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 1pmo_1_D DATA FIRST_RESID 13 DATA SEQUENCE LLDSRFGAKS ISTIAESKRF PLHEMRDDVA FQIINDELYL DGNARQNLAT DATA SEQUENCE FCQTWDDENV HKLMDLSINK NWIDKEEYPQ SAAIDLRCVN MVADLWHAPA DATA SEQUENCE PKNGQAVGTN TIGSSEACML GGMAMKWRWR KRMEAAGKPT DKPNLVCGPV DATA SEQUENCE QICWHKFARY WDVELREIPM RPGQLFMDPK RMIEACDENT IGVVPTFGVT DATA SEQUENCE YTGNYEFPQP LHDALDKFQA DTGIDIDMHI DAASGGFLAP FVAPDIVWDF DATA SEQUENCE RLPRVKSISA SGHKFGLAPL GCGWVIWRDE EALPQELVFN VDYLGGQIGT DATA SEQUENCE FAINFSRPAG QVIAQYYEFL RLGREGYTKV QNASYQVAAY LADEIAKLGP DATA SEQUENCE YEFICTGRPD EGIPAVCFKL KDGEDPGYTL YDLSERLRLR GWQVPAFTLG DATA SEQUENCE GEATDIVVMR IMCRRGFEMD FAELLLEDYK ASLKYLSDHP KLQGIAQQNS DATA SEQUENCE FKHT 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 13 L HA 0.000 nan 4.340 nan 0.000 0.249 13 L C 0.000 176.879 176.870 0.015 0.000 1.165 13 L CA 0.000 54.845 54.840 0.009 0.000 0.813 13 L CB 0.000 42.065 42.059 0.009 0.000 0.961 14 L N 1.409 122.640 121.223 0.013 0.000 2.313 14 L HA 0.698 5.035 4.340 -0.006 0.000 0.268 14 L C -0.689 176.192 176.870 0.019 0.000 1.010 14 L CA -0.692 54.161 54.840 0.021 0.000 0.814 14 L CB 1.978 44.044 42.059 0.011 0.000 1.304 14 L HN 0.585 nan 8.230 nan 0.000 0.441 15 D N -0.317 120.106 120.400 0.038 0.000 2.308 15 D HA 0.131 4.767 4.640 -0.006 0.000 0.242 15 D C 0.651 176.905 176.300 -0.077 0.000 1.059 15 D CA -0.211 53.792 54.000 0.005 0.000 0.830 15 D CB 2.062 42.943 40.800 0.134 0.000 1.161 15 D HN 0.568 nan 8.370 nan 0.000 0.494 16 S N 3.563 119.184 115.700 -0.132 0.000 2.515 16 S HA -0.044 4.423 4.470 -0.006 0.000 0.231 16 S C 1.463 175.919 174.600 -0.240 0.000 0.987 16 S CA 0.397 58.508 58.200 -0.147 0.000 0.936 16 S CB 0.151 63.278 63.200 -0.122 0.000 0.766 16 S HN 0.474 nan 8.310 nan 0.000 0.528 17 R N -0.348 119.878 120.500 -0.456 0.000 2.090 17 R HA 0.259 4.595 4.340 -0.006 0.000 0.219 17 R C 1.086 177.014 176.300 -0.621 0.000 1.100 17 R CA 1.230 56.921 56.100 -0.682 0.000 0.991 17 R CB -0.222 29.373 30.300 -1.176 0.000 0.893 17 R HN 0.518 nan 8.270 nan 0.000 0.443 18 F N -0.520 119.420 119.950 -0.017 0.000 2.746 18 F HA 0.364 4.888 4.527 -0.006 0.000 0.297 18 F C 1.292 177.086 175.800 -0.010 0.000 1.113 18 F CA 0.067 58.061 58.000 -0.010 0.000 1.367 18 F CB -0.105 38.891 39.000 -0.008 0.000 1.111 18 F HN 0.109 nan 8.300 nan 0.000 0.590 19 G N 1.074 109.911 108.800 0.061 0.000 2.338 19 G HA2 0.050 4.006 3.960 -0.006 0.000 0.296 19 G HA3 0.050 4.006 3.960 -0.006 0.000 0.296 19 G C 0.051 174.994 174.900 0.073 0.000 1.040 19 G CA 0.242 45.368 45.100 0.043 0.000 1.004 19 G HN 0.818 nan 8.290 nan 0.000 0.509 20 A N -0.932 121.951 122.820 0.104 0.000 2.568 20 A HA 0.860 5.177 4.320 -0.006 0.000 0.291 20 A C 0.222 177.853 177.584 0.078 0.000 1.159 20 A CA 0.093 52.180 52.037 0.084 0.000 0.679 20 A CB 0.684 19.740 19.000 0.092 0.000 1.285 20 A HN 0.947 nan 8.150 nan 0.000 0.428 21 K N 0.719 121.148 120.400 0.049 0.000 2.511 21 K HA 0.173 4.490 4.320 -0.006 0.000 0.280 21 K C 0.486 177.122 176.600 0.060 0.000 1.008 21 K CA 0.614 56.924 56.287 0.039 0.000 1.050 21 K CB 0.231 32.742 32.500 0.019 0.000 0.889 21 K HN 0.736 nan 8.250 nan 0.000 0.484 22 S N 4.033 119.765 115.700 0.054 0.000 2.560 22 S HA 0.154 4.620 4.470 -0.006 0.000 0.284 22 S C -0.015 174.617 174.600 0.053 0.000 1.327 22 S CA -0.355 57.885 58.200 0.067 0.000 1.055 22 S CB 0.145 63.370 63.200 0.042 0.000 0.868 22 S HN 0.505 nan 8.310 nan 0.000 0.506 23 I N 3.754 124.364 120.570 0.066 0.000 2.448 23 I HA 0.211 4.378 4.170 -0.006 0.000 0.281 23 I C -0.014 176.124 176.117 0.035 0.000 1.027 23 I CA -0.371 60.949 61.300 0.034 0.000 1.111 23 I CB 1.705 39.707 38.000 0.004 0.000 1.236 23 I HN 0.542 nan 8.210 nan 0.000 0.452 24 S N 2.888 118.599 115.700 0.019 0.000 2.585 24 S HA 0.306 4.773 4.470 -0.006 0.000 0.277 24 S C 1.143 175.741 174.600 -0.003 0.000 1.241 24 S CA -0.249 57.958 58.200 0.011 0.000 1.041 24 S CB 1.067 64.271 63.200 0.007 0.000 0.987 24 S HN 0.737 nan 8.310 nan 0.000 0.512 25 T N 2.188 116.738 114.554 -0.008 0.000 3.060 25 T HA 0.278 4.625 4.350 -0.006 0.000 0.249 25 T C 1.503 176.190 174.700 -0.023 0.000 1.079 25 T CA 0.066 62.153 62.100 -0.022 0.000 1.013 25 T CB -0.292 68.562 68.868 -0.024 0.000 0.975 25 T HN 0.595 nan 8.240 nan 0.000 0.518 26 I N 1.095 121.656 120.570 -0.015 0.000 2.810 26 I HA 0.221 4.388 4.170 -0.006 0.000 0.262 26 I C 3.043 179.153 176.117 -0.012 0.000 1.131 26 I CA 0.510 61.801 61.300 -0.014 0.000 1.453 26 I CB -0.550 37.443 38.000 -0.011 0.000 1.161 26 I HN 0.253 nan 8.210 nan 0.000 0.444 27 A N 1.389 124.204 122.820 -0.008 0.000 1.859 27 A HA -0.245 4.072 4.320 -0.006 0.000 0.218 27 A C 1.298 178.878 177.584 -0.008 0.000 1.242 27 A CA 1.970 54.004 52.037 -0.005 0.000 0.661 27 A CB -0.714 18.285 19.000 -0.001 0.000 0.842 27 A HN 0.419 nan 8.150 nan 0.000 0.455 28 E N -0.191 120.001 120.200 -0.012 0.000 2.464 28 E HA 0.323 4.669 4.350 -0.006 0.000 0.260 28 E C 0.490 177.075 176.600 -0.026 0.000 1.318 28 E CA 0.321 56.712 56.400 -0.015 0.000 1.571 28 E CB 0.371 30.060 29.700 -0.018 0.000 1.525 28 E HN 0.326 nan 8.360 nan 0.000 0.449 29 S N 0.643 116.330 115.700 -0.022 0.000 2.593 29 S HA 0.056 4.523 4.470 -0.006 0.000 0.217 29 S C 1.043 175.632 174.600 -0.020 0.000 0.966 29 S CA 0.440 58.623 58.200 -0.027 0.000 0.914 29 S CB 0.151 63.337 63.200 -0.023 0.000 0.776 29 S HN 0.185 nan 8.310 nan 0.000 0.523 30 K N 0.119 120.514 120.400 -0.010 0.000 2.402 30 K HA 0.288 4.604 4.320 -0.006 0.000 0.204 30 K C 0.090 176.700 176.600 0.016 0.000 1.056 30 K CA -0.077 56.211 56.287 0.002 0.000 1.069 30 K CB 0.878 33.380 32.500 0.002 0.000 0.888 30 K HN 0.113 nan 8.250 nan 0.000 0.546 31 R N 0.087 120.596 120.500 0.015 0.000 2.807 31 R HA 0.291 4.628 4.340 -0.006 0.000 0.276 31 R C -1.073 175.264 176.300 0.061 0.000 0.979 31 R CA -0.857 55.271 56.100 0.047 0.000 0.928 31 R CB 1.353 31.672 30.300 0.032 0.000 1.191 31 R HN -0.113 nan 8.270 nan 0.000 0.471 32 F N 3.210 123.141 119.950 -0.031 0.000 2.578 32 F HA 0.171 4.694 4.527 -0.006 0.000 0.376 32 F C -1.588 174.184 175.800 -0.047 0.000 1.085 32 F CA -1.229 56.750 58.000 -0.034 0.000 1.260 32 F CB 0.535 39.515 39.000 -0.033 0.000 1.095 32 F HN 0.324 nan 8.300 nan 0.000 0.573 33 P HA -0.004 nan 4.420 nan 0.000 0.264 33 P C 0.580 177.847 177.300 -0.055 0.000 1.183 33 P CA 0.206 63.196 63.100 -0.183 0.000 0.763 33 P CB 0.585 32.122 31.700 -0.272 0.000 0.807 34 L N 1.374 122.514 121.223 -0.138 0.000 2.068 34 L HA -0.011 4.325 4.340 -0.006 0.000 0.204 34 L C 1.154 177.812 176.870 -0.354 0.000 1.076 34 L CA 1.032 55.696 54.840 -0.293 0.000 0.753 34 L CB -0.527 41.187 42.059 -0.575 0.000 0.910 34 L HN 0.501 nan 8.230 nan 0.000 0.439 35 H N -0.258 118.823 119.070 0.018 0.000 2.615 35 H HA 0.384 4.937 4.556 -0.006 0.000 0.346 35 H C -0.523 174.803 175.328 -0.005 0.000 1.200 35 H CA -0.782 55.271 56.048 0.010 0.000 1.264 35 H CB 0.946 30.708 29.762 -0.001 0.000 1.699 35 H HN 0.041 nan 8.280 nan 0.000 0.567 36 E N 0.409 120.697 120.200 0.147 0.000 2.369 36 E HA 0.323 4.670 4.350 -0.006 0.000 0.255 36 E C -0.205 176.415 176.600 0.034 0.000 1.172 36 E CA -0.328 56.110 56.400 0.062 0.000 0.932 36 E CB 1.248 30.976 29.700 0.046 0.000 1.040 36 E HN 0.314 nan 8.360 nan 0.000 0.454 37 M N 0.347 119.946 119.600 -0.002 0.000 2.520 37 M HA 0.335 4.812 4.480 -0.006 0.000 0.283 37 M C -1.406 174.867 176.300 -0.044 0.000 1.237 37 M CA -0.563 54.716 55.300 -0.035 0.000 0.885 37 M CB 1.831 34.400 32.600 -0.051 0.000 1.727 37 M HN 0.323 nan 8.290 nan 0.000 0.468 38 R N 2.183 122.641 120.500 -0.069 0.000 2.522 38 R HA 0.019 4.356 4.340 -0.006 0.000 0.284 38 R C 0.179 176.449 176.300 -0.051 0.000 1.032 38 R CA -0.231 55.832 56.100 -0.060 0.000 1.049 38 R CB 0.198 30.449 30.300 -0.081 0.000 0.956 38 R HN 0.618 nan 8.270 nan 0.000 0.422 39 D N 2.204 122.590 120.400 -0.023 0.000 2.126 39 D HA -0.199 4.438 4.640 -0.006 0.000 0.190 39 D C 0.974 177.293 176.300 0.033 0.000 1.001 39 D CA 1.586 55.587 54.000 0.002 0.000 0.841 39 D CB 0.003 40.803 40.800 -0.001 0.000 0.949 39 D HN 0.534 nan 8.370 nan 0.000 0.446 40 D N -0.066 120.346 120.400 0.020 0.000 2.178 40 D HA -0.085 4.552 4.640 -0.006 0.000 0.201 40 D C 2.276 178.620 176.300 0.073 0.000 0.980 40 D CA 0.299 54.346 54.000 0.078 0.000 0.842 40 D CB -0.147 40.680 40.800 0.046 0.000 0.948 40 D HN 0.105 nan 8.370 nan 0.000 0.472 41 V N 1.401 121.260 119.914 -0.091 0.000 2.358 41 V HA -0.196 3.920 4.120 -0.006 0.000 0.246 41 V C 2.559 178.544 176.094 -0.182 0.000 1.047 41 V CA 1.649 63.755 62.300 -0.324 0.000 1.035 41 V CB -0.752 30.747 31.823 -0.540 0.000 0.658 41 V HN 0.168 nan 8.190 nan 0.000 0.452 42 A N -0.255 122.517 122.820 -0.080 0.000 1.902 42 A HA -0.241 4.076 4.320 -0.006 0.000 0.217 42 A C 2.110 179.710 177.584 0.026 0.000 1.181 42 A CA 2.045 54.063 52.037 -0.032 0.000 0.623 42 A CB -0.690 18.304 19.000 -0.011 0.000 0.818 42 A HN 0.542 nan 8.150 nan 0.000 0.443 43 F N 0.719 120.653 119.950 -0.026 0.000 2.075 43 F HA -0.192 4.332 4.527 -0.006 0.000 0.297 43 F C 2.455 178.283 175.800 0.047 0.000 1.113 43 F CA 2.254 60.258 58.000 0.008 0.000 1.218 43 F CB -0.535 38.470 39.000 0.008 0.000 0.984 43 F HN 0.306 nan 8.300 nan 0.000 0.472 44 Q N 0.301 120.076 119.800 -0.040 0.000 2.124 44 Q HA -0.181 4.156 4.340 -0.006 0.000 0.202 44 Q C 2.419 178.403 176.000 -0.027 0.000 0.977 44 Q CA 1.982 57.757 55.803 -0.047 0.000 0.850 44 Q CB -0.259 28.648 28.738 0.282 0.000 0.901 44 Q HN 0.529 nan 8.270 nan 0.000 0.429 45 I N 0.417 121.011 120.570 0.040 0.000 2.179 45 I HA -0.299 3.868 4.170 -0.006 0.000 0.242 45 I C 2.155 178.246 176.117 -0.044 0.000 1.088 45 I CA 1.249 62.582 61.300 0.055 0.000 1.357 45 I CB -0.178 37.845 38.000 0.039 0.000 1.051 45 I HN 0.220 nan 8.210 nan 0.000 0.409 46 I N 0.506 121.008 120.570 -0.114 0.000 2.286 46 I HA -0.277 3.890 4.170 -0.006 0.000 0.245 46 I C 2.291 178.308 176.117 -0.168 0.000 1.104 46 I CA 1.301 62.526 61.300 -0.125 0.000 1.397 46 I CB -0.514 37.417 38.000 -0.116 0.000 1.072 46 I HN 0.305 nan 8.210 nan 0.000 0.417 47 N N 1.314 119.808 118.700 -0.345 0.000 2.104 47 N HA -0.235 4.501 4.740 -0.006 0.000 0.190 47 N C 1.470 177.000 175.510 0.032 0.000 1.024 47 N CA 1.825 54.695 53.050 -0.299 0.000 0.853 47 N CB -0.083 38.024 38.487 -0.633 0.000 1.008 47 N HN 0.172 nan 8.380 nan 0.000 0.424 48 D N -0.033 120.363 120.400 -0.007 0.000 2.144 48 D HA -0.165 4.472 4.640 -0.006 0.000 0.199 48 D C 1.563 177.911 176.300 0.080 0.000 0.984 48 D CA 1.180 55.186 54.000 0.009 0.000 0.834 48 D CB -0.344 40.401 40.800 -0.092 0.000 0.955 48 D HN 0.746 nan 8.370 nan 0.000 0.465 49 E N 0.305 120.527 120.200 0.036 0.000 2.435 49 E HA -0.010 4.337 4.350 -0.006 0.000 0.195 49 E C 1.972 178.601 176.600 0.048 0.000 1.029 49 E CA 0.108 56.528 56.400 0.033 0.000 0.865 49 E CB -0.301 29.397 29.700 -0.003 0.000 0.833 49 E HN 0.241 nan 8.360 nan 0.000 0.510 50 L N 0.203 121.455 121.223 0.048 0.000 2.465 50 L HA -0.061 4.276 4.340 -0.006 0.000 0.224 50 L C 1.482 178.337 176.870 -0.024 0.000 1.145 50 L CA 0.586 55.418 54.840 -0.014 0.000 0.834 50 L CB -0.297 41.720 42.059 -0.070 0.000 0.944 50 L HN 0.133 nan 8.230 nan 0.000 0.451 51 Y N -0.213 120.048 120.300 -0.065 0.000 2.497 51 Y HA -0.160 4.386 4.550 -0.006 0.000 0.292 51 Y C 2.168 178.037 175.900 -0.051 0.000 1.137 51 Y CA 0.870 58.937 58.100 -0.055 0.000 1.285 51 Y CB -0.264 38.163 38.460 -0.055 0.000 0.991 51 Y HN 0.140 nan 8.280 nan 0.000 0.556 52 L N -0.685 120.587 121.223 0.083 0.000 2.465 52 L HA -0.080 4.256 4.340 -0.006 0.000 0.224 52 L C 0.241 177.106 176.870 -0.009 0.000 1.145 52 L CA 0.308 55.165 54.840 0.028 0.000 0.834 52 L CB -0.275 41.792 42.059 0.012 0.000 0.944 52 L HN 0.028 nan 8.230 nan 0.000 0.451 53 D N 0.203 120.585 120.400 -0.030 0.000 2.339 53 D HA 0.264 4.901 4.640 -0.006 0.000 0.245 53 D C 0.432 176.698 176.300 -0.058 0.000 1.115 53 D CA 0.194 54.163 54.000 -0.052 0.000 0.917 53 D CB 1.417 42.175 40.800 -0.070 0.000 1.192 53 D HN 0.036 nan 8.370 nan 0.000 0.428 54 G N 0.049 108.815 108.800 -0.056 0.000 2.562 54 G HA2 0.184 4.141 3.960 -0.006 0.000 0.275 54 G HA3 0.184 4.141 3.960 -0.006 0.000 0.275 54 G C 0.729 175.588 174.900 -0.068 0.000 1.196 54 G CA -0.508 44.557 45.100 -0.058 0.000 0.908 54 G HN 0.538 nan 8.290 nan 0.000 0.524 55 N N -1.499 117.159 118.700 -0.070 0.000 2.236 55 N HA 0.286 5.023 4.740 -0.006 0.000 0.196 55 N C 1.277 176.754 175.510 -0.055 0.000 1.114 55 N CA 0.948 53.956 53.050 -0.070 0.000 0.859 55 N CB 0.585 39.028 38.487 -0.075 0.000 0.982 55 N HN 1.164 nan 8.380 nan 0.000 0.493 56 A N -0.310 122.479 122.820 -0.051 0.000 3.132 56 A HA -0.309 4.008 4.320 -0.006 0.000 0.266 56 A C 1.645 179.203 177.584 -0.043 0.000 1.216 56 A CA 1.328 53.342 52.037 -0.038 0.000 0.985 56 A CB -1.861 17.123 19.000 -0.026 0.000 1.102 56 A HN 0.285 nan 8.150 nan 0.000 0.833 57 R N -0.468 119.997 120.500 -0.059 0.000 2.120 57 R HA -0.076 4.261 4.340 -0.006 0.000 0.234 57 R C 1.711 177.965 176.300 -0.077 0.000 1.123 57 R CA 1.789 57.847 56.100 -0.071 0.000 0.975 57 R CB -0.338 29.908 30.300 -0.090 0.000 0.866 57 R HN 0.882 nan 8.270 nan 0.000 0.446 58 Q N 0.241 119.976 119.800 -0.109 0.000 2.247 58 Q HA 0.084 4.420 4.340 -0.006 0.000 0.204 58 Q C -0.133 175.906 176.000 0.065 0.000 0.872 58 Q CA -0.303 55.430 55.803 -0.116 0.000 0.951 58 Q CB 0.399 28.849 28.738 -0.479 0.000 1.099 58 Q HN 0.106 nan 8.270 nan 0.000 0.501 59 N N 1.165 119.870 118.700 0.009 0.000 2.408 59 N HA 0.089 4.826 4.740 -0.006 0.000 0.257 59 N C -0.230 175.263 175.510 -0.027 0.000 1.064 59 N CA 0.091 53.154 53.050 0.022 0.000 0.952 59 N CB 0.726 39.218 38.487 0.009 0.000 1.093 59 N HN 0.220 nan 8.380 nan 0.000 0.490 60 L N 2.780 123.985 121.223 -0.029 0.000 2.872 60 L HA 0.310 4.647 4.340 -0.006 0.000 0.245 60 L C 1.460 178.270 176.870 -0.100 0.000 1.211 60 L CA -0.184 54.566 54.840 -0.151 0.000 1.013 60 L CB 0.181 42.101 42.059 -0.232 0.000 1.326 60 L HN 0.507 nan 8.230 nan 0.000 0.525 61 A N -0.790 122.015 122.820 -0.025 0.000 1.973 61 A HA 0.081 4.397 4.320 -0.006 0.000 0.210 61 A C 1.287 178.877 177.584 0.011 0.000 1.200 61 A CA 0.508 52.557 52.037 0.019 0.000 0.707 61 A CB 0.135 19.204 19.000 0.115 0.000 0.862 61 A HN 0.248 nan 8.150 nan 0.000 0.461 62 T N -1.603 112.981 114.554 0.050 0.000 2.868 62 T HA 0.412 4.758 4.350 -0.006 0.000 0.292 62 T C 0.279 175.002 174.700 0.038 0.000 1.028 62 T CA -0.205 61.980 62.100 0.141 0.000 1.059 62 T CB 0.127 69.079 68.868 0.140 0.000 0.991 62 T HN 0.175 nan 8.240 nan 0.000 0.531 63 F N 0.817 120.749 119.950 -0.030 0.000 2.714 63 F HA 0.299 4.823 4.527 -0.005 0.000 0.294 63 F C 1.668 177.373 175.800 -0.159 0.000 1.120 63 F CA -0.685 57.252 58.000 -0.105 0.000 1.398 63 F CB -0.323 38.662 39.000 -0.025 0.000 1.120 63 F HN 0.416 nan 8.300 nan 0.000 0.589 64 C N 2.359 121.735 119.300 0.126 0.000 2.662 64 C HA 0.143 4.599 4.460 -0.006 0.000 0.420 64 C C 0.800 175.786 174.990 -0.006 0.000 1.314 64 C CA -1.159 57.879 59.018 0.034 0.000 1.963 64 C CB -0.291 27.430 27.740 -0.032 0.000 2.686 64 C HN 0.225 nan 8.230 nan 0.000 0.609 65 Q N 1.795 121.599 119.800 0.007 0.000 2.283 65 Q HA 0.069 4.406 4.340 -0.006 0.000 0.301 65 Q C 1.161 177.180 176.000 0.032 0.000 1.063 65 Q CA 0.923 56.742 55.803 0.027 0.000 0.952 65 Q CB 0.477 29.252 28.738 0.062 0.000 1.166 65 Q HN 1.008 nan 8.270 nan 0.000 0.381 66 T N -2.289 112.305 114.554 0.067 0.000 3.087 66 T HA 0.108 4.455 4.350 -0.006 0.000 0.283 66 T C 0.006 174.782 174.700 0.126 0.000 0.956 66 T CA -0.588 61.547 62.100 0.059 0.000 0.894 66 T CB 0.037 68.921 68.868 0.027 0.000 1.160 66 T HN 0.445 nan 8.240 nan 0.000 0.532 67 W N 2.602 123.889 121.300 -0.021 0.000 2.183 67 W HA 0.565 5.222 4.660 -0.006 0.000 0.348 67 W C -1.021 175.518 176.519 0.033 0.000 1.257 67 W CA -0.474 56.868 57.345 -0.005 0.000 1.324 67 W CB 0.692 30.150 29.460 -0.003 0.000 1.144 67 W HN -0.010 nan 8.180 nan 0.000 0.622 68 D N 2.862 122.760 120.400 -0.837 0.000 2.391 68 D HA 0.077 4.714 4.640 -0.006 0.000 0.245 68 D C -1.461 174.239 176.300 -0.999 0.000 1.069 68 D CA -0.262 53.378 54.000 -0.599 0.000 0.831 68 D CB 1.696 42.288 40.800 -0.346 0.000 1.204 68 D HN 0.220 nan 8.370 nan 0.000 0.503 69 D N 1.846 121.982 120.400 -0.441 0.000 2.492 69 D HA 0.036 4.673 4.640 -0.006 0.000 0.248 69 D C 0.816 177.080 176.300 -0.060 0.000 1.101 69 D CA -0.406 53.408 54.000 -0.311 0.000 0.840 69 D CB 1.827 42.622 40.800 -0.009 0.000 1.209 69 D HN 0.384 nan 8.370 nan 0.000 0.524 70 E N 3.124 123.253 120.200 -0.118 0.000 2.097 70 E HA -0.253 4.093 4.350 -0.006 0.000 0.196 70 E C 0.870 177.441 176.600 -0.049 0.000 1.000 70 E CA 1.204 57.549 56.400 -0.091 0.000 0.804 70 E CB 0.250 29.889 29.700 -0.102 0.000 0.740 70 E HN 0.397 nan 8.360 nan 0.000 0.454 71 N N 0.077 118.726 118.700 -0.086 0.000 2.166 71 N HA -0.135 4.602 4.740 -0.006 0.000 0.186 71 N C 1.844 177.158 175.510 -0.327 0.000 1.019 71 N CA 1.080 53.991 53.050 -0.231 0.000 0.856 71 N CB -0.254 38.022 38.487 -0.353 0.000 0.993 71 N HN 0.084 nan 8.380 nan 0.000 0.426 72 V N 1.256 121.031 119.914 -0.233 0.000 2.427 72 V HA -0.179 3.938 4.120 -0.006 0.000 0.248 72 V C 2.094 178.096 176.094 -0.152 0.000 1.051 72 V CA 1.313 63.496 62.300 -0.194 0.000 1.048 72 V CB -0.552 31.226 31.823 -0.075 0.000 0.666 72 V HN 0.423 nan 8.190 nan 0.000 0.456 73 H N 0.410 119.394 119.070 -0.143 0.000 2.353 73 H HA -0.113 4.439 4.556 -0.006 0.000 0.300 73 H C 2.397 177.662 175.328 -0.105 0.000 1.090 73 H CA 1.630 57.609 56.048 -0.114 0.000 1.327 73 H CB 0.148 29.841 29.762 -0.114 0.000 1.383 73 H HN 0.436 nan 8.280 nan 0.000 0.508 74 K N 0.504 120.904 120.400 0.000 0.000 2.057 74 K HA -0.079 4.238 4.320 -0.006 0.000 0.206 74 K C 2.415 178.977 176.600 -0.063 0.000 1.050 74 K CA 0.731 56.995 56.287 -0.038 0.000 0.935 74 K CB -0.029 32.435 32.500 -0.060 0.000 0.715 74 K HN 0.154 nan 8.250 nan 0.000 0.439 75 L N 0.470 121.628 121.223 -0.109 0.000 2.046 75 L HA -0.178 4.158 4.340 -0.006 0.000 0.208 75 L C 2.583 179.412 176.870 -0.068 0.000 1.077 75 L CA 0.825 55.609 54.840 -0.093 0.000 0.747 75 L CB -0.328 41.650 42.059 -0.134 0.000 0.896 75 L HN 0.245 nan 8.230 nan 0.000 0.432 76 M N -0.606 118.942 119.600 -0.086 0.000 2.132 76 M HA -0.226 4.250 4.480 -0.006 0.000 0.263 76 M C 1.915 178.179 176.300 -0.060 0.000 1.065 76 M CA 1.694 56.944 55.300 -0.083 0.000 1.122 76 M CB -1.114 31.409 32.600 -0.128 0.000 1.365 76 M HN 0.215 nan 8.290 nan 0.000 0.411 77 D N 0.355 120.727 120.400 -0.046 0.000 2.144 77 D HA -0.125 4.512 4.640 -0.006 0.000 0.199 77 D C 2.030 178.316 176.300 -0.024 0.000 0.984 77 D CA 0.995 54.979 54.000 -0.027 0.000 0.834 77 D CB 0.044 40.837 40.800 -0.012 0.000 0.955 77 D HN 0.303 nan 8.370 nan 0.000 0.465 78 L N -0.375 120.834 121.223 -0.024 0.000 2.291 78 L HA -0.005 4.331 4.340 -0.006 0.000 0.214 78 L C 1.841 178.701 176.870 -0.016 0.000 1.120 78 L CA 0.699 55.531 54.840 -0.013 0.000 0.799 78 L CB 0.014 42.068 42.059 -0.008 0.000 0.925 78 L HN -0.025 nan 8.230 nan 0.000 0.446 79 S N -0.660 115.021 115.700 -0.032 0.000 2.556 79 S HA 0.120 4.587 4.470 -0.006 0.000 0.216 79 S C 1.757 176.315 174.600 -0.071 0.000 0.970 79 S CA -0.231 57.939 58.200 -0.051 0.000 0.912 79 S CB 0.109 63.281 63.200 -0.046 0.000 0.790 79 S HN 0.307 nan 8.310 nan 0.000 0.504 80 I N 2.264 122.803 120.570 -0.052 0.000 2.300 80 I HA -0.270 3.897 4.170 -0.006 0.000 0.252 80 I C 0.770 176.851 176.117 -0.060 0.000 1.119 80 I CA 1.331 62.601 61.300 -0.049 0.000 1.384 80 I CB 0.065 38.047 38.000 -0.030 0.000 1.062 80 I HN 0.229 nan 8.210 nan 0.000 0.426 81 N N 0.786 119.444 118.700 -0.069 0.000 2.205 81 N HA 0.103 4.839 4.740 -0.006 0.000 0.201 81 N C -0.318 175.045 175.510 -0.244 0.000 1.128 81 N CA 0.112 53.114 53.050 -0.080 0.000 0.867 81 N CB 0.305 38.790 38.487 -0.004 0.000 0.996 81 N HN 0.317 nan 8.380 nan 0.000 0.503 82 K N 1.705 121.892 120.400 -0.356 0.000 2.349 82 K HA 0.104 4.420 4.320 -0.006 0.000 0.289 82 K C -0.071 176.153 176.600 -0.626 0.000 1.064 82 K CA -0.268 55.531 56.287 -0.813 0.000 0.947 82 K CB 0.474 32.704 32.500 -0.450 0.000 1.007 82 K HN -0.087 nan 8.250 nan 0.000 0.478 83 N N 2.935 121.140 118.700 -0.824 0.000 2.406 83 N HA -0.034 4.703 4.740 -0.006 0.000 0.251 83 N C 0.397 175.865 175.510 -0.071 0.000 1.069 83 N CA -0.280 52.631 53.050 -0.233 0.000 0.947 83 N CB 0.405 38.880 38.487 -0.020 0.000 1.111 83 N HN 0.646 nan 8.380 nan 0.000 0.497 84 W N 5.141 126.343 121.300 -0.163 0.000 2.325 84 W HA -0.179 4.477 4.660 -0.006 0.000 0.299 84 W C 1.536 178.000 176.519 -0.091 0.000 1.215 84 W CA 0.874 58.152 57.345 -0.112 0.000 1.244 84 W CB -0.107 29.285 29.460 -0.113 0.000 1.140 84 W HN 0.628 nan 8.180 nan 0.000 0.523 85 I N 0.443 120.939 120.570 -0.125 0.000 2.761 85 I HA -0.084 4.083 4.170 -0.006 0.000 0.261 85 I C 0.711 176.699 176.117 -0.215 0.000 1.198 85 I CA 1.154 62.215 61.300 -0.400 0.000 1.482 85 I CB -0.542 37.083 38.000 -0.625 0.000 1.100 85 I HN -0.224 nan 8.210 nan 0.000 0.445 86 D N 0.509 120.893 120.400 -0.027 0.000 2.558 86 D HA 0.013 4.650 4.640 -0.006 0.000 0.221 86 D C 1.283 177.651 176.300 0.113 0.000 1.143 86 D CA 0.042 54.127 54.000 0.141 0.000 1.010 86 D CB 0.511 41.472 40.800 0.268 0.000 1.068 86 D HN -0.034 nan 8.370 nan 0.000 0.511 87 K N 0.873 121.251 120.400 -0.037 0.000 2.152 87 K HA -0.140 4.177 4.320 -0.006 0.000 0.206 87 K C 1.682 178.193 176.600 -0.148 0.000 1.048 87 K CA 0.772 56.921 56.287 -0.231 0.000 0.933 87 K CB 0.092 32.211 32.500 -0.634 0.000 0.721 87 K HN 0.429 nan 8.250 nan 0.000 0.447 88 E N 0.082 120.274 120.200 -0.014 0.000 2.031 88 E HA -0.226 4.121 4.350 -0.006 0.000 0.193 88 E C 1.709 178.253 176.600 -0.093 0.000 0.994 88 E CA 1.340 57.746 56.400 0.011 0.000 0.800 88 E CB 0.065 29.861 29.700 0.161 0.000 0.752 88 E HN 0.210 nan 8.360 nan 0.000 0.447 89 E N -0.781 119.312 120.200 -0.177 0.000 2.299 89 E HA -0.082 4.264 4.350 -0.006 0.000 0.193 89 E C -0.339 175.817 176.600 -0.741 0.000 0.998 89 E CA 0.687 56.795 56.400 -0.486 0.000 0.851 89 E CB 0.177 29.477 29.700 -0.666 0.000 0.795 89 E HN 0.256 nan 8.360 nan 0.000 0.492 90 Y N -0.641 119.643 120.300 -0.027 0.000 2.638 90 Y HA 0.335 4.881 4.550 -0.006 0.000 0.367 90 Y C -2.007 173.856 175.900 -0.063 0.000 1.001 90 Y CA -2.511 55.569 58.100 -0.034 0.000 1.133 90 Y CB 1.130 39.575 38.460 -0.025 0.000 1.199 90 Y HN 0.080 nan 8.280 nan 0.000 0.642 91 P HA -0.187 nan 4.420 nan 0.000 0.217 91 P C 1.711 178.998 177.300 -0.021 0.000 1.150 91 P CA 1.218 64.292 63.100 -0.042 0.000 0.832 91 P CB 0.577 32.244 31.700 -0.056 0.000 0.787 92 Q N -0.158 119.649 119.800 0.011 0.000 2.119 92 Q HA -0.058 4.278 4.340 -0.006 0.000 0.201 92 Q C 2.210 178.218 176.000 0.012 0.000 0.972 92 Q CA 1.730 57.540 55.803 0.011 0.000 0.847 92 Q CB -1.145 27.612 28.738 0.031 0.000 0.903 92 Q HN 0.071 nan 8.270 nan 0.000 0.433 93 S N -0.014 115.717 115.700 0.051 0.000 2.368 93 S HA -0.101 4.366 4.470 -0.006 0.000 0.225 93 S C 1.863 176.472 174.600 0.015 0.000 1.030 93 S CA 0.938 59.167 58.200 0.050 0.000 0.999 93 S CB -0.452 62.795 63.200 0.078 0.000 0.844 93 S HN 0.574 nan 8.310 nan 0.000 0.459 94 A N 1.502 124.306 122.820 -0.026 0.000 1.933 94 A HA 0.126 4.443 4.320 -0.006 0.000 0.218 94 A C 2.327 179.873 177.584 -0.063 0.000 1.175 94 A CA 1.652 53.634 52.037 -0.092 0.000 0.628 94 A CB -0.992 17.913 19.000 -0.159 0.000 0.814 94 A HN 0.505 nan 8.150 nan 0.000 0.444 95 A N 0.007 122.791 122.820 -0.060 0.000 1.873 95 A HA -0.068 4.248 4.320 -0.006 0.000 0.215 95 A C 2.106 179.633 177.584 -0.095 0.000 1.186 95 A CA 1.478 53.476 52.037 -0.065 0.000 0.616 95 A CB -0.613 18.352 19.000 -0.059 0.000 0.823 95 A HN 0.476 nan 8.150 nan 0.000 0.442 96 I N -0.161 120.328 120.570 -0.134 0.000 2.264 96 I HA -0.265 3.902 4.170 -0.006 0.000 0.248 96 I C 2.269 178.309 176.117 -0.128 0.000 1.111 96 I CA 1.829 62.953 61.300 -0.294 0.000 1.382 96 I CB -0.349 37.478 38.000 -0.288 0.000 1.060 96 I HN 0.385 nan 8.210 nan 0.000 0.418 97 D N 1.039 121.463 120.400 0.039 0.000 2.117 97 D HA -0.177 4.460 4.640 -0.006 0.000 0.197 97 D C 2.232 178.654 176.300 0.203 0.000 0.987 97 D CA 1.399 55.532 54.000 0.221 0.000 0.829 97 D CB -0.065 40.900 40.800 0.275 0.000 0.961 97 D HN 0.241 nan 8.370 nan 0.000 0.460 98 L N -0.240 121.035 121.223 0.088 0.000 2.046 98 L HA -0.104 4.233 4.340 -0.006 0.000 0.208 98 L C 2.758 179.657 176.870 0.048 0.000 1.077 98 L CA 1.041 55.925 54.840 0.074 0.000 0.747 98 L CB -0.286 41.785 42.059 0.019 0.000 0.896 98 L HN 0.021 nan 8.230 nan 0.000 0.432 99 R N -1.028 119.468 120.500 -0.006 0.000 2.083 99 R HA -0.177 4.159 4.340 -0.006 0.000 0.237 99 R C 2.406 178.736 176.300 0.049 0.000 1.137 99 R CA 1.764 57.862 56.100 -0.004 0.000 0.951 99 R CB -0.799 29.447 30.300 -0.091 0.000 0.851 99 R HN 0.406 nan 8.270 nan 0.000 0.434 100 C N -0.007 119.338 119.300 0.074 0.000 2.413 100 C HA -0.072 4.385 4.460 -0.006 0.000 0.276 100 C C 2.712 177.591 174.990 -0.185 0.000 1.248 100 C CA 0.456 59.500 59.018 0.045 0.000 1.742 100 C CB -0.655 27.105 27.740 0.034 0.000 2.017 100 C HN 0.311 nan 8.230 nan 0.000 0.481 101 V N 1.855 121.754 119.914 -0.024 0.000 2.295 101 V HA -0.223 3.893 4.120 -0.006 0.000 0.246 101 V C 2.261 178.317 176.094 -0.065 0.000 1.049 101 V CA 2.098 64.407 62.300 0.016 0.000 1.024 101 V CB -0.676 31.268 31.823 0.201 0.000 0.648 101 V HN 0.547 nan 8.190 nan 0.000 0.447 102 N N -0.139 118.541 118.700 -0.035 0.000 2.120 102 N HA -0.118 4.619 4.740 -0.006 0.000 0.188 102 N C 1.831 177.259 175.510 -0.136 0.000 1.024 102 N CA 1.635 54.649 53.050 -0.061 0.000 0.852 102 N CB -0.313 38.157 38.487 -0.028 0.000 1.003 102 N HN 0.447 nan 8.380 nan 0.000 0.424 103 M N 0.131 119.643 119.600 -0.147 0.000 2.159 103 M HA -0.089 4.387 4.480 -0.006 0.000 0.263 103 M C 2.080 178.118 176.300 -0.437 0.000 1.063 103 M CA 0.994 56.148 55.300 -0.244 0.000 1.110 103 M CB -0.152 32.330 32.600 -0.196 0.000 1.374 103 M HN -0.101 nan 8.290 nan 0.000 0.411 104 V N 0.341 119.948 119.914 -0.513 0.000 2.358 104 V HA -0.204 3.913 4.120 -0.006 0.000 0.246 104 V C 2.655 178.277 176.094 -0.787 0.000 1.047 104 V CA 1.867 63.674 62.300 -0.822 0.000 1.035 104 V CB -1.183 30.087 31.823 -0.922 0.000 0.658 104 V HN 0.496 nan 8.190 nan 0.000 0.452 105 A N 0.317 122.898 122.820 -0.398 0.000 1.877 105 A HA -0.318 3.999 4.320 -0.006 0.000 0.216 105 A C 2.051 179.531 177.584 -0.174 0.000 1.186 105 A CA 2.297 54.232 52.037 -0.169 0.000 0.620 105 A CB -0.745 18.200 19.000 -0.092 0.000 0.822 105 A HN 0.598 nan 8.150 nan 0.000 0.443 106 D N -0.700 119.559 120.400 -0.235 0.000 2.117 106 D HA -0.154 4.482 4.640 -0.006 0.000 0.197 106 D C 1.731 177.831 176.300 -0.333 0.000 0.987 106 D CA 1.278 55.139 54.000 -0.232 0.000 0.829 106 D CB -0.223 40.454 40.800 -0.205 0.000 0.961 106 D HN 0.231 nan 8.370 nan 0.000 0.460 107 L N -0.360 120.606 121.223 -0.428 0.000 2.127 107 L HA -0.088 4.248 4.340 -0.006 0.000 0.211 107 L C 1.052 177.742 176.870 -0.299 0.000 1.089 107 L CA 1.228 55.788 54.840 -0.468 0.000 0.757 107 L CB -0.370 41.308 42.059 -0.635 0.000 0.899 107 L HN 0.268 nan 8.230 nan 0.000 0.434 108 W N -0.642 120.477 121.300 -0.302 0.000 3.325 108 W HA 0.248 4.905 4.660 -0.006 0.000 0.370 108 W C 0.520 176.991 176.519 -0.081 0.000 1.169 108 W CA -0.231 56.940 57.345 -0.289 0.000 1.874 108 W CB -1.494 27.811 29.460 -0.260 0.000 1.076 108 W HN 0.419 nan 8.180 nan 0.000 0.684 109 H N -1.269 117.844 119.070 0.071 0.000 2.862 109 H HA -0.104 4.448 4.556 -0.006 0.000 0.290 109 H C 0.936 176.310 175.328 0.078 0.000 1.211 109 H CA 0.468 56.530 56.048 0.024 0.000 1.140 109 H CB -1.484 28.242 29.762 -0.060 0.000 1.341 109 H HN 0.087 nan 8.280 nan 0.000 0.392 110 A N 0.648 123.538 122.820 0.116 0.000 2.462 110 A HA 0.411 4.728 4.320 -0.006 0.000 0.243 110 A C -1.569 175.921 177.584 -0.158 0.000 1.076 110 A CA -0.980 50.909 52.037 -0.246 0.000 0.773 110 A CB 0.271 19.013 19.000 -0.431 0.000 1.010 110 A HN 0.154 nan 8.150 nan 0.000 0.493 111 P HA 0.219 nan 4.420 nan 0.000 0.267 111 P C -0.091 177.158 177.300 -0.086 0.000 1.200 111 P CA 0.442 63.484 63.100 -0.096 0.000 0.772 111 P CB 0.479 32.125 31.700 -0.091 0.000 0.855 112 A N 4.915 127.704 122.820 -0.053 0.000 2.548 112 A HA 0.239 4.555 4.320 -0.006 0.000 0.247 112 A C -1.769 175.791 177.584 -0.040 0.000 1.067 112 A CA -0.664 51.347 52.037 -0.044 0.000 0.757 112 A CB -1.361 17.622 19.000 -0.029 0.000 0.996 112 A HN 0.432 nan 8.150 nan 0.000 0.504 113 P HA 0.125 nan 4.420 nan 0.000 0.267 113 P C 0.223 177.512 177.300 -0.017 0.000 1.200 113 P CA -0.134 62.951 63.100 -0.025 0.000 0.772 113 P CB 0.569 32.259 31.700 -0.017 0.000 0.855 114 K N 2.074 122.466 120.400 -0.013 0.000 1.980 114 K HA -0.115 4.201 4.320 -0.006 0.000 0.208 114 K C 1.664 178.259 176.600 -0.007 0.000 1.043 114 K CA 1.644 57.925 56.287 -0.010 0.000 0.938 114 K CB -0.813 31.683 32.500 -0.008 0.000 0.724 114 K HN 0.464 nan 8.250 nan 0.000 0.438 115 N N -0.183 118.514 118.700 -0.005 0.000 2.270 115 N HA -0.043 4.694 4.740 -0.006 0.000 0.181 115 N C 1.276 176.784 175.510 -0.004 0.000 1.016 115 N CA 1.796 54.844 53.050 -0.003 0.000 0.870 115 N CB 0.037 38.523 38.487 -0.001 0.000 0.979 115 N HN 0.395 nan 8.380 nan 0.000 0.431 116 G N -1.067 107.731 108.800 -0.004 0.000 2.672 116 G HA2 -0.166 3.791 3.960 -0.006 0.000 0.197 116 G HA3 -0.166 3.791 3.960 -0.006 0.000 0.197 116 G C -0.386 174.513 174.900 -0.002 0.000 0.995 116 G CA 0.057 45.155 45.100 -0.005 0.000 0.754 116 G HN 0.593 nan 8.290 nan 0.000 0.505 117 Q N 1.320 121.123 119.800 0.005 0.000 2.316 117 Q HA 0.816 5.153 4.340 -0.006 0.000 0.264 117 Q C 0.276 176.291 176.000 0.025 0.000 0.987 117 Q CA 0.327 56.140 55.803 0.016 0.000 0.852 117 Q CB 1.498 30.251 28.738 0.025 0.000 1.287 117 Q HN 0.932 nan 8.270 nan 0.000 0.448 118 A N 2.835 125.672 122.820 0.028 0.000 2.406 118 A HA 0.465 4.782 4.320 -0.006 0.000 0.243 118 A C -0.610 177.036 177.584 0.104 0.000 1.082 118 A CA -0.439 51.620 52.037 0.037 0.000 0.786 118 A CB 0.490 19.500 19.000 0.016 0.000 1.029 118 A HN 0.600 nan 8.150 nan 0.000 0.495 119 V N 1.638 121.638 119.914 0.143 0.000 2.348 119 V HA 0.651 4.768 4.120 -0.006 0.000 0.270 119 V C 0.774 177.148 176.094 0.466 0.000 1.037 119 V CA 0.858 63.313 62.300 0.258 0.000 0.872 119 V CB -0.024 31.941 31.823 0.236 0.000 1.002 119 V HN 1.485 nan 8.190 nan 0.000 0.464 120 G N 2.987 112.096 108.800 0.515 0.000 2.322 120 G HA2 0.566 4.522 3.960 -0.006 0.000 0.295 120 G HA3 0.566 4.522 3.960 -0.006 0.000 0.295 120 G C -1.078 174.155 174.900 0.556 0.000 1.369 120 G CA 0.073 45.555 45.100 0.636 0.000 0.821 120 G HN 0.704 nan 8.290 nan 0.000 0.536 121 T N -0.646 114.239 114.554 0.551 0.000 2.853 121 T HA 0.514 4.861 4.350 -0.006 0.000 0.311 121 T C -0.995 173.947 174.700 0.403 0.000 1.307 121 T CA -0.636 61.765 62.100 0.502 0.000 1.019 121 T CB 1.716 70.879 68.868 0.491 0.000 1.264 121 T HN 0.820 nan 8.240 nan 0.000 0.497 122 N N 1.139 120.006 118.700 0.278 0.000 2.483 122 N HA 0.512 5.248 4.740 -0.006 0.000 0.269 122 N C -0.382 174.862 175.510 -0.444 0.000 1.209 122 N CA 0.115 52.954 53.050 -0.351 0.000 0.969 122 N CB 1.361 39.545 38.487 -0.504 0.000 1.173 122 N HN 0.890 nan 8.380 nan 0.000 0.475 123 T N -0.753 113.433 114.554 -0.613 0.000 2.812 123 T HA 0.366 4.712 4.350 -0.006 0.000 0.294 123 T C 1.402 175.803 174.700 -0.498 0.000 1.159 123 T CA -0.793 61.017 62.100 -0.483 0.000 1.008 123 T CB 0.698 69.400 68.868 -0.276 0.000 1.289 123 T HN 0.248 nan 8.240 nan 0.000 0.514 124 I N 0.793 121.154 120.570 -0.349 0.000 2.394 124 I HA 0.239 4.406 4.170 -0.006 0.000 0.251 124 I C 1.459 177.494 176.117 -0.137 0.000 1.136 124 I CA 1.693 62.848 61.300 -0.242 0.000 1.425 124 I CB -1.183 36.725 38.000 -0.153 0.000 1.079 124 I HN 1.022 nan 8.210 nan 0.000 0.425 125 G N -1.585 107.129 108.800 -0.142 0.000 2.489 125 G HA2 0.202 4.159 3.960 -0.006 0.000 0.305 125 G HA3 0.202 4.159 3.960 -0.006 0.000 0.305 125 G C 0.150 174.987 174.900 -0.106 0.000 1.311 125 G CA 0.089 45.138 45.100 -0.087 0.000 0.813 125 G HN -0.152 nan 8.290 nan 0.000 0.480 126 S N -0.400 115.269 115.700 -0.051 0.000 2.423 126 S HA -0.029 4.438 4.470 -0.006 0.000 0.231 126 S C 2.591 177.133 174.600 -0.095 0.000 1.014 126 S CA 1.699 59.878 58.200 -0.034 0.000 0.965 126 S CB -0.214 62.995 63.200 0.016 0.000 0.785 126 S HN 0.511 nan 8.310 nan 0.000 0.495 127 S N 1.291 116.937 115.700 -0.090 0.000 2.351 127 S HA -0.191 4.275 4.470 -0.006 0.000 0.220 127 S C 1.936 176.441 174.600 -0.158 0.000 1.035 127 S CA 1.491 59.608 58.200 -0.139 0.000 1.031 127 S CB -0.406 62.758 63.200 -0.060 0.000 0.928 127 S HN 0.687 nan 8.310 nan 0.000 0.433 128 E N 1.155 121.292 120.200 -0.104 0.000 2.058 128 E HA -0.178 4.168 4.350 -0.006 0.000 0.194 128 E C 2.123 178.627 176.600 -0.161 0.000 0.997 128 E CA 1.099 57.435 56.400 -0.107 0.000 0.801 128 E CB -0.316 29.322 29.700 -0.103 0.000 0.746 128 E HN 0.449 nan 8.360 nan 0.000 0.450 129 A N 0.516 123.250 122.820 -0.144 0.000 1.908 129 A HA -0.223 4.094 4.320 -0.006 0.000 0.218 129 A C 2.477 179.949 177.584 -0.187 0.000 1.181 129 A CA 1.582 53.550 52.037 -0.115 0.000 0.627 129 A CB -0.969 18.016 19.000 -0.026 0.000 0.818 129 A HN 0.557 nan 8.150 nan 0.000 0.445 130 C N -0.798 118.324 119.300 -0.297 0.000 2.440 130 C HA -0.071 4.385 4.460 -0.006 0.000 0.278 130 C C 2.909 177.431 174.990 -0.780 0.000 1.295 130 C CA 1.159 59.809 59.018 -0.613 0.000 1.738 130 C CB -0.983 26.147 27.740 -1.016 0.000 1.987 130 C HN 0.587 nan 8.230 nan 0.000 0.492 131 M N 0.688 119.967 119.600 -0.535 0.000 2.086 131 M HA -0.090 4.387 4.480 -0.006 0.000 0.261 131 M C 2.126 178.171 176.300 -0.425 0.000 1.067 131 M CA 1.706 56.728 55.300 -0.463 0.000 1.116 131 M CB -1.506 30.982 32.600 -0.187 0.000 1.348 131 M HN 0.362 nan 8.290 nan 0.000 0.407 132 L N -0.382 120.662 121.223 -0.298 0.000 2.012 132 L HA -0.145 4.192 4.340 -0.006 0.000 0.210 132 L C 2.737 179.706 176.870 0.165 0.000 1.073 132 L CA 1.524 56.246 54.840 -0.196 0.000 0.748 132 L CB -1.583 40.306 42.059 -0.283 0.000 0.891 132 L HN 0.398 nan 8.230 nan 0.000 0.431 133 G N -0.291 108.484 108.800 -0.041 0.000 2.422 133 G HA2 -0.183 3.774 3.960 -0.006 0.000 0.218 133 G HA3 -0.183 3.774 3.960 -0.006 0.000 0.218 133 G C 1.575 176.399 174.900 -0.127 0.000 1.146 133 G CA 0.761 45.816 45.100 -0.076 0.000 0.769 133 G HN 0.494 nan 8.290 nan 0.000 0.547 134 G N 0.493 109.040 108.800 -0.421 0.000 2.402 134 G HA2 -0.157 3.800 3.960 -0.006 0.000 0.216 134 G HA3 -0.157 3.800 3.960 -0.006 0.000 0.216 134 G C 1.873 176.732 174.900 -0.069 0.000 1.162 134 G CA 0.877 45.594 45.100 -0.638 0.000 0.777 134 G HN 0.395 nan 8.290 nan 0.000 0.539 135 M N 0.669 120.274 119.600 0.009 0.000 2.086 135 M HA -0.009 4.467 4.480 -0.006 0.000 0.261 135 M C 3.067 179.565 176.300 0.329 0.000 1.067 135 M CA 1.400 56.806 55.300 0.176 0.000 1.116 135 M CB -0.202 32.394 32.600 -0.006 0.000 1.348 135 M HN 0.331 nan 8.290 nan 0.000 0.407 136 A N 0.067 123.077 122.820 0.316 0.000 1.908 136 A HA -0.198 4.118 4.320 -0.006 0.000 0.218 136 A C 2.113 179.922 177.584 0.375 0.000 1.181 136 A CA 1.609 53.830 52.037 0.307 0.000 0.627 136 A CB -0.627 18.639 19.000 0.444 0.000 0.818 136 A HN 0.464 nan 8.150 nan 0.000 0.445 137 M N -0.980 118.826 119.600 0.343 0.000 2.086 137 M HA -0.179 4.297 4.480 -0.006 0.000 0.261 137 M C 2.347 178.877 176.300 0.384 0.000 1.067 137 M CA 2.139 57.624 55.300 0.310 0.000 1.116 137 M CB -0.326 32.391 32.600 0.195 0.000 1.348 137 M HN 0.528 nan 8.290 nan 0.000 0.407 138 K N -0.109 120.562 120.400 0.452 0.000 2.057 138 K HA -0.210 4.107 4.320 -0.006 0.000 0.207 138 K C 1.973 178.917 176.600 0.574 0.000 1.049 138 K CA 1.477 58.073 56.287 0.515 0.000 0.931 138 K CB -0.182 32.665 32.500 0.577 0.000 0.714 138 K HN 0.448 nan 8.250 nan 0.000 0.440 139 W N 1.260 122.720 121.300 0.266 0.000 2.358 139 W HA -0.138 4.518 4.660 -0.007 0.000 0.303 139 W C 2.173 178.793 176.519 0.168 0.000 1.208 139 W CA 0.948 58.408 57.345 0.193 0.000 1.274 139 W CB -0.079 29.444 29.460 0.104 0.000 1.138 139 W HN 0.201 nan 8.180 nan 0.000 0.515 140 R N -0.916 119.821 120.500 0.395 0.000 2.081 140 R HA -0.222 4.114 4.340 -0.006 0.000 0.235 140 R C 1.975 178.420 176.300 0.241 0.000 1.131 140 R CA 2.011 58.269 56.100 0.263 0.000 0.960 140 R CB -1.208 29.242 30.300 0.250 0.000 0.856 140 R HN 0.234 nan 8.270 nan 0.000 0.436 141 W N 1.909 123.280 121.300 0.119 0.000 2.358 141 W HA -0.172 4.488 4.660 -0.000 0.000 0.303 141 W C 2.279 178.819 176.519 0.035 0.000 1.208 141 W CA 1.300 58.693 57.345 0.080 0.000 1.274 141 W CB -0.175 29.342 29.460 0.095 0.000 1.138 141 W HN -0.114 nan 8.180 nan 0.000 0.515 142 R N 0.843 121.340 120.500 -0.005 0.000 2.073 142 R HA -0.194 4.142 4.340 -0.006 0.000 0.234 142 R C 2.426 178.524 176.300 -0.337 0.000 1.134 142 R CA 2.073 57.944 56.100 -0.381 0.000 0.952 142 R CB -0.558 29.624 30.300 -0.197 0.000 0.850 142 R HN 0.123 nan 8.270 nan 0.000 0.433 143 K N -0.091 120.213 120.400 -0.159 0.000 2.152 143 K HA -0.182 4.134 4.320 -0.006 0.000 0.206 143 K C 2.077 178.591 176.600 -0.143 0.000 1.048 143 K CA 1.484 57.703 56.287 -0.114 0.000 0.933 143 K CB 0.073 32.562 32.500 -0.019 0.000 0.721 143 K HN 0.159 nan 8.250 nan 0.000 0.447 144 R N -0.464 119.930 120.500 -0.177 0.000 2.055 144 R HA 0.012 4.348 4.340 -0.006 0.000 0.228 144 R C 2.394 178.544 176.300 -0.251 0.000 1.143 144 R CA 1.383 57.381 56.100 -0.170 0.000 0.945 144 R CB -0.151 30.075 30.300 -0.123 0.000 0.841 144 R HN 0.174 nan 8.270 nan 0.000 0.429 145 M N 0.618 119.945 119.600 -0.454 0.000 2.149 145 M HA -0.179 4.298 4.480 -0.006 0.000 0.261 145 M C 1.875 177.997 176.300 -0.297 0.000 1.064 145 M CA 1.638 56.671 55.300 -0.446 0.000 1.102 145 M CB -0.762 31.357 32.600 -0.801 0.000 1.369 145 M HN 0.188 nan 8.290 nan 0.000 0.408 146 E N 0.065 120.089 120.200 -0.292 0.000 2.153 146 E HA -0.111 4.236 4.350 -0.006 0.000 0.194 146 E C 2.000 178.521 176.600 -0.131 0.000 0.988 146 E CA 1.221 57.505 56.400 -0.192 0.000 0.811 146 E CB 0.001 29.593 29.700 -0.180 0.000 0.746 146 E HN 0.511 nan 8.360 nan 0.000 0.466 147 A N 0.548 123.293 122.820 -0.125 0.000 2.015 147 A HA 0.018 4.334 4.320 -0.006 0.000 0.219 147 A C 2.081 179.620 177.584 -0.075 0.000 1.163 147 A CA 1.343 53.329 52.037 -0.085 0.000 0.646 147 A CB -0.153 18.804 19.000 -0.073 0.000 0.806 147 A HN 0.264 nan 8.150 nan 0.000 0.448 148 A N -1.397 121.368 122.820 -0.090 0.000 2.337 148 A HA 0.447 4.764 4.320 -0.006 0.000 0.227 148 A C 1.583 179.128 177.584 -0.066 0.000 1.259 148 A CA 0.878 52.873 52.037 -0.070 0.000 0.870 148 A CB -1.068 17.890 19.000 -0.071 0.000 0.927 148 A HN 1.747 nan 8.150 nan 0.000 0.497 149 G N 0.158 108.913 108.800 -0.074 0.000 2.258 149 G HA2 -0.295 3.662 3.960 -0.006 0.000 0.274 149 G HA3 -0.295 3.662 3.960 -0.006 0.000 0.274 149 G C 0.169 175.034 174.900 -0.059 0.000 1.021 149 G CA 0.968 46.031 45.100 -0.061 0.000 0.798 149 G HN 0.621 nan 8.290 nan 0.000 0.507 150 K N 0.006 120.358 120.400 -0.081 0.000 2.095 150 K HA 0.487 4.803 4.320 -0.006 0.000 0.252 150 K C -2.321 174.239 176.600 -0.067 0.000 0.977 150 K CA -2.047 54.202 56.287 -0.063 0.000 0.900 150 K CB 0.994 33.455 32.500 -0.065 0.000 1.060 150 K HN -0.040 nan 8.250 nan 0.000 0.449 151 P HA -0.014 nan 4.420 nan 0.000 0.268 151 P C -0.176 177.141 177.300 0.028 0.000 1.205 151 P CA 0.102 63.209 63.100 0.013 0.000 0.771 151 P CB 0.476 32.206 31.700 0.049 0.000 0.858 152 T N -2.934 111.645 114.554 0.041 0.000 3.339 152 T HA 0.108 4.455 4.350 -0.006 0.000 0.292 152 T C 0.428 175.295 174.700 0.278 0.000 1.012 152 T CA -0.345 61.829 62.100 0.122 0.000 0.937 152 T CB -0.416 68.378 68.868 -0.123 0.000 1.164 152 T HN 0.366 nan 8.240 nan 0.000 0.509 153 D N 0.719 121.239 120.400 0.201 0.000 2.379 153 D HA 0.062 4.698 4.640 -0.006 0.000 0.208 153 D C 0.719 177.099 176.300 0.134 0.000 1.065 153 D CA -0.219 53.868 54.000 0.146 0.000 0.848 153 D CB 0.223 41.075 40.800 0.086 0.000 0.949 153 D HN 0.316 nan 8.370 nan 0.000 0.509 154 K N 1.754 122.255 120.400 0.169 0.000 3.205 154 K HA 0.247 4.563 4.320 -0.006 0.000 0.202 154 K C -2.552 174.065 176.600 0.027 0.000 1.160 154 K CA -1.325 55.018 56.287 0.093 0.000 0.995 154 K CB 1.767 34.320 32.500 0.087 0.000 1.041 154 K HN 0.204 nan 8.250 nan 0.000 0.507 155 P HA 0.024 nan 4.420 nan 0.000 0.274 155 P C -1.009 176.120 177.300 -0.284 0.000 1.231 155 P CA -0.173 62.623 63.100 -0.505 0.000 0.790 155 P CB 0.766 31.976 31.700 -0.817 0.000 0.951 156 N N 1.118 119.630 118.700 -0.313 0.000 2.455 156 N HA 0.557 5.294 4.740 -0.006 0.000 0.278 156 N C -1.542 173.873 175.510 -0.158 0.000 1.291 156 N CA -0.976 51.979 53.050 -0.159 0.000 0.780 156 N CB 1.211 39.639 38.487 -0.097 0.000 1.520 156 N HN 0.242 nan 8.380 nan 0.000 0.486 157 L N 1.424 122.600 121.223 -0.080 0.000 2.409 157 L HA 0.613 4.949 4.340 -0.006 0.000 0.272 157 L C -1.508 175.301 176.870 -0.103 0.000 0.980 157 L CA -0.820 53.973 54.840 -0.078 0.000 0.826 157 L CB 1.697 43.768 42.059 0.020 0.000 1.268 157 L HN 0.578 nan 8.230 nan 0.000 0.407 158 V N 4.828 124.662 119.914 -0.133 0.000 2.439 158 V HA 0.634 4.750 4.120 -0.006 0.000 0.282 158 V C 0.397 176.392 176.094 -0.165 0.000 1.039 158 V CA -0.272 61.950 62.300 -0.130 0.000 0.913 158 V CB 1.240 32.984 31.823 -0.131 0.000 0.983 158 V HN 1.009 nan 8.190 nan 0.000 0.460 159 C N 2.461 121.677 119.300 -0.140 0.000 3.284 159 C HA 0.966 5.423 4.460 -0.006 0.000 0.348 159 C C 0.490 175.438 174.990 -0.070 0.000 1.448 159 C CA -0.043 58.880 59.018 -0.158 0.000 1.223 159 C CB 1.167 28.749 27.740 -0.263 0.000 1.588 159 C HN 0.985 nan 8.230 nan 0.000 0.451 160 G N -0.556 108.222 108.800 -0.036 0.000 2.940 160 G HA2 0.714 4.671 3.960 -0.006 0.000 0.164 160 G HA3 0.714 4.671 3.960 -0.006 0.000 0.164 160 G C -2.765 172.202 174.900 0.111 0.000 1.326 160 G CA -0.968 44.165 45.100 0.055 0.000 1.020 160 G HN 0.646 nan 8.290 nan 0.000 0.586 161 P HA 0.239 nan 4.420 nan 0.000 0.238 161 P C 0.058 177.548 177.300 0.317 0.000 1.729 161 P CA -0.235 63.056 63.100 0.318 0.000 1.055 161 P CB 0.194 32.137 31.700 0.405 0.000 1.980 162 V N 1.383 121.452 119.914 0.259 0.000 3.096 162 V HA -0.004 4.113 4.120 -0.006 0.000 0.306 162 V C 0.954 177.250 176.094 0.337 0.000 1.088 162 V CA -0.045 62.397 62.300 0.237 0.000 1.129 162 V CB 0.993 32.910 31.823 0.155 0.000 1.014 162 V HN 0.326 nan 8.190 nan 0.000 0.486 163 Q N 2.060 122.029 119.800 0.283 0.000 2.382 163 Q HA 0.158 4.495 4.340 -0.006 0.000 0.229 163 Q C 1.160 177.350 176.000 0.316 0.000 1.006 163 Q CA -0.093 55.819 55.803 0.182 0.000 0.916 163 Q CB 1.045 29.810 28.738 0.044 0.000 1.235 163 Q HN 0.798 nan 8.270 nan 0.000 0.512 164 I N 1.832 122.519 120.570 0.196 0.000 2.399 164 I HA -0.352 3.815 4.170 -0.006 0.000 0.254 164 I C 2.228 178.417 176.117 0.119 0.000 1.146 164 I CA 1.475 62.842 61.300 0.112 0.000 1.412 164 I CB -0.006 37.892 38.000 -0.169 0.000 1.076 164 I HN 0.846 nan 8.210 nan 0.000 0.432 165 C N -0.999 118.315 119.300 0.023 0.000 2.419 165 C HA -0.153 4.304 4.460 -0.006 0.000 0.281 165 C C 2.273 177.180 174.990 -0.139 0.000 1.336 165 C CA -0.054 58.898 59.018 -0.111 0.000 1.770 165 C CB -2.076 25.511 27.740 -0.255 0.000 1.929 165 C HN 0.699 nan 8.230 nan 0.000 0.509 166 W N 0.164 121.538 121.300 0.123 0.000 2.518 166 W HA 0.116 4.772 4.660 -0.007 0.000 0.273 166 W C 2.683 179.261 176.519 0.099 0.000 1.247 166 W CA 1.119 58.527 57.345 0.106 0.000 1.288 166 W CB -0.492 28.980 29.460 0.021 0.000 1.107 166 W HN 0.412 nan 8.180 nan 0.000 0.586 167 H N -0.068 119.138 119.070 0.227 0.000 2.389 167 H HA -0.063 4.490 4.556 -0.005 0.000 0.299 167 H C 1.946 177.259 175.328 -0.026 0.000 1.081 167 H CA 1.608 57.723 56.048 0.112 0.000 1.345 167 H CB -0.120 29.679 29.762 0.062 0.000 1.393 167 H HN 0.024 nan 8.280 nan 0.000 0.520 168 K N -0.239 120.162 120.400 0.001 0.000 2.057 168 K HA -0.133 4.184 4.320 -0.006 0.000 0.206 168 K C 1.917 178.323 176.600 -0.324 0.000 1.050 168 K CA 1.255 57.291 56.287 -0.418 0.000 0.935 168 K CB -0.244 32.052 32.500 -0.340 0.000 0.715 168 K HN 0.183 nan 8.250 nan 0.000 0.439 169 F N 2.014 121.938 119.950 -0.043 0.000 2.069 169 F HA -0.246 4.277 4.527 -0.007 0.000 0.298 169 F C 2.207 178.187 175.800 0.302 0.000 1.113 169 F CA 1.558 59.697 58.000 0.231 0.000 1.214 169 F CB -0.582 38.455 39.000 0.061 0.000 0.978 169 F HN -0.015 nan 8.300 nan 0.000 0.474 170 A N 0.490 123.373 122.820 0.104 0.000 1.892 170 A HA -0.274 4.043 4.320 -0.006 0.000 0.218 170 A C 2.282 179.824 177.584 -0.070 0.000 1.188 170 A CA 2.219 54.241 52.037 -0.026 0.000 0.631 170 A CB -0.969 18.080 19.000 0.081 0.000 0.822 170 A HN 0.489 nan 8.150 nan 0.000 0.447 171 R N -1.562 118.896 120.500 -0.070 0.000 2.070 171 R HA -0.139 4.197 4.340 -0.006 0.000 0.233 171 R C 1.938 178.262 176.300 0.041 0.000 1.137 171 R CA 1.940 58.011 56.100 -0.048 0.000 0.945 171 R CB -0.640 29.594 30.300 -0.111 0.000 0.845 171 R HN 0.561 nan 8.270 nan 0.000 0.430 172 Y N -1.559 118.711 120.300 -0.049 0.000 2.352 172 Y HA -0.120 4.426 4.550 -0.006 0.000 0.292 172 Y C 1.288 176.949 175.900 -0.397 0.000 1.136 172 Y CA 0.109 58.057 58.100 -0.254 0.000 1.227 172 Y CB -0.293 37.925 38.460 -0.403 0.000 0.991 172 Y HN 0.225 nan 8.280 nan 0.000 0.545 173 W N 0.791 122.027 121.300 -0.106 0.000 2.966 173 W HA 0.172 4.828 4.660 -0.007 0.000 0.406 173 W C -0.406 176.026 176.519 -0.145 0.000 1.027 173 W CA -0.191 57.060 57.345 -0.156 0.000 1.930 173 W CB 0.063 29.293 29.460 -0.384 0.000 1.144 173 W HN 0.085 nan 8.180 nan 0.000 0.626 174 D N 1.091 121.509 120.400 0.030 0.000 2.735 174 D HA -0.153 4.484 4.640 -0.006 0.000 0.235 174 D C -0.404 175.898 176.300 0.004 0.000 1.175 174 D CA 0.797 54.809 54.000 0.021 0.000 0.683 174 D CB -1.504 39.320 40.800 0.040 0.000 1.008 174 D HN -0.123 nan 8.370 nan 0.000 0.416 175 V N 0.627 120.517 119.914 -0.041 0.000 2.540 175 V HA 0.181 4.297 4.120 -0.006 0.000 0.302 175 V C 0.669 176.754 176.094 -0.016 0.000 1.035 175 V CA -0.845 61.432 62.300 -0.039 0.000 0.873 175 V CB 2.302 34.107 31.823 -0.031 0.000 0.992 175 V HN 0.122 nan 8.190 nan 0.000 0.428 176 E N 4.129 124.315 120.200 -0.024 0.000 2.366 176 E HA 0.105 4.452 4.350 -0.006 0.000 0.266 176 E C -0.958 175.635 176.600 -0.011 0.000 1.015 176 E CA -0.364 56.028 56.400 -0.013 0.000 0.906 176 E CB 0.839 30.528 29.700 -0.018 0.000 0.979 176 E HN 0.473 nan 8.360 nan 0.000 0.443 177 L N 6.585 127.805 121.223 -0.005 0.000 2.268 177 L HA 0.251 4.587 4.340 -0.006 0.000 0.289 177 L C -0.395 176.454 176.870 -0.034 0.000 1.064 177 L CA -0.133 54.694 54.840 -0.023 0.000 0.824 177 L CB 0.383 42.408 42.059 -0.057 0.000 1.202 177 L HN 0.596 nan 8.230 nan 0.000 0.433 178 R N 4.269 124.743 120.500 -0.044 0.000 2.755 178 R HA 0.195 4.531 4.340 -0.006 0.000 0.268 178 R C -0.283 175.990 176.300 -0.044 0.000 1.295 178 R CA -0.217 55.861 56.100 -0.038 0.000 1.379 178 R CB 0.589 30.863 30.300 -0.043 0.000 1.170 178 R HN 0.553 nan 8.270 nan 0.000 0.584 179 E N 3.155 123.338 120.200 -0.028 0.000 2.152 179 E HA 0.089 4.436 4.350 -0.006 0.000 0.285 179 E C -0.473 176.133 176.600 0.010 0.000 1.043 179 E CA -0.780 55.613 56.400 -0.011 0.000 0.839 179 E CB 0.611 30.322 29.700 0.018 0.000 1.069 179 E HN 0.284 nan 8.360 nan 0.000 0.399 180 I N 7.800 128.374 120.570 0.006 0.000 2.587 180 I HA 0.035 4.201 4.170 -0.006 0.000 0.284 180 I C -2.029 174.105 176.117 0.028 0.000 1.134 180 I CA -1.521 59.788 61.300 0.014 0.000 1.410 180 I CB 0.289 38.298 38.000 0.015 0.000 1.392 180 I HN 0.468 nan 8.210 nan 0.000 0.545 181 P HA 0.066 nan 4.420 nan 0.000 0.266 181 P C -0.346 176.953 177.300 -0.002 0.000 1.195 181 P CA -0.300 62.810 63.100 0.015 0.000 0.768 181 P CB 0.451 32.156 31.700 0.008 0.000 0.838 182 M N 3.931 123.523 119.600 -0.013 0.000 2.200 182 M HA 0.226 4.702 4.480 -0.006 0.000 0.355 182 M C 0.023 176.284 176.300 -0.064 0.000 1.283 182 M CA 0.584 55.849 55.300 -0.059 0.000 1.124 182 M CB 0.248 32.813 32.600 -0.058 0.000 1.625 182 M HN 0.286 nan 8.290 nan 0.000 0.463 183 R N 3.884 124.331 120.500 -0.088 0.000 2.707 183 R HA 0.462 4.798 4.340 -0.006 0.000 0.272 183 R C -2.785 173.468 176.300 -0.078 0.000 1.011 183 R CA -1.934 54.127 56.100 -0.065 0.000 0.893 183 R CB 1.658 31.935 30.300 -0.039 0.000 1.233 183 R HN 0.383 nan 8.270 nan 0.000 0.464 184 P HA -0.060 nan 4.420 nan 0.000 0.258 184 P C 0.585 177.860 177.300 -0.041 0.000 1.187 184 P CA 1.525 64.596 63.100 -0.049 0.000 0.767 184 P CB 0.374 32.055 31.700 -0.032 0.000 0.770 185 G N 3.074 111.847 108.800 -0.044 0.000 2.268 185 G HA2 -0.243 3.713 3.960 -0.006 0.000 0.240 185 G HA3 -0.243 3.713 3.960 -0.006 0.000 0.240 185 G C 0.012 174.896 174.900 -0.027 0.000 1.010 185 G CA 0.282 45.370 45.100 -0.020 0.000 0.618 185 G HN 0.668 nan 8.290 nan 0.000 0.516 186 Q N 0.037 119.798 119.800 -0.065 0.000 3.429 186 Q HA 0.681 5.018 4.340 -0.006 0.000 0.237 186 Q C 0.718 176.613 176.000 -0.174 0.000 0.932 186 Q CA -0.713 55.048 55.803 -0.069 0.000 0.731 186 Q CB 0.327 29.055 28.738 -0.016 0.000 1.383 186 Q HN 0.327 nan 8.270 nan 0.000 0.446 187 L N 0.462 121.438 121.223 -0.411 0.000 2.492 187 L HA 0.247 4.584 4.340 -0.006 0.000 0.223 187 L C -0.242 176.189 176.870 -0.732 0.000 1.132 187 L CA 0.585 55.030 54.840 -0.657 0.000 0.850 187 L CB -0.000 41.473 42.059 -0.976 0.000 0.966 187 L HN 0.372 nan 8.230 nan 0.000 0.454 188 F N -1.428 118.554 119.950 0.054 0.000 2.639 188 F HA 0.395 4.918 4.527 -0.006 0.000 0.339 188 F C 0.349 176.172 175.800 0.038 0.000 1.071 188 F CA -1.522 56.507 58.000 0.048 0.000 0.994 188 F CB 0.974 40.002 39.000 0.046 0.000 1.341 188 F HN -0.310 nan 8.300 nan 0.000 0.498 189 M N 3.513 123.260 119.600 0.244 0.000 2.220 189 M HA 0.184 4.661 4.480 -0.006 0.000 0.343 189 M C -0.865 175.506 176.300 0.119 0.000 1.470 189 M CA -0.217 55.156 55.300 0.122 0.000 1.161 189 M CB -0.283 32.355 32.600 0.065 0.000 1.737 189 M HN 0.638 nan 8.290 nan 0.000 0.464 190 D N 5.387 125.844 120.400 0.095 0.000 2.332 190 D HA 0.368 5.004 4.640 -0.006 0.000 0.252 190 D C -2.519 173.812 176.300 0.051 0.000 1.050 190 D CA -1.801 52.253 54.000 0.090 0.000 0.970 190 D CB 0.401 41.254 40.800 0.088 0.000 1.141 190 D HN 0.273 nan 8.370 nan 0.000 0.485 191 P HA -0.195 nan 4.420 nan 0.000 0.215 191 P C 1.502 178.808 177.300 0.010 0.000 1.157 191 P CA 1.903 65.019 63.100 0.025 0.000 0.874 191 P CB 0.179 31.902 31.700 0.039 0.000 0.790 192 K N 0.114 120.529 120.400 0.024 0.000 1.991 192 K HA -0.171 4.145 4.320 -0.006 0.000 0.212 192 K C 2.136 178.740 176.600 0.007 0.000 1.049 192 K CA 1.680 57.980 56.287 0.021 0.000 0.932 192 K CB -0.266 32.252 32.500 0.029 0.000 0.717 192 K HN -0.110 nan 8.250 nan 0.000 0.441 193 R N 0.226 120.731 120.500 0.009 0.000 2.152 193 R HA -0.079 4.258 4.340 -0.006 0.000 0.232 193 R C 2.433 178.718 176.300 -0.024 0.000 1.117 193 R CA 1.623 57.723 56.100 -0.000 0.000 0.981 193 R CB -0.324 29.982 30.300 0.009 0.000 0.870 193 R HN 0.426 nan 8.270 nan 0.000 0.451 194 M N 0.466 120.045 119.600 -0.035 0.000 2.067 194 M HA -0.176 4.301 4.480 -0.006 0.000 0.260 194 M C 1.656 177.872 176.300 -0.139 0.000 1.069 194 M CA 1.792 57.045 55.300 -0.078 0.000 1.117 194 M CB -0.001 32.553 32.600 -0.077 0.000 1.334 194 M HN 0.057 nan 8.290 nan 0.000 0.407 195 I N 1.334 121.818 120.570 -0.143 0.000 2.286 195 I HA -0.260 3.907 4.170 -0.006 0.000 0.248 195 I C 2.171 178.212 176.117 -0.127 0.000 1.115 195 I CA 1.608 62.771 61.300 -0.228 0.000 1.392 195 I CB -0.688 37.255 38.000 -0.095 0.000 1.065 195 I HN 0.401 nan 8.210 nan 0.000 0.418 196 E N -0.019 120.156 120.200 -0.042 0.000 2.209 196 E HA -0.181 4.166 4.350 -0.006 0.000 0.196 196 E C 2.046 178.638 176.600 -0.013 0.000 0.993 196 E CA 1.143 57.544 56.400 0.001 0.000 0.819 196 E CB -0.173 29.533 29.700 0.009 0.000 0.745 196 E HN 0.538 nan 8.360 nan 0.000 0.477 197 A N 0.172 122.959 122.820 -0.055 0.000 2.195 197 A HA 0.060 4.376 4.320 -0.006 0.000 0.210 197 A C 0.983 178.521 177.584 -0.075 0.000 1.165 197 A CA -0.167 51.839 52.037 -0.052 0.000 0.806 197 A CB 0.202 19.167 19.000 -0.057 0.000 0.847 197 A HN 0.169 nan 8.150 nan 0.000 0.482 198 C N 1.485 120.694 119.300 -0.152 0.000 2.539 198 C HA 0.605 5.062 4.460 -0.006 0.000 0.392 198 C C 0.154 175.158 174.990 0.024 0.000 1.269 198 C CA -0.116 58.788 59.018 -0.191 0.000 2.250 198 C CB 0.341 27.730 27.740 -0.584 0.000 2.584 198 C HN 0.785 nan 8.230 nan 0.000 0.589 199 D N -0.492 119.975 120.400 0.112 0.000 2.838 199 D HA 0.156 4.793 4.640 -0.006 0.000 0.334 199 D C 0.335 176.776 176.300 0.236 0.000 1.315 199 D CA -0.626 53.509 54.000 0.226 0.000 0.917 199 D CB 0.078 40.967 40.800 0.148 0.000 1.435 199 D HN 0.579 nan 8.370 nan 0.000 0.517 200 E N -0.698 119.635 120.200 0.222 0.000 2.338 200 E HA -0.115 4.232 4.350 -0.006 0.000 0.197 200 E C 0.503 177.335 176.600 0.387 0.000 1.007 200 E CA 0.750 57.302 56.400 0.254 0.000 0.849 200 E CB -0.385 29.423 29.700 0.180 0.000 0.774 200 E HN 0.258 nan 8.360 nan 0.000 0.506 201 N N 0.606 119.483 118.700 0.295 0.000 2.336 201 N HA 0.007 4.744 4.740 -0.006 0.000 0.189 201 N C -0.344 175.098 175.510 -0.113 0.000 1.113 201 N CA 0.384 53.608 53.050 0.290 0.000 0.858 201 N CB 0.579 39.162 38.487 0.160 0.000 0.970 201 N HN 0.060 nan 8.380 nan 0.000 0.471 202 T N 2.293 116.827 114.554 -0.033 0.000 2.751 202 T HA 0.109 4.456 4.350 -0.006 0.000 0.290 202 T C 1.921 176.466 174.700 -0.258 0.000 0.919 202 T CA -0.213 61.793 62.100 -0.157 0.000 1.136 202 T CB 0.361 69.191 68.868 -0.062 0.000 0.875 202 T HN 0.235 nan 8.240 nan 0.000 0.532 203 I N 0.969 121.256 120.570 -0.472 0.000 2.830 203 I HA 0.375 4.541 4.170 -0.006 0.000 0.263 203 I C 0.965 177.061 176.117 -0.035 0.000 1.230 203 I CA 0.122 61.212 61.300 -0.350 0.000 1.480 203 I CB -0.124 37.688 38.000 -0.314 0.000 1.095 203 I HN 0.659 nan 8.210 nan 0.000 0.455 204 G N 0.091 108.851 108.800 -0.068 0.000 2.321 204 G HA2 0.391 4.348 3.960 -0.006 0.000 0.298 204 G HA3 0.391 4.348 3.960 -0.006 0.000 0.298 204 G C -1.700 173.140 174.900 -0.102 0.000 1.385 204 G CA -0.469 44.608 45.100 -0.038 0.000 0.856 204 G HN -0.062 nan 8.290 nan 0.000 0.584 205 V N -0.248 119.601 119.914 -0.108 0.000 2.513 205 V HA 0.669 4.785 4.120 -0.006 0.000 0.299 205 V C -0.152 175.827 176.094 -0.192 0.000 1.035 205 V CA -0.699 61.508 62.300 -0.154 0.000 0.889 205 V CB 1.797 33.540 31.823 -0.134 0.000 0.988 205 V HN 0.757 nan 8.190 nan 0.000 0.440 206 V N 6.744 126.487 119.914 -0.285 0.000 2.305 206 V HA 0.348 4.465 4.120 -0.006 0.000 0.275 206 V C -2.497 173.422 176.094 -0.291 0.000 1.020 206 V CA -1.656 60.417 62.300 -0.379 0.000 0.811 206 V CB 1.440 32.764 31.823 -0.833 0.000 1.031 206 V HN 0.743 nan 8.190 nan 0.000 0.439 207 P HA 0.312 nan 4.420 nan 0.000 0.279 207 P C -0.209 177.024 177.300 -0.113 0.000 1.239 207 P CA -0.095 62.930 63.100 -0.125 0.000 0.789 207 P CB 0.697 32.341 31.700 -0.093 0.000 0.933 208 T N 3.498 118.007 114.554 -0.075 0.000 2.832 208 T HA 0.244 4.590 4.350 -0.006 0.000 0.313 208 T C -0.268 174.415 174.700 -0.029 0.000 1.035 208 T CA -0.032 62.042 62.100 -0.044 0.000 0.950 208 T CB -0.625 68.224 68.868 -0.032 0.000 0.984 208 T HN 0.160 nan 8.240 nan 0.000 0.486 209 F N 3.740 123.552 119.950 -0.231 0.000 2.659 209 F HA 0.483 5.007 4.527 -0.005 0.000 0.360 209 F C 1.071 176.818 175.800 -0.088 0.000 1.218 209 F CA -0.724 57.084 58.000 -0.319 0.000 1.317 209 F CB -0.611 38.018 39.000 -0.619 0.000 1.697 209 F HN 0.772 nan 8.300 nan 0.000 0.637 210 G N 2.677 111.385 108.800 -0.153 0.000 2.314 210 G HA2 0.001 3.958 3.960 -0.006 0.000 0.286 210 G HA3 0.001 3.958 3.960 -0.006 0.000 0.286 210 G C -1.117 173.714 174.900 -0.114 0.000 1.270 210 G CA -0.817 44.176 45.100 -0.177 0.000 1.277 210 G HN 0.300 nan 8.290 nan 0.000 0.635 211 V N 2.082 121.910 119.914 -0.143 0.000 2.540 211 V HA 0.141 4.258 4.120 -0.006 0.000 0.297 211 V C 2.132 178.201 176.094 -0.042 0.000 1.024 211 V CA 1.155 63.414 62.300 -0.068 0.000 1.105 211 V CB 0.757 32.609 31.823 0.048 0.000 0.938 211 V HN 0.778 nan 8.190 nan 0.000 0.482 212 T N 4.163 118.585 114.554 -0.220 0.000 2.665 212 T HA -0.218 4.128 4.350 -0.006 0.000 0.268 212 T C 1.419 176.075 174.700 -0.074 0.000 1.035 212 T CA 2.183 64.125 62.100 -0.263 0.000 1.151 212 T CB -0.369 68.100 68.868 -0.665 0.000 0.862 212 T HN 0.727 nan 8.240 nan 0.000 0.438 213 Y N 1.726 122.126 120.300 0.167 0.000 2.373 213 Y HA 0.041 4.587 4.550 -0.006 0.000 0.293 213 Y C 2.821 178.916 175.900 0.325 0.000 1.129 213 Y CA 0.866 59.095 58.100 0.216 0.000 1.226 213 Y CB -0.894 37.672 38.460 0.176 0.000 1.000 213 Y HN 0.448 nan 8.280 nan 0.000 0.549 214 T N -6.668 108.099 114.554 0.355 0.000 3.010 214 T HA 0.489 4.835 4.350 -0.006 0.000 0.252 214 T C 1.763 176.553 174.700 0.151 0.000 0.963 214 T CA 0.522 62.788 62.100 0.277 0.000 0.952 214 T CB 0.342 69.430 68.868 0.367 0.000 1.182 214 T HN 0.305 nan 8.240 nan 0.000 0.495 215 G N 1.687 110.539 108.800 0.086 0.000 2.195 215 G HA2 -0.202 3.754 3.960 -0.006 0.000 0.224 215 G HA3 -0.202 3.754 3.960 -0.006 0.000 0.224 215 G C -0.164 174.584 174.900 -0.252 0.000 0.990 215 G CA -0.174 44.901 45.100 -0.042 0.000 0.639 215 G HN 0.694 nan 8.290 nan 0.000 0.514 216 N N 0.097 118.642 118.700 -0.258 0.000 2.503 216 N HA 0.540 5.276 4.740 -0.006 0.000 0.267 216 N C -0.323 174.786 175.510 -0.669 0.000 1.214 216 N CA 0.010 52.758 53.050 -0.502 0.000 0.959 216 N CB 0.360 38.503 38.487 -0.575 0.000 1.142 216 N HN 0.191 nan 8.380 nan 0.000 0.455 217 Y N 0.354 120.201 120.300 -0.756 0.000 2.320 217 Y HA 0.236 4.783 4.550 -0.005 0.000 0.324 217 Y C 0.493 175.805 175.900 -0.981 0.000 1.190 217 Y CA -0.523 57.009 58.100 -0.947 0.000 1.215 217 Y CB 0.737 38.455 38.460 -1.236 0.000 1.221 217 Y HN 0.381 nan 8.280 nan 0.000 0.486 218 E N 2.985 122.917 120.200 -0.447 0.000 2.109 218 E HA 0.255 4.602 4.350 -0.006 0.000 0.278 218 E C -1.411 175.069 176.600 -0.199 0.000 0.954 218 E CA -0.565 55.654 56.400 -0.300 0.000 0.779 218 E CB 0.695 30.320 29.700 -0.125 0.000 1.093 218 E HN 0.336 nan 8.360 nan 0.000 0.401 219 F N 4.275 124.271 119.950 0.076 0.000 2.471 219 F HA 0.172 4.696 4.527 -0.006 0.000 0.365 219 F C -1.421 174.391 175.800 0.021 0.000 1.095 219 F CA -2.112 55.933 58.000 0.075 0.000 1.174 219 F CB 0.583 39.624 39.000 0.067 0.000 1.105 219 F HN 0.421 nan 8.300 nan 0.000 0.535 220 P HA -0.211 nan 4.420 nan 0.000 0.218 220 P C 1.648 178.996 177.300 0.079 0.000 1.149 220 P CA 0.989 64.115 63.100 0.044 0.000 0.817 220 P CB 0.192 31.857 31.700 -0.057 0.000 0.785 221 Q N 0.305 120.148 119.800 0.071 0.000 2.014 221 Q HA -0.167 4.170 4.340 -0.006 0.000 0.207 221 Q C -0.671 175.373 176.000 0.073 0.000 0.993 221 Q CA 3.047 58.867 55.803 0.029 0.000 0.850 221 Q CB -1.893 26.837 28.738 -0.014 0.000 0.916 221 Q HN 0.182 nan 8.270 nan 0.000 0.417 222 P HA -0.145 nan 4.420 nan 0.000 0.216 222 P C 0.890 178.238 177.300 0.080 0.000 1.150 222 P CA 1.258 64.400 63.100 0.070 0.000 0.837 222 P CB -0.080 31.665 31.700 0.075 0.000 0.786 223 L N -1.772 119.503 121.223 0.085 0.000 2.093 223 L HA -0.196 4.140 4.340 -0.006 0.000 0.208 223 L C 2.734 179.635 176.870 0.052 0.000 1.085 223 L CA 1.361 56.231 54.840 0.050 0.000 0.755 223 L CB -1.214 40.864 42.059 0.030 0.000 0.904 223 L HN 0.157 nan 8.230 nan 0.000 0.435 224 H N 0.748 119.811 119.070 -0.012 0.000 2.353 224 H HA -0.175 4.378 4.556 -0.006 0.000 0.300 224 H C 1.640 176.970 175.328 0.003 0.000 1.090 224 H CA 1.851 57.890 56.048 -0.015 0.000 1.327 224 H CB 0.140 29.883 29.762 -0.031 0.000 1.383 224 H HN 0.344 nan 8.280 nan 0.000 0.508 225 D N 0.491 121.012 120.400 0.201 0.000 2.117 225 D HA -0.095 4.542 4.640 -0.006 0.000 0.197 225 D C 2.246 178.596 176.300 0.082 0.000 0.987 225 D CA 1.202 55.287 54.000 0.141 0.000 0.829 225 D CB -0.446 40.408 40.800 0.090 0.000 0.961 225 D HN 0.451 nan 8.370 nan 0.000 0.460 226 A N 0.878 123.734 122.820 0.060 0.000 1.933 226 A HA -0.121 4.196 4.320 -0.006 0.000 0.218 226 A C 2.387 180.007 177.584 0.060 0.000 1.175 226 A CA 0.874 52.942 52.037 0.052 0.000 0.628 226 A CB -0.702 18.312 19.000 0.024 0.000 0.814 226 A HN 0.204 nan 8.150 nan 0.000 0.444 227 L N -0.807 120.417 121.223 0.001 0.000 2.156 227 L HA -0.124 4.212 4.340 -0.006 0.000 0.208 227 L C 1.873 178.775 176.870 0.053 0.000 1.095 227 L CA 1.020 55.858 54.840 -0.003 0.000 0.770 227 L CB -0.551 41.431 42.059 -0.129 0.000 0.914 227 L HN 0.291 nan 8.230 nan 0.000 0.439 228 D N 0.520 120.928 120.400 0.014 0.000 2.117 228 D HA -0.138 4.498 4.640 -0.006 0.000 0.198 228 D C 2.156 178.500 176.300 0.074 0.000 0.982 228 D CA 1.117 55.140 54.000 0.039 0.000 0.828 228 D CB 0.054 40.894 40.800 0.067 0.000 0.967 228 D HN 0.274 nan 8.370 nan 0.000 0.464 229 K N -0.159 120.295 120.400 0.091 0.000 2.097 229 K HA -0.115 4.202 4.320 -0.006 0.000 0.205 229 K C 2.086 178.755 176.600 0.114 0.000 1.050 229 K CA 0.455 56.794 56.287 0.088 0.000 0.938 229 K CB -0.217 32.336 32.500 0.090 0.000 0.718 229 K HN 0.075 nan 8.250 nan 0.000 0.442 230 F N 2.659 122.607 119.950 -0.003 0.000 2.102 230 F HA -0.244 4.279 4.527 -0.006 0.000 0.298 230 F C 2.707 178.508 175.800 0.002 0.000 1.105 230 F CA 1.759 59.759 58.000 -0.000 0.000 1.239 230 F CB -0.284 38.713 39.000 -0.005 0.000 0.991 230 F HN 0.041 nan 8.300 nan 0.000 0.474 231 Q N -0.062 119.799 119.800 0.102 0.000 2.170 231 Q HA -0.157 4.180 4.340 -0.006 0.000 0.203 231 Q C 2.173 178.144 176.000 -0.048 0.000 0.976 231 Q CA 1.422 57.229 55.803 0.007 0.000 0.858 231 Q CB -0.306 28.465 28.738 0.056 0.000 0.907 231 Q HN 0.460 nan 8.270 nan 0.000 0.433 232 A N 0.934 123.740 122.820 -0.023 0.000 1.898 232 A HA -0.181 4.135 4.320 -0.006 0.000 0.216 232 A C 1.517 179.063 177.584 -0.063 0.000 1.181 232 A CA 1.724 53.745 52.037 -0.028 0.000 0.620 232 A CB -0.375 18.624 19.000 -0.002 0.000 0.819 232 A HN 0.487 nan 8.150 nan 0.000 0.442 233 D N -1.261 119.078 120.400 -0.103 0.000 2.289 233 D HA -0.027 4.610 4.640 -0.006 0.000 0.207 233 D C 1.811 177.993 176.300 -0.197 0.000 0.966 233 D CA 1.808 55.730 54.000 -0.130 0.000 0.868 233 D CB -0.068 40.661 40.800 -0.120 0.000 0.943 233 D HN 0.637 nan 8.370 nan 0.000 0.514 234 T N -4.875 109.499 114.554 -0.299 0.000 2.969 234 T HA 0.388 4.734 4.350 -0.006 0.000 0.258 234 T C 1.688 176.272 174.700 -0.192 0.000 0.962 234 T CA 0.702 62.618 62.100 -0.307 0.000 0.903 234 T CB 1.035 69.557 68.868 -0.577 0.000 1.177 234 T HN 0.136 nan 8.240 nan 0.000 0.511 235 G N 1.959 110.669 108.800 -0.150 0.000 2.225 235 G HA2 -0.207 3.749 3.960 -0.006 0.000 0.254 235 G HA3 -0.207 3.749 3.960 -0.006 0.000 0.254 235 G C 0.072 174.953 174.900 -0.033 0.000 0.988 235 G CA 0.062 45.121 45.100 -0.069 0.000 0.625 235 G HN 0.683 nan 8.290 nan 0.000 0.527 236 I N 1.965 122.503 120.570 -0.055 0.000 2.505 236 I HA 0.210 4.376 4.170 -0.006 0.000 0.287 236 I C -0.111 176.101 176.117 0.157 0.000 1.104 236 I CA -0.179 61.168 61.300 0.079 0.000 1.387 236 I CB 0.769 38.874 38.000 0.175 0.000 1.404 236 I HN 0.013 nan 8.210 nan 0.000 0.528 237 D N 8.669 129.150 120.400 0.135 0.000 2.428 237 D HA 0.397 5.034 4.640 -0.006 0.000 0.221 237 D C -0.435 175.949 176.300 0.140 0.000 1.123 237 D CA -0.224 53.849 54.000 0.122 0.000 0.869 237 D CB 0.579 41.428 40.800 0.083 0.000 1.032 237 D HN 0.284 nan 8.370 nan 0.000 0.506 238 I N 3.099 123.745 120.570 0.126 0.000 2.377 238 I HA 0.260 4.427 4.170 -0.006 0.000 0.293 238 I C 0.465 176.599 176.117 0.029 0.000 0.987 238 I CA -0.852 60.499 61.300 0.085 0.000 1.185 238 I CB 1.605 39.628 38.000 0.038 0.000 1.341 238 I HN 0.162 nan 8.210 nan 0.000 0.455 239 D N 5.976 126.407 120.400 0.051 0.000 2.487 239 D HA 0.637 5.273 4.640 -0.006 0.000 0.262 239 D C -0.387 175.920 176.300 0.012 0.000 1.130 239 D CA -0.318 53.706 54.000 0.039 0.000 1.038 239 D CB 1.680 42.540 40.800 0.100 0.000 1.142 239 D HN 0.301 nan 8.370 nan 0.000 0.575 240 M N -0.165 119.443 119.600 0.014 0.000 2.591 240 M HA 0.305 4.782 4.480 -0.006 0.000 0.306 240 M C -1.009 175.295 176.300 0.007 0.000 1.190 240 M CA -0.762 54.525 55.300 -0.021 0.000 0.889 240 M CB 2.687 35.249 32.600 -0.063 0.000 1.728 240 M HN 0.308 nan 8.290 nan 0.000 0.458 241 H N 1.123 120.126 119.070 -0.111 0.000 2.658 241 H HA 0.598 5.151 4.556 -0.006 0.000 0.337 241 H C -1.851 173.382 175.328 -0.159 0.000 1.009 241 H CA -0.533 55.451 56.048 -0.106 0.000 1.231 241 H CB 0.987 30.712 29.762 -0.062 0.000 1.508 241 H HN 0.544 nan 8.280 nan 0.000 0.517 242 I N 4.481 124.612 120.570 -0.731 0.000 2.325 242 I HA 0.088 4.255 4.170 -0.006 0.000 0.291 242 I C 0.029 175.880 176.117 -0.444 0.000 1.019 242 I CA -0.275 60.733 61.300 -0.487 0.000 1.302 242 I CB 0.950 38.700 38.000 -0.416 0.000 1.401 242 I HN 0.632 nan 8.210 nan 0.000 0.485 243 D N 6.682 127.011 120.400 -0.118 0.000 2.453 243 D HA 0.325 4.962 4.640 -0.006 0.000 0.223 243 D C 0.185 176.487 176.300 0.003 0.000 1.183 243 D CA -0.160 53.901 54.000 0.101 0.000 0.933 243 D CB 0.739 41.719 40.800 0.300 0.000 1.038 243 D HN 0.588 nan 8.370 nan 0.000 0.513 244 A N 3.314 126.087 122.820 -0.079 0.000 3.003 244 A HA 0.521 4.838 4.320 -0.006 0.000 0.301 244 A C 1.765 179.363 177.584 0.022 0.000 1.280 244 A CA 0.245 52.224 52.037 -0.097 0.000 0.973 244 A CB -0.123 18.675 19.000 -0.337 0.000 1.110 244 A HN 0.540 nan 8.150 nan 0.000 0.590 245 A N 0.698 123.567 122.820 0.082 0.000 1.915 245 A HA -0.243 4.074 4.320 -0.006 0.000 0.220 245 A C 2.455 180.191 177.584 0.253 0.000 1.198 245 A CA 2.855 54.979 52.037 0.145 0.000 0.647 245 A CB -0.606 18.426 19.000 0.054 0.000 0.825 245 A HN 1.170 nan 8.150 nan 0.000 0.456 246 S N -2.190 113.644 115.700 0.223 0.000 2.510 246 S HA 0.262 4.729 4.470 -0.006 0.000 0.230 246 S C 2.100 176.863 174.600 0.273 0.000 1.066 246 S CA 0.905 59.359 58.200 0.422 0.000 0.941 246 S CB -1.010 62.477 63.200 0.479 0.000 0.829 246 S HN 0.741 nan 8.310 nan 0.000 0.530 247 G N 1.627 110.449 108.800 0.037 0.000 2.448 247 G HA2 0.070 4.027 3.960 -0.006 0.000 0.219 247 G HA3 0.070 4.027 3.960 -0.006 0.000 0.219 247 G C 1.406 176.218 174.900 -0.147 0.000 1.127 247 G CA 0.660 45.673 45.100 -0.145 0.000 0.766 247 G HN 0.668 nan 8.290 nan 0.000 0.552 248 G N -0.053 108.672 108.800 -0.124 0.000 2.499 248 G HA2 -0.112 3.845 3.960 -0.006 0.000 0.221 248 G HA3 -0.112 3.845 3.960 -0.006 0.000 0.221 248 G C 0.928 175.826 174.900 -0.003 0.000 1.109 248 G CA 0.406 45.413 45.100 -0.156 0.000 0.749 248 G HN 0.388 nan 8.290 nan 0.000 0.568 249 F N -0.632 119.577 119.950 0.432 0.000 2.735 249 F HA 0.501 5.025 4.527 -0.006 0.000 0.304 249 F C 1.413 177.545 175.800 0.553 0.000 1.119 249 F CA -0.406 57.907 58.000 0.522 0.000 1.280 249 F CB 0.481 39.847 39.000 0.610 0.000 0.994 249 F HN -0.016 nan 8.300 nan 0.000 0.520 250 L N -1.301 120.179 121.223 0.427 0.000 2.777 250 L HA 0.301 4.637 4.340 -0.006 0.000 0.172 250 L C 2.457 179.517 176.870 0.316 0.000 1.179 250 L CA 0.804 55.874 54.840 0.382 0.000 0.859 250 L CB -0.855 41.300 42.059 0.160 0.000 1.269 250 L HN -0.000 nan 8.230 nan 0.000 0.511 251 A N 0.935 123.859 122.820 0.173 0.000 1.917 251 A HA -0.133 4.184 4.320 -0.006 0.000 0.219 251 A C -0.474 177.212 177.584 0.170 0.000 1.182 251 A CA 1.949 54.081 52.037 0.159 0.000 0.633 251 A CB -1.891 17.134 19.000 0.042 0.000 0.819 251 A HN 0.271 nan 8.150 nan 0.000 0.448 252 P HA -0.105 nan 4.420 nan 0.000 0.221 252 P C 0.597 177.732 177.300 -0.275 0.000 1.145 252 P CA 1.042 64.059 63.100 -0.138 0.000 0.795 252 P CB -0.073 31.398 31.700 -0.383 0.000 0.775 253 F N -1.869 118.207 119.950 0.211 0.000 2.453 253 F HA 0.043 4.566 4.527 -0.006 0.000 0.284 253 F C 2.047 177.939 175.800 0.153 0.000 1.065 253 F CA 0.497 58.605 58.000 0.180 0.000 1.411 253 F CB -1.210 37.930 39.000 0.234 0.000 1.131 253 F HN -0.272 nan 8.300 nan 0.000 0.582 254 V N -2.695 117.413 119.914 0.323 0.000 3.590 254 V HA 0.623 4.740 4.120 -0.006 0.000 0.265 254 V C 0.678 176.822 176.094 0.084 0.000 1.239 254 V CA 0.585 62.988 62.300 0.173 0.000 1.117 254 V CB -0.308 31.581 31.823 0.110 0.000 0.818 254 V HN 0.153 nan 8.190 nan 0.000 0.451 255 A N 0.350 123.242 122.820 0.119 0.000 3.474 255 A HA 0.675 4.992 4.320 -0.006 0.000 0.251 255 A C -1.754 175.915 177.584 0.141 0.000 1.062 255 A CA -0.523 51.577 52.037 0.105 0.000 0.945 255 A CB 0.392 19.459 19.000 0.112 0.000 1.296 255 A HN 0.322 nan 8.150 nan 0.000 0.592 256 P HA -0.137 nan 4.420 nan 0.000 0.219 256 P C 0.607 177.961 177.300 0.089 0.000 1.146 256 P CA 1.251 64.423 63.100 0.120 0.000 0.808 256 P CB 0.293 32.051 31.700 0.097 0.000 0.779 257 D N -0.814 119.625 120.400 0.066 0.000 2.312 257 D HA -0.007 4.630 4.640 -0.006 0.000 0.211 257 D C 0.875 177.197 176.300 0.036 0.000 0.964 257 D CA 0.451 54.467 54.000 0.026 0.000 0.877 257 D CB -0.294 40.513 40.800 0.012 0.000 0.924 257 D HN 0.248 nan 8.370 nan 0.000 0.515 258 I N 1.691 122.332 120.570 0.117 0.000 2.517 258 I HA -0.045 4.121 4.170 -0.006 0.000 0.285 258 I C 0.078 176.289 176.117 0.156 0.000 1.106 258 I CA -0.185 61.220 61.300 0.175 0.000 1.402 258 I CB 1.034 39.221 38.000 0.310 0.000 1.399 258 I HN -0.342 nan 8.210 nan 0.000 0.535 259 V N 8.158 128.084 119.914 0.020 0.000 2.339 259 V HA 0.100 4.216 4.120 -0.006 0.000 0.261 259 V C 0.487 176.491 176.094 -0.151 0.000 1.058 259 V CA -0.109 62.102 62.300 -0.149 0.000 0.897 259 V CB 0.045 31.758 31.823 -0.182 0.000 1.052 259 V HN 0.941 nan 8.190 nan 0.000 0.480 260 W N 3.360 124.404 121.300 -0.426 0.000 2.199 260 W HA 0.251 4.908 4.660 -0.006 0.000 0.264 260 W C 0.005 176.131 176.519 -0.656 0.000 0.923 260 W CA 0.157 57.126 57.345 -0.627 0.000 1.221 260 W CB -0.227 28.511 29.460 -1.204 0.000 0.974 260 W HN 0.631 nan 8.180 nan 0.000 0.562 261 D N 0.913 120.407 120.400 -1.509 0.000 2.440 261 D HA 0.158 4.795 4.640 -0.006 0.000 0.282 261 D C 0.861 176.687 176.300 -0.790 0.000 1.189 261 D CA -0.337 52.778 54.000 -1.474 0.000 1.105 261 D CB -0.516 39.289 40.800 -1.658 0.000 1.173 261 D HN -0.240 nan 8.370 nan 0.000 0.577 262 F N -0.481 119.215 119.950 -0.424 0.000 2.641 262 F HA 0.136 4.660 4.527 -0.006 0.000 0.298 262 F C 2.263 177.943 175.800 -0.201 0.000 1.146 262 F CA 0.372 58.242 58.000 -0.218 0.000 1.464 262 F CB -0.461 38.479 39.000 -0.101 0.000 1.101 262 F HN 0.044 nan 8.300 nan 0.000 0.585 263 R N -0.134 120.267 120.500 -0.165 0.000 2.189 263 R HA -0.013 4.323 4.340 -0.006 0.000 0.223 263 R C 0.349 176.530 176.300 -0.199 0.000 1.092 263 R CA 0.490 56.465 56.100 -0.208 0.000 0.989 263 R CB -0.207 29.877 30.300 -0.360 0.000 0.876 263 R HN 0.220 nan 8.270 nan 0.000 0.457 264 L N 1.535 122.623 121.223 -0.225 0.000 2.265 264 L HA 0.186 4.522 4.340 -0.006 0.000 0.288 264 L C -1.662 175.210 176.870 0.003 0.000 1.058 264 L CA -2.006 52.682 54.840 -0.253 0.000 0.809 264 L CB 1.270 43.162 42.059 -0.278 0.000 1.179 264 L HN -0.196 nan 8.230 nan 0.000 0.429 265 P HA -0.182 nan 4.420 nan 0.000 0.216 265 P C 1.192 178.619 177.300 0.213 0.000 1.154 265 P CA 1.538 64.747 63.100 0.182 0.000 0.865 265 P CB 0.143 31.957 31.700 0.189 0.000 0.789 266 R N -1.036 119.645 120.500 0.301 0.000 2.235 266 R HA 0.034 4.371 4.340 -0.006 0.000 0.213 266 R C 0.230 176.590 176.300 0.099 0.000 1.059 266 R CA 0.238 56.398 56.100 0.100 0.000 0.997 266 R CB -0.553 29.660 30.300 -0.145 0.000 0.884 266 R HN 0.084 nan 8.270 nan 0.000 0.462 267 V N 2.503 122.479 119.914 0.104 0.000 2.390 267 V HA -0.026 4.090 4.120 -0.006 0.000 0.260 267 V C 0.774 176.966 176.094 0.163 0.000 1.043 267 V CA 0.650 62.955 62.300 0.008 0.000 1.047 267 V CB 0.949 32.655 31.823 -0.196 0.000 1.066 267 V HN 0.070 nan 8.190 nan 0.000 0.481 268 K N 2.624 123.138 120.400 0.191 0.000 2.323 268 K HA 0.148 4.465 4.320 -0.006 0.000 0.197 268 K C 0.665 177.532 176.600 0.446 0.000 1.043 268 K CA 0.447 56.935 56.287 0.334 0.000 0.997 268 K CB 0.412 33.092 32.500 0.299 0.000 0.807 268 K HN 0.823 nan 8.250 nan 0.000 0.497 269 S N -1.006 114.836 115.700 0.236 0.000 2.547 269 S HA 0.655 5.122 4.470 -0.006 0.000 0.270 269 S C -0.859 173.542 174.600 -0.332 0.000 1.150 269 S CA -1.058 57.186 58.200 0.074 0.000 0.850 269 S CB 1.444 64.626 63.200 -0.030 0.000 1.118 269 S HN -0.038 nan 8.310 nan 0.000 0.461 270 I N 1.822 122.181 120.570 -0.351 0.000 2.686 270 I HA 0.608 4.774 4.170 -0.006 0.000 0.295 270 I C -0.587 175.410 176.117 -0.201 0.000 1.114 270 I CA -0.609 60.338 61.300 -0.589 0.000 1.038 270 I CB 2.663 40.134 38.000 -0.882 0.000 1.238 270 I HN 0.950 nan 8.210 nan 0.000 0.420 271 S N 3.829 119.419 115.700 -0.183 0.000 2.570 271 S HA 0.992 5.459 4.470 -0.006 0.000 0.286 271 S C -0.797 173.892 174.600 0.148 0.000 1.099 271 S CA -0.674 57.613 58.200 0.145 0.000 0.913 271 S CB 2.658 66.002 63.200 0.240 0.000 1.085 271 S HN 0.948 nan 8.310 nan 0.000 0.480 272 A N 1.084 124.134 122.820 0.383 0.000 2.610 272 A HA 0.810 5.126 4.320 -0.006 0.000 0.291 272 A C -0.828 177.051 177.584 0.490 0.000 1.086 272 A CA -0.876 51.422 52.037 0.435 0.000 0.677 272 A CB 1.193 20.532 19.000 0.566 0.000 1.278 272 A HN 0.892 nan 8.150 nan 0.000 0.414 273 S N 0.216 116.178 115.700 0.437 0.000 2.429 273 S HA 0.477 4.944 4.470 -0.006 0.000 0.302 273 S C 1.277 176.050 174.600 0.288 0.000 1.115 273 S CA 0.047 58.354 58.200 0.178 0.000 1.095 273 S CB 1.488 64.717 63.200 0.048 0.000 0.987 273 S HN 1.294 nan 8.310 nan 0.000 0.474 274 G N 1.785 110.645 108.800 0.100 0.000 2.403 274 G HA2 -0.161 3.796 3.960 -0.006 0.000 0.216 274 G HA3 -0.161 3.796 3.960 -0.006 0.000 0.216 274 G C 0.987 175.903 174.900 0.027 0.000 1.154 274 G CA 0.225 45.385 45.100 0.098 0.000 0.784 274 G HN 0.940 nan 8.290 nan 0.000 0.538 275 H N -0.485 118.627 119.070 0.069 0.000 2.553 275 H HA 0.351 4.904 4.556 -0.006 0.000 0.269 275 H C 1.265 176.613 175.328 0.033 0.000 1.011 275 H CA 0.194 56.259 56.048 0.029 0.000 1.150 275 H CB 0.248 30.006 29.762 -0.007 0.000 1.339 275 H HN 0.249 nan 8.280 nan 0.000 0.604 276 K N 0.353 120.899 120.400 0.243 0.000 4.493 276 K HA 0.179 4.496 4.320 -0.006 0.000 0.206 276 K C 0.612 177.216 176.600 0.007 0.000 1.105 276 K CA -0.591 55.776 56.287 0.133 0.000 1.928 276 K CB 0.122 32.778 32.500 0.260 0.000 2.779 276 K HN -0.001 nan 8.250 nan 0.000 0.614 277 F N 1.367 121.509 119.950 0.321 0.000 2.771 277 F HA 0.040 4.563 4.527 -0.006 0.000 0.299 277 F C 1.825 177.828 175.800 0.338 0.000 1.177 277 F CA 0.537 58.731 58.000 0.324 0.000 1.450 277 F CB -0.317 38.907 39.000 0.374 0.000 1.114 277 F HN 0.489 nan 8.300 nan 0.000 0.587 278 G N -0.602 108.343 108.800 0.242 0.000 2.650 278 G HA2 -0.015 3.942 3.960 -0.006 0.000 0.214 278 G HA3 -0.015 3.942 3.960 -0.006 0.000 0.214 278 G C 1.212 176.173 174.900 0.102 0.000 1.136 278 G CA 0.410 45.358 45.100 -0.253 0.000 0.789 278 G HN 0.458 nan 8.290 nan 0.000 0.536 279 L N -2.344 118.956 121.223 0.127 0.000 5.081 279 L HA -0.196 4.141 4.340 -0.006 0.000 0.423 279 L C 1.356 178.280 176.870 0.090 0.000 1.019 279 L CA -0.016 54.882 54.840 0.097 0.000 1.223 279 L CB -2.140 39.947 42.059 0.047 0.000 1.940 279 L HN 0.402 nan 8.230 nan 0.000 0.675 280 A N -0.125 122.740 122.820 0.075 0.000 2.287 280 A HA 0.688 5.005 4.320 -0.006 0.000 0.273 280 A C -2.073 175.559 177.584 0.081 0.000 1.091 280 A CA -0.866 51.211 52.037 0.066 0.000 0.817 280 A CB 0.127 19.154 19.000 0.045 0.000 1.069 280 A HN 0.007 nan 8.150 nan 0.000 0.492 281 P HA 0.264 nan 4.420 nan 0.000 0.274 281 P C -0.404 176.924 177.300 0.047 0.000 1.237 281 P CA -0.412 62.696 63.100 0.013 0.000 0.793 281 P CB 0.301 31.970 31.700 -0.052 0.000 0.977 282 L N 1.306 122.526 121.223 -0.006 0.000 2.628 282 L HA 0.082 4.419 4.340 -0.006 0.000 0.292 282 L C 1.464 178.349 176.870 0.025 0.000 1.250 282 L CA 1.474 56.278 54.840 -0.061 0.000 0.892 282 L CB -1.033 40.934 42.059 -0.154 0.000 1.138 282 L HN 0.866 nan 8.230 nan 0.000 0.502 283 G N 2.096 111.020 108.800 0.208 0.000 2.173 283 G HA2 -0.188 3.768 3.960 -0.006 0.000 0.174 283 G HA3 -0.188 3.768 3.960 -0.006 0.000 0.174 283 G C -0.467 174.418 174.900 -0.025 0.000 1.025 283 G CA -0.314 44.834 45.100 0.080 0.000 0.706 283 G HN 0.742 nan 8.290 nan 0.000 0.499 284 C N 0.549 119.840 119.300 -0.015 0.000 2.516 284 C HA 0.896 5.353 4.460 -0.006 0.000 0.338 284 C C 0.642 175.280 174.990 -0.586 0.000 1.132 284 C CA 0.641 59.439 59.018 -0.367 0.000 1.310 284 C CB 0.626 28.215 27.740 -0.251 0.000 1.898 284 C HN 1.398 nan 8.230 nan 0.000 0.452 285 G N 3.268 111.662 108.800 -0.676 0.000 2.680 285 G HA2 0.839 4.796 3.960 -0.006 0.000 0.290 285 G HA3 0.839 4.796 3.960 -0.006 0.000 0.290 285 G C -2.129 172.377 174.900 -0.657 0.000 1.355 285 G CA -0.562 44.245 45.100 -0.488 0.000 0.903 285 G HN 0.727 nan 8.290 nan 0.000 0.474 286 W N -0.865 120.514 121.300 0.133 0.000 3.256 286 W HA 0.568 5.224 4.660 -0.006 0.000 0.324 286 W C -1.008 175.628 176.519 0.196 0.000 1.196 286 W CA -0.863 56.592 57.345 0.182 0.000 1.206 286 W CB 2.417 32.036 29.460 0.266 0.000 1.385 286 W HN 0.428 nan 8.180 nan 0.000 0.522 287 V N 5.616 125.746 119.914 0.360 0.000 2.623 287 V HA 0.653 4.769 4.120 -0.006 0.000 0.304 287 V C -1.330 174.796 176.094 0.053 0.000 1.054 287 V CA -0.781 61.591 62.300 0.119 0.000 0.882 287 V CB 1.135 32.861 31.823 -0.161 0.000 1.002 287 V HN 0.451 nan 8.190 nan 0.000 0.424 288 I N 6.083 126.715 120.570 0.103 0.000 2.569 288 I HA 0.540 4.707 4.170 -0.006 0.000 0.296 288 I C -0.584 175.603 176.117 0.116 0.000 1.028 288 I CA -0.563 60.873 61.300 0.228 0.000 1.082 288 I CB 2.105 40.402 38.000 0.496 0.000 1.264 288 I HN 0.600 nan 8.210 nan 0.000 0.429 289 W N 4.305 125.806 121.300 0.336 0.000 2.627 289 W HA 0.395 5.053 4.660 -0.003 0.000 0.339 289 W C 1.405 177.888 176.519 -0.061 0.000 1.058 289 W CA -0.601 56.901 57.345 0.261 0.000 1.223 289 W CB 1.908 31.487 29.460 0.198 0.000 1.389 289 W HN 0.663 nan 8.180 nan 0.000 0.541 290 R N 0.767 121.319 120.500 0.086 0.000 2.103 290 R HA -0.207 4.129 4.340 -0.006 0.000 0.242 290 R C -0.257 175.934 176.300 -0.182 0.000 1.142 290 R CA 2.486 58.369 56.100 -0.363 0.000 0.960 290 R CB 0.024 30.326 30.300 0.003 0.000 0.858 290 R HN 0.657 nan 8.270 nan 0.000 0.439 291 D N -3.575 116.839 120.400 0.024 0.000 2.792 291 D HA 0.046 4.683 4.640 -0.006 0.000 0.335 291 D C -0.012 176.321 176.300 0.056 0.000 1.353 291 D CA -0.712 53.300 54.000 0.019 0.000 0.839 291 D CB 0.134 40.930 40.800 -0.006 0.000 1.396 291 D HN -0.248 nan 8.370 nan 0.000 0.479 292 E N 0.276 120.487 120.200 0.019 0.000 2.097 292 E HA -0.198 4.148 4.350 -0.006 0.000 0.196 292 E C 1.413 178.001 176.600 -0.019 0.000 1.000 292 E CA 1.634 58.029 56.400 -0.010 0.000 0.804 292 E CB -0.212 29.478 29.700 -0.017 0.000 0.740 292 E HN 0.664 nan 8.360 nan 0.000 0.454 293 E N 0.760 120.965 120.200 0.009 0.000 2.160 293 E HA -0.130 4.216 4.350 -0.006 0.000 0.195 293 E C 1.925 178.551 176.600 0.043 0.000 0.991 293 E CA 1.053 57.465 56.400 0.020 0.000 0.810 293 E CB -0.157 29.564 29.700 0.034 0.000 0.742 293 E HN 0.221 nan 8.360 nan 0.000 0.466 294 A N 0.885 123.755 122.820 0.084 0.000 2.119 294 A HA -0.002 4.314 4.320 -0.006 0.000 0.217 294 A C 1.071 178.691 177.584 0.060 0.000 1.153 294 A CA 0.351 52.492 52.037 0.173 0.000 0.692 294 A CB 0.014 19.215 19.000 0.335 0.000 0.799 294 A HN 0.183 nan 8.150 nan 0.000 0.458 295 L N 0.727 121.851 121.223 -0.165 0.000 2.324 295 L HA 0.510 4.846 4.340 -0.006 0.000 0.274 295 L C -2.912 173.761 176.870 -0.328 0.000 1.012 295 L CA -2.549 52.003 54.840 -0.481 0.000 0.859 295 L CB 1.257 42.818 42.059 -0.831 0.000 1.224 295 L HN -0.169 nan 8.230 nan 0.000 0.429 296 P HA 0.051 nan 4.420 nan 0.000 0.258 296 P C 0.097 177.224 177.300 -0.288 0.000 1.187 296 P CA 0.044 63.046 63.100 -0.163 0.000 0.767 296 P CB 0.500 32.185 31.700 -0.025 0.000 0.770 297 Q N 2.330 122.011 119.800 -0.200 0.000 2.368 297 Q HA -0.183 4.154 4.340 -0.006 0.000 0.210 297 Q C 1.151 176.996 176.000 -0.257 0.000 0.982 297 Q CA 1.514 57.184 55.803 -0.221 0.000 0.884 297 Q CB -0.120 28.534 28.738 -0.140 0.000 0.933 297 Q HN 0.551 nan 8.270 nan 0.000 0.460 298 E N 0.071 120.150 120.200 -0.202 0.000 2.265 298 E HA -0.097 4.250 4.350 -0.006 0.000 0.196 298 E C 1.667 178.050 176.600 -0.361 0.000 0.996 298 E CA 0.572 56.860 56.400 -0.186 0.000 0.832 298 E CB -0.088 29.648 29.700 0.060 0.000 0.756 298 E HN 0.319 nan 8.360 nan 0.000 0.491 299 L N -0.217 120.680 121.223 -0.544 0.000 2.446 299 L HA 0.096 4.433 4.340 -0.006 0.000 0.219 299 L C 0.213 176.798 176.870 -0.475 0.000 1.116 299 L CA -0.147 54.278 54.840 -0.693 0.000 0.844 299 L CB 0.277 41.525 42.059 -1.352 0.000 0.970 299 L HN -0.083 nan 8.230 nan 0.000 0.457 300 V N 0.293 119.948 119.914 -0.431 0.000 2.498 300 V HA 0.192 4.308 4.120 -0.006 0.000 0.279 300 V C -0.373 175.624 176.094 -0.162 0.000 1.048 300 V CA -0.242 61.967 62.300 -0.151 0.000 0.967 300 V CB 1.061 32.788 31.823 -0.160 0.000 0.988 300 V HN -0.085 nan 8.190 nan 0.000 0.473 301 F N 3.039 123.023 119.950 0.057 0.000 2.458 301 F HA 0.484 5.009 4.527 -0.003 0.000 0.336 301 F C 0.567 176.421 175.800 0.090 0.000 1.114 301 F CA -0.695 57.349 58.000 0.073 0.000 0.987 301 F CB 1.414 40.480 39.000 0.108 0.000 1.130 301 F HN 0.394 nan 8.300 nan 0.000 0.458 302 N N 2.693 121.501 118.700 0.179 0.000 2.419 302 N HA 0.497 5.233 4.740 -0.006 0.000 0.277 302 N C -1.176 174.431 175.510 0.160 0.000 1.006 302 N CA -0.236 52.906 53.050 0.152 0.000 0.923 302 N CB 2.192 40.725 38.487 0.078 0.000 1.140 302 N HN 0.382 nan 8.380 nan 0.000 0.488 303 V N -0.600 119.417 119.914 0.171 0.000 2.555 303 V HA 0.520 4.636 4.120 -0.006 0.000 0.302 303 V C -0.238 175.828 176.094 -0.048 0.000 1.038 303 V CA -1.082 61.245 62.300 0.045 0.000 0.887 303 V CB 1.806 33.637 31.823 0.012 0.000 0.991 303 V HN 0.341 nan 8.190 nan 0.000 0.434 304 D N 2.980 123.296 120.400 -0.141 0.000 2.304 304 D HA 0.631 5.267 4.640 -0.006 0.000 0.247 304 D C -0.863 175.247 176.300 -0.318 0.000 1.089 304 D CA 0.636 54.581 54.000 -0.091 0.000 0.910 304 D CB 0.840 41.616 40.800 -0.040 0.000 1.199 304 D HN 0.657 nan 8.370 nan 0.000 0.426 305 Y N -0.502 119.806 120.300 0.013 0.000 2.677 305 Y HA 0.280 4.826 4.550 -0.006 0.000 0.334 305 Y C 0.970 176.869 175.900 -0.003 0.000 1.154 305 Y CA -0.989 57.112 58.100 0.002 0.000 1.070 305 Y CB 0.704 39.158 38.460 -0.012 0.000 1.294 305 Y HN 0.130 nan 8.280 nan 0.000 0.475 306 L N 0.540 121.863 121.223 0.165 0.000 2.042 306 L HA -0.135 4.202 4.340 -0.006 0.000 0.210 306 L C 1.983 178.894 176.870 0.069 0.000 1.076 306 L CA 1.953 56.842 54.840 0.082 0.000 0.749 306 L CB -0.555 41.535 42.059 0.052 0.000 0.893 306 L HN 0.999 nan 8.230 nan 0.000 0.432 307 G N -1.016 107.826 108.800 0.069 0.000 3.026 307 G HA2 0.396 4.352 3.960 -0.006 0.000 0.208 307 G HA3 0.396 4.352 3.960 -0.006 0.000 0.208 307 G C 0.578 175.502 174.900 0.038 0.000 1.169 307 G CA 0.540 45.657 45.100 0.030 0.000 0.788 307 G HN 0.559 nan 8.290 nan 0.000 0.533 308 G N -0.664 108.189 108.800 0.088 0.000 2.392 308 G HA2 0.196 4.153 3.960 -0.006 0.000 0.677 308 G HA3 0.196 4.153 3.960 -0.006 0.000 0.677 308 G C -0.503 174.501 174.900 0.175 0.000 1.334 308 G CA -0.411 44.743 45.100 0.090 0.000 0.961 308 G HN 0.760 nan 8.290 nan 0.000 0.616 309 Q N -0.606 119.285 119.800 0.153 0.000 2.293 309 Q HA 0.732 5.068 4.340 -0.006 0.000 0.251 309 Q C -0.281 175.827 176.000 0.180 0.000 0.930 309 Q CA -0.555 55.382 55.803 0.223 0.000 0.893 309 Q CB 1.502 30.320 28.738 0.133 0.000 1.215 309 Q HN 0.615 nan 8.270 nan 0.000 0.425 310 I N 1.605 122.340 120.570 0.275 0.000 2.465 310 I HA 0.465 4.631 4.170 -0.006 0.000 0.291 310 I C 0.181 176.407 176.117 0.182 0.000 1.014 310 I CA -1.142 60.237 61.300 0.132 0.000 1.093 310 I CB 2.147 40.112 38.000 -0.058 0.000 1.267 310 I HN 0.844 nan 8.210 nan 0.000 0.431 311 G N 2.990 111.859 108.800 0.116 0.000 2.448 311 G HA2 0.664 4.621 3.960 -0.006 0.000 0.285 311 G HA3 0.664 4.621 3.960 -0.006 0.000 0.285 311 G C -0.490 174.508 174.900 0.162 0.000 1.176 311 G CA -0.207 44.974 45.100 0.135 0.000 0.852 311 G HN 0.639 nan 8.290 nan 0.000 0.530 312 T N -1.736 112.960 114.554 0.236 0.000 2.933 312 T HA 0.559 4.905 4.350 -0.006 0.000 0.305 312 T C -1.512 173.441 174.700 0.423 0.000 1.092 312 T CA -0.725 61.549 62.100 0.290 0.000 1.008 312 T CB 1.897 70.922 68.868 0.262 0.000 1.102 312 T HN 0.463 nan 8.240 nan 0.000 0.469 313 F N 2.658 122.738 119.950 0.218 0.000 2.443 313 F HA 0.796 5.321 4.527 -0.003 0.000 0.369 313 F C -0.656 175.295 175.800 0.253 0.000 1.090 313 F CA -1.517 56.601 58.000 0.197 0.000 1.129 313 F CB 0.216 39.250 39.000 0.057 0.000 1.367 313 F HN 1.139 nan 8.300 nan 0.000 0.465 314 A N 5.754 128.715 122.820 0.234 0.000 2.594 314 A HA 0.594 4.911 4.320 -0.006 0.000 0.295 314 A C -0.097 177.544 177.584 0.094 0.000 1.071 314 A CA -0.584 51.509 52.037 0.094 0.000 0.685 314 A CB 0.936 20.102 19.000 0.276 0.000 1.285 314 A HN 0.595 nan 8.150 nan 0.000 0.405 315 I N 0.439 121.029 120.570 0.034 0.000 2.400 315 I HA -0.036 4.131 4.170 -0.006 0.000 0.248 315 I C 0.764 176.939 176.117 0.097 0.000 1.109 315 I CA 0.450 61.795 61.300 0.075 0.000 1.425 315 I CB -0.021 38.025 38.000 0.077 0.000 1.094 315 I HN 0.594 nan 8.210 nan 0.000 0.425 316 N N 0.010 118.763 118.700 0.088 0.000 2.408 316 N HA 0.154 4.890 4.740 -0.006 0.000 0.260 316 N C -0.042 175.637 175.510 0.282 0.000 1.242 316 N CA 0.012 53.135 53.050 0.121 0.000 0.959 316 N CB 1.675 40.175 38.487 0.022 0.000 1.201 316 N HN -0.050 nan 8.380 nan 0.000 0.511 317 F N -0.022 119.988 119.950 0.100 0.000 2.021 317 F HA 0.289 4.813 4.527 -0.006 0.000 0.211 317 F C 0.666 176.585 175.800 0.198 0.000 1.258 317 F CA -0.218 57.875 58.000 0.155 0.000 1.286 317 F CB -0.358 38.690 39.000 0.080 0.000 1.870 317 F HN 0.182 nan 8.300 nan 0.000 0.187 318 S N 2.339 118.178 115.700 0.231 0.000 2.537 318 S HA 0.482 4.948 4.470 -0.006 0.000 0.286 318 S C -0.605 174.057 174.600 0.102 0.000 1.299 318 S CA -0.217 58.050 58.200 0.111 0.000 1.067 318 S CB -0.241 63.055 63.200 0.161 0.000 0.864 318 S HN 0.487 nan 8.310 nan 0.000 0.494 319 R N 2.119 122.668 120.500 0.082 0.000 2.774 319 R HA 0.430 4.767 4.340 -0.006 0.000 0.279 319 R C -3.576 172.735 176.300 0.019 0.000 1.022 319 R CA -1.763 54.353 56.100 0.026 0.000 0.855 319 R CB 0.397 30.678 30.300 -0.033 0.000 1.279 319 R HN 0.284 nan 8.270 nan 0.000 0.485 320 P HA 0.122 nan 4.420 nan 0.000 0.274 320 P C -0.269 177.011 177.300 -0.033 0.000 1.231 320 P CA -0.233 62.836 63.100 -0.051 0.000 0.790 320 P CB 1.516 33.176 31.700 -0.066 0.000 0.951 321 A N 2.264 125.074 122.820 -0.018 0.000 2.348 321 A HA 0.273 4.589 4.320 -0.006 0.000 0.224 321 A C 2.075 179.663 177.584 0.006 0.000 1.227 321 A CA 0.778 52.845 52.037 0.050 0.000 0.885 321 A CB -1.043 18.009 19.000 0.087 0.000 0.933 321 A HN 0.597 nan 8.150 nan 0.000 0.506 322 G N 0.227 109.005 108.800 -0.036 0.000 2.440 322 G HA2 -0.267 3.690 3.960 -0.006 0.000 0.218 322 G HA3 -0.267 3.690 3.960 -0.006 0.000 0.218 322 G C 1.428 176.312 174.900 -0.027 0.000 1.154 322 G CA 1.260 46.340 45.100 -0.034 0.000 0.767 322 G HN 0.543 nan 8.290 nan 0.000 0.552 323 Q N -0.116 119.652 119.800 -0.053 0.000 2.084 323 Q HA -0.006 4.331 4.340 -0.006 0.000 0.202 323 Q C 2.790 178.781 176.000 -0.015 0.000 0.978 323 Q CA 1.182 56.955 55.803 -0.052 0.000 0.844 323 Q CB -0.483 28.198 28.738 -0.095 0.000 0.898 323 Q HN 0.352 nan 8.270 nan 0.000 0.426 324 V N 0.459 120.366 119.914 -0.011 0.000 2.343 324 V HA -0.251 3.866 4.120 -0.006 0.000 0.247 324 V C 2.003 178.190 176.094 0.156 0.000 1.051 324 V CA 1.603 63.962 62.300 0.099 0.000 1.036 324 V CB -0.444 31.468 31.823 0.148 0.000 0.654 324 V HN 0.364 nan 8.190 nan 0.000 0.451 325 I N 0.352 120.994 120.570 0.120 0.000 2.226 325 I HA -0.239 3.928 4.170 -0.006 0.000 0.245 325 I C 2.639 178.857 176.117 0.169 0.000 1.100 325 I CA 1.528 62.920 61.300 0.154 0.000 1.374 325 I CB -0.575 37.482 38.000 0.095 0.000 1.057 325 I HN 0.286 nan 8.210 nan 0.000 0.413 326 A N 0.123 122.999 122.820 0.093 0.000 1.933 326 A HA -0.285 4.032 4.320 -0.006 0.000 0.218 326 A C 2.238 179.896 177.584 0.123 0.000 1.175 326 A CA 1.953 54.050 52.037 0.099 0.000 0.628 326 A CB -0.613 18.406 19.000 0.031 0.000 0.814 326 A HN 0.445 nan 8.150 nan 0.000 0.444 327 Q N -1.442 118.385 119.800 0.044 0.000 2.084 327 Q HA -0.213 4.123 4.340 -0.006 0.000 0.202 327 Q C 1.841 177.627 176.000 -0.357 0.000 0.978 327 Q CA 2.195 57.911 55.803 -0.144 0.000 0.844 327 Q CB -0.619 28.096 28.738 -0.038 0.000 0.898 327 Q HN 0.690 nan 8.270 nan 0.000 0.426 328 Y N -0.217 119.955 120.300 -0.213 0.000 2.224 328 Y HA -0.252 4.295 4.550 -0.005 0.000 0.289 328 Y C 1.970 177.901 175.900 0.051 0.000 1.146 328 Y CA 1.730 59.764 58.100 -0.109 0.000 1.182 328 Y CB -0.733 37.758 38.460 0.050 0.000 0.983 328 Y HN 0.378 nan 8.280 nan 0.000 0.524 329 Y N 1.119 121.365 120.300 -0.090 0.000 2.165 329 Y HA -0.203 4.344 4.550 -0.006 0.000 0.286 329 Y C 2.116 177.974 175.900 -0.070 0.000 1.155 329 Y CA 2.179 60.213 58.100 -0.110 0.000 1.164 329 Y CB -0.338 38.110 38.460 -0.021 0.000 0.978 329 Y HN 0.102 nan 8.280 nan 0.000 0.513 330 E N -0.090 120.029 120.200 -0.134 0.000 2.047 330 E HA -0.158 4.189 4.350 -0.006 0.000 0.191 330 E C 2.141 178.827 176.600 0.144 0.000 0.987 330 E CA 1.080 57.409 56.400 -0.118 0.000 0.799 330 E CB -0.718 29.017 29.700 0.058 0.000 0.752 330 E HN 0.447 nan 8.360 nan 0.000 0.449 331 F N 1.079 121.053 119.950 0.041 0.000 2.095 331 F HA -0.134 4.389 4.527 -0.006 0.000 0.298 331 F C 2.475 178.223 175.800 -0.087 0.000 1.104 331 F CA 0.621 58.652 58.000 0.051 0.000 1.232 331 F CB -1.174 37.836 39.000 0.016 0.000 0.987 331 F HN -0.002 nan 8.300 nan 0.000 0.475 332 L N 0.074 121.250 121.223 -0.079 0.000 2.027 332 L HA -0.196 4.140 4.340 -0.006 0.000 0.206 332 L C 2.729 179.512 176.870 -0.146 0.000 1.074 332 L CA 1.672 56.400 54.840 -0.188 0.000 0.745 332 L CB -0.515 41.320 42.059 -0.373 0.000 0.898 332 L HN 0.158 nan 8.230 nan 0.000 0.433 333 R N 0.025 120.376 120.500 -0.247 0.000 2.153 333 R HA -0.082 4.255 4.340 -0.006 0.000 0.218 333 R C 1.850 178.058 176.300 -0.153 0.000 1.072 333 R CA 1.003 56.958 56.100 -0.242 0.000 0.990 333 R CB -0.156 29.865 30.300 -0.464 0.000 0.889 333 R HN 0.339 nan 8.270 nan 0.000 0.452 334 L N 0.231 121.387 121.223 -0.111 0.000 2.262 334 L HA 0.284 4.620 4.340 -0.006 0.000 0.197 334 L C 1.195 178.083 176.870 0.030 0.000 1.073 334 L CA 0.582 55.378 54.840 -0.074 0.000 0.800 334 L CB -0.647 41.291 42.059 -0.202 0.000 0.987 334 L HN 0.531 nan 8.230 nan 0.000 0.470 335 G N 0.340 109.214 108.800 0.124 0.000 2.804 335 G HA2 -0.306 3.650 3.960 -0.006 0.000 0.230 335 G HA3 -0.306 3.650 3.960 -0.006 0.000 0.230 335 G C 0.390 175.351 174.900 0.102 0.000 1.386 335 G CA 0.247 45.399 45.100 0.088 0.000 0.875 335 G HN 0.228 nan 8.290 nan 0.000 0.557 336 R N 0.022 120.583 120.500 0.102 0.000 2.081 336 R HA -0.064 4.273 4.340 -0.006 0.000 0.235 336 R C 2.567 178.925 176.300 0.097 0.000 1.131 336 R CA 1.709 57.919 56.100 0.183 0.000 0.960 336 R CB -0.306 30.140 30.300 0.243 0.000 0.856 336 R HN 0.740 nan 8.270 nan 0.000 0.436 337 E N 0.168 120.410 120.200 0.069 0.000 2.049 337 E HA -0.193 4.153 4.350 -0.006 0.000 0.198 337 E C 1.992 178.595 176.600 0.004 0.000 1.007 337 E CA 1.684 58.109 56.400 0.042 0.000 0.809 337 E CB -0.202 29.515 29.700 0.028 0.000 0.749 337 E HN 0.439 nan 8.360 nan 0.000 0.450 338 G N -0.769 108.016 108.800 -0.025 0.000 2.394 338 G HA2 -0.241 3.716 3.960 -0.006 0.000 0.215 338 G HA3 -0.241 3.716 3.960 -0.006 0.000 0.215 338 G C 1.238 176.035 174.900 -0.171 0.000 1.165 338 G CA 0.693 45.738 45.100 -0.091 0.000 0.784 338 G HN 0.292 nan 8.290 nan 0.000 0.535 339 Y N 1.445 121.544 120.300 -0.334 0.000 2.224 339 Y HA -0.111 4.436 4.550 -0.005 0.000 0.289 339 Y C 3.328 179.022 175.900 -0.342 0.000 1.146 339 Y CA 1.799 59.574 58.100 -0.541 0.000 1.182 339 Y CB -0.359 37.209 38.460 -1.487 0.000 0.983 339 Y HN 0.144 nan 8.280 nan 0.000 0.524 340 T N -0.313 114.206 114.554 -0.058 0.000 2.746 340 T HA -0.190 4.157 4.350 -0.006 0.000 0.267 340 T C 1.789 176.541 174.700 0.087 0.000 1.039 340 T CA 1.706 63.880 62.100 0.123 0.000 1.142 340 T CB -0.163 68.802 68.868 0.161 0.000 0.866 340 T HN 0.255 nan 8.240 nan 0.000 0.444 341 K N 0.392 120.805 120.400 0.021 0.000 2.057 341 K HA 0.017 4.334 4.320 -0.006 0.000 0.206 341 K C 2.313 178.909 176.600 -0.007 0.000 1.050 341 K CA 0.679 56.971 56.287 0.007 0.000 0.935 341 K CB -0.328 32.160 32.500 -0.020 0.000 0.715 341 K HN 0.100 nan 8.250 nan 0.000 0.439 342 V N 1.747 121.627 119.914 -0.057 0.000 2.295 342 V HA -0.257 3.860 4.120 -0.006 0.000 0.246 342 V C 2.323 178.429 176.094 0.020 0.000 1.049 342 V CA 1.644 63.899 62.300 -0.075 0.000 1.024 342 V CB -0.413 31.299 31.823 -0.185 0.000 0.648 342 V HN 0.346 nan 8.190 nan 0.000 0.447 343 Q N -0.105 119.754 119.800 0.099 0.000 2.119 343 Q HA -0.178 4.158 4.340 -0.006 0.000 0.201 343 Q C 2.021 178.169 176.000 0.246 0.000 0.972 343 Q CA 1.599 57.520 55.803 0.197 0.000 0.847 343 Q CB -0.813 28.129 28.738 0.340 0.000 0.903 343 Q HN 0.731 nan 8.270 nan 0.000 0.433 344 N N 0.734 119.576 118.700 0.236 0.000 2.149 344 N HA -0.155 4.582 4.740 -0.006 0.000 0.188 344 N C 1.779 177.387 175.510 0.163 0.000 1.019 344 N CA 1.020 54.210 53.050 0.233 0.000 0.857 344 N CB -0.068 38.498 38.487 0.132 0.000 0.997 344 N HN 0.271 nan 8.380 nan 0.000 0.426 345 A N 0.399 123.269 122.820 0.083 0.000 1.908 345 A HA -0.138 4.178 4.320 -0.006 0.000 0.218 345 A C 2.318 179.924 177.584 0.037 0.000 1.181 345 A CA 1.610 53.666 52.037 0.032 0.000 0.627 345 A CB -0.546 18.443 19.000 -0.018 0.000 0.818 345 A HN 0.210 nan 8.150 nan 0.000 0.445 346 S N -1.559 114.163 115.700 0.037 0.000 2.383 346 S HA -0.095 4.372 4.470 -0.006 0.000 0.227 346 S C 1.802 176.391 174.600 -0.019 0.000 1.026 346 S CA 1.250 59.455 58.200 0.008 0.000 0.981 346 S CB -0.519 62.680 63.200 -0.001 0.000 0.818 346 S HN 0.640 nan 8.310 nan 0.000 0.472 347 Y N 2.336 122.664 120.300 0.046 0.000 2.224 347 Y HA -0.120 4.426 4.550 -0.006 0.000 0.289 347 Y C 2.614 178.529 175.900 0.025 0.000 1.146 347 Y CA 0.992 59.105 58.100 0.021 0.000 1.182 347 Y CB -0.519 37.945 38.460 0.007 0.000 0.983 347 Y HN 0.329 nan 8.280 nan 0.000 0.524 348 Q N -0.928 118.973 119.800 0.168 0.000 2.119 348 Q HA -0.149 4.188 4.340 -0.006 0.000 0.201 348 Q C 2.350 178.404 176.000 0.090 0.000 0.972 348 Q CA 1.747 57.609 55.803 0.098 0.000 0.847 348 Q CB -0.350 28.415 28.738 0.044 0.000 0.903 348 Q HN 0.311 nan 8.270 nan 0.000 0.433 349 V N 0.973 120.929 119.914 0.070 0.000 2.307 349 V HA -0.276 3.840 4.120 -0.006 0.000 0.245 349 V C 2.285 178.469 176.094 0.150 0.000 1.045 349 V CA 1.833 64.181 62.300 0.079 0.000 1.024 349 V CB -1.007 30.829 31.823 0.022 0.000 0.651 349 V HN 0.404 nan 8.190 nan 0.000 0.449 350 A N 0.154 123.049 122.820 0.126 0.000 1.883 350 A HA -0.182 4.134 4.320 -0.006 0.000 0.217 350 A C 2.446 180.077 177.584 0.079 0.000 1.186 350 A CA 2.365 54.467 52.037 0.108 0.000 0.624 350 A CB -0.975 18.066 19.000 0.068 0.000 0.822 350 A HN 0.590 nan 8.150 nan 0.000 0.444 351 A N -1.586 121.289 122.820 0.093 0.000 1.908 351 A HA -0.156 4.161 4.320 -0.006 0.000 0.218 351 A C 2.161 179.762 177.584 0.028 0.000 1.181 351 A CA 1.857 53.922 52.037 0.045 0.000 0.627 351 A CB -0.840 18.198 19.000 0.064 0.000 0.818 351 A HN 0.796 nan 8.150 nan 0.000 0.445 352 Y N 0.391 120.665 120.300 -0.044 0.000 2.145 352 Y HA -0.142 4.404 4.550 -0.006 0.000 0.286 352 Y C 1.957 177.806 175.900 -0.085 0.000 1.145 352 Y CA 1.750 59.811 58.100 -0.065 0.000 1.148 352 Y CB -0.379 38.045 38.460 -0.059 0.000 0.981 352 Y HN 0.213 nan 8.280 nan 0.000 0.507 353 L N -0.406 120.732 121.223 -0.143 0.000 2.046 353 L HA -0.220 4.116 4.340 -0.006 0.000 0.208 353 L C 2.788 179.491 176.870 -0.278 0.000 1.077 353 L CA 1.147 55.842 54.840 -0.242 0.000 0.747 353 L CB -1.039 41.005 42.059 -0.027 0.000 0.896 353 L HN 0.355 nan 8.230 nan 0.000 0.432 354 A N 0.305 122.997 122.820 -0.214 0.000 1.865 354 A HA -0.273 4.043 4.320 -0.006 0.000 0.217 354 A C 1.865 179.148 177.584 -0.502 0.000 1.191 354 A CA 2.296 54.125 52.037 -0.347 0.000 0.623 354 A CB -0.728 18.072 19.000 -0.333 0.000 0.826 354 A HN 0.372 nan 8.150 nan 0.000 0.444 355 D N -0.815 119.353 120.400 -0.386 0.000 2.123 355 D HA -0.115 4.522 4.640 -0.006 0.000 0.196 355 D C 1.951 178.055 176.300 -0.327 0.000 0.992 355 D CA 1.628 55.427 54.000 -0.335 0.000 0.833 355 D CB -0.236 40.430 40.800 -0.224 0.000 0.954 355 D HN 0.495 nan 8.370 nan 0.000 0.455 356 E N 0.012 119.957 120.200 -0.425 0.000 2.072 356 E HA 0.019 4.365 4.350 -0.006 0.000 0.190 356 E C 2.097 178.503 176.600 -0.324 0.000 0.982 356 E CA 0.372 56.523 56.400 -0.416 0.000 0.803 356 E CB -0.136 29.164 29.700 -0.667 0.000 0.755 356 E HN 0.289 nan 8.360 nan 0.000 0.453 357 I N 0.165 120.522 120.570 -0.356 0.000 2.394 357 I HA -0.230 3.937 4.170 -0.006 0.000 0.251 357 I C 2.143 178.242 176.117 -0.030 0.000 1.136 357 I CA 0.904 61.990 61.300 -0.357 0.000 1.425 357 I CB -0.309 37.379 38.000 -0.519 0.000 1.079 357 I HN 0.101 nan 8.210 nan 0.000 0.425 358 A N 0.926 123.771 122.820 0.041 0.000 2.076 358 A HA -0.200 4.117 4.320 -0.006 0.000 0.220 358 A C 2.143 179.769 177.584 0.070 0.000 1.160 358 A CA 1.436 53.606 52.037 0.222 0.000 0.653 358 A CB -0.406 18.564 19.000 -0.050 0.000 0.801 358 A HN 0.392 nan 8.150 nan 0.000 0.455 359 K N -0.471 119.911 120.400 -0.030 0.000 2.459 359 K HA 0.220 4.537 4.320 -0.006 0.000 0.193 359 K C 0.953 177.534 176.600 -0.031 0.000 1.030 359 K CA 0.374 56.634 56.287 -0.044 0.000 1.026 359 K CB -0.021 32.437 32.500 -0.069 0.000 0.809 359 K HN 0.483 nan 8.250 nan 0.000 0.504 360 L N -0.440 120.783 121.223 -0.001 0.000 2.554 360 L HA 0.218 4.554 4.340 -0.006 0.000 0.225 360 L C 0.932 177.810 176.870 0.013 0.000 1.104 360 L CA -0.303 54.566 54.840 0.048 0.000 0.866 360 L CB 0.484 42.595 42.059 0.087 0.000 1.047 360 L HN 0.109 nan 8.230 nan 0.000 0.468 361 G N -0.233 108.393 108.800 -0.290 0.000 2.559 361 G HA2 0.333 4.290 3.960 -0.006 0.000 0.291 361 G HA3 0.333 4.290 3.960 -0.006 0.000 0.291 361 G C -2.976 171.347 174.900 -0.962 0.000 1.424 361 G CA -0.498 44.183 45.100 -0.699 0.000 0.786 361 G HN -0.324 nan 8.290 nan 0.000 0.485 362 P HA 0.287 nan 4.420 nan 0.000 0.252 362 P C -1.380 175.745 177.300 -0.292 0.000 1.727 362 P CA 0.039 62.917 63.100 -0.369 0.000 1.134 362 P CB -0.379 31.196 31.700 -0.209 0.000 1.876 363 Y N -0.123 120.178 120.300 0.002 0.000 2.487 363 Y HA 0.495 5.041 4.550 -0.006 0.000 0.337 363 Y C 0.867 176.714 175.900 -0.088 0.000 1.076 363 Y CA -1.669 56.380 58.100 -0.086 0.000 1.115 363 Y CB 1.667 39.921 38.460 -0.344 0.000 1.235 363 Y HN 0.243 nan 8.280 nan 0.000 0.468 364 E N 2.232 122.464 120.200 0.053 0.000 2.155 364 E HA 0.438 4.785 4.350 -0.006 0.000 0.264 364 E C -1.798 174.788 176.600 -0.023 0.000 0.886 364 E CA -0.521 55.922 56.400 0.070 0.000 0.752 364 E CB 0.691 30.425 29.700 0.056 0.000 1.133 364 E HN 0.452 nan 8.360 nan 0.000 0.414 365 F N 4.197 124.226 119.950 0.131 0.000 2.394 365 F HA 0.323 4.847 4.527 -0.006 0.000 0.340 365 F C 1.063 176.926 175.800 0.104 0.000 1.105 365 F CA -0.375 57.702 58.000 0.129 0.000 1.124 365 F CB 0.920 39.962 39.000 0.069 0.000 1.145 365 F HN 0.541 nan 8.300 nan 0.000 0.505 366 I N 0.668 121.392 120.570 0.257 0.000 3.526 366 I HA 0.085 4.252 4.170 -0.006 0.000 0.294 366 I C 0.103 176.355 176.117 0.224 0.000 1.229 366 I CA 0.633 62.057 61.300 0.205 0.000 1.408 366 I CB 0.624 38.713 38.000 0.149 0.000 1.127 366 I HN 0.471 nan 8.210 nan 0.000 0.439 367 C N 0.742 120.181 119.300 0.232 0.000 2.642 367 C HA 0.432 4.888 4.460 -0.006 0.000 0.344 367 C C 0.955 176.051 174.990 0.176 0.000 1.110 367 C CA -0.284 58.829 59.018 0.158 0.000 1.298 367 C CB 0.775 28.578 27.740 0.105 0.000 1.827 367 C HN 0.481 nan 8.230 nan 0.000 0.467 368 T N 0.373 114.978 114.554 0.085 0.000 3.228 368 T HA 0.408 4.755 4.350 -0.006 0.000 0.278 368 T C 1.125 175.831 174.700 0.010 0.000 1.014 368 T CA 0.773 62.877 62.100 0.007 0.000 0.904 368 T CB 0.029 68.829 68.868 -0.113 0.000 1.110 368 T HN 2.241 nan 8.240 nan 0.000 0.541 369 G N 2.096 110.925 108.800 0.047 0.000 2.176 369 G HA2 -0.269 3.687 3.960 -0.006 0.000 0.252 369 G HA3 -0.269 3.687 3.960 -0.006 0.000 0.252 369 G C -0.059 174.944 174.900 0.172 0.000 1.024 369 G CA -0.347 44.819 45.100 0.110 0.000 0.755 369 G HN 0.703 nan 8.290 nan 0.000 0.507 370 R N -0.152 120.380 120.500 0.053 0.000 2.308 370 R HA 0.379 4.715 4.340 -0.006 0.000 0.305 370 R C -1.302 174.902 176.300 -0.160 0.000 1.053 370 R CA -1.737 54.341 56.100 -0.036 0.000 0.957 370 R CB 1.079 31.360 30.300 -0.032 0.000 1.022 370 R HN 0.038 nan 8.270 nan 0.000 0.461 371 P HA -0.217 nan 4.420 nan 0.000 0.218 371 P C 0.522 177.706 177.300 -0.194 0.000 1.148 371 P CA 1.280 63.941 63.100 -0.731 0.000 0.822 371 P CB 0.195 31.438 31.700 -0.761 0.000 0.784 372 D N -0.784 119.575 120.400 -0.068 0.000 2.347 372 D HA -0.112 4.525 4.640 -0.006 0.000 0.213 372 D C 1.378 177.826 176.300 0.246 0.000 0.985 372 D CA 0.927 54.987 54.000 0.099 0.000 0.879 372 D CB -0.468 40.361 40.800 0.049 0.000 0.919 372 D HN 0.242 nan 8.370 nan 0.000 0.526 373 E N -0.322 119.937 120.200 0.100 0.000 2.340 373 E HA 0.346 4.693 4.350 -0.006 0.000 0.198 373 E C 0.970 177.390 176.600 -0.300 0.000 0.961 373 E CA 0.365 56.820 56.400 0.092 0.000 0.905 373 E CB 1.029 30.753 29.700 0.040 0.000 0.884 373 E HN 0.364 nan 8.360 nan 0.000 0.491 374 G N 0.896 109.311 108.800 -0.641 0.000 2.435 374 G HA2 0.223 4.179 3.960 -0.006 0.000 0.228 374 G HA3 0.223 4.179 3.960 -0.006 0.000 0.228 374 G C -1.155 173.171 174.900 -0.956 0.000 1.198 374 G CA -0.541 43.672 45.100 -1.478 0.000 0.948 374 G HN 0.108 nan 8.290 nan 0.000 0.487 375 I N -1.236 118.929 120.570 -0.675 0.000 3.078 375 I HA 0.679 4.845 4.170 -0.006 0.000 0.318 375 I C -2.435 173.482 176.117 -0.334 0.000 1.016 375 I CA -2.580 58.452 61.300 -0.446 0.000 1.130 375 I CB 1.980 39.720 38.000 -0.433 0.000 1.397 375 I HN 0.090 nan 8.210 nan 0.000 0.570 376 P HA 0.242 nan 4.420 nan 0.000 0.241 376 P C -1.028 176.186 177.300 -0.144 0.000 1.760 376 P CA 0.262 63.074 63.100 -0.481 0.000 1.081 376 P CB -0.093 31.252 31.700 -0.592 0.000 1.975 377 A N 1.482 124.253 122.820 -0.081 0.000 2.556 377 A HA 0.715 5.031 4.320 -0.006 0.000 0.294 377 A C -1.166 176.439 177.584 0.035 0.000 1.091 377 A CA -0.612 51.407 52.037 -0.031 0.000 0.704 377 A CB 1.582 20.546 19.000 -0.060 0.000 1.300 377 A HN 0.062 nan 8.150 nan 0.000 0.406 378 V N 0.101 120.062 119.914 0.077 0.000 2.487 378 V HA 0.582 4.698 4.120 -0.006 0.000 0.298 378 V C -0.674 175.548 176.094 0.213 0.000 1.028 378 V CA -0.541 61.863 62.300 0.173 0.000 0.860 378 V CB 1.121 33.058 31.823 0.190 0.000 0.991 378 V HN 1.101 nan 8.190 nan 0.000 0.427 379 C N 7.644 127.103 119.300 0.265 0.000 2.481 379 C HA 0.936 5.393 4.460 -0.006 0.000 0.324 379 C C -0.902 174.207 174.990 0.198 0.000 1.170 379 C CA -0.671 58.437 59.018 0.150 0.000 1.361 379 C CB 0.162 27.957 27.740 0.093 0.000 1.977 379 C HN 0.881 nan 8.230 nan 0.000 0.459 380 F N 3.900 123.695 119.950 -0.259 0.000 2.711 380 F HA 0.854 5.378 4.527 -0.006 0.000 0.313 380 F C -1.036 174.534 175.800 -0.384 0.000 1.141 380 F CA -0.999 56.729 58.000 -0.453 0.000 0.941 380 F CB 1.043 39.408 39.000 -1.059 0.000 1.349 380 F HN 0.663 nan 8.300 nan 0.000 0.464 381 K N 1.077 121.348 120.400 -0.217 0.000 2.466 381 K HA 0.726 5.043 4.320 -0.006 0.000 0.260 381 K C -1.778 174.833 176.600 0.019 0.000 1.011 381 K CA -1.026 55.132 56.287 -0.216 0.000 0.871 381 K CB 2.346 34.743 32.500 -0.172 0.000 1.404 381 K HN 0.837 nan 8.250 nan 0.000 0.450 382 L N 2.105 123.347 121.223 0.033 0.000 2.426 382 L HA 0.222 4.559 4.340 -0.006 0.000 0.271 382 L C 0.235 177.129 176.870 0.041 0.000 1.169 382 L CA -0.509 54.405 54.840 0.124 0.000 0.836 382 L CB 0.567 42.651 42.059 0.042 0.000 1.112 382 L HN 0.585 nan 8.230 nan 0.000 0.465 383 K N 2.192 122.615 120.400 0.038 0.000 2.485 383 K HA 0.011 4.328 4.320 -0.006 0.000 0.277 383 K C -0.428 176.164 176.600 -0.013 0.000 0.990 383 K CA -0.357 55.934 56.287 0.008 0.000 0.994 383 K CB 0.257 32.755 32.500 -0.003 0.000 0.906 383 K HN 0.474 nan 8.250 nan 0.000 0.488 384 D N 1.149 121.541 120.400 -0.012 0.000 2.525 384 D HA -0.038 4.598 4.640 -0.006 0.000 0.235 384 D C 1.174 177.460 176.300 -0.022 0.000 1.137 384 D CA 1.209 55.198 54.000 -0.018 0.000 0.868 384 D CB 0.720 41.512 40.800 -0.014 0.000 1.180 384 D HN 0.834 nan 8.370 nan 0.000 0.465 385 G N 1.961 110.745 108.800 -0.025 0.000 2.168 385 G HA2 -0.311 3.645 3.960 -0.006 0.000 0.257 385 G HA3 -0.311 3.645 3.960 -0.006 0.000 0.257 385 G C 0.300 175.177 174.900 -0.037 0.000 0.997 385 G CA 0.507 45.590 45.100 -0.027 0.000 0.708 385 G HN 0.504 nan 8.290 nan 0.000 0.520 386 E N 0.358 120.529 120.200 -0.048 0.000 2.175 386 E HA 0.548 4.895 4.350 -0.006 0.000 0.278 386 E C -0.889 175.656 176.600 -0.093 0.000 0.969 386 E CA -0.765 55.594 56.400 -0.067 0.000 0.796 386 E CB 1.129 30.785 29.700 -0.073 0.000 1.104 386 E HN 0.113 nan 8.360 nan 0.000 0.395 387 D N 4.801 125.140 120.400 -0.103 0.000 2.432 387 D HA 0.285 4.921 4.640 -0.006 0.000 0.265 387 D C -1.949 174.248 176.300 -0.171 0.000 1.160 387 D CA -1.855 52.067 54.000 -0.129 0.000 0.911 387 D CB 1.167 41.919 40.800 -0.081 0.000 1.052 387 D HN 0.243 nan 8.370 nan 0.000 0.508 388 P HA 0.213 nan 4.420 nan 0.000 0.233 388 P C 0.664 177.806 177.300 -0.262 0.000 1.167 388 P CA 0.535 63.430 63.100 -0.341 0.000 0.770 388 P CB 0.459 31.769 31.700 -0.649 0.000 0.837 389 G N -1.390 107.258 108.800 -0.254 0.000 2.135 389 G HA2 -0.105 3.852 3.960 -0.006 0.000 0.183 389 G HA3 -0.105 3.852 3.960 -0.006 0.000 0.183 389 G C -0.297 174.655 174.900 0.086 0.000 1.004 389 G CA -0.259 44.817 45.100 -0.040 0.000 0.677 389 G HN 0.476 nan 8.290 nan 0.000 0.512 390 Y N -2.536 117.796 120.300 0.053 0.000 2.765 390 Y HA 0.700 5.246 4.550 -0.006 0.000 0.350 390 Y C -0.245 175.692 175.900 0.062 0.000 1.196 390 Y CA -0.882 57.256 58.100 0.063 0.000 1.119 390 Y CB 0.184 38.686 38.460 0.070 0.000 1.368 390 Y HN 0.838 nan 8.280 nan 0.000 0.463 391 T N -1.032 113.703 114.554 0.302 0.000 2.949 391 T HA 0.521 4.867 4.350 -0.006 0.000 0.287 391 T C 0.512 175.361 174.700 0.248 0.000 1.034 391 T CA -0.967 61.250 62.100 0.195 0.000 1.018 391 T CB 1.382 70.367 68.868 0.195 0.000 1.135 391 T HN 0.846 nan 8.240 nan 0.000 0.532 392 L N -0.284 120.957 121.223 0.029 0.000 2.362 392 L HA 0.006 4.343 4.340 -0.006 0.000 0.219 392 L C 2.088 178.886 176.870 -0.119 0.000 1.134 392 L CA 0.953 55.735 54.840 -0.097 0.000 0.807 392 L CB -0.674 41.179 42.059 -0.343 0.000 0.927 392 L HN 0.677 nan 8.230 nan 0.000 0.447 393 Y N 0.288 120.584 120.300 -0.007 0.000 2.200 393 Y HA -0.215 4.332 4.550 -0.006 0.000 0.290 393 Y C 2.487 178.389 175.900 0.004 0.000 1.137 393 Y CA 1.033 59.128 58.100 -0.008 0.000 1.163 393 Y CB -0.405 38.058 38.460 0.005 0.000 0.988 393 Y HN 0.215 nan 8.280 nan 0.000 0.518 394 D N -0.264 120.259 120.400 0.205 0.000 2.117 394 D HA -0.157 4.479 4.640 -0.006 0.000 0.197 394 D C 2.212 178.530 176.300 0.029 0.000 0.987 394 D CA 1.023 55.099 54.000 0.127 0.000 0.829 394 D CB -0.496 40.406 40.800 0.170 0.000 0.961 394 D HN 0.218 nan 8.370 nan 0.000 0.460 395 L N 0.950 122.154 121.223 -0.032 0.000 2.046 395 L HA -0.121 4.216 4.340 -0.006 0.000 0.208 395 L C 2.340 179.122 176.870 -0.147 0.000 1.077 395 L CA 1.527 56.251 54.840 -0.194 0.000 0.747 395 L CB -1.007 40.878 42.059 -0.290 0.000 0.896 395 L HN -0.117 nan 8.230 nan 0.000 0.432 396 S N -0.964 114.691 115.700 -0.075 0.000 2.370 396 S HA -0.266 4.201 4.470 -0.006 0.000 0.226 396 S C 2.061 176.664 174.600 0.005 0.000 1.033 396 S CA 1.595 59.775 58.200 -0.034 0.000 1.011 396 S CB -0.325 62.877 63.200 0.004 0.000 0.852 396 S HN 0.660 nan 8.310 nan 0.000 0.457 397 E N -0.259 119.954 120.200 0.021 0.000 2.072 397 E HA -0.160 4.187 4.350 -0.006 0.000 0.191 397 E C 2.268 178.862 176.600 -0.009 0.000 0.985 397 E CA 0.754 57.166 56.400 0.020 0.000 0.801 397 E CB -0.074 29.644 29.700 0.031 0.000 0.750 397 E HN 0.188 nan 8.360 nan 0.000 0.452 398 R N 0.483 120.961 120.500 -0.036 0.000 2.091 398 R HA -0.056 4.281 4.340 -0.006 0.000 0.238 398 R C 2.345 178.620 176.300 -0.042 0.000 1.136 398 R CA 1.038 57.097 56.100 -0.069 0.000 0.959 398 R CB -0.713 29.530 30.300 -0.094 0.000 0.856 398 R HN 0.290 nan 8.270 nan 0.000 0.437 399 L N -0.395 120.815 121.223 -0.022 0.000 2.201 399 L HA -0.083 4.254 4.340 -0.006 0.000 0.212 399 L C 2.458 179.422 176.870 0.156 0.000 1.105 399 L CA 1.060 55.950 54.840 0.083 0.000 0.775 399 L CB -0.277 41.806 42.059 0.041 0.000 0.913 399 L HN 0.144 nan 8.230 nan 0.000 0.440 400 R N 0.089 120.636 120.500 0.079 0.000 2.092 400 R HA -0.110 4.227 4.340 -0.006 0.000 0.231 400 R C 2.212 178.524 176.300 0.020 0.000 1.119 400 R CA 1.107 57.243 56.100 0.060 0.000 0.970 400 R CB -0.224 30.098 30.300 0.037 0.000 0.864 400 R HN 0.339 nan 8.270 nan 0.000 0.440 401 L N 0.219 121.440 121.223 -0.004 0.000 2.353 401 L HA -0.119 4.218 4.340 -0.006 0.000 0.220 401 L C 1.820 178.672 176.870 -0.030 0.000 1.133 401 L CA 0.934 55.751 54.840 -0.039 0.000 0.798 401 L CB -0.095 41.911 42.059 -0.087 0.000 0.922 401 L HN 0.080 nan 8.230 nan 0.000 0.445 402 R N -0.335 120.179 120.500 0.023 0.000 2.393 402 R HA 0.194 4.530 4.340 -0.006 0.000 0.244 402 R C 1.188 177.433 176.300 -0.091 0.000 0.920 402 R CA 0.708 56.835 56.100 0.045 0.000 1.076 402 R CB 0.733 31.162 30.300 0.215 0.000 1.119 402 R HN 0.376 nan 8.270 nan 0.000 0.524 403 G N 0.597 109.333 108.800 -0.107 0.000 2.175 403 G HA2 -0.239 3.718 3.960 -0.006 0.000 0.244 403 G HA3 -0.239 3.718 3.960 -0.006 0.000 0.244 403 G C -0.344 174.393 174.900 -0.271 0.000 0.982 403 G CA -0.102 44.858 45.100 -0.233 0.000 0.641 403 G HN 0.288 nan 8.290 nan 0.000 0.527 404 W N 0.165 121.472 121.300 0.012 0.000 2.449 404 W HA 0.696 5.352 4.660 -0.006 0.000 0.331 404 W C 0.445 176.959 176.519 -0.007 0.000 1.119 404 W CA -0.817 56.532 57.345 0.008 0.000 1.240 404 W CB 1.162 30.637 29.460 0.025 0.000 1.251 404 W HN 0.109 nan 8.180 nan 0.000 0.576 405 Q N 2.305 122.254 119.800 0.249 0.000 2.456 405 Q HA 0.437 4.774 4.340 -0.006 0.000 0.252 405 Q C -1.709 174.363 176.000 0.121 0.000 1.042 405 Q CA -0.375 55.514 55.803 0.142 0.000 0.766 405 Q CB 0.952 29.747 28.738 0.094 0.000 1.196 405 Q HN 0.366 nan 8.270 nan 0.000 0.504 406 V N 7.357 127.329 119.914 0.096 0.000 2.304 406 V HA 0.457 4.573 4.120 -0.006 0.000 0.278 406 V C -2.103 174.007 176.094 0.026 0.000 1.018 406 V CA -1.691 60.632 62.300 0.039 0.000 0.814 406 V CB 1.165 32.993 31.823 0.009 0.000 1.021 406 V HN 0.729 nan 8.190 nan 0.000 0.440 407 P HA 0.231 nan 4.420 nan 0.000 0.267 407 P C -0.577 176.715 177.300 -0.013 0.000 1.205 407 P CA 0.223 63.393 63.100 0.118 0.000 0.765 407 P CB 1.332 33.180 31.700 0.247 0.000 0.828 408 A N 4.503 127.309 122.820 -0.022 0.000 2.330 408 A HA 0.820 5.137 4.320 -0.006 0.000 0.313 408 A C -0.682 176.824 177.584 -0.130 0.000 1.124 408 A CA -0.499 51.354 52.037 -0.307 0.000 0.774 408 A CB 0.517 19.307 19.000 -0.351 0.000 1.198 408 A HN 0.554 nan 8.150 nan 0.000 0.465 409 F N -0.489 119.324 119.950 -0.229 0.000 2.779 409 F HA 0.798 5.321 4.527 -0.005 0.000 0.316 409 F C -0.099 175.613 175.800 -0.147 0.000 1.164 409 F CA -0.560 57.378 58.000 -0.104 0.000 0.924 409 F CB 0.883 39.843 39.000 -0.066 0.000 1.348 409 F HN 0.518 nan 8.300 nan 0.000 0.467 410 T N 0.205 114.903 114.554 0.239 0.000 2.928 410 T HA 0.741 5.087 4.350 -0.006 0.000 0.284 410 T C -0.222 174.560 174.700 0.136 0.000 1.008 410 T CA -0.800 61.358 62.100 0.096 0.000 1.057 410 T CB 1.393 70.309 68.868 0.080 0.000 1.018 410 T HN 0.754 nan 8.240 nan 0.000 0.493 411 L N 0.947 122.184 121.223 0.024 0.000 2.469 411 L HA 0.637 4.974 4.340 -0.006 0.000 0.253 411 L C 1.396 178.222 176.870 -0.073 0.000 1.143 411 L CA -0.960 53.865 54.840 -0.025 0.000 0.804 411 L CB 0.327 42.365 42.059 -0.035 0.000 1.214 411 L HN 0.968 nan 8.230 nan 0.000 0.476 412 G N -1.443 107.290 108.800 -0.112 0.000 2.641 412 G HA2 0.519 4.475 3.960 -0.006 0.000 0.239 412 G HA3 0.519 4.475 3.960 -0.006 0.000 0.239 412 G C 0.397 175.270 174.900 -0.044 0.000 1.402 412 G CA -0.036 45.015 45.100 -0.083 0.000 1.046 412 G HN 0.958 nan 8.290 nan 0.000 0.565 413 G N -0.290 108.497 108.800 -0.022 0.000 2.660 413 G HA2 -0.387 3.570 3.960 -0.006 0.000 0.321 413 G HA3 -0.387 3.570 3.960 -0.006 0.000 0.321 413 G C 1.166 176.057 174.900 -0.015 0.000 1.246 413 G CA 1.199 46.292 45.100 -0.012 0.000 1.000 413 G HN 0.867 nan 8.290 nan 0.000 0.550 414 E N 0.787 120.975 120.200 -0.020 0.000 2.318 414 E HA 0.379 4.726 4.350 -0.006 0.000 0.193 414 E C 2.319 178.903 176.600 -0.026 0.000 0.998 414 E CA 0.752 57.141 56.400 -0.019 0.000 0.859 414 E CB -0.204 29.485 29.700 -0.018 0.000 0.812 414 E HN 0.815 nan 8.360 nan 0.000 0.492 415 A N 0.844 123.642 122.820 -0.037 0.000 2.324 415 A HA 0.023 4.339 4.320 -0.006 0.000 0.240 415 A C 1.626 179.187 177.584 -0.038 0.000 1.347 415 A CA 0.445 52.456 52.037 -0.044 0.000 1.036 415 A CB -0.709 18.253 19.000 -0.064 0.000 0.917 415 A HN 0.200 nan 8.150 nan 0.000 0.519 416 T N -0.560 113.979 114.554 -0.026 0.000 2.915 416 T HA -0.101 4.246 4.350 -0.006 0.000 0.269 416 T C 1.253 175.949 174.700 -0.007 0.000 1.071 416 T CA 1.801 63.891 62.100 -0.016 0.000 1.132 416 T CB -0.359 68.503 68.868 -0.009 0.000 0.878 416 T HN 0.522 nan 8.240 nan 0.000 0.479 417 D N 0.493 120.885 120.400 -0.012 0.000 2.323 417 D HA 0.147 4.783 4.640 -0.006 0.000 0.209 417 D C 0.661 176.948 176.300 -0.022 0.000 0.973 417 D CA 0.212 54.208 54.000 -0.007 0.000 0.874 417 D CB 0.001 40.795 40.800 -0.009 0.000 0.930 417 D HN 0.466 nan 8.370 nan 0.000 0.521 418 I N 1.377 121.922 120.570 -0.042 0.000 2.496 418 I HA 0.018 4.184 4.170 -0.006 0.000 0.285 418 I C -0.023 176.027 176.117 -0.112 0.000 1.080 418 I CA -0.193 61.061 61.300 -0.076 0.000 1.404 418 I CB 1.280 39.230 38.000 -0.083 0.000 1.403 418 I HN -0.363 nan 8.210 nan 0.000 0.539 419 V N 7.316 127.124 119.914 -0.178 0.000 2.448 419 V HA 0.438 4.555 4.120 -0.006 0.000 0.295 419 V C 0.052 175.888 176.094 -0.430 0.000 1.025 419 V CA -0.601 61.512 62.300 -0.311 0.000 0.859 419 V CB 1.754 33.350 31.823 -0.378 0.000 0.988 419 V HN 0.573 nan 8.190 nan 0.000 0.431 420 V N 2.581 122.135 119.914 -0.599 0.000 3.046 420 V HA 0.776 4.893 4.120 -0.006 0.000 0.316 420 V C -0.546 174.989 176.094 -0.931 0.000 1.104 420 V CA -0.977 60.895 62.300 -0.713 0.000 1.006 420 V CB 2.186 33.647 31.823 -0.603 0.000 1.058 420 V HN 0.867 nan 8.190 nan 0.000 0.440 421 M N 2.913 121.938 119.600 -0.958 0.000 2.321 421 M HA 0.613 5.090 4.480 -0.006 0.000 0.315 421 M C -0.839 175.104 176.300 -0.594 0.000 1.052 421 M CA -0.610 54.188 55.300 -0.838 0.000 0.936 421 M CB 1.542 33.525 32.600 -1.028 0.000 1.639 421 M HN 0.937 nan 8.290 nan 0.000 0.433 422 R N 5.676 125.985 120.500 -0.320 0.000 2.534 422 R HA 0.645 4.982 4.340 -0.006 0.000 0.301 422 R C -2.006 174.275 176.300 -0.032 0.000 0.961 422 R CA -0.424 55.621 56.100 -0.093 0.000 0.871 422 R CB 1.328 31.670 30.300 0.069 0.000 1.170 422 R HN 0.843 nan 8.270 nan 0.000 0.446 423 I N 4.897 125.466 120.570 -0.001 0.000 2.406 423 I HA 0.326 4.493 4.170 -0.006 0.000 0.290 423 I C -0.117 175.955 176.117 -0.075 0.000 0.999 423 I CA -0.782 60.500 61.300 -0.030 0.000 1.124 423 I CB 1.962 39.981 38.000 0.032 0.000 1.289 423 I HN 0.365 nan 8.210 nan 0.000 0.441 424 M N 5.215 124.718 119.600 -0.162 0.000 2.238 424 M HA 0.336 4.813 4.480 -0.006 0.000 0.350 424 M C -1.065 175.150 176.300 -0.141 0.000 1.138 424 M CA -0.408 54.769 55.300 -0.205 0.000 1.040 424 M CB 1.420 33.782 32.600 -0.397 0.000 1.639 424 M HN 0.555 nan 8.290 nan 0.000 0.451 425 C N 5.213 124.511 119.300 -0.002 0.000 2.258 425 C HA 0.566 5.022 4.460 -0.006 0.000 0.321 425 C C 0.517 175.599 174.990 0.154 0.000 1.168 425 C CA -0.913 58.195 59.018 0.149 0.000 1.531 425 C CB -0.462 27.412 27.740 0.223 0.000 2.095 425 C HN 0.852 nan 8.230 nan 0.000 0.449 426 R N 1.631 122.182 120.500 0.085 0.000 2.875 426 R HA 0.660 4.997 4.340 -0.006 0.000 0.251 426 R C -0.078 176.247 176.300 0.041 0.000 1.123 426 R CA -0.888 55.223 56.100 0.018 0.000 1.064 426 R CB 1.013 31.218 30.300 -0.157 0.000 1.205 426 R HN 0.593 nan 8.270 nan 0.000 0.503 427 R N -0.266 120.224 120.500 -0.016 0.000 2.537 427 R HA 0.056 4.392 4.340 -0.006 0.000 0.281 427 R C 0.389 176.604 176.300 -0.141 0.000 0.988 427 R CA 2.058 58.097 56.100 -0.103 0.000 1.077 427 R CB -0.140 30.077 30.300 -0.138 0.000 0.932 427 R HN 0.974 nan 8.270 nan 0.000 0.409 428 G N 3.765 112.398 108.800 -0.277 0.000 2.339 428 G HA2 -0.280 3.677 3.960 -0.006 0.000 0.209 428 G HA3 -0.280 3.677 3.960 -0.006 0.000 0.209 428 G C -0.149 174.695 174.900 -0.093 0.000 1.015 428 G CA -0.015 44.921 45.100 -0.273 0.000 0.635 428 G HN 0.586 nan 8.290 nan 0.000 0.499 429 F N 4.545 124.411 119.950 -0.141 0.000 2.605 429 F HA 0.591 5.115 4.527 -0.006 0.000 0.352 429 F C 0.507 176.357 175.800 0.083 0.000 1.236 429 F CA -1.290 56.678 58.000 -0.053 0.000 1.267 429 F CB -0.032 38.969 39.000 0.003 0.000 1.632 429 F HN 0.056 nan 8.300 nan 0.000 0.639 430 E N 3.044 123.256 120.200 0.020 0.000 2.369 430 E HA 0.014 4.360 4.350 -0.006 0.000 0.255 430 E C 1.312 177.815 176.600 -0.161 0.000 1.172 430 E CA -0.357 56.032 56.400 -0.017 0.000 0.932 430 E CB 0.582 30.347 29.700 0.108 0.000 1.040 430 E HN 0.579 nan 8.360 nan 0.000 0.454 431 M N 1.312 120.810 119.600 -0.170 0.000 2.108 431 M HA -0.211 4.266 4.480 -0.006 0.000 0.257 431 M C 0.990 177.161 176.300 -0.215 0.000 1.071 431 M CA 1.748 56.910 55.300 -0.230 0.000 1.093 431 M CB -0.334 32.121 32.600 -0.241 0.000 1.345 431 M HN 0.372 nan 8.290 nan 0.000 0.403 432 D N -1.044 119.238 120.400 -0.197 0.000 2.144 432 D HA -0.147 4.489 4.640 -0.006 0.000 0.199 432 D C 1.872 178.010 176.300 -0.270 0.000 0.984 432 D CA 1.451 55.295 54.000 -0.260 0.000 0.834 432 D CB -0.327 40.255 40.800 -0.363 0.000 0.955 432 D HN 0.403 nan 8.370 nan 0.000 0.465 433 F N 1.401 121.289 119.950 -0.104 0.000 2.206 433 F HA -0.000 4.523 4.527 -0.006 0.000 0.298 433 F C 2.526 178.299 175.800 -0.045 0.000 1.090 433 F CA 0.664 58.686 58.000 0.037 0.000 1.323 433 F CB -0.531 38.530 39.000 0.101 0.000 1.028 433 F HN -0.101 nan 8.300 nan 0.000 0.492 434 A N -0.268 122.396 122.820 -0.260 0.000 1.933 434 A HA -0.216 4.101 4.320 -0.006 0.000 0.218 434 A C 2.061 179.685 177.584 0.066 0.000 1.175 434 A CA 1.844 53.789 52.037 -0.153 0.000 0.628 434 A CB -0.668 18.231 19.000 -0.169 0.000 0.814 434 A HN 0.321 nan 8.150 nan 0.000 0.444 435 E N -0.285 119.952 120.200 0.061 0.000 2.072 435 E HA -0.155 4.191 4.350 -0.006 0.000 0.191 435 E C 1.768 178.427 176.600 0.098 0.000 0.985 435 E CA 1.206 57.666 56.400 0.101 0.000 0.801 435 E CB -0.348 29.367 29.700 0.025 0.000 0.750 435 E HN 0.426 nan 8.360 nan 0.000 0.452 436 L N 0.359 121.663 121.223 0.135 0.000 2.093 436 L HA -0.060 4.276 4.340 -0.006 0.000 0.208 436 L C 2.120 179.137 176.870 0.244 0.000 1.085 436 L CA 1.501 56.483 54.840 0.238 0.000 0.755 436 L CB -0.634 41.648 42.059 0.371 0.000 0.904 436 L HN 0.327 nan 8.230 nan 0.000 0.435 437 L N -0.899 120.358 121.223 0.057 0.000 2.046 437 L HA -0.208 4.129 4.340 -0.006 0.000 0.208 437 L C 2.434 179.235 176.870 -0.115 0.000 1.077 437 L CA 1.883 56.475 54.840 -0.413 0.000 0.747 437 L CB -0.539 41.139 42.059 -0.634 0.000 0.896 437 L HN 0.372 nan 8.230 nan 0.000 0.432 438 L N -0.181 121.032 121.223 -0.017 0.000 2.083 438 L HA -0.239 4.098 4.340 -0.006 0.000 0.209 438 L C 2.571 179.487 176.870 0.077 0.000 1.083 438 L CA 1.279 56.120 54.840 0.002 0.000 0.752 438 L CB -0.365 41.674 42.059 -0.033 0.000 0.899 438 L HN 0.335 nan 8.230 nan 0.000 0.433 439 E N -0.056 120.200 120.200 0.093 0.000 2.051 439 E HA -0.225 4.121 4.350 -0.006 0.000 0.192 439 E C 1.732 178.413 176.600 0.135 0.000 0.991 439 E CA 1.350 57.817 56.400 0.111 0.000 0.799 439 E CB -0.024 29.747 29.700 0.118 0.000 0.748 439 E HN 0.465 nan 8.360 nan 0.000 0.449 440 D N -0.233 120.264 120.400 0.162 0.000 2.178 440 D HA -0.147 4.489 4.640 -0.006 0.000 0.202 440 D C 1.676 178.043 176.300 0.111 0.000 0.974 440 D CA 0.746 54.847 54.000 0.168 0.000 0.841 440 D CB -0.177 40.807 40.800 0.306 0.000 0.953 440 D HN 0.178 nan 8.370 nan 0.000 0.478 441 Y N 1.975 122.257 120.300 -0.030 0.000 2.163 441 Y HA -0.161 4.385 4.550 -0.006 0.000 0.288 441 Y C 2.128 178.024 175.900 -0.007 0.000 1.136 441 Y CA 1.479 59.554 58.100 -0.042 0.000 1.147 441 Y CB 0.060 38.478 38.460 -0.069 0.000 0.987 441 Y HN -0.169 nan 8.280 nan 0.000 0.509 442 K N -0.395 120.173 120.400 0.278 0.000 2.057 442 K HA -0.143 4.174 4.320 -0.006 0.000 0.207 442 K C 2.337 179.013 176.600 0.127 0.000 1.049 442 K CA 1.139 57.542 56.287 0.193 0.000 0.931 442 K CB -0.413 32.164 32.500 0.129 0.000 0.714 442 K HN 0.346 nan 8.250 nan 0.000 0.440 443 A N 1.209 124.094 122.820 0.109 0.000 1.908 443 A HA -0.179 4.138 4.320 -0.006 0.000 0.218 443 A C 2.212 179.847 177.584 0.085 0.000 1.181 443 A CA 1.959 54.054 52.037 0.097 0.000 0.627 443 A CB -0.560 18.492 19.000 0.086 0.000 0.818 443 A HN 0.192 nan 8.150 nan 0.000 0.445 444 S N -0.078 115.635 115.700 0.022 0.000 2.368 444 S HA -0.087 4.379 4.470 -0.006 0.000 0.225 444 S C 1.816 176.398 174.600 -0.030 0.000 1.030 444 S CA 1.422 59.598 58.200 -0.040 0.000 0.999 444 S CB -0.455 62.638 63.200 -0.179 0.000 0.844 444 S HN 0.514 nan 8.310 nan 0.000 0.459 445 L N 1.310 122.504 121.223 -0.049 0.000 2.046 445 L HA -0.118 4.218 4.340 -0.006 0.000 0.208 445 L C 2.604 179.513 176.870 0.066 0.000 1.077 445 L CA 1.278 56.094 54.840 -0.041 0.000 0.747 445 L CB -0.427 41.666 42.059 0.056 0.000 0.896 445 L HN 0.293 nan 8.230 nan 0.000 0.432 446 K N -0.526 119.937 120.400 0.106 0.000 2.057 446 K HA -0.247 4.070 4.320 -0.006 0.000 0.206 446 K C 2.279 178.978 176.600 0.165 0.000 1.050 446 K CA 1.482 57.843 56.287 0.123 0.000 0.935 446 K CB -0.203 32.371 32.500 0.124 0.000 0.715 446 K HN 0.125 nan 8.250 nan 0.000 0.439 447 Y N 1.379 121.724 120.300 0.076 0.000 2.200 447 Y HA -0.149 4.398 4.550 -0.006 0.000 0.290 447 Y C 1.837 177.847 175.900 0.183 0.000 1.137 447 Y CA 1.431 59.608 58.100 0.130 0.000 1.163 447 Y CB -0.027 38.440 38.460 0.013 0.000 0.988 447 Y HN 0.002 nan 8.280 nan 0.000 0.518 448 L N -0.572 120.782 121.223 0.218 0.000 2.083 448 L HA -0.238 4.099 4.340 -0.006 0.000 0.209 448 L C 2.658 179.610 176.870 0.136 0.000 1.083 448 L CA 1.609 56.546 54.840 0.162 0.000 0.752 448 L CB -0.764 41.342 42.059 0.079 0.000 0.899 448 L HN 0.325 nan 8.230 nan 0.000 0.433 449 S N -1.317 114.452 115.700 0.115 0.000 2.383 449 S HA -0.159 4.307 4.470 -0.006 0.000 0.227 449 S C 1.470 176.068 174.600 -0.004 0.000 1.026 449 S CA 1.118 59.365 58.200 0.079 0.000 0.981 449 S CB -0.316 62.932 63.200 0.080 0.000 0.818 449 S HN 0.392 nan 8.310 nan 0.000 0.472 450 D N 1.026 121.397 120.400 -0.049 0.000 2.355 450 D HA 0.056 4.693 4.640 -0.006 0.000 0.218 450 D C -0.230 175.709 176.300 -0.602 0.000 1.004 450 D CA 0.729 54.569 54.000 -0.266 0.000 0.880 450 D CB -0.055 40.582 40.800 -0.272 0.000 0.911 450 D HN 0.613 nan 8.370 nan 0.000 0.528 451 H N -1.131 117.821 119.070 -0.196 0.000 2.379 451 H HA 0.220 4.773 4.556 -0.006 0.000 0.229 451 H C -1.849 173.450 175.328 -0.048 0.000 1.423 451 H CA -1.370 54.580 56.048 -0.163 0.000 1.375 451 H CB 1.117 30.702 29.762 -0.294 0.000 1.592 451 H HN -0.115 nan 8.280 nan 0.000 0.507 452 P HA -0.228 nan 4.420 nan 0.000 0.217 452 P C 1.087 178.424 177.300 0.061 0.000 1.148 452 P CA 1.448 64.576 63.100 0.046 0.000 0.834 452 P CB 0.345 32.051 31.700 0.011 0.000 0.783 453 K N -0.898 119.537 120.400 0.057 0.000 2.360 453 K HA -0.066 4.250 4.320 -0.006 0.000 0.201 453 K C 1.814 178.458 176.600 0.073 0.000 1.046 453 K CA 0.749 57.071 56.287 0.057 0.000 0.945 453 K CB -0.498 32.032 32.500 0.051 0.000 0.750 453 K HN 0.245 nan 8.250 nan 0.000 0.464 454 L N 0.794 122.076 121.223 0.100 0.000 2.156 454 L HA -0.099 4.238 4.340 -0.006 0.000 0.208 454 L C 1.410 178.343 176.870 0.104 0.000 1.095 454 L CA 0.453 55.358 54.840 0.107 0.000 0.770 454 L CB -0.289 41.853 42.059 0.138 0.000 0.914 454 L HN 0.296 nan 8.230 nan 0.000 0.439 455 Q N 0.465 120.332 119.800 0.112 0.000 2.269 455 Q HA 0.015 4.352 4.340 -0.006 0.000 0.300 455 Q C 1.112 177.163 176.000 0.084 0.000 1.070 455 Q CA 0.958 56.830 55.803 0.114 0.000 0.957 455 Q CB 0.349 29.146 28.738 0.098 0.000 1.131 455 Q HN 0.433 nan 8.270 nan 0.000 0.377 456 G N 3.672 112.528 108.800 0.093 0.000 2.199 456 G HA2 -0.296 3.660 3.960 -0.006 0.000 0.254 456 G HA3 -0.296 3.660 3.960 -0.006 0.000 0.254 456 G C 0.642 175.565 174.900 0.039 0.000 0.982 456 G CA 0.422 45.562 45.100 0.067 0.000 0.632 456 G HN 0.706 nan 8.290 nan 0.000 0.529 457 I N 1.410 122.006 120.570 0.044 0.000 2.163 457 I HA 0.143 4.310 4.170 -0.006 0.000 0.240 457 I C 2.146 178.257 176.117 -0.010 0.000 1.081 457 I CA 1.079 62.391 61.300 0.019 0.000 1.353 457 I CB -0.508 37.511 38.000 0.032 0.000 1.054 457 I HN 0.417 nan 8.210 nan 0.000 0.407 458 A N 2.115 124.940 122.820 0.008 0.000 2.450 458 A HA 0.190 4.506 4.320 -0.006 0.000 0.255 458 A C 0.613 178.072 177.584 -0.209 0.000 1.096 458 A CA -0.008 52.007 52.037 -0.037 0.000 0.778 458 A CB 0.062 19.095 19.000 0.054 0.000 1.031 458 A HN 0.557 nan 8.150 nan 0.000 0.494 459 Q N 1.330 120.908 119.800 -0.369 0.000 1.986 459 Q HA 0.190 4.527 4.340 -0.006 0.000 0.225 459 Q C -0.680 174.949 176.000 -0.618 0.000 0.836 459 Q CA -0.358 55.010 55.803 -0.725 0.000 1.008 459 Q CB -0.076 28.435 28.738 -0.379 0.000 1.253 459 Q HN 0.637 nan 8.270 nan 0.000 0.415 460 Q N 1.772 121.329 119.800 -0.406 0.000 2.322 460 Q HA 0.382 4.719 4.340 -0.006 0.000 0.265 460 Q C -0.933 175.089 176.000 0.036 0.000 0.985 460 Q CA -0.162 55.554 55.803 -0.144 0.000 0.849 460 Q CB 1.179 29.888 28.738 -0.048 0.000 1.274 460 Q HN 0.151 nan 8.270 nan 0.000 0.449 461 N N 1.691 120.473 118.700 0.136 0.000 2.479 461 N HA 0.159 4.896 4.740 -0.006 0.000 0.257 461 N C -0.594 175.045 175.510 0.215 0.000 1.232 461 N CA 0.151 53.374 53.050 0.288 0.000 0.920 461 N CB 0.895 39.524 38.487 0.236 0.000 1.105 461 N HN 0.540 nan 8.380 nan 0.000 0.444 462 S N 0.608 116.458 115.700 0.250 0.000 2.693 462 S HA 0.280 4.747 4.470 -0.006 0.000 0.276 462 S C 0.009 174.723 174.600 0.190 0.000 1.192 462 S CA -0.648 57.681 58.200 0.214 0.000 0.994 462 S CB 0.529 63.859 63.200 0.217 0.000 1.012 462 S HN 0.430 nan 8.310 nan 0.000 0.550 463 F N 2.760 122.736 119.950 0.043 0.000 2.578 463 F HA 0.157 4.681 4.527 -0.006 0.000 0.381 463 F C 1.281 177.044 175.800 -0.061 0.000 1.069 463 F CA -0.022 57.981 58.000 0.005 0.000 1.231 463 F CB 0.300 39.326 39.000 0.044 0.000 1.086 463 F HN 0.635 nan 8.300 nan 0.000 0.564 464 K N 3.825 123.770 120.400 -0.758 0.000 2.440 464 K HA 0.102 4.418 4.320 -0.006 0.000 0.207 464 K C 0.922 177.048 176.600 -0.790 0.000 1.112 464 K CA -0.040 55.778 56.287 -0.783 0.000 1.036 464 K CB -0.095 31.649 32.500 -1.259 0.000 0.935 464 K HN 0.577 nan 8.250 nan 0.000 0.564 465 H N 0.971 119.465 119.070 -0.961 0.000 2.545 465 H HA 0.066 4.618 4.556 -0.006 0.000 0.282 465 H C 0.248 175.305 175.328 -0.451 0.000 1.020 465 H CA 1.326 56.992 56.048 -0.638 0.000 1.243 465 H CB 0.581 30.022 29.762 -0.534 0.000 1.377 465 H HN 0.332 nan 8.280 nan 0.000 0.581 466 T N 0.000 114.372 114.554 -0.303 0.000 3.816 466 T HA 0.000 4.347 4.350 -0.006 0.000 0.228 466 T CA 0.000 62.128 62.100 0.047 0.000 1.349 466 T CB 0.000 68.911 68.868 0.071 0.000 0.612 466 T HN 0.000 nan 8.240 nan 0.000 0.658