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 1pyg_1_C DATA FIRST_RESID 10 DATA SEQUENCE RKQISVRGLA GVENVTELKK NFNRHLHFTL VKDRNVATPR DYYFALAHTV DATA SEQUENCE RDHLVGRWIR TQQHYYEKDP KRIYYLSLEF YMGRTLQNTM VNLALENACD DATA SEQUENCE EATYQLGLDM EELEEIEEDA GLGNGGLGRL AACFLDSMAT LGLAAYGYGI DATA SEQUENCE RYEFGIFNQK ICGGWQMEEA DDWLRYGNPW EKARPEFTLP VHFYGRVEHT DATA SEQUENCE SQGAKWVDTQ VVLAMPYDTP VPGYRNNVVN TMRLWSAKAP XXXXXXXXXX DATA SEQUENCE XXXXQAVLDR NLAENISXXX XXXXXXXXXK ELRLKQEYFV VAATLQDIIR DATA SEQUENCE RFKSSKFGCR DPVRTNFDAF PDKVAIQLND THPSLAIPEL MRVLVDLERL DATA SEQUENCE DWDKAWEVTV KTCAYTNHTV LPEALERWPV HLLETLLPRH LQIIYEINQR DATA SEQUENCE FLNRVAAAFP GDVDRLRRMS LVEEGAVKRI NMAHLCIAGS HAVNGVARIH DATA SEQUENCE SEILKKTIFK DFYELEPHKF QNKTNGITPR RWLVLCNPGL AEIIAERIGE DATA SEQUENCE EYISDLDQLR KLLSYVDDEA FIRDVAKVKQ ENKLKFAAYL EREYKVHINP DATA SEQUENCE NSLFDVQVKR IHEYKRQLLN CLHVITLYNR IKKEPNKFVV PRTVMIGGKA DATA SEQUENCE APGYHMAKMI IKLITAIGDV VNHDPVVGDR LRVIFLENYR VSLAEKVIPA DATA SEQUENCE ADLSEQISTA GTEASGTGNM KFMLNGALTI GTMDGANVEM AEEAGEENFF DATA SEQUENCE IFGMRVEDVD RLDQRGYNAQ EYYDRIPELR QIIEQLSSGF FSPKQPDLFK DATA SEQUENCE DIVNMLMHHD RFKVFADYEE YVKCQERVSA LYKNPREWTR MVIRNIATSG DATA SEQUENCE KFSSDRTIAQ YAREIWGVEP SRQRLPA 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 10 R HA 0.000 nan 4.340 nan 0.000 0.208 10 R C 0.000 176.300 176.300 0.001 0.000 0.893 10 R CA 0.000 56.097 56.100 -0.005 0.000 0.921 10 R CB 0.000 30.296 30.300 -0.007 0.000 0.687 11 K N -0.515 119.888 120.400 0.006 0.000 6.035 11 K HA -0.369 3.950 4.320 -0.001 0.000 0.451 11 K C 1.370 177.977 176.600 0.011 0.000 0.399 11 K CA 2.273 58.567 56.287 0.013 0.000 1.899 11 K CB -1.106 31.402 32.500 0.013 0.000 0.814 11 K HN 0.748 nan 8.250 nan 0.000 0.694 12 Q N 1.043 120.846 119.800 0.006 0.000 2.369 12 Q HA 0.059 4.398 4.340 -0.001 0.000 0.206 12 Q C 0.044 176.046 176.000 0.004 0.000 0.963 12 Q CA 0.563 56.368 55.803 0.004 0.000 0.894 12 Q CB 0.201 28.939 28.738 -0.000 0.000 0.965 12 Q HN 0.436 nan 8.270 nan 0.000 0.475 13 I N 1.603 122.175 120.570 0.003 0.000 2.311 13 I HA 0.065 4.234 4.170 -0.001 0.000 0.297 13 I C -0.155 175.968 176.117 0.010 0.000 1.131 13 I CA -0.159 61.143 61.300 0.003 0.000 1.289 13 I CB 0.690 38.689 38.000 -0.002 0.000 1.446 13 I HN 0.015 nan 8.210 nan 0.000 0.524 14 S N 3.804 119.511 115.700 0.013 0.000 2.720 14 S HA 0.471 4.940 4.470 -0.001 0.000 0.287 14 S C 0.671 175.285 174.600 0.023 0.000 1.168 14 S CA -0.690 57.522 58.200 0.021 0.000 0.832 14 S CB 1.796 65.009 63.200 0.021 0.000 1.166 14 S HN 0.253 nan 8.310 nan 0.000 0.493 15 V N 1.415 121.347 119.914 0.030 0.000 3.235 15 V HA 0.337 4.457 4.120 -0.001 0.000 0.259 15 V C 1.352 177.460 176.094 0.023 0.000 1.133 15 V CA 0.380 62.698 62.300 0.030 0.000 1.128 15 V CB -1.154 30.693 31.823 0.040 0.000 0.757 15 V HN 0.870 nan 8.190 nan 0.000 0.469 16 R N 2.204 122.716 120.500 0.021 0.000 4.730 16 R HA -0.147 4.193 4.340 -0.001 0.000 0.137 16 R C 1.392 177.701 176.300 0.014 0.000 0.240 16 R CA 0.960 57.070 56.100 0.017 0.000 0.890 16 R CB -1.198 29.110 30.300 0.014 0.000 0.980 16 R HN 0.789 nan 8.270 nan 0.000 0.263 17 G N 2.929 111.738 108.800 0.016 0.000 2.166 17 G HA2 -0.325 3.635 3.960 -0.001 0.000 0.260 17 G HA3 -0.325 3.635 3.960 -0.001 0.000 0.260 17 G C 0.688 175.596 174.900 0.013 0.000 0.986 17 G CA 0.438 45.548 45.100 0.017 0.000 0.683 17 G HN 0.570 nan 8.290 nan 0.000 0.527 18 L N -0.263 120.964 121.223 0.007 0.000 2.131 18 L HA 0.026 4.366 4.340 -0.001 0.000 0.210 18 L C 3.256 180.117 176.870 -0.015 0.000 1.092 18 L CA 1.782 56.621 54.840 -0.002 0.000 0.759 18 L CB -0.605 41.452 42.059 -0.003 0.000 0.903 18 L HN 0.396 nan 8.230 nan 0.000 0.435 19 A N -0.115 122.691 122.820 -0.024 0.000 1.908 19 A HA 0.146 4.466 4.320 -0.001 0.000 0.218 19 A C 1.541 179.113 177.584 -0.019 0.000 1.181 19 A CA 1.280 53.268 52.037 -0.082 0.000 0.627 19 A CB -0.957 18.000 19.000 -0.072 0.000 0.818 19 A HN 0.515 nan 8.150 nan 0.000 0.445 20 G N -2.030 106.793 108.800 0.039 0.000 2.750 20 G HA2 0.018 3.977 3.960 -0.001 0.000 0.228 20 G HA3 0.018 3.977 3.960 -0.001 0.000 0.228 20 G C 0.139 175.123 174.900 0.140 0.000 1.367 20 G CA 0.434 45.579 45.100 0.075 0.000 0.871 20 G HN 1.765 nan 8.290 nan 0.000 0.560 21 V N -2.160 117.826 119.914 0.120 0.000 2.881 21 V HA 0.608 4.728 4.120 -0.001 0.000 0.303 21 V C 0.751 176.929 176.094 0.140 0.000 1.070 21 V CA 0.138 62.503 62.300 0.108 0.000 1.074 21 V CB 1.589 33.452 31.823 0.066 0.000 1.012 21 V HN 0.746 nan 8.190 nan 0.000 0.482 22 E N 2.966 123.203 120.200 0.062 0.000 2.201 22 E HA 0.249 4.598 4.350 -0.001 0.000 0.272 22 E C -0.611 175.984 176.600 -0.008 0.000 1.228 22 E CA -0.096 56.283 56.400 -0.034 0.000 1.305 22 E CB -0.238 29.399 29.700 -0.104 0.000 1.381 22 E HN 0.930 nan 8.360 nan 0.000 0.475 23 N N -1.968 116.750 118.700 0.029 0.000 2.380 23 N HA 0.127 4.867 4.740 -0.001 0.000 0.290 23 N C 0.488 176.021 175.510 0.039 0.000 1.236 23 N CA -0.903 52.163 53.050 0.026 0.000 0.780 23 N CB 1.129 39.635 38.487 0.031 0.000 1.438 23 N HN -0.163 nan 8.380 nan 0.000 0.491 24 V N 0.115 120.047 119.914 0.031 0.000 2.407 24 V HA -0.203 3.917 4.120 -0.001 0.000 0.248 24 V C 1.990 178.113 176.094 0.048 0.000 1.055 24 V CA 2.297 64.619 62.300 0.036 0.000 1.049 24 V CB -1.012 30.826 31.823 0.025 0.000 0.662 24 V HN 0.873 nan 8.190 nan 0.000 0.455 25 T N -0.748 113.834 114.554 0.046 0.000 2.708 25 T HA -0.217 4.133 4.350 -0.001 0.000 0.266 25 T C 1.931 176.674 174.700 0.070 0.000 1.037 25 T CA 1.876 64.006 62.100 0.050 0.000 1.146 25 T CB -0.138 68.755 68.868 0.041 0.000 0.865 25 T HN 0.448 nan 8.240 nan 0.000 0.435 26 E N 0.528 120.776 120.200 0.079 0.000 2.047 26 E HA -0.026 4.323 4.350 -0.001 0.000 0.191 26 E C 2.061 178.744 176.600 0.138 0.000 0.987 26 E CA 0.546 57.007 56.400 0.102 0.000 0.799 26 E CB -0.391 29.372 29.700 0.106 0.000 0.752 26 E HN 0.160 nan 8.360 nan 0.000 0.449 27 L N 0.873 122.182 121.223 0.144 0.000 2.079 27 L HA -0.204 4.136 4.340 -0.001 0.000 0.210 27 L C 1.887 178.878 176.870 0.201 0.000 1.081 27 L CA 1.817 56.766 54.840 0.181 0.000 0.752 27 L CB -0.744 41.392 42.059 0.129 0.000 0.896 27 L HN 0.200 nan 8.230 nan 0.000 0.433 28 K N -0.680 119.804 120.400 0.140 0.000 2.167 28 K HA -0.126 4.193 4.320 -0.001 0.000 0.203 28 K C 2.049 178.758 176.600 0.182 0.000 1.052 28 K CA 0.678 57.046 56.287 0.134 0.000 0.956 28 K CB 0.086 32.620 32.500 0.056 0.000 0.735 28 K HN 0.276 nan 8.250 nan 0.000 0.451 29 K N 0.955 121.443 120.400 0.146 0.000 2.002 29 K HA -0.074 4.245 4.320 -0.001 0.000 0.209 29 K C 1.822 178.512 176.600 0.151 0.000 1.048 29 K CA 1.323 57.690 56.287 0.133 0.000 0.930 29 K CB -0.078 32.482 32.500 0.099 0.000 0.714 29 K HN 0.107 nan 8.250 nan 0.000 0.438 30 N N 0.401 119.198 118.700 0.161 0.000 2.289 30 N HA -0.163 4.576 4.740 -0.001 0.000 0.184 30 N C 1.646 177.290 175.510 0.222 0.000 1.016 30 N CA 0.955 54.088 53.050 0.138 0.000 0.872 30 N CB -0.202 38.402 38.487 0.196 0.000 0.973 30 N HN 0.113 nan 8.380 nan 0.000 0.433 31 F N 2.265 122.308 119.950 0.155 0.000 2.113 31 F HA 0.013 4.539 4.527 -0.001 0.000 0.297 31 F C 2.066 177.926 175.800 0.100 0.000 1.103 31 F CA 1.143 59.242 58.000 0.164 0.000 1.248 31 F CB -0.355 38.721 39.000 0.126 0.000 0.999 31 F HN -0.000 nan 8.300 nan 0.000 0.475 32 N N 0.159 119.090 118.700 0.385 0.000 2.166 32 N HA -0.226 4.514 4.740 -0.001 0.000 0.186 32 N C 2.128 177.698 175.510 0.100 0.000 1.019 32 N CA 1.115 54.325 53.050 0.267 0.000 0.856 32 N CB -0.260 38.384 38.487 0.262 0.000 0.993 32 N HN 0.304 nan 8.380 nan 0.000 0.426 33 R N 0.298 120.832 120.500 0.057 0.000 2.081 33 R HA -0.113 4.227 4.340 -0.001 0.000 0.235 33 R C 2.060 178.274 176.300 -0.143 0.000 1.131 33 R CA 1.228 57.333 56.100 0.008 0.000 0.960 33 R CB -0.062 30.250 30.300 0.021 0.000 0.856 33 R HN 0.346 nan 8.270 nan 0.000 0.436 34 H N 0.153 119.164 119.070 -0.099 0.000 2.307 34 H HA -0.120 4.436 4.556 -0.001 0.000 0.303 34 H C 2.064 177.199 175.328 -0.321 0.000 1.073 34 H CA 1.527 57.447 56.048 -0.214 0.000 1.338 34 H CB -0.326 29.283 29.762 -0.255 0.000 1.389 34 H HN 0.171 nan 8.280 nan 0.000 0.503 35 L N 0.785 121.816 121.223 -0.320 0.000 2.129 35 L HA -0.212 4.127 4.340 -0.001 0.000 0.212 35 L C 2.255 178.845 176.870 -0.467 0.000 1.087 35 L CA 1.724 56.306 54.840 -0.430 0.000 0.757 35 L CB -0.425 41.341 42.059 -0.489 0.000 0.896 35 L HN 0.253 nan 8.230 nan 0.000 0.434 36 H N -1.515 117.353 119.070 -0.335 0.000 2.300 36 H HA 0.041 4.597 4.556 -0.001 0.000 0.312 36 H C 2.061 177.076 175.328 -0.522 0.000 1.057 36 H CA 2.002 57.736 56.048 -0.523 0.000 1.380 36 H CB -0.462 28.785 29.762 -0.859 0.000 1.424 36 H HN 0.322 nan 8.280 nan 0.000 0.534 37 F N 0.769 120.738 119.950 0.031 0.000 2.270 37 F HA -0.031 4.496 4.527 -0.001 0.000 0.295 37 F C 2.586 178.335 175.800 -0.085 0.000 1.087 37 F CA 0.925 58.903 58.000 -0.037 0.000 1.365 37 F CB -0.838 38.124 39.000 -0.063 0.000 1.056 37 F HN 0.062 nan 8.300 nan 0.000 0.506 38 T N 0.730 115.287 114.554 0.005 0.000 2.732 38 T HA -0.028 4.321 4.350 -0.001 0.000 0.261 38 T C 2.023 176.621 174.700 -0.169 0.000 1.040 38 T CA 1.154 63.185 62.100 -0.114 0.000 1.145 38 T CB -0.510 68.216 68.868 -0.236 0.000 0.866 38 T HN 0.159 nan 8.240 nan 0.000 0.427 39 L N 1.018 122.131 121.223 -0.184 0.000 2.529 39 L HA 0.238 4.577 4.340 -0.001 0.000 0.223 39 L C 0.465 177.263 176.870 -0.120 0.000 1.113 39 L CA -0.118 54.619 54.840 -0.171 0.000 0.861 39 L CB -0.330 41.620 42.059 -0.182 0.000 1.012 39 L HN -0.007 nan 8.230 nan 0.000 0.461 40 V N 0.675 120.532 119.914 -0.095 0.000 6.078 40 V HA -0.305 3.815 4.120 -0.001 0.000 0.301 40 V C 0.039 176.097 176.094 -0.060 0.000 0.571 40 V CA 1.170 63.439 62.300 -0.051 0.000 0.625 40 V CB -2.088 29.719 31.823 -0.027 0.000 0.271 40 V HN 0.505 nan 8.190 nan 0.000 0.788 41 K N 0.107 120.449 120.400 -0.097 0.000 2.197 41 K HA 0.863 5.183 4.320 -0.001 0.000 0.247 41 K C -0.863 175.690 176.600 -0.078 0.000 1.077 41 K CA -0.735 55.489 56.287 -0.105 0.000 0.882 41 K CB 1.671 34.066 32.500 -0.174 0.000 1.396 41 K HN 0.268 nan 8.250 nan 0.000 0.482 42 D N -0.747 119.606 120.400 -0.078 0.000 2.579 42 D HA 0.228 4.868 4.640 -0.001 0.000 0.257 42 D C 0.047 176.340 176.300 -0.011 0.000 1.176 42 D CA -0.533 53.479 54.000 0.021 0.000 0.914 42 D CB 1.594 42.428 40.800 0.058 0.000 1.431 42 D HN 0.461 nan 8.370 nan 0.000 0.454 43 R N 0.955 121.512 120.500 0.095 0.000 2.081 43 R HA -0.111 4.228 4.340 -0.001 0.000 0.235 43 R C 0.487 176.842 176.300 0.092 0.000 1.131 43 R CA 1.324 57.511 56.100 0.145 0.000 0.960 43 R CB -0.230 30.163 30.300 0.156 0.000 0.856 43 R HN 0.305 nan 8.270 nan 0.000 0.436 44 N N 0.921 119.658 118.700 0.062 0.000 2.443 44 N HA -0.103 4.637 4.740 -0.001 0.000 0.184 44 N C 1.415 176.935 175.510 0.018 0.000 1.037 44 N CA 1.652 54.726 53.050 0.039 0.000 0.896 44 N CB 0.236 38.742 38.487 0.031 0.000 0.959 44 N HN 0.449 nan 8.380 nan 0.000 0.442 45 V N -4.409 115.499 119.914 -0.010 0.000 3.372 45 V HA 0.546 4.666 4.120 -0.001 0.000 0.304 45 V C 0.476 176.520 176.094 -0.083 0.000 1.530 45 V CA -0.579 61.703 62.300 -0.030 0.000 1.080 45 V CB -0.163 31.643 31.823 -0.028 0.000 0.929 45 V HN 0.042 nan 8.190 nan 0.000 0.455 46 A N 2.011 124.743 122.820 -0.146 0.000 2.425 46 A HA 0.674 4.993 4.320 -0.001 0.000 0.249 46 A C 0.696 178.133 177.584 -0.246 0.000 1.084 46 A CA 0.757 52.581 52.037 -0.355 0.000 0.781 46 A CB 0.109 18.611 19.000 -0.829 0.000 1.019 46 A HN 0.858 nan 8.150 nan 0.000 0.490 47 T N 0.369 114.780 114.554 -0.238 0.000 2.948 47 T HA 0.565 4.914 4.350 -0.001 0.000 0.285 47 T C -2.080 172.612 174.700 -0.014 0.000 1.019 47 T CA -1.767 60.291 62.100 -0.070 0.000 1.013 47 T CB 1.160 69.988 68.868 -0.066 0.000 1.117 47 T HN 0.242 nan 8.240 nan 0.000 0.533 48 P HA -0.201 nan 4.420 nan 0.000 0.219 48 P C 1.686 179.039 177.300 0.089 0.000 1.161 48 P CA 1.393 64.602 63.100 0.182 0.000 0.909 48 P CB 0.047 31.803 31.700 0.094 0.000 0.793 49 R N -0.676 119.799 120.500 -0.041 0.000 2.127 49 R HA -0.163 4.177 4.340 -0.001 0.000 0.238 49 R C 1.684 177.916 176.300 -0.114 0.000 1.134 49 R CA 1.727 57.744 56.100 -0.139 0.000 0.975 49 R CB -0.501 29.656 30.300 -0.238 0.000 0.865 49 R HN 0.221 nan 8.270 nan 0.000 0.447 50 D N -0.790 119.552 120.400 -0.097 0.000 2.123 50 D HA -0.151 4.489 4.640 -0.001 0.000 0.200 50 D C 1.528 177.764 176.300 -0.107 0.000 0.976 50 D CA 1.209 55.140 54.000 -0.115 0.000 0.831 50 D CB -0.278 40.337 40.800 -0.307 0.000 0.974 50 D HN 0.278 nan 8.370 nan 0.000 0.469 51 Y N -0.115 120.229 120.300 0.074 0.000 2.497 51 Y HA -0.162 4.387 4.550 -0.001 0.000 0.292 51 Y C 2.140 178.156 175.900 0.194 0.000 1.137 51 Y CA 0.319 58.548 58.100 0.216 0.000 1.285 51 Y CB -0.590 38.034 38.460 0.273 0.000 0.991 51 Y HN 0.099 nan 8.280 nan 0.000 0.556 52 Y N -1.089 119.280 120.300 0.115 0.000 2.243 52 Y HA -0.118 4.432 4.550 -0.001 0.000 0.293 52 Y C 1.690 177.559 175.900 -0.050 0.000 1.124 52 Y CA 0.794 58.894 58.100 0.001 0.000 1.159 52 Y CB -0.938 37.419 38.460 -0.171 0.000 1.008 52 Y HN -0.014 nan 8.280 nan 0.000 0.527 53 F N 0.659 120.252 119.950 -0.595 0.000 2.234 53 F HA -0.028 4.498 4.527 -0.001 0.000 0.299 53 F C 2.623 178.178 175.800 -0.407 0.000 1.087 53 F CA 1.060 58.675 58.000 -0.642 0.000 1.340 53 F CB -1.223 37.589 39.000 -0.312 0.000 1.031 53 F HN 0.206 nan 8.300 nan 0.000 0.500 54 A N -0.417 122.273 122.820 -0.215 0.000 1.969 54 A HA -0.103 4.217 4.320 -0.001 0.000 0.218 54 A C 2.106 179.415 177.584 -0.457 0.000 1.169 54 A CA 1.296 53.032 52.037 -0.500 0.000 0.635 54 A CB -0.890 17.448 19.000 -1.104 0.000 0.810 54 A HN 0.335 nan 8.150 nan 0.000 0.445 55 L N -0.547 120.614 121.223 -0.103 0.000 2.131 55 L HA 0.142 4.482 4.340 -0.001 0.000 0.206 55 L C 2.502 179.376 176.870 0.006 0.000 1.087 55 L CA 1.921 56.882 54.840 0.202 0.000 0.767 55 L CB -0.715 41.578 42.059 0.391 0.000 0.917 55 L HN 0.279 nan 8.230 nan 0.000 0.441 56 A N -1.442 121.231 122.820 -0.244 0.000 1.930 56 A HA -0.209 4.110 4.320 -0.001 0.000 0.217 56 A C 2.193 179.432 177.584 -0.575 0.000 1.175 56 A CA 1.528 53.310 52.037 -0.425 0.000 0.627 56 A CB -0.906 17.572 19.000 -0.871 0.000 0.815 56 A HN 0.640 nan 8.150 nan 0.000 0.443 57 H N -0.475 118.272 119.070 -0.539 0.000 2.428 57 H HA -0.048 4.507 4.556 -0.001 0.000 0.296 57 H C 2.156 177.101 175.328 -0.639 0.000 1.062 57 H CA 1.778 57.395 56.048 -0.719 0.000 1.350 57 H CB -0.254 28.909 29.762 -0.999 0.000 1.403 57 H HN 0.466 nan 8.280 nan 0.000 0.533 58 T N 0.389 114.826 114.554 -0.194 0.000 2.777 58 T HA -0.068 4.281 4.350 -0.001 0.000 0.266 58 T C 2.375 177.217 174.700 0.237 0.000 1.040 58 T CA 1.108 63.308 62.100 0.166 0.000 1.141 58 T CB -0.277 68.767 68.868 0.294 0.000 0.868 58 T HN 0.085 nan 8.240 nan 0.000 0.444 59 V N 1.410 121.446 119.914 0.204 0.000 2.453 59 V HA -0.053 4.067 4.120 -0.001 0.000 0.247 59 V C 2.540 178.812 176.094 0.296 0.000 1.048 59 V CA 1.318 63.795 62.300 0.295 0.000 1.049 59 V CB -0.599 31.402 31.823 0.297 0.000 0.672 59 V HN 0.337 nan 8.190 nan 0.000 0.457 60 R N 0.203 120.810 120.500 0.178 0.000 2.152 60 R HA -0.171 4.168 4.340 -0.001 0.000 0.232 60 R C 1.821 178.191 176.300 0.117 0.000 1.117 60 R CA 1.557 57.758 56.100 0.168 0.000 0.981 60 R CB -0.235 30.021 30.300 -0.073 0.000 0.870 60 R HN 0.510 nan 8.270 nan 0.000 0.451 61 D N -0.399 120.048 120.400 0.078 0.000 2.144 61 D HA -0.154 4.485 4.640 -0.001 0.000 0.200 61 D C 1.728 178.008 176.300 -0.033 0.000 0.978 61 D CA 1.095 55.100 54.000 0.008 0.000 0.833 61 D CB -0.297 40.478 40.800 -0.043 0.000 0.961 61 D HN 0.417 nan 8.370 nan 0.000 0.470 62 H N -0.166 118.971 119.070 0.111 0.000 2.395 62 H HA -0.023 4.532 4.556 -0.001 0.000 0.299 62 H C 2.149 177.537 175.328 0.099 0.000 1.070 62 H CA 0.437 56.543 56.048 0.096 0.000 1.356 62 H CB -0.045 29.768 29.762 0.086 0.000 1.401 62 H HN 0.096 nan 8.280 nan 0.000 0.524 63 L N 0.657 122.015 121.223 0.225 0.000 2.056 63 L HA -0.105 4.235 4.340 -0.001 0.000 0.207 63 L C 2.372 179.348 176.870 0.177 0.000 1.078 63 L CA 1.072 56.020 54.840 0.180 0.000 0.749 63 L CB -0.579 41.590 42.059 0.185 0.000 0.901 63 L HN -0.057 nan 8.230 nan 0.000 0.433 64 V N -0.278 119.725 119.914 0.149 0.000 2.427 64 V HA -0.134 3.986 4.120 -0.001 0.000 0.248 64 V C 2.581 178.815 176.094 0.234 0.000 1.051 64 V CA 1.488 63.894 62.300 0.176 0.000 1.048 64 V CB -1.500 30.379 31.823 0.094 0.000 0.666 64 V HN 0.598 nan 8.190 nan 0.000 0.456 65 G N 0.267 109.157 108.800 0.149 0.000 2.446 65 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.217 65 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.217 65 G C 1.747 176.722 174.900 0.124 0.000 1.168 65 G CA 0.715 45.886 45.100 0.119 0.000 0.771 65 G HN 0.442 nan 8.290 nan 0.000 0.551 66 R N -1.193 119.384 120.500 0.128 0.000 2.092 66 R HA -0.088 4.251 4.340 -0.001 0.000 0.231 66 R C 2.281 178.646 176.300 0.108 0.000 1.119 66 R CA 1.197 57.350 56.100 0.089 0.000 0.970 66 R CB -0.437 29.914 30.300 0.084 0.000 0.864 66 R HN 0.543 nan 8.270 nan 0.000 0.440 67 W N 1.752 123.053 121.300 0.002 0.000 2.338 67 W HA -0.147 4.513 4.660 -0.001 0.000 0.304 67 W C 1.692 178.212 176.519 0.001 0.000 1.212 67 W CA 1.349 58.692 57.345 -0.003 0.000 1.264 67 W CB -0.229 29.245 29.460 0.023 0.000 1.142 67 W HN -0.073 nan 8.180 nan 0.000 0.512 68 I N 0.472 121.120 120.570 0.130 0.000 2.113 68 I HA -0.331 3.839 4.170 -0.001 0.000 0.238 68 I C 2.576 178.610 176.117 -0.138 0.000 1.070 68 I CA 1.696 62.968 61.300 -0.047 0.000 1.332 68 I CB -0.651 37.430 38.000 0.136 0.000 1.044 68 I HN -0.120 nan 8.210 nan 0.000 0.402 69 R N -0.133 120.332 120.500 -0.059 0.000 2.241 69 R HA -0.105 4.234 4.340 -0.001 0.000 0.224 69 R C 2.121 178.333 176.300 -0.147 0.000 1.101 69 R CA 1.480 57.544 56.100 -0.060 0.000 0.995 69 R CB -0.412 29.868 30.300 -0.032 0.000 0.870 69 R HN 0.418 nan 8.270 nan 0.000 0.463 70 T N 0.515 114.899 114.554 -0.283 0.000 2.852 70 T HA -0.055 4.294 4.350 -0.001 0.000 0.256 70 T C 1.681 175.978 174.700 -0.673 0.000 1.038 70 T CA 0.701 62.503 62.100 -0.496 0.000 1.141 70 T CB 0.058 68.621 68.868 -0.507 0.000 0.869 70 T HN 0.110 nan 8.240 nan 0.000 0.439 71 Q N 1.322 120.763 119.800 -0.597 0.000 2.172 71 Q HA 0.028 4.367 4.340 -0.001 0.000 0.200 71 Q C 2.291 178.279 176.000 -0.020 0.000 0.964 71 Q CA 1.129 56.699 55.803 -0.389 0.000 0.855 71 Q CB -0.379 28.011 28.738 -0.580 0.000 0.918 71 Q HN 0.614 nan 8.270 nan 0.000 0.444 72 Q N -0.384 119.418 119.800 0.003 0.000 2.050 72 Q HA -0.176 4.163 4.340 -0.001 0.000 0.202 72 Q C 2.129 178.293 176.000 0.273 0.000 0.980 72 Q CA 1.172 57.147 55.803 0.287 0.000 0.840 72 Q CB -0.263 28.649 28.738 0.290 0.000 0.898 72 Q HN 0.552 nan 8.270 nan 0.000 0.424 73 H N -0.416 118.633 119.070 -0.035 0.000 2.353 73 H HA -0.193 4.363 4.556 -0.001 0.000 0.298 73 H C 1.505 176.862 175.328 0.048 0.000 1.103 73 H CA 1.688 57.689 56.048 -0.078 0.000 1.293 73 H CB 0.152 29.789 29.762 -0.209 0.000 1.372 73 H HN 0.294 nan 8.280 nan 0.000 0.501 74 Y N -0.428 119.828 120.300 -0.072 0.000 2.242 74 Y HA -0.160 4.389 4.550 -0.001 0.000 0.291 74 Y C 2.486 178.306 175.900 -0.134 0.000 1.137 74 Y CA 0.582 58.584 58.100 -0.163 0.000 1.181 74 Y CB -1.229 37.146 38.460 -0.142 0.000 0.989 74 Y HN 0.237 nan 8.280 nan 0.000 0.527 75 Y N 0.238 120.646 120.300 0.180 0.000 2.293 75 Y HA -0.168 4.381 4.550 -0.001 0.000 0.291 75 Y C 2.567 178.598 175.900 0.219 0.000 1.137 75 Y CA 1.576 59.797 58.100 0.202 0.000 1.202 75 Y CB -0.078 38.512 38.460 0.217 0.000 0.990 75 Y HN 0.122 nan 8.280 nan 0.000 0.537 76 E N 0.522 120.890 120.200 0.280 0.000 2.072 76 E HA -0.162 4.188 4.350 -0.001 0.000 0.190 76 E C 1.456 177.977 176.600 -0.132 0.000 0.982 76 E CA 1.017 57.360 56.400 -0.095 0.000 0.803 76 E CB 0.138 29.547 29.700 -0.485 0.000 0.755 76 E HN 0.174 nan 8.360 nan 0.000 0.453 77 K N 1.153 121.429 120.400 -0.207 0.000 2.426 77 K HA -0.022 4.297 4.320 -0.001 0.000 0.193 77 K C -0.335 176.215 176.600 -0.083 0.000 1.028 77 K CA 0.482 56.669 56.287 -0.167 0.000 1.047 77 K CB -0.254 32.096 32.500 -0.250 0.000 0.821 77 K HN 0.086 nan 8.250 nan 0.000 0.513 78 D N 0.873 121.242 120.400 -0.051 0.000 2.894 78 D HA -0.150 4.490 4.640 -0.001 0.000 0.216 78 D C -2.303 173.957 176.300 -0.067 0.000 1.245 78 D CA 0.162 54.129 54.000 -0.055 0.000 0.728 78 D CB 0.063 40.845 40.800 -0.030 0.000 0.924 78 D HN 0.181 nan 8.370 nan 0.000 0.395 79 P HA 0.169 nan 4.420 nan 0.000 0.284 79 P C -0.549 176.682 177.300 -0.116 0.000 1.292 79 P CA -0.797 62.242 63.100 -0.102 0.000 0.800 79 P CB 0.696 32.318 31.700 -0.131 0.000 1.188 80 K N 1.170 121.507 120.400 -0.105 0.000 2.349 80 K HA 0.144 4.464 4.320 -0.001 0.000 0.289 80 K C 0.034 176.525 176.600 -0.181 0.000 1.064 80 K CA -0.224 55.998 56.287 -0.110 0.000 0.947 80 K CB 0.195 32.652 32.500 -0.071 0.000 1.007 80 K HN 0.283 nan 8.250 nan 0.000 0.478 81 R N 4.098 124.488 120.500 -0.183 0.000 2.357 81 R HA 0.336 4.675 4.340 -0.001 0.000 0.296 81 R C -0.375 175.702 176.300 -0.372 0.000 1.052 81 R CA -0.403 55.539 56.100 -0.264 0.000 0.988 81 R CB 0.829 31.061 30.300 -0.114 0.000 1.025 81 R HN 0.569 nan 8.270 nan 0.000 0.469 82 I N 3.478 123.729 120.570 -0.532 0.000 2.389 82 I HA 0.222 4.391 4.170 -0.001 0.000 0.288 82 I C -1.025 174.754 176.117 -0.562 0.000 0.999 82 I CA -0.602 60.338 61.300 -0.599 0.000 1.129 82 I CB 1.156 38.692 38.000 -0.774 0.000 1.288 82 I HN 0.478 nan 8.210 nan 0.000 0.444 83 Y N 5.980 126.218 120.300 -0.104 0.000 2.356 83 Y HA 0.250 4.800 4.550 -0.001 0.000 0.334 83 Y C -0.460 175.521 175.900 0.134 0.000 0.958 83 Y CA -0.646 57.512 58.100 0.097 0.000 1.196 83 Y CB 0.822 39.282 38.460 0.000 0.000 1.137 83 Y HN 0.415 nan 8.280 nan 0.000 0.485 84 Y N 4.794 125.239 120.300 0.242 0.000 2.650 84 Y HA 0.370 4.920 4.550 -0.001 0.000 0.343 84 Y C -0.915 175.241 175.900 0.426 0.000 1.078 84 Y CA -0.912 57.356 58.100 0.280 0.000 1.356 84 Y CB -0.033 38.594 38.460 0.279 0.000 1.204 84 Y HN 0.505 nan 8.280 nan 0.000 0.508 85 L N 4.717 126.041 121.223 0.168 0.000 2.369 85 L HA 0.280 4.619 4.340 -0.001 0.000 0.279 85 L C 0.094 177.000 176.870 0.060 0.000 1.108 85 L CA 0.452 55.419 54.840 0.211 0.000 0.852 85 L CB 0.671 42.811 42.059 0.135 0.000 1.169 85 L HN 0.579 nan 8.230 nan 0.000 0.452 86 S N 2.626 118.440 115.700 0.191 0.000 2.556 86 S HA 0.527 4.996 4.470 -0.001 0.000 0.271 86 S C 0.285 174.995 174.600 0.182 0.000 1.135 86 S CA -0.581 57.626 58.200 0.012 0.000 0.858 86 S CB 1.067 64.052 63.200 -0.360 0.000 1.114 86 S HN 0.451 nan 8.310 nan 0.000 0.468 87 L N 2.298 123.628 121.223 0.179 0.000 2.529 87 L HA 0.415 4.755 4.340 -0.001 0.000 0.223 87 L C 0.430 177.481 176.870 0.301 0.000 1.113 87 L CA 0.678 55.684 54.840 0.275 0.000 0.861 87 L CB -0.045 42.177 42.059 0.272 0.000 1.012 87 L HN 0.828 nan 8.230 nan 0.000 0.461 88 E N -1.775 118.505 120.200 0.133 0.000 2.290 88 E HA 0.367 4.716 4.350 -0.001 0.000 0.274 88 E C -1.311 175.236 176.600 -0.088 0.000 0.889 88 E CA -0.599 55.895 56.400 0.157 0.000 0.760 88 E CB 1.178 30.944 29.700 0.110 0.000 1.206 88 E HN -0.146 nan 8.360 nan 0.000 0.419 89 F N 2.734 122.797 119.950 0.188 0.000 2.430 89 F HA 0.240 4.766 4.527 -0.001 0.000 0.362 89 F C -0.951 174.952 175.800 0.173 0.000 1.103 89 F CA -0.912 57.187 58.000 0.165 0.000 1.045 89 F CB 1.181 40.262 39.000 0.135 0.000 1.276 89 F HN 0.567 nan 8.300 nan 0.000 0.444 90 Y N 5.231 125.589 120.300 0.096 0.000 2.724 90 Y HA 0.199 4.748 4.550 -0.001 0.000 0.332 90 Y C 1.011 176.933 175.900 0.036 0.000 1.276 90 Y CA -0.816 57.302 58.100 0.030 0.000 1.597 90 Y CB 0.261 38.722 38.460 0.002 0.000 1.584 90 Y HN 0.529 nan 8.280 nan 0.000 0.478 91 M N 0.903 120.544 119.600 0.067 0.000 2.419 91 M HA 0.099 4.579 4.480 -0.001 0.000 0.264 91 M C 1.856 178.083 176.300 -0.122 0.000 1.082 91 M CA 1.065 56.362 55.300 -0.004 0.000 1.119 91 M CB -1.140 31.455 32.600 -0.008 0.000 1.398 91 M HN 0.748 nan 8.290 nan 0.000 0.453 92 G N 1.394 110.068 108.800 -0.209 0.000 3.031 92 G HA2 -0.260 3.699 3.960 -0.001 0.000 0.289 92 G HA3 -0.260 3.699 3.960 -0.001 0.000 0.289 92 G C 0.225 175.019 174.900 -0.177 0.000 1.393 92 G CA -0.075 44.878 45.100 -0.244 0.000 1.010 92 G HN 0.413 nan 8.290 nan 0.000 0.579 93 R N -0.066 120.331 120.500 -0.172 0.000 2.508 93 R HA 0.489 4.828 4.340 -0.001 0.000 0.283 93 R C 0.496 176.667 176.300 -0.215 0.000 1.120 93 R CA 0.140 56.160 56.100 -0.134 0.000 0.958 93 R CB 1.485 31.725 30.300 -0.099 0.000 1.215 93 R HN 0.434 nan 8.270 nan 0.000 0.427 94 T N 1.623 115.972 114.554 -0.342 0.000 2.995 94 T HA -0.096 4.253 4.350 -0.001 0.000 0.269 94 T C 1.661 176.006 174.700 -0.591 0.000 1.091 94 T CA 0.689 62.374 62.100 -0.693 0.000 1.128 94 T CB 0.083 68.018 68.868 -1.555 0.000 0.891 94 T HN 0.275 nan 8.240 nan 0.000 0.492 95 L N 1.340 122.455 121.223 -0.179 0.000 1.973 95 L HA 0.026 4.366 4.340 -0.001 0.000 0.208 95 L C 2.576 179.440 176.870 -0.010 0.000 1.073 95 L CA 1.829 56.703 54.840 0.056 0.000 0.746 95 L CB -0.822 41.463 42.059 0.376 0.000 0.891 95 L HN 0.148 nan 8.230 nan 0.000 0.433 96 Q N -0.972 118.817 119.800 -0.020 0.000 2.167 96 Q HA -0.237 4.103 4.340 -0.001 0.000 0.202 96 Q C 1.981 177.938 176.000 -0.072 0.000 0.970 96 Q CA 1.528 57.313 55.803 -0.029 0.000 0.855 96 Q CB -0.157 28.557 28.738 -0.039 0.000 0.911 96 Q HN 0.584 nan 8.270 nan 0.000 0.438 97 N N -0.409 118.213 118.700 -0.129 0.000 2.149 97 N HA -0.123 4.617 4.740 -0.001 0.000 0.188 97 N C 1.396 176.839 175.510 -0.112 0.000 1.019 97 N CA 2.000 54.970 53.050 -0.134 0.000 0.857 97 N CB -0.268 38.107 38.487 -0.186 0.000 0.997 97 N HN 0.161 nan 8.380 nan 0.000 0.426 98 T N 0.411 114.870 114.554 -0.158 0.000 2.770 98 T HA 0.009 4.359 4.350 -0.001 0.000 0.263 98 T C 1.974 176.649 174.700 -0.041 0.000 1.039 98 T CA 1.031 63.060 62.100 -0.118 0.000 1.142 98 T CB -0.108 68.638 68.868 -0.204 0.000 0.868 98 T HN 0.215 nan 8.240 nan 0.000 0.435 99 M N 0.607 120.199 119.600 -0.013 0.000 2.065 99 M HA -0.131 4.348 4.480 -0.001 0.000 0.259 99 M C 2.457 178.743 176.300 -0.023 0.000 1.069 99 M CA 1.461 56.763 55.300 0.002 0.000 1.110 99 M CB -0.750 31.866 32.600 0.026 0.000 1.328 99 M HN 0.095 nan 8.290 nan 0.000 0.405 100 V N 0.979 120.884 119.914 -0.016 0.000 2.231 100 V HA -0.315 3.805 4.120 -0.001 0.000 0.248 100 V C 1.827 177.905 176.094 -0.028 0.000 1.054 100 V CA 2.283 64.588 62.300 0.008 0.000 1.015 100 V CB -0.973 30.872 31.823 0.037 0.000 0.638 100 V HN 0.480 nan 8.190 nan 0.000 0.444 101 N N -0.416 118.274 118.700 -0.017 0.000 2.348 101 N HA -0.111 4.629 4.740 -0.001 0.000 0.185 101 N C 1.097 176.499 175.510 -0.180 0.000 1.019 101 N CA 0.944 53.950 53.050 -0.074 0.000 0.880 101 N CB -0.206 38.282 38.487 0.001 0.000 0.965 101 N HN 0.314 nan 8.380 nan 0.000 0.437 102 L N -0.825 120.327 121.223 -0.119 0.000 2.640 102 L HA 0.396 4.736 4.340 -0.001 0.000 0.230 102 L C 0.864 177.657 176.870 -0.128 0.000 1.123 102 L CA 0.054 54.831 54.840 -0.105 0.000 0.900 102 L CB -0.329 41.707 42.059 -0.038 0.000 1.146 102 L HN 0.122 nan 8.230 nan 0.000 0.484 103 A N -0.916 121.817 122.820 -0.144 0.000 2.899 103 A HA -0.247 4.073 4.320 -0.001 0.000 0.257 103 A C 1.531 179.062 177.584 -0.089 0.000 1.335 103 A CA 1.291 53.256 52.037 -0.120 0.000 0.924 103 A CB -2.106 16.814 19.000 -0.133 0.000 1.105 103 A HN 0.303 nan 8.150 nan 0.000 0.765 104 L N -1.057 120.116 121.223 -0.083 0.000 2.418 104 L HA -0.060 4.279 4.340 -0.001 0.000 0.218 104 L C 2.198 179.046 176.870 -0.038 0.000 1.125 104 L CA 1.292 56.083 54.840 -0.082 0.000 0.835 104 L CB -0.299 41.705 42.059 -0.092 0.000 0.953 104 L HN 0.734 nan 8.230 nan 0.000 0.454 105 E N 1.087 121.272 120.200 -0.024 0.000 2.108 105 E HA -0.297 4.053 4.350 -0.001 0.000 0.203 105 E C 1.763 178.358 176.600 -0.008 0.000 1.022 105 E CA 2.011 58.408 56.400 -0.006 0.000 0.823 105 E CB 0.022 29.719 29.700 -0.005 0.000 0.744 105 E HN 0.560 nan 8.360 nan 0.000 0.456 106 N N -0.614 118.075 118.700 -0.018 0.000 2.106 106 N HA -0.146 4.593 4.740 -0.001 0.000 0.188 106 N C 1.907 177.407 175.510 -0.016 0.000 1.029 106 N CA 0.770 53.808 53.050 -0.020 0.000 0.848 106 N CB -0.157 38.317 38.487 -0.022 0.000 1.007 106 N HN 0.178 nan 8.380 nan 0.000 0.423 107 A N 0.774 123.584 122.820 -0.016 0.000 1.933 107 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 107 A C 2.399 179.989 177.584 0.010 0.000 1.175 107 A CA 1.017 53.050 52.037 -0.008 0.000 0.628 107 A CB -0.835 18.153 19.000 -0.019 0.000 0.814 107 A HN 0.465 nan 8.150 nan 0.000 0.444 108 C N -0.475 118.836 119.300 0.018 0.000 2.437 108 C HA -0.055 4.405 4.460 -0.001 0.000 0.283 108 C C 2.313 177.326 174.990 0.039 0.000 1.424 108 C CA 0.883 59.930 59.018 0.048 0.000 1.782 108 C CB -1.116 26.667 27.740 0.072 0.000 1.833 108 C HN 0.664 nan 8.230 nan 0.000 0.532 109 D N 0.499 120.909 120.400 0.016 0.000 2.149 109 D HA -0.106 4.533 4.640 -0.001 0.000 0.206 109 D C 2.130 178.435 176.300 0.008 0.000 0.967 109 D CA 1.025 55.025 54.000 0.001 0.000 0.848 109 D CB -0.029 40.745 40.800 -0.043 0.000 0.998 109 D HN 0.342 nan 8.370 nan 0.000 0.474 110 E N 1.107 121.307 120.200 -0.000 0.000 2.051 110 E HA -0.109 4.241 4.350 -0.001 0.000 0.192 110 E C 1.875 178.509 176.600 0.056 0.000 0.991 110 E CA 1.564 57.978 56.400 0.024 0.000 0.799 110 E CB -0.495 29.210 29.700 0.007 0.000 0.748 110 E HN 0.252 nan 8.360 nan 0.000 0.449 111 A N -0.342 122.495 122.820 0.027 0.000 1.865 111 A HA -0.230 4.089 4.320 -0.001 0.000 0.217 111 A C 2.505 180.061 177.584 -0.047 0.000 1.191 111 A CA 2.538 54.576 52.037 0.002 0.000 0.623 111 A CB -1.318 17.690 19.000 0.014 0.000 0.826 111 A HN 0.388 nan 8.150 nan 0.000 0.444 112 T N -1.582 112.948 114.554 -0.041 0.000 2.803 112 T HA -0.169 4.181 4.350 -0.001 0.000 0.269 112 T C 1.763 176.456 174.700 -0.011 0.000 1.052 112 T CA 1.746 63.790 62.100 -0.094 0.000 1.136 112 T CB -0.387 68.474 68.868 -0.012 0.000 0.864 112 T HN 0.480 nan 8.240 nan 0.000 0.467 113 Y N 1.768 122.005 120.300 -0.105 0.000 2.163 113 Y HA -0.041 4.509 4.550 -0.001 0.000 0.288 113 Y C 2.606 178.451 175.900 -0.092 0.000 1.136 113 Y CA 0.783 58.831 58.100 -0.087 0.000 1.147 113 Y CB -0.476 37.951 38.460 -0.055 0.000 0.987 113 Y HN 0.272 nan 8.280 nan 0.000 0.509 114 Q N -0.489 119.327 119.800 0.028 0.000 2.437 114 Q HA -0.095 4.244 4.340 -0.001 0.000 0.210 114 Q C 1.290 177.224 176.000 -0.109 0.000 0.972 114 Q CA 0.839 56.620 55.803 -0.037 0.000 0.903 114 Q CB -0.103 28.631 28.738 -0.006 0.000 0.967 114 Q HN 0.458 nan 8.270 nan 0.000 0.486 115 L N -0.692 120.428 121.223 -0.172 0.000 2.700 115 L HA 0.245 4.585 4.340 -0.001 0.000 0.234 115 L C 0.789 177.489 176.870 -0.283 0.000 1.156 115 L CA -0.125 54.575 54.840 -0.233 0.000 0.946 115 L CB 0.208 42.052 42.059 -0.358 0.000 1.216 115 L HN 0.224 nan 8.230 nan 0.000 0.493 116 G N 1.218 109.836 108.800 -0.303 0.000 2.323 116 G HA2 -0.266 3.693 3.960 -0.001 0.000 0.292 116 G HA3 -0.266 3.693 3.960 -0.001 0.000 0.292 116 G C -0.088 174.598 174.900 -0.357 0.000 1.040 116 G CA 0.306 45.186 45.100 -0.365 0.000 0.942 116 G HN 0.283 nan 8.290 nan 0.000 0.506 117 L N -1.289 119.737 121.223 -0.328 0.000 2.286 117 L HA 0.704 5.044 4.340 -0.001 0.000 0.265 117 L C -0.288 176.532 176.870 -0.083 0.000 1.012 117 L CA -1.078 53.609 54.840 -0.254 0.000 0.818 117 L CB 1.988 43.859 42.059 -0.314 0.000 1.337 117 L HN 0.151 nan 8.230 nan 0.000 0.438 118 D N 0.367 120.761 120.400 -0.009 0.000 2.461 118 D HA 0.249 4.889 4.640 -0.001 0.000 0.240 118 D C 0.713 177.066 176.300 0.088 0.000 1.094 118 D CA -0.340 53.717 54.000 0.096 0.000 0.868 118 D CB 1.288 42.134 40.800 0.077 0.000 1.062 118 D HN 0.464 nan 8.370 nan 0.000 0.530 119 M N 2.306 121.968 119.600 0.105 0.000 2.267 119 M HA -0.130 4.350 4.480 -0.001 0.000 0.263 119 M C 1.479 177.826 176.300 0.078 0.000 1.063 119 M CA 1.548 56.903 55.300 0.093 0.000 1.090 119 M CB 0.192 32.839 32.600 0.079 0.000 1.392 119 M HN 0.497 nan 8.290 nan 0.000 0.422 120 E N -0.409 119.828 120.200 0.062 0.000 2.216 120 E HA -0.205 4.145 4.350 -0.001 0.000 0.192 120 E C 1.770 178.398 176.600 0.045 0.000 0.988 120 E CA 0.808 57.237 56.400 0.047 0.000 0.834 120 E CB 0.084 29.808 29.700 0.040 0.000 0.772 120 E HN 0.606 nan 8.360 nan 0.000 0.479 121 E N 0.131 120.362 120.200 0.051 0.000 2.072 121 E HA -0.174 4.175 4.350 -0.001 0.000 0.190 121 E C 1.861 178.482 176.600 0.034 0.000 0.982 121 E CA 0.486 56.910 56.400 0.040 0.000 0.803 121 E CB 0.208 29.933 29.700 0.043 0.000 0.755 121 E HN 0.133 nan 8.360 nan 0.000 0.453 122 L N 1.617 122.883 121.223 0.070 0.000 2.027 122 L HA -0.130 4.209 4.340 -0.001 0.000 0.206 122 L C 2.155 179.041 176.870 0.028 0.000 1.074 122 L CA 1.676 56.580 54.840 0.107 0.000 0.745 122 L CB -1.139 41.048 42.059 0.213 0.000 0.898 122 L HN 0.172 nan 8.230 nan 0.000 0.433 123 E N -0.462 119.765 120.200 0.044 0.000 2.118 123 E HA -0.212 4.138 4.350 -0.001 0.000 0.195 123 E C 1.677 178.220 176.600 -0.096 0.000 0.992 123 E CA 0.910 57.307 56.400 -0.005 0.000 0.804 123 E CB -0.026 29.690 29.700 0.027 0.000 0.741 123 E HN 0.424 nan 8.360 nan 0.000 0.458 124 E N 0.140 120.303 120.200 -0.063 0.000 2.516 124 E HA -0.066 4.283 4.350 -0.001 0.000 0.199 124 E C 1.657 178.184 176.600 -0.122 0.000 1.069 124 E CA 0.389 56.752 56.400 -0.061 0.000 0.876 124 E CB 0.126 29.826 29.700 -0.001 0.000 0.843 124 E HN 0.412 nan 8.360 nan 0.000 0.530 125 I N 0.539 120.964 120.570 -0.242 0.000 3.030 125 I HA -0.065 4.104 4.170 -0.001 0.000 0.270 125 I C 1.332 177.160 176.117 -0.482 0.000 1.211 125 I CA 0.154 61.255 61.300 -0.330 0.000 1.479 125 I CB 0.224 38.010 38.000 -0.356 0.000 1.105 125 I HN -0.040 nan 8.210 nan 0.000 0.447 126 E N 2.558 122.374 120.200 -0.640 0.000 2.384 126 E HA 0.007 4.356 4.350 -0.001 0.000 0.266 126 E C -0.219 176.314 176.600 -0.111 0.000 1.012 126 E CA 0.016 56.128 56.400 -0.480 0.000 0.901 126 E CB 0.618 30.130 29.700 -0.312 0.000 0.967 126 E HN 0.216 nan 8.360 nan 0.000 0.435 127 E N 2.703 122.943 120.200 0.067 0.000 2.319 127 E HA 0.077 4.427 4.350 -0.001 0.000 0.268 127 E C -1.048 175.618 176.600 0.110 0.000 1.050 127 E CA -0.560 55.924 56.400 0.139 0.000 0.878 127 E CB 0.827 30.711 29.700 0.307 0.000 1.066 127 E HN 0.470 nan 8.360 nan 0.000 0.406 128 D N 1.204 121.613 120.400 0.015 0.000 2.371 128 D HA 0.137 4.776 4.640 -0.001 0.000 0.256 128 D C -0.579 175.591 176.300 -0.218 0.000 1.193 128 D CA 0.086 54.022 54.000 -0.108 0.000 0.881 128 D CB 0.738 41.430 40.800 -0.179 0.000 1.143 128 D HN 0.404 nan 8.370 nan 0.000 0.473 129 A N 3.194 125.838 122.820 -0.293 0.000 2.507 129 A HA 0.309 4.628 4.320 -0.001 0.000 0.281 129 A C 1.316 178.371 177.584 -0.882 0.000 1.154 129 A CA -0.055 51.529 52.037 -0.754 0.000 0.828 129 A CB -0.310 18.472 19.000 -0.363 0.000 1.069 129 A HN 0.642 nan 8.150 nan 0.000 0.522 130 G N 2.320 110.213 108.800 -1.511 0.000 3.090 130 G HA2 0.358 4.317 3.960 -0.001 0.000 0.259 130 G HA3 0.358 4.317 3.960 -0.001 0.000 0.259 130 G C 0.359 175.051 174.900 -0.346 0.000 0.797 130 G CA -0.108 44.509 45.100 -0.804 0.000 2.032 130 G HN 0.750 nan 8.290 nan 0.000 0.614 131 L N 0.408 121.564 121.223 -0.113 0.000 2.906 131 L HA 0.393 4.733 4.340 -0.001 0.000 0.255 131 L C 1.146 178.198 176.870 0.303 0.000 1.166 131 L CA -0.151 54.824 54.840 0.224 0.000 0.977 131 L CB 0.775 42.946 42.059 0.185 0.000 1.313 131 L HN 0.318 nan 8.230 nan 0.000 0.549 132 G N -0.807 108.148 108.800 0.259 0.000 2.638 132 G HA2 0.209 4.169 3.960 -0.001 0.000 0.302 132 G HA3 0.209 4.169 3.960 -0.001 0.000 0.302 132 G C -0.166 174.723 174.900 -0.017 0.000 1.365 132 G CA -0.339 44.868 45.100 0.178 0.000 0.987 132 G HN -0.108 nan 8.290 nan 0.000 0.495 133 N N 0.748 119.317 118.700 -0.218 0.000 2.250 133 N HA 0.274 5.013 4.740 -0.001 0.000 0.181 133 N C 1.250 176.425 175.510 -0.557 0.000 1.017 133 N CA 2.148 55.049 53.050 -0.248 0.000 0.866 133 N CB 0.236 38.640 38.487 -0.139 0.000 0.985 133 N HN 0.958 nan 8.380 nan 0.000 0.429 134 G N -2.005 106.190 108.800 -1.007 0.000 2.609 134 G HA2 0.207 4.167 3.960 -0.001 0.000 0.082 134 G HA3 0.207 4.167 3.960 -0.001 0.000 0.082 134 G C 0.814 175.321 174.900 -0.656 0.000 1.075 134 G CA 0.063 44.546 45.100 -1.028 0.000 1.172 134 G HN 0.305 nan 8.290 nan 0.000 0.532 135 G N 0.496 109.142 108.800 -0.257 0.000 2.764 135 G HA2 -0.243 3.717 3.960 -0.001 0.000 0.219 135 G HA3 -0.243 3.717 3.960 -0.001 0.000 0.219 135 G C 1.935 176.739 174.900 -0.159 0.000 1.259 135 G CA 1.855 46.876 45.100 -0.133 0.000 0.793 135 G HN 1.119 nan 8.290 nan 0.000 0.633 136 L N 0.888 121.995 121.223 -0.193 0.000 2.129 136 L HA -0.025 4.314 4.340 -0.001 0.000 0.212 136 L C 2.782 179.523 176.870 -0.215 0.000 1.087 136 L CA 2.006 56.694 54.840 -0.254 0.000 0.757 136 L CB -0.388 41.498 42.059 -0.289 0.000 0.896 136 L HN 0.324 nan 8.230 nan 0.000 0.434 137 G N -1.528 107.152 108.800 -0.200 0.000 2.494 137 G HA2 -0.154 3.806 3.960 -0.001 0.000 0.216 137 G HA3 -0.154 3.806 3.960 -0.001 0.000 0.216 137 G C 1.674 176.576 174.900 0.004 0.000 1.140 137 G CA -0.101 44.919 45.100 -0.135 0.000 0.801 137 G HN 0.117 nan 8.290 nan 0.000 0.536 138 R N -0.031 120.501 120.500 0.054 0.000 2.075 138 R HA 0.081 4.420 4.340 -0.001 0.000 0.232 138 R C 2.452 178.765 176.300 0.021 0.000 1.126 138 R CA 0.753 56.971 56.100 0.197 0.000 0.963 138 R CB -0.824 29.638 30.300 0.270 0.000 0.858 138 R HN 0.416 nan 8.270 nan 0.000 0.435 139 L N 0.806 121.954 121.223 -0.125 0.000 1.989 139 L HA -0.125 4.214 4.340 -0.001 0.000 0.211 139 L C 2.280 178.864 176.870 -0.478 0.000 1.071 139 L CA 2.322 56.946 54.840 -0.359 0.000 0.749 139 L CB -0.849 40.993 42.059 -0.362 0.000 0.890 139 L HN 0.180 nan 8.230 nan 0.000 0.431 140 A N -0.476 122.199 122.820 -0.242 0.000 1.927 140 A HA -0.269 4.050 4.320 -0.001 0.000 0.220 140 A C 2.422 180.021 177.584 0.026 0.000 1.185 140 A CA 2.406 54.374 52.037 -0.115 0.000 0.639 140 A CB -1.306 17.500 19.000 -0.324 0.000 0.820 140 A HN 0.634 nan 8.150 nan 0.000 0.451 141 A N -1.700 121.178 122.820 0.097 0.000 1.929 141 A HA -0.075 4.244 4.320 -0.001 0.000 0.216 141 A C 2.256 179.923 177.584 0.139 0.000 1.176 141 A CA 1.467 53.617 52.037 0.188 0.000 0.628 141 A CB -1.080 18.033 19.000 0.188 0.000 0.816 141 A HN 0.600 nan 8.150 nan 0.000 0.444 142 C N -1.289 118.077 119.300 0.110 0.000 2.435 142 C HA 0.001 4.461 4.460 -0.001 0.000 0.279 142 C C 2.310 177.478 174.990 0.296 0.000 1.321 142 C CA 0.403 59.538 59.018 0.195 0.000 1.752 142 C CB -1.509 26.362 27.740 0.218 0.000 1.959 142 C HN 0.619 nan 8.230 nan 0.000 0.500 143 F N 0.079 120.033 119.950 0.008 0.000 2.259 143 F HA 0.020 4.547 4.527 -0.001 0.000 0.298 143 F C 2.037 177.789 175.800 -0.080 0.000 1.088 143 F CA 0.686 58.637 58.000 -0.080 0.000 1.358 143 F CB -1.311 37.505 39.000 -0.307 0.000 1.040 143 F HN 0.099 nan 8.300 nan 0.000 0.505 144 L N 0.448 121.761 121.223 0.149 0.000 2.083 144 L HA -0.224 4.115 4.340 -0.001 0.000 0.209 144 L C 2.139 179.060 176.870 0.084 0.000 1.083 144 L CA 1.855 56.757 54.840 0.103 0.000 0.752 144 L CB -1.216 40.922 42.059 0.131 0.000 0.899 144 L HN 0.098 nan 8.230 nan 0.000 0.433 145 D N -1.727 118.734 120.400 0.102 0.000 2.117 145 D HA -0.156 4.483 4.640 -0.001 0.000 0.198 145 D C 2.144 178.499 176.300 0.091 0.000 0.982 145 D CA 1.403 55.454 54.000 0.085 0.000 0.828 145 D CB 0.195 41.045 40.800 0.083 0.000 0.967 145 D HN 0.178 nan 8.370 nan 0.000 0.464 146 S N -0.801 114.968 115.700 0.114 0.000 2.387 146 S HA -0.042 4.428 4.470 -0.001 0.000 0.226 146 S C 1.986 176.623 174.600 0.062 0.000 1.026 146 S CA 0.702 58.956 58.200 0.090 0.000 0.972 146 S CB -0.181 63.082 63.200 0.104 0.000 0.814 146 S HN 0.337 nan 8.310 nan 0.000 0.477 147 M N 1.234 120.865 119.600 0.052 0.000 2.108 147 M HA -0.126 4.353 4.480 -0.001 0.000 0.261 147 M C 2.517 178.839 176.300 0.037 0.000 1.066 147 M CA 1.587 56.912 55.300 0.041 0.000 1.107 147 M CB -0.680 31.927 32.600 0.012 0.000 1.356 147 M HN 0.383 nan 8.290 nan 0.000 0.406 148 A N 0.068 122.914 122.820 0.043 0.000 1.877 148 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 148 A C 2.203 179.825 177.584 0.062 0.000 1.186 148 A CA 2.219 54.289 52.037 0.055 0.000 0.620 148 A CB -1.181 17.853 19.000 0.056 0.000 0.822 148 A HN 0.472 nan 8.150 nan 0.000 0.443 149 T N -0.275 114.320 114.554 0.068 0.000 2.915 149 T HA -0.021 4.328 4.350 -0.001 0.000 0.269 149 T C 1.079 175.816 174.700 0.062 0.000 1.071 149 T CA 1.018 63.164 62.100 0.076 0.000 1.132 149 T CB -0.157 68.766 68.868 0.090 0.000 0.878 149 T HN 0.164 nan 8.240 nan 0.000 0.479 150 L N 0.532 121.788 121.223 0.055 0.000 2.653 150 L HA 0.402 4.741 4.340 -0.001 0.000 0.231 150 L C 1.741 178.641 176.870 0.049 0.000 1.153 150 L CA 0.250 55.119 54.840 0.048 0.000 0.933 150 L CB -0.777 41.309 42.059 0.046 0.000 1.175 150 L HN 0.388 nan 8.230 nan 0.000 0.473 151 G N -0.353 108.482 108.800 0.058 0.000 2.166 151 G HA2 -0.297 3.662 3.960 -0.001 0.000 0.260 151 G HA3 -0.297 3.662 3.960 -0.001 0.000 0.260 151 G C 0.460 175.398 174.900 0.063 0.000 0.986 151 G CA 0.322 45.470 45.100 0.080 0.000 0.683 151 G HN 0.312 nan 8.290 nan 0.000 0.527 152 L N 0.251 121.480 121.223 0.010 0.000 2.380 152 L HA 0.516 4.855 4.340 -0.001 0.000 0.273 152 L C 1.275 177.999 176.870 -0.243 0.000 1.138 152 L CA -0.047 54.742 54.840 -0.084 0.000 0.832 152 L CB 1.237 43.280 42.059 -0.027 0.000 1.124 152 L HN 0.250 nan 8.230 nan 0.000 0.454 153 A N 3.407 125.899 122.820 -0.547 0.000 2.990 153 A HA 0.557 4.876 4.320 -0.001 0.000 0.282 153 A C 0.373 177.567 177.584 -0.651 0.000 1.688 153 A CA -0.177 51.253 52.037 -1.011 0.000 1.391 153 A CB -0.560 17.622 19.000 -1.363 0.000 1.112 153 A HN 0.740 nan 8.150 nan 0.000 0.588 154 A N 1.354 123.859 122.820 -0.525 0.000 2.320 154 A HA 0.843 5.163 4.320 -0.001 0.000 0.334 154 A C -1.030 176.222 177.584 -0.553 0.000 1.147 154 A CA -0.445 51.330 52.037 -0.436 0.000 0.820 154 A CB 0.781 19.633 19.000 -0.246 0.000 1.218 154 A HN 0.605 nan 8.150 nan 0.000 0.482 155 Y N -0.475 119.747 120.300 -0.130 0.000 2.477 155 Y HA 0.565 5.115 4.550 -0.001 0.000 0.347 155 Y C 0.688 176.711 175.900 0.206 0.000 0.981 155 Y CA -0.574 57.565 58.100 0.066 0.000 1.033 155 Y CB 2.478 41.118 38.460 0.300 0.000 1.245 155 Y HN 0.829 nan 8.280 nan 0.000 0.455 156 G N 1.831 110.769 108.800 0.230 0.000 2.384 156 G HA2 0.481 4.441 3.960 -0.001 0.000 0.316 156 G HA3 0.481 4.441 3.960 -0.001 0.000 0.316 156 G C -1.902 173.024 174.900 0.044 0.000 1.160 156 G CA -0.346 44.891 45.100 0.228 0.000 0.936 156 G HN 0.480 nan 8.290 nan 0.000 0.455 157 Y N 1.540 122.034 120.300 0.323 0.000 2.341 157 Y HA 0.630 5.180 4.550 -0.001 0.000 0.338 157 Y C 0.813 176.975 175.900 0.436 0.000 0.965 157 Y CA 0.217 58.479 58.100 0.269 0.000 1.108 157 Y CB 2.534 41.210 38.460 0.360 0.000 1.180 157 Y HN 0.786 nan 8.280 nan 0.000 0.458 158 G N 2.720 111.773 108.800 0.422 0.000 2.947 158 G HA2 0.618 4.577 3.960 -0.001 0.000 0.293 158 G HA3 0.618 4.577 3.960 -0.001 0.000 0.293 158 G C -1.333 173.786 174.900 0.365 0.000 1.243 158 G CA -0.835 44.586 45.100 0.535 0.000 0.802 158 G HN 0.451 nan 8.290 nan 0.000 0.560 159 I N -0.067 120.620 120.570 0.195 0.000 2.707 159 I HA 0.504 4.674 4.170 -0.001 0.000 0.309 159 I C 0.061 176.064 176.117 -0.191 0.000 1.001 159 I CA -0.855 60.460 61.300 0.025 0.000 1.129 159 I CB 2.181 40.019 38.000 -0.269 0.000 1.308 159 I HN 0.246 nan 8.210 nan 0.000 0.466 160 R N 3.691 124.116 120.500 -0.125 0.000 2.471 160 R HA 0.291 4.630 4.340 -0.001 0.000 0.292 160 R C -1.458 174.792 176.300 -0.084 0.000 1.192 160 R CA -0.648 55.391 56.100 -0.101 0.000 1.257 160 R CB 0.231 30.461 30.300 -0.117 0.000 1.130 160 R HN 0.404 nan 8.270 nan 0.000 0.558 161 Y N 1.730 122.152 120.300 0.203 0.000 2.632 161 Y HA -0.099 4.451 4.550 -0.001 0.000 0.329 161 Y C 1.526 177.566 175.900 0.232 0.000 1.174 161 Y CA 0.110 58.334 58.100 0.208 0.000 1.469 161 Y CB 0.681 39.273 38.460 0.221 0.000 1.242 161 Y HN 0.592 nan 8.280 nan 0.000 0.540 162 E N 2.459 122.773 120.200 0.190 0.000 2.106 162 E HA -0.031 4.319 4.350 -0.001 0.000 0.192 162 E C -0.917 175.416 176.600 -0.446 0.000 0.984 162 E CA 1.151 57.401 56.400 -0.249 0.000 0.806 162 E CB 0.063 29.481 29.700 -0.471 0.000 0.750 162 E HN 0.403 nan 8.360 nan 0.000 0.458 163 F N -0.684 119.458 119.950 0.319 0.000 2.562 163 F HA 0.568 5.095 4.527 -0.001 0.000 0.319 163 F C 0.622 176.619 175.800 0.328 0.000 1.154 163 F CA -1.048 57.156 58.000 0.339 0.000 0.931 163 F CB 1.379 40.504 39.000 0.207 0.000 1.198 163 F HN -0.099 nan 8.300 nan 0.000 0.444 164 G N 2.023 111.124 108.800 0.501 0.000 2.634 164 G HA2 0.341 4.301 3.960 -0.001 0.000 0.255 164 G HA3 0.341 4.301 3.960 -0.001 0.000 0.255 164 G C -0.091 174.928 174.900 0.199 0.000 1.205 164 G CA -0.745 44.490 45.100 0.225 0.000 0.884 164 G HN 0.836 nan 8.290 nan 0.000 0.549 165 I N 0.828 121.445 120.570 0.078 0.000 2.845 165 I HA 0.023 4.192 4.170 -0.001 0.000 0.296 165 I C 1.014 177.171 176.117 0.067 0.000 1.216 165 I CA -0.468 60.902 61.300 0.117 0.000 1.438 165 I CB 0.127 38.148 38.000 0.035 0.000 1.342 165 I HN 0.488 nan 8.210 nan 0.000 0.577 166 F N 6.379 126.379 119.950 0.083 0.000 2.518 166 F HA -0.146 4.381 4.527 -0.001 0.000 0.329 166 F C -0.021 175.844 175.800 0.107 0.000 1.009 166 F CA -0.093 57.962 58.000 0.092 0.000 1.248 166 F CB -0.413 38.631 39.000 0.073 0.000 0.933 166 F HN 0.441 nan 8.300 nan 0.000 0.625 167 N N 2.383 121.185 118.700 0.169 0.000 2.425 167 N HA 0.060 4.799 4.740 -0.001 0.000 0.268 167 N C -0.840 174.814 175.510 0.240 0.000 0.991 167 N CA -0.673 52.428 53.050 0.084 0.000 0.931 167 N CB 0.983 39.538 38.487 0.113 0.000 1.130 167 N HN 0.703 nan 8.380 nan 0.000 0.493 168 Q N 2.526 122.444 119.800 0.198 0.000 2.332 168 Q HA 0.071 4.411 4.340 -0.001 0.000 0.263 168 Q C -0.985 175.160 176.000 0.242 0.000 0.979 168 Q CA 0.229 56.247 55.803 0.359 0.000 0.885 168 Q CB 0.697 29.645 28.738 0.349 0.000 1.218 168 Q HN 0.289 nan 8.270 nan 0.000 0.405 169 K N 4.849 125.383 120.400 0.224 0.000 2.579 169 K HA 0.302 4.622 4.320 -0.001 0.000 0.250 169 K C -1.329 175.354 176.600 0.138 0.000 0.952 169 K CA -0.508 55.870 56.287 0.151 0.000 0.857 169 K CB 0.867 33.441 32.500 0.123 0.000 1.123 169 K HN 0.527 nan 8.250 nan 0.000 0.433 170 I N 5.045 125.690 120.570 0.125 0.000 2.294 170 I HA 0.142 4.312 4.170 -0.001 0.000 0.295 170 I C -0.367 175.799 176.117 0.081 0.000 1.098 170 I CA -0.629 60.733 61.300 0.103 0.000 1.277 170 I CB -0.264 37.799 38.000 0.105 0.000 1.434 170 I HN 0.557 nan 8.210 nan 0.000 0.498 171 C N 4.718 124.081 119.300 0.106 0.000 2.246 171 C HA 0.515 4.974 4.460 -0.001 0.000 0.329 171 C C 1.379 176.459 174.990 0.151 0.000 1.221 171 C CA -0.589 58.490 59.018 0.101 0.000 1.697 171 C CB 0.009 27.803 27.740 0.091 0.000 2.312 171 C HN 1.063 nan 8.230 nan 0.000 0.509 172 G N 2.898 111.760 108.800 0.105 0.000 2.366 172 G HA2 0.164 4.123 3.960 -0.001 0.000 0.299 172 G HA3 0.164 4.123 3.960 -0.001 0.000 0.299 172 G C 1.115 176.057 174.900 0.070 0.000 1.020 172 G CA 0.801 45.968 45.100 0.111 0.000 1.026 172 G HN 2.261 nan 8.290 nan 0.000 0.512 173 G N -2.268 106.513 108.800 -0.032 0.000 2.304 173 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.252 173 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.252 173 G C 0.672 175.400 174.900 -0.287 0.000 1.014 173 G CA 0.773 45.742 45.100 -0.218 0.000 0.619 173 G HN 1.181 nan 8.290 nan 0.000 0.525 174 W N 1.019 122.285 121.300 -0.057 0.000 2.332 174 W HA 0.688 5.347 4.660 -0.001 0.000 0.351 174 W C 0.711 177.200 176.519 -0.050 0.000 1.195 174 W CA -0.522 56.785 57.345 -0.063 0.000 1.334 174 W CB 0.626 30.059 29.460 -0.046 0.000 1.206 174 W HN 0.216 nan 8.180 nan 0.000 0.637 175 Q N 1.620 121.556 119.800 0.227 0.000 2.274 175 Q HA 0.555 4.895 4.340 -0.001 0.000 0.260 175 Q C -1.367 174.702 176.000 0.115 0.000 0.974 175 Q CA -0.804 55.082 55.803 0.139 0.000 0.876 175 Q CB 1.446 30.250 28.738 0.110 0.000 1.297 175 Q HN 0.452 nan 8.270 nan 0.000 0.446 176 M N 2.527 122.195 119.600 0.113 0.000 2.383 176 M HA 0.282 4.762 4.480 -0.001 0.000 0.325 176 M C -1.477 174.886 176.300 0.104 0.000 1.092 176 M CA -0.306 55.041 55.300 0.078 0.000 0.961 176 M CB 2.071 34.720 32.600 0.082 0.000 1.672 176 M HN 0.468 nan 8.290 nan 0.000 0.438 177 E N 2.409 122.619 120.200 0.017 0.000 1.986 177 E HA 0.257 4.606 4.350 -0.001 0.000 0.264 177 E C -0.878 175.805 176.600 0.138 0.000 1.023 177 E CA -0.097 56.332 56.400 0.048 0.000 0.834 177 E CB 0.218 29.727 29.700 -0.318 0.000 1.111 177 E HN 0.471 nan 8.360 nan 0.000 0.417 178 E N 0.990 121.312 120.200 0.204 0.000 2.349 178 E HA 0.445 4.794 4.350 -0.001 0.000 0.262 178 E C -0.243 176.465 176.600 0.181 0.000 1.088 178 E CA -0.762 55.729 56.400 0.151 0.000 0.899 178 E CB 0.902 30.683 29.700 0.135 0.000 1.044 178 E HN 0.514 nan 8.360 nan 0.000 0.420 179 A N 2.362 125.261 122.820 0.131 0.000 2.522 179 A HA -0.033 4.287 4.320 -0.001 0.000 0.256 179 A C -0.131 177.580 177.584 0.213 0.000 1.086 179 A CA 0.020 52.139 52.037 0.137 0.000 0.763 179 A CB -0.063 18.985 19.000 0.079 0.000 1.024 179 A HN 0.505 nan 8.150 nan 0.000 0.502 180 D N 2.249 122.809 120.400 0.267 0.000 2.563 180 D HA 0.170 4.810 4.640 -0.001 0.000 0.222 180 D C -0.049 176.526 176.300 0.458 0.000 1.145 180 D CA -0.107 54.073 54.000 0.300 0.000 1.001 180 D CB 0.268 41.204 40.800 0.227 0.000 1.049 180 D HN 0.490 nan 8.370 nan 0.000 0.515 181 D N 3.074 123.713 120.400 0.399 0.000 3.038 181 D HA -0.030 4.610 4.640 -0.001 0.000 0.243 181 D C 1.547 177.991 176.300 0.240 0.000 1.245 181 D CA -0.563 53.672 54.000 0.392 0.000 0.871 181 D CB -0.179 40.820 40.800 0.331 0.000 1.089 181 D HN 0.463 nan 8.370 nan 0.000 0.464 182 W N 0.292 121.670 121.300 0.129 0.000 2.321 182 W HA -0.198 4.462 4.660 -0.001 0.000 0.306 182 W C 0.626 177.203 176.519 0.097 0.000 1.217 182 W CA 0.363 57.776 57.345 0.113 0.000 1.257 182 W CB -1.180 28.343 29.460 0.105 0.000 1.145 182 W HN 0.128 nan 8.180 nan 0.000 0.509 183 L N 1.425 122.089 121.223 -0.932 0.000 2.642 183 L HA -0.083 4.256 4.340 -0.001 0.000 0.236 183 L C 2.809 179.430 176.870 -0.415 0.000 1.169 183 L CA 0.563 54.883 54.840 -0.866 0.000 0.851 183 L CB -0.642 40.813 42.059 -1.005 0.000 0.968 183 L HN -0.048 nan 8.230 nan 0.000 0.453 184 R N -0.360 119.965 120.500 -0.293 0.000 2.136 184 R HA -0.234 4.106 4.340 -0.001 0.000 0.242 184 R C 1.303 177.317 176.300 -0.478 0.000 1.131 184 R CA 2.158 58.004 56.100 -0.422 0.000 0.937 184 R CB -0.343 29.561 30.300 -0.659 0.000 0.863 184 R HN 0.301 nan 8.270 nan 0.000 0.435 185 Y N -0.413 119.898 120.300 0.017 0.000 2.468 185 Y HA 0.305 4.854 4.550 -0.001 0.000 0.268 185 Y C 0.870 176.742 175.900 -0.046 0.000 1.177 185 Y CA 0.251 58.389 58.100 0.063 0.000 1.265 185 Y CB 0.420 39.047 38.460 0.278 0.000 1.103 185 Y HN 0.292 nan 8.280 nan 0.000 0.522 186 G N 1.658 110.431 108.800 -0.044 0.000 2.731 186 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.686 186 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.686 186 G C -0.893 173.969 174.900 -0.063 0.000 1.395 186 G CA -0.629 44.389 45.100 -0.136 0.000 0.870 186 G HN 0.367 nan 8.290 nan 0.000 0.591 187 N N 2.165 120.812 118.700 -0.088 0.000 2.469 187 N HA 0.529 5.268 4.740 -0.001 0.000 0.253 187 N C -0.402 175.053 175.510 -0.092 0.000 0.970 187 N CA -2.142 50.938 53.050 0.049 0.000 0.940 187 N CB 1.772 40.321 38.487 0.103 0.000 1.128 187 N HN 0.260 nan 8.380 nan 0.000 0.503 188 P HA -0.028 nan 4.420 nan 0.000 0.234 188 P C 0.409 177.315 177.300 -0.656 0.000 1.167 188 P CA 0.811 63.503 63.100 -0.679 0.000 0.763 188 P CB 0.023 31.050 31.700 -1.121 0.000 0.835 189 W N 1.741 123.006 121.300 -0.058 0.000 2.640 189 W HA 0.079 4.738 4.660 -0.001 0.000 0.268 189 W C 1.107 177.588 176.519 -0.064 0.000 1.263 189 W CA -0.342 56.968 57.345 -0.058 0.000 1.344 189 W CB -0.117 29.341 29.460 -0.004 0.000 1.093 189 W HN 0.016 nan 8.180 nan 0.000 0.603 190 E N 1.613 121.899 120.200 0.143 0.000 2.266 190 E HA 0.369 4.719 4.350 -0.001 0.000 0.277 190 E C -0.651 175.982 176.600 0.054 0.000 1.018 190 E CA -0.852 55.617 56.400 0.116 0.000 0.840 190 E CB 1.479 31.295 29.700 0.193 0.000 1.082 190 E HN -0.233 nan 8.360 nan 0.000 0.395 191 K N 2.072 122.469 120.400 -0.005 0.000 2.450 191 K HA 0.471 4.791 4.320 -0.001 0.000 0.257 191 K C -1.090 175.407 176.600 -0.172 0.000 0.953 191 K CA -0.526 55.715 56.287 -0.075 0.000 0.844 191 K CB 1.594 34.021 32.500 -0.122 0.000 1.103 191 K HN 0.668 nan 8.250 nan 0.000 0.429 192 A N 4.587 127.200 122.820 -0.344 0.000 2.477 192 A HA 0.245 4.565 4.320 -0.001 0.000 0.246 192 A C -0.376 176.939 177.584 -0.448 0.000 1.078 192 A CA -0.133 51.400 52.037 -0.841 0.000 0.770 192 A CB 0.165 18.656 19.000 -0.848 0.000 1.011 192 A HN 0.823 nan 8.150 nan 0.000 0.494 193 R N 3.316 123.595 120.500 -0.368 0.000 2.664 193 R HA 0.210 4.549 4.340 -0.001 0.000 0.281 193 R C -2.416 173.791 176.300 -0.156 0.000 1.383 193 R CA -1.503 54.482 56.100 -0.192 0.000 1.563 193 R CB 0.844 31.186 30.300 0.068 0.000 1.131 193 R HN 0.470 nan 8.270 nan 0.000 0.599 194 P HA -0.233 nan 4.420 nan 0.000 0.215 194 P C 1.235 178.489 177.300 -0.078 0.000 1.153 194 P CA 1.143 64.185 63.100 -0.097 0.000 0.853 194 P CB 0.205 31.845 31.700 -0.100 0.000 0.788 195 E N -0.652 119.422 120.200 -0.210 0.000 2.396 195 E HA -0.173 4.176 4.350 -0.001 0.000 0.200 195 E C 0.214 176.765 176.600 -0.082 0.000 1.023 195 E CA 1.113 57.362 56.400 -0.252 0.000 0.857 195 E CB -0.815 28.577 29.700 -0.513 0.000 0.775 195 E HN 0.262 nan 8.360 nan 0.000 0.525 196 F N 1.486 121.457 119.950 0.036 0.000 2.855 196 F HA 0.278 4.805 4.527 -0.001 0.000 0.317 196 F C 0.064 175.939 175.800 0.124 0.000 1.169 196 F CA -0.959 57.087 58.000 0.077 0.000 1.299 196 F CB 0.312 39.362 39.000 0.083 0.000 0.962 196 F HN -0.294 nan 8.300 nan 0.000 0.506 197 T N 3.462 118.169 114.554 0.255 0.000 2.779 197 T HA 0.422 4.771 4.350 -0.001 0.000 0.296 197 T C 0.366 175.158 174.700 0.153 0.000 0.938 197 T CA 0.098 62.326 62.100 0.212 0.000 1.119 197 T CB 0.502 69.460 68.868 0.151 0.000 0.891 197 T HN 0.027 nan 8.240 nan 0.000 0.526 198 L N 6.152 127.439 121.223 0.106 0.000 2.352 198 L HA 0.549 4.888 4.340 -0.001 0.000 0.269 198 L C -1.936 174.909 176.870 -0.041 0.000 1.034 198 L CA -2.565 52.267 54.840 -0.012 0.000 0.806 198 L CB 1.239 43.212 42.059 -0.143 0.000 1.244 198 L HN 0.367 nan 8.230 nan 0.000 0.447 199 P HA 0.264 nan 4.420 nan 0.000 0.281 199 P C -1.143 176.048 177.300 -0.183 0.000 1.249 199 P CA -0.358 62.724 63.100 -0.030 0.000 0.810 199 P CB 2.242 33.979 31.700 0.061 0.000 1.008 200 V N 3.213 123.063 119.914 -0.106 0.000 2.686 200 V HA 0.315 4.435 4.120 -0.001 0.000 0.306 200 V C -0.502 175.557 176.094 -0.058 0.000 1.065 200 V CA -0.515 61.633 62.300 -0.254 0.000 0.894 200 V CB 1.670 33.332 31.823 -0.268 0.000 1.004 200 V HN 0.624 nan 8.190 nan 0.000 0.424 201 H N 4.015 122.925 119.070 -0.266 0.000 2.529 201 H HA 0.761 5.317 4.556 -0.001 0.000 0.348 201 H C -1.018 174.090 175.328 -0.367 0.000 1.152 201 H CA -1.131 54.709 56.048 -0.347 0.000 1.202 201 H CB 1.516 30.824 29.762 -0.757 0.000 1.562 201 H HN 0.456 nan 8.280 nan 0.000 0.515 202 F N 0.190 120.236 119.950 0.161 0.000 2.620 202 F HA 0.348 4.874 4.527 -0.001 0.000 0.320 202 F C -0.277 175.603 175.800 0.134 0.000 1.069 202 F CA -0.629 57.437 58.000 0.110 0.000 0.953 202 F CB 0.960 39.922 39.000 -0.063 0.000 1.322 202 F HN 0.477 nan 8.300 nan 0.000 0.479 203 Y N -0.052 120.540 120.300 0.487 0.000 2.921 203 Y HA 0.115 4.664 4.550 -0.001 0.000 0.465 203 Y C 1.004 177.146 175.900 0.402 0.000 1.213 203 Y CA 0.423 58.718 58.100 0.324 0.000 2.445 203 Y CB -1.770 36.804 38.460 0.190 0.000 1.250 203 Y HN 1.354 nan 8.280 nan 0.000 0.635 204 G N 0.193 109.251 108.800 0.430 0.000 2.610 204 G HA2 0.306 4.265 3.960 -0.001 0.000 0.304 204 G HA3 0.306 4.265 3.960 -0.001 0.000 0.304 204 G C -0.997 174.109 174.900 0.343 0.000 1.309 204 G CA -0.018 45.278 45.100 0.327 0.000 0.906 204 G HN 1.214 nan 8.290 nan 0.000 0.521 205 R N -2.279 118.408 120.500 0.311 0.000 2.795 205 R HA 0.827 5.167 4.340 -0.001 0.000 0.268 205 R C -1.391 175.031 176.300 0.203 0.000 1.041 205 R CA -1.089 55.130 56.100 0.199 0.000 0.927 205 R CB 1.754 32.123 30.300 0.115 0.000 1.235 205 R HN 0.896 nan 8.270 nan 0.000 0.463 206 V N 0.778 120.727 119.914 0.060 0.000 2.588 206 V HA 0.369 4.489 4.120 -0.001 0.000 0.304 206 V C -0.491 175.489 176.094 -0.190 0.000 1.042 206 V CA -0.792 61.471 62.300 -0.062 0.000 0.877 206 V CB 1.758 33.484 31.823 -0.161 0.000 0.996 206 V HN 0.684 nan 8.190 nan 0.000 0.425 207 E N 2.846 122.912 120.200 -0.224 0.000 2.202 207 E HA 0.508 4.858 4.350 -0.001 0.000 0.272 207 E C -1.212 175.128 176.600 -0.433 0.000 0.951 207 E CA -0.837 55.430 56.400 -0.222 0.000 0.813 207 E CB 1.720 31.375 29.700 -0.074 0.000 1.151 207 E HN 0.622 nan 8.360 nan 0.000 0.398 208 H N 1.889 120.972 119.070 0.021 0.000 2.718 208 H HA 0.184 4.740 4.556 -0.001 0.000 0.295 208 H C 0.058 175.393 175.328 0.012 0.000 1.051 208 H CA -0.310 55.745 56.048 0.011 0.000 1.260 208 H CB 0.973 30.735 29.762 -0.001 0.000 1.403 208 H HN 0.570 nan 8.280 nan 0.000 0.488 209 T N -0.810 113.789 114.554 0.075 0.000 2.852 209 T HA 0.153 4.503 4.350 -0.001 0.000 0.281 209 T C 1.686 176.420 174.700 0.056 0.000 0.993 209 T CA -0.162 61.969 62.100 0.052 0.000 0.933 209 T CB 0.882 69.768 68.868 0.030 0.000 1.187 209 T HN 0.394 nan 8.240 nan 0.000 0.559 210 S N 0.566 116.289 115.700 0.039 0.000 2.353 210 S HA -0.229 4.240 4.470 -0.001 0.000 0.222 210 S C 1.940 176.559 174.600 0.032 0.000 1.035 210 S CA 1.251 59.470 58.200 0.031 0.000 1.025 210 S CB -0.869 62.345 63.200 0.024 0.000 0.902 210 S HN 0.722 nan 8.310 nan 0.000 0.440 211 Q N 1.262 121.082 119.800 0.032 0.000 2.432 211 Q HA 0.464 4.804 4.340 -0.001 0.000 0.205 211 Q C 1.206 177.230 176.000 0.040 0.000 0.945 211 Q CA 0.704 56.526 55.803 0.032 0.000 0.924 211 Q CB 0.251 29.006 28.738 0.028 0.000 1.016 211 Q HN 0.737 nan 8.270 nan 0.000 0.503 212 G N -1.037 107.795 108.800 0.053 0.000 2.591 212 G HA2 0.475 4.435 3.960 -0.001 0.000 0.104 212 G HA3 0.475 4.435 3.960 -0.001 0.000 0.104 212 G C -1.648 173.314 174.900 0.104 0.000 1.097 212 G CA -0.405 44.739 45.100 0.072 0.000 1.076 212 G HN 0.217 nan 8.290 nan 0.000 0.485 213 A N -0.616 122.257 122.820 0.090 0.000 2.384 213 A HA 0.930 5.250 4.320 -0.001 0.000 0.312 213 A C -0.821 176.763 177.584 0.000 0.000 1.113 213 A CA -0.373 51.687 52.037 0.038 0.000 0.779 213 A CB 2.116 21.177 19.000 0.102 0.000 1.307 213 A HN 0.728 nan 8.150 nan 0.000 0.436 214 K N 0.229 120.600 120.400 -0.048 0.000 2.513 214 K HA 0.425 4.744 4.320 -0.001 0.000 0.251 214 K C -1.989 174.664 176.600 0.089 0.000 0.939 214 K CA -0.167 56.138 56.287 0.029 0.000 0.793 214 K CB 1.479 33.985 32.500 0.009 0.000 1.241 214 K HN 0.678 nan 8.250 nan 0.000 0.431 215 W N 6.415 127.683 121.300 -0.054 0.000 2.278 215 W HA 0.487 5.146 4.660 -0.001 0.000 0.317 215 W C -1.104 175.411 176.519 -0.007 0.000 1.030 215 W CA -1.064 56.258 57.345 -0.038 0.000 1.334 215 W CB 0.269 29.718 29.460 -0.019 0.000 1.215 215 W HN 0.309 nan 8.180 nan 0.000 0.405 216 V N 2.987 122.989 119.914 0.146 0.000 3.019 216 V HA 0.607 4.726 4.120 -0.001 0.000 0.317 216 V C -0.281 175.788 176.094 -0.042 0.000 1.094 216 V CA -1.028 61.268 62.300 -0.007 0.000 1.000 216 V CB 1.825 33.656 31.823 0.013 0.000 1.060 216 V HN 0.526 nan 8.190 nan 0.000 0.443 217 D N 0.319 120.667 120.400 -0.086 0.000 2.812 217 D HA -0.139 4.501 4.640 -0.001 0.000 0.237 217 D C 0.382 176.631 176.300 -0.085 0.000 1.162 217 D CA 1.400 55.357 54.000 -0.071 0.000 0.740 217 D CB -1.897 38.896 40.800 -0.011 0.000 1.000 217 D HN 1.257 nan 8.370 nan 0.000 0.416 218 T N -2.907 111.512 114.554 -0.225 0.000 2.929 218 T HA 0.493 4.843 4.350 -0.001 0.000 0.284 218 T C 0.314 174.930 174.700 -0.140 0.000 1.014 218 T CA -0.963 60.997 62.100 -0.234 0.000 1.051 218 T CB 2.432 70.916 68.868 -0.640 0.000 1.028 218 T HN 0.097 nan 8.240 nan 0.000 0.485 219 Q N 0.980 120.825 119.800 0.074 0.000 2.286 219 Q HA 0.467 4.806 4.340 -0.001 0.000 0.257 219 Q C -0.903 175.181 176.000 0.140 0.000 0.941 219 Q CA -0.527 55.363 55.803 0.144 0.000 0.912 219 Q CB 1.420 30.361 28.738 0.338 0.000 1.192 219 Q HN 0.513 nan 8.270 nan 0.000 0.410 220 V N 3.846 123.815 119.914 0.092 0.000 2.459 220 V HA 0.394 4.513 4.120 -0.001 0.000 0.295 220 V C -0.096 176.132 176.094 0.223 0.000 1.029 220 V CA -0.587 61.799 62.300 0.142 0.000 0.874 220 V CB 1.775 33.610 31.823 0.020 0.000 0.985 220 V HN 0.496 nan 8.190 nan 0.000 0.438 221 V N 5.598 125.701 119.914 0.314 0.000 2.881 221 V HA 0.559 4.678 4.120 -0.001 0.000 0.316 221 V C -0.292 175.974 176.094 0.287 0.000 1.070 221 V CA -0.793 61.711 62.300 0.339 0.000 0.976 221 V CB 2.142 34.280 31.823 0.525 0.000 1.038 221 V HN 0.602 nan 8.190 nan 0.000 0.446 222 L N 2.510 123.907 121.223 0.289 0.000 2.322 222 L HA 0.760 5.100 4.340 -0.001 0.000 0.281 222 L C 0.090 177.171 176.870 0.352 0.000 1.014 222 L CA -0.668 54.316 54.840 0.241 0.000 0.815 222 L CB 1.788 43.959 42.059 0.187 0.000 1.247 222 L HN 0.752 nan 8.230 nan 0.000 0.421 223 A N 5.514 128.448 122.820 0.191 0.000 2.253 223 A HA 0.575 4.895 4.320 -0.001 0.000 0.316 223 A C -0.372 177.452 177.584 0.400 0.000 1.327 223 A CA -0.387 51.770 52.037 0.200 0.000 0.917 223 A CB 0.740 19.439 19.000 -0.503 0.000 1.162 223 A HN 0.784 nan 8.150 nan 0.000 0.535 224 M N 6.379 126.272 119.600 0.488 0.000 2.149 224 M HA 0.452 4.931 4.480 -0.001 0.000 0.342 224 M C -2.702 173.830 176.300 0.387 0.000 1.068 224 M CA -2.167 53.362 55.300 0.382 0.000 0.991 224 M CB 2.347 35.093 32.600 0.243 0.000 1.596 224 M HN 0.396 nan 8.290 nan 0.000 0.439 225 P HA 0.286 nan 4.420 nan 0.000 0.284 225 P C -1.947 175.286 177.300 -0.111 0.000 1.258 225 P CA -0.164 62.830 63.100 -0.176 0.000 0.824 225 P CB 0.974 32.310 31.700 -0.605 0.000 1.038 226 Y N 0.116 120.284 120.300 -0.220 0.000 2.376 226 Y HA 0.347 4.896 4.550 -0.001 0.000 0.340 226 Y C 0.054 175.839 175.900 -0.191 0.000 0.965 226 Y CA -0.061 57.955 58.100 -0.140 0.000 1.078 226 Y CB 1.579 39.987 38.460 -0.087 0.000 1.193 226 Y HN 0.223 nan 8.280 nan 0.000 0.452 227 D N 1.671 122.039 120.400 -0.053 0.000 2.308 227 D HA 0.421 5.061 4.640 -0.001 0.000 0.242 227 D C -0.860 175.349 176.300 -0.151 0.000 1.059 227 D CA -0.366 53.552 54.000 -0.137 0.000 0.830 227 D CB 1.683 42.374 40.800 -0.182 0.000 1.161 227 D HN 0.346 nan 8.370 nan 0.000 0.494 228 T N 3.188 117.651 114.554 -0.150 0.000 2.792 228 T HA 0.466 4.815 4.350 -0.001 0.000 0.280 228 T C -2.518 172.075 174.700 -0.179 0.000 0.990 228 T CA -1.549 60.481 62.100 -0.117 0.000 0.960 228 T CB 1.827 70.672 68.868 -0.039 0.000 0.939 228 T HN 0.149 nan 8.240 nan 0.000 0.439 229 P HA 0.204 nan 4.420 nan 0.000 0.268 229 P C -0.628 176.655 177.300 -0.028 0.000 1.205 229 P CA -0.314 62.697 63.100 -0.148 0.000 0.771 229 P CB 0.644 32.254 31.700 -0.151 0.000 0.858 230 V N 0.931 120.871 119.914 0.042 0.000 2.409 230 V HA 0.575 4.694 4.120 -0.001 0.000 0.290 230 V C -2.740 173.379 176.094 0.042 0.000 1.017 230 V CA -2.667 59.638 62.300 0.009 0.000 0.841 230 V CB 1.912 33.735 31.823 0.000 0.000 1.003 230 V HN 0.373 nan 8.190 nan 0.000 0.426 231 P HA 0.447 nan 4.420 nan 0.000 0.294 231 P C 0.356 177.678 177.300 0.037 0.000 1.294 231 P CA 0.256 63.377 63.100 0.035 0.000 0.827 231 P CB 2.018 33.730 31.700 0.019 0.000 0.992 232 G N 2.143 110.970 108.800 0.045 0.000 2.539 232 G HA2 0.135 4.095 3.960 -0.001 0.000 0.258 232 G HA3 0.135 4.095 3.960 -0.001 0.000 0.258 232 G C -1.079 173.867 174.900 0.075 0.000 1.202 232 G CA -0.417 44.723 45.100 0.066 0.000 0.851 232 G HN 0.475 nan 8.290 nan 0.000 0.556 233 Y N 1.435 121.727 120.300 -0.013 0.000 2.697 233 Y HA 0.154 4.704 4.550 -0.001 0.000 0.349 233 Y C 1.615 177.498 175.900 -0.028 0.000 1.120 233 Y CA 0.167 58.250 58.100 -0.027 0.000 1.468 233 Y CB -0.105 38.334 38.460 -0.035 0.000 1.182 233 Y HN 0.762 nan 8.280 nan 0.000 0.525 234 R N 2.440 122.690 120.500 -0.416 0.000 3.847 234 R HA -0.300 4.040 4.340 -0.001 0.000 0.304 234 R C 0.502 176.713 176.300 -0.148 0.000 1.203 234 R CA 1.047 56.938 56.100 -0.348 0.000 0.835 234 R CB -1.658 28.299 30.300 -0.571 0.000 1.253 234 R HN 0.815 nan 8.270 nan 0.000 0.516 235 N N -0.105 118.551 118.700 -0.074 0.000 2.236 235 N HA -0.027 4.712 4.740 -0.001 0.000 0.196 235 N C 0.212 175.693 175.510 -0.049 0.000 1.114 235 N CA 0.196 53.221 53.050 -0.041 0.000 0.859 235 N CB 0.230 38.715 38.487 -0.003 0.000 0.982 235 N HN 0.195 nan 8.380 nan 0.000 0.493 236 N N -0.909 117.760 118.700 -0.051 0.000 2.948 236 N HA -0.126 4.614 4.740 -0.001 0.000 0.239 236 N C -1.232 174.249 175.510 -0.049 0.000 0.954 236 N CA 0.576 53.598 53.050 -0.047 0.000 0.941 236 N CB -1.574 36.878 38.487 -0.059 0.000 1.101 236 N HN 0.181 nan 8.380 nan 0.000 0.579 237 V N 1.404 121.298 119.914 -0.033 0.000 2.385 237 V HA 0.440 4.560 4.120 -0.001 0.000 0.269 237 V C 0.506 176.609 176.094 0.016 0.000 1.043 237 V CA -0.422 61.862 62.300 -0.026 0.000 0.906 237 V CB 1.801 33.637 31.823 0.022 0.000 0.995 237 V HN -0.036 nan 8.190 nan 0.000 0.467 238 V N 5.510 125.436 119.914 0.020 0.000 2.531 238 V HA 0.539 4.659 4.120 -0.001 0.000 0.301 238 V C -0.206 175.987 176.094 0.166 0.000 1.034 238 V CA -0.776 61.599 62.300 0.125 0.000 0.865 238 V CB 1.952 33.899 31.823 0.207 0.000 0.995 238 V HN 0.829 nan 8.190 nan 0.000 0.424 239 N N 1.538 120.356 118.700 0.196 0.000 2.525 239 N HA 0.611 5.351 4.740 -0.001 0.000 0.288 239 N C -0.318 175.350 175.510 0.262 0.000 1.242 239 N CA -0.457 52.689 53.050 0.160 0.000 0.905 239 N CB 1.900 40.410 38.487 0.039 0.000 1.258 239 N HN 0.613 nan 8.380 nan 0.000 0.551 240 T N 0.874 115.533 114.554 0.175 0.000 2.859 240 T HA 0.452 4.802 4.350 -0.001 0.000 0.281 240 T C -0.107 174.596 174.700 0.006 0.000 1.005 240 T CA -0.424 61.801 62.100 0.209 0.000 1.025 240 T CB 0.848 69.967 68.868 0.418 0.000 0.977 240 T HN 0.263 nan 8.240 nan 0.000 0.458 241 M N 3.205 122.740 119.600 -0.107 0.000 2.181 241 M HA 0.614 5.093 4.480 -0.001 0.000 0.323 241 M C -0.932 175.159 176.300 -0.348 0.000 1.004 241 M CA -0.859 54.272 55.300 -0.282 0.000 0.941 241 M CB 1.135 33.559 32.600 -0.294 0.000 1.579 241 M HN 0.439 nan 8.290 nan 0.000 0.427 242 R N 5.296 125.455 120.500 -0.569 0.000 2.409 242 R HA 0.682 5.022 4.340 -0.001 0.000 0.313 242 R C -2.181 173.724 176.300 -0.659 0.000 0.953 242 R CA -0.255 55.427 56.100 -0.696 0.000 0.849 242 R CB 1.011 30.612 30.300 -1.164 0.000 1.171 242 R HN 0.767 nan 8.270 nan 0.000 0.458 243 L N 4.159 125.102 121.223 -0.467 0.000 2.362 243 L HA 0.599 4.939 4.340 -0.001 0.000 0.275 243 L C -0.716 175.995 176.870 -0.266 0.000 0.998 243 L CA -0.910 53.762 54.840 -0.280 0.000 0.820 243 L CB 1.692 43.688 42.059 -0.106 0.000 1.270 243 L HN 0.517 nan 8.230 nan 0.000 0.415 244 W N 1.634 123.038 121.300 0.174 0.000 2.272 244 W HA 0.460 5.120 4.660 -0.001 0.000 0.318 244 W C 0.631 177.373 176.519 0.373 0.000 1.255 244 W CA -0.010 57.485 57.345 0.250 0.000 1.200 244 W CB 1.398 30.936 29.460 0.130 0.000 1.170 244 W HN 0.365 nan 8.180 nan 0.000 0.549 245 S N 1.739 117.817 115.700 0.629 0.000 2.501 245 S HA 0.782 5.251 4.470 -0.001 0.000 0.301 245 S C -0.560 174.369 174.600 0.548 0.000 1.096 245 S CA -0.732 57.740 58.200 0.454 0.000 1.063 245 S CB 0.781 64.224 63.200 0.405 0.000 1.042 245 S HN 0.485 nan 8.310 nan 0.000 0.494 246 A N 4.344 127.327 122.820 0.272 0.000 2.260 246 A HA 0.645 4.965 4.320 -0.001 0.000 0.308 246 A C -0.555 177.124 177.584 0.159 0.000 1.254 246 A CA -0.566 51.570 52.037 0.165 0.000 0.874 246 A CB 0.243 19.054 19.000 -0.314 0.000 1.153 246 A HN 0.765 nan 8.150 nan 0.000 0.527 247 K N 1.859 122.387 120.400 0.214 0.000 2.324 247 K HA 0.646 4.965 4.320 -0.001 0.000 0.253 247 K C -0.447 176.240 176.600 0.145 0.000 0.932 247 K CA -0.547 55.834 56.287 0.157 0.000 0.799 247 K CB 2.420 35.015 32.500 0.158 0.000 1.154 247 K HN 0.707 nan 8.250 nan 0.000 0.425 248 A N 3.925 126.809 122.820 0.106 0.000 2.363 248 A HA 0.409 4.728 4.320 -0.001 0.000 0.270 248 A C -1.750 175.886 177.584 0.088 0.000 1.121 248 A CA -1.142 50.954 52.037 0.099 0.000 0.800 248 A CB -0.362 18.682 19.000 0.073 0.000 1.052 248 A HN 0.565 nan 8.150 nan 0.000 0.493 265 A N 1.650 124.471 122.820 0.002 0.000 3.181 265 A HA 0.512 4.831 4.320 -0.001 0.000 0.293 265 A C 0.041 177.632 177.584 0.012 0.000 1.346 265 A CA 0.018 52.060 52.037 0.008 0.000 1.018 265 A CB -0.099 18.908 19.000 0.012 0.000 1.093 265 A HN 0.425 nan 8.150 nan 0.000 0.629 266 V N -0.922 118.997 119.914 0.009 0.000 2.950 266 V HA 0.036 4.156 4.120 -0.001 0.000 0.231 266 V C 2.165 178.265 176.094 0.011 0.000 1.205 266 V CA 0.623 62.930 62.300 0.011 0.000 1.239 266 V CB -0.958 30.870 31.823 0.008 0.000 1.050 266 V HN 0.632 nan 8.190 nan 0.000 0.498 267 L N 0.571 121.797 121.223 0.004 0.000 1.944 267 L HA -0.271 4.069 4.340 -0.001 0.000 0.218 267 L C 2.438 179.311 176.870 0.003 0.000 1.075 267 L CA 2.550 57.390 54.840 0.001 0.000 0.767 267 L CB -0.482 41.572 42.059 -0.008 0.000 0.890 267 L HN 0.409 nan 8.230 nan 0.000 0.434 268 D N -0.759 119.641 120.400 0.001 0.000 2.103 268 D HA -0.279 4.361 4.640 -0.001 0.000 0.190 268 D C 2.081 178.395 176.300 0.023 0.000 0.997 268 D CA 1.651 55.657 54.000 0.008 0.000 0.833 268 D CB -0.381 40.424 40.800 0.008 0.000 0.961 268 D HN 0.216 nan 8.370 nan 0.000 0.447 269 R N 0.767 121.283 120.500 0.027 0.000 2.140 269 R HA -0.235 4.104 4.340 -0.001 0.000 0.250 269 R C 1.997 178.318 176.300 0.035 0.000 1.150 269 R CA 1.913 58.035 56.100 0.036 0.000 0.966 269 R CB -0.329 29.991 30.300 0.033 0.000 0.869 269 R HN 0.296 nan 8.270 nan 0.000 0.445 270 N N 0.492 119.209 118.700 0.028 0.000 2.080 270 N HA -0.170 4.570 4.740 -0.001 0.000 0.189 270 N C 1.847 177.374 175.510 0.027 0.000 1.036 270 N CA 1.518 54.587 53.050 0.032 0.000 0.846 270 N CB -0.122 38.380 38.487 0.025 0.000 1.015 270 N HN 0.335 nan 8.380 nan 0.000 0.423 271 L N 0.535 121.766 121.223 0.015 0.000 2.376 271 L HA 0.012 4.352 4.340 -0.001 0.000 0.219 271 L C 2.602 179.464 176.870 -0.013 0.000 1.133 271 L CA 0.630 55.470 54.840 0.000 0.000 0.816 271 L CB -0.321 41.733 42.059 -0.008 0.000 0.933 271 L HN 0.258 nan 8.230 nan 0.000 0.449 272 A N -0.095 122.729 122.820 0.007 0.000 1.855 272 A HA -0.132 4.187 4.320 -0.001 0.000 0.213 272 A C 2.041 179.620 177.584 -0.009 0.000 1.195 272 A CA 0.887 52.929 52.037 0.009 0.000 0.610 272 A CB -0.272 18.768 19.000 0.067 0.000 0.837 272 A HN 0.216 nan 8.150 nan 0.000 0.444 273 E N 0.262 120.477 120.200 0.024 0.000 2.331 273 E HA -0.157 4.192 4.350 -0.001 0.000 0.199 273 E C 1.452 178.075 176.600 0.039 0.000 1.008 273 E CA 1.022 57.444 56.400 0.036 0.000 0.843 273 E CB -0.580 29.155 29.700 0.059 0.000 0.761 273 E HN 0.749 nan 8.360 nan 0.000 0.507 274 N N -0.722 117.994 118.700 0.026 0.000 2.467 274 N HA 0.057 4.797 4.740 -0.001 0.000 0.184 274 N C 1.151 176.682 175.510 0.036 0.000 1.106 274 N CA 0.027 53.108 53.050 0.050 0.000 0.892 274 N CB 0.145 38.653 38.487 0.035 0.000 0.969 274 N HN 0.123 nan 8.380 nan 0.000 0.454 275 I N -0.702 119.839 120.570 -0.048 0.000 2.676 275 I HA -0.112 4.057 4.170 -0.001 0.000 0.259 275 I C 0.894 177.006 176.117 -0.009 0.000 1.194 275 I CA 0.057 61.294 61.300 -0.105 0.000 1.473 275 I CB -0.248 37.514 38.000 -0.396 0.000 1.096 275 I HN 0.073 nan 8.210 nan 0.000 0.443 290 E N 0.044 120.292 120.200 0.080 0.000 2.160 290 E HA -0.104 4.245 4.350 -0.001 0.000 0.195 290 E C 1.461 178.032 176.600 -0.049 0.000 0.991 290 E CA 1.395 57.786 56.400 -0.015 0.000 0.810 290 E CB -0.025 29.683 29.700 0.012 0.000 0.742 290 E HN 0.438 nan 8.360 nan 0.000 0.466 291 L N 0.557 121.782 121.223 0.004 0.000 2.353 291 L HA -0.129 4.211 4.340 -0.001 0.000 0.220 291 L C 2.526 179.418 176.870 0.037 0.000 1.133 291 L CA 0.790 55.630 54.840 0.001 0.000 0.798 291 L CB -0.047 42.027 42.059 0.025 0.000 0.922 291 L HN 0.063 nan 8.230 nan 0.000 0.445 292 R N -1.083 119.465 120.500 0.080 0.000 2.140 292 R HA -0.061 4.279 4.340 -0.001 0.000 0.213 292 R C 2.049 178.380 176.300 0.052 0.000 1.059 292 R CA 0.560 56.743 56.100 0.139 0.000 1.000 292 R CB 0.051 30.523 30.300 0.287 0.000 0.910 292 R HN 0.275 nan 8.270 nan 0.000 0.455 293 L N 1.496 122.596 121.223 -0.205 0.000 2.109 293 L HA -0.067 4.273 4.340 -0.001 0.000 0.207 293 L C 1.809 178.632 176.870 -0.079 0.000 1.086 293 L CA 1.773 56.351 54.840 -0.437 0.000 0.760 293 L CB -0.205 41.317 42.059 -0.894 0.000 0.910 293 L HN -0.051 nan 8.230 nan 0.000 0.437 294 K N -0.939 119.448 120.400 -0.023 0.000 2.026 294 K HA -0.234 4.086 4.320 -0.001 0.000 0.208 294 K C 2.158 178.944 176.600 0.310 0.000 1.048 294 K CA 1.790 58.151 56.287 0.123 0.000 0.929 294 K CB -0.188 32.149 32.500 -0.273 0.000 0.713 294 K HN 0.434 nan 8.250 nan 0.000 0.439 295 Q N 0.825 120.725 119.800 0.168 0.000 2.124 295 Q HA -0.199 4.141 4.340 -0.001 0.000 0.202 295 Q C 1.690 177.863 176.000 0.289 0.000 0.977 295 Q CA 1.541 57.473 55.803 0.215 0.000 0.850 295 Q CB 0.189 29.032 28.738 0.175 0.000 0.901 295 Q HN 0.340 nan 8.270 nan 0.000 0.429 296 E N -0.775 119.562 120.200 0.229 0.000 2.046 296 E HA -0.191 4.158 4.350 -0.001 0.000 0.190 296 E C 1.729 178.445 176.600 0.194 0.000 0.982 296 E CA 0.889 57.416 56.400 0.213 0.000 0.800 296 E CB -0.200 29.613 29.700 0.188 0.000 0.756 296 E HN 0.357 nan 8.360 nan 0.000 0.449 297 Y N 0.801 121.145 120.300 0.074 0.000 2.207 297 Y HA -0.287 4.262 4.550 -0.001 0.000 0.287 297 Y C 1.919 177.820 175.900 0.001 0.000 1.156 297 Y CA 1.254 59.341 58.100 -0.021 0.000 1.182 297 Y CB -0.427 37.997 38.460 -0.061 0.000 0.979 297 Y HN 0.033 nan 8.280 nan 0.000 0.521 298 F N -0.253 119.646 119.950 -0.085 0.000 2.025 298 F HA -0.280 4.246 4.527 -0.001 0.000 0.297 298 F C 2.574 178.207 175.800 -0.278 0.000 1.132 298 F CA 2.337 60.247 58.000 -0.150 0.000 1.191 298 F CB -1.167 37.907 39.000 0.124 0.000 0.963 298 F HN -0.097 nan 8.300 nan 0.000 0.481 299 V N -0.332 119.585 119.914 0.004 0.000 2.759 299 V HA -0.159 3.961 4.120 -0.001 0.000 0.256 299 V C 2.030 178.009 176.094 -0.192 0.000 1.080 299 V CA 1.618 63.886 62.300 -0.054 0.000 1.101 299 V CB -0.415 31.585 31.823 0.296 0.000 0.698 299 V HN 0.310 nan 8.190 nan 0.000 0.477 300 V N 0.319 120.093 119.914 -0.234 0.000 2.283 300 V HA -0.117 4.002 4.120 -0.001 0.000 0.243 300 V C 2.800 178.633 176.094 -0.434 0.000 1.039 300 V CA 2.098 64.244 62.300 -0.256 0.000 1.016 300 V CB -0.804 30.915 31.823 -0.174 0.000 0.650 300 V HN 0.644 nan 8.190 nan 0.000 0.449 301 A N -0.198 122.209 122.820 -0.689 0.000 1.877 301 A HA -0.149 4.170 4.320 -0.001 0.000 0.216 301 A C 2.393 179.573 177.584 -0.673 0.000 1.186 301 A CA 2.288 53.898 52.037 -0.712 0.000 0.620 301 A CB -0.927 17.456 19.000 -1.028 0.000 0.822 301 A HN 0.595 nan 8.150 nan 0.000 0.443 302 A N -1.105 121.153 122.820 -0.937 0.000 1.877 302 A HA -0.098 4.221 4.320 -0.001 0.000 0.216 302 A C 2.324 179.356 177.584 -0.921 0.000 1.186 302 A CA 2.372 53.654 52.037 -1.257 0.000 0.620 302 A CB -1.376 16.273 19.000 -2.253 0.000 0.822 302 A HN 0.433 nan 8.150 nan 0.000 0.443 303 T N 0.356 114.529 114.554 -0.635 0.000 2.746 303 T HA -0.075 4.274 4.350 -0.001 0.000 0.267 303 T C 1.772 176.196 174.700 -0.460 0.000 1.039 303 T CA 1.466 63.363 62.100 -0.338 0.000 1.142 303 T CB -0.330 68.389 68.868 -0.248 0.000 0.866 303 T HN 0.342 nan 8.240 nan 0.000 0.444 304 L N 0.468 121.455 121.223 -0.393 0.000 2.156 304 L HA -0.040 4.300 4.340 -0.001 0.000 0.208 304 L C 2.881 179.602 176.870 -0.249 0.000 1.095 304 L CA 0.979 55.630 54.840 -0.315 0.000 0.770 304 L CB -0.450 41.468 42.059 -0.236 0.000 0.914 304 L HN 0.300 nan 8.230 nan 0.000 0.439 305 Q N -0.057 119.586 119.800 -0.261 0.000 2.096 305 Q HA -0.253 4.086 4.340 -0.001 0.000 0.204 305 Q C 1.729 177.654 176.000 -0.124 0.000 0.982 305 Q CA 1.812 57.505 55.803 -0.183 0.000 0.850 305 Q CB 0.041 28.646 28.738 -0.221 0.000 0.901 305 Q HN 0.458 nan 8.270 nan 0.000 0.422 306 D N 0.079 120.396 120.400 -0.138 0.000 2.117 306 D HA -0.119 4.521 4.640 -0.001 0.000 0.197 306 D C 1.830 178.032 176.300 -0.164 0.000 0.987 306 D CA 0.844 54.792 54.000 -0.087 0.000 0.829 306 D CB -0.083 40.711 40.800 -0.010 0.000 0.961 306 D HN 0.273 nan 8.370 nan 0.000 0.460 307 I N 0.885 121.260 120.570 -0.326 0.000 2.142 307 I HA -0.242 3.928 4.170 -0.001 0.000 0.240 307 I C 2.267 178.395 176.117 0.018 0.000 1.078 307 I CA 0.669 61.754 61.300 -0.360 0.000 1.343 307 I CB -0.047 37.622 38.000 -0.552 0.000 1.046 307 I HN -0.005 nan 8.210 nan 0.000 0.405 308 I N 0.264 120.883 120.570 0.081 0.000 2.315 308 I HA -0.243 3.927 4.170 -0.001 0.000 0.248 308 I C 2.613 178.859 176.117 0.214 0.000 1.117 308 I CA 1.189 62.628 61.300 0.232 0.000 1.404 308 I CB -1.329 36.752 38.000 0.134 0.000 1.071 308 I HN 0.345 nan 8.210 nan 0.000 0.419 309 R N 1.660 122.217 120.500 0.096 0.000 2.103 309 R HA -0.226 4.113 4.340 -0.001 0.000 0.234 309 R C 2.296 178.663 176.300 0.112 0.000 1.132 309 R CA 2.028 58.174 56.100 0.077 0.000 0.925 309 R CB -0.511 29.802 30.300 0.022 0.000 0.842 309 R HN 0.203 nan 8.270 nan 0.000 0.430 310 R N -0.546 120.023 120.500 0.116 0.000 2.328 310 R HA -0.114 4.225 4.340 -0.001 0.000 0.207 310 R C 2.002 178.402 176.300 0.167 0.000 1.056 310 R CA 0.896 57.088 56.100 0.154 0.000 1.016 310 R CB -0.239 30.126 30.300 0.108 0.000 0.872 310 R HN 0.271 nan 8.270 nan 0.000 0.471 311 F N 0.551 120.534 119.950 0.055 0.000 2.179 311 F HA 0.064 4.590 4.527 -0.001 0.000 0.292 311 F C 1.518 177.324 175.800 0.010 0.000 1.089 311 F CA 1.151 59.178 58.000 0.045 0.000 1.295 311 F CB 0.091 39.194 39.000 0.172 0.000 1.041 311 F HN -0.180 nan 8.300 nan 0.000 0.487 312 K N -0.061 120.299 120.400 -0.067 0.000 2.031 312 K HA 0.022 4.342 4.320 -0.001 0.000 0.205 312 K C 1.114 177.631 176.600 -0.139 0.000 1.049 312 K CA 1.222 57.389 56.287 -0.200 0.000 0.939 312 K CB -0.516 31.976 32.500 -0.013 0.000 0.717 312 K HN 0.080 nan 8.250 nan 0.000 0.438 313 S N 2.096 117.783 115.700 -0.022 0.000 3.811 313 S HA 0.031 4.501 4.470 -0.001 0.000 0.205 313 S C 1.242 175.905 174.600 0.105 0.000 1.445 313 S CA -0.223 57.986 58.200 0.016 0.000 1.097 313 S CB 0.014 63.233 63.200 0.033 0.000 1.350 313 S HN 0.300 nan 8.310 nan 0.000 0.471 314 S N 1.225 116.933 115.700 0.013 0.000 2.395 314 S HA 0.031 4.500 4.470 -0.001 0.000 0.225 314 S C 0.865 175.560 174.600 0.159 0.000 1.027 314 S CA 0.288 58.525 58.200 0.061 0.000 0.965 314 S CB -0.168 62.957 63.200 -0.124 0.000 0.812 314 S HN 0.529 nan 8.310 nan 0.000 0.482 315 K N 0.884 121.326 120.400 0.071 0.000 2.368 315 K HA 0.167 4.487 4.320 -0.001 0.000 0.282 315 K C -0.831 175.828 176.600 0.098 0.000 1.035 315 K CA -0.674 55.667 56.287 0.089 0.000 0.973 315 K CB 0.150 32.670 32.500 0.034 0.000 0.957 315 K HN 0.263 nan 8.250 nan 0.000 0.474 316 F N 3.481 123.447 119.950 0.028 0.000 2.602 316 F HA 0.092 4.618 4.527 -0.001 0.000 0.385 316 F C 1.334 177.104 175.800 -0.049 0.000 1.063 316 F CA 2.070 60.069 58.000 -0.003 0.000 1.233 316 F CB 0.351 39.361 39.000 0.018 0.000 1.067 316 F HN 0.928 nan 8.300 nan 0.000 0.564 317 G N 3.057 111.506 108.800 -0.585 0.000 2.320 317 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.242 317 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.242 317 G C 0.144 174.918 174.900 -0.209 0.000 1.033 317 G CA 0.018 44.911 45.100 -0.345 0.000 0.620 317 G HN 0.998 nan 8.290 nan 0.000 0.517 318 C N 2.026 121.237 119.300 -0.147 0.000 2.255 318 C HA 0.788 5.248 4.460 -0.001 0.000 0.326 318 C C 1.838 176.755 174.990 -0.123 0.000 1.258 318 C CA -0.377 58.579 59.018 -0.103 0.000 1.676 318 C CB 0.288 27.997 27.740 -0.051 0.000 2.314 318 C HN 0.475 nan 8.230 nan 0.000 0.509 319 R N 1.966 122.398 120.500 -0.112 0.000 2.307 319 R HA 0.111 4.451 4.340 -0.001 0.000 0.199 319 R C 0.231 176.500 176.300 -0.051 0.000 1.000 319 R CA 0.421 56.465 56.100 -0.095 0.000 1.023 319 R CB -0.158 30.098 30.300 -0.073 0.000 0.908 319 R HN 0.739 nan 8.270 nan 0.000 0.473 320 D N 2.269 122.644 120.400 -0.042 0.000 2.341 320 D HA 0.062 4.701 4.640 -0.001 0.000 0.245 320 D C -2.244 174.038 176.300 -0.029 0.000 1.106 320 D CA -1.891 52.093 54.000 -0.027 0.000 0.905 320 D CB 0.512 41.299 40.800 -0.023 0.000 1.202 320 D HN -0.041 nan 8.370 nan 0.000 0.426 321 P HA -0.044 nan 4.420 nan 0.000 0.259 321 P C 0.665 177.935 177.300 -0.050 0.000 1.211 321 P CA 0.087 63.165 63.100 -0.035 0.000 0.810 321 P CB 0.667 32.360 31.700 -0.012 0.000 0.815 322 V N 4.289 124.156 119.914 -0.078 0.000 2.492 322 V HA 0.016 4.136 4.120 -0.001 0.000 0.241 322 V C 1.518 177.542 176.094 -0.115 0.000 1.041 322 V CA 1.159 63.411 62.300 -0.081 0.000 1.057 322 V CB -0.511 31.265 31.823 -0.080 0.000 0.711 322 V HN 0.428 nan 8.190 nan 0.000 0.468 323 R N 0.204 120.582 120.500 -0.203 0.000 2.198 323 R HA 0.301 4.640 4.340 -0.001 0.000 0.339 323 R C 0.211 176.344 176.300 -0.279 0.000 1.020 323 R CA 0.214 56.129 56.100 -0.308 0.000 0.864 323 R CB 0.964 30.909 30.300 -0.592 0.000 1.105 323 R HN 0.237 nan 8.270 nan 0.000 0.463 324 T N 2.238 116.700 114.554 -0.154 0.000 3.040 324 T HA 0.061 4.410 4.350 -0.001 0.000 0.266 324 T C -0.218 174.464 174.700 -0.029 0.000 1.005 324 T CA -0.188 61.867 62.100 -0.074 0.000 0.906 324 T CB -0.028 68.833 68.868 -0.012 0.000 1.082 324 T HN 0.458 nan 8.240 nan 0.000 0.531 325 N N 0.898 119.582 118.700 -0.028 0.000 2.485 325 N HA 0.268 5.007 4.740 -0.001 0.000 0.243 325 N C -0.076 175.522 175.510 0.146 0.000 0.987 325 N CA -0.751 52.346 53.050 0.079 0.000 0.940 325 N CB 0.107 38.633 38.487 0.065 0.000 1.122 325 N HN -0.060 nan 8.380 nan 0.000 0.509 326 F N 1.201 121.260 119.950 0.182 0.000 2.722 326 F HA 0.000 4.527 4.527 -0.001 0.000 0.298 326 F C 1.203 177.071 175.800 0.115 0.000 1.175 326 F CA 0.370 58.440 58.000 0.117 0.000 1.462 326 F CB 0.136 39.090 39.000 -0.077 0.000 1.111 326 F HN 0.521 nan 8.300 nan 0.000 0.592 327 D N -0.003 120.543 120.400 0.243 0.000 2.218 327 D HA -0.134 4.506 4.640 -0.001 0.000 0.204 327 D C 2.192 178.599 176.300 0.179 0.000 0.976 327 D CA 1.156 55.261 54.000 0.176 0.000 0.853 327 D CB -0.228 40.648 40.800 0.126 0.000 0.939 327 D HN 0.251 nan 8.370 nan 0.000 0.481 328 A N -0.725 122.242 122.820 0.245 0.000 2.251 328 A HA 0.070 4.389 4.320 -0.001 0.000 0.209 328 A C 1.622 179.355 177.584 0.248 0.000 1.187 328 A CA -0.229 51.955 52.037 0.244 0.000 0.823 328 A CB -0.603 18.565 19.000 0.280 0.000 0.846 328 A HN 0.119 nan 8.150 nan 0.000 0.486 329 F N 2.133 122.059 119.950 -0.040 0.000 2.069 329 F HA -0.088 4.439 4.527 -0.001 0.000 0.298 329 F C -0.458 175.259 175.800 -0.138 0.000 1.113 329 F CA 2.084 59.876 58.000 -0.348 0.000 1.214 329 F CB -0.502 38.278 39.000 -0.366 0.000 0.978 329 F HN 0.209 nan 8.300 nan 0.000 0.474 330 P HA -0.092 nan 4.420 nan 0.000 0.230 330 P C 0.348 177.598 177.300 -0.083 0.000 1.158 330 P CA 1.391 64.451 63.100 -0.066 0.000 0.769 330 P CB -0.054 31.631 31.700 -0.025 0.000 0.807 331 D N -0.597 119.778 120.400 -0.042 0.000 2.354 331 D HA 0.011 4.650 4.640 -0.001 0.000 0.209 331 D C 1.612 177.887 176.300 -0.042 0.000 1.015 331 D CA 0.571 54.556 54.000 -0.025 0.000 0.867 331 D CB 0.180 40.986 40.800 0.010 0.000 0.933 331 D HN 0.132 nan 8.370 nan 0.000 0.520 332 K N 0.160 120.513 120.400 -0.078 0.000 2.360 332 K HA 0.209 4.529 4.320 -0.001 0.000 0.196 332 K C 0.157 176.645 176.600 -0.186 0.000 1.049 332 K CA 0.129 56.376 56.287 -0.067 0.000 1.049 332 K CB 2.026 34.605 32.500 0.133 0.000 0.881 332 K HN -0.033 nan 8.250 nan 0.000 0.542 333 V N 0.776 120.472 119.914 -0.363 0.000 2.789 333 V HA 0.653 4.772 4.120 -0.001 0.000 0.311 333 V C -0.951 175.012 176.094 -0.217 0.000 1.073 333 V CA -1.292 60.804 62.300 -0.341 0.000 0.921 333 V CB 1.904 33.253 31.823 -0.789 0.000 1.009 333 V HN 0.114 nan 8.190 nan 0.000 0.426 334 A N 4.913 127.665 122.820 -0.113 0.000 2.386 334 A HA 0.970 5.290 4.320 -0.001 0.000 0.311 334 A C -1.120 176.443 177.584 -0.035 0.000 1.068 334 A CA -0.557 51.427 52.037 -0.089 0.000 0.743 334 A CB 1.308 20.151 19.000 -0.262 0.000 1.258 334 A HN 0.752 nan 8.150 nan 0.000 0.429 335 I N 1.161 121.750 120.570 0.033 0.000 2.499 335 I HA 0.322 4.492 4.170 -0.001 0.000 0.288 335 I C -0.733 175.445 176.117 0.101 0.000 1.048 335 I CA -0.599 60.741 61.300 0.067 0.000 1.062 335 I CB 2.297 40.322 38.000 0.041 0.000 1.238 335 I HN 0.651 nan 8.210 nan 0.000 0.426 336 Q N 6.536 126.398 119.800 0.104 0.000 2.372 336 Q HA 0.460 4.800 4.340 -0.001 0.000 0.259 336 Q C -1.250 174.765 176.000 0.025 0.000 0.993 336 Q CA -0.222 55.675 55.803 0.157 0.000 0.854 336 Q CB 1.204 30.115 28.738 0.289 0.000 1.231 336 Q HN 0.586 nan 8.270 nan 0.000 0.462 337 L N 4.068 125.336 121.223 0.074 0.000 2.385 337 L HA 0.284 4.623 4.340 -0.001 0.000 0.285 337 L C 0.024 176.959 176.870 0.108 0.000 1.125 337 L CA -0.481 54.400 54.840 0.068 0.000 0.890 337 L CB 0.055 42.161 42.059 0.079 0.000 1.251 337 L HN 0.574 nan 8.230 nan 0.000 0.445 338 N N 4.165 122.860 118.700 -0.009 0.000 2.402 338 N HA 0.073 4.813 4.740 -0.001 0.000 0.252 338 N C -0.149 175.414 175.510 0.089 0.000 1.118 338 N CA 0.347 53.420 53.050 0.037 0.000 0.945 338 N CB 0.255 38.615 38.487 -0.212 0.000 1.147 338 N HN 0.518 nan 8.380 nan 0.000 0.495 339 D N 0.206 120.757 120.400 0.251 0.000 4.658 339 D HA -0.210 4.430 4.640 -0.001 0.000 0.304 339 D C 0.109 176.510 176.300 0.168 0.000 2.363 339 D CA 1.411 55.547 54.000 0.225 0.000 1.179 339 D CB -0.398 40.294 40.800 -0.182 0.000 1.091 339 D HN 0.576 nan 8.370 nan 0.000 1.274 340 T N -2.157 112.397 114.554 0.000 0.000 3.148 340 T HA 0.076 4.425 4.350 -0.001 0.000 0.253 340 T C 1.505 176.258 174.700 0.088 0.000 1.134 340 T CA 1.185 63.262 62.100 -0.039 0.000 1.051 340 T CB -0.439 68.418 68.868 -0.017 0.000 0.959 340 T HN 0.443 nan 8.240 nan 0.000 0.525 341 H N 2.084 121.233 119.070 0.132 0.000 2.423 341 H HA 0.028 4.583 4.556 -0.001 0.000 0.297 341 H C -0.925 174.481 175.328 0.130 0.000 1.075 341 H CA 0.487 56.623 56.048 0.147 0.000 1.342 341 H CB -0.596 29.248 29.762 0.137 0.000 1.395 341 H HN 0.426 nan 8.280 nan 0.000 0.530 342 P HA 0.061 nan 4.420 nan 0.000 0.263 342 P C 0.889 178.227 177.300 0.062 0.000 1.448 342 P CA 0.249 63.421 63.100 0.121 0.000 0.983 342 P CB 0.526 32.286 31.700 0.100 0.000 1.481 343 S N -0.043 115.683 115.700 0.044 0.000 2.441 343 S HA -0.190 4.280 4.470 -0.001 0.000 0.242 343 S C 1.655 176.256 174.600 0.001 0.000 1.018 343 S CA 1.115 59.304 58.200 -0.018 0.000 0.988 343 S CB -1.524 61.651 63.200 -0.041 0.000 0.778 343 S HN 0.205 nan 8.310 nan 0.000 0.498 344 L N 0.819 122.058 121.223 0.026 0.000 2.633 344 L HA 0.049 4.388 4.340 -0.001 0.000 0.235 344 L C 2.749 179.624 176.870 0.008 0.000 1.163 344 L CA 0.539 55.383 54.840 0.007 0.000 0.859 344 L CB -0.669 41.392 42.059 0.004 0.000 0.973 344 L HN 0.479 nan 8.230 nan 0.000 0.451 345 A N 0.301 123.118 122.820 -0.005 0.000 1.969 345 A HA -0.128 4.192 4.320 -0.001 0.000 0.218 345 A C 2.142 179.714 177.584 -0.019 0.000 1.169 345 A CA 1.132 53.153 52.037 -0.026 0.000 0.635 345 A CB -0.293 18.687 19.000 -0.033 0.000 0.810 345 A HN 0.363 nan 8.150 nan 0.000 0.445 346 I N -0.127 120.436 120.570 -0.011 0.000 2.162 346 I HA -0.122 4.047 4.170 -0.001 0.000 0.238 346 I C -0.585 175.561 176.117 0.049 0.000 1.076 346 I CA 1.161 62.460 61.300 -0.002 0.000 1.353 346 I CB -1.164 36.832 38.000 -0.007 0.000 1.063 346 I HN 0.169 nan 8.210 nan 0.000 0.408 347 P HA -0.185 nan 4.420 nan 0.000 0.218 347 P C 1.315 178.714 177.300 0.164 0.000 1.149 347 P CA 1.302 64.478 63.100 0.127 0.000 0.817 347 P CB 0.065 31.867 31.700 0.170 0.000 0.785 348 E N -0.278 120.027 120.200 0.175 0.000 2.046 348 E HA -0.146 4.203 4.350 -0.001 0.000 0.190 348 E C 1.802 178.418 176.600 0.027 0.000 0.982 348 E CA 0.773 57.294 56.400 0.201 0.000 0.800 348 E CB -1.251 28.540 29.700 0.152 0.000 0.756 348 E HN -0.022 nan 8.360 nan 0.000 0.449 349 L N 0.109 121.308 121.223 -0.040 0.000 2.012 349 L HA -0.168 4.172 4.340 -0.001 0.000 0.210 349 L C 2.166 178.936 176.870 -0.166 0.000 1.073 349 L CA 1.932 56.701 54.840 -0.118 0.000 0.748 349 L CB -0.661 41.332 42.059 -0.110 0.000 0.891 349 L HN 0.233 nan 8.230 nan 0.000 0.431 350 M N -0.761 118.754 119.600 -0.142 0.000 2.088 350 M HA -0.282 4.198 4.480 -0.001 0.000 0.256 350 M C 2.452 178.649 176.300 -0.171 0.000 1.071 350 M CA 1.748 56.923 55.300 -0.208 0.000 1.097 350 M CB -1.407 31.056 32.600 -0.228 0.000 1.315 350 M HN 0.346 nan 8.290 nan 0.000 0.406 351 R N -0.027 120.405 120.500 -0.114 0.000 2.080 351 R HA -0.141 4.198 4.340 -0.001 0.000 0.236 351 R C 2.158 178.403 176.300 -0.093 0.000 1.137 351 R CA 1.773 57.809 56.100 -0.106 0.000 0.943 351 R CB -0.346 29.862 30.300 -0.153 0.000 0.846 351 R HN 0.247 nan 8.270 nan 0.000 0.431 352 V N 1.445 121.295 119.914 -0.106 0.000 2.295 352 V HA -0.258 3.862 4.120 -0.001 0.000 0.246 352 V C 2.380 178.345 176.094 -0.215 0.000 1.049 352 V CA 1.695 63.915 62.300 -0.134 0.000 1.024 352 V CB -0.325 31.405 31.823 -0.154 0.000 0.648 352 V HN 0.337 nan 8.190 nan 0.000 0.447 353 L N -0.973 120.065 121.223 -0.308 0.000 2.095 353 L HA -0.056 4.283 4.340 -0.001 0.000 0.204 353 L C 2.416 179.133 176.870 -0.255 0.000 1.080 353 L CA 0.854 55.438 54.840 -0.427 0.000 0.759 353 L CB -0.628 41.107 42.059 -0.540 0.000 0.914 353 L HN 0.186 nan 8.230 nan 0.000 0.439 354 V N -0.133 119.685 119.914 -0.160 0.000 2.283 354 V HA -0.211 3.909 4.120 -0.001 0.000 0.243 354 V C 2.010 178.095 176.094 -0.015 0.000 1.039 354 V CA 1.806 64.079 62.300 -0.045 0.000 1.016 354 V CB -0.360 31.498 31.823 0.059 0.000 0.650 354 V HN 0.376 nan 8.190 nan 0.000 0.449 355 D N -0.239 120.150 120.400 -0.019 0.000 2.144 355 D HA 0.032 4.671 4.640 -0.001 0.000 0.207 355 D C 2.162 178.456 176.300 -0.009 0.000 0.970 355 D CA 1.009 55.011 54.000 0.004 0.000 0.853 355 D CB -0.105 40.703 40.800 0.014 0.000 1.007 355 D HN 0.264 nan 8.370 nan 0.000 0.469 356 L N 0.849 122.052 121.223 -0.034 0.000 2.022 356 L HA -0.016 4.323 4.340 -0.001 0.000 0.204 356 L C 2.004 178.854 176.870 -0.032 0.000 1.076 356 L CA 0.835 55.660 54.840 -0.025 0.000 0.749 356 L CB -0.365 41.675 42.059 -0.031 0.000 0.903 356 L HN -0.107 nan 8.230 nan 0.000 0.439 357 E N 0.499 120.649 120.200 -0.084 0.000 2.478 357 E HA -0.069 4.281 4.350 -0.001 0.000 0.198 357 E C 0.075 176.638 176.600 -0.062 0.000 1.046 357 E CA 0.055 56.411 56.400 -0.074 0.000 0.870 357 E CB -0.051 29.501 29.700 -0.247 0.000 0.818 357 E HN 0.222 nan 8.360 nan 0.000 0.527 358 R N 0.236 120.701 120.500 -0.059 0.000 3.267 358 R HA -0.177 4.163 4.340 -0.001 0.000 0.254 358 R C -0.165 176.117 176.300 -0.031 0.000 0.993 358 R CA 0.402 56.488 56.100 -0.024 0.000 0.670 358 R CB -2.482 27.822 30.300 0.007 0.000 1.125 358 R HN 0.230 nan 8.270 nan 0.000 0.434 359 L N 0.675 121.850 121.223 -0.080 0.000 2.431 359 L HA 0.293 4.632 4.340 -0.001 0.000 0.260 359 L C 1.270 178.137 176.870 -0.004 0.000 1.098 359 L CA -0.617 54.184 54.840 -0.064 0.000 0.800 359 L CB 0.610 42.575 42.059 -0.156 0.000 1.210 359 L HN 0.173 nan 8.230 nan 0.000 0.465 360 D N -0.757 119.662 120.400 0.032 0.000 2.264 360 D HA -0.069 4.571 4.640 -0.001 0.000 0.249 360 D C 0.879 177.258 176.300 0.133 0.000 1.070 360 D CA -0.596 53.458 54.000 0.091 0.000 0.912 360 D CB 1.350 42.203 40.800 0.089 0.000 1.193 360 D HN 0.645 nan 8.370 nan 0.000 0.427 361 W N 2.842 124.134 121.300 -0.014 0.000 2.269 361 W HA -0.301 4.359 4.660 -0.001 0.000 0.336 361 W C 0.965 177.510 176.519 0.042 0.000 1.333 361 W CA 2.208 59.550 57.345 -0.005 0.000 1.299 361 W CB -0.231 29.207 29.460 -0.038 0.000 1.126 361 W HN 0.522 nan 8.180 nan 0.000 0.474 362 D N -0.008 120.571 120.400 0.299 0.000 2.182 362 D HA -0.204 4.435 4.640 -0.001 0.000 0.201 362 D C 1.873 178.258 176.300 0.142 0.000 0.986 362 D CA 1.947 56.081 54.000 0.223 0.000 0.847 362 D CB -0.281 40.635 40.800 0.193 0.000 0.942 362 D HN 0.129 nan 8.370 nan 0.000 0.467 363 K N 1.131 121.582 120.400 0.085 0.000 2.186 363 K HA 0.100 4.420 4.320 -0.001 0.000 0.202 363 K C 1.758 178.351 176.600 -0.012 0.000 1.052 363 K CA 0.968 57.282 56.287 0.045 0.000 0.965 363 K CB -0.278 32.244 32.500 0.037 0.000 0.746 363 K HN -0.041 nan 8.250 nan 0.000 0.457 364 A N 0.341 123.120 122.820 -0.068 0.000 1.969 364 A HA -0.130 4.189 4.320 -0.001 0.000 0.218 364 A C 2.155 179.667 177.584 -0.121 0.000 1.169 364 A CA 1.132 53.068 52.037 -0.168 0.000 0.635 364 A CB -0.995 17.858 19.000 -0.246 0.000 0.810 364 A HN 0.648 nan 8.150 nan 0.000 0.445 365 W N 0.489 121.587 121.300 -0.337 0.000 2.408 365 W HA -0.121 4.538 4.660 -0.001 0.000 0.311 365 W C 2.083 178.526 176.519 -0.126 0.000 1.190 365 W CA 1.437 58.613 57.345 -0.282 0.000 1.321 365 W CB -0.043 29.269 29.460 -0.246 0.000 1.143 365 W HN 0.399 nan 8.180 nan 0.000 0.501 366 E N 0.461 120.690 120.200 0.049 0.000 2.086 366 E HA -0.236 4.114 4.350 -0.001 0.000 0.200 366 E C 1.991 178.538 176.600 -0.089 0.000 1.012 366 E CA 1.942 58.328 56.400 -0.023 0.000 0.812 366 E CB -0.589 29.137 29.700 0.043 0.000 0.743 366 E HN 0.158 nan 8.360 nan 0.000 0.453 367 V N 0.545 120.419 119.914 -0.068 0.000 2.270 367 V HA -0.248 3.871 4.120 -0.001 0.000 0.245 367 V C 2.494 178.534 176.094 -0.089 0.000 1.043 367 V CA 2.172 64.445 62.300 -0.045 0.000 1.014 367 V CB -0.940 30.856 31.823 -0.044 0.000 0.645 367 V HN 0.300 nan 8.190 nan 0.000 0.447 368 T N 0.365 114.811 114.554 -0.180 0.000 2.607 368 T HA -0.223 4.126 4.350 -0.001 0.000 0.267 368 T C 1.937 176.470 174.700 -0.279 0.000 1.049 368 T CA 1.978 63.944 62.100 -0.222 0.000 1.162 368 T CB -0.449 68.241 68.868 -0.297 0.000 0.863 368 T HN 0.267 nan 8.240 nan 0.000 0.424 369 V N 1.547 121.159 119.914 -0.503 0.000 2.332 369 V HA -0.204 3.916 4.120 -0.001 0.000 0.248 369 V C 2.409 178.434 176.094 -0.115 0.000 1.055 369 V CA 1.655 63.705 62.300 -0.415 0.000 1.038 369 V CB -0.564 30.896 31.823 -0.605 0.000 0.651 369 V HN 0.489 nan 8.190 nan 0.000 0.450 370 K N -0.244 120.067 120.400 -0.148 0.000 2.283 370 K HA -0.110 4.210 4.320 -0.001 0.000 0.202 370 K C 2.055 178.577 176.600 -0.131 0.000 1.048 370 K CA 1.708 57.883 56.287 -0.188 0.000 0.948 370 K CB -0.216 32.191 32.500 -0.155 0.000 0.742 370 K HN 0.592 nan 8.250 nan 0.000 0.458 371 T N -0.041 114.511 114.554 -0.004 0.000 2.983 371 T HA 0.024 4.373 4.350 -0.001 0.000 0.250 371 T C 1.209 175.999 174.700 0.150 0.000 1.037 371 T CA 0.291 62.420 62.100 0.049 0.000 1.142 371 T CB -0.041 68.858 68.868 0.052 0.000 0.876 371 T HN 0.134 nan 8.240 nan 0.000 0.455 372 C N 1.953 121.325 119.300 0.120 0.000 2.382 372 C HA 0.898 5.358 4.460 -0.001 0.000 0.363 372 C C 0.581 175.610 174.990 0.065 0.000 1.213 372 C CA -1.288 57.782 59.018 0.088 0.000 2.363 372 C CB 0.262 27.997 27.740 -0.008 0.000 2.397 372 C HN 0.650 nan 8.230 nan 0.000 0.573 373 A N 0.930 123.770 122.820 0.034 0.000 2.455 373 A HA 0.659 4.979 4.320 -0.001 0.000 0.300 373 A C -1.526 176.104 177.584 0.075 0.000 1.040 373 A CA -0.327 51.677 52.037 -0.056 0.000 0.697 373 A CB 0.894 19.882 19.000 -0.021 0.000 1.265 373 A HN 0.829 nan 8.150 nan 0.000 0.407 374 Y N 1.373 121.595 120.300 -0.129 0.000 2.342 374 Y HA 0.666 5.216 4.550 -0.001 0.000 0.334 374 Y C -0.224 175.645 175.900 -0.052 0.000 1.067 374 Y CA -0.728 57.314 58.100 -0.097 0.000 1.128 374 Y CB 1.670 40.023 38.460 -0.178 0.000 1.200 374 Y HN 0.543 nan 8.280 nan 0.000 0.464 375 T N 6.994 121.491 114.554 -0.096 0.000 2.788 375 T HA 0.177 4.526 4.350 -0.001 0.000 0.296 375 T C -0.571 173.788 174.700 -0.569 0.000 1.009 375 T CA -0.826 61.106 62.100 -0.279 0.000 0.949 375 T CB 0.062 68.935 68.868 0.008 0.000 0.946 375 T HN 0.602 nan 8.240 nan 0.000 0.453 376 N N 2.214 120.467 118.700 -0.745 0.000 2.419 376 N HA 0.086 4.826 4.740 -0.001 0.000 0.264 376 N C 0.425 175.867 175.510 -0.114 0.000 1.031 376 N CA -0.165 52.623 53.050 -0.437 0.000 0.951 376 N CB 0.608 38.936 38.487 -0.266 0.000 1.101 376 N HN 0.648 nan 8.380 nan 0.000 0.488 377 H N 1.310 120.411 119.070 0.051 0.000 2.648 377 H HA 0.025 4.580 4.556 -0.001 0.000 0.265 377 H C 0.730 175.996 175.328 -0.102 0.000 0.961 377 H CA 0.093 56.166 56.048 0.042 0.000 1.185 377 H CB 0.811 30.580 29.762 0.011 0.000 1.449 377 H HN 0.484 nan 8.280 nan 0.000 0.523 378 T N -0.216 114.329 114.554 -0.016 0.000 2.889 378 T HA 0.180 4.530 4.350 -0.001 0.000 0.340 378 T C 1.331 175.744 174.700 -0.478 0.000 1.145 378 T CA 0.731 62.743 62.100 -0.148 0.000 0.986 378 T CB 0.867 69.712 68.868 -0.039 0.000 1.461 378 T HN 0.138 nan 8.240 nan 0.000 0.541 379 V N -0.765 118.967 119.914 -0.305 0.000 3.071 379 V HA 0.430 4.549 4.120 -0.001 0.000 0.244 379 V C -0.220 175.793 176.094 -0.135 0.000 1.644 379 V CA -0.201 61.957 62.300 -0.237 0.000 1.090 379 V CB -0.093 31.579 31.823 -0.252 0.000 0.981 379 V HN 0.619 nan 8.190 nan 0.000 0.422 380 L N 2.444 123.580 121.223 -0.146 0.000 2.331 380 L HA 0.375 4.715 4.340 -0.001 0.000 0.278 380 L C -1.600 175.214 176.870 -0.092 0.000 1.106 380 L CA -1.216 53.553 54.840 -0.118 0.000 0.824 380 L CB 1.280 43.257 42.059 -0.136 0.000 1.142 380 L HN 0.122 nan 8.230 nan 0.000 0.443 381 P HA -0.117 nan 4.420 nan 0.000 0.236 381 P C -0.176 177.097 177.300 -0.045 0.000 1.172 381 P CA 0.977 64.034 63.100 -0.072 0.000 0.759 381 P CB 0.129 31.791 31.700 -0.063 0.000 0.843 382 E N -1.465 118.706 120.200 -0.048 0.000 3.544 382 E HA 0.510 4.859 4.350 -0.001 0.000 0.264 382 E C -0.042 176.529 176.600 -0.047 0.000 1.225 382 E CA -0.681 55.694 56.400 -0.042 0.000 1.045 382 E CB 0.266 29.944 29.700 -0.036 0.000 1.338 382 E HN 0.008 nan 8.360 nan 0.000 0.395 383 A N 1.278 124.076 122.820 -0.038 0.000 2.680 383 A HA 0.259 4.578 4.320 -0.001 0.000 0.183 383 A C 0.333 177.919 177.584 0.004 0.000 1.506 383 A CA -0.218 51.803 52.037 -0.026 0.000 1.119 383 A CB 0.150 19.126 19.000 -0.041 0.000 1.424 383 A HN 0.276 nan 8.150 nan 0.000 0.540 384 L N 1.468 122.696 121.223 0.007 0.000 2.417 384 L HA 0.337 4.676 4.340 -0.001 0.000 0.268 384 L C 0.158 177.011 176.870 -0.029 0.000 1.158 384 L CA -0.278 54.585 54.840 0.040 0.000 0.819 384 L CB 0.563 42.666 42.059 0.075 0.000 1.112 384 L HN 0.259 nan 8.230 nan 0.000 0.458 385 E N 2.153 122.328 120.200 -0.040 0.000 2.283 385 E HA 0.431 4.781 4.350 -0.001 0.000 0.278 385 E C -0.808 175.639 176.600 -0.255 0.000 1.027 385 E CA -0.459 55.822 56.400 -0.199 0.000 0.843 385 E CB 1.198 30.807 29.700 -0.150 0.000 1.062 385 E HN 0.396 nan 8.360 nan 0.000 0.401 386 R N 2.549 122.788 120.500 -0.436 0.000 2.574 386 R HA 0.341 4.681 4.340 -0.001 0.000 0.288 386 R C -1.521 174.502 176.300 -0.461 0.000 1.004 386 R CA -0.628 55.286 56.100 -0.309 0.000 0.895 386 R CB 1.430 31.625 30.300 -0.175 0.000 1.191 386 R HN 0.501 nan 8.270 nan 0.000 0.444 387 W N 4.550 125.834 121.300 -0.028 0.000 2.600 387 W HA 0.354 5.014 4.660 -0.001 0.000 0.325 387 W C -1.968 174.507 176.519 -0.073 0.000 1.034 387 W CA -2.304 55.009 57.345 -0.052 0.000 1.226 387 W CB 1.771 31.196 29.460 -0.058 0.000 1.379 387 W HN 0.302 nan 8.180 nan 0.000 0.466 388 P HA -0.149 nan 4.420 nan 0.000 0.259 388 P C 0.718 177.999 177.300 -0.032 0.000 1.163 388 P CA 0.698 63.792 63.100 -0.010 0.000 0.760 388 P CB 0.932 32.486 31.700 -0.244 0.000 0.762 389 V N 2.189 122.131 119.914 0.046 0.000 3.141 389 V HA -0.213 3.907 4.120 -0.001 0.000 0.265 389 V C 2.111 178.236 176.094 0.052 0.000 1.126 389 V CA 1.866 64.191 62.300 0.041 0.000 1.141 389 V CB -1.971 29.919 31.823 0.111 0.000 0.743 389 V HN 0.628 nan 8.190 nan 0.000 0.492 390 H N -0.145 118.970 119.070 0.074 0.000 2.363 390 H HA -0.042 4.514 4.556 -0.001 0.000 0.301 390 H C 1.890 177.249 175.328 0.051 0.000 1.074 390 H CA 1.910 57.997 56.048 0.064 0.000 1.354 390 H CB -0.724 29.080 29.762 0.069 0.000 1.397 390 H HN 0.406 nan 8.280 nan 0.000 0.516 391 L N 0.566 121.613 121.223 -0.293 0.000 2.046 391 L HA -0.031 4.308 4.340 -0.001 0.000 0.208 391 L C 2.079 178.879 176.870 -0.118 0.000 1.077 391 L CA 1.443 56.176 54.840 -0.180 0.000 0.747 391 L CB -0.693 41.200 42.059 -0.278 0.000 0.896 391 L HN 0.451 nan 8.230 nan 0.000 0.432 392 L N -0.356 120.789 121.223 -0.131 0.000 2.109 392 L HA -0.133 4.206 4.340 -0.001 0.000 0.207 392 L C 2.551 179.350 176.870 -0.119 0.000 1.086 392 L CA 1.310 56.054 54.840 -0.159 0.000 0.760 392 L CB -0.748 41.213 42.059 -0.163 0.000 0.910 392 L HN 0.442 nan 8.230 nan 0.000 0.437 393 E N -0.603 119.562 120.200 -0.058 0.000 2.204 393 E HA -0.153 4.196 4.350 -0.001 0.000 0.194 393 E C 1.679 178.289 176.600 0.017 0.000 0.989 393 E CA 1.597 57.979 56.400 -0.030 0.000 0.824 393 E CB -0.371 29.344 29.700 0.024 0.000 0.756 393 E HN 0.358 nan 8.360 nan 0.000 0.477 394 T N 1.247 115.831 114.554 0.051 0.000 2.852 394 T HA -0.023 4.327 4.350 -0.001 0.000 0.256 394 T C 1.698 176.452 174.700 0.089 0.000 1.038 394 T CA 0.754 62.926 62.100 0.119 0.000 1.141 394 T CB -0.096 68.874 68.868 0.169 0.000 0.869 394 T HN 0.059 nan 8.240 nan 0.000 0.439 395 L N 0.002 121.197 121.223 -0.046 0.000 2.209 395 L HA 0.387 4.727 4.340 -0.001 0.000 0.207 395 L C 0.458 177.237 176.870 -0.151 0.000 1.094 395 L CA 1.516 56.220 54.840 -0.226 0.000 0.790 395 L CB 0.030 41.931 42.059 -0.264 0.000 0.932 395 L HN 0.159 nan 8.230 nan 0.000 0.447 396 L N 1.133 122.254 121.223 -0.171 0.000 2.625 396 L HA 0.296 4.635 4.340 -0.001 0.000 0.255 396 L C -1.596 175.085 176.870 -0.315 0.000 1.493 396 L CA -0.868 53.810 54.840 -0.270 0.000 0.796 396 L CB 0.840 42.662 42.059 -0.395 0.000 1.064 396 L HN -0.046 nan 8.230 nan 0.000 0.516 397 P HA -0.223 nan 4.420 nan 0.000 0.217 397 P C 1.358 178.446 177.300 -0.354 0.000 1.148 397 P CA 1.140 64.101 63.100 -0.233 0.000 0.828 397 P CB 0.356 31.996 31.700 -0.099 0.000 0.783 398 R N -0.454 119.642 120.500 -0.673 0.000 2.100 398 R HA -0.062 4.278 4.340 -0.001 0.000 0.220 398 R C 2.330 178.273 176.300 -0.594 0.000 1.091 398 R CA 1.278 56.971 56.100 -0.678 0.000 0.986 398 R CB -1.156 28.499 30.300 -1.075 0.000 0.888 398 R HN 0.324 nan 8.270 nan 0.000 0.444 399 H N -0.121 118.635 119.070 -0.524 0.000 2.389 399 H HA -0.098 4.458 4.556 -0.001 0.000 0.299 399 H C 1.722 176.884 175.328 -0.276 0.000 1.081 399 H CA 1.498 57.331 56.048 -0.357 0.000 1.345 399 H CB -0.000 29.522 29.762 -0.399 0.000 1.393 399 H HN 0.022 nan 8.280 nan 0.000 0.520 400 L N 0.792 121.880 121.223 -0.225 0.000 2.083 400 L HA -0.184 4.156 4.340 -0.001 0.000 0.209 400 L C 1.978 178.652 176.870 -0.325 0.000 1.083 400 L CA 1.579 56.223 54.840 -0.327 0.000 0.752 400 L CB -0.414 41.422 42.059 -0.370 0.000 0.899 400 L HN 0.262 nan 8.230 nan 0.000 0.433 401 Q N -0.636 119.050 119.800 -0.190 0.000 2.096 401 Q HA -0.221 4.119 4.340 -0.001 0.000 0.204 401 Q C 2.295 178.293 176.000 -0.002 0.000 0.982 401 Q CA 2.116 57.886 55.803 -0.056 0.000 0.850 401 Q CB -0.225 28.497 28.738 -0.026 0.000 0.901 401 Q HN 0.579 nan 8.270 nan 0.000 0.422 402 I N 0.228 120.792 120.570 -0.009 0.000 2.315 402 I HA -0.260 3.910 4.170 -0.001 0.000 0.248 402 I C 2.133 178.338 176.117 0.147 0.000 1.117 402 I CA 0.944 62.332 61.300 0.148 0.000 1.404 402 I CB -0.148 37.908 38.000 0.094 0.000 1.071 402 I HN 0.221 nan 8.210 nan 0.000 0.419 403 I N -0.366 120.224 120.570 0.034 0.000 2.252 403 I HA -0.312 3.858 4.170 -0.001 0.000 0.245 403 I C 2.457 178.662 176.117 0.147 0.000 1.102 403 I CA 1.307 62.636 61.300 0.050 0.000 1.385 403 I CB -0.339 37.631 38.000 -0.050 0.000 1.064 403 I HN 0.160 nan 8.210 nan 0.000 0.414 404 Y N 0.852 121.172 120.300 0.033 0.000 2.181 404 Y HA -0.275 4.275 4.550 -0.001 0.000 0.288 404 Y C 2.613 178.505 175.900 -0.013 0.000 1.146 404 Y CA 1.590 59.698 58.100 0.013 0.000 1.164 404 Y CB -0.854 37.599 38.460 -0.012 0.000 0.982 404 Y HN 0.251 nan 8.280 nan 0.000 0.515 405 E N 0.175 120.438 120.200 0.105 0.000 2.208 405 E HA -0.099 4.251 4.350 -0.001 0.000 0.193 405 E C 2.031 178.637 176.600 0.010 0.000 0.988 405 E CA 0.811 57.162 56.400 -0.082 0.000 0.828 405 E CB -0.430 29.020 29.700 -0.416 0.000 0.763 405 E HN 0.451 nan 8.360 nan 0.000 0.478 406 I N 0.694 121.354 120.570 0.150 0.000 2.179 406 I HA -0.285 3.885 4.170 -0.001 0.000 0.242 406 I C 2.400 178.570 176.117 0.090 0.000 1.088 406 I CA 1.609 62.927 61.300 0.029 0.000 1.357 406 I CB -0.419 37.575 38.000 -0.011 0.000 1.051 406 I HN 0.250 nan 8.210 nan 0.000 0.409 407 N N 0.409 119.205 118.700 0.160 0.000 2.084 407 N HA -0.274 4.466 4.740 -0.001 0.000 0.190 407 N C 1.998 177.620 175.510 0.186 0.000 1.030 407 N CA 1.204 54.391 53.050 0.228 0.000 0.849 407 N CB -0.045 38.585 38.487 0.238 0.000 1.012 407 N HN 0.266 nan 8.380 nan 0.000 0.423 408 Q N 0.057 119.912 119.800 0.092 0.000 2.135 408 Q HA -0.150 4.189 4.340 -0.001 0.000 0.204 408 Q C 1.875 177.894 176.000 0.033 0.000 0.981 408 Q CA 1.351 57.172 55.803 0.029 0.000 0.856 408 Q CB 0.092 28.805 28.738 -0.041 0.000 0.902 408 Q HN 0.432 nan 8.270 nan 0.000 0.425 409 R N -0.969 119.552 120.500 0.035 0.000 2.119 409 R HA -0.074 4.266 4.340 -0.001 0.000 0.222 409 R C 2.075 178.454 176.300 0.131 0.000 1.088 409 R CA 0.837 56.962 56.100 0.041 0.000 0.984 409 R CB -0.222 30.081 30.300 0.005 0.000 0.884 409 R HN 0.230 nan 8.270 nan 0.000 0.447 410 F N 1.454 121.435 119.950 0.052 0.000 2.084 410 F HA -0.117 4.409 4.527 -0.001 0.000 0.296 410 F C 1.783 177.653 175.800 0.116 0.000 1.111 410 F CA 1.131 59.205 58.000 0.124 0.000 1.224 410 F CB -0.299 38.810 39.000 0.182 0.000 0.991 410 F HN -0.139 nan 8.300 nan 0.000 0.471 411 L N 0.528 121.813 121.223 0.103 0.000 2.447 411 L HA -0.204 4.136 4.340 -0.001 0.000 0.225 411 L C 1.867 178.714 176.870 -0.038 0.000 1.148 411 L CA 1.454 56.297 54.840 0.006 0.000 0.808 411 L CB -1.153 40.952 42.059 0.077 0.000 0.928 411 L HN 0.257 nan 8.230 nan 0.000 0.448 412 N N -1.383 117.300 118.700 -0.029 0.000 2.368 412 N HA -0.033 4.707 4.740 -0.001 0.000 0.176 412 N C 1.719 177.198 175.510 -0.053 0.000 1.021 412 N CA 0.211 53.242 53.050 -0.031 0.000 0.888 412 N CB 0.243 38.722 38.487 -0.014 0.000 0.995 412 N HN 0.327 nan 8.380 nan 0.000 0.437 413 R N 0.763 121.212 120.500 -0.084 0.000 2.066 413 R HA -0.053 4.286 4.340 -0.001 0.000 0.232 413 R C 2.367 178.586 176.300 -0.134 0.000 1.131 413 R CA 0.920 56.964 56.100 -0.094 0.000 0.955 413 R CB -0.658 29.589 30.300 -0.088 0.000 0.851 413 R HN 0.062 nan 8.270 nan 0.000 0.432 414 V N 1.045 120.836 119.914 -0.205 0.000 2.427 414 V HA -0.139 3.980 4.120 -0.001 0.000 0.248 414 V C 2.153 178.275 176.094 0.048 0.000 1.051 414 V CA 2.011 64.284 62.300 -0.046 0.000 1.048 414 V CB -0.410 31.333 31.823 -0.134 0.000 0.666 414 V HN 0.368 nan 8.190 nan 0.000 0.456 415 A N 0.145 122.961 122.820 -0.008 0.000 1.940 415 A HA -0.066 4.254 4.320 -0.001 0.000 0.219 415 A C 2.449 180.025 177.584 -0.014 0.000 1.176 415 A CA 2.350 54.392 52.037 0.010 0.000 0.631 415 A CB -1.038 17.956 19.000 -0.009 0.000 0.814 415 A HN 0.972 nan 8.150 nan 0.000 0.446 416 A N -0.569 122.220 122.820 -0.051 0.000 1.929 416 A HA 0.289 4.609 4.320 -0.001 0.000 0.216 416 A C 2.391 179.891 177.584 -0.140 0.000 1.176 416 A CA 1.724 53.717 52.037 -0.074 0.000 0.628 416 A CB -0.716 18.242 19.000 -0.069 0.000 0.816 416 A HN 1.000 nan 8.150 nan 0.000 0.444 417 A N -1.629 121.049 122.820 -0.237 0.000 2.021 417 A HA 0.370 4.690 4.320 -0.001 0.000 0.216 417 A C 0.359 177.525 177.584 -0.696 0.000 1.163 417 A CA 0.482 52.198 52.037 -0.534 0.000 0.676 417 A CB -0.191 18.333 19.000 -0.794 0.000 0.818 417 A HN 0.427 nan 8.150 nan 0.000 0.453 418 F N -0.032 119.878 119.950 -0.067 0.000 2.660 418 F HA 0.348 4.874 4.527 -0.001 0.000 0.352 418 F C -2.864 172.906 175.800 -0.052 0.000 1.257 418 F CA -2.810 55.154 58.000 -0.060 0.000 1.200 418 F CB 0.950 39.906 39.000 -0.073 0.000 1.473 418 F HN -0.081 nan 8.300 nan 0.000 0.561 419 P HA 0.283 nan 4.420 nan 0.000 0.271 419 P C 0.989 178.314 177.300 0.042 0.000 1.220 419 P CA 0.797 63.916 63.100 0.033 0.000 0.768 419 P CB 1.187 32.888 31.700 0.001 0.000 0.848 420 G N 2.862 111.680 108.800 0.029 0.000 2.317 420 G HA2 -0.231 3.728 3.960 -0.001 0.000 0.227 420 G HA3 -0.231 3.728 3.960 -0.001 0.000 0.227 420 G C 0.349 175.260 174.900 0.018 0.000 1.042 420 G CA -0.215 44.897 45.100 0.020 0.000 0.623 420 G HN 0.549 nan 8.290 nan 0.000 0.509 421 D N 2.140 122.560 120.400 0.034 0.000 2.482 421 D HA 0.306 4.945 4.640 -0.001 0.000 0.244 421 D C 2.157 178.449 176.300 -0.014 0.000 1.242 421 D CA 0.725 54.727 54.000 0.002 0.000 1.097 421 D CB 0.555 41.352 40.800 -0.005 0.000 1.109 421 D HN 0.619 nan 8.370 nan 0.000 0.510 422 V N 0.395 120.301 119.914 -0.013 0.000 2.719 422 V HA -0.097 4.023 4.120 -0.001 0.000 0.252 422 V C 1.732 177.814 176.094 -0.020 0.000 1.065 422 V CA 1.022 63.315 62.300 -0.012 0.000 1.086 422 V CB -0.265 31.554 31.823 -0.006 0.000 0.700 422 V HN 0.168 nan 8.190 nan 0.000 0.467 423 D N 0.128 120.510 120.400 -0.030 0.000 2.317 423 D HA -0.071 4.569 4.640 -0.001 0.000 0.211 423 D C 2.267 178.537 176.300 -0.051 0.000 0.966 423 D CA 0.636 54.618 54.000 -0.030 0.000 0.876 423 D CB -0.108 40.675 40.800 -0.029 0.000 0.927 423 D HN 0.376 nan 8.370 nan 0.000 0.519 424 R N -0.342 120.103 120.500 -0.093 0.000 2.119 424 R HA 0.019 4.359 4.340 -0.001 0.000 0.222 424 R C 1.968 178.204 176.300 -0.106 0.000 1.088 424 R CA 0.512 56.519 56.100 -0.156 0.000 0.984 424 R CB -0.018 30.117 30.300 -0.276 0.000 0.884 424 R HN 0.245 nan 8.270 nan 0.000 0.447 425 L N 0.140 121.330 121.223 -0.055 0.000 2.093 425 L HA -0.126 4.213 4.340 -0.001 0.000 0.208 425 L C 2.840 179.727 176.870 0.028 0.000 1.085 425 L CA 1.156 55.989 54.840 -0.011 0.000 0.755 425 L CB -0.497 41.561 42.059 -0.002 0.000 0.904 425 L HN 0.182 nan 8.230 nan 0.000 0.435 426 R N 0.696 121.208 120.500 0.021 0.000 2.070 426 R HA -0.174 4.166 4.340 -0.001 0.000 0.232 426 R C 2.492 178.838 176.300 0.077 0.000 1.138 426 R CA 1.732 57.859 56.100 0.045 0.000 0.936 426 R CB -0.148 30.169 30.300 0.027 0.000 0.839 426 R HN 0.203 nan 8.270 nan 0.000 0.429 427 R N -0.366 120.165 120.500 0.051 0.000 2.105 427 R HA -0.072 4.268 4.340 -0.001 0.000 0.239 427 R C 2.240 178.632 176.300 0.154 0.000 1.135 427 R CA 2.021 58.172 56.100 0.084 0.000 0.967 427 R CB -0.080 30.222 30.300 0.004 0.000 0.861 427 R HN 0.314 nan 8.270 nan 0.000 0.442 428 M N -0.482 119.153 119.600 0.059 0.000 2.510 428 M HA 0.062 4.541 4.480 -0.001 0.000 0.256 428 M C 0.707 177.265 176.300 0.431 0.000 1.132 428 M CA -0.069 55.260 55.300 0.048 0.000 1.105 428 M CB 0.527 32.976 32.600 -0.252 0.000 1.375 428 M HN -0.054 nan 8.290 nan 0.000 0.477 429 S N 0.975 116.887 115.700 0.354 0.000 2.573 429 S HA -0.029 4.441 4.470 -0.001 0.000 0.297 429 S C 1.012 175.908 174.600 0.494 0.000 1.280 429 S CA -0.315 58.113 58.200 0.380 0.000 1.061 429 S CB 0.529 63.869 63.200 0.234 0.000 0.812 429 S HN 0.208 nan 8.310 nan 0.000 0.500 430 L N 5.588 127.060 121.223 0.414 0.000 2.217 430 L HA 0.116 4.455 4.340 -0.001 0.000 0.211 430 L C 0.706 177.688 176.870 0.187 0.000 1.107 430 L CA 0.847 55.863 54.840 0.294 0.000 0.783 430 L CB -0.814 41.384 42.059 0.231 0.000 0.919 430 L HN 0.498 nan 8.230 nan 0.000 0.442 431 V N 0.840 120.881 119.914 0.213 0.000 2.408 431 V HA 0.124 4.244 4.120 -0.001 0.000 0.267 431 V C 0.399 176.577 176.094 0.139 0.000 1.047 431 V CA -0.792 61.619 62.300 0.186 0.000 0.937 431 V CB 0.395 32.350 31.823 0.219 0.000 0.999 431 V HN 0.208 nan 8.190 nan 0.000 0.472 432 E N 4.062 124.323 120.200 0.101 0.000 2.283 432 E HA 0.337 4.687 4.350 -0.001 0.000 0.278 432 E C -0.228 176.418 176.600 0.077 0.000 1.027 432 E CA -0.342 56.106 56.400 0.080 0.000 0.843 432 E CB 2.044 31.772 29.700 0.047 0.000 1.062 432 E HN 0.711 nan 8.360 nan 0.000 0.401 433 E N 1.088 121.329 120.200 0.068 0.000 2.259 433 E HA 0.514 4.863 4.350 -0.001 0.000 0.257 433 E C -0.562 176.068 176.600 0.050 0.000 0.998 433 E CA -0.707 55.729 56.400 0.060 0.000 0.866 433 E CB 1.514 31.244 29.700 0.051 0.000 1.220 433 E HN 0.639 nan 8.360 nan 0.000 0.415 434 G N 0.700 109.528 108.800 0.046 0.000 2.992 434 G HA2 0.282 4.242 3.960 -0.001 0.000 0.677 434 G HA3 0.282 4.242 3.960 -0.001 0.000 0.677 434 G C 0.444 175.369 174.900 0.041 0.000 1.191 434 G CA 0.040 45.163 45.100 0.039 0.000 1.178 434 G HN 1.254 nan 8.290 nan 0.000 0.506 435 A N -0.166 122.678 122.820 0.040 0.000 1.344 435 A HA -0.171 4.148 4.320 -0.001 0.000 0.222 435 A C 1.158 178.776 177.584 0.057 0.000 0.364 435 A CA 2.333 54.395 52.037 0.042 0.000 1.096 435 A CB -1.585 17.437 19.000 0.037 0.000 1.468 435 A HN 2.260 nan 8.150 nan 0.000 0.722 436 V N 1.021 120.975 119.914 0.067 0.000 2.417 436 V HA 0.541 4.660 4.120 -0.001 0.000 0.291 436 V C 0.147 176.295 176.094 0.090 0.000 1.024 436 V CA -0.136 62.220 62.300 0.094 0.000 0.861 436 V CB 1.528 33.410 31.823 0.099 0.000 0.985 436 V HN 0.571 nan 8.190 nan 0.000 0.436 437 K N 4.471 124.937 120.400 0.109 0.000 2.349 437 K HA 0.452 4.772 4.320 -0.001 0.000 0.288 437 K C -0.222 176.445 176.600 0.111 0.000 1.058 437 K CA 0.191 56.545 56.287 0.111 0.000 0.953 437 K CB 0.346 32.924 32.500 0.131 0.000 0.997 437 K HN 0.609 nan 8.250 nan 0.000 0.477 438 R N 3.279 123.834 120.500 0.093 0.000 2.807 438 R HA 0.502 4.842 4.340 -0.001 0.000 0.276 438 R C -0.664 175.687 176.300 0.084 0.000 0.979 438 R CA -0.864 55.282 56.100 0.076 0.000 0.928 438 R CB 1.226 31.546 30.300 0.034 0.000 1.191 438 R HN 0.420 nan 8.270 nan 0.000 0.471 439 I N 1.716 122.340 120.570 0.090 0.000 2.385 439 I HA 0.200 4.369 4.170 -0.001 0.000 0.294 439 I C -0.218 175.919 176.117 0.033 0.000 0.988 439 I CA -0.638 60.714 61.300 0.086 0.000 1.265 439 I CB 1.320 39.379 38.000 0.097 0.000 1.388 439 I HN 0.544 nan 8.210 nan 0.000 0.480 440 N N 6.760 125.444 118.700 -0.027 0.000 2.439 440 N HA 0.170 4.910 4.740 -0.001 0.000 0.249 440 N C 0.586 176.057 175.510 -0.065 0.000 1.003 440 N CA -0.408 52.563 53.050 -0.133 0.000 0.942 440 N CB 1.147 39.379 38.487 -0.426 0.000 1.115 440 N HN 0.356 nan 8.380 nan 0.000 0.505 441 M N 2.161 121.746 119.600 -0.025 0.000 2.394 441 M HA 0.023 4.503 4.480 -0.001 0.000 0.264 441 M C 1.740 177.977 176.300 -0.105 0.000 1.073 441 M CA 0.525 55.818 55.300 -0.011 0.000 1.111 441 M CB -1.359 31.278 32.600 0.061 0.000 1.401 441 M HN 0.594 nan 8.290 nan 0.000 0.448 442 A N -0.650 122.132 122.820 -0.064 0.000 2.014 442 A HA -0.114 4.206 4.320 -0.001 0.000 0.218 442 A C 1.911 179.422 177.584 -0.121 0.000 1.163 442 A CA 0.996 52.974 52.037 -0.098 0.000 0.652 442 A CB -0.981 18.204 19.000 0.309 0.000 0.808 442 A HN 0.573 nan 8.150 nan 0.000 0.449 443 H N -1.505 117.459 119.070 -0.176 0.000 2.428 443 H HA -0.060 4.496 4.556 -0.001 0.000 0.296 443 H C 2.060 177.188 175.328 -0.333 0.000 1.062 443 H CA 0.975 56.831 56.048 -0.319 0.000 1.350 443 H CB 0.076 29.841 29.762 0.005 0.000 1.403 443 H HN 0.434 nan 8.280 nan 0.000 0.533 444 L N 0.775 121.951 121.223 -0.079 0.000 2.017 444 L HA -0.172 4.168 4.340 -0.001 0.000 0.208 444 L C 2.245 178.991 176.870 -0.206 0.000 1.073 444 L CA 1.487 56.267 54.840 -0.099 0.000 0.745 444 L CB -0.740 41.295 42.059 -0.040 0.000 0.894 444 L HN 0.281 nan 8.230 nan 0.000 0.432 445 C N -0.281 118.812 119.300 -0.345 0.000 2.425 445 C HA -0.129 4.331 4.460 -0.001 0.000 0.277 445 C C 2.688 177.433 174.990 -0.409 0.000 1.280 445 C CA 0.502 59.235 59.018 -0.476 0.000 1.744 445 C CB -0.993 26.113 27.740 -1.058 0.000 1.989 445 C HN 0.565 nan 8.230 nan 0.000 0.491 446 I N 1.803 122.079 120.570 -0.490 0.000 2.162 446 I HA -0.111 4.058 4.170 -0.001 0.000 0.238 446 I C 2.886 178.790 176.117 -0.355 0.000 1.076 446 I CA 1.928 62.930 61.300 -0.497 0.000 1.353 446 I CB -1.948 35.552 38.000 -0.832 0.000 1.063 446 I HN 0.235 nan 8.210 nan 0.000 0.408 447 A N 1.131 123.682 122.820 -0.448 0.000 1.903 447 A HA -0.181 4.138 4.320 -0.001 0.000 0.219 447 A C 2.339 179.870 177.584 -0.089 0.000 1.191 447 A CA 2.367 54.115 52.037 -0.481 0.000 0.638 447 A CB -1.381 17.164 19.000 -0.760 0.000 0.823 447 A HN 0.507 nan 8.150 nan 0.000 0.451 448 G N -1.699 107.038 108.800 -0.104 0.000 2.939 448 G HA2 0.359 4.319 3.960 -0.001 0.000 0.210 448 G HA3 0.359 4.319 3.960 -0.001 0.000 0.210 448 G C 0.410 175.122 174.900 -0.313 0.000 1.160 448 G CA 0.641 45.587 45.100 -0.256 0.000 0.770 448 G HN 0.410 nan 8.290 nan 0.000 0.543 449 S N 0.205 115.782 115.700 -0.205 0.000 2.565 449 S HA 0.288 4.757 4.470 -0.001 0.000 0.290 449 S C 1.020 175.559 174.600 -0.101 0.000 1.150 449 S CA -0.633 57.476 58.200 -0.152 0.000 1.058 449 S CB 1.109 64.225 63.200 -0.140 0.000 1.032 449 S HN 0.531 nan 8.310 nan 0.000 0.510 450 H N 0.168 119.186 119.070 -0.085 0.000 2.547 450 H HA 0.383 4.939 4.556 -0.001 0.000 0.272 450 H C 0.152 175.469 175.328 -0.018 0.000 0.989 450 H CA 0.429 56.461 56.048 -0.028 0.000 1.214 450 H CB 0.051 29.808 29.762 -0.007 0.000 1.389 450 H HN 0.495 nan 8.280 nan 0.000 0.577 451 A N 1.477 124.050 122.820 -0.411 0.000 2.459 451 A HA 0.510 4.830 4.320 -0.001 0.000 0.296 451 A C -0.907 176.474 177.584 -0.339 0.000 1.039 451 A CA -0.260 51.567 52.037 -0.350 0.000 0.698 451 A CB 1.992 20.742 19.000 -0.417 0.000 1.261 451 A HN 0.323 nan 8.150 nan 0.000 0.405 452 V N 2.642 122.294 119.914 -0.436 0.000 2.680 452 V HA 0.897 5.016 4.120 -0.001 0.000 0.309 452 V C -0.930 174.929 176.094 -0.391 0.000 1.052 452 V CA -0.529 61.505 62.300 -0.443 0.000 0.908 452 V CB 1.865 33.321 31.823 -0.611 0.000 1.001 452 V HN 1.184 nan 8.190 nan 0.000 0.431 453 N N 3.543 122.048 118.700 -0.325 0.000 2.455 453 N HA 0.666 5.406 4.740 -0.001 0.000 0.278 453 N C -0.445 174.894 175.510 -0.285 0.000 1.291 453 N CA -0.195 52.699 53.050 -0.260 0.000 0.780 453 N CB 2.422 40.763 38.487 -0.244 0.000 1.520 453 N HN 0.990 nan 8.380 nan 0.000 0.486 454 G N -1.029 107.597 108.800 -0.290 0.000 2.537 454 G HA2 0.462 4.421 3.960 -0.001 0.000 0.323 454 G HA3 0.462 4.421 3.960 -0.001 0.000 0.323 454 G C 0.531 175.337 174.900 -0.157 0.000 1.207 454 G CA -0.666 44.195 45.100 -0.398 0.000 0.976 454 G HN 0.630 nan 8.290 nan 0.000 0.487 455 V N -3.022 116.927 119.914 0.059 0.000 3.342 455 V HA 0.679 4.799 4.120 -0.001 0.000 0.322 455 V C 0.495 176.669 176.094 0.133 0.000 1.370 455 V CA 0.178 62.545 62.300 0.112 0.000 1.170 455 V CB -0.869 31.038 31.823 0.140 0.000 1.101 455 V HN 1.546 nan 8.190 nan 0.000 0.442 456 A N -0.313 122.566 122.820 0.098 0.000 2.580 456 A HA 0.538 4.857 4.320 -0.001 0.000 0.301 456 A C 0.633 178.240 177.584 0.039 0.000 1.054 456 A CA -0.149 51.944 52.037 0.093 0.000 0.751 456 A CB 0.904 19.979 19.000 0.125 0.000 1.275 456 A HN 0.053 nan 8.150 nan 0.000 0.403 457 R N 1.225 121.736 120.500 0.019 0.000 2.113 457 R HA -0.192 4.147 4.340 -0.001 0.000 0.244 457 R C 1.374 177.662 176.300 -0.020 0.000 1.142 457 R CA 2.352 58.442 56.100 -0.016 0.000 0.953 457 R CB -0.218 30.075 30.300 -0.011 0.000 0.860 457 R HN 0.796 nan 8.270 nan 0.000 0.438 458 I N 0.019 120.593 120.570 0.007 0.000 2.179 458 I HA -0.287 3.882 4.170 -0.001 0.000 0.242 458 I C 2.536 178.672 176.117 0.032 0.000 1.088 458 I CA 1.608 62.912 61.300 0.007 0.000 1.357 458 I CB -1.665 36.342 38.000 0.012 0.000 1.051 458 I HN 0.435 nan 8.210 nan 0.000 0.409 459 H N 0.671 119.724 119.070 -0.028 0.000 2.389 459 H HA -0.085 4.471 4.556 -0.001 0.000 0.299 459 H C 2.157 177.472 175.328 -0.021 0.000 1.081 459 H CA 1.510 57.542 56.048 -0.028 0.000 1.345 459 H CB 0.491 30.239 29.762 -0.024 0.000 1.393 459 H HN 0.176 nan 8.280 nan 0.000 0.520 460 S N 0.519 116.056 115.700 -0.272 0.000 2.423 460 S HA -0.085 4.384 4.470 -0.001 0.000 0.231 460 S C 1.803 176.313 174.600 -0.148 0.000 1.014 460 S CA 0.880 58.917 58.200 -0.271 0.000 0.965 460 S CB 0.041 63.124 63.200 -0.194 0.000 0.785 460 S HN 0.480 nan 8.310 nan 0.000 0.495 461 E N 1.307 121.439 120.200 -0.113 0.000 2.072 461 E HA 0.040 4.389 4.350 -0.001 0.000 0.190 461 E C 2.061 178.602 176.600 -0.100 0.000 0.982 461 E CA 0.416 56.745 56.400 -0.118 0.000 0.803 461 E CB -0.392 29.254 29.700 -0.089 0.000 0.755 461 E HN 0.345 nan 8.360 nan 0.000 0.453 462 I N 1.271 121.812 120.570 -0.048 0.000 2.194 462 I HA -0.281 3.888 4.170 -0.001 0.000 0.246 462 I C 2.387 178.497 176.117 -0.012 0.000 1.093 462 I CA 1.106 62.397 61.300 -0.015 0.000 1.355 462 I CB -0.723 37.304 38.000 0.045 0.000 1.046 462 I HN 0.120 nan 8.210 nan 0.000 0.413 463 L N 0.141 121.368 121.223 0.007 0.000 2.046 463 L HA -0.242 4.098 4.340 -0.001 0.000 0.208 463 L C 2.490 179.422 176.870 0.103 0.000 1.077 463 L CA 1.468 56.374 54.840 0.110 0.000 0.747 463 L CB -0.583 41.626 42.059 0.250 0.000 0.896 463 L HN 0.229 nan 8.230 nan 0.000 0.432 464 K N -0.454 119.894 120.400 -0.087 0.000 2.155 464 K HA -0.082 4.238 4.320 -0.001 0.000 0.203 464 K C 2.086 178.582 176.600 -0.173 0.000 1.052 464 K CA 0.637 56.735 56.287 -0.315 0.000 0.948 464 K CB 0.097 32.147 32.500 -0.751 0.000 0.728 464 K HN 0.150 nan 8.250 nan 0.000 0.448 465 K N 0.162 120.493 120.400 -0.115 0.000 2.067 465 K HA -0.020 4.299 4.320 -0.001 0.000 0.203 465 K C 2.311 178.893 176.600 -0.030 0.000 1.048 465 K CA 1.772 58.019 56.287 -0.067 0.000 0.954 465 K CB -0.449 32.013 32.500 -0.063 0.000 0.737 465 K HN 0.309 nan 8.250 nan 0.000 0.444 466 T N -1.102 113.435 114.554 -0.028 0.000 3.348 466 T HA 0.160 4.509 4.350 -0.001 0.000 0.233 466 T C 2.252 176.938 174.700 -0.023 0.000 0.960 466 T CA 0.089 62.175 62.100 -0.024 0.000 1.343 466 T CB -0.700 68.147 68.868 -0.035 0.000 1.068 466 T HN -0.030 nan 8.240 nan 0.000 0.410 467 I N 0.538 121.054 120.570 -0.089 0.000 2.127 467 I HA -0.028 4.142 4.170 -0.001 0.000 0.241 467 I C 1.102 177.147 176.117 -0.119 0.000 1.075 467 I CA 1.496 62.654 61.300 -0.236 0.000 1.334 467 I CB -0.373 37.284 38.000 -0.572 0.000 1.040 467 I HN 0.159 nan 8.210 nan 0.000 0.405 468 F N 0.988 121.064 119.950 0.210 0.000 2.963 468 F HA 0.281 4.807 4.527 -0.001 0.000 0.321 468 F C 1.630 177.550 175.800 0.201 0.000 1.234 468 F CA -0.695 57.510 58.000 0.341 0.000 1.296 468 F CB -0.428 38.851 39.000 0.465 0.000 0.981 468 F HN -0.102 nan 8.300 nan 0.000 0.507 469 K N 0.495 121.022 120.400 0.211 0.000 2.057 469 K HA -0.159 4.161 4.320 -0.001 0.000 0.207 469 K C 1.361 177.988 176.600 0.044 0.000 1.049 469 K CA 1.707 58.049 56.287 0.091 0.000 0.931 469 K CB 0.074 32.593 32.500 0.031 0.000 0.714 469 K HN 0.163 nan 8.250 nan 0.000 0.440 470 D N -0.141 120.241 120.400 -0.030 0.000 2.178 470 D HA -0.147 4.493 4.640 -0.001 0.000 0.201 470 D C 1.783 177.937 176.300 -0.242 0.000 0.980 470 D CA 1.077 54.933 54.000 -0.241 0.000 0.842 470 D CB -0.109 40.452 40.800 -0.397 0.000 0.948 470 D HN 0.174 nan 8.370 nan 0.000 0.472 471 F N -0.030 119.991 119.950 0.119 0.000 2.128 471 F HA -0.140 4.387 4.527 -0.001 0.000 0.295 471 F C 2.325 178.190 175.800 0.109 0.000 1.100 471 F CA 0.531 58.669 58.000 0.230 0.000 1.260 471 F CB -0.913 38.313 39.000 0.376 0.000 1.009 471 F HN -0.035 nan 8.300 nan 0.000 0.476 472 Y N 1.141 121.292 120.300 -0.249 0.000 2.207 472 Y HA -0.247 4.303 4.550 -0.001 0.000 0.287 472 Y C 2.286 178.086 175.900 -0.166 0.000 1.156 472 Y CA 1.833 59.537 58.100 -0.661 0.000 1.182 472 Y CB -0.657 37.276 38.460 -0.878 0.000 0.979 472 Y HN 0.135 nan 8.280 nan 0.000 0.521 473 E N -0.232 119.844 120.200 -0.207 0.000 2.058 473 E HA -0.227 4.122 4.350 -0.001 0.000 0.194 473 E C 2.063 178.689 176.600 0.043 0.000 0.997 473 E CA 1.531 57.860 56.400 -0.118 0.000 0.801 473 E CB -0.417 29.253 29.700 -0.051 0.000 0.746 473 E HN 0.490 nan 8.360 nan 0.000 0.450 474 L N 0.960 122.266 121.223 0.139 0.000 2.023 474 L HA -0.080 4.260 4.340 -0.001 0.000 0.205 474 L C 0.527 177.467 176.870 0.116 0.000 1.073 474 L CA 1.554 56.526 54.840 0.220 0.000 0.745 474 L CB 0.069 42.272 42.059 0.241 0.000 0.900 474 L HN 0.081 nan 8.230 nan 0.000 0.435 475 E N -0.914 119.351 120.200 0.107 0.000 3.651 475 E HA 0.217 4.566 4.350 -0.001 0.000 0.220 475 E C -2.259 174.114 176.600 -0.378 0.000 1.222 475 E CA -1.564 54.813 56.400 -0.039 0.000 1.114 475 E CB 0.526 30.297 29.700 0.117 0.000 1.278 475 E HN 0.272 nan 8.360 nan 0.000 0.412 476 P HA -0.266 nan 4.420 nan 0.000 0.216 476 P C 1.150 178.515 177.300 0.108 0.000 1.150 476 P CA 1.742 64.662 63.100 -0.300 0.000 0.837 476 P CB -0.176 31.160 31.700 -0.607 0.000 0.786 477 H N 0.415 119.600 119.070 0.193 0.000 2.472 477 H HA -0.116 4.440 4.556 -0.001 0.000 0.296 477 H C 1.762 177.210 175.328 0.199 0.000 1.120 477 H CA 1.427 57.583 56.048 0.181 0.000 1.250 477 H CB -1.194 28.638 29.762 0.117 0.000 1.366 477 H HN 0.187 nan 8.280 nan 0.000 0.524 478 K N 0.089 120.474 120.400 -0.025 0.000 2.217 478 K HA 0.006 4.325 4.320 -0.001 0.000 0.202 478 K C -0.334 176.181 176.600 -0.142 0.000 1.051 478 K CA 0.340 56.580 56.287 -0.079 0.000 0.952 478 K CB 0.075 32.393 32.500 -0.303 0.000 0.736 478 K HN 0.196 nan 8.250 nan 0.000 0.453 479 F N 2.215 122.188 119.950 0.038 0.000 2.445 479 F HA 0.127 4.653 4.527 -0.001 0.000 0.359 479 F C 0.604 176.390 175.800 -0.024 0.000 1.101 479 F CA 0.097 58.111 58.000 0.023 0.000 1.177 479 F CB 0.650 39.727 39.000 0.129 0.000 1.110 479 F HN -0.073 nan 8.300 nan 0.000 0.522 480 Q N 1.870 121.667 119.800 -0.005 0.000 2.605 480 Q HA 0.412 4.752 4.340 -0.001 0.000 0.296 480 Q C -1.348 174.577 176.000 -0.126 0.000 1.056 480 Q CA -1.442 54.317 55.803 -0.074 0.000 0.778 480 Q CB 3.002 31.651 28.738 -0.148 0.000 1.497 480 Q HN 0.614 nan 8.270 nan 0.000 0.443 481 N N 0.061 118.668 118.700 -0.154 0.000 2.229 481 N HA 0.334 5.074 4.740 -0.001 0.000 0.298 481 N C -1.754 173.622 175.510 -0.223 0.000 1.114 481 N CA -0.490 52.459 53.050 -0.169 0.000 0.776 481 N CB 1.333 39.746 38.487 -0.122 0.000 1.501 481 N HN 0.190 nan 8.380 nan 0.000 0.474 482 K N 2.038 122.303 120.400 -0.225 0.000 2.668 482 K HA 0.271 4.590 4.320 -0.001 0.000 0.246 482 K C -1.204 175.353 176.600 -0.073 0.000 0.976 482 K CA -0.544 55.576 56.287 -0.277 0.000 0.902 482 K CB 1.439 33.555 32.500 -0.641 0.000 1.172 482 K HN 0.627 nan 8.250 nan 0.000 0.452 483 T N 2.413 116.957 114.554 -0.016 0.000 2.884 483 T HA 0.153 4.502 4.350 -0.001 0.000 0.298 483 T C 0.708 175.518 174.700 0.184 0.000 0.998 483 T CA 0.017 62.171 62.100 0.090 0.000 1.124 483 T CB 0.390 69.313 68.868 0.092 0.000 0.931 483 T HN 0.380 nan 8.240 nan 0.000 0.531 484 N N 0.543 119.390 118.700 0.246 0.000 2.297 484 N HA 0.442 5.181 4.740 -0.001 0.000 0.232 484 N C 0.372 176.081 175.510 0.331 0.000 1.311 484 N CA -0.233 53.015 53.050 0.330 0.000 0.897 484 N CB 0.406 39.044 38.487 0.251 0.000 1.137 484 N HN 0.743 nan 8.380 nan 0.000 0.449 485 G N -0.788 108.225 108.800 0.356 0.000 2.660 485 G HA2 0.550 4.510 3.960 -0.001 0.000 0.290 485 G HA3 0.550 4.510 3.960 -0.001 0.000 0.290 485 G C -1.143 173.914 174.900 0.262 0.000 1.432 485 G CA -0.764 44.526 45.100 0.318 0.000 0.807 485 G HN 0.594 nan 8.290 nan 0.000 0.485 486 I N -2.398 118.303 120.570 0.219 0.000 3.237 486 I HA 0.879 5.049 4.170 -0.001 0.000 0.308 486 I C -0.215 176.088 176.117 0.310 0.000 1.093 486 I CA -1.003 60.412 61.300 0.191 0.000 1.001 486 I CB 2.410 40.403 38.000 -0.011 0.000 1.245 486 I HN 0.509 nan 8.210 nan 0.000 0.485 487 T N 1.945 116.780 114.554 0.469 0.000 2.771 487 T HA 0.461 4.811 4.350 -0.001 0.000 0.281 487 T C -1.690 173.163 174.700 0.255 0.000 0.982 487 T CA -2.070 60.213 62.100 0.304 0.000 0.978 487 T CB 1.205 70.206 68.868 0.220 0.000 0.930 487 T HN 0.599 nan 8.240 nan 0.000 0.447 488 P HA -0.004 nan 4.420 nan 0.000 0.231 488 P C 0.815 178.119 177.300 0.006 0.000 1.158 488 P CA 0.482 63.648 63.100 0.110 0.000 0.763 488 P CB 0.395 32.149 31.700 0.090 0.000 0.805 489 R N 0.124 120.586 120.500 -0.063 0.000 2.046 489 R HA 0.086 4.426 4.340 -0.001 0.000 0.223 489 R C 2.758 178.959 176.300 -0.164 0.000 1.179 489 R CA 1.038 57.050 56.100 -0.146 0.000 0.952 489 R CB -0.964 29.264 30.300 -0.121 0.000 0.843 489 R HN 0.000 nan 8.270 nan 0.000 0.439 490 R N -0.085 120.244 120.500 -0.285 0.000 2.070 490 R HA -0.145 4.194 4.340 -0.001 0.000 0.233 490 R C 1.547 177.472 176.300 -0.625 0.000 1.137 490 R CA 1.898 57.662 56.100 -0.559 0.000 0.945 490 R CB -0.307 29.449 30.300 -0.907 0.000 0.845 490 R HN 0.302 nan 8.270 nan 0.000 0.430 491 W N -0.208 121.070 121.300 -0.036 0.000 2.825 491 W HA 0.012 4.672 4.660 -0.001 0.000 0.243 491 W C 1.403 177.898 176.519 -0.039 0.000 1.293 491 W CA -0.411 56.905 57.345 -0.048 0.000 1.403 491 W CB 0.189 29.630 29.460 -0.031 0.000 1.134 491 W HN 0.290 nan 8.180 nan 0.000 0.666 492 L N -1.206 120.055 121.223 0.064 0.000 2.865 492 L HA 0.138 4.478 4.340 -0.001 0.000 0.167 492 L C 1.984 178.868 176.870 0.022 0.000 1.135 492 L CA 0.993 55.872 54.840 0.065 0.000 0.895 492 L CB -1.091 41.039 42.059 0.118 0.000 1.643 492 L HN -0.199 nan 8.230 nan 0.000 0.518 493 V N -0.023 119.895 119.914 0.007 0.000 2.759 493 V HA -0.122 3.998 4.120 -0.001 0.000 0.256 493 V C 2.040 178.122 176.094 -0.020 0.000 1.080 493 V CA 2.168 64.474 62.300 0.010 0.000 1.101 493 V CB -0.452 31.355 31.823 -0.027 0.000 0.698 493 V HN 0.493 nan 8.190 nan 0.000 0.477 494 L N 0.387 121.568 121.223 -0.071 0.000 2.084 494 L HA -0.034 4.306 4.340 -0.001 0.000 0.202 494 L C 2.598 179.402 176.870 -0.110 0.000 1.074 494 L CA 1.999 56.778 54.840 -0.102 0.000 0.757 494 L CB -0.172 41.782 42.059 -0.175 0.000 0.918 494 L HN 0.645 nan 8.230 nan 0.000 0.444 495 C N -2.506 116.715 119.300 -0.131 0.000 2.673 495 C HA 0.197 4.657 4.460 -0.001 0.000 0.264 495 C C 1.289 176.241 174.990 -0.063 0.000 1.304 495 C CA -0.245 58.706 59.018 -0.112 0.000 1.727 495 C CB -1.755 25.907 27.740 -0.130 0.000 1.932 495 C HN 0.595 nan 8.230 nan 0.000 0.563 496 N N 1.356 120.034 118.700 -0.036 0.000 2.679 496 N HA 0.242 4.981 4.740 -0.001 0.000 0.302 496 N C -1.583 173.924 175.510 -0.004 0.000 1.941 496 N CA -1.230 51.807 53.050 -0.021 0.000 0.875 496 N CB 0.959 39.438 38.487 -0.012 0.000 1.278 496 N HN 0.242 nan 8.380 nan 0.000 0.490 497 P HA -0.161 nan 4.420 nan 0.000 0.218 497 P C 1.330 178.639 177.300 0.016 0.000 1.146 497 P CA 1.218 64.325 63.100 0.011 0.000 0.820 497 P CB 0.237 31.938 31.700 0.002 0.000 0.778 498 G N 0.329 109.131 108.800 0.003 0.000 2.403 498 G HA2 -0.162 3.797 3.960 -0.001 0.000 0.216 498 G HA3 -0.162 3.797 3.960 -0.001 0.000 0.216 498 G C 1.594 176.494 174.900 0.000 0.000 1.154 498 G CA 0.048 45.148 45.100 0.000 0.000 0.784 498 G HN 0.206 nan 8.290 nan 0.000 0.538 499 L N 0.757 121.975 121.223 -0.008 0.000 2.072 499 L HA 0.061 4.401 4.340 -0.001 0.000 0.205 499 L C 3.119 179.987 176.870 -0.005 0.000 1.079 499 L CA 1.754 56.581 54.840 -0.022 0.000 0.752 499 L CB -0.675 41.365 42.059 -0.031 0.000 0.906 499 L HN 0.320 nan 8.230 nan 0.000 0.436 500 A N -0.375 122.470 122.820 0.041 0.000 1.902 500 A HA -0.266 4.053 4.320 -0.001 0.000 0.217 500 A C 2.111 179.781 177.584 0.144 0.000 1.181 500 A CA 1.724 53.846 52.037 0.141 0.000 0.623 500 A CB -0.494 18.615 19.000 0.182 0.000 0.818 500 A HN 0.511 nan 8.150 nan 0.000 0.443 501 E N -0.064 120.187 120.200 0.085 0.000 2.038 501 E HA -0.206 4.143 4.350 -0.001 0.000 0.195 501 E C 1.943 178.582 176.600 0.066 0.000 1.000 501 E CA 1.812 58.255 56.400 0.072 0.000 0.803 501 E CB -0.336 29.389 29.700 0.043 0.000 0.750 501 E HN 0.810 nan 8.360 nan 0.000 0.448 502 I N -1.467 119.135 120.570 0.053 0.000 2.493 502 I HA -0.147 4.023 4.170 -0.001 0.000 0.254 502 I C 2.084 178.251 176.117 0.083 0.000 1.160 502 I CA 1.034 62.381 61.300 0.078 0.000 1.445 502 I CB -0.331 37.722 38.000 0.090 0.000 1.086 502 I HN 0.057 nan 8.210 nan 0.000 0.433 503 I N 1.883 122.467 120.570 0.023 0.000 2.353 503 I HA -0.161 4.009 4.170 -0.001 0.000 0.248 503 I C 3.010 179.112 176.117 -0.025 0.000 1.119 503 I CA 1.094 62.330 61.300 -0.106 0.000 1.417 503 I CB -0.441 37.317 38.000 -0.403 0.000 1.078 503 I HN 0.295 nan 8.210 nan 0.000 0.421 504 A N 1.633 124.536 122.820 0.138 0.000 1.858 504 A HA -0.249 4.071 4.320 -0.001 0.000 0.216 504 A C 2.221 179.856 177.584 0.085 0.000 1.190 504 A CA 1.976 54.143 52.037 0.217 0.000 0.617 504 A CB -0.799 18.312 19.000 0.185 0.000 0.827 504 A HN 0.628 nan 8.150 nan 0.000 0.443 505 E N -0.529 119.697 120.200 0.043 0.000 2.401 505 E HA -0.169 4.180 4.350 -0.001 0.000 0.199 505 E C 1.827 178.407 176.600 -0.033 0.000 1.023 505 E CA 1.107 57.516 56.400 0.013 0.000 0.859 505 E CB -0.181 29.530 29.700 0.020 0.000 0.780 505 E HN 0.632 nan 8.360 nan 0.000 0.523 506 R N 0.455 120.888 120.500 -0.113 0.000 2.195 506 R HA 0.240 4.580 4.340 -0.001 0.000 0.197 506 R C 1.690 177.917 176.300 -0.122 0.000 0.990 506 R CA 0.892 56.866 56.100 -0.209 0.000 1.048 506 R CB 0.272 30.193 30.300 -0.632 0.000 0.997 506 R HN 0.326 nan 8.270 nan 0.000 0.502 507 I N -3.100 117.429 120.570 -0.069 0.000 3.426 507 I HA 0.504 4.673 4.170 -0.001 0.000 0.329 507 I C 0.147 176.316 176.117 0.087 0.000 1.553 507 I CA -0.487 60.819 61.300 0.010 0.000 1.019 507 I CB 1.156 39.153 38.000 -0.006 0.000 1.376 507 I HN 0.143 nan 8.210 nan 0.000 0.525 508 G N 1.786 110.634 108.800 0.080 0.000 2.796 508 G HA2 -0.242 3.718 3.960 -0.001 0.000 0.226 508 G HA3 -0.242 3.718 3.960 -0.001 0.000 0.226 508 G C 0.052 175.013 174.900 0.102 0.000 1.381 508 G CA 0.289 45.434 45.100 0.075 0.000 0.867 508 G HN 0.551 nan 8.290 nan 0.000 0.552 509 E N -0.269 119.930 120.200 -0.001 0.000 2.479 509 E HA 0.106 4.455 4.350 -0.001 0.000 0.193 509 E C 1.989 178.430 176.600 -0.265 0.000 1.049 509 E CA 0.445 56.755 56.400 -0.150 0.000 0.870 509 E CB 0.274 29.933 29.700 -0.069 0.000 0.944 509 E HN 0.615 nan 8.360 nan 0.000 0.492 510 E N 0.239 120.374 120.200 -0.110 0.000 2.160 510 E HA -0.224 4.126 4.350 -0.001 0.000 0.195 510 E C 1.588 178.126 176.600 -0.102 0.000 0.991 510 E CA 1.274 57.628 56.400 -0.078 0.000 0.810 510 E CB -0.108 29.594 29.700 0.003 0.000 0.742 510 E HN 0.479 nan 8.360 nan 0.000 0.466 511 Y N -0.633 119.658 120.300 -0.015 0.000 2.241 511 Y HA -0.191 4.359 4.550 -0.001 0.000 0.286 511 Y C 1.768 177.639 175.900 -0.048 0.000 1.166 511 Y CA 0.915 59.002 58.100 -0.022 0.000 1.203 511 Y CB -0.768 37.682 38.460 -0.016 0.000 0.977 511 Y HN -0.001 nan 8.280 nan 0.000 0.529 512 I N 0.953 121.149 120.570 -0.624 0.000 2.530 512 I HA -0.239 3.931 4.170 -0.001 0.000 0.257 512 I C 1.525 177.465 176.117 -0.296 0.000 1.179 512 I CA 1.832 62.822 61.300 -0.517 0.000 1.440 512 I CB -0.473 37.041 38.000 -0.810 0.000 1.087 512 I HN 0.530 nan 8.210 nan 0.000 0.440 513 S N -2.290 113.310 115.700 -0.166 0.000 2.960 513 S HA 0.144 4.613 4.470 -0.001 0.000 0.256 513 S C 0.049 174.640 174.600 -0.014 0.000 1.017 513 S CA -0.557 57.604 58.200 -0.065 0.000 1.144 513 S CB 0.300 63.490 63.200 -0.017 0.000 1.109 513 S HN 0.316 nan 8.310 nan 0.000 0.638 514 D N 0.957 121.354 120.400 -0.005 0.000 2.517 514 D HA 0.316 4.955 4.640 -0.001 0.000 0.263 514 D C 0.356 176.690 176.300 0.057 0.000 1.233 514 D CA -0.489 53.523 54.000 0.022 0.000 0.849 514 D CB 0.611 41.422 40.800 0.018 0.000 1.261 514 D HN 0.070 nan 8.370 nan 0.000 0.516 515 L N 1.625 122.888 121.223 0.067 0.000 2.456 515 L HA 0.069 4.409 4.340 -0.001 0.000 0.224 515 L C 1.433 178.346 176.870 0.072 0.000 1.148 515 L CA 1.198 56.100 54.840 0.104 0.000 0.825 515 L CB -0.146 41.974 42.059 0.103 0.000 0.937 515 L HN 0.357 nan 8.230 nan 0.000 0.450 516 D N -0.585 119.838 120.400 0.039 0.000 2.221 516 D HA -0.229 4.410 4.640 -0.001 0.000 0.204 516 D C 1.758 178.080 176.300 0.037 0.000 0.982 516 D CA 0.850 54.864 54.000 0.022 0.000 0.857 516 D CB 0.119 40.922 40.800 0.005 0.000 0.934 516 D HN 0.541 nan 8.370 nan 0.000 0.475 517 Q N -0.022 119.813 119.800 0.058 0.000 2.443 517 Q HA -0.075 4.264 4.340 -0.001 0.000 0.213 517 Q C 2.218 178.251 176.000 0.055 0.000 0.982 517 Q CA 0.215 56.057 55.803 0.065 0.000 0.894 517 Q CB 0.021 28.816 28.738 0.096 0.000 0.947 517 Q HN 0.407 nan 8.270 nan 0.000 0.480 518 L N -0.029 121.222 121.223 0.046 0.000 2.275 518 L HA -0.157 4.183 4.340 -0.001 0.000 0.215 518 L C 2.087 178.970 176.870 0.021 0.000 1.119 518 L CA 0.800 55.644 54.840 0.008 0.000 0.790 518 L CB -0.238 41.825 42.059 0.007 0.000 0.919 518 L HN 0.186 nan 8.230 nan 0.000 0.443 519 R N 0.208 120.727 120.500 0.032 0.000 2.241 519 R HA -0.143 4.196 4.340 -0.001 0.000 0.224 519 R C 1.976 178.301 176.300 0.042 0.000 1.101 519 R CA 0.725 56.847 56.100 0.037 0.000 0.995 519 R CB -0.201 30.116 30.300 0.028 0.000 0.870 519 R HN 0.408 nan 8.270 nan 0.000 0.463 520 K N 0.752 121.176 120.400 0.039 0.000 2.209 520 K HA -0.089 4.231 4.320 -0.001 0.000 0.204 520 K C 1.847 178.505 176.600 0.097 0.000 1.048 520 K CA 0.942 57.264 56.287 0.059 0.000 0.940 520 K CB -0.099 32.431 32.500 0.050 0.000 0.729 520 K HN 0.204 nan 8.250 nan 0.000 0.451 521 L N 0.881 122.129 121.223 0.042 0.000 2.362 521 L HA -0.132 4.207 4.340 -0.001 0.000 0.219 521 L C 1.997 178.963 176.870 0.159 0.000 1.134 521 L CA 0.582 55.448 54.840 0.042 0.000 0.807 521 L CB -0.406 41.673 42.059 0.034 0.000 0.927 521 L HN 0.188 nan 8.230 nan 0.000 0.447 522 L N -1.000 120.292 121.223 0.114 0.000 2.141 522 L HA -0.148 4.192 4.340 -0.001 0.000 0.209 522 L C 2.554 179.468 176.870 0.074 0.000 1.094 522 L CA 0.715 55.611 54.840 0.095 0.000 0.763 522 L CB -0.406 41.687 42.059 0.057 0.000 0.908 522 L HN 0.158 nan 8.230 nan 0.000 0.437 523 S N -1.101 114.630 115.700 0.051 0.000 2.465 523 S HA -0.164 4.305 4.470 -0.001 0.000 0.241 523 S C 1.109 175.575 174.600 -0.225 0.000 1.000 523 S CA 1.136 59.278 58.200 -0.097 0.000 0.964 523 S CB -0.255 62.833 63.200 -0.186 0.000 0.763 523 S HN 0.413 nan 8.310 nan 0.000 0.512 524 Y N -0.459 119.800 120.300 -0.069 0.000 2.507 524 Y HA 0.305 4.854 4.550 -0.001 0.000 0.254 524 Y C 1.697 177.665 175.900 0.113 0.000 1.171 524 Y CA -0.590 57.480 58.100 -0.051 0.000 1.238 524 Y CB -0.153 38.099 38.460 -0.346 0.000 1.148 524 Y HN -0.004 nan 8.280 nan 0.000 0.525 525 V N 0.008 120.037 119.914 0.191 0.000 2.469 525 V HA -0.279 3.840 4.120 -0.001 0.000 0.251 525 V C 1.391 177.558 176.094 0.122 0.000 1.064 525 V CA 2.120 64.516 62.300 0.160 0.000 1.066 525 V CB -0.131 31.746 31.823 0.090 0.000 0.667 525 V HN 0.418 nan 8.190 nan 0.000 0.461 526 D N -0.660 119.785 120.400 0.075 0.000 2.368 526 D HA 0.050 4.690 4.640 -0.001 0.000 0.218 526 D C 0.418 176.759 176.300 0.069 0.000 1.112 526 D CA 0.065 54.098 54.000 0.056 0.000 0.834 526 D CB 0.202 41.012 40.800 0.017 0.000 0.953 526 D HN 0.396 nan 8.370 nan 0.000 0.505 527 D N 1.683 122.158 120.400 0.126 0.000 2.380 527 D HA -0.004 4.635 4.640 -0.001 0.000 0.230 527 D C 1.182 177.588 176.300 0.177 0.000 1.154 527 D CA -0.173 53.915 54.000 0.146 0.000 0.859 527 D CB 1.208 42.142 40.800 0.222 0.000 1.045 527 D HN -0.143 nan 8.370 nan 0.000 0.495 528 E N 2.917 123.183 120.200 0.111 0.000 2.085 528 E HA -0.186 4.163 4.350 -0.001 0.000 0.194 528 E C 1.707 178.371 176.600 0.108 0.000 0.994 528 E CA 1.031 57.485 56.400 0.091 0.000 0.801 528 E CB -0.260 29.475 29.700 0.057 0.000 0.743 528 E HN 0.643 nan 8.360 nan 0.000 0.453 529 A N 0.278 123.175 122.820 0.128 0.000 2.067 529 A HA -0.125 4.194 4.320 -0.001 0.000 0.219 529 A C 1.966 179.662 177.584 0.188 0.000 1.158 529 A CA 0.785 52.899 52.037 0.127 0.000 0.661 529 A CB -0.499 18.573 19.000 0.119 0.000 0.801 529 A HN 0.207 nan 8.150 nan 0.000 0.452 530 F N 0.569 120.561 119.950 0.070 0.000 2.094 530 F HA -0.024 4.503 4.527 -0.001 0.000 0.291 530 F C 1.935 177.756 175.800 0.035 0.000 1.109 530 F CA 1.007 59.036 58.000 0.048 0.000 1.221 530 F CB -0.651 38.407 39.000 0.096 0.000 1.014 530 F HN 0.149 nan 8.300 nan 0.000 0.473 531 I N 0.317 120.932 120.570 0.075 0.000 2.181 531 I HA -0.395 3.774 4.170 -0.001 0.000 0.247 531 I C 2.721 178.795 176.117 -0.070 0.000 1.081 531 I CA 1.618 62.894 61.300 -0.040 0.000 1.340 531 I CB -0.539 37.487 38.000 0.043 0.000 1.036 531 I HN 0.136 nan 8.210 nan 0.000 0.417 532 R N 0.886 121.374 120.500 -0.020 0.000 2.062 532 R HA -0.140 4.200 4.340 -0.001 0.000 0.229 532 R C 1.634 177.903 176.300 -0.050 0.000 1.128 532 R CA 1.778 57.865 56.100 -0.022 0.000 0.960 532 R CB -0.533 29.772 30.300 0.009 0.000 0.855 532 R HN 0.322 nan 8.270 nan 0.000 0.432 533 D N 0.161 120.528 120.400 -0.056 0.000 2.224 533 D HA -0.075 4.564 4.640 -0.001 0.000 0.205 533 D C 1.921 178.126 176.300 -0.157 0.000 0.965 533 D CA 0.686 54.643 54.000 -0.072 0.000 0.852 533 D CB 0.201 40.991 40.800 -0.016 0.000 0.947 533 D HN 0.052 nan 8.370 nan 0.000 0.494 534 V N 1.461 121.194 119.914 -0.301 0.000 2.283 534 V HA -0.173 3.946 4.120 -0.001 0.000 0.243 534 V C 2.566 178.566 176.094 -0.157 0.000 1.039 534 V CA 1.726 63.828 62.300 -0.330 0.000 1.016 534 V CB -0.829 30.681 31.823 -0.522 0.000 0.650 534 V HN 0.156 nan 8.190 nan 0.000 0.449 535 A N -0.400 122.354 122.820 -0.110 0.000 2.070 535 A HA -0.244 4.075 4.320 -0.001 0.000 0.220 535 A C 2.323 179.876 177.584 -0.053 0.000 1.159 535 A CA 2.051 54.059 52.037 -0.048 0.000 0.656 535 A CB -0.476 18.505 19.000 -0.031 0.000 0.800 535 A HN 0.543 nan 8.150 nan 0.000 0.453 536 K N -0.304 120.059 120.400 -0.061 0.000 2.031 536 K HA -0.057 4.263 4.320 -0.001 0.000 0.205 536 K C 1.822 178.393 176.600 -0.048 0.000 1.049 536 K CA 1.422 57.681 56.287 -0.047 0.000 0.939 536 K CB -0.250 32.228 32.500 -0.038 0.000 0.717 536 K HN 0.209 nan 8.250 nan 0.000 0.438 537 V N 1.853 121.732 119.914 -0.058 0.000 2.287 537 V HA -0.265 3.855 4.120 -0.001 0.000 0.248 537 V C 2.403 178.466 176.094 -0.052 0.000 1.053 537 V CA 2.058 64.327 62.300 -0.052 0.000 1.027 537 V CB -0.453 31.333 31.823 -0.063 0.000 0.646 537 V HN 0.356 nan 8.190 nan 0.000 0.447 538 K N 0.478 120.847 120.400 -0.053 0.000 2.032 538 K HA -0.244 4.075 4.320 -0.001 0.000 0.209 538 K C 2.173 178.722 176.600 -0.085 0.000 1.048 538 K CA 2.097 58.351 56.287 -0.054 0.000 0.927 538 K CB -0.599 31.891 32.500 -0.017 0.000 0.712 538 K HN 0.487 nan 8.250 nan 0.000 0.441 539 Q N 1.276 121.032 119.800 -0.073 0.000 2.030 539 Q HA -0.179 4.161 4.340 -0.001 0.000 0.204 539 Q C 1.717 177.675 176.000 -0.069 0.000 0.986 539 Q CA 2.319 58.073 55.803 -0.082 0.000 0.843 539 Q CB -0.400 28.305 28.738 -0.056 0.000 0.904 539 Q HN 0.537 nan 8.270 nan 0.000 0.420 540 E N -0.129 120.044 120.200 -0.046 0.000 2.110 540 E HA -0.184 4.165 4.350 -0.001 0.000 0.193 540 E C 1.948 178.534 176.600 -0.024 0.000 0.988 540 E CA 1.245 57.630 56.400 -0.026 0.000 0.804 540 E CB -0.251 29.438 29.700 -0.019 0.000 0.745 540 E HN 0.580 nan 8.360 nan 0.000 0.458 541 N N 0.566 119.240 118.700 -0.042 0.000 2.166 541 N HA -0.133 4.607 4.740 -0.001 0.000 0.186 541 N C 1.669 177.157 175.510 -0.037 0.000 1.019 541 N CA 0.909 53.936 53.050 -0.039 0.000 0.856 541 N CB 0.103 38.553 38.487 -0.061 0.000 0.993 541 N HN 0.058 nan 8.380 nan 0.000 0.426 542 K N 0.362 120.684 120.400 -0.129 0.000 2.062 542 K HA -0.062 4.258 4.320 -0.001 0.000 0.205 542 K C 1.814 178.403 176.600 -0.019 0.000 1.051 542 K CA 0.579 56.716 56.287 -0.251 0.000 0.941 542 K CB -0.251 31.850 32.500 -0.666 0.000 0.719 542 K HN 0.076 nan 8.250 nan 0.000 0.440 543 L N 2.293 123.505 121.223 -0.017 0.000 2.043 543 L HA -0.208 4.131 4.340 -0.001 0.000 0.212 543 L C 2.306 179.230 176.870 0.090 0.000 1.075 543 L CA 1.838 56.703 54.840 0.043 0.000 0.752 543 L CB -0.357 41.712 42.059 0.017 0.000 0.891 543 L HN 0.054 nan 8.230 nan 0.000 0.432 544 K N -2.058 118.400 120.400 0.097 0.000 2.155 544 K HA -0.193 4.127 4.320 -0.001 0.000 0.203 544 K C 2.094 178.823 176.600 0.215 0.000 1.052 544 K CA 1.104 57.468 56.287 0.127 0.000 0.948 544 K CB -0.258 32.300 32.500 0.098 0.000 0.728 544 K HN 0.249 nan 8.250 nan 0.000 0.448 545 F N 1.235 121.225 119.950 0.068 0.000 2.259 545 F HA 0.109 4.635 4.527 -0.001 0.000 0.298 545 F C 1.886 177.769 175.800 0.140 0.000 1.088 545 F CA 0.597 58.648 58.000 0.086 0.000 1.358 545 F CB -0.497 38.562 39.000 0.097 0.000 1.040 545 F HN 0.073 nan 8.300 nan 0.000 0.505 546 A N 0.485 123.396 122.820 0.152 0.000 1.883 546 A HA -0.126 4.194 4.320 -0.001 0.000 0.217 546 A C 2.507 180.070 177.584 -0.034 0.000 1.186 546 A CA 2.061 54.122 52.037 0.040 0.000 0.624 546 A CB -1.544 17.544 19.000 0.147 0.000 0.822 546 A HN 0.421 nan 8.150 nan 0.000 0.444 547 A N -1.341 121.508 122.820 0.048 0.000 1.883 547 A HA -0.171 4.149 4.320 -0.001 0.000 0.217 547 A C 2.153 179.751 177.584 0.025 0.000 1.186 547 A CA 1.892 53.961 52.037 0.054 0.000 0.624 547 A CB -0.949 18.101 19.000 0.083 0.000 0.822 547 A HN 0.809 nan 8.150 nan 0.000 0.444 548 Y N 0.607 120.840 120.300 -0.112 0.000 2.097 548 Y HA -0.185 4.365 4.550 -0.001 0.000 0.282 548 Y C 1.869 177.587 175.900 -0.303 0.000 1.152 548 Y CA 2.022 60.025 58.100 -0.162 0.000 1.136 548 Y CB -0.471 37.897 38.460 -0.153 0.000 0.975 548 Y HN 0.200 nan 8.280 nan 0.000 0.498 549 L N 0.660 121.732 121.223 -0.252 0.000 2.549 549 L HA -0.133 4.206 4.340 -0.001 0.000 0.230 549 L C 2.423 179.106 176.870 -0.311 0.000 1.162 549 L CA 1.158 55.755 54.840 -0.405 0.000 0.834 549 L CB -0.535 41.179 42.059 -0.575 0.000 0.947 549 L HN 0.440 nan 8.230 nan 0.000 0.452 550 E N 1.939 121.976 120.200 -0.271 0.000 2.033 550 E HA -0.176 4.173 4.350 -0.001 0.000 0.194 550 E C 1.972 178.529 176.600 -0.073 0.000 0.960 550 E CA 0.730 57.010 56.400 -0.201 0.000 0.842 550 E CB -0.128 29.588 29.700 0.026 0.000 0.816 550 E HN 0.481 nan 8.360 nan 0.000 0.468 551 R N 0.331 120.793 120.500 -0.063 0.000 2.417 551 R HA -0.084 4.255 4.340 -0.001 0.000 0.220 551 R C 0.933 177.156 176.300 -0.129 0.000 1.128 551 R CA 1.552 57.613 56.100 -0.065 0.000 1.048 551 R CB -0.069 30.202 30.300 -0.049 0.000 0.835 551 R HN 0.183 nan 8.270 nan 0.000 0.483 552 E N -1.335 118.755 120.200 -0.183 0.000 2.653 552 E HA 0.051 4.401 4.350 -0.001 0.000 0.218 552 E C -0.052 176.620 176.600 0.119 0.000 0.911 552 E CA 0.075 56.388 56.400 -0.146 0.000 1.355 552 E CB 0.432 29.866 29.700 -0.443 0.000 1.314 552 E HN 0.361 nan 8.360 nan 0.000 0.686 553 Y N 0.522 120.697 120.300 -0.207 0.000 2.672 553 Y HA 0.307 4.857 4.550 -0.001 0.000 0.252 553 Y C 0.722 176.558 175.900 -0.106 0.000 1.132 553 Y CA -0.821 57.205 58.100 -0.124 0.000 1.228 553 Y CB 0.764 39.167 38.460 -0.096 0.000 1.310 553 Y HN -0.161 nan 8.280 nan 0.000 0.549 554 K N -1.179 119.233 120.400 0.020 0.000 3.553 554 K HA -0.203 4.117 4.320 -0.001 0.000 0.280 554 K C 0.071 176.683 176.600 0.019 0.000 1.061 554 K CA 1.386 57.698 56.287 0.041 0.000 1.101 554 K CB -1.893 30.653 32.500 0.077 0.000 1.421 554 K HN 0.141 nan 8.250 nan 0.000 0.440 555 V N 0.414 120.287 119.914 -0.068 0.000 2.715 555 V HA 0.246 4.366 4.120 -0.001 0.000 0.299 555 V C 0.343 176.245 176.094 -0.320 0.000 1.054 555 V CA -0.169 62.080 62.300 -0.085 0.000 1.077 555 V CB 0.981 32.752 31.823 -0.087 0.000 0.972 555 V HN 0.192 nan 8.190 nan 0.000 0.484 556 H N 3.513 122.562 119.070 -0.035 0.000 2.638 556 H HA 0.618 5.174 4.556 -0.001 0.000 0.317 556 H C 0.152 175.449 175.328 -0.052 0.000 1.006 556 H CA -0.445 55.582 56.048 -0.035 0.000 1.222 556 H CB 1.374 31.130 29.762 -0.011 0.000 1.419 556 H HN 0.847 nan 8.280 nan 0.000 0.489 557 I N 0.310 120.832 120.570 -0.079 0.000 2.677 557 I HA 0.429 4.598 4.170 -0.001 0.000 0.305 557 I C -0.047 176.097 176.117 0.046 0.000 0.988 557 I CA -0.937 60.319 61.300 -0.074 0.000 1.260 557 I CB 1.437 39.310 38.000 -0.213 0.000 1.410 557 I HN 0.431 nan 8.210 nan 0.000 0.523 558 N N 5.611 124.351 118.700 0.066 0.000 2.424 558 N HA 0.416 5.156 4.740 -0.001 0.000 0.271 558 N C -1.934 173.698 175.510 0.204 0.000 0.985 558 N CA -2.706 50.413 53.050 0.114 0.000 0.921 558 N CB 1.378 39.910 38.487 0.076 0.000 1.149 558 N HN 0.402 nan 8.380 nan 0.000 0.492 559 P HA -0.038 nan 4.420 nan 0.000 0.236 559 P C -0.431 176.933 177.300 0.107 0.000 1.172 559 P CA 0.972 64.176 63.100 0.174 0.000 0.759 559 P CB 0.081 31.836 31.700 0.092 0.000 0.843 560 N N -0.805 117.968 118.700 0.123 0.000 2.203 560 N HA 0.048 4.787 4.740 -0.001 0.000 0.207 560 N C -0.130 175.468 175.510 0.147 0.000 1.130 560 N CA -0.261 52.848 53.050 0.099 0.000 0.861 560 N CB 0.304 38.836 38.487 0.075 0.000 1.005 560 N HN 0.087 nan 8.380 nan 0.000 0.507 561 S N 1.040 116.853 115.700 0.188 0.000 2.610 561 S HA 0.343 4.812 4.470 -0.001 0.000 0.273 561 S C -0.078 174.580 174.600 0.096 0.000 1.274 561 S CA -1.017 57.259 58.200 0.127 0.000 1.023 561 S CB 1.210 64.460 63.200 0.084 0.000 0.962 561 S HN 0.185 nan 8.310 nan 0.000 0.523 562 L N 0.429 121.511 121.223 -0.235 0.000 2.361 562 L HA 0.496 4.835 4.340 -0.001 0.000 0.278 562 L C -0.824 176.037 176.870 -0.015 0.000 1.113 562 L CA -0.415 54.162 54.840 -0.439 0.000 0.849 562 L CB -1.049 40.275 42.059 -1.224 0.000 1.155 562 L HN 0.458 nan 8.230 nan 0.000 0.452 563 F N 3.322 123.163 119.950 -0.182 0.000 2.487 563 F HA 0.228 4.755 4.527 -0.001 0.000 0.364 563 F C 0.876 176.627 175.800 -0.082 0.000 1.126 563 F CA -0.089 57.865 58.000 -0.077 0.000 1.135 563 F CB -0.245 38.757 39.000 0.004 0.000 1.127 563 F HN 0.631 nan 8.300 nan 0.000 0.559 564 D N 4.136 124.538 120.400 0.003 0.000 2.373 564 D HA 0.369 5.008 4.640 -0.001 0.000 0.227 564 D C -1.155 175.117 176.300 -0.046 0.000 1.091 564 D CA -0.092 53.880 54.000 -0.047 0.000 0.840 564 D CB 1.398 42.149 40.800 -0.082 0.000 1.060 564 D HN 0.175 nan 8.370 nan 0.000 0.502 565 V N 4.462 124.345 119.914 -0.052 0.000 2.487 565 V HA 0.342 4.462 4.120 -0.001 0.000 0.298 565 V C -0.154 175.846 176.094 -0.156 0.000 1.028 565 V CA -0.739 61.533 62.300 -0.048 0.000 0.860 565 V CB 1.783 33.689 31.823 0.138 0.000 0.991 565 V HN 0.508 nan 8.190 nan 0.000 0.427 566 Q N 3.674 123.394 119.800 -0.133 0.000 2.337 566 Q HA 0.589 4.929 4.340 -0.001 0.000 0.264 566 Q C -1.351 174.534 176.000 -0.193 0.000 1.007 566 Q CA -0.475 55.233 55.803 -0.159 0.000 0.727 566 Q CB 2.036 30.702 28.738 -0.120 0.000 1.256 566 Q HN 0.781 nan 8.270 nan 0.000 0.467 567 V N 1.386 121.160 119.914 -0.233 0.000 2.289 567 V HA 0.667 4.786 4.120 -0.001 0.000 0.272 567 V C -0.750 175.165 176.094 -0.298 0.000 1.026 567 V CA -0.707 61.320 62.300 -0.455 0.000 0.807 567 V CB 0.871 32.141 31.823 -0.922 0.000 1.044 567 V HN 0.467 nan 8.190 nan 0.000 0.443 568 K N 2.943 123.229 120.400 -0.191 0.000 2.482 568 K HA 0.576 4.895 4.320 -0.001 0.000 0.257 568 K C -0.326 176.245 176.600 -0.049 0.000 0.969 568 K CA -0.932 55.293 56.287 -0.104 0.000 0.842 568 K CB 3.196 35.613 32.500 -0.137 0.000 1.359 568 K HN 0.940 nan 8.250 nan 0.000 0.441 569 R N 0.810 121.309 120.500 -0.002 0.000 2.522 569 R HA 0.175 4.515 4.340 -0.001 0.000 0.284 569 R C 0.350 176.698 176.300 0.079 0.000 1.032 569 R CA -0.225 55.921 56.100 0.076 0.000 1.049 569 R CB -0.091 30.275 30.300 0.109 0.000 0.956 569 R HN 0.327 nan 8.270 nan 0.000 0.422 570 I N 3.823 124.467 120.570 0.124 0.000 2.578 570 I HA 0.051 4.221 4.170 -0.001 0.000 0.286 570 I C 0.177 176.383 176.117 0.149 0.000 1.126 570 I CA 0.671 62.027 61.300 0.094 0.000 1.380 570 I CB -1.091 36.962 38.000 0.088 0.000 1.408 570 I HN 0.790 nan 8.210 nan 0.000 0.532 571 H N 3.455 122.530 119.070 0.010 0.000 3.037 571 H HA 0.202 4.757 4.556 -0.001 0.000 0.355 571 H C 0.636 175.944 175.328 -0.033 0.000 1.263 571 H CA -0.563 55.561 56.048 0.126 0.000 1.129 571 H CB 1.980 31.745 29.762 0.005 0.000 1.861 571 H HN 0.535 nan 8.280 nan 0.000 0.546 572 E N 1.012 121.451 120.200 0.399 0.000 2.017 572 E HA -0.256 4.094 4.350 -0.001 0.000 0.193 572 E C 1.410 177.900 176.600 -0.184 0.000 0.997 572 E CA 1.777 58.279 56.400 0.171 0.000 0.804 572 E CB -0.150 29.770 29.700 0.367 0.000 0.757 572 E HN 0.629 nan 8.360 nan 0.000 0.448 573 Y N 1.052 120.849 120.300 -0.839 0.000 2.446 573 Y HA -0.123 4.426 4.550 -0.001 0.000 0.287 573 Y C 1.548 177.196 175.900 -0.422 0.000 1.159 573 Y CA 0.731 58.161 58.100 -1.118 0.000 1.297 573 Y CB -0.165 37.524 38.460 -1.285 0.000 0.974 573 Y HN -0.172 nan 8.280 nan 0.000 0.557 574 K N 1.109 121.095 120.400 -0.691 0.000 2.228 574 K HA -0.007 4.312 4.320 -0.001 0.000 0.202 574 K C 0.427 176.874 176.600 -0.256 0.000 1.051 574 K CA 0.856 56.824 56.287 -0.531 0.000 0.960 574 K CB -0.239 31.972 32.500 -0.482 0.000 0.743 574 K HN 0.464 nan 8.250 nan 0.000 0.458 575 R N 1.060 121.449 120.500 -0.185 0.000 3.205 575 R HA -0.179 4.161 4.340 -0.001 0.000 0.249 575 R C 0.509 176.742 176.300 -0.111 0.000 0.937 575 R CA 0.173 56.204 56.100 -0.114 0.000 0.641 575 R CB -1.692 28.548 30.300 -0.100 0.000 1.114 575 R HN 0.174 nan 8.270 nan 0.000 0.451 576 Q N 0.161 119.904 119.800 -0.094 0.000 2.224 576 Q HA -0.029 4.311 4.340 -0.001 0.000 0.203 576 Q C 1.660 177.625 176.000 -0.057 0.000 0.970 576 Q CA 0.933 56.695 55.803 -0.068 0.000 0.865 576 Q CB 0.031 28.740 28.738 -0.048 0.000 0.922 576 Q HN 0.379 nan 8.270 nan 0.000 0.445 577 L N -0.131 121.057 121.223 -0.058 0.000 2.187 577 L HA -0.140 4.199 4.340 -0.001 0.000 0.213 577 L C 1.837 178.708 176.870 0.002 0.000 1.100 577 L CA 1.467 56.282 54.840 -0.041 0.000 0.765 577 L CB -0.779 41.258 42.059 -0.037 0.000 0.904 577 L HN 0.313 nan 8.230 nan 0.000 0.437 578 L N -1.102 120.105 121.223 -0.026 0.000 2.044 578 L HA -0.230 4.109 4.340 -0.001 0.000 0.205 578 L C 2.273 179.197 176.870 0.091 0.000 1.075 578 L CA 1.429 56.256 54.840 -0.022 0.000 0.747 578 L CB -0.194 41.678 42.059 -0.311 0.000 0.903 578 L HN 0.443 nan 8.230 nan 0.000 0.435 579 N N -1.030 117.688 118.700 0.030 0.000 2.043 579 N HA -0.253 4.487 4.740 -0.001 0.000 0.193 579 N C 2.011 177.620 175.510 0.165 0.000 1.037 579 N CA 1.864 55.034 53.050 0.200 0.000 0.851 579 N CB -0.057 38.480 38.487 0.083 0.000 1.027 579 N HN 0.374 nan 8.380 nan 0.000 0.422 580 C N 0.226 119.553 119.300 0.045 0.000 2.401 580 C HA -0.113 4.346 4.460 -0.001 0.000 0.276 580 C C 2.559 177.562 174.990 0.022 0.000 1.233 580 C CA 0.323 59.323 59.018 -0.029 0.000 1.753 580 C CB -1.227 26.449 27.740 -0.107 0.000 2.029 580 C HN 0.511 nan 8.230 nan 0.000 0.478 581 L N -0.064 121.236 121.223 0.128 0.000 2.141 581 L HA -0.108 4.231 4.340 -0.001 0.000 0.209 581 L C 2.543 179.612 176.870 0.332 0.000 1.094 581 L CA 1.816 56.785 54.840 0.214 0.000 0.763 581 L CB -1.162 41.064 42.059 0.278 0.000 0.908 581 L HN 0.547 nan 8.230 nan 0.000 0.437 582 H N -0.779 118.445 119.070 0.257 0.000 2.535 582 H HA -0.001 4.554 4.556 -0.001 0.000 0.273 582 H C 1.866 177.223 175.328 0.049 0.000 0.983 582 H CA 1.419 57.553 56.048 0.144 0.000 1.238 582 H CB 0.610 30.410 29.762 0.063 0.000 1.412 582 H HN 0.265 nan 8.280 nan 0.000 0.562 583 V N -1.158 118.688 119.914 -0.113 0.000 2.649 583 V HA -0.064 4.056 4.120 -0.001 0.000 0.248 583 V C 2.487 178.524 176.094 -0.095 0.000 1.054 583 V CA 0.865 63.044 62.300 -0.202 0.000 1.073 583 V CB -0.632 31.101 31.823 -0.149 0.000 0.699 583 V HN 0.211 nan 8.190 nan 0.000 0.463 584 I N 1.289 121.845 120.570 -0.023 0.000 2.252 584 I HA -0.183 3.986 4.170 -0.001 0.000 0.245 584 I C 2.746 178.965 176.117 0.170 0.000 1.102 584 I CA 1.995 63.371 61.300 0.126 0.000 1.385 584 I CB -0.813 37.267 38.000 0.134 0.000 1.064 584 I HN 0.277 nan 8.210 nan 0.000 0.414 585 T N 1.342 115.959 114.554 0.106 0.000 2.720 585 T HA -0.136 4.214 4.350 -0.001 0.000 0.268 585 T C 1.850 176.554 174.700 0.006 0.000 1.037 585 T CA 1.225 63.380 62.100 0.092 0.000 1.144 585 T CB -0.177 68.788 68.868 0.161 0.000 0.864 585 T HN 0.063 nan 8.240 nan 0.000 0.444 586 L N 0.106 121.269 121.223 -0.099 0.000 2.046 586 L HA 0.006 4.346 4.340 -0.001 0.000 0.208 586 L C 2.080 178.955 176.870 0.008 0.000 1.077 586 L CA 1.430 56.204 54.840 -0.110 0.000 0.747 586 L CB -1.422 40.495 42.059 -0.237 0.000 0.896 586 L HN 0.310 nan 8.230 nan 0.000 0.432 587 Y N 0.887 121.157 120.300 -0.051 0.000 2.097 587 Y HA -0.272 4.278 4.550 -0.001 0.000 0.282 587 Y C 2.424 178.343 175.900 0.032 0.000 1.152 587 Y CA 2.045 60.156 58.100 0.017 0.000 1.136 587 Y CB -0.627 37.898 38.460 0.109 0.000 0.975 587 Y HN 0.332 nan 8.280 nan 0.000 0.498 588 N N -0.629 118.067 118.700 -0.006 0.000 2.166 588 N HA -0.181 4.559 4.740 -0.001 0.000 0.186 588 N C 1.914 177.337 175.510 -0.145 0.000 1.019 588 N CA 0.852 53.821 53.050 -0.136 0.000 0.856 588 N CB -0.119 38.364 38.487 -0.007 0.000 0.993 588 N HN 0.251 nan 8.380 nan 0.000 0.426 589 R N 0.818 121.265 120.500 -0.087 0.000 2.062 589 R HA 0.018 4.358 4.340 -0.001 0.000 0.231 589 R C 2.083 178.319 176.300 -0.108 0.000 1.136 589 R CA 1.031 57.082 56.100 -0.083 0.000 0.948 589 R CB -0.211 30.052 30.300 -0.062 0.000 0.845 589 R HN 0.204 nan 8.270 nan 0.000 0.430 590 I N 0.800 121.299 120.570 -0.119 0.000 2.163 590 I HA -0.320 3.850 4.170 -0.001 0.000 0.243 590 I C 2.131 178.160 176.117 -0.147 0.000 1.085 590 I CA 1.235 62.465 61.300 -0.116 0.000 1.347 590 I CB -0.280 37.670 38.000 -0.083 0.000 1.044 590 I HN 0.076 nan 8.210 nan 0.000 0.408 591 K N 0.961 121.210 120.400 -0.252 0.000 2.063 591 K HA -0.235 4.085 4.320 -0.001 0.000 0.208 591 K C 2.106 178.610 176.600 -0.160 0.000 1.048 591 K CA 1.467 57.599 56.287 -0.257 0.000 0.928 591 K CB -0.363 31.877 32.500 -0.433 0.000 0.713 591 K HN 0.310 nan 8.250 nan 0.000 0.442 592 K N 0.942 121.255 120.400 -0.146 0.000 2.057 592 K HA -0.109 4.210 4.320 -0.001 0.000 0.206 592 K C 0.096 176.652 176.600 -0.074 0.000 1.050 592 K CA 1.185 57.410 56.287 -0.102 0.000 0.935 592 K CB 0.264 32.709 32.500 -0.091 0.000 0.715 592 K HN 0.108 nan 8.250 nan 0.000 0.439 593 E N 0.371 120.530 120.200 -0.069 0.000 3.374 593 E HA 0.109 4.459 4.350 -0.001 0.000 0.223 593 E C -2.270 174.305 176.600 -0.043 0.000 1.210 593 E CA -1.438 54.934 56.400 -0.047 0.000 0.987 593 E CB 1.522 31.200 29.700 -0.036 0.000 1.322 593 E HN 0.176 nan 8.360 nan 0.000 0.404 594 P HA -0.126 nan 4.420 nan 0.000 0.234 594 P C 0.059 177.350 177.300 -0.015 0.000 1.162 594 P CA 0.896 63.975 63.100 -0.034 0.000 0.759 594 P CB 0.262 31.945 31.700 -0.028 0.000 0.813 595 N N -0.753 117.943 118.700 -0.007 0.000 2.171 595 N HA 0.041 4.780 4.740 -0.001 0.000 0.212 595 N C 0.601 176.129 175.510 0.030 0.000 1.184 595 N CA -0.233 52.826 53.050 0.015 0.000 0.888 595 N CB 0.932 39.427 38.487 0.014 0.000 1.038 595 N HN 0.241 nan 8.380 nan 0.000 0.517 596 K N 1.339 121.746 120.400 0.011 0.000 2.270 596 K HA 0.074 4.394 4.320 -0.001 0.000 0.276 596 K C -0.509 176.113 176.600 0.036 0.000 1.023 596 K CA -0.436 55.871 56.287 0.032 0.000 0.955 596 K CB 0.688 33.188 32.500 0.001 0.000 0.975 596 K HN -0.173 nan 8.250 nan 0.000 0.471 597 F N 5.341 125.286 119.950 -0.008 0.000 2.484 597 F HA 0.239 4.765 4.527 -0.001 0.000 0.360 597 F C -0.546 175.251 175.800 -0.006 0.000 1.101 597 F CA -0.248 57.748 58.000 -0.006 0.000 1.251 597 F CB 0.599 39.596 39.000 -0.004 0.000 1.132 597 F HN 0.219 nan 8.300 nan 0.000 0.570 598 V N 4.316 123.574 119.914 -1.094 0.000 2.914 598 V HA 0.658 4.777 4.120 -0.001 0.000 0.314 598 V C -0.861 174.528 176.094 -1.175 0.000 1.084 598 V CA -1.148 60.655 62.300 -0.828 0.000 0.963 598 V CB 1.155 32.748 31.823 -0.383 0.000 1.025 598 V HN 0.632 nan 8.190 nan 0.000 0.432 599 V N 4.615 124.182 119.914 -0.579 0.000 2.488 599 V HA 0.331 4.451 4.120 -0.001 0.000 0.277 599 V C -1.726 174.256 176.094 -0.187 0.000 1.046 599 V CA -1.082 61.075 62.300 -0.238 0.000 0.986 599 V CB 1.030 32.883 31.823 0.049 0.000 0.989 599 V HN 0.955 nan 8.190 nan 0.000 0.475 600 P HA 0.282 nan 4.420 nan 0.000 0.268 600 P C -0.673 176.569 177.300 -0.097 0.000 1.205 600 P CA -0.230 62.818 63.100 -0.087 0.000 0.771 600 P CB 0.878 32.564 31.700 -0.024 0.000 0.858 601 R N 0.782 121.214 120.500 -0.113 0.000 2.686 601 R HA 0.538 4.878 4.340 -0.001 0.000 0.283 601 R C -0.588 175.630 176.300 -0.137 0.000 0.978 601 R CA -0.541 55.477 56.100 -0.136 0.000 0.897 601 R CB 2.035 32.244 30.300 -0.152 0.000 1.192 601 R HN 0.352 nan 8.270 nan 0.000 0.457 602 T N 1.931 116.382 114.554 -0.171 0.000 2.772 602 T HA 0.323 4.672 4.350 -0.001 0.000 0.288 602 T C -0.620 173.941 174.700 -0.232 0.000 0.994 602 T CA -0.549 61.392 62.100 -0.264 0.000 0.951 602 T CB 1.385 69.940 68.868 -0.522 0.000 0.933 602 T HN 0.094 nan 8.240 nan 0.000 0.447 603 V N 5.493 125.298 119.914 -0.183 0.000 2.370 603 V HA 0.476 4.595 4.120 -0.001 0.000 0.283 603 V C -0.170 175.844 176.094 -0.134 0.000 1.023 603 V CA -0.538 61.680 62.300 -0.136 0.000 0.857 603 V CB 1.177 32.936 31.823 -0.106 0.000 0.985 603 V HN 0.867 nan 8.190 nan 0.000 0.443 604 M N 6.760 126.286 119.600 -0.122 0.000 2.190 604 M HA 0.614 5.093 4.480 -0.001 0.000 0.312 604 M C -1.115 175.114 176.300 -0.119 0.000 0.990 604 M CA -0.196 55.032 55.300 -0.120 0.000 0.927 604 M CB 2.047 34.584 32.600 -0.106 0.000 1.571 604 M HN 0.403 nan 8.290 nan 0.000 0.427 605 I N 1.955 122.440 120.570 -0.141 0.000 2.498 605 I HA 0.801 4.970 4.170 -0.001 0.000 0.290 605 I C 0.061 175.931 176.117 -0.411 0.000 1.032 605 I CA -0.657 60.552 61.300 -0.152 0.000 1.073 605 I CB 2.288 40.293 38.000 0.008 0.000 1.251 605 I HN 0.791 nan 8.210 nan 0.000 0.426 606 G N 3.030 111.587 108.800 -0.406 0.000 2.659 606 G HA2 0.848 4.807 3.960 -0.001 0.000 0.296 606 G HA3 0.848 4.807 3.960 -0.001 0.000 0.296 606 G C -1.005 173.731 174.900 -0.274 0.000 1.369 606 G CA -0.857 43.914 45.100 -0.547 0.000 0.937 606 G HN 0.972 nan 8.290 nan 0.000 0.485 607 G N -0.255 108.523 108.800 -0.037 0.000 2.358 607 G HA2 0.427 4.387 3.960 -0.001 0.000 0.303 607 G HA3 0.427 4.387 3.960 -0.001 0.000 0.303 607 G C -1.455 173.601 174.900 0.260 0.000 1.537 607 G CA -1.012 44.154 45.100 0.111 0.000 0.928 607 G HN 0.581 nan 8.290 nan 0.000 0.656 608 K N 0.022 120.572 120.400 0.251 0.000 2.138 608 K HA 0.722 5.041 4.320 -0.001 0.000 0.263 608 K C 0.054 176.835 176.600 0.301 0.000 0.965 608 K CA -0.443 56.025 56.287 0.302 0.000 0.868 608 K CB 2.274 34.905 32.500 0.220 0.000 1.083 608 K HN 0.806 nan 8.250 nan 0.000 0.443 609 A N 1.780 124.794 122.820 0.323 0.000 2.292 609 A HA 0.574 4.894 4.320 -0.001 0.000 0.319 609 A C -0.185 177.567 177.584 0.279 0.000 1.206 609 A CA -0.650 51.532 52.037 0.241 0.000 0.835 609 A CB 0.809 19.883 19.000 0.124 0.000 1.164 609 A HN 0.801 nan 8.150 nan 0.000 0.505 610 A N 4.839 127.814 122.820 0.259 0.000 2.546 610 A HA 0.491 4.811 4.320 -0.001 0.000 0.243 610 A C -1.923 175.709 177.584 0.080 0.000 1.063 610 A CA -0.798 51.355 52.037 0.194 0.000 0.757 610 A CB -0.575 18.515 19.000 0.151 0.000 0.991 610 A HN 0.676 nan 8.150 nan 0.000 0.503 611 P HA 0.145 nan 4.420 nan 0.000 0.267 611 P C 0.928 178.228 177.300 0.000 0.000 1.200 611 P CA 1.433 64.467 63.100 -0.110 0.000 0.772 611 P CB 0.687 32.246 31.700 -0.235 0.000 0.855 612 G N 1.094 109.909 108.800 0.026 0.000 2.199 612 G HA2 -0.272 3.687 3.960 -0.001 0.000 0.254 612 G HA3 -0.272 3.687 3.960 -0.001 0.000 0.254 612 G C -0.348 174.646 174.900 0.156 0.000 0.982 612 G CA -0.019 45.118 45.100 0.062 0.000 0.632 612 G HN 0.615 nan 8.290 nan 0.000 0.529 613 Y N 1.599 121.904 120.300 0.009 0.000 2.491 613 Y HA 0.633 5.183 4.550 -0.001 0.000 0.334 613 Y C 1.168 177.107 175.900 0.065 0.000 0.969 613 Y CA -1.332 56.776 58.100 0.013 0.000 1.241 613 Y CB 0.522 38.949 38.460 -0.055 0.000 1.105 613 Y HN 0.265 nan 8.280 nan 0.000 0.503 614 H N 4.116 123.231 119.070 0.076 0.000 2.293 614 H HA -0.173 4.383 4.556 -0.001 0.000 0.300 614 H C 1.940 177.177 175.328 -0.150 0.000 1.082 614 H CA 2.876 58.915 56.048 -0.015 0.000 1.308 614 H CB 0.219 30.000 29.762 0.032 0.000 1.375 614 H HN 0.672 nan 8.280 nan 0.000 0.495 615 M N 0.329 119.770 119.600 -0.266 0.000 2.149 615 M HA -0.090 4.389 4.480 -0.001 0.000 0.261 615 M C 2.310 178.260 176.300 -0.583 0.000 1.064 615 M CA 1.863 56.921 55.300 -0.404 0.000 1.102 615 M CB -0.766 31.687 32.600 -0.245 0.000 1.369 615 M HN 0.385 nan 8.290 nan 0.000 0.408 616 A N -0.685 121.524 122.820 -1.019 0.000 1.930 616 A HA -0.167 4.153 4.320 -0.001 0.000 0.217 616 A C 2.166 179.556 177.584 -0.325 0.000 1.175 616 A CA 1.767 53.401 52.037 -0.672 0.000 0.627 616 A CB -0.567 18.068 19.000 -0.609 0.000 0.815 616 A HN 0.590 nan 8.150 nan 0.000 0.443 617 K N -1.076 119.176 120.400 -0.246 0.000 2.296 617 K HA 0.031 4.350 4.320 -0.001 0.000 0.200 617 K C 1.788 178.310 176.600 -0.130 0.000 1.048 617 K CA 0.904 57.130 56.287 -0.101 0.000 0.966 617 K CB -0.123 32.397 32.500 0.034 0.000 0.754 617 K HN 0.312 nan 8.250 nan 0.000 0.466 618 M N 0.450 119.913 119.600 -0.228 0.000 2.200 618 M HA -0.053 4.426 4.480 -0.001 0.000 0.265 618 M C 2.057 178.260 176.300 -0.163 0.000 1.066 618 M CA 1.430 56.621 55.300 -0.183 0.000 1.127 618 M CB -0.617 31.850 32.600 -0.221 0.000 1.379 618 M HN 0.095 nan 8.290 nan 0.000 0.420 619 I N 0.094 120.539 120.570 -0.209 0.000 2.226 619 I HA -0.297 3.872 4.170 -0.001 0.000 0.245 619 I C 2.222 178.187 176.117 -0.252 0.000 1.100 619 I CA 1.108 62.283 61.300 -0.208 0.000 1.374 619 I CB -0.359 37.531 38.000 -0.184 0.000 1.057 619 I HN 0.181 nan 8.210 nan 0.000 0.413 620 I N 0.433 120.824 120.570 -0.298 0.000 2.394 620 I HA -0.228 3.941 4.170 -0.001 0.000 0.251 620 I C 2.476 178.292 176.117 -0.503 0.000 1.136 620 I CA 0.994 61.989 61.300 -0.509 0.000 1.425 620 I CB -0.408 37.270 38.000 -0.537 0.000 1.079 620 I HN 0.154 nan 8.210 nan 0.000 0.425 621 K N 1.721 121.878 120.400 -0.405 0.000 2.217 621 K HA -0.143 4.176 4.320 -0.001 0.000 0.202 621 K C 1.938 178.409 176.600 -0.215 0.000 1.051 621 K CA 1.162 57.169 56.287 -0.467 0.000 0.952 621 K CB -0.302 31.706 32.500 -0.819 0.000 0.736 621 K HN 0.186 nan 8.250 nan 0.000 0.453 622 L N 0.366 121.451 121.223 -0.229 0.000 2.072 622 L HA 0.071 4.410 4.340 -0.001 0.000 0.205 622 L C 1.872 178.476 176.870 -0.443 0.000 1.079 622 L CA 1.404 55.908 54.840 -0.560 0.000 0.752 622 L CB -0.281 41.374 42.059 -0.674 0.000 0.906 622 L HN 0.208 nan 8.230 nan 0.000 0.436 623 I N -0.200 120.173 120.570 -0.329 0.000 2.099 623 I HA -0.358 3.811 4.170 -0.001 0.000 0.239 623 I C 2.463 178.454 176.117 -0.210 0.000 1.066 623 I CA 2.082 63.241 61.300 -0.235 0.000 1.324 623 I CB -1.002 36.924 38.000 -0.124 0.000 1.037 623 I HN 0.481 nan 8.210 nan 0.000 0.401 624 T N -0.640 113.781 114.554 -0.221 0.000 2.881 624 T HA -0.084 4.266 4.350 -0.001 0.000 0.270 624 T C 1.917 176.532 174.700 -0.142 0.000 1.068 624 T CA 0.945 62.953 62.100 -0.154 0.000 1.131 624 T CB -0.495 68.260 68.868 -0.187 0.000 0.871 624 T HN 0.378 nan 8.240 nan 0.000 0.479 625 A N 2.259 124.986 122.820 -0.156 0.000 1.845 625 A HA 0.089 4.408 4.320 -0.001 0.000 0.215 625 A C 2.401 179.888 177.584 -0.161 0.000 1.195 625 A CA 1.503 53.490 52.037 -0.082 0.000 0.616 625 A CB -0.928 18.101 19.000 0.047 0.000 0.832 625 A HN 0.566 nan 8.150 nan 0.000 0.443 626 I N -0.050 120.290 120.570 -0.383 0.000 2.185 626 I HA -0.291 3.878 4.170 -0.001 0.000 0.246 626 I C 2.650 178.586 176.117 -0.301 0.000 1.088 626 I CA 1.328 62.308 61.300 -0.532 0.000 1.347 626 I CB -0.894 36.731 38.000 -0.625 0.000 1.041 626 I HN 0.425 nan 8.210 nan 0.000 0.415 627 G N 0.556 109.225 108.800 -0.219 0.000 2.418 627 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.217 627 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.217 627 G C 1.251 176.065 174.900 -0.142 0.000 1.158 627 G CA 0.908 45.906 45.100 -0.170 0.000 0.771 627 G HN 0.299 nan 8.290 nan 0.000 0.545 628 D N 0.146 120.505 120.400 -0.067 0.000 2.149 628 D HA -0.084 4.556 4.640 -0.001 0.000 0.198 628 D C 2.708 179.049 176.300 0.068 0.000 0.990 628 D CA 0.734 54.765 54.000 0.051 0.000 0.839 628 D CB -0.270 40.555 40.800 0.042 0.000 0.948 628 D HN 0.246 nan 8.370 nan 0.000 0.460 629 V N 0.444 120.332 119.914 -0.043 0.000 2.239 629 V HA -0.181 3.938 4.120 -0.001 0.000 0.236 629 V C 2.669 178.652 176.094 -0.185 0.000 1.040 629 V CA 0.889 63.132 62.300 -0.095 0.000 0.996 629 V CB -0.835 30.939 31.823 -0.082 0.000 0.640 629 V HN -0.006 nan 8.190 nan 0.000 0.456 630 V N 1.157 120.862 119.914 -0.349 0.000 2.236 630 V HA -0.351 3.769 4.120 -0.001 0.000 0.255 630 V C 2.236 178.212 176.094 -0.197 0.000 1.068 630 V CA 2.604 64.680 62.300 -0.372 0.000 1.044 630 V CB -1.035 30.583 31.823 -0.342 0.000 0.653 630 V HN 0.617 nan 8.190 nan 0.000 0.448 631 N N -0.973 117.568 118.700 -0.265 0.000 2.585 631 N HA -0.113 4.627 4.740 -0.001 0.000 0.188 631 N C 1.300 176.540 175.510 -0.449 0.000 1.102 631 N CA 0.935 53.770 53.050 -0.358 0.000 0.920 631 N CB -0.285 37.907 38.487 -0.492 0.000 0.963 631 N HN 0.631 nan 8.380 nan 0.000 0.447 632 H N -1.289 117.768 119.070 -0.021 0.000 2.784 632 H HA 0.168 4.723 4.556 -0.001 0.000 0.273 632 H C -0.503 174.841 175.328 0.026 0.000 1.112 632 H CA -0.399 55.649 56.048 0.001 0.000 1.162 632 H CB 0.270 30.026 29.762 -0.010 0.000 1.586 632 H HN 0.184 nan 8.280 nan 0.000 0.548 633 D N 3.433 123.910 120.400 0.128 0.000 2.365 633 D HA 0.067 4.706 4.640 -0.001 0.000 0.237 633 D C -1.106 175.270 176.300 0.127 0.000 1.190 633 D CA -1.740 52.359 54.000 0.164 0.000 0.867 633 D CB 1.579 42.556 40.800 0.294 0.000 1.050 633 D HN 0.036 nan 8.370 nan 0.000 0.491 634 P HA -0.212 nan 4.420 nan 0.000 0.218 634 P C 1.490 178.826 177.300 0.061 0.000 1.146 634 P CA 0.684 63.826 63.100 0.071 0.000 0.813 634 P CB 0.093 31.828 31.700 0.058 0.000 0.778 635 V N -1.167 118.786 119.914 0.064 0.000 2.809 635 V HA -0.092 4.027 4.120 -0.001 0.000 0.256 635 V C 2.205 178.323 176.094 0.040 0.000 1.080 635 V CA 1.268 63.591 62.300 0.038 0.000 1.102 635 V CB -0.924 30.907 31.823 0.014 0.000 0.705 635 V HN -0.102 nan 8.190 nan 0.000 0.475 636 V N 1.237 121.202 119.914 0.085 0.000 2.453 636 V HA 0.196 4.316 4.120 -0.001 0.000 0.247 636 V C 1.945 178.065 176.094 0.042 0.000 1.048 636 V CA 1.495 63.848 62.300 0.088 0.000 1.049 636 V CB -1.200 30.734 31.823 0.185 0.000 0.672 636 V HN 1.045 nan 8.190 nan 0.000 0.457 637 G N 1.434 110.260 108.800 0.043 0.000 2.578 637 G HA2 -0.351 3.609 3.960 -0.001 0.000 0.275 637 G HA3 -0.351 3.609 3.960 -0.001 0.000 0.275 637 G C 0.172 175.081 174.900 0.016 0.000 1.271 637 G CA 0.348 45.465 45.100 0.028 0.000 0.941 637 G HN 0.681 nan 8.290 nan 0.000 0.564 638 D N 0.129 120.536 120.400 0.012 0.000 2.690 638 D HA 0.225 4.865 4.640 -0.001 0.000 0.236 638 D C 1.595 177.890 176.300 -0.009 0.000 1.218 638 D CA -0.085 53.918 54.000 0.004 0.000 0.829 638 D CB -0.014 40.797 40.800 0.019 0.000 1.009 638 D HN 0.561 nan 8.370 nan 0.000 0.482 639 R N -0.844 119.644 120.500 -0.020 0.000 2.265 639 R HA 0.324 4.663 4.340 -0.001 0.000 0.194 639 R C -0.149 176.113 176.300 -0.063 0.000 0.931 639 R CA -0.018 56.053 56.100 -0.048 0.000 1.032 639 R CB 0.526 30.787 30.300 -0.064 0.000 0.980 639 R HN 0.110 nan 8.270 nan 0.000 0.497 640 L N 0.223 121.415 121.223 -0.053 0.000 2.676 640 L HA 0.412 4.751 4.340 -0.001 0.000 0.262 640 L C -1.911 174.908 176.870 -0.086 0.000 0.932 640 L CA -0.724 54.072 54.840 -0.073 0.000 0.932 640 L CB 1.768 43.797 42.059 -0.049 0.000 1.355 640 L HN -0.198 nan 8.230 nan 0.000 0.421 641 R N 3.444 123.873 120.500 -0.119 0.000 2.513 641 R HA 0.844 5.184 4.340 -0.001 0.000 0.301 641 R C -2.002 174.203 176.300 -0.158 0.000 0.968 641 R CA -0.502 55.513 56.100 -0.142 0.000 0.872 641 R CB 2.035 32.249 30.300 -0.143 0.000 1.177 641 R HN 0.392 nan 8.270 nan 0.000 0.444 642 V N 6.335 126.155 119.914 -0.156 0.000 2.417 642 V HA 0.531 4.651 4.120 -0.001 0.000 0.291 642 V C -0.405 175.629 176.094 -0.101 0.000 1.024 642 V CA -0.683 61.535 62.300 -0.136 0.000 0.861 642 V CB 1.530 33.267 31.823 -0.143 0.000 0.985 642 V HN 0.667 nan 8.190 nan 0.000 0.436 643 I N 5.212 125.731 120.570 -0.085 0.000 2.418 643 I HA 0.398 4.568 4.170 -0.001 0.000 0.287 643 I C -0.721 175.411 176.117 0.025 0.000 1.008 643 I CA -0.268 61.012 61.300 -0.033 0.000 1.104 643 I CB 1.655 39.587 38.000 -0.112 0.000 1.264 643 I HN 0.567 nan 8.210 nan 0.000 0.438 644 F N 7.727 127.684 119.950 0.011 0.000 2.350 644 F HA 0.481 5.007 4.527 -0.001 0.000 0.365 644 F C -0.442 175.447 175.800 0.147 0.000 1.122 644 F CA -0.540 57.479 58.000 0.032 0.000 1.139 644 F CB 0.436 39.436 39.000 0.000 0.000 1.220 644 F HN 0.218 nan 8.300 nan 0.000 0.499 645 L N 6.586 127.538 121.223 -0.451 0.000 2.456 645 L HA 0.107 4.447 4.340 -0.001 0.000 0.277 645 L C 0.608 177.421 176.870 -0.095 0.000 1.124 645 L CA 0.089 54.888 54.840 -0.070 0.000 0.880 645 L CB 0.102 42.115 42.059 -0.077 0.000 1.192 645 L HN 0.623 nan 8.230 nan 0.000 0.463 646 E N 4.896 125.247 120.200 0.251 0.000 2.343 646 E HA -0.040 4.310 4.350 -0.001 0.000 0.269 646 E C 0.180 176.921 176.600 0.235 0.000 1.047 646 E CA -0.615 55.925 56.400 0.234 0.000 0.874 646 E CB 0.734 30.539 29.700 0.176 0.000 1.033 646 E HN 0.566 nan 8.360 nan 0.000 0.409 647 N N 2.228 121.061 118.700 0.221 0.000 2.705 647 N HA -0.284 4.456 4.740 -0.001 0.000 0.255 647 N C -1.453 174.156 175.510 0.164 0.000 1.008 647 N CA 0.567 53.720 53.050 0.172 0.000 0.742 647 N CB -1.785 36.780 38.487 0.130 0.000 0.906 647 N HN 0.531 nan 8.380 nan 0.000 0.541 648 Y N 1.554 121.890 120.300 0.061 0.000 2.721 648 Y HA 0.102 4.652 4.550 -0.001 0.000 0.329 648 Y C 1.119 177.043 175.900 0.039 0.000 1.211 648 Y CA 0.663 58.785 58.100 0.037 0.000 1.512 648 Y CB 0.307 38.774 38.460 0.012 0.000 1.249 648 Y HN 0.397 nan 8.280 nan 0.000 0.549 649 R N 2.805 122.982 120.500 -0.539 0.000 2.766 649 R HA 0.460 4.799 4.340 -0.001 0.000 0.270 649 R C -0.479 175.461 176.300 -0.599 0.000 1.035 649 R CA -0.556 55.252 56.100 -0.486 0.000 0.911 649 R CB 0.448 30.584 30.300 -0.274 0.000 1.243 649 R HN 0.398 nan 8.270 nan 0.000 0.460 650 V N 1.180 120.799 119.914 -0.491 0.000 2.282 650 V HA -0.299 3.821 4.120 -0.001 0.000 0.249 650 V C 2.512 178.475 176.094 -0.219 0.000 1.057 650 V CA 2.870 64.999 62.300 -0.285 0.000 1.032 650 V CB -0.863 30.784 31.823 -0.293 0.000 0.645 650 V HN 0.920 nan 8.190 nan 0.000 0.447 651 S N 0.211 115.781 115.700 -0.217 0.000 2.399 651 S HA -0.189 4.281 4.470 -0.001 0.000 0.231 651 S C 1.899 176.422 174.600 -0.129 0.000 1.022 651 S CA 1.688 59.796 58.200 -0.153 0.000 0.983 651 S CB -0.583 62.552 63.200 -0.108 0.000 0.803 651 S HN 0.430 nan 8.310 nan 0.000 0.480 652 L N 1.906 123.041 121.223 -0.147 0.000 2.109 652 L HA 0.257 4.597 4.340 -0.001 0.000 0.207 652 L C 2.616 179.408 176.870 -0.129 0.000 1.086 652 L CA 1.458 56.232 54.840 -0.110 0.000 0.760 652 L CB -1.106 40.941 42.059 -0.021 0.000 0.910 652 L HN 0.314 nan 8.230 nan 0.000 0.437 653 A N -0.689 122.033 122.820 -0.164 0.000 1.902 653 A HA -0.225 4.094 4.320 -0.001 0.000 0.217 653 A C 2.143 179.735 177.584 0.013 0.000 1.181 653 A CA 1.769 53.807 52.037 0.000 0.000 0.623 653 A CB -0.659 18.342 19.000 0.001 0.000 0.818 653 A HN 0.591 nan 8.150 nan 0.000 0.443 654 E N -0.273 119.930 120.200 0.004 0.000 2.209 654 E HA -0.210 4.139 4.350 -0.001 0.000 0.196 654 E C 1.888 178.407 176.600 -0.136 0.000 0.993 654 E CA 1.397 57.763 56.400 -0.057 0.000 0.819 654 E CB -0.112 29.483 29.700 -0.174 0.000 0.745 654 E HN 0.644 nan 8.360 nan 0.000 0.477 655 K N 0.024 120.298 120.400 -0.211 0.000 2.166 655 K HA 0.009 4.329 4.320 -0.001 0.000 0.201 655 K C 2.138 178.328 176.600 -0.683 0.000 1.052 655 K CA 0.459 56.543 56.287 -0.337 0.000 0.969 655 K CB 0.168 32.481 32.500 -0.311 0.000 0.761 655 K HN -0.038 nan 8.250 nan 0.000 0.459 656 V N 1.598 121.062 119.914 -0.749 0.000 2.446 656 V HA -0.082 4.038 4.120 -0.001 0.000 0.244 656 V C 1.845 177.683 176.094 -0.426 0.000 1.039 656 V CA 0.979 62.748 62.300 -0.885 0.000 1.045 656 V CB -0.103 31.385 31.823 -0.558 0.000 0.681 656 V HN 0.216 nan 8.190 nan 0.000 0.459 657 I N 0.886 121.243 120.570 -0.355 0.000 2.163 657 I HA -0.142 4.027 4.170 -0.001 0.000 0.243 657 I C -0.172 175.790 176.117 -0.258 0.000 1.085 657 I CA 1.744 62.766 61.300 -0.463 0.000 1.347 657 I CB -1.829 35.824 38.000 -0.578 0.000 1.044 657 I HN 0.350 nan 8.210 nan 0.000 0.408 658 P HA -0.189 nan 4.420 nan 0.000 0.221 658 P C 0.675 177.913 177.300 -0.103 0.000 1.141 658 P CA 1.518 64.547 63.100 -0.117 0.000 0.794 658 P CB 0.022 31.659 31.700 -0.106 0.000 0.764 659 A N -2.117 120.626 122.820 -0.128 0.000 2.470 659 A HA 0.576 4.896 4.320 -0.001 0.000 0.251 659 A C 0.931 178.504 177.584 -0.019 0.000 1.245 659 A CA -0.010 51.965 52.037 -0.103 0.000 0.932 659 A CB -0.212 18.747 19.000 -0.069 0.000 1.037 659 A HN 0.167 nan 8.150 nan 0.000 0.522 660 A N -0.063 122.800 122.820 0.073 0.000 2.388 660 A HA 0.486 4.806 4.320 -0.001 0.000 0.257 660 A C 0.379 178.083 177.584 0.200 0.000 1.095 660 A CA -0.093 52.079 52.037 0.225 0.000 0.791 660 A CB 0.333 19.590 19.000 0.429 0.000 1.029 660 A HN 0.270 nan 8.150 nan 0.000 0.489 661 D N 0.333 120.855 120.400 0.204 0.000 2.490 661 D HA 0.120 4.759 4.640 -0.001 0.000 0.244 661 D C -0.080 176.383 176.300 0.273 0.000 0.979 661 D CA 0.841 54.994 54.000 0.255 0.000 0.924 661 D CB 0.226 41.074 40.800 0.080 0.000 1.075 661 D HN 0.395 nan 8.370 nan 0.000 0.488 662 L N 0.206 121.498 121.223 0.115 0.000 2.362 662 L HA 0.415 4.755 4.340 -0.001 0.000 0.271 662 L C -0.808 175.966 176.870 -0.160 0.000 1.002 662 L CA -0.457 54.388 54.840 0.007 0.000 0.818 662 L CB 2.278 44.312 42.059 -0.041 0.000 1.298 662 L HN -0.294 nan 8.230 nan 0.000 0.420 663 S N 3.082 118.599 115.700 -0.306 0.000 2.438 663 S HA 0.426 4.896 4.470 -0.001 0.000 0.316 663 S C -0.673 173.691 174.600 -0.392 0.000 1.084 663 S CA -0.650 57.159 58.200 -0.651 0.000 1.107 663 S CB 0.317 63.006 63.200 -0.852 0.000 0.981 663 S HN 0.619 nan 8.310 nan 0.000 0.466 664 E N 3.866 123.862 120.200 -0.340 0.000 2.029 664 E HA 0.144 4.493 4.350 -0.001 0.000 0.276 664 E C -0.383 176.130 176.600 -0.145 0.000 1.163 664 E CA -0.115 56.191 56.400 -0.156 0.000 0.909 664 E CB 0.688 30.323 29.700 -0.107 0.000 1.046 664 E HN 0.562 nan 8.360 nan 0.000 0.406 665 Q N 2.656 122.422 119.800 -0.057 0.000 2.773 665 Q HA 0.234 4.573 4.340 -0.001 0.000 0.373 665 Q C 0.764 176.771 176.000 0.013 0.000 0.940 665 Q CA -0.136 55.642 55.803 -0.043 0.000 1.015 665 Q CB 0.020 28.741 28.738 -0.028 0.000 1.349 665 Q HN 0.584 nan 8.270 nan 0.000 0.413 666 I N -2.567 118.011 120.570 0.014 0.000 3.805 666 I HA 0.340 4.510 4.170 -0.001 0.000 0.337 666 I C -0.095 176.002 176.117 -0.033 0.000 1.539 666 I CA -0.396 60.942 61.300 0.063 0.000 1.176 666 I CB 0.458 38.516 38.000 0.097 0.000 1.248 666 I HN -0.178 nan 8.210 nan 0.000 0.437 667 S N 1.174 116.831 115.700 -0.071 0.000 2.603 667 S HA 0.228 4.698 4.470 -0.001 0.000 0.268 667 S C 0.585 175.170 174.600 -0.025 0.000 1.317 667 S CA -0.314 57.844 58.200 -0.070 0.000 1.012 667 S CB 0.917 64.073 63.200 -0.074 0.000 0.926 667 S HN 0.431 nan 8.310 nan 0.000 0.539 668 T N 2.951 117.528 114.554 0.037 0.000 2.905 668 T HA 0.196 4.546 4.350 -0.001 0.000 0.299 668 T C 0.509 175.225 174.700 0.027 0.000 1.024 668 T CA -0.071 62.066 62.100 0.061 0.000 1.151 668 T CB 0.032 69.016 68.868 0.194 0.000 0.987 668 T HN 0.738 nan 8.240 nan 0.000 0.535 669 A N 2.714 125.521 122.820 -0.021 0.000 2.524 669 A HA 0.510 4.830 4.320 -0.001 0.000 0.250 669 A C 1.555 179.134 177.584 -0.008 0.000 1.078 669 A CA 0.200 52.215 52.037 -0.036 0.000 0.761 669 A CB -0.701 18.265 19.000 -0.057 0.000 1.012 669 A HN 1.586 nan 8.150 nan 0.000 0.500 670 G N 1.473 110.267 108.800 -0.011 0.000 2.184 670 G HA2 -0.202 3.758 3.960 -0.001 0.000 0.206 670 G HA3 -0.202 3.758 3.960 -0.001 0.000 0.206 670 G C 0.757 175.650 174.900 -0.013 0.000 0.995 670 G CA 0.970 46.063 45.100 -0.012 0.000 0.651 670 G HN 1.866 nan 8.290 nan 0.000 0.511 671 T N -2.525 112.036 114.554 0.012 0.000 3.001 671 T HA 0.491 4.840 4.350 -0.001 0.000 0.251 671 T C 0.441 175.106 174.700 -0.059 0.000 1.040 671 T CA 0.843 62.919 62.100 -0.039 0.000 0.985 671 T CB 0.958 69.865 68.868 0.064 0.000 1.011 671 T HN 0.183 nan 8.240 nan 0.000 0.509 672 E N 0.764 120.966 120.200 0.003 0.000 2.092 672 E HA 0.746 5.096 4.350 -0.001 0.000 0.271 672 E C 0.748 177.322 176.600 -0.043 0.000 0.919 672 E CA -0.221 56.187 56.400 0.014 0.000 0.760 672 E CB 1.294 31.014 29.700 0.033 0.000 1.106 672 E HN 0.240 nan 8.360 nan 0.000 0.408 673 A N 2.877 125.639 122.820 -0.096 0.000 1.872 673 A HA -0.008 4.311 4.320 -0.001 0.000 0.214 673 A C 1.496 179.067 177.584 -0.023 0.000 1.187 673 A CA 1.616 53.564 52.037 -0.149 0.000 0.614 673 A CB 0.036 18.793 19.000 -0.405 0.000 0.826 673 A HN 0.533 nan 8.150 nan 0.000 0.442 674 S N -3.541 112.160 115.700 0.002 0.000 4.019 674 S HA 0.535 5.004 4.470 -0.001 0.000 0.199 674 S C -0.167 174.443 174.600 0.017 0.000 1.177 674 S CA 0.876 59.100 58.200 0.039 0.000 1.478 674 S CB 0.682 63.933 63.200 0.085 0.000 1.580 674 S HN 1.881 nan 8.310 nan 0.000 0.766 675 G N 1.460 110.271 108.800 0.019 0.000 2.220 675 G HA2 0.097 4.056 3.960 -0.001 0.000 0.221 675 G HA3 0.097 4.056 3.960 -0.001 0.000 0.221 675 G C 0.209 175.097 174.900 -0.019 0.000 2.189 675 G CA 0.544 45.642 45.100 -0.003 0.000 1.153 675 G HN 1.002 nan 8.290 nan 0.000 0.621 676 T N -1.614 112.927 114.554 -0.021 0.000 3.023 676 T HA 0.135 4.485 4.350 -0.001 0.000 0.266 676 T C 2.497 177.124 174.700 -0.122 0.000 1.093 676 T CA 1.852 63.919 62.100 -0.055 0.000 1.129 676 T CB 0.222 69.060 68.868 -0.049 0.000 0.899 676 T HN 1.285 nan 8.240 nan 0.000 0.491 677 G N 1.814 110.558 108.800 -0.093 0.000 2.448 677 G HA2 -0.216 3.744 3.960 -0.001 0.000 0.219 677 G HA3 -0.216 3.744 3.960 -0.001 0.000 0.219 677 G C 1.486 176.442 174.900 0.093 0.000 1.127 677 G CA 0.731 45.792 45.100 -0.065 0.000 0.766 677 G HN 0.522 nan 8.290 nan 0.000 0.552 678 N N 0.770 119.497 118.700 0.046 0.000 2.058 678 N HA -0.085 4.654 4.740 -0.001 0.000 0.191 678 N C 2.247 177.776 175.510 0.032 0.000 1.037 678 N CA 1.457 54.538 53.050 0.051 0.000 0.848 678 N CB -0.366 38.103 38.487 -0.030 0.000 1.021 678 N HN 0.331 nan 8.380 nan 0.000 0.422 679 M N 0.361 119.917 119.600 -0.073 0.000 2.213 679 M HA -0.079 4.401 4.480 -0.001 0.000 0.263 679 M C 1.770 178.044 176.300 -0.043 0.000 1.062 679 M CA 1.286 56.531 55.300 -0.091 0.000 1.105 679 M CB -0.206 32.350 32.600 -0.074 0.000 1.385 679 M HN 0.019 nan 8.290 nan 0.000 0.417 680 K N 0.350 120.667 120.400 -0.138 0.000 2.032 680 K HA -0.132 4.187 4.320 -0.001 0.000 0.209 680 K C 1.642 178.152 176.600 -0.151 0.000 1.048 680 K CA 1.673 57.813 56.287 -0.245 0.000 0.927 680 K CB -0.302 31.867 32.500 -0.551 0.000 0.712 680 K HN 0.141 nan 8.250 nan 0.000 0.441 681 F N 0.650 120.544 119.950 -0.092 0.000 2.171 681 F HA -0.142 4.385 4.527 -0.001 0.000 0.300 681 F C 2.484 178.252 175.800 -0.053 0.000 1.090 681 F CA 1.259 59.220 58.000 -0.065 0.000 1.293 681 F CB -0.232 38.720 39.000 -0.081 0.000 1.013 681 F HN 0.042 nan 8.300 nan 0.000 0.486 682 M N -0.387 119.285 119.600 0.121 0.000 2.099 682 M HA -0.192 4.288 4.480 -0.001 0.000 0.262 682 M C 2.198 178.534 176.300 0.059 0.000 1.067 682 M CA 1.662 56.998 55.300 0.061 0.000 1.124 682 M CB -0.359 32.268 32.600 0.045 0.000 1.353 682 M HN 0.222 nan 8.290 nan 0.000 0.410 683 L N 0.412 121.675 121.223 0.066 0.000 2.131 683 L HA -0.211 4.129 4.340 -0.001 0.000 0.210 683 L C 0.604 177.496 176.870 0.037 0.000 1.092 683 L CA 1.402 56.281 54.840 0.064 0.000 0.759 683 L CB -0.378 41.735 42.059 0.091 0.000 0.903 683 L HN 0.423 nan 8.230 nan 0.000 0.435 684 N N -0.450 118.266 118.700 0.026 0.000 2.295 684 N HA 0.173 4.913 4.740 -0.001 0.000 0.221 684 N C 0.621 176.142 175.510 0.018 0.000 1.129 684 N CA 0.677 53.731 53.050 0.007 0.000 0.836 684 N CB 0.883 39.353 38.487 -0.028 0.000 1.040 684 N HN 0.285 nan 8.380 nan 0.000 0.494 685 G N -0.834 107.983 108.800 0.028 0.000 2.132 685 G HA2 -0.159 3.801 3.960 -0.001 0.000 0.228 685 G HA3 -0.159 3.801 3.960 -0.001 0.000 0.228 685 G C 0.023 174.973 174.900 0.083 0.000 1.000 685 G CA 0.033 45.153 45.100 0.033 0.000 0.693 685 G HN 0.543 nan 8.290 nan 0.000 0.515 686 A N -0.488 122.395 122.820 0.104 0.000 2.311 686 A HA 0.921 5.241 4.320 -0.001 0.000 0.334 686 A C 0.269 177.839 177.584 -0.023 0.000 1.139 686 A CA -0.628 51.486 52.037 0.129 0.000 0.830 686 A CB 1.086 20.235 19.000 0.248 0.000 1.234 686 A HN 0.728 nan 8.150 nan 0.000 0.483 687 L N 0.318 121.481 121.223 -0.101 0.000 2.352 687 L HA 0.540 4.879 4.340 -0.001 0.000 0.269 687 L C 0.001 176.725 176.870 -0.243 0.000 1.034 687 L CA -0.541 54.157 54.840 -0.236 0.000 0.806 687 L CB 1.939 43.814 42.059 -0.307 0.000 1.244 687 L HN 0.679 nan 8.230 nan 0.000 0.447 688 T N 2.244 116.552 114.554 -0.409 0.000 2.779 688 T HA 0.464 4.814 4.350 -0.001 0.000 0.280 688 T C -0.448 174.182 174.700 -0.117 0.000 0.987 688 T CA -0.248 61.624 62.100 -0.381 0.000 0.966 688 T CB 1.556 70.051 68.868 -0.622 0.000 0.933 688 T HN 0.345 nan 8.240 nan 0.000 0.442 689 I N 3.008 123.571 120.570 -0.011 0.000 2.321 689 I HA 0.699 4.868 4.170 -0.001 0.000 0.291 689 I C 0.140 176.430 176.117 0.289 0.000 0.998 689 I CA 0.172 61.590 61.300 0.196 0.000 1.227 689 I CB 0.277 38.301 38.000 0.040 0.000 1.368 689 I HN 0.786 nan 8.210 nan 0.000 0.466 690 G N 3.922 112.948 108.800 0.377 0.000 2.601 690 G HA2 0.405 4.365 3.960 -0.001 0.000 0.291 690 G HA3 0.405 4.365 3.960 -0.001 0.000 0.291 690 G C -0.888 173.933 174.900 -0.131 0.000 1.456 690 G CA -0.500 44.708 45.100 0.180 0.000 0.804 690 G HN 0.588 nan 8.290 nan 0.000 0.499 691 T N -1.573 112.783 114.554 -0.331 0.000 2.860 691 T HA 0.431 4.781 4.350 -0.001 0.000 0.299 691 T C 0.660 175.239 174.700 -0.202 0.000 1.045 691 T CA -0.331 61.518 62.100 -0.419 0.000 1.071 691 T CB 1.257 69.909 68.868 -0.360 0.000 0.985 691 T HN 0.594 nan 8.240 nan 0.000 0.537 692 M N 2.956 122.446 119.600 -0.183 0.000 2.974 692 M HA 0.418 4.898 4.480 -0.001 0.000 0.301 692 M C -1.082 175.151 176.300 -0.112 0.000 1.409 692 M CA -0.482 54.733 55.300 -0.141 0.000 1.515 692 M CB -1.666 30.858 32.600 -0.126 0.000 1.163 692 M HN 0.797 nan 8.290 nan 0.000 0.520 693 D N 2.238 122.578 120.400 -0.099 0.000 2.717 693 D HA 0.681 5.320 4.640 -0.001 0.000 0.223 693 D C 0.273 176.542 176.300 -0.052 0.000 1.240 693 D CA 0.881 54.840 54.000 -0.067 0.000 0.801 693 D CB 1.320 42.081 40.800 -0.064 0.000 1.556 693 D HN 0.714 nan 8.370 nan 0.000 0.462 694 G N 1.410 110.191 108.800 -0.031 0.000 2.582 694 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.288 694 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.288 694 G C 1.233 176.120 174.900 -0.023 0.000 1.247 694 G CA 0.977 46.068 45.100 -0.016 0.000 0.972 694 G HN 1.345 nan 8.290 nan 0.000 0.557 695 A N -0.560 122.244 122.820 -0.026 0.000 2.084 695 A HA -0.115 4.204 4.320 -0.001 0.000 0.221 695 A C 2.164 179.678 177.584 -0.117 0.000 1.161 695 A CA 2.463 54.461 52.037 -0.066 0.000 0.653 695 A CB -0.539 18.404 19.000 -0.095 0.000 0.802 695 A HN 0.704 nan 8.150 nan 0.000 0.457 696 N N 0.062 118.713 118.700 -0.081 0.000 2.289 696 N HA -0.099 4.641 4.740 -0.001 0.000 0.184 696 N C 1.599 176.937 175.510 -0.287 0.000 1.016 696 N CA 1.392 54.371 53.050 -0.118 0.000 0.872 696 N CB -0.500 37.963 38.487 -0.040 0.000 0.973 696 N HN 0.329 nan 8.380 nan 0.000 0.433 697 V N 1.351 121.158 119.914 -0.179 0.000 2.221 697 V HA -0.188 3.932 4.120 -0.001 0.000 0.242 697 V C 1.963 177.972 176.094 -0.142 0.000 1.041 697 V CA 1.597 63.794 62.300 -0.171 0.000 0.995 697 V CB -0.575 31.193 31.823 -0.092 0.000 0.635 697 V HN 0.224 nan 8.190 nan 0.000 0.448 698 E N -0.676 119.505 120.200 -0.030 0.000 2.267 698 E HA -0.224 4.126 4.350 -0.001 0.000 0.197 698 E C 2.084 178.786 176.600 0.171 0.000 0.998 698 E CA 1.279 57.743 56.400 0.106 0.000 0.830 698 E CB -0.191 29.667 29.700 0.263 0.000 0.751 698 E HN 0.535 nan 8.360 nan 0.000 0.491 699 M N -0.510 119.046 119.600 -0.073 0.000 2.160 699 M HA -0.063 4.417 4.480 -0.001 0.000 0.264 699 M C 2.360 178.574 176.300 -0.142 0.000 1.073 699 M CA 1.317 56.569 55.300 -0.080 0.000 1.142 699 M CB -0.018 32.523 32.600 -0.097 0.000 1.358 699 M HN 0.148 nan 8.290 nan 0.000 0.422 700 A N 0.024 122.440 122.820 -0.673 0.000 1.940 700 A HA -0.237 4.083 4.320 -0.001 0.000 0.219 700 A C 1.965 179.404 177.584 -0.242 0.000 1.176 700 A CA 2.071 53.647 52.037 -0.768 0.000 0.631 700 A CB -0.845 17.636 19.000 -0.865 0.000 0.814 700 A HN 0.602 nan 8.150 nan 0.000 0.446 701 E N -0.731 119.378 120.200 -0.150 0.000 2.106 701 E HA -0.232 4.118 4.350 -0.001 0.000 0.192 701 E C 1.841 178.449 176.600 0.012 0.000 0.984 701 E CA 1.424 57.794 56.400 -0.051 0.000 0.806 701 E CB -0.060 29.623 29.700 -0.027 0.000 0.750 701 E HN 0.560 nan 8.360 nan 0.000 0.458 702 E N -0.180 120.069 120.200 0.082 0.000 2.122 702 E HA 0.053 4.402 4.350 -0.001 0.000 0.190 702 E C 1.555 178.215 176.600 0.099 0.000 0.977 702 E CA 1.104 57.568 56.400 0.107 0.000 0.820 702 E CB 0.011 29.838 29.700 0.212 0.000 0.770 702 E HN 0.330 nan 8.360 nan 0.000 0.462 703 A N -0.270 122.625 122.820 0.124 0.000 2.123 703 A HA 0.396 4.715 4.320 -0.001 0.000 0.214 703 A C 0.987 178.621 177.584 0.083 0.000 1.152 703 A CA 0.806 52.923 52.037 0.133 0.000 0.728 703 A CB -0.362 18.783 19.000 0.242 0.000 0.814 703 A HN 0.262 nan 8.150 nan 0.000 0.464 704 G N -0.306 108.519 108.800 0.042 0.000 3.439 704 G HA2 -0.130 3.829 3.960 -0.001 0.000 0.684 704 G HA3 -0.130 3.829 3.960 -0.001 0.000 0.684 704 G C 0.055 174.961 174.900 0.010 0.000 1.005 704 G CA 0.255 45.361 45.100 0.009 0.000 0.837 704 G HN 0.316 nan 8.290 nan 0.000 0.470 705 E N 0.769 120.945 120.200 -0.040 0.000 2.233 705 E HA -0.307 4.043 4.350 -0.001 0.000 0.210 705 E C 2.231 178.822 176.600 -0.016 0.000 1.046 705 E CA 2.676 59.047 56.400 -0.048 0.000 0.844 705 E CB 0.043 29.703 29.700 -0.067 0.000 0.741 705 E HN 0.876 nan 8.360 nan 0.000 0.465 706 E N -0.028 120.150 120.200 -0.036 0.000 2.204 706 E HA -0.140 4.210 4.350 -0.001 0.000 0.195 706 E C 1.146 177.666 176.600 -0.133 0.000 0.990 706 E CA 1.105 57.458 56.400 -0.077 0.000 0.821 706 E CB -0.072 29.593 29.700 -0.059 0.000 0.750 706 E HN 0.227 nan 8.360 nan 0.000 0.477 707 N N -0.408 118.254 118.700 -0.063 0.000 2.383 707 N HA 0.100 4.839 4.740 -0.001 0.000 0.192 707 N C -0.852 174.573 175.510 -0.142 0.000 1.141 707 N CA 0.234 53.221 53.050 -0.105 0.000 0.851 707 N CB 0.224 38.698 38.487 -0.023 0.000 0.976 707 N HN 0.066 nan 8.380 nan 0.000 0.465 708 F N -0.375 119.393 119.950 -0.303 0.000 2.546 708 F HA 0.410 4.937 4.527 -0.001 0.000 0.320 708 F C -0.702 174.881 175.800 -0.361 0.000 1.076 708 F CA -1.110 56.761 58.000 -0.216 0.000 0.928 708 F CB 1.283 40.220 39.000 -0.105 0.000 1.189 708 F HN -0.230 nan 8.300 nan 0.000 0.465 709 F N 5.565 125.574 119.950 0.099 0.000 2.291 709 F HA 0.376 4.903 4.527 -0.001 0.000 0.368 709 F C -0.314 175.653 175.800 0.278 0.000 1.085 709 F CA -0.665 57.425 58.000 0.150 0.000 1.165 709 F CB 0.135 39.181 39.000 0.076 0.000 1.429 709 F HN 0.012 nan 8.300 nan 0.000 0.503 710 I N 4.702 125.478 120.570 0.344 0.000 2.365 710 I HA 0.264 4.433 4.170 -0.001 0.000 0.291 710 I C 0.025 176.272 176.117 0.218 0.000 1.004 710 I CA -0.479 60.951 61.300 0.217 0.000 1.311 710 I CB 0.397 38.437 38.000 0.066 0.000 1.401 710 I HN 0.382 nan 8.210 nan 0.000 0.491 711 F N 3.392 123.419 119.950 0.128 0.000 2.814 711 F HA 0.919 5.445 4.527 -0.001 0.000 0.353 711 F C 0.569 176.417 175.800 0.080 0.000 1.177 711 F CA -0.627 57.437 58.000 0.107 0.000 1.036 711 F CB 0.255 39.335 39.000 0.134 0.000 1.455 711 F HN 0.697 nan 8.300 nan 0.000 0.520 712 G N 0.648 109.580 108.800 0.221 0.000 2.749 712 G HA2 -0.211 3.748 3.960 -0.001 0.000 0.242 712 G HA3 -0.211 3.748 3.960 -0.001 0.000 0.242 712 G C -0.485 174.410 174.900 -0.010 0.000 1.364 712 G CA -0.242 44.925 45.100 0.111 0.000 0.888 712 G HN 0.922 nan 8.290 nan 0.000 0.566 713 M N 0.276 119.880 119.600 0.005 0.000 2.219 713 M HA 0.276 4.756 4.480 -0.001 0.000 0.307 713 M C 1.177 177.448 176.300 -0.049 0.000 1.116 713 M CA 0.418 55.717 55.300 -0.002 0.000 1.181 713 M CB 0.213 32.823 32.600 0.017 0.000 1.410 713 M HN 0.552 nan 8.290 nan 0.000 0.454 714 R N 0.405 120.889 120.500 -0.027 0.000 2.856 714 R HA 0.378 4.718 4.340 -0.001 0.000 0.258 714 R C 1.021 177.306 176.300 -0.026 0.000 1.066 714 R CA -0.665 55.411 56.100 -0.039 0.000 1.045 714 R CB 0.538 30.821 30.300 -0.029 0.000 1.178 714 R HN 0.553 nan 8.270 nan 0.000 0.499 715 V N 1.525 121.421 119.914 -0.029 0.000 2.313 715 V HA -0.311 3.809 4.120 -0.001 0.000 0.253 715 V C 1.779 177.866 176.094 -0.012 0.000 1.070 715 V CA 2.134 64.421 62.300 -0.021 0.000 1.057 715 V CB -0.444 31.365 31.823 -0.023 0.000 0.653 715 V HN 0.659 nan 8.190 nan 0.000 0.450 716 E N -0.032 120.162 120.200 -0.009 0.000 2.106 716 E HA -0.152 4.198 4.350 -0.001 0.000 0.192 716 E C 1.924 178.530 176.600 0.011 0.000 0.984 716 E CA 1.224 57.624 56.400 -0.000 0.000 0.806 716 E CB -0.353 29.347 29.700 -0.000 0.000 0.750 716 E HN 0.641 nan 8.360 nan 0.000 0.458 717 D N -0.376 120.033 120.400 0.014 0.000 2.149 717 D HA -0.115 4.524 4.640 -0.001 0.000 0.201 717 D C 2.028 178.350 176.300 0.037 0.000 0.972 717 D CA 1.064 55.084 54.000 0.033 0.000 0.835 717 D CB -0.274 40.550 40.800 0.040 0.000 0.966 717 D HN 0.211 nan 8.370 nan 0.000 0.476 718 V N 0.748 120.673 119.914 0.018 0.000 2.488 718 V HA -0.127 3.992 4.120 -0.001 0.000 0.246 718 V C 1.348 177.449 176.094 0.011 0.000 1.046 718 V CA 1.604 63.910 62.300 0.010 0.000 1.053 718 V CB -0.197 31.615 31.823 -0.018 0.000 0.679 718 V HN -0.129 nan 8.190 nan 0.000 0.458 719 D N 0.275 120.679 120.400 0.006 0.000 2.178 719 D HA -0.153 4.486 4.640 -0.001 0.000 0.202 719 D C 2.247 178.560 176.300 0.021 0.000 0.974 719 D CA 1.498 55.502 54.000 0.006 0.000 0.841 719 D CB -0.201 40.599 40.800 0.001 0.000 0.953 719 D HN 0.459 nan 8.370 nan 0.000 0.478 720 R N 0.025 120.543 120.500 0.030 0.000 2.070 720 R HA -0.094 4.245 4.340 -0.001 0.000 0.233 720 R C 2.184 178.520 176.300 0.059 0.000 1.137 720 R CA 0.603 56.727 56.100 0.040 0.000 0.945 720 R CB -0.471 29.855 30.300 0.044 0.000 0.845 720 R HN 0.053 nan 8.270 nan 0.000 0.430 721 L N 1.253 122.524 121.223 0.080 0.000 2.079 721 L HA -0.209 4.131 4.340 -0.001 0.000 0.210 721 L C 1.170 178.108 176.870 0.113 0.000 1.081 721 L CA 1.921 56.837 54.840 0.125 0.000 0.752 721 L CB -0.557 41.602 42.059 0.167 0.000 0.896 721 L HN 0.224 nan 8.230 nan 0.000 0.433 722 D N -1.153 119.287 120.400 0.068 0.000 2.149 722 D HA -0.167 4.472 4.640 -0.001 0.000 0.201 722 D C 2.106 178.435 176.300 0.047 0.000 0.972 722 D CA 1.045 55.076 54.000 0.052 0.000 0.835 722 D CB 0.054 40.861 40.800 0.012 0.000 0.966 722 D HN 0.556 nan 8.370 nan 0.000 0.476 723 Q N 0.361 120.185 119.800 0.040 0.000 2.119 723 Q HA -0.137 4.203 4.340 -0.001 0.000 0.201 723 Q C 2.196 178.221 176.000 0.041 0.000 0.972 723 Q CA 1.114 56.937 55.803 0.033 0.000 0.847 723 Q CB -0.119 28.635 28.738 0.027 0.000 0.903 723 Q HN 0.262 nan 8.270 nan 0.000 0.433 724 R N 0.295 120.827 120.500 0.053 0.000 2.119 724 R HA 0.117 4.457 4.340 -0.001 0.000 0.222 724 R C 0.343 176.678 176.300 0.059 0.000 1.088 724 R CA 1.140 57.271 56.100 0.052 0.000 0.984 724 R CB 0.054 30.388 30.300 0.057 0.000 0.884 724 R HN 0.085 nan 8.270 nan 0.000 0.447 725 G N -0.266 108.584 108.800 0.083 0.000 3.014 725 G HA2 -0.136 3.824 3.960 -0.001 0.000 0.683 725 G HA3 -0.136 3.824 3.960 -0.001 0.000 0.683 725 G C -1.730 173.266 174.900 0.159 0.000 1.271 725 G CA -0.406 44.752 45.100 0.097 0.000 0.843 725 G HN 0.296 nan 8.290 nan 0.000 0.612 726 Y N 3.205 123.539 120.300 0.057 0.000 2.393 726 Y HA 0.612 5.162 4.550 -0.001 0.000 0.338 726 Y C 0.195 176.159 175.900 0.107 0.000 1.029 726 Y CA -1.110 57.047 58.100 0.095 0.000 1.239 726 Y CB 1.182 39.676 38.460 0.056 0.000 1.170 726 Y HN 0.605 nan 8.280 nan 0.000 0.515 727 N N 5.119 123.674 118.700 -0.243 0.000 2.626 727 N HA 0.275 5.015 4.740 -0.001 0.000 0.242 727 N C 0.352 175.638 175.510 -0.374 0.000 1.005 727 N CA 0.274 53.181 53.050 -0.237 0.000 0.905 727 N CB 1.145 39.577 38.487 -0.091 0.000 1.128 727 N HN 0.825 nan 8.380 nan 0.000 0.512 728 A N 2.757 125.257 122.820 -0.533 0.000 2.032 728 A HA -0.231 4.088 4.320 -0.001 0.000 0.221 728 A C 1.888 179.562 177.584 0.149 0.000 1.165 728 A CA 1.543 53.436 52.037 -0.240 0.000 0.645 728 A CB -0.363 18.603 19.000 -0.057 0.000 0.807 728 A HN 0.690 nan 8.150 nan 0.000 0.453 729 Q N 0.094 119.881 119.800 -0.022 0.000 2.061 729 Q HA -0.200 4.140 4.340 -0.001 0.000 0.204 729 Q C 1.850 177.875 176.000 0.043 0.000 0.984 729 Q CA 2.232 58.028 55.803 -0.012 0.000 0.846 729 Q CB -0.384 28.319 28.738 -0.058 0.000 0.902 729 Q HN 0.787 nan 8.270 nan 0.000 0.421 730 E N -1.190 118.980 120.200 -0.050 0.000 2.086 730 E HA -0.256 4.094 4.350 -0.001 0.000 0.200 730 E C 1.909 178.384 176.600 -0.208 0.000 1.012 730 E CA 1.645 57.944 56.400 -0.169 0.000 0.812 730 E CB -0.354 29.151 29.700 -0.324 0.000 0.743 730 E HN 0.493 nan 8.360 nan 0.000 0.453 731 Y N -0.694 119.615 120.300 0.015 0.000 2.163 731 Y HA -0.250 4.300 4.550 -0.001 0.000 0.288 731 Y C 2.320 178.198 175.900 -0.038 0.000 1.136 731 Y CA 1.567 59.678 58.100 0.019 0.000 1.147 731 Y CB -0.656 37.850 38.460 0.077 0.000 0.987 731 Y HN 0.160 nan 8.280 nan 0.000 0.509 732 Y N 1.206 121.475 120.300 -0.053 0.000 2.181 732 Y HA -0.237 4.312 4.550 -0.001 0.000 0.288 732 Y C 1.889 177.719 175.900 -0.116 0.000 1.146 732 Y CA 1.734 59.715 58.100 -0.199 0.000 1.164 732 Y CB -0.444 37.915 38.460 -0.168 0.000 0.982 732 Y HN 0.081 nan 8.280 nan 0.000 0.515 733 D N 0.157 120.657 120.400 0.168 0.000 2.144 733 D HA -0.170 4.470 4.640 -0.001 0.000 0.199 733 D C 2.067 178.344 176.300 -0.038 0.000 0.984 733 D CA 1.764 55.805 54.000 0.067 0.000 0.834 733 D CB -0.284 40.559 40.800 0.071 0.000 0.955 733 D HN 0.631 nan 8.370 nan 0.000 0.465 734 R N 0.255 120.727 120.500 -0.046 0.000 2.300 734 R HA 0.177 4.517 4.340 -0.001 0.000 0.199 734 R C 0.481 176.749 176.300 -0.053 0.000 0.920 734 R CA 0.156 56.225 56.100 -0.051 0.000 1.046 734 R CB 0.037 30.304 30.300 -0.055 0.000 0.984 734 R HN 0.058 nan 8.270 nan 0.000 0.493 735 I N 2.359 122.877 120.570 -0.086 0.000 2.388 735 I HA 0.277 4.446 4.170 -0.001 0.000 0.281 735 I C -1.948 174.068 176.117 -0.167 0.000 1.046 735 I CA -2.800 58.454 61.300 -0.076 0.000 1.187 735 I CB 1.934 39.929 38.000 -0.007 0.000 1.351 735 I HN -0.192 nan 8.210 nan 0.000 0.472 736 P HA -0.260 nan 4.420 nan 0.000 0.218 736 P C 1.183 178.398 177.300 -0.141 0.000 1.165 736 P CA 1.754 64.771 63.100 -0.139 0.000 0.922 736 P CB 0.248 31.899 31.700 -0.082 0.000 0.794 737 E N -1.528 118.631 120.200 -0.068 0.000 2.204 737 E HA -0.157 4.192 4.350 -0.001 0.000 0.194 737 E C 1.892 178.424 176.600 -0.112 0.000 0.989 737 E CA 0.468 56.843 56.400 -0.040 0.000 0.824 737 E CB -0.537 29.202 29.700 0.066 0.000 0.756 737 E HN 0.109 nan 8.360 nan 0.000 0.477 738 L N 1.149 122.234 121.223 -0.230 0.000 2.027 738 L HA -0.145 4.195 4.340 -0.001 0.000 0.206 738 L C 2.167 178.798 176.870 -0.399 0.000 1.074 738 L CA 1.639 56.209 54.840 -0.450 0.000 0.745 738 L CB -0.160 41.513 42.059 -0.643 0.000 0.898 738 L HN -0.087 nan 8.230 nan 0.000 0.433 739 R N -0.824 119.363 120.500 -0.520 0.000 2.103 739 R HA -0.257 4.082 4.340 -0.001 0.000 0.242 739 R C 2.307 178.455 176.300 -0.254 0.000 1.142 739 R CA 1.991 57.725 56.100 -0.611 0.000 0.960 739 R CB -0.478 29.454 30.300 -0.613 0.000 0.858 739 R HN 0.603 nan 8.270 nan 0.000 0.439 740 Q N 0.861 120.551 119.800 -0.184 0.000 2.084 740 Q HA -0.176 4.164 4.340 -0.001 0.000 0.202 740 Q C 1.995 177.962 176.000 -0.055 0.000 0.978 740 Q CA 1.493 57.230 55.803 -0.110 0.000 0.844 740 Q CB -0.040 28.637 28.738 -0.102 0.000 0.898 740 Q HN 0.365 nan 8.270 nan 0.000 0.426 741 I N 0.765 121.313 120.570 -0.037 0.000 2.163 741 I HA -0.280 3.889 4.170 -0.001 0.000 0.240 741 I C 2.253 178.436 176.117 0.110 0.000 1.081 741 I CA 0.692 62.028 61.300 0.060 0.000 1.353 741 I CB -0.333 37.689 38.000 0.037 0.000 1.054 741 I HN 0.255 nan 8.210 nan 0.000 0.407 742 I N 0.924 121.560 120.570 0.111 0.000 2.264 742 I HA -0.277 3.892 4.170 -0.001 0.000 0.248 742 I C 2.455 178.681 176.117 0.181 0.000 1.111 742 I CA 1.710 63.135 61.300 0.208 0.000 1.382 742 I CB -1.290 36.929 38.000 0.366 0.000 1.060 742 I HN 0.359 nan 8.210 nan 0.000 0.418 743 E N 0.439 120.714 120.200 0.124 0.000 2.058 743 E HA -0.258 4.092 4.350 -0.001 0.000 0.194 743 E C 2.224 178.872 176.600 0.080 0.000 0.997 743 E CA 1.344 57.795 56.400 0.084 0.000 0.801 743 E CB -0.144 29.564 29.700 0.014 0.000 0.746 743 E HN 0.561 nan 8.360 nan 0.000 0.450 744 Q N 0.111 119.950 119.800 0.066 0.000 2.124 744 Q HA -0.145 4.194 4.340 -0.001 0.000 0.202 744 Q C 2.347 178.498 176.000 0.252 0.000 0.977 744 Q CA 0.994 56.844 55.803 0.079 0.000 0.850 744 Q CB -0.054 28.714 28.738 0.050 0.000 0.901 744 Q HN 0.338 nan 8.270 nan 0.000 0.429 745 L N -0.053 121.345 121.223 0.291 0.000 2.072 745 L HA -0.131 4.208 4.340 -0.001 0.000 0.205 745 L C 2.379 179.418 176.870 0.282 0.000 1.079 745 L CA 0.864 55.901 54.840 0.329 0.000 0.752 745 L CB -0.340 41.867 42.059 0.247 0.000 0.906 745 L HN 0.131 nan 8.230 nan 0.000 0.436 746 S N -0.053 115.773 115.700 0.210 0.000 2.402 746 S HA -0.122 4.348 4.470 -0.001 0.000 0.229 746 S C 1.883 176.575 174.600 0.152 0.000 1.021 746 S CA 1.385 59.688 58.200 0.171 0.000 0.974 746 S CB -0.250 63.034 63.200 0.139 0.000 0.800 746 S HN 0.562 nan 8.310 nan 0.000 0.484 747 S N 0.755 116.544 115.700 0.149 0.000 2.701 747 S HA 0.375 4.844 4.470 -0.001 0.000 0.220 747 S C 1.431 176.115 174.600 0.140 0.000 0.954 747 S CA 0.332 58.605 58.200 0.122 0.000 0.936 747 S CB -0.460 62.793 63.200 0.089 0.000 0.777 747 S HN 0.722 nan 8.310 nan 0.000 0.518 748 G N 0.963 109.864 108.800 0.168 0.000 2.166 748 G HA2 -0.381 3.579 3.960 -0.001 0.000 0.260 748 G HA3 -0.381 3.579 3.960 -0.001 0.000 0.260 748 G C 0.272 175.266 174.900 0.157 0.000 0.986 748 G CA 0.381 45.571 45.100 0.150 0.000 0.683 748 G HN 0.581 nan 8.290 nan 0.000 0.527 749 F N 0.422 120.372 119.950 0.001 0.000 2.102 749 F HA 0.185 4.712 4.527 -0.001 0.000 0.298 749 F C 1.924 177.624 175.800 -0.167 0.000 1.105 749 F CA 1.743 59.651 58.000 -0.152 0.000 1.239 749 F CB -0.242 38.557 39.000 -0.334 0.000 0.991 749 F HN 0.131 nan 8.300 nan 0.000 0.474 750 F N 0.042 119.987 119.950 -0.009 0.000 2.732 750 F HA 0.174 4.701 4.527 -0.001 0.000 0.303 750 F C 0.986 176.816 175.800 0.050 0.000 1.110 750 F CA 0.382 58.308 58.000 -0.123 0.000 1.355 750 F CB -0.489 38.480 39.000 -0.051 0.000 1.081 750 F HN 0.019 nan 8.300 nan 0.000 0.565 751 S N -1.622 114.200 115.700 0.203 0.000 2.701 751 S HA 0.220 4.689 4.470 -0.001 0.000 0.228 751 S C -1.957 172.666 174.600 0.038 0.000 0.948 751 S CA -0.892 57.381 58.200 0.122 0.000 1.129 751 S CB 0.298 63.544 63.200 0.077 0.000 1.352 751 S HN -0.095 nan 8.310 nan 0.000 0.446 752 P HA -0.295 nan 4.420 nan 0.000 0.217 752 P C 1.684 178.991 177.300 0.013 0.000 1.162 752 P CA 1.868 64.973 63.100 0.008 0.000 0.901 752 P CB -0.012 31.680 31.700 -0.014 0.000 0.793 753 K N 0.642 121.045 120.400 0.006 0.000 2.057 753 K HA -0.151 4.169 4.320 -0.001 0.000 0.207 753 K C 0.842 177.446 176.600 0.005 0.000 1.049 753 K CA 1.350 57.641 56.287 0.007 0.000 0.931 753 K CB -1.092 31.413 32.500 0.007 0.000 0.714 753 K HN 0.300 nan 8.250 nan 0.000 0.440 754 Q N 1.209 121.006 119.800 -0.005 0.000 2.506 754 Q HA 0.250 4.590 4.340 -0.001 0.000 0.242 754 Q C -2.185 173.804 176.000 -0.018 0.000 1.060 754 Q CA -1.958 53.835 55.803 -0.016 0.000 0.826 754 Q CB 2.074 30.792 28.738 -0.033 0.000 1.169 754 Q HN 0.033 nan 8.270 nan 0.000 0.521 755 P HA -0.199 nan 4.420 nan 0.000 0.216 755 P C 0.378 177.707 177.300 0.048 0.000 1.150 755 P CA 1.297 64.423 63.100 0.042 0.000 0.837 755 P CB 0.269 31.997 31.700 0.046 0.000 0.786 756 D N -1.509 118.906 120.400 0.025 0.000 2.325 756 D HA -0.014 4.626 4.640 -0.001 0.000 0.225 756 D C 1.625 177.920 176.300 -0.009 0.000 1.096 756 D CA -0.183 53.837 54.000 0.033 0.000 0.844 756 D CB -0.932 39.890 40.800 0.037 0.000 0.925 756 D HN 0.019 nan 8.370 nan 0.000 0.513 757 L N -0.112 121.040 121.223 -0.117 0.000 1.997 757 L HA -0.151 4.189 4.340 -0.001 0.000 0.216 757 L C 1.224 177.898 176.870 -0.326 0.000 1.074 757 L CA 1.730 56.378 54.840 -0.319 0.000 0.763 757 L CB -0.552 41.093 42.059 -0.689 0.000 0.890 757 L HN -0.041 nan 8.230 nan 0.000 0.434 758 F N -0.744 119.240 119.950 0.055 0.000 2.660 758 F HA 0.173 4.700 4.527 -0.001 0.000 0.302 758 F C 1.881 177.717 175.800 0.059 0.000 1.103 758 F CA -0.108 57.915 58.000 0.038 0.000 1.340 758 F CB -0.631 38.390 39.000 0.035 0.000 1.048 758 F HN 0.007 nan 8.300 nan 0.000 0.551 759 K N 0.055 120.573 120.400 0.197 0.000 2.365 759 K HA -0.109 4.210 4.320 -0.001 0.000 0.199 759 K C 1.057 177.748 176.600 0.153 0.000 1.045 759 K CA 0.898 57.283 56.287 0.163 0.000 0.962 759 K CB -0.022 32.552 32.500 0.123 0.000 0.759 759 K HN 0.196 nan 8.250 nan 0.000 0.469 760 D N 1.216 121.710 120.400 0.156 0.000 2.149 760 D HA -0.117 4.522 4.640 -0.001 0.000 0.201 760 D C 1.858 178.243 176.300 0.142 0.000 0.972 760 D CA 0.898 54.992 54.000 0.157 0.000 0.835 760 D CB 0.015 40.925 40.800 0.183 0.000 0.966 760 D HN 0.344 nan 8.370 nan 0.000 0.476 761 I N -1.598 119.050 120.570 0.130 0.000 2.716 761 I HA -0.096 4.073 4.170 -0.001 0.000 0.259 761 I C 1.965 178.128 176.117 0.077 0.000 1.172 761 I CA 0.467 61.816 61.300 0.082 0.000 1.478 761 I CB 0.020 38.042 38.000 0.037 0.000 1.104 761 I HN -0.253 nan 8.210 nan 0.000 0.439 762 V N 2.511 122.492 119.914 0.112 0.000 2.261 762 V HA -0.285 3.835 4.120 -0.001 0.000 0.246 762 V C 2.614 178.753 176.094 0.074 0.000 1.047 762 V CA 2.502 64.864 62.300 0.103 0.000 1.015 762 V CB -1.162 30.746 31.823 0.142 0.000 0.642 762 V HN 0.616 nan 8.190 nan 0.000 0.446 763 N N -0.336 118.430 118.700 0.110 0.000 2.272 763 N HA -0.189 4.550 4.740 -0.001 0.000 0.185 763 N C 1.811 177.364 175.510 0.072 0.000 1.014 763 N CA 1.605 54.731 53.050 0.127 0.000 0.870 763 N CB -0.190 38.404 38.487 0.178 0.000 0.975 763 N HN 0.400 nan 8.380 nan 0.000 0.433 764 M N 0.615 120.276 119.600 0.101 0.000 2.081 764 M HA -0.085 4.394 4.480 -0.001 0.000 0.261 764 M C 2.045 178.315 176.300 -0.050 0.000 1.075 764 M CA 0.881 56.246 55.300 0.108 0.000 1.133 764 M CB -0.739 31.938 32.600 0.129 0.000 1.330 764 M HN 0.121 nan 8.290 nan 0.000 0.414 765 L N 0.236 121.381 121.223 -0.130 0.000 2.021 765 L HA -0.321 4.018 4.340 -0.001 0.000 0.215 765 L C 2.650 179.183 176.870 -0.561 0.000 1.074 765 L CA 1.479 56.090 54.840 -0.382 0.000 0.760 765 L CB -0.739 41.093 42.059 -0.377 0.000 0.889 765 L HN 0.395 nan 8.230 nan 0.000 0.433 766 M N -1.881 117.507 119.600 -0.353 0.000 2.288 766 M HA -0.121 4.359 4.480 -0.001 0.000 0.266 766 M C 1.411 177.322 176.300 -0.648 0.000 1.072 766 M CA 1.809 56.864 55.300 -0.408 0.000 1.132 766 M CB -0.617 31.756 32.600 -0.379 0.000 1.386 766 M HN 0.367 nan 8.290 nan 0.000 0.432 767 H N -2.749 116.136 119.070 -0.308 0.000 3.794 767 H HA 0.184 4.739 4.556 -0.001 0.000 0.258 767 H C 0.031 175.007 175.328 -0.588 0.000 1.120 767 H CA 0.064 55.829 56.048 -0.471 0.000 1.166 767 H CB 0.772 30.141 29.762 -0.654 0.000 1.517 767 H HN 0.259 nan 8.280 nan 0.000 0.615 768 H N -0.148 118.984 119.070 0.103 0.000 2.790 768 H HA 0.132 4.687 4.556 -0.001 0.000 0.232 768 H C -0.683 174.667 175.328 0.036 0.000 1.313 768 H CA -0.363 55.731 56.048 0.076 0.000 1.011 768 H CB 0.312 30.120 29.762 0.077 0.000 2.105 768 H HN 0.202 nan 8.280 nan 0.000 0.580 769 D N 1.353 121.785 120.400 0.054 0.000 2.344 769 D HA 0.061 4.701 4.640 -0.001 0.000 0.253 769 D C 1.294 177.535 176.300 -0.099 0.000 1.255 769 D CA -0.070 53.923 54.000 -0.011 0.000 0.894 769 D CB 0.629 41.389 40.800 -0.066 0.000 1.067 769 D HN 0.167 nan 8.370 nan 0.000 0.492 770 R N 2.564 122.963 120.500 -0.169 0.000 2.240 770 R HA 0.021 4.361 4.340 -0.001 0.000 0.203 770 R C 0.461 176.260 176.300 -0.834 0.000 1.011 770 R CA 0.557 56.360 56.100 -0.496 0.000 1.007 770 R CB 0.200 30.105 30.300 -0.659 0.000 0.911 770 R HN 0.399 nan 8.270 nan 0.000 0.468 771 F N 0.765 120.645 119.950 -0.117 0.000 2.850 771 F HA 0.284 4.810 4.527 -0.001 0.000 0.306 771 F C 0.027 175.696 175.800 -0.218 0.000 1.162 771 F CA -0.537 57.388 58.000 -0.126 0.000 1.327 771 F CB 0.325 39.315 39.000 -0.018 0.000 0.953 771 F HN -0.248 nan 8.300 nan 0.000 0.507 772 K N -0.408 119.756 120.400 -0.393 0.000 3.356 772 K HA -0.203 4.117 4.320 -0.001 0.000 0.270 772 K C 1.146 177.643 176.600 -0.170 0.000 0.901 772 K CA 0.145 56.101 56.287 -0.552 0.000 0.688 772 K CB -1.567 30.581 32.500 -0.587 0.000 1.460 772 K HN 0.274 nan 8.250 nan 0.000 0.458 773 V N -0.074 119.797 119.914 -0.072 0.000 2.231 773 V HA -0.301 3.819 4.120 -0.001 0.000 0.248 773 V C 2.043 178.268 176.094 0.219 0.000 1.054 773 V CA 2.185 64.515 62.300 0.049 0.000 1.015 773 V CB -0.481 31.345 31.823 0.004 0.000 0.638 773 V HN 0.394 nan 8.190 nan 0.000 0.444 774 F N 0.806 120.783 119.950 0.045 0.000 2.216 774 F HA -0.098 4.428 4.527 -0.001 0.000 0.300 774 F C 2.473 178.114 175.800 -0.265 0.000 1.085 774 F CA 0.886 58.883 58.000 -0.005 0.000 1.326 774 F CB -1.496 37.526 39.000 0.036 0.000 1.027 774 F HN 0.157 nan 8.300 nan 0.000 0.497 775 A N -0.607 122.091 122.820 -0.204 0.000 2.015 775 A HA -0.149 4.170 4.320 -0.001 0.000 0.219 775 A C 1.679 179.250 177.584 -0.022 0.000 1.163 775 A CA 1.904 53.683 52.037 -0.430 0.000 0.646 775 A CB -0.461 18.484 19.000 -0.093 0.000 0.806 775 A HN 0.228 nan 8.150 nan 0.000 0.448 776 D N -2.853 117.610 120.400 0.105 0.000 2.398 776 D HA 0.087 4.727 4.640 -0.001 0.000 0.210 776 D C 1.150 177.600 176.300 0.250 0.000 1.094 776 D CA -0.088 54.040 54.000 0.214 0.000 0.839 776 D CB -0.133 40.836 40.800 0.281 0.000 0.963 776 D HN 0.507 nan 8.370 nan 0.000 0.506 777 Y N 3.069 123.454 120.300 0.142 0.000 2.040 777 Y HA -0.322 4.227 4.550 -0.001 0.000 0.275 777 Y C 2.085 178.079 175.900 0.157 0.000 1.171 777 Y CA 2.468 60.671 58.100 0.172 0.000 1.123 777 Y CB -0.016 38.540 38.460 0.159 0.000 0.963 777 Y HN 0.034 nan 8.280 nan 0.000 0.493 778 E N -0.925 119.283 120.200 0.014 0.000 2.106 778 E HA -0.196 4.154 4.350 -0.001 0.000 0.192 778 E C 2.038 178.593 176.600 -0.075 0.000 0.984 778 E CA 1.220 57.547 56.400 -0.121 0.000 0.806 778 E CB -0.499 29.244 29.700 0.071 0.000 0.750 778 E HN 0.518 nan 8.360 nan 0.000 0.458 779 E N 0.399 120.634 120.200 0.058 0.000 2.150 779 E HA -0.158 4.192 4.350 -0.001 0.000 0.193 779 E C 1.728 178.321 176.600 -0.012 0.000 0.985 779 E CA 0.623 57.078 56.400 0.091 0.000 0.814 779 E CB -0.148 29.688 29.700 0.227 0.000 0.752 779 E HN 0.358 nan 8.360 nan 0.000 0.466 780 Y N 1.255 121.370 120.300 -0.308 0.000 2.114 780 Y HA -0.233 4.317 4.550 -0.001 0.000 0.284 780 Y C 2.212 177.729 175.900 -0.639 0.000 1.143 780 Y CA 1.386 58.996 58.100 -0.816 0.000 1.135 780 Y CB -0.607 37.430 38.460 -0.706 0.000 0.980 780 Y HN -0.193 nan 8.280 nan 0.000 0.499 781 V N 0.838 120.377 119.914 -0.624 0.000 2.490 781 V HA -0.287 3.832 4.120 -0.001 0.000 0.250 781 V C 2.464 178.320 176.094 -0.397 0.000 1.061 781 V CA 2.151 64.085 62.300 -0.610 0.000 1.064 781 V CB -0.683 30.832 31.823 -0.514 0.000 0.670 781 V HN 0.314 nan 8.190 nan 0.000 0.461 782 K N -0.686 119.553 120.400 -0.269 0.000 2.002 782 K HA -0.240 4.080 4.320 -0.001 0.000 0.209 782 K C 2.331 178.852 176.600 -0.131 0.000 1.048 782 K CA 1.981 58.185 56.287 -0.139 0.000 0.930 782 K CB -0.528 31.939 32.500 -0.054 0.000 0.714 782 K HN 0.517 nan 8.250 nan 0.000 0.438 783 C N 1.571 120.779 119.300 -0.155 0.000 2.411 783 C HA -0.087 4.372 4.460 -0.001 0.000 0.279 783 C C 2.683 177.550 174.990 -0.205 0.000 1.288 783 C CA 0.788 59.765 59.018 -0.069 0.000 1.764 783 C CB -0.739 26.991 27.740 -0.016 0.000 1.974 783 C HN 0.481 nan 8.230 nan 0.000 0.498 784 Q N 0.381 119.920 119.800 -0.436 0.000 2.124 784 Q HA -0.181 4.159 4.340 -0.001 0.000 0.202 784 Q C 1.928 177.792 176.000 -0.227 0.000 0.977 784 Q CA 1.656 57.181 55.803 -0.462 0.000 0.850 784 Q CB -0.457 27.835 28.738 -0.743 0.000 0.901 784 Q HN 0.753 nan 8.270 nan 0.000 0.429 785 E N 0.411 120.522 120.200 -0.148 0.000 2.110 785 E HA -0.151 4.199 4.350 -0.001 0.000 0.193 785 E C 2.102 178.709 176.600 0.011 0.000 0.988 785 E CA 0.710 57.079 56.400 -0.051 0.000 0.804 785 E CB -0.042 29.638 29.700 -0.034 0.000 0.745 785 E HN 0.257 nan 8.360 nan 0.000 0.458 786 R N 0.260 120.785 120.500 0.040 0.000 2.092 786 R HA -0.072 4.268 4.340 -0.001 0.000 0.231 786 R C 2.368 178.787 176.300 0.198 0.000 1.119 786 R CA 0.902 57.108 56.100 0.177 0.000 0.970 786 R CB -0.208 30.276 30.300 0.306 0.000 0.864 786 R HN 0.062 nan 8.270 nan 0.000 0.440 787 V N 0.443 120.297 119.914 -0.100 0.000 2.307 787 V HA -0.214 3.906 4.120 -0.001 0.000 0.245 787 V C 2.141 178.297 176.094 0.104 0.000 1.045 787 V CA 1.927 64.081 62.300 -0.243 0.000 1.024 787 V CB -0.279 31.208 31.823 -0.560 0.000 0.651 787 V HN 0.276 nan 8.190 nan 0.000 0.449 788 S N 0.317 116.032 115.700 0.025 0.000 2.368 788 S HA -0.166 4.304 4.470 -0.001 0.000 0.225 788 S C 2.239 176.934 174.600 0.158 0.000 1.030 788 S CA 1.361 59.606 58.200 0.075 0.000 0.999 788 S CB -0.550 62.654 63.200 0.006 0.000 0.844 788 S HN 0.638 nan 8.310 nan 0.000 0.459 789 A N 1.644 124.551 122.820 0.145 0.000 1.873 789 A HA -0.129 4.190 4.320 -0.001 0.000 0.218 789 A C 2.160 179.857 177.584 0.188 0.000 1.193 789 A CA 1.742 53.871 52.037 0.153 0.000 0.629 789 A CB -0.884 18.197 19.000 0.136 0.000 0.826 789 A HN 0.426 nan 8.150 nan 0.000 0.447 790 L N -2.033 119.358 121.223 0.279 0.000 2.083 790 L HA -0.131 4.209 4.340 -0.001 0.000 0.209 790 L C 2.283 179.376 176.870 0.371 0.000 1.083 790 L CA 2.144 57.204 54.840 0.367 0.000 0.752 790 L CB -0.802 41.581 42.059 0.540 0.000 0.899 790 L HN 0.490 nan 8.230 nan 0.000 0.433 791 Y N 0.380 120.795 120.300 0.191 0.000 2.333 791 Y HA -0.240 4.310 4.550 -0.001 0.000 0.290 791 Y C 2.392 178.222 175.900 -0.116 0.000 1.144 791 Y CA 1.672 59.622 58.100 -0.250 0.000 1.228 791 Y CB -0.154 37.999 38.460 -0.511 0.000 0.985 791 Y HN 0.214 nan 8.280 nan 0.000 0.542 792 K N -0.009 120.372 120.400 -0.031 0.000 2.147 792 K HA -0.168 4.152 4.320 -0.001 0.000 0.205 792 K C 0.611 177.154 176.600 -0.095 0.000 1.049 792 K CA 0.970 57.229 56.287 -0.046 0.000 0.936 792 K CB -0.207 32.324 32.500 0.051 0.000 0.722 792 K HN 0.233 nan 8.250 nan 0.000 0.446 793 N N 0.921 119.600 118.700 -0.035 0.000 2.527 793 N HA 0.081 4.821 4.740 -0.001 0.000 0.236 793 N C -2.451 173.049 175.510 -0.018 0.000 0.999 793 N CA -1.665 51.372 53.050 -0.021 0.000 0.935 793 N CB 1.410 39.915 38.487 0.031 0.000 1.132 793 N HN -0.168 nan 8.380 nan 0.000 0.511 794 P HA -0.064 nan 4.420 nan 0.000 0.218 794 P C 1.260 178.578 177.300 0.030 0.000 1.149 794 P CA 0.738 63.788 63.100 -0.083 0.000 0.817 794 P CB 0.256 31.871 31.700 -0.141 0.000 0.785 795 R N -0.068 120.445 120.500 0.022 0.000 2.090 795 R HA -0.099 4.241 4.340 -0.001 0.000 0.228 795 R C 1.691 178.030 176.300 0.065 0.000 1.110 795 R CA 1.142 57.264 56.100 0.037 0.000 0.973 795 R CB -0.139 30.175 30.300 0.023 0.000 0.869 795 R HN 0.076 nan 8.270 nan 0.000 0.440 796 E N -0.288 119.962 120.200 0.083 0.000 2.158 796 E HA -0.178 4.172 4.350 -0.001 0.000 0.191 796 E C 1.479 178.161 176.600 0.137 0.000 0.982 796 E CA 0.465 56.920 56.400 0.093 0.000 0.823 796 E CB -0.366 29.389 29.700 0.091 0.000 0.766 796 E HN 0.434 nan 8.360 nan 0.000 0.468 797 W N 2.115 123.414 121.300 -0.000 0.000 2.353 797 W HA -0.187 4.472 4.660 -0.001 0.000 0.319 797 W C 1.608 178.135 176.519 0.013 0.000 1.207 797 W CA 2.222 59.583 57.345 0.026 0.000 1.291 797 W CB -0.558 28.896 29.460 -0.011 0.000 1.159 797 W HN 0.040 nan 8.180 nan 0.000 0.478 798 T N 1.195 115.883 114.554 0.223 0.000 2.849 798 T HA -0.208 4.142 4.350 -0.001 0.000 0.270 798 T C 1.807 176.513 174.700 0.011 0.000 1.066 798 T CA 1.636 63.791 62.100 0.092 0.000 1.130 798 T CB -0.309 68.594 68.868 0.058 0.000 0.864 798 T HN 0.193 nan 8.240 nan 0.000 0.481 799 R N 0.089 120.604 120.500 0.026 0.000 2.093 799 R HA 0.205 4.545 4.340 -0.001 0.000 0.224 799 R C 2.500 178.790 176.300 -0.016 0.000 1.101 799 R CA 0.875 56.989 56.100 0.023 0.000 0.979 799 R CB -0.246 30.077 30.300 0.037 0.000 0.877 799 R HN 0.361 nan 8.270 nan 0.000 0.441 800 M N 0.394 119.951 119.600 -0.072 0.000 2.175 800 M HA -0.130 4.350 4.480 -0.001 0.000 0.264 800 M C 1.863 178.072 176.300 -0.152 0.000 1.063 800 M CA 1.343 56.566 55.300 -0.127 0.000 1.119 800 M CB 0.222 32.700 32.600 -0.204 0.000 1.377 800 M HN -0.012 nan 8.290 nan 0.000 0.415 801 V N 0.952 120.749 119.914 -0.194 0.000 2.287 801 V HA -0.316 3.803 4.120 -0.001 0.000 0.248 801 V C 2.223 178.283 176.094 -0.057 0.000 1.053 801 V CA 1.986 64.200 62.300 -0.143 0.000 1.027 801 V CB -0.643 31.106 31.823 -0.123 0.000 0.646 801 V HN 0.506 nan 8.190 nan 0.000 0.447 802 I N -0.399 120.158 120.570 -0.023 0.000 2.315 802 I HA -0.296 3.873 4.170 -0.001 0.000 0.251 802 I C 2.643 178.801 176.117 0.069 0.000 1.125 802 I CA 1.643 62.977 61.300 0.057 0.000 1.392 802 I CB -0.394 37.683 38.000 0.127 0.000 1.065 802 I HN 0.259 nan 8.210 nan 0.000 0.424 803 R N 0.183 120.703 120.500 0.033 0.000 2.193 803 R HA -0.031 4.308 4.340 -0.001 0.000 0.213 803 R C 1.903 178.225 176.300 0.037 0.000 1.055 803 R CA 0.745 56.866 56.100 0.036 0.000 0.995 803 R CB -0.255 30.053 30.300 0.014 0.000 0.893 803 R HN 0.516 nan 8.270 nan 0.000 0.459 804 N N 0.630 119.339 118.700 0.014 0.000 2.220 804 N HA -0.005 4.734 4.740 -0.001 0.000 0.182 804 N C 1.908 177.455 175.510 0.061 0.000 1.023 804 N CA 0.850 53.919 53.050 0.033 0.000 0.856 804 N CB 0.130 38.600 38.487 -0.029 0.000 0.997 804 N HN 0.095 nan 8.380 nan 0.000 0.429 805 I N 1.723 122.318 120.570 0.041 0.000 2.127 805 I HA -0.230 3.939 4.170 -0.001 0.000 0.241 805 I C 2.427 178.581 176.117 0.062 0.000 1.075 805 I CA 1.005 62.334 61.300 0.048 0.000 1.334 805 I CB -0.327 37.688 38.000 0.025 0.000 1.040 805 I HN 0.069 nan 8.210 nan 0.000 0.405 806 A N 0.414 123.275 122.820 0.069 0.000 2.125 806 A HA -0.160 4.159 4.320 -0.001 0.000 0.219 806 A C 2.156 179.781 177.584 0.069 0.000 1.156 806 A CA 2.016 54.093 52.037 0.065 0.000 0.671 806 A CB -0.939 18.107 19.000 0.077 0.000 0.794 806 A HN 0.561 nan 8.150 nan 0.000 0.459 807 T N -2.306 112.301 114.554 0.090 0.000 3.086 807 T HA 0.066 4.415 4.350 -0.001 0.000 0.250 807 T C 1.595 176.392 174.700 0.162 0.000 1.074 807 T CA 0.804 62.969 62.100 0.107 0.000 0.988 807 T CB -0.195 68.743 68.868 0.117 0.000 0.988 807 T HN 0.565 nan 8.240 nan 0.000 0.530 808 S N 1.178 116.985 115.700 0.177 0.000 2.481 808 S HA 0.135 4.604 4.470 -0.001 0.000 0.231 808 S C 2.350 177.086 174.600 0.227 0.000 0.996 808 S CA 0.490 58.863 58.200 0.287 0.000 0.942 808 S CB -1.077 62.252 63.200 0.215 0.000 0.768 808 S HN 0.543 nan 8.310 nan 0.000 0.520 809 G N 2.373 111.234 108.800 0.101 0.000 2.550 809 G HA2 -0.341 3.619 3.960 -0.001 0.000 0.222 809 G HA3 -0.341 3.619 3.960 -0.001 0.000 0.222 809 G C 1.351 176.220 174.900 -0.052 0.000 1.113 809 G CA 1.208 46.332 45.100 0.041 0.000 0.748 809 G HN 0.607 nan 8.290 nan 0.000 0.585 810 K N -0.352 119.914 120.400 -0.224 0.000 2.147 810 K HA -0.023 4.297 4.320 -0.001 0.000 0.205 810 K C 1.017 177.290 176.600 -0.545 0.000 1.049 810 K CA 0.639 56.625 56.287 -0.502 0.000 0.936 810 K CB -0.198 31.739 32.500 -0.939 0.000 0.722 810 K HN 0.349 nan 8.250 nan 0.000 0.446 811 F N 1.127 121.112 119.950 0.059 0.000 2.757 811 F HA 0.156 4.683 4.527 -0.001 0.000 0.292 811 F C 0.624 176.478 175.800 0.090 0.000 1.204 811 F CA -0.236 57.807 58.000 0.072 0.000 1.417 811 F CB 0.043 39.084 39.000 0.067 0.000 1.001 811 F HN -0.157 nan 8.300 nan 0.000 0.508 812 S N -0.164 115.616 115.700 0.134 0.000 2.525 812 S HA 0.204 4.673 4.470 -0.001 0.000 0.278 812 S C 1.376 176.065 174.600 0.148 0.000 1.234 812 S CA -0.251 58.037 58.200 0.146 0.000 1.058 812 S CB 0.878 64.136 63.200 0.098 0.000 0.983 812 S HN 0.342 nan 8.310 nan 0.000 0.495 813 S N 3.266 119.090 115.700 0.207 0.000 2.474 813 S HA -0.085 4.384 4.470 -0.001 0.000 0.235 813 S C 0.960 175.632 174.600 0.119 0.000 0.997 813 S CA 0.749 59.102 58.200 0.254 0.000 0.949 813 S CB -0.369 63.072 63.200 0.401 0.000 0.766 813 S HN 0.793 nan 8.310 nan 0.000 0.517 814 D N 1.887 122.341 120.400 0.090 0.000 2.144 814 D HA -0.097 4.542 4.640 -0.001 0.000 0.199 814 D C 2.046 178.353 176.300 0.012 0.000 0.984 814 D CA 0.879 54.906 54.000 0.044 0.000 0.834 814 D CB -0.340 40.484 40.800 0.040 0.000 0.955 814 D HN 0.422 nan 8.370 nan 0.000 0.465 815 R N 0.592 121.098 120.500 0.012 0.000 2.070 815 R HA -0.114 4.226 4.340 -0.001 0.000 0.233 815 R C 2.030 178.305 176.300 -0.042 0.000 1.137 815 R CA 1.737 57.823 56.100 -0.024 0.000 0.945 815 R CB -0.454 29.821 30.300 -0.042 0.000 0.845 815 R HN 0.106 nan 8.270 nan 0.000 0.430 816 T N 2.006 116.551 114.554 -0.015 0.000 2.665 816 T HA -0.165 4.185 4.350 -0.001 0.000 0.268 816 T C 1.896 176.557 174.700 -0.064 0.000 1.035 816 T CA 1.429 63.511 62.100 -0.030 0.000 1.151 816 T CB -0.158 68.757 68.868 0.080 0.000 0.862 816 T HN 0.132 nan 8.240 nan 0.000 0.438 817 I N 1.651 122.142 120.570 -0.131 0.000 2.252 817 I HA -0.056 4.114 4.170 -0.001 0.000 0.245 817 I C 2.936 179.013 176.117 -0.065 0.000 1.102 817 I CA 0.896 62.116 61.300 -0.133 0.000 1.385 817 I CB -1.645 36.268 38.000 -0.145 0.000 1.064 817 I HN 0.211 nan 8.210 nan 0.000 0.414 818 A N 0.095 122.885 122.820 -0.049 0.000 1.940 818 A HA -0.240 4.080 4.320 -0.001 0.000 0.219 818 A C 2.239 179.768 177.584 -0.091 0.000 1.176 818 A CA 1.426 53.437 52.037 -0.043 0.000 0.631 818 A CB -0.542 18.438 19.000 -0.034 0.000 0.814 818 A HN 0.510 nan 8.150 nan 0.000 0.446 819 Q N -1.674 118.044 119.800 -0.137 0.000 2.046 819 Q HA -0.192 4.148 4.340 -0.001 0.000 0.200 819 Q C 1.993 177.799 176.000 -0.325 0.000 0.975 819 Q CA 1.794 57.467 55.803 -0.215 0.000 0.836 819 Q CB -0.347 28.237 28.738 -0.256 0.000 0.896 819 Q HN 0.817 nan 8.270 nan 0.000 0.428 820 Y N 0.638 120.660 120.300 -0.464 0.000 2.070 820 Y HA -0.302 4.248 4.550 -0.001 0.000 0.280 820 Y C 2.556 177.959 175.900 -0.827 0.000 1.148 820 Y CA 1.382 58.982 58.100 -0.835 0.000 1.125 820 Y CB -0.748 36.890 38.460 -1.370 0.000 0.975 820 Y HN 0.161 nan 8.280 nan 0.000 0.492 821 A N -0.077 122.534 122.820 -0.349 0.000 1.903 821 A HA -0.316 4.004 4.320 -0.001 0.000 0.219 821 A C 2.210 179.806 177.584 0.020 0.000 1.191 821 A CA 2.487 54.555 52.037 0.053 0.000 0.638 821 A CB -0.740 18.351 19.000 0.151 0.000 0.823 821 A HN 0.427 nan 8.150 nan 0.000 0.451 822 R N -0.697 119.771 120.500 -0.053 0.000 2.093 822 R HA -0.002 4.338 4.340 -0.001 0.000 0.224 822 R C 1.756 178.023 176.300 -0.054 0.000 1.101 822 R CA 1.716 57.793 56.100 -0.039 0.000 0.979 822 R CB -0.103 30.165 30.300 -0.053 0.000 0.877 822 R HN 0.669 nan 8.270 nan 0.000 0.441 823 E N -1.509 118.620 120.200 -0.119 0.000 2.447 823 E HA 0.155 4.505 4.350 -0.001 0.000 0.204 823 E C 1.164 177.708 176.600 -0.094 0.000 0.977 823 E CA 0.297 56.631 56.400 -0.110 0.000 0.950 823 E CB 0.680 30.283 29.700 -0.163 0.000 0.975 823 E HN 0.301 nan 8.360 nan 0.000 0.496 824 I N -1.127 119.354 120.570 -0.149 0.000 3.739 824 I HA 0.030 4.199 4.170 -0.001 0.000 0.272 824 I C 1.098 177.312 176.117 0.162 0.000 1.167 824 I CA -0.006 61.253 61.300 -0.069 0.000 1.386 824 I CB 0.372 38.205 38.000 -0.278 0.000 1.490 824 I HN 0.131 nan 8.210 nan 0.000 0.452 825 W N 1.491 122.883 121.300 0.155 0.000 2.863 825 W HA 0.368 5.028 4.660 -0.001 0.000 0.258 825 W C 1.369 177.920 176.519 0.054 0.000 1.298 825 W CA 0.640 58.055 57.345 0.117 0.000 1.451 825 W CB -0.925 28.587 29.460 0.087 0.000 1.107 825 W HN 0.309 nan 8.180 nan 0.000 0.641 826 G N 1.218 110.143 108.800 0.209 0.000 2.248 826 G HA2 -0.116 3.844 3.960 -0.001 0.000 0.263 826 G HA3 -0.116 3.844 3.960 -0.001 0.000 0.263 826 G C -0.435 174.529 174.900 0.108 0.000 1.082 826 G CA 0.151 45.322 45.100 0.117 0.000 0.863 826 G HN 0.158 nan 8.290 nan 0.000 0.495 827 V N -2.792 117.198 119.914 0.128 0.000 2.962 827 V HA 0.880 5.000 4.120 -0.001 0.000 0.313 827 V C -0.206 175.931 176.094 0.072 0.000 1.099 827 V CA -1.552 60.806 62.300 0.097 0.000 0.971 827 V CB 2.153 34.050 31.823 0.124 0.000 1.028 827 V HN 0.373 nan 8.190 nan 0.000 0.430 828 E N 3.363 123.592 120.200 0.047 0.000 2.134 828 E HA 0.589 4.939 4.350 -0.001 0.000 0.278 828 E C -2.653 173.970 176.600 0.038 0.000 0.959 828 E CA -2.240 54.180 56.400 0.034 0.000 0.783 828 E CB 1.257 30.971 29.700 0.024 0.000 1.095 828 E HN 0.624 nan 8.360 nan 0.000 0.399 829 P HA 0.023 nan 4.420 nan 0.000 0.266 829 P C -1.066 176.253 177.300 0.032 0.000 1.193 829 P CA -0.002 63.121 63.100 0.039 0.000 0.770 829 P CB 0.687 32.406 31.700 0.032 0.000 0.836 830 S N 1.677 117.398 115.700 0.035 0.000 2.552 830 S HA 0.300 4.769 4.470 -0.001 0.000 0.314 830 S C 0.559 175.177 174.600 0.030 0.000 1.099 830 S CA -0.717 57.502 58.200 0.032 0.000 1.070 830 S CB 0.412 63.638 63.200 0.042 0.000 0.998 830 S HN 0.261 nan 8.310 nan 0.000 0.474 831 R N 2.073 122.587 120.500 0.023 0.000 2.334 831 R HA 0.099 4.438 4.340 -0.001 0.000 0.220 831 R C 0.673 176.981 176.300 0.013 0.000 0.917 831 R CA -0.102 56.011 56.100 0.022 0.000 1.073 831 R CB 0.224 30.535 30.300 0.020 0.000 1.056 831 R HN 0.684 nan 8.270 nan 0.000 0.506 832 Q N 1.779 121.584 119.800 0.007 0.000 2.352 832 Q HA 0.040 4.379 4.340 -0.001 0.000 0.260 832 Q C -0.735 175.252 176.000 -0.022 0.000 0.976 832 Q CA 0.198 55.997 55.803 -0.007 0.000 0.881 832 Q CB 0.812 29.546 28.738 -0.007 0.000 1.235 832 Q HN -0.135 nan 8.270 nan 0.000 0.419 833 R N 1.853 122.334 120.500 -0.032 0.000 2.539 833 R HA 0.308 4.647 4.340 -0.001 0.000 0.275 833 R C -0.359 175.893 176.300 -0.079 0.000 1.077 833 R CA -0.311 55.760 56.100 -0.048 0.000 1.097 833 R CB 0.352 30.625 30.300 -0.046 0.000 1.018 833 R HN 0.534 nan 8.270 nan 0.000 0.483 834 L N 4.583 125.742 121.223 -0.107 0.000 2.421 834 L HA 0.313 4.653 4.340 -0.001 0.000 0.263 834 L C -1.376 175.426 176.870 -0.112 0.000 1.122 834 L CA -1.786 52.955 54.840 -0.166 0.000 0.804 834 L CB 0.730 42.660 42.059 -0.216 0.000 1.150 834 L HN 0.539 nan 8.230 nan 0.000 0.457 835 P HA -0.239 nan 4.420 nan 0.000 0.216 835 P C -0.880 176.393 177.300 -0.046 0.000 0.860 835 P CA 2.460 65.521 63.100 -0.064 0.000 1.042 835 P CB 0.117 31.781 31.700 -0.059 0.000 0.716 836 A N 0.000 122.799 122.820 -0.035 0.000 2.254 836 A HA 0.000 4.320 4.320 -0.001 0.000 0.244 836 A CA 0.000 52.027 52.037 -0.017 0.000 0.836 836 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 836 A HN 0.000 nan 8.150 nan 0.000 0.486