CA 1.878 63.892 62.300 -0.476 0.000 1.027 309 V CB -0.665 30.607 31.823 -0.918 0.000 0.646 309 V HN 0.388 nan 8.190 nan 0.000 0.447 310 L N 0.106 121.090 121.223 -0.397 0.000 2.017 310 L HA -0.181 4.159 4.340 -0.001 0.000 0.208 310 L C 2.455 179.208 176.870 -0.194 0.000 1.073 310 L CA 2.143 56.798 54.840 -0.308 0.000 0.745 310 L CB -1.054 40.841 42.059 -0.274 0.000 0.894 310 L HN 0.373 nan 8.230 nan 0.000 0.432 311 K N -1.043 119.241 120.400 -0.195 0.000 2.009 311 K HA -0.212 4.107 4.320 -0.001 0.000 0.210 311 K C 2.256 178.756 176.600 -0.167 0.000 1.049 311 K CA 1.259 57.434 56.287 -0.187 0.000 0.929 311 K CB -0.026 32.324 32.500 -0.250 0.000 0.714 311 K HN 0.123 nan 8.250 nan 0.000 0.440 312 R N 0.842 121.245 120.500 -0.162 0.000 2.094 312 R HA -0.158 4.181 4.340 -0.001 0.000 0.239 312 R C 2.487 178.732 176.300 -0.092 0.000 1.137 312 R CA 1.575 57.604 56.100 -0.118 0.000 0.943 312 R CB -1.165 29.074 30.300 -0.102 0.000 0.850 312 R HN 0.351 nan 8.270 nan 0.000 0.433 313 L N 0.693 121.860 121.223 -0.093 0.000 2.013 313 L HA -0.217 4.123 4.340 -0.001 0.000 0.212 313 L C 2.672 179.515 176.870 -0.046 0.000 1.073 313 L CA 1.274 56.085 54.840 -0.048 0.000 0.753 313 L CB -0.613 41.430 42.059 -0.026 0.000 0.890 313 L HN 0.153 nan 8.230 nan 0.000 0.432 314 L N -0.315 120.873 121.223 -0.059 0.000 1.989 314 L HA -0.247 4.093 4.340 -0.001 0.000 0.211 314 L C 2.605 179.444 176.870 -0.051 0.000 1.071 314 L CA 1.524 56.338 54.840 -0.043 0.000 0.749 314 L CB -0.557 41.474 42.059 -0.047 0.000 0.890 314 L HN 0.301 nan 8.230 nan 0.000 0.431 315 E N -0.455 119.702 120.200 -0.071 0.000 2.219 315 E HA -0.270 4.079 4.350 -0.001 0.000 0.198 315 E C 1.359 177.912 176.600 -0.078 0.000 0.998 315 E CA 1.270 57.629 56.400 -0.068 0.000 0.818 315 E CB -0.325 29.328 29.700 -0.080 0.000 0.741 315 E HN 0.529 nan 8.360 nan 0.000 0.477 316 N N 0.174 118.815 118.700 -0.097 0.000 2.235 316 N HA 0.082 4.821 4.740 -0.001 0.000 0.209 316 N C -0.305 175.137 175.510 -0.114 0.000 1.122 316 N CA -0.309 52.646 53.050 -0.159 0.000 0.845 316 N CB 0.372 38.739 38.487 -0.199 0.000 1.004 316 N HN -0.007 nan 8.380 nan 0.000 0.499 317 L N 2.567 123.752 121.223 -0.064 0.000 2.426 317 L HA 0.237 4.576 4.340 -0.001 0.000 0.271 317 L C -1.210 175.638 176.870 -0.038 0.000 1.169 317 L CA -1.369 53.449 54.840 -0.036 0.000 0.836 317 L CB 0.216 42.267 42.059 -0.013 0.000 1.112 317 L HN 0.194 nan 8.230 nan 0.000 0.465 318 P HA 0.000 nan 4.420 nan 0.000 0.216 318 P CA 0.000 63.087 63.100 -0.021 0.000 0.800 318 P CB 0.000 31.693 31.700 -0.012 0.000 0.726