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 3iae_1_A DATA FIRST_RESID 2 DATA SEQUENCE AMITGGELVV RTLIKAGVEH LFGLHGSHID TIFQACLDHD VPIIDTRHEA DATA SEQUENCE AAGHAAEGYA RAGAKLGVAL VTAGGGFTNA VTPIANAWLD RTPVLFLTGS DATA SEQUENCE GALRDDETNT LQAGIDQVAM AAPITKWAHR VMATEHIPRL VMQAIRAALS DATA SEQUENCE APRGPVLLDL PWDILMNQID EDSVIIPDLV LSAHGARPDP ADLDQALALL DATA SEQUENCE RKAERPVIVL GSEASRTARK TALSAFVAAT GVPVFADYEG LSMLSGLPDA DATA SEQUENCE MRGGLVQNLY SFAKADAAPD LVLMLGARFG LNTGHGSGQL IPHSAQVIQV DATA SEQUENCE DPDACELGRL QGIALGIVAD VGGTIEALAQ ATAQDAAWPD RGDWCAKVTD DATA SEQUENCE LAQERYASIA AKSSSEHALH PFHASQVIAK HVDAGVTVVA DGALTYLWLS DATA SEQUENCE EVMSRVKPGG FLCHGYLGSM GVGFGTALGA QVADLEAGRR TILVTGDGSV DATA SEQUENCE GYSIGEFDTL VRKQLPLIVI IMNNQSWGAT LHFQQLAVGP NRVTGTRLEN DATA SEQUENCE GSYHGVAAAF GADGYHVDSV ESFSAALAQA LAHNRPACIN VAVALDPIPP DATA SEQUENCE EELI 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 2 A HA 0.000 nan 4.320 nan 0.000 0.244 2 A C 0.000 177.591 177.584 0.012 0.000 1.274 2 A CA 0.000 52.043 52.037 0.011 0.000 0.836 2 A CB 0.000 19.004 19.000 0.007 0.000 0.831 3 M N 2.261 121.867 119.600 0.010 0.000 2.157 3 M HA 0.561 5.040 4.480 -0.002 0.000 0.354 3 M C -0.360 175.949 176.300 0.016 0.000 1.170 3 M CA -0.361 54.945 55.300 0.010 0.000 1.060 3 M CB 0.400 33.002 32.600 0.004 0.000 1.615 3 M HN 0.612 nan 8.290 nan 0.000 0.460 4 I N -0.025 120.557 120.570 0.020 0.000 2.740 4 I HA 0.731 4.900 4.170 -0.002 0.000 0.303 4 I C 0.437 176.571 176.117 0.028 0.000 1.044 4 I CA -0.845 60.472 61.300 0.030 0.000 1.064 4 I CB 2.140 40.164 38.000 0.040 0.000 1.249 4 I HN 0.673 nan 8.210 nan 0.000 0.433 5 T N 0.968 115.544 114.554 0.037 0.000 2.788 5 T HA 0.315 4.664 4.350 -0.002 0.000 0.287 5 T C 1.208 175.933 174.700 0.041 0.000 1.007 5 T CA -0.042 62.081 62.100 0.039 0.000 1.005 5 T CB 1.186 70.086 68.868 0.054 0.000 1.012 5 T HN 0.907 nan 8.240 nan 0.000 0.530 6 G N -0.139 108.686 108.800 0.042 0.000 2.422 6 G HA2 0.093 4.052 3.960 -0.002 0.000 0.218 6 G HA3 0.093 4.052 3.960 -0.002 0.000 0.218 6 G C 1.539 176.472 174.900 0.054 0.000 1.140 6 G CA 0.396 45.523 45.100 0.045 0.000 0.775 6 G HN 0.993 nan 8.290 nan 0.000 0.545 7 G N 0.603 109.444 108.800 0.068 0.000 2.422 7 G HA2 -0.130 3.829 3.960 -0.002 0.000 0.218 7 G HA3 -0.130 3.829 3.960 -0.002 0.000 0.218 7 G C 1.558 176.489 174.900 0.053 0.000 1.140 7 G CA 1.228 46.370 45.100 0.070 0.000 0.775 7 G HN 0.497 nan 8.290 nan 0.000 0.545 8 E N 0.544 120.779 120.200 0.058 0.000 2.072 8 E HA -0.034 4.315 4.350 -0.002 0.000 0.191 8 E C 2.449 179.062 176.600 0.022 0.000 0.985 8 E CA 0.664 57.098 56.400 0.057 0.000 0.801 8 E CB -0.435 29.312 29.700 0.077 0.000 0.750 8 E HN 0.428 nan 8.360 nan 0.000 0.452 9 L N -0.422 120.817 121.223 0.026 0.000 2.083 9 L HA -0.176 4.163 4.340 -0.002 0.000 0.209 9 L C 2.407 179.280 176.870 0.005 0.000 1.083 9 L CA 0.879 55.729 54.840 0.017 0.000 0.752 9 L CB -0.454 41.623 42.059 0.032 0.000 0.899 9 L HN 0.104 nan 8.230 nan 0.000 0.433 10 V N -0.691 119.230 119.914 0.011 0.000 2.255 10 V HA -0.271 3.848 4.120 -0.002 0.000 0.247 10 V C 2.402 178.475 176.094 -0.036 0.000 1.051 10 V CA 1.795 64.097 62.300 0.003 0.000 1.018 10 V CB -0.379 31.452 31.823 0.014 0.000 0.641 10 V HN 0.194 nan 8.190 nan 0.000 0.445 11 V N -0.182 119.695 119.914 -0.062 0.000 2.343 11 V HA -0.246 3.873 4.120 -0.002 0.000 0.247 11 V C 2.576 178.549 176.094 -0.201 0.000 1.051 11 V CA 2.022 64.245 62.300 -0.129 0.000 1.036 11 V CB -0.844 30.900 31.823 -0.131 0.000 0.654 11 V HN 0.457 nan 8.190 nan 0.000 0.451 12 R N -0.201 120.178 120.500 -0.202 0.000 2.127 12 R HA -0.141 4.198 4.340 -0.002 0.000 0.238 12 R C 2.343 178.580 176.300 -0.105 0.000 1.134 12 R CA 1.902 57.886 56.100 -0.195 0.000 0.975 12 R CB -0.617 29.617 30.300 -0.110 0.000 0.865 12 R HN 0.540 nan 8.270 nan 0.000 0.447 13 T N 1.390 115.906 114.554 -0.062 0.000 2.812 13 T HA -0.013 4.336 4.350 -0.002 0.000 0.264 13 T C 1.912 176.592 174.700 -0.032 0.000 1.042 13 T CA 0.783 62.866 62.100 -0.028 0.000 1.140 13 T CB -0.074 68.795 68.868 0.001 0.000 0.870 13 T HN 0.117 nan 8.240 nan 0.000 0.445 14 L N 0.378 121.573 121.223 -0.048 0.000 2.046 14 L HA -0.043 4.296 4.340 -0.002 0.000 0.208 14 L C 2.439 179.275 176.870 -0.056 0.000 1.077 14 L CA 1.187 55.999 54.840 -0.046 0.000 0.747 14 L CB -0.652 41.370 42.059 -0.062 0.000 0.896 14 L HN 0.251 nan 8.230 nan 0.000 0.432 15 I N -0.137 120.379 120.570 -0.090 0.000 2.179 15 I HA -0.321 3.848 4.170 -0.002 0.000 0.242 15 I C 2.625 178.713 176.117 -0.048 0.000 1.088 15 I CA 1.450 62.698 61.300 -0.086 0.000 1.357 15 I CB -0.264 37.654 38.000 -0.137 0.000 1.051 15 I HN 0.185 nan 8.210 nan 0.000 0.409 16 K N 0.738 121.112 120.400 -0.043 0.000 2.209 16 K HA -0.101 4.218 4.320 -0.002 0.000 0.204 16 K C 1.999 178.592 176.600 -0.011 0.000 1.048 16 K CA 1.158 57.432 56.287 -0.022 0.000 0.940 16 K CB -0.042 32.448 32.500 -0.017 0.000 0.729 16 K HN 0.332 nan 8.250 nan 0.000 0.451 17 A N -0.274 122.539 122.820 -0.010 0.000 2.167 17 A HA 0.138 4.457 4.320 -0.002 0.000 0.214 17 A C 1.353 178.940 177.584 0.006 0.000 1.151 17 A CA 1.023 53.060 52.037 0.001 0.000 0.735 17 A CB -0.219 18.786 19.000 0.008 0.000 0.802 17 A HN 0.452 nan 8.150 nan 0.000 0.467 18 G N -1.255 107.545 108.800 -0.001 0.000 2.141 18 G HA2 -0.092 3.867 3.960 -0.002 0.000 0.231 18 G HA3 -0.092 3.867 3.960 -0.002 0.000 0.231 18 G C 0.410 175.324 174.900 0.023 0.000 0.984 18 G CA 0.396 45.501 45.100 0.009 0.000 0.660 18 G HN 1.735 nan 8.290 nan 0.000 0.525 19 V N -0.699 119.223 119.914 0.012 0.000 2.555 19 V HA 0.692 4.811 4.120 -0.002 0.000 0.286 19 V C 0.882 176.957 176.094 -0.032 0.000 1.044 19 V CA 1.041 63.355 62.300 0.022 0.000 1.026 19 V CB 1.312 33.139 31.823 0.007 0.000 0.981 19 V HN 0.379 nan 8.190 nan 0.000 0.480 20 E N 3.422 123.613 120.200 -0.016 0.000 2.490 20 E HA 0.249 4.598 4.350 -0.002 0.000 0.209 20 E C -0.668 175.619 176.600 -0.521 0.000 0.971 20 E CA 0.032 56.319 56.400 -0.189 0.000 0.988 20 E CB 0.565 30.205 29.700 -0.100 0.000 1.029 20 E HN 0.957 nan 8.360 nan 0.000 0.496 21 H N -0.701 118.232 119.070 -0.229 0.000 2.806 21 H HA 0.456 5.011 4.556 -0.002 0.000 0.367 21 H C -1.277 173.687 175.328 -0.606 0.000 1.136 21 H CA -0.619 55.129 56.048 -0.501 0.000 1.178 21 H CB 1.627 30.937 29.762 -0.754 0.000 1.718 21 H HN -0.144 nan 8.280 nan 0.000 0.540 22 L N 2.025 122.910 121.223 -0.563 0.000 2.354 22 L HA 0.542 4.881 4.340 -0.002 0.000 0.264 22 L C -1.248 175.184 176.870 -0.730 0.000 1.008 22 L CA -0.419 54.122 54.840 -0.499 0.000 0.819 22 L CB 1.312 43.175 42.059 -0.327 0.000 1.339 22 L HN 0.505 nan 8.230 nan 0.000 0.420 23 F N 0.398 120.249 119.950 -0.165 0.000 2.518 23 F HA 0.811 5.337 4.527 -0.001 0.000 0.323 23 F C 0.599 176.365 175.800 -0.057 0.000 1.129 23 F CA -0.454 57.483 58.000 -0.106 0.000 0.920 23 F CB 2.016 40.950 39.000 -0.110 0.000 1.160 23 F HN 0.483 nan 8.300 nan 0.000 0.440 24 G N 2.289 111.178 108.800 0.147 0.000 2.570 24 G HA2 0.622 4.581 3.960 -0.002 0.000 0.310 24 G HA3 0.622 4.581 3.960 -0.002 0.000 0.310 24 G C -2.658 172.372 174.900 0.216 0.000 1.266 24 G CA -0.656 44.542 45.100 0.163 0.000 0.825 24 G HN 0.440 nan 8.290 nan 0.000 0.483 25 L N 0.562 121.936 121.223 0.251 0.000 2.526 25 L HA 0.531 4.870 4.340 -0.002 0.000 0.263 25 L C -0.774 176.203 176.870 0.179 0.000 0.943 25 L CA -0.769 54.188 54.840 0.196 0.000 0.859 25 L CB 1.277 43.390 42.059 0.091 0.000 1.313 25 L HN 0.878 nan 8.230 nan 0.000 0.406 26 H N 2.621 121.653 119.070 -0.063 0.000 2.897 26 H HA 0.558 5.113 4.556 -0.002 0.000 0.347 26 H C 0.013 175.195 175.328 -0.243 0.000 1.068 26 H CA 1.365 57.148 56.048 -0.441 0.000 1.426 26 H CB 1.035 30.361 29.762 -0.727 0.000 1.410 26 H HN 0.802 nan 8.280 nan 0.000 0.597 27 G N 1.877 110.153 108.800 -0.874 0.000 2.696 27 G HA2 0.266 4.225 3.960 -0.002 0.000 0.295 27 G HA3 0.266 4.225 3.960 -0.002 0.000 0.295 27 G C 0.182 174.639 174.900 -0.739 0.000 1.398 27 G CA -0.373 44.389 45.100 -0.562 0.000 0.920 27 G HN 0.631 nan 8.290 nan 0.000 0.492 28 S N -0.074 115.387 115.700 -0.397 0.000 2.399 28 S HA -0.116 4.353 4.470 -0.002 0.000 0.231 28 S C 1.930 176.179 174.600 -0.585 0.000 1.022 28 S CA 1.424 59.435 58.200 -0.315 0.000 0.983 28 S CB -0.305 62.771 63.200 -0.206 0.000 0.803 28 S HN 0.702 nan 8.310 nan 0.000 0.480 29 H N 1.305 119.762 119.070 -1.022 0.000 2.457 29 H HA 0.013 4.568 4.556 -0.002 0.000 0.297 29 H C 1.594 176.647 175.328 -0.458 0.000 1.092 29 H CA 1.428 56.718 56.048 -1.264 0.000 1.309 29 H CB -0.204 29.063 29.762 -0.826 0.000 1.382 29 H HN 0.578 nan 8.280 nan 0.000 0.535 30 I N -2.922 117.539 120.570 -0.181 0.000 3.936 30 I HA 0.236 4.405 4.170 -0.002 0.000 0.330 30 I C 0.903 177.079 176.117 0.097 0.000 1.509 30 I CA -0.008 61.295 61.300 0.004 0.000 1.126 30 I CB 0.689 38.719 38.000 0.050 0.000 1.115 30 I HN -0.136 nan 8.210 nan 0.000 0.424 31 D N 2.277 122.689 120.400 0.021 0.000 2.178 31 D HA -0.212 4.427 4.640 -0.002 0.000 0.201 31 D C 2.299 178.754 176.300 0.259 0.000 0.980 31 D CA 2.378 56.480 54.000 0.169 0.000 0.842 31 D CB 0.249 41.157 40.800 0.180 0.000 0.948 31 D HN 0.529 nan 8.370 nan 0.000 0.472 32 T N -1.537 113.140 114.554 0.205 0.000 2.803 32 T HA -0.156 4.193 4.350 -0.002 0.000 0.269 32 T C 2.166 176.959 174.700 0.156 0.000 1.052 32 T CA 1.064 63.266 62.100 0.171 0.000 1.136 32 T CB -0.561 68.395 68.868 0.147 0.000 0.864 32 T HN 0.231 nan 8.240 nan 0.000 0.467 33 I N -0.520 120.146 120.570 0.159 0.000 2.286 33 I HA 0.042 4.211 4.170 -0.002 0.000 0.245 33 I C 2.229 178.388 176.117 0.069 0.000 1.104 33 I CA 1.031 62.382 61.300 0.085 0.000 1.397 33 I CB -0.433 37.588 38.000 0.036 0.000 1.072 33 I HN 0.089 nan 8.210 nan 0.000 0.417 34 F N 1.170 121.160 119.950 0.067 0.000 2.134 34 F HA -0.237 4.289 4.527 -0.002 0.000 0.299 34 F C 2.762 178.609 175.800 0.078 0.000 1.097 34 F CA 1.448 59.502 58.000 0.091 0.000 1.264 34 F CB -0.392 38.721 39.000 0.187 0.000 1.001 34 F HN 0.067 nan 8.300 nan 0.000 0.479 35 Q N -0.138 119.825 119.800 0.272 0.000 2.084 35 Q HA -0.118 4.221 4.340 -0.002 0.000 0.202 35 Q C 2.520 178.595 176.000 0.125 0.000 0.978 35 Q CA 1.454 57.359 55.803 0.170 0.000 0.844 35 Q CB -1.017 27.808 28.738 0.146 0.000 0.898 35 Q HN 0.438 nan 8.270 nan 0.000 0.426 36 A N 0.024 122.921 122.820 0.128 0.000 1.969 36 A HA -0.136 4.183 4.320 -0.002 0.000 0.218 36 A C 2.497 180.190 177.584 0.181 0.000 1.169 36 A CA 1.165 53.298 52.037 0.159 0.000 0.635 36 A CB -0.778 18.300 19.000 0.130 0.000 0.810 36 A HN 0.438 nan 8.150 nan 0.000 0.445 37 C N -1.002 118.340 119.300 0.069 0.000 2.440 37 C HA -0.005 4.454 4.460 -0.002 0.000 0.278 37 C C 2.502 177.512 174.990 0.033 0.000 1.295 37 C CA 0.828 59.853 59.018 0.012 0.000 1.738 37 C CB -1.356 26.314 27.740 -0.118 0.000 1.987 37 C HN 0.679 nan 8.230 nan 0.000 0.492 38 L N 0.868 122.120 121.223 0.049 0.000 2.017 38 L HA -0.170 4.169 4.340 -0.002 0.000 0.208 38 L C 2.230 179.107 176.870 0.011 0.000 1.073 38 L CA 1.935 56.797 54.840 0.037 0.000 0.745 38 L CB -0.639 41.455 42.059 0.059 0.000 0.894 38 L HN 0.326 nan 8.230 nan 0.000 0.432 39 D N -1.098 119.303 120.400 0.003 0.000 2.144 39 D HA -0.190 4.449 4.640 -0.002 0.000 0.199 39 D C 1.782 177.961 176.300 -0.201 0.000 0.984 39 D CA 1.256 55.193 54.000 -0.105 0.000 0.834 39 D CB -0.173 40.537 40.800 -0.149 0.000 0.955 39 D HN 0.483 nan 8.370 nan 0.000 0.465 40 H N 0.386 119.443 119.070 -0.022 0.000 2.529 40 H HA 0.044 4.599 4.556 -0.002 0.000 0.277 40 H C -0.168 175.132 175.328 -0.047 0.000 1.004 40 H CA 0.143 56.171 56.048 -0.032 0.000 1.167 40 H CB 0.496 30.235 29.762 -0.037 0.000 1.445 40 H HN 0.042 nan 8.280 nan 0.000 0.554 41 D N 0.801 121.218 120.400 0.029 0.000 2.772 41 D HA -0.144 4.495 4.640 -0.002 0.000 0.233 41 D C -0.316 175.957 176.300 -0.044 0.000 1.143 41 D CA 0.332 54.326 54.000 -0.011 0.000 0.700 41 D CB -1.427 39.363 40.800 -0.016 0.000 1.076 41 D HN 0.125 nan 8.370 nan 0.000 0.430 42 V N 1.056 120.940 119.914 -0.051 0.000 2.348 42 V HA 0.267 4.386 4.120 -0.002 0.000 0.270 42 V C -1.796 174.197 176.094 -0.167 0.000 1.037 42 V CA -1.307 60.914 62.300 -0.132 0.000 0.872 42 V CB 1.412 33.158 31.823 -0.128 0.000 1.002 42 V HN -0.085 nan 8.190 nan 0.000 0.464 43 P HA 0.295 nan 4.420 nan 0.000 0.271 43 P C -0.529 176.624 177.300 -0.245 0.000 1.220 43 P CA 0.104 63.097 63.100 -0.177 0.000 0.768 43 P CB 0.475 32.094 31.700 -0.135 0.000 0.848 44 I N 4.457 124.896 120.570 -0.217 0.000 2.354 44 I HA 0.227 4.396 4.170 -0.002 0.000 0.286 44 I C 0.256 176.281 176.117 -0.154 0.000 1.007 44 I CA -0.790 60.342 61.300 -0.279 0.000 1.167 44 I CB 0.937 38.688 38.000 -0.415 0.000 1.320 44 I HN 0.108 nan 8.210 nan 0.000 0.458 45 I N 6.479 126.912 120.570 -0.228 0.000 2.357 45 I HA 0.013 4.182 4.170 -0.002 0.000 0.300 45 I C 0.405 176.562 176.117 0.067 0.000 1.159 45 I CA -0.081 61.182 61.300 -0.061 0.000 1.339 45 I CB -0.773 37.203 38.000 -0.040 0.000 1.458 45 I HN 0.586 nan 8.210 nan 0.000 0.577 46 D N 5.021 125.483 120.400 0.104 0.000 2.348 46 D HA 0.161 4.800 4.640 -0.002 0.000 0.253 46 D C 0.486 176.853 176.300 0.111 0.000 1.161 46 D CA -0.291 53.802 54.000 0.155 0.000 0.876 46 D CB 1.553 42.476 40.800 0.206 0.000 1.160 46 D HN 0.473 nan 8.370 nan 0.000 0.459 47 T N 0.255 114.875 114.554 0.109 0.000 2.893 47 T HA 0.378 4.727 4.350 -0.002 0.000 0.281 47 T C 1.024 175.743 174.700 0.032 0.000 1.027 47 T CA -0.867 61.271 62.100 0.063 0.000 0.953 47 T CB 1.293 70.206 68.868 0.075 0.000 1.434 47 T HN 0.228 nan 8.240 nan 0.000 0.597 48 R N -0.220 120.280 120.500 0.000 0.000 2.397 48 R HA 0.300 4.639 4.340 -0.002 0.000 0.241 48 R C -0.027 176.299 176.300 0.043 0.000 0.914 48 R CA 0.015 56.109 56.100 -0.009 0.000 1.071 48 R CB -0.431 29.823 30.300 -0.078 0.000 1.116 48 R HN 0.728 nan 8.270 nan 0.000 0.524 49 H N -0.339 118.713 119.070 -0.029 0.000 3.029 49 H HA 0.173 4.729 4.556 -0.002 0.000 0.358 49 H C -0.059 175.267 175.328 -0.003 0.000 1.129 49 H CA -0.280 55.759 56.048 -0.015 0.000 1.230 49 H CB 1.812 31.564 29.762 -0.017 0.000 1.827 49 H HN -0.229 nan 8.280 nan 0.000 0.530 50 E N 2.783 123.113 120.200 0.217 0.000 2.153 50 E HA -0.073 4.276 4.350 -0.002 0.000 0.194 50 E C 1.924 178.616 176.600 0.153 0.000 0.988 50 E CA 1.560 58.057 56.400 0.162 0.000 0.811 50 E CB 0.172 29.915 29.700 0.072 0.000 0.746 50 E HN 0.628 nan 8.360 nan 0.000 0.466 51 A N 1.083 124.053 122.820 0.249 0.000 1.883 51 A HA -0.157 4.162 4.320 -0.002 0.000 0.217 51 A C 2.398 179.904 177.584 -0.130 0.000 1.186 51 A CA 1.944 53.916 52.037 -0.108 0.000 0.624 51 A CB -0.971 17.874 19.000 -0.258 0.000 0.822 51 A HN 0.310 nan 8.150 nan 0.000 0.444 52 A N -0.268 122.559 122.820 0.012 0.000 1.940 52 A HA 0.124 4.443 4.320 -0.002 0.000 0.219 52 A C 2.488 180.096 177.584 0.040 0.000 1.176 52 A CA 2.225 54.295 52.037 0.056 0.000 0.631 52 A CB -0.970 18.037 19.000 0.011 0.000 0.814 52 A HN 1.092 nan 8.150 nan 0.000 0.446 53 A N -0.609 122.246 122.820 0.058 0.000 1.898 53 A HA 0.172 4.491 4.320 -0.002 0.000 0.216 53 A C 2.391 179.987 177.584 0.019 0.000 1.181 53 A CA 1.823 53.910 52.037 0.082 0.000 0.620 53 A CB -1.282 17.799 19.000 0.134 0.000 0.819 53 A HN 0.692 nan 8.150 nan 0.000 0.442 54 G N -1.301 107.503 108.800 0.007 0.000 2.402 54 G HA2 -0.218 3.741 3.960 -0.002 0.000 0.216 54 G HA3 -0.218 3.741 3.960 -0.002 0.000 0.216 54 G C 1.481 176.354 174.900 -0.045 0.000 1.162 54 G CA 1.041 46.170 45.100 0.048 0.000 0.777 54 G HN 0.628 nan 8.290 nan 0.000 0.539 55 H N 0.893 119.970 119.070 0.011 0.000 2.387 55 H HA 0.057 4.612 4.556 -0.002 0.000 0.299 55 H C 2.902 178.129 175.328 -0.168 0.000 1.090 55 H CA 1.054 57.069 56.048 -0.054 0.000 1.332 55 H CB -0.555 29.173 29.762 -0.057 0.000 1.386 55 H HN 0.382 nan 8.280 nan 0.000 0.516 56 A N 1.220 123.952 122.820 -0.147 0.000 1.902 56 A HA -0.095 4.224 4.320 -0.002 0.000 0.217 56 A C 2.716 179.784 177.584 -0.860 0.000 1.181 56 A CA 1.739 53.477 52.037 -0.499 0.000 0.623 56 A CB -0.795 17.869 19.000 -0.560 0.000 0.818 56 A HN 0.431 nan 8.150 nan 0.000 0.443 57 A N -0.114 122.326 122.820 -0.633 0.000 1.902 57 A HA -0.183 4.136 4.320 -0.002 0.000 0.217 57 A C 1.908 179.382 177.584 -0.184 0.000 1.181 57 A CA 1.676 53.477 52.037 -0.393 0.000 0.623 57 A CB -0.530 18.318 19.000 -0.253 0.000 0.818 57 A HN 0.657 nan 8.150 nan 0.000 0.443 58 E N -0.663 119.458 120.200 -0.132 0.000 2.031 58 E HA -0.127 4.222 4.350 -0.002 0.000 0.193 58 E C 2.206 178.769 176.600 -0.062 0.000 0.994 58 E CA 0.872 57.248 56.400 -0.040 0.000 0.800 58 E CB -0.456 29.268 29.700 0.040 0.000 0.752 58 E HN 0.591 nan 8.360 nan 0.000 0.447 59 G N 0.570 109.306 108.800 -0.108 0.000 2.446 59 G HA2 -0.323 3.636 3.960 -0.002 0.000 0.217 59 G HA3 -0.323 3.636 3.960 -0.002 0.000 0.217 59 G C 1.422 176.276 174.900 -0.078 0.000 1.168 59 G CA 0.990 46.022 45.100 -0.114 0.000 0.771 59 G HN 0.286 nan 8.290 nan 0.000 0.551 60 Y N 1.910 122.072 120.300 -0.229 0.000 2.128 60 Y HA -0.100 4.449 4.550 -0.002 0.000 0.284 60 Y C 2.966 178.835 175.900 -0.051 0.000 1.154 60 Y CA 1.869 59.900 58.100 -0.114 0.000 1.149 60 Y CB -0.237 38.192 38.460 -0.052 0.000 0.976 60 Y HN 0.260 nan 8.280 nan 0.000 0.505 61 A N 0.358 123.213 122.820 0.058 0.000 1.898 61 A HA -0.170 4.149 4.320 -0.002 0.000 0.216 61 A C 2.236 179.779 177.584 -0.069 0.000 1.181 61 A CA 1.814 53.850 52.037 -0.001 0.000 0.620 61 A CB -0.560 18.465 19.000 0.042 0.000 0.819 61 A HN 0.544 nan 8.150 nan 0.000 0.442 62 R N -0.581 119.878 120.500 -0.069 0.000 2.062 62 R HA 0.034 4.373 4.340 -0.002 0.000 0.229 62 R C 2.476 178.719 176.300 -0.094 0.000 1.128 62 R CA 1.192 57.246 56.100 -0.077 0.000 0.960 62 R CB -0.421 29.828 30.300 -0.084 0.000 0.855 62 R HN 0.481 nan 8.270 nan 0.000 0.432 63 A N 0.436 123.187 122.820 -0.115 0.000 1.929 63 A HA -0.017 4.302 4.320 -0.002 0.000 0.216 63 A C 2.202 179.697 177.584 -0.148 0.000 1.176 63 A CA 1.561 53.528 52.037 -0.117 0.000 0.628 63 A CB -0.683 18.249 19.000 -0.113 0.000 0.816 63 A HN 0.456 nan 8.150 nan 0.000 0.444 64 G N -2.103 106.559 108.800 -0.230 0.000 2.880 64 G HA2 0.364 4.323 3.960 -0.002 0.000 0.209 64 G HA3 0.364 4.323 3.960 -0.002 0.000 0.209 64 G C 0.849 175.646 174.900 -0.171 0.000 1.157 64 G CA 0.596 45.535 45.100 -0.268 0.000 0.779 64 G HN 1.547 nan 8.290 nan 0.000 0.539 65 A N -0.121 122.624 122.820 -0.126 0.000 2.687 65 A HA -0.121 4.198 4.320 -0.002 0.000 0.299 65 A C 0.793 178.337 177.584 -0.067 0.000 1.497 65 A CA 1.774 53.764 52.037 -0.079 0.000 0.751 65 A CB -2.061 16.902 19.000 -0.062 0.000 1.048 65 A HN 0.836 nan 8.150 nan 0.000 0.464 66 K N -1.846 118.511 120.400 -0.071 0.000 2.250 66 K HA 0.857 5.176 4.320 -0.002 0.000 0.261 66 K C -0.467 176.152 176.600 0.032 0.000 1.047 66 K CA -1.103 55.169 56.287 -0.025 0.000 0.884 66 K CB 0.751 33.227 32.500 -0.040 0.000 1.476 66 K HN 0.677 nan 8.250 nan 0.000 0.445 67 L N 1.199 122.472 121.223 0.083 0.000 2.331 67 L HA 0.416 4.755 4.340 -0.002 0.000 0.278 67 L C -0.124 176.873 176.870 0.212 0.000 1.106 67 L CA 0.548 55.454 54.840 0.110 0.000 0.824 67 L CB 1.044 43.155 42.059 0.087 0.000 1.142 67 L HN 0.774 nan 8.230 nan 0.000 0.443 68 G N 4.462 113.361 108.800 0.165 0.000 2.371 68 G HA2 0.578 4.537 3.960 -0.002 0.000 0.326 68 G HA3 0.578 4.537 3.960 -0.002 0.000 0.326 68 G C -1.449 173.467 174.900 0.027 0.000 1.127 68 G CA -0.469 44.746 45.100 0.192 0.000 0.885 68 G HN 0.526 nan 8.290 nan 0.000 0.477 69 V N 1.405 121.340 119.914 0.034 0.000 2.407 69 V HA 0.663 4.782 4.120 -0.002 0.000 0.291 69 V C 0.398 176.465 176.094 -0.045 0.000 1.018 69 V CA -0.863 61.406 62.300 -0.051 0.000 0.842 69 V CB 1.008 32.804 31.823 -0.046 0.000 0.996 69 V HN 1.078 nan 8.190 nan 0.000 0.426 70 A N 5.516 128.228 122.820 -0.180 0.000 2.303 70 A HA 0.883 5.202 4.320 -0.002 0.000 0.317 70 A C -0.755 176.829 177.584 -0.000 0.000 1.149 70 A CA -0.546 51.434 52.037 -0.095 0.000 0.822 70 A CB 1.128 19.982 19.000 -0.242 0.000 1.131 70 A HN 0.820 nan 8.150 nan 0.000 0.493 71 L N 3.864 125.116 121.223 0.049 0.000 2.415 71 L HA 0.572 4.911 4.340 -0.002 0.000 0.268 71 L C -0.930 176.009 176.870 0.115 0.000 0.984 71 L CA -0.651 54.224 54.840 0.058 0.000 0.853 71 L CB 1.401 43.445 42.059 -0.025 0.000 1.215 71 L HN 0.723 nan 8.230 nan 0.000 0.419 72 V N 0.554 120.543 119.914 0.124 0.000 2.960 72 V HA 0.655 4.774 4.120 -0.002 0.000 0.315 72 V C -0.082 176.046 176.094 0.057 0.000 1.087 72 V CA -0.505 61.859 62.300 0.106 0.000 0.982 72 V CB 1.844 33.739 31.823 0.121 0.000 1.039 72 V HN 0.639 nan 8.190 nan 0.000 0.437 73 T N 1.228 115.779 114.554 -0.006 0.000 2.849 73 T HA 0.700 5.049 4.350 -0.002 0.000 0.276 73 T C 0.516 175.137 174.700 -0.132 0.000 0.971 73 T CA 0.291 62.332 62.100 -0.099 0.000 0.949 73 T CB 1.110 69.870 68.868 -0.181 0.000 1.093 73 T HN 1.679 nan 8.240 nan 0.000 0.545 74 A N 0.472 123.108 122.820 -0.307 0.000 2.507 74 A HA 0.523 4.842 4.320 -0.002 0.000 0.235 74 A C 1.476 178.916 177.584 -0.241 0.000 1.070 74 A CA 0.549 52.380 52.037 -0.344 0.000 0.768 74 A CB -1.242 17.330 19.000 -0.713 0.000 1.011 74 A HN 1.796 nan 8.150 nan 0.000 0.502 75 G N 1.529 110.253 108.800 -0.127 0.000 2.595 75 G HA2 -0.159 3.800 3.960 -0.002 0.000 0.297 75 G HA3 -0.159 3.800 3.960 -0.002 0.000 0.297 75 G C 1.542 176.444 174.900 0.004 0.000 1.181 75 G CA 1.137 46.201 45.100 -0.061 0.000 0.963 75 G HN 2.003 nan 8.290 nan 0.000 0.541 76 G N 0.918 109.691 108.800 -0.044 0.000 2.448 76 G HA2 0.254 4.214 3.960 -0.002 0.000 0.219 76 G HA3 0.254 4.214 3.960 -0.002 0.000 0.219 76 G C 1.845 176.716 174.900 -0.049 0.000 1.127 76 G CA 2.038 47.111 45.100 -0.045 0.000 0.766 76 G HN 1.719 nan 8.290 nan 0.000 0.552 77 G N 0.796 109.568 108.800 -0.046 0.000 2.459 77 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.217 77 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.217 77 G C 1.588 176.503 174.900 0.025 0.000 1.183 77 G CA 1.031 46.118 45.100 -0.022 0.000 0.776 77 G HN 0.386 nan 8.290 nan 0.000 0.552 78 F N 2.694 122.600 119.950 -0.073 0.000 2.075 78 F HA -0.140 4.386 4.527 -0.002 0.000 0.297 78 F C 3.034 178.790 175.800 -0.073 0.000 1.113 78 F CA 2.565 60.524 58.000 -0.069 0.000 1.218 78 F CB -0.775 38.173 39.000 -0.087 0.000 0.984 78 F HN 0.228 nan 8.300 nan 0.000 0.472 79 T N -1.612 112.800 114.554 -0.237 0.000 2.881 79 T HA -0.165 4.184 4.350 -0.002 0.000 0.270 79 T C 1.694 176.232 174.700 -0.269 0.000 1.068 79 T CA 1.437 63.336 62.100 -0.335 0.000 1.131 79 T CB -0.697 68.127 68.868 -0.073 0.000 0.871 79 T HN 0.261 nan 8.240 nan 0.000 0.479 80 N N 1.915 120.524 118.700 -0.151 0.000 2.459 80 N HA 0.190 4.929 4.740 -0.002 0.000 0.181 80 N C 1.663 177.128 175.510 -0.075 0.000 1.046 80 N CA 0.986 54.022 53.050 -0.023 0.000 0.904 80 N CB -0.324 38.180 38.487 0.030 0.000 0.964 80 N HN 0.678 nan 8.380 nan 0.000 0.444 81 A N -0.289 122.397 122.820 -0.224 0.000 2.308 81 A HA 0.184 4.503 4.320 -0.002 0.000 0.217 81 A C 1.996 179.317 177.584 -0.439 0.000 1.216 81 A CA -0.066 51.824 52.037 -0.245 0.000 0.864 81 A CB 0.058 18.984 19.000 -0.124 0.000 0.902 81 A HN 0.023 nan 8.150 nan 0.000 0.499 82 V N -0.290 119.335 119.914 -0.482 0.000 2.358 82 V HA -0.184 3.935 4.120 -0.002 0.000 0.246 82 V C 2.720 178.640 176.094 -0.291 0.000 1.047 82 V CA 2.566 64.579 62.300 -0.478 0.000 1.035 82 V CB -0.912 30.642 31.823 -0.449 0.000 0.658 82 V HN 0.590 nan 8.190 nan 0.000 0.452 83 T N 0.439 114.878 114.554 -0.191 0.000 2.652 83 T HA -0.124 4.225 4.350 -0.002 0.000 0.267 83 T C -0.054 174.629 174.700 -0.029 0.000 1.039 83 T CA 1.990 64.048 62.100 -0.069 0.000 1.153 83 T CB -1.305 67.572 68.868 0.015 0.000 0.863 83 T HN 0.423 nan 8.240 nan 0.000 0.428 84 P HA -0.044 nan 4.420 nan 0.000 0.216 84 P C 1.461 178.772 177.300 0.018 0.000 1.153 84 P CA 1.030 64.060 63.100 -0.117 0.000 0.858 84 P CB -0.226 31.347 31.700 -0.212 0.000 0.789 85 I N -0.721 119.635 120.570 -0.358 0.000 2.142 85 I HA -0.263 3.906 4.170 -0.002 0.000 0.240 85 I C 2.394 178.482 176.117 -0.048 0.000 1.078 85 I CA 1.641 62.669 61.300 -0.452 0.000 1.343 85 I CB -0.997 36.562 38.000 -0.736 0.000 1.046 85 I HN -0.092 nan 8.210 nan 0.000 0.405 86 A N 0.624 123.418 122.820 -0.043 0.000 1.908 86 A HA -0.272 4.047 4.320 -0.002 0.000 0.218 86 A C 2.196 179.895 177.584 0.191 0.000 1.181 86 A CA 2.144 54.236 52.037 0.092 0.000 0.627 86 A CB -1.022 18.000 19.000 0.036 0.000 0.818 86 A HN 0.535 nan 8.150 nan 0.000 0.445 87 N N 0.051 118.840 118.700 0.148 0.000 2.084 87 N HA -0.152 4.588 4.740 -0.002 0.000 0.190 87 N C 1.973 177.576 175.510 0.156 0.000 1.030 87 N CA 1.406 54.546 53.050 0.150 0.000 0.849 87 N CB -0.197 38.396 38.487 0.177 0.000 1.012 87 N HN 0.398 nan 8.380 nan 0.000 0.423 88 A N 1.338 124.284 122.820 0.209 0.000 1.972 88 A HA -0.174 4.145 4.320 -0.002 0.000 0.219 88 A C 2.005 179.733 177.584 0.240 0.000 1.169 88 A CA 0.901 53.070 52.037 0.221 0.000 0.635 88 A CB -1.214 17.986 19.000 0.333 0.000 0.810 88 A HN 0.730 nan 8.150 nan 0.000 0.446 89 W N 0.550 121.898 121.300 0.079 0.000 2.354 89 W HA -0.184 4.475 4.660 -0.002 0.000 0.315 89 W C 1.495 178.057 176.519 0.070 0.000 1.206 89 W CA 1.715 59.104 57.345 0.073 0.000 1.290 89 W CB -0.263 29.230 29.460 0.056 0.000 1.152 89 W HN 0.303 nan 8.180 nan 0.000 0.489 90 L N 0.431 121.663 121.223 0.014 0.000 2.179 90 L HA -0.147 4.192 4.340 -0.002 0.000 0.208 90 L C 1.746 178.516 176.870 -0.166 0.000 1.096 90 L CA 1.147 55.932 54.840 -0.091 0.000 0.779 90 L CB -0.791 41.341 42.059 0.122 0.000 0.922 90 L HN -0.201 nan 8.230 nan 0.000 0.443 91 D N 0.219 120.555 120.400 -0.107 0.000 2.347 91 D HA -0.006 4.633 4.640 -0.002 0.000 0.213 91 D C 0.350 176.575 176.300 -0.124 0.000 0.985 91 D CA 0.184 54.096 54.000 -0.146 0.000 0.879 91 D CB 0.111 40.862 40.800 -0.081 0.000 0.919 91 D HN 0.035 nan 8.370 nan 0.000 0.526 92 R N 0.013 120.452 120.500 -0.101 0.000 3.261 92 R HA -0.129 4.210 4.340 -0.002 0.000 0.257 92 R C -0.406 175.883 176.300 -0.018 0.000 1.014 92 R CA 0.825 56.879 56.100 -0.076 0.000 0.681 92 R CB -2.656 27.578 30.300 -0.111 0.000 1.155 92 R HN 0.286 nan 8.270 nan 0.000 0.424 93 T N -1.552 113.021 114.554 0.031 0.000 2.794 93 T HA 0.565 4.914 4.350 -0.002 0.000 0.280 93 T C -2.477 172.272 174.700 0.081 0.000 0.987 93 T CA -2.237 59.887 62.100 0.039 0.000 0.993 93 T CB 2.096 70.982 68.868 0.030 0.000 0.939 93 T HN -0.083 nan 8.240 nan 0.000 0.449 94 P HA 0.350 nan 4.420 nan 0.000 0.277 94 P C -0.920 176.417 177.300 0.062 0.000 1.354 94 P CA -0.338 62.808 63.100 0.077 0.000 0.891 94 P CB 0.473 32.206 31.700 0.054 0.000 1.058 95 V N 5.452 125.410 119.914 0.074 0.000 2.577 95 V HA 0.253 4.372 4.120 -0.002 0.000 0.303 95 V C 0.288 176.360 176.094 -0.037 0.000 1.042 95 V CA -0.826 61.436 62.300 -0.064 0.000 0.872 95 V CB 2.676 34.345 31.823 -0.256 0.000 0.998 95 V HN 0.433 nan 8.190 nan 0.000 0.423 96 L N 5.340 126.517 121.223 -0.076 0.000 2.295 96 L HA 0.485 4.824 4.340 -0.002 0.000 0.288 96 L C -1.001 175.809 176.870 -0.099 0.000 1.079 96 L CA -0.212 54.632 54.840 0.006 0.000 0.830 96 L CB 0.268 42.349 42.059 0.036 0.000 1.200 96 L HN 0.551 nan 8.230 nan 0.000 0.438 97 F N 5.635 125.631 119.950 0.077 0.000 2.404 97 F HA 0.259 4.785 4.527 -0.002 0.000 0.359 97 F C 0.284 176.118 175.800 0.057 0.000 1.134 97 F CA -0.232 57.809 58.000 0.068 0.000 1.160 97 F CB 0.542 39.587 39.000 0.075 0.000 1.186 97 F HN 0.273 nan 8.300 nan 0.000 0.526 98 L N 3.586 124.906 121.223 0.161 0.000 2.265 98 L HA 0.421 4.760 4.340 -0.002 0.000 0.288 98 L C 0.340 177.287 176.870 0.127 0.000 1.058 98 L CA -0.212 54.694 54.840 0.111 0.000 0.809 98 L CB 1.338 43.429 42.059 0.054 0.000 1.179 98 L HN 0.494 nan 8.230 nan 0.000 0.429 99 T N 2.204 116.819 114.554 0.102 0.000 2.876 99 T HA 0.629 4.978 4.350 -0.002 0.000 0.289 99 T C 0.162 174.876 174.700 0.023 0.000 1.014 99 T CA -0.395 61.757 62.100 0.087 0.000 0.986 99 T CB 1.515 70.465 68.868 0.136 0.000 1.021 99 T HN 0.679 nan 8.240 nan 0.000 0.458 100 G N 2.058 110.861 108.800 0.006 0.000 2.599 100 G HA2 0.586 4.545 3.960 -0.002 0.000 0.264 100 G HA3 0.586 4.545 3.960 -0.002 0.000 0.264 100 G C -0.390 174.472 174.900 -0.063 0.000 1.200 100 G CA -0.078 45.013 45.100 -0.014 0.000 0.896 100 G HN 1.183 nan 8.290 nan 0.000 0.536 101 S N -1.611 114.076 115.700 -0.022 0.000 2.643 101 S HA 0.692 5.161 4.470 -0.002 0.000 0.270 101 S C 0.044 174.704 174.600 0.100 0.000 1.166 101 S CA -0.296 57.875 58.200 -0.048 0.000 0.815 101 S CB 0.947 64.096 63.200 -0.085 0.000 1.139 101 S HN 1.417 nan 8.310 nan 0.000 0.472 102 G N 0.355 109.201 108.800 0.076 0.000 2.414 102 G HA2 0.487 4.446 3.960 -0.002 0.000 0.236 102 G HA3 0.487 4.446 3.960 -0.002 0.000 0.236 102 G C 0.505 175.521 174.900 0.193 0.000 1.293 102 G CA -0.125 45.091 45.100 0.193 0.000 0.869 102 G HN 1.384 nan 8.290 nan 0.000 0.556 103 A N 1.905 124.879 122.820 0.256 0.000 2.561 103 A HA 0.163 4.482 4.320 -0.002 0.000 0.234 103 A C 1.639 179.262 177.584 0.065 0.000 1.055 103 A CA -0.148 51.976 52.037 0.145 0.000 0.756 103 A CB 0.156 19.199 19.000 0.072 0.000 0.986 103 A HN 0.760 nan 8.150 nan 0.000 0.505 104 L N 1.803 123.044 121.223 0.031 0.000 2.083 104 L HA -0.086 4.253 4.340 -0.002 0.000 0.209 104 L C 2.025 178.893 176.870 -0.003 0.000 1.083 104 L CA 1.156 55.998 54.840 0.005 0.000 0.752 104 L CB -0.491 41.563 42.059 -0.008 0.000 0.899 104 L HN 0.896 nan 8.230 nan 0.000 0.433 105 R N 1.720 122.213 120.500 -0.013 0.000 2.641 105 R HA -0.055 4.284 4.340 -0.002 0.000 0.269 105 R C 0.009 176.304 176.300 -0.009 0.000 1.074 105 R CA 0.647 56.734 56.100 -0.021 0.000 1.133 105 R CB 0.156 30.431 30.300 -0.042 0.000 1.029 105 R HN 0.435 nan 8.270 nan 0.000 0.488 106 D N -0.940 119.455 120.400 -0.009 0.000 2.837 106 D HA -0.252 4.387 4.640 -0.002 0.000 0.230 106 D C -0.777 175.533 176.300 0.016 0.000 1.152 106 D CA 1.453 55.455 54.000 0.004 0.000 0.736 106 D CB -1.608 39.197 40.800 0.007 0.000 1.084 106 D HN 0.789 nan 8.370 nan 0.000 0.429 107 D N 0.392 120.797 120.400 0.008 0.000 2.443 107 D HA 0.209 4.848 4.640 -0.002 0.000 0.239 107 D C 0.568 176.869 176.300 0.003 0.000 1.136 107 D CA 0.512 54.514 54.000 0.005 0.000 0.879 107 D CB 0.514 41.311 40.800 -0.004 0.000 1.195 107 D HN 0.225 nan 8.370 nan 0.000 0.443 108 E N 1.580 121.781 120.200 0.002 0.000 2.476 108 E HA -0.188 4.161 4.350 -0.002 0.000 0.251 108 E C 0.282 176.884 176.600 0.004 0.000 1.130 108 E CA 1.154 57.555 56.400 0.000 0.000 0.736 108 E CB -2.160 27.538 29.700 -0.004 0.000 1.298 108 E HN 0.663 nan 8.360 nan 0.000 0.400 109 T N -3.400 111.161 114.554 0.011 0.000 3.129 109 T HA 0.137 4.486 4.350 -0.002 0.000 0.267 109 T C 0.596 175.306 174.700 0.017 0.000 1.018 109 T CA 0.095 62.203 62.100 0.013 0.000 0.903 109 T CB 0.178 69.055 68.868 0.016 0.000 1.067 109 T HN 0.086 nan 8.240 nan 0.000 0.549 110 N N 1.394 120.103 118.700 0.016 0.000 2.721 110 N HA -0.134 4.605 4.740 -0.002 0.000 0.249 110 N C 0.028 175.554 175.510 0.026 0.000 1.072 110 N CA 1.278 54.338 53.050 0.016 0.000 0.710 110 N CB -1.828 36.665 38.487 0.011 0.000 0.993 110 N HN 0.642 nan 8.380 nan 0.000 0.547 111 T N -0.294 114.284 114.554 0.040 0.000 2.824 111 T HA 0.442 4.791 4.350 -0.002 0.000 0.277 111 T C 0.482 175.222 174.700 0.066 0.000 0.975 111 T CA -0.728 61.409 62.100 0.062 0.000 0.966 111 T CB 0.737 69.658 68.868 0.089 0.000 1.054 111 T HN 0.211 nan 8.240 nan 0.000 0.533 112 L N 2.685 123.962 121.223 0.091 0.000 2.540 112 L HA 0.162 4.501 4.340 -0.002 0.000 0.276 112 L C 1.050 177.953 176.870 0.054 0.000 1.212 112 L CA 1.100 55.985 54.840 0.075 0.000 0.893 112 L CB -0.349 41.773 42.059 0.105 0.000 1.138 112 L HN 0.948 nan 8.230 nan 0.000 0.491 113 Q N 1.398 121.183 119.800 -0.024 0.000 2.406 113 Q HA -0.276 4.063 4.340 -0.002 0.000 0.236 113 Q C -0.030 175.913 176.000 -0.094 0.000 0.799 113 Q CA 1.062 56.797 55.803 -0.114 0.000 1.286 113 Q CB -1.654 26.901 28.738 -0.305 0.000 1.615 113 Q HN 0.887 nan 8.270 nan 0.000 0.621 114 A N -1.343 121.465 122.820 -0.020 0.000 2.373 114 A HA 0.826 5.145 4.320 -0.002 0.000 0.291 114 A C 1.217 178.792 177.584 -0.015 0.000 1.171 114 A CA 0.373 52.404 52.037 -0.010 0.000 0.922 114 A CB 1.022 20.045 19.000 0.039 0.000 1.400 114 A HN 0.776 nan 8.150 nan 0.000 0.474 115 G N -1.822 106.967 108.800 -0.019 0.000 2.175 115 G HA2 -0.108 3.851 3.960 -0.002 0.000 0.244 115 G HA3 -0.108 3.851 3.960 -0.002 0.000 0.244 115 G C -0.120 174.762 174.900 -0.030 0.000 0.982 115 G CA 0.459 45.547 45.100 -0.020 0.000 0.641 115 G HN 1.589 nan 8.290 nan 0.000 0.527 116 I N -0.394 120.149 120.570 -0.045 0.000 2.339 116 I HA 0.587 4.756 4.170 -0.002 0.000 0.290 116 I C -0.335 175.721 176.117 -0.102 0.000 0.994 116 I CA -2.344 58.926 61.300 -0.051 0.000 1.191 116 I CB 1.656 39.642 38.000 -0.024 0.000 1.343 116 I HN -0.069 nan 8.210 nan 0.000 0.458 117 D N 5.218 125.561 120.400 -0.096 0.000 2.416 117 D HA 0.090 4.729 4.640 -0.002 0.000 0.240 117 D C 0.788 176.960 176.300 -0.213 0.000 1.250 117 D CA 0.261 54.177 54.000 -0.140 0.000 0.967 117 D CB 0.710 41.452 40.800 -0.098 0.000 1.059 117 D HN 0.657 nan 8.370 nan 0.000 0.512 118 Q N 1.497 121.060 119.800 -0.394 0.000 2.172 118 Q HA -0.071 4.268 4.340 -0.002 0.000 0.200 118 Q C 2.004 177.607 176.000 -0.661 0.000 0.964 118 Q CA 0.786 56.071 55.803 -0.862 0.000 0.855 118 Q CB 0.366 28.298 28.738 -1.344 0.000 0.918 118 Q HN 0.361 nan 8.270 nan 0.000 0.444 119 V N 1.177 120.842 119.914 -0.415 0.000 2.295 119 V HA -0.279 3.840 4.120 -0.002 0.000 0.246 119 V C 2.296 178.285 176.094 -0.176 0.000 1.049 119 V CA 1.905 64.036 62.300 -0.281 0.000 1.024 119 V CB -0.931 30.738 31.823 -0.257 0.000 0.648 119 V HN 0.401 nan 8.190 nan 0.000 0.447 120 A N -0.752 121.981 122.820 -0.144 0.000 1.933 120 A HA -0.209 4.110 4.320 -0.002 0.000 0.218 120 A C 2.228 179.779 177.584 -0.056 0.000 1.175 120 A CA 2.047 54.032 52.037 -0.086 0.000 0.628 120 A CB -0.470 18.488 19.000 -0.070 0.000 0.814 120 A HN 0.506 nan 8.150 nan 0.000 0.444 121 M N -0.911 118.674 119.600 -0.025 0.000 2.229 121 M HA -0.091 4.388 4.480 -0.002 0.000 0.264 121 M C 2.254 178.590 176.300 0.061 0.000 1.063 121 M CA 1.380 56.717 55.300 0.062 0.000 1.114 121 M CB -0.202 32.531 32.600 0.221 0.000 1.387 121 M HN 0.479 nan 8.290 nan 0.000 0.420 122 A N -0.355 122.504 122.820 0.065 0.000 2.147 122 A HA 0.362 4.681 4.320 -0.002 0.000 0.211 122 A C 2.254 179.758 177.584 -0.135 0.000 1.160 122 A CA 0.833 52.870 52.037 -0.001 0.000 0.781 122 A CB -0.449 18.605 19.000 0.090 0.000 0.842 122 A HN 0.402 nan 8.150 nan 0.000 0.475 123 A N 1.351 124.098 122.820 -0.122 0.000 1.917 123 A HA -0.097 4.222 4.320 -0.002 0.000 0.219 123 A C 0.109 177.561 177.584 -0.220 0.000 1.182 123 A CA 2.059 54.013 52.037 -0.140 0.000 0.633 123 A CB -1.609 17.338 19.000 -0.087 0.000 0.819 123 A HN 0.470 nan 8.150 nan 0.000 0.448 124 P HA 0.027 nan 4.420 nan 0.000 0.233 124 P C 0.774 177.697 177.300 -0.628 0.000 1.167 124 P CA 0.754 63.682 63.100 -0.286 0.000 0.770 124 P CB -0.077 31.527 31.700 -0.159 0.000 0.837 125 I N -4.420 115.715 120.570 -0.725 0.000 3.817 125 I HA 0.352 4.521 4.170 -0.002 0.000 0.325 125 I C -0.485 175.074 176.117 -0.930 0.000 1.550 125 I CA -0.509 60.114 61.300 -1.128 0.000 1.100 125 I CB 0.136 37.850 38.000 -0.476 0.000 1.216 125 I HN -0.243 nan 8.210 nan 0.000 0.481 126 T N -3.385 110.668 114.554 -0.836 0.000 2.896 126 T HA 0.451 4.800 4.350 -0.002 0.000 0.297 126 T C 0.388 175.021 174.700 -0.111 0.000 1.108 126 T CA -0.801 61.141 62.100 -0.263 0.000 1.004 126 T CB 2.686 71.509 68.868 -0.075 0.000 1.159 126 T HN 0.079 nan 8.240 nan 0.000 0.499 127 K N -0.418 120.168 120.400 0.310 0.000 2.155 127 K HA 0.069 4.388 4.320 -0.002 0.000 0.203 127 K C -0.315 176.500 176.600 0.359 0.000 1.052 127 K CA 0.887 57.409 56.287 0.393 0.000 0.948 127 K CB 0.127 32.854 32.500 0.378 0.000 0.728 127 K HN 0.642 nan 8.250 nan 0.000 0.448 128 W N -0.179 121.171 121.300 0.084 0.000 3.544 128 W HA 0.422 5.081 4.660 -0.002 0.000 0.326 128 W C -2.106 174.452 176.519 0.066 0.000 1.137 128 W CA -1.000 56.382 57.345 0.062 0.000 1.252 128 W CB 1.078 30.576 29.460 0.063 0.000 1.302 128 W HN -0.152 nan 8.180 nan 0.000 0.467 129 A N 4.578 127.248 122.820 -0.249 0.000 2.330 129 A HA 0.748 5.068 4.320 -0.002 0.000 0.313 129 A C -1.968 175.316 177.584 -0.501 0.000 1.124 129 A CA -0.398 51.430 52.037 -0.348 0.000 0.774 129 A CB 1.262 20.153 19.000 -0.183 0.000 1.198 129 A HN 0.764 nan 8.150 nan 0.000 0.465 130 H N 0.535 119.174 119.070 -0.719 0.000 3.046 130 H HA 0.588 5.143 4.556 -0.002 0.000 0.363 130 H C -0.821 174.276 175.328 -0.385 0.000 1.203 130 H CA -0.429 55.242 56.048 -0.628 0.000 1.169 130 H CB 1.334 30.458 29.762 -1.064 0.000 1.851 130 H HN 0.734 nan 8.280 nan 0.000 0.546 131 R N 3.715 123.754 120.500 -0.769 0.000 2.338 131 R HA 0.491 4.830 4.340 -0.002 0.000 0.317 131 R C -1.083 175.006 176.300 -0.352 0.000 0.968 131 R CA -0.829 55.003 56.100 -0.446 0.000 0.849 131 R CB 0.982 31.077 30.300 -0.342 0.000 1.128 131 R HN 0.400 nan 8.270 nan 0.000 0.448 132 V N 6.494 126.351 119.914 -0.096 0.000 2.508 132 V HA 0.033 4.152 4.120 -0.002 0.000 0.281 132 V C 1.128 177.239 176.094 0.029 0.000 1.041 132 V CA 0.145 62.477 62.300 0.053 0.000 1.016 132 V CB 1.398 33.272 31.823 0.085 0.000 0.984 132 V HN 0.869 nan 8.190 nan 0.000 0.478 133 M N 3.365 123.021 119.600 0.093 0.000 2.414 133 M HA 0.385 4.864 4.480 -0.002 0.000 0.251 133 M C 0.494 176.776 176.300 -0.029 0.000 1.116 133 M CA 0.448 55.774 55.300 0.044 0.000 1.056 133 M CB 0.434 33.092 32.600 0.097 0.000 1.388 133 M HN 0.722 nan 8.290 nan 0.000 0.487 134 A N -0.466 122.293 122.820 -0.102 0.000 2.547 134 A HA 0.550 4.869 4.320 -0.002 0.000 0.297 134 A C 0.725 178.198 177.584 -0.185 0.000 1.056 134 A CA -0.459 51.414 52.037 -0.274 0.000 0.688 134 A CB 0.652 19.235 19.000 -0.694 0.000 1.282 134 A HN 0.149 nan 8.150 nan 0.000 0.400 135 T N 0.876 115.362 114.554 -0.113 0.000 2.759 135 T HA -0.122 4.227 4.350 -0.002 0.000 0.269 135 T C 1.376 176.062 174.700 -0.022 0.000 1.042 135 T CA 2.428 64.504 62.100 -0.040 0.000 1.140 135 T CB -0.135 68.717 68.868 -0.027 0.000 0.864 135 T HN 0.765 nan 8.240 nan 0.000 0.455 136 E N 0.404 120.562 120.200 -0.070 0.000 2.268 136 E HA -0.069 4.280 4.350 -0.002 0.000 0.195 136 E C 1.680 178.360 176.600 0.133 0.000 0.995 136 E CA 0.810 57.214 56.400 0.007 0.000 0.836 136 E CB -0.278 29.418 29.700 -0.007 0.000 0.763 136 E HN 0.713 nan 8.360 nan 0.000 0.491 137 H N -0.768 118.333 119.070 0.051 0.000 2.548 137 H HA 0.137 4.692 4.556 -0.002 0.000 0.268 137 H C 1.677 177.049 175.328 0.075 0.000 0.975 137 H CA -0.100 55.989 56.048 0.067 0.000 1.195 137 H CB 0.217 30.032 29.762 0.088 0.000 1.397 137 H HN 0.107 nan 8.280 nan 0.000 0.572 138 I N 1.361 122.034 120.570 0.171 0.000 2.091 138 I HA -0.225 3.944 4.170 -0.002 0.000 0.239 138 I C -0.614 175.568 176.117 0.108 0.000 1.061 138 I CA 1.351 62.725 61.300 0.124 0.000 1.317 138 I CB -0.973 37.076 38.000 0.081 0.000 1.031 138 I HN 0.212 nan 8.210 nan 0.000 0.401 139 P HA -0.193 nan 4.420 nan 0.000 0.215 139 P C 1.273 178.615 177.300 0.070 0.000 1.157 139 P CA 1.622 64.761 63.100 0.065 0.000 0.868 139 P CB -0.211 31.519 31.700 0.050 0.000 0.788 140 R N -0.935 119.612 120.500 0.077 0.000 2.115 140 R HA -0.021 4.318 4.340 -0.002 0.000 0.226 140 R C 1.741 178.089 176.300 0.080 0.000 1.100 140 R CA 1.176 57.310 56.100 0.057 0.000 0.980 140 R CB -1.417 28.903 30.300 0.033 0.000 0.875 140 R HN 0.087 nan 8.270 nan 0.000 0.445 141 L N 1.001 122.305 121.223 0.136 0.000 2.179 141 L HA 0.005 4.344 4.340 -0.002 0.000 0.208 141 L C 2.328 179.351 176.870 0.255 0.000 1.096 141 L CA 0.907 55.886 54.840 0.231 0.000 0.779 141 L CB -0.235 41.989 42.059 0.276 0.000 0.922 141 L HN 0.030 nan 8.230 nan 0.000 0.443 142 V N -1.064 118.951 119.914 0.168 0.000 2.358 142 V HA -0.305 3.814 4.120 -0.002 0.000 0.246 142 V C 2.471 178.641 176.094 0.126 0.000 1.047 142 V CA 1.638 64.022 62.300 0.141 0.000 1.035 142 V CB -0.409 31.466 31.823 0.088 0.000 0.658 142 V HN 0.371 nan 8.190 nan 0.000 0.452 143 M N -0.416 119.238 119.600 0.091 0.000 2.175 143 M HA -0.150 4.329 4.480 -0.002 0.000 0.264 143 M C 2.165 178.496 176.300 0.052 0.000 1.063 143 M CA 1.695 57.030 55.300 0.058 0.000 1.119 143 M CB -0.562 32.058 32.600 0.033 0.000 1.377 143 M HN 0.359 nan 8.290 nan 0.000 0.415 144 Q N -0.740 119.092 119.800 0.054 0.000 2.084 144 Q HA -0.161 4.178 4.340 -0.002 0.000 0.202 144 Q C 1.887 177.907 176.000 0.034 0.000 0.978 144 Q CA 1.785 57.568 55.803 -0.034 0.000 0.844 144 Q CB -0.173 28.483 28.738 -0.136 0.000 0.898 144 Q HN 0.592 nan 8.270 nan 0.000 0.426 145 A N 0.671 123.664 122.820 0.289 0.000 1.902 145 A HA -0.166 4.154 4.320 -0.002 0.000 0.217 145 A C 1.970 179.690 177.584 0.227 0.000 1.181 145 A CA 1.308 53.600 52.037 0.425 0.000 0.623 145 A CB -0.609 18.642 19.000 0.418 0.000 0.818 145 A HN 0.479 nan 8.150 nan 0.000 0.443 146 I N -0.976 119.681 120.570 0.145 0.000 2.252 146 I HA -0.246 3.923 4.170 -0.002 0.000 0.245 146 I C 2.757 178.914 176.117 0.067 0.000 1.102 146 I CA 1.171 62.528 61.300 0.096 0.000 1.385 146 I CB -0.314 37.727 38.000 0.068 0.000 1.064 146 I HN 0.284 nan 8.210 nan 0.000 0.414 147 R N 0.703 121.227 120.500 0.040 0.000 2.091 147 R HA -0.166 4.173 4.340 -0.002 0.000 0.238 147 R C 2.431 178.740 176.300 0.014 0.000 1.136 147 R CA 1.557 57.662 56.100 0.009 0.000 0.959 147 R CB -0.501 29.783 30.300 -0.027 0.000 0.856 147 R HN 0.379 nan 8.270 nan 0.000 0.437 148 A N 1.253 124.089 122.820 0.027 0.000 1.877 148 A HA -0.096 4.223 4.320 -0.002 0.000 0.216 148 A C 2.389 180.036 177.584 0.106 0.000 1.186 148 A CA 1.653 53.721 52.037 0.052 0.000 0.620 148 A CB -0.627 18.424 19.000 0.085 0.000 0.822 148 A HN 0.393 nan 8.150 nan 0.000 0.443 149 A N -0.484 122.417 122.820 0.134 0.000 1.902 149 A HA -0.004 4.315 4.320 -0.002 0.000 0.217 149 A C 2.106 179.743 177.584 0.089 0.000 1.181 149 A CA 1.478 53.597 52.037 0.136 0.000 0.623 149 A CB -0.530 18.555 19.000 0.141 0.000 0.818 149 A HN 0.460 nan 8.150 nan 0.000 0.443 150 L N -0.257 121.004 121.223 0.063 0.000 2.395 150 L HA 0.028 4.367 4.340 -0.002 0.000 0.218 150 L C 0.695 177.578 176.870 0.023 0.000 1.130 150 L CA -0.067 54.795 54.840 0.037 0.000 0.826 150 L CB -0.116 41.958 42.059 0.025 0.000 0.941 150 L HN 0.186 nan 8.230 nan 0.000 0.451 151 S N -0.156 115.559 115.700 0.026 0.000 2.632 151 S HA 0.552 5.021 4.470 -0.002 0.000 0.271 151 S C 0.231 174.842 174.600 0.017 0.000 1.260 151 S CA -0.777 57.431 58.200 0.014 0.000 1.010 151 S CB 1.608 64.812 63.200 0.007 0.000 0.965 151 S HN 0.201 nan 8.310 nan 0.000 0.534 152 A N 3.423 126.247 122.820 0.007 0.000 2.409 152 A HA 0.526 4.845 4.320 -0.002 0.000 0.262 152 A C -2.269 175.318 177.584 0.006 0.000 1.113 152 A CA -1.265 50.773 52.037 0.002 0.000 0.790 152 A CB -0.430 18.567 19.000 -0.005 0.000 1.046 152 A HN 0.515 nan 8.150 nan 0.000 0.496 153 P HA 0.357 nan 4.420 nan 0.000 0.279 153 P C -0.492 176.810 177.300 0.004 0.000 1.239 153 P CA -0.520 62.571 63.100 -0.015 0.000 0.789 153 P CB 0.727 32.400 31.700 -0.045 0.000 0.933 154 R N 0.974 121.476 120.500 0.003 0.000 2.756 154 R HA 0.561 4.900 4.340 -0.002 0.000 0.264 154 R C 1.020 177.352 176.300 0.053 0.000 1.026 154 R CA 1.123 57.242 56.100 0.031 0.000 1.121 154 R CB -0.279 30.032 30.300 0.018 0.000 0.999 154 R HN 0.854 nan 8.270 nan 0.000 0.449 155 G N 1.679 110.551 108.800 0.119 0.000 2.506 155 G HA2 0.381 4.340 3.960 -0.002 0.000 0.292 155 G HA3 0.381 4.340 3.960 -0.002 0.000 0.292 155 G C -3.044 172.020 174.900 0.274 0.000 1.425 155 G CA -1.070 44.153 45.100 0.205 0.000 0.788 155 G HN 0.422 nan 8.290 nan 0.000 0.490 156 P HA 0.520 nan 4.420 nan 0.000 0.278 156 P C -0.686 176.834 177.300 0.366 0.000 1.238 156 P CA -0.362 62.988 63.100 0.418 0.000 0.794 156 P CB 2.006 34.005 31.700 0.497 0.000 0.955 157 V N 3.724 123.859 119.914 0.368 0.000 2.656 157 V HA 0.311 4.430 4.120 -0.002 0.000 0.307 157 V C -0.077 176.179 176.094 0.270 0.000 1.051 157 V CA -0.788 61.691 62.300 0.298 0.000 0.893 157 V CB 1.981 33.996 31.823 0.321 0.000 0.999 157 V HN 0.407 nan 8.190 nan 0.000 0.426 158 L N 5.554 126.850 121.223 0.122 0.000 2.280 158 L HA 0.563 4.902 4.340 -0.002 0.000 0.287 158 L C -0.879 175.946 176.870 -0.076 0.000 1.023 158 L CA 0.029 54.913 54.840 0.073 0.000 0.819 158 L CB 1.007 43.078 42.059 0.020 0.000 1.212 158 L HN 0.554 nan 8.230 nan 0.000 0.420 159 L N 5.381 126.596 121.223 -0.014 0.000 2.298 159 L HA 0.428 4.767 4.340 -0.002 0.000 0.284 159 L C -1.008 175.829 176.870 -0.056 0.000 1.013 159 L CA -0.283 54.511 54.840 -0.076 0.000 0.824 159 L CB 1.479 43.541 42.059 0.005 0.000 1.221 159 L HN 0.655 nan 8.230 nan 0.000 0.418 160 D N 6.009 126.336 120.400 -0.122 0.000 2.274 160 D HA 0.303 4.942 4.640 -0.002 0.000 0.239 160 D C -0.918 175.341 176.300 -0.069 0.000 1.104 160 D CA -0.265 53.661 54.000 -0.122 0.000 0.840 160 D CB 1.269 41.940 40.800 -0.214 0.000 1.100 160 D HN 0.436 nan 8.370 nan 0.000 0.477 161 L N 6.050 127.260 121.223 -0.023 0.000 2.366 161 L HA 0.330 4.669 4.340 -0.002 0.000 0.266 161 L C -2.272 174.630 176.870 0.054 0.000 1.010 161 L CA -1.839 53.014 54.840 0.022 0.000 0.879 161 L CB 1.837 43.924 42.059 0.046 0.000 1.228 161 L HN 0.159 nan 8.230 nan 0.000 0.439 162 P HA -0.109 nan 4.420 nan 0.000 0.265 162 P C 0.169 177.593 177.300 0.208 0.000 1.193 162 P CA -0.103 63.062 63.100 0.110 0.000 0.765 162 P CB 0.572 32.309 31.700 0.062 0.000 0.823 163 W N 3.940 125.271 121.300 0.052 0.000 2.305 163 W HA -0.223 4.436 4.660 -0.002 0.000 0.308 163 W C 1.590 178.095 176.519 -0.023 0.000 1.226 163 W CA 1.869 59.219 57.345 0.009 0.000 1.253 163 W CB -1.027 28.396 29.460 -0.060 0.000 1.146 163 W HN 0.425 nan 8.180 nan 0.000 0.507 164 D N 0.006 120.473 120.400 0.113 0.000 2.137 164 D HA -0.230 4.409 4.640 -0.002 0.000 0.189 164 D C 2.110 178.408 176.300 -0.003 0.000 0.998 164 D CA 2.341 56.327 54.000 -0.023 0.000 0.839 164 D CB -0.475 40.322 40.800 -0.005 0.000 0.962 164 D HN 0.003 nan 8.370 nan 0.000 0.446 165 I N 0.503 121.095 120.570 0.036 0.000 2.361 165 I HA -0.192 3.977 4.170 -0.002 0.000 0.251 165 I C 2.510 178.655 176.117 0.046 0.000 1.133 165 I CA 0.679 61.995 61.300 0.026 0.000 1.413 165 I CB -0.962 37.056 38.000 0.030 0.000 1.073 165 I HN 0.151 nan 8.210 nan 0.000 0.424 166 L N -0.826 120.453 121.223 0.092 0.000 2.162 166 L HA -0.063 4.276 4.340 -0.002 0.000 0.205 166 L C 2.540 179.465 176.870 0.093 0.000 1.086 166 L CA 0.890 55.797 54.840 0.112 0.000 0.778 166 L CB -0.290 41.873 42.059 0.175 0.000 0.928 166 L HN 0.132 nan 8.230 nan 0.000 0.446 167 M N -0.752 118.887 119.600 0.065 0.000 2.419 167 M HA -0.080 4.399 4.480 -0.002 0.000 0.264 167 M C 0.582 176.867 176.300 -0.026 0.000 1.082 167 M CA 0.381 55.681 55.300 -0.001 0.000 1.119 167 M CB -0.407 32.112 32.600 -0.136 0.000 1.398 167 M HN 0.190 nan 8.290 nan 0.000 0.453 168 N N 1.853 120.537 118.700 -0.028 0.000 2.357 168 N HA -0.054 4.685 4.740 -0.002 0.000 0.257 168 N C -0.739 174.764 175.510 -0.013 0.000 1.250 168 N CA 0.625 53.656 53.050 -0.031 0.000 0.862 168 N CB 0.509 38.979 38.487 -0.030 0.000 1.066 168 N HN 0.201 nan 8.380 nan 0.000 0.468 169 Q N 2.502 122.292 119.800 -0.017 0.000 2.293 169 Q HA 0.541 4.880 4.340 -0.002 0.000 0.261 169 Q C -0.552 175.444 176.000 -0.007 0.000 0.960 169 Q CA -0.652 55.148 55.803 -0.006 0.000 0.882 169 Q CB 1.625 30.359 28.738 -0.006 0.000 1.275 169 Q HN 0.589 nan 8.270 nan 0.000 0.445 170 I N -2.347 118.224 120.570 0.001 0.000 3.042 170 I HA 0.526 4.695 4.170 -0.002 0.000 0.310 170 I C -0.738 175.383 176.117 0.007 0.000 1.117 170 I CA -1.352 59.948 61.300 0.000 0.000 1.003 170 I CB 2.001 40.000 38.000 -0.001 0.000 1.228 170 I HN 0.329 nan 8.210 nan 0.000 0.443 171 D N 2.668 123.071 120.400 0.006 0.000 2.363 171 D HA 0.005 4.644 4.640 -0.002 0.000 0.263 171 D C 1.159 177.468 176.300 0.014 0.000 1.258 171 D CA 0.132 54.138 54.000 0.009 0.000 0.907 171 D CB 0.975 41.780 40.800 0.007 0.000 1.107 171 D HN 0.741 nan 8.370 nan 0.000 0.495 172 E N 2.318 122.528 120.200 0.017 0.000 2.265 172 E HA -0.208 4.141 4.350 -0.002 0.000 0.196 172 E C 0.328 176.940 176.600 0.020 0.000 0.996 172 E CA 0.756 57.169 56.400 0.021 0.000 0.832 172 E CB 0.066 29.781 29.700 0.026 0.000 0.756 172 E HN 0.392 nan 8.360 nan 0.000 0.491 173 D N 0.988 121.398 120.400 0.017 0.000 2.347 173 D HA -0.062 4.577 4.640 -0.002 0.000 0.215 173 D C 1.857 178.166 176.300 0.016 0.000 0.976 173 D CA 1.264 55.273 54.000 0.016 0.000 0.884 173 D CB 0.272 41.079 40.800 0.013 0.000 0.915 173 D HN 0.352 nan 8.370 nan 0.000 0.526 174 S N -0.734 114.976 115.700 0.016 0.000 2.492 174 S HA 0.056 4.525 4.470 -0.002 0.000 0.218 174 S C 0.837 175.450 174.600 0.023 0.000 1.016 174 S CA -0.421 57.790 58.200 0.018 0.000 0.916 174 S CB 0.279 63.488 63.200 0.016 0.000 0.791 174 S HN 0.033 nan 8.310 nan 0.000 0.513 175 V N 3.670 123.599 119.914 0.024 0.000 2.383 175 V HA 0.629 4.748 4.120 -0.002 0.000 0.275 175 V C -0.389 175.723 176.094 0.029 0.000 1.036 175 V CA -1.387 60.931 62.300 0.031 0.000 0.889 175 V CB 0.730 32.573 31.823 0.034 0.000 0.985 175 V HN 0.511 nan 8.190 nan 0.000 0.459 176 I N 6.917 127.506 120.570 0.030 0.000 2.396 176 I HA 0.542 4.711 4.170 -0.002 0.000 0.292 176 I C -0.441 175.691 176.117 0.025 0.000 0.999 176 I CA 0.013 61.328 61.300 0.025 0.000 1.310 176 I CB 1.108 39.121 38.000 0.021 0.000 1.404 176 I HN 0.401 nan 8.210 nan 0.000 0.496 177 I N 7.464 128.045 120.570 0.019 0.000 2.297 177 I HA 0.419 4.588 4.170 -0.002 0.000 0.291 177 I C -2.151 173.973 176.117 0.012 0.000 1.033 177 I CA -1.941 59.368 61.300 0.015 0.000 1.253 177 I CB 0.209 38.213 38.000 0.008 0.000 1.396 177 I HN 0.495 nan 8.210 nan 0.000 0.476 178 P HA 0.240 nan 4.420 nan 0.000 0.276 178 P C -0.481 176.822 177.300 0.006 0.000 1.244 178 P CA -0.377 62.728 63.100 0.009 0.000 0.801 178 P CB 0.994 32.700 31.700 0.010 0.000 1.006 179 D N 0.479 120.881 120.400 0.003 0.000 2.354 179 D HA 0.130 4.769 4.640 -0.002 0.000 0.247 179 D C -0.068 176.233 176.300 0.001 0.000 1.138 179 D CA -0.143 53.858 54.000 0.002 0.000 0.958 179 D CB 0.632 41.432 40.800 0.001 0.000 1.144 179 D HN 0.176 nan 8.370 nan 0.000 0.458 180 L N 1.929 123.152 121.223 0.000 0.000 2.385 180 L HA 0.123 4.462 4.340 -0.002 0.000 0.285 180 L C -0.774 176.093 176.870 -0.005 0.000 1.125 180 L CA -0.136 54.703 54.840 -0.001 0.000 0.890 180 L CB 0.086 42.145 42.059 0.001 0.000 1.251 180 L HN 0.052 nan 8.230 nan 0.000 0.445 181 V N 6.837 126.747 119.914 -0.006 0.000 2.240 181 V HA 0.402 4.521 4.120 -0.002 0.000 0.265 181 V C -0.378 175.710 176.094 -0.010 0.000 1.073 181 V CA -0.440 61.856 62.300 -0.007 0.000 0.857 181 V CB 0.648 32.469 31.823 -0.005 0.000 1.114 181 V HN 0.607 nan 8.190 nan 0.000 0.469 182 L N 3.488 124.703 121.223 -0.013 0.000 2.516 182 L HA 0.595 4.934 4.340 -0.002 0.000 0.267 182 L C 0.051 176.907 176.870 -0.024 0.000 0.957 182 L CA 0.078 54.909 54.840 -0.016 0.000 0.860 182 L CB 2.254 44.303 42.059 -0.017 0.000 1.265 182 L HN 0.420 nan 8.230 nan 0.000 0.403 183 S N 3.346 119.038 115.700 -0.014 0.000 2.546 183 S HA 0.366 4.835 4.470 -0.002 0.000 0.290 183 S C 1.404 175.951 174.600 -0.088 0.000 1.290 183 S CA 0.367 58.555 58.200 -0.020 0.000 1.069 183 S CB 0.947 64.177 63.200 0.050 0.000 0.846 183 S HN 0.968 nan 8.310 nan 0.000 0.495 184 A N 4.860 127.540 122.820 -0.234 0.000 2.119 184 A HA 0.102 4.421 4.320 -0.002 0.000 0.216 184 A C 0.681 178.076 177.584 -0.316 0.000 1.152 184 A CA 0.451 52.309 52.037 -0.298 0.000 0.708 184 A CB -0.355 18.426 19.000 -0.366 0.000 0.805 184 A HN 0.940 nan 8.150 nan 0.000 0.460 185 H N 0.452 119.516 119.070 -0.009 0.000 2.705 185 H HA 0.404 4.959 4.556 -0.002 0.000 0.291 185 H C 0.784 176.104 175.328 -0.013 0.000 1.085 185 H CA -0.154 55.886 56.048 -0.012 0.000 1.357 185 H CB 0.406 30.161 29.762 -0.011 0.000 1.419 185 H HN 0.246 nan 8.280 nan 0.000 0.462 186 G N 1.667 110.510 108.800 0.071 0.000 2.636 186 G HA2 0.326 4.285 3.960 -0.002 0.000 0.246 186 G HA3 0.326 4.285 3.960 -0.002 0.000 0.246 186 G C 0.106 175.028 174.900 0.036 0.000 1.216 186 G CA -0.292 44.829 45.100 0.035 0.000 0.854 186 G HN 0.800 nan 8.290 nan 0.000 0.572 187 A N 0.495 123.326 122.820 0.019 0.000 2.498 187 A HA 0.531 4.851 4.320 -0.002 0.000 0.239 187 A C 0.911 178.496 177.584 0.001 0.000 1.068 187 A CA -0.059 51.984 52.037 0.010 0.000 0.766 187 A CB 0.109 19.112 19.000 0.005 0.000 1.003 187 A HN 0.933 nan 8.150 nan 0.000 0.497 188 R N 1.927 122.425 120.500 -0.004 0.000 2.787 188 R HA 0.720 5.059 4.340 -0.002 0.000 0.271 188 R C -2.975 173.317 176.300 -0.014 0.000 0.993 188 R CA -1.848 54.243 56.100 -0.015 0.000 0.993 188 R CB 0.111 30.398 30.300 -0.021 0.000 1.155 188 R HN 0.379 nan 8.270 nan 0.000 0.486 189 P HA -0.043 nan 4.420 nan 0.000 0.269 189 P C -0.830 176.466 177.300 -0.007 0.000 1.215 189 P CA -0.157 62.936 63.100 -0.012 0.000 0.780 189 P CB 0.429 32.120 31.700 -0.016 0.000 0.898 190 D N 2.583 122.982 120.400 -0.002 0.000 2.488 190 D HA -0.047 4.592 4.640 -0.002 0.000 0.238 190 D C -1.371 174.930 176.300 0.003 0.000 1.138 190 D CA -1.124 52.877 54.000 0.001 0.000 0.873 190 D CB 0.640 41.442 40.800 0.003 0.000 1.183 190 D HN 0.116 nan 8.370 nan 0.000 0.458 191 P HA -0.174 nan 4.420 nan 0.000 0.217 191 P C 0.898 178.206 177.300 0.014 0.000 1.151 191 P CA 1.814 64.919 63.100 0.009 0.000 0.849 191 P CB 0.099 31.804 31.700 0.008 0.000 0.787 192 A N -0.301 122.526 122.820 0.012 0.000 1.902 192 A HA -0.210 4.109 4.320 -0.002 0.000 0.217 192 A C 1.993 179.588 177.584 0.018 0.000 1.181 192 A CA 2.017 54.062 52.037 0.014 0.000 0.623 192 A CB -1.285 17.721 19.000 0.010 0.000 0.818 192 A HN 0.098 nan 8.150 nan 0.000 0.443 193 D N -0.527 119.883 120.400 0.016 0.000 2.144 193 D HA -0.091 4.548 4.640 -0.002 0.000 0.200 193 D C 1.814 178.128 176.300 0.024 0.000 0.978 193 D CA 0.938 54.949 54.000 0.019 0.000 0.833 193 D CB -0.336 40.472 40.800 0.013 0.000 0.961 193 D HN 0.332 nan 8.370 nan 0.000 0.470 194 L N 0.952 122.187 121.223 0.020 0.000 2.093 194 L HA -0.134 4.205 4.340 -0.002 0.000 0.208 194 L C 1.479 178.384 176.870 0.057 0.000 1.085 194 L CA 1.583 56.439 54.840 0.027 0.000 0.755 194 L CB -0.190 41.877 42.059 0.013 0.000 0.904 194 L HN -0.170 nan 8.230 nan 0.000 0.435 195 D N -1.148 119.282 120.400 0.049 0.000 2.097 195 D HA -0.232 4.407 4.640 -0.002 0.000 0.197 195 D C 2.074 178.408 176.300 0.058 0.000 0.984 195 D CA 1.261 55.294 54.000 0.055 0.000 0.826 195 D CB -0.092 40.727 40.800 0.033 0.000 0.973 195 D HN 0.366 nan 8.370 nan 0.000 0.460 196 Q N 0.782 120.609 119.800 0.045 0.000 2.135 196 Q HA -0.104 4.235 4.340 -0.002 0.000 0.204 196 Q C 1.851 177.890 176.000 0.065 0.000 0.981 196 Q CA 2.058 57.888 55.803 0.045 0.000 0.856 196 Q CB -0.332 28.426 28.738 0.034 0.000 0.902 196 Q HN 0.190 nan 8.270 nan 0.000 0.425 197 A N 0.147 123.012 122.820 0.075 0.000 1.873 197 A HA -0.095 4.224 4.320 -0.002 0.000 0.215 197 A C 2.084 179.765 177.584 0.162 0.000 1.186 197 A CA 1.413 53.509 52.037 0.098 0.000 0.616 197 A CB -0.703 18.342 19.000 0.074 0.000 0.823 197 A HN 0.460 nan 8.150 nan 0.000 0.442 198 L N -0.909 120.433 121.223 0.199 0.000 2.217 198 L HA -0.102 4.237 4.340 -0.002 0.000 0.211 198 L C 2.965 179.988 176.870 0.256 0.000 1.107 198 L CA 0.753 55.803 54.840 0.350 0.000 0.783 198 L CB -0.387 41.906 42.059 0.391 0.000 0.919 198 L HN 0.439 nan 8.230 nan 0.000 0.442 199 A N 0.037 122.930 122.820 0.122 0.000 1.929 199 A HA -0.089 4.230 4.320 -0.002 0.000 0.216 199 A C 2.214 179.837 177.584 0.065 0.000 1.176 199 A CA 1.079 53.145 52.037 0.047 0.000 0.628 199 A CB -0.457 18.556 19.000 0.021 0.000 0.816 199 A HN 0.332 nan 8.150 nan 0.000 0.444 200 L N -1.165 120.112 121.223 0.091 0.000 2.109 200 L HA -0.099 4.240 4.340 -0.002 0.000 0.207 200 L C 2.439 179.380 176.870 0.119 0.000 1.086 200 L CA 0.803 55.693 54.840 0.084 0.000 0.760 200 L CB -0.346 41.759 42.059 0.076 0.000 0.910 200 L HN 0.417 nan 8.230 nan 0.000 0.437 201 L N -0.351 120.990 121.223 0.196 0.000 2.201 201 L HA -0.141 4.198 4.340 -0.002 0.000 0.212 201 L C 2.639 179.717 176.870 0.346 0.000 1.105 201 L CA 1.472 56.471 54.840 0.265 0.000 0.775 201 L CB -0.405 41.857 42.059 0.339 0.000 0.913 201 L HN 0.091 nan 8.230 nan 0.000 0.440 202 R N -0.056 120.628 120.500 0.306 0.000 2.093 202 R HA -0.128 4.211 4.340 -0.002 0.000 0.224 202 R C 2.047 178.392 176.300 0.075 0.000 1.101 202 R CA 1.433 57.630 56.100 0.162 0.000 0.979 202 R CB 0.005 30.188 30.300 -0.195 0.000 0.877 202 R HN 0.473 nan 8.270 nan 0.000 0.441 203 K N -0.518 119.909 120.400 0.046 0.000 2.393 203 K HA 0.231 4.550 4.320 -0.002 0.000 0.193 203 K C 0.098 176.706 176.600 0.012 0.000 1.026 203 K CA 0.293 56.589 56.287 0.015 0.000 1.064 203 K CB 0.500 33.000 32.500 -0.001 0.000 0.833 203 K HN 0.009 nan 8.250 nan 0.000 0.521 204 A N 1.848 124.686 122.820 0.030 0.000 2.462 204 A HA 0.060 4.379 4.320 -0.002 0.000 0.243 204 A C 0.485 178.034 177.584 -0.059 0.000 1.076 204 A CA -0.333 51.697 52.037 -0.011 0.000 0.773 204 A CB 0.382 19.387 19.000 0.008 0.000 1.010 204 A HN 0.441 nan 8.150 nan 0.000 0.493 205 E N 1.043 121.165 120.200 -0.129 0.000 2.140 205 E HA -0.018 4.331 4.350 -0.002 0.000 0.191 205 E C 0.135 176.475 176.600 -0.433 0.000 0.973 205 E CA 0.689 56.971 56.400 -0.196 0.000 0.829 205 E CB 0.163 29.759 29.700 -0.173 0.000 0.781 205 E HN 0.665 nan 8.360 nan 0.000 0.466 206 R N 1.223 121.376 120.500 -0.579 0.000 2.681 206 R HA 0.230 4.569 4.340 -0.002 0.000 0.277 206 R C -2.644 173.355 176.300 -0.503 0.000 1.563 206 R CA -1.417 53.940 56.100 -1.237 0.000 1.673 206 R CB 1.349 30.718 30.300 -1.553 0.000 1.258 206 R HN 0.043 nan 8.270 nan 0.000 0.650 207 P HA 0.222 nan 4.420 nan 0.000 0.282 207 P C -0.439 177.071 177.300 0.350 0.000 1.249 207 P CA -0.339 62.827 63.100 0.110 0.000 0.806 207 P CB 1.908 33.670 31.700 0.104 0.000 0.984 208 V N 4.097 124.159 119.914 0.247 0.000 2.808 208 V HA 0.367 4.486 4.120 -0.002 0.000 0.308 208 V C 0.108 176.301 176.094 0.165 0.000 1.099 208 V CA -0.644 61.814 62.300 0.263 0.000 0.920 208 V CB 2.123 34.062 31.823 0.193 0.000 1.014 208 V HN 0.379 nan 8.190 nan 0.000 0.425 209 I N 4.492 125.171 120.570 0.182 0.000 2.359 209 I HA 0.522 4.691 4.170 -0.002 0.000 0.294 209 I C -0.614 175.581 176.117 0.129 0.000 0.987 209 I CA -0.751 60.630 61.300 0.136 0.000 1.225 209 I CB 1.833 39.919 38.000 0.143 0.000 1.366 209 I HN 0.239 nan 8.210 nan 0.000 0.466 210 V N 7.402 127.351 119.914 0.059 0.000 2.378 210 V HA 0.399 4.518 4.120 -0.002 0.000 0.288 210 V C -0.013 176.078 176.094 -0.005 0.000 1.016 210 V CA -0.561 61.755 62.300 0.027 0.000 0.840 210 V CB 1.474 33.263 31.823 -0.056 0.000 0.994 210 V HN 0.478 nan 8.190 nan 0.000 0.431 211 L N 4.341 125.567 121.223 0.006 0.000 2.307 211 L HA 0.789 5.128 4.340 -0.002 0.000 0.282 211 L C 0.948 177.797 176.870 -0.036 0.000 1.051 211 L CA -0.029 54.803 54.840 -0.013 0.000 0.804 211 L CB 1.397 43.455 42.059 -0.001 0.000 1.197 211 L HN 0.745 nan 8.230 nan 0.000 0.431 212 G N -0.038 108.733 108.800 -0.049 0.000 2.938 212 G HA2 0.327 4.286 3.960 -0.002 0.000 0.258 212 G HA3 0.327 4.286 3.960 -0.002 0.000 0.258 212 G C 0.806 175.673 174.900 -0.056 0.000 1.356 212 G CA 0.241 45.302 45.100 -0.065 0.000 1.052 212 G HN 0.644 nan 8.290 nan 0.000 0.550 213 S N -0.806 114.850 115.700 -0.073 0.000 2.382 213 S HA -0.116 4.353 4.470 -0.002 0.000 0.228 213 S C 1.639 176.207 174.600 -0.053 0.000 1.027 213 S CA 1.727 59.886 58.200 -0.067 0.000 0.991 213 S CB -0.225 62.917 63.200 -0.096 0.000 0.823 213 S HN 0.498 nan 8.310 nan 0.000 0.469 214 E N 1.835 122.003 120.200 -0.053 0.000 2.204 214 E HA 0.017 4.366 4.350 -0.002 0.000 0.195 214 E C 2.300 178.879 176.600 -0.035 0.000 0.990 214 E CA 1.037 57.412 56.400 -0.042 0.000 0.821 214 E CB -0.601 29.075 29.700 -0.040 0.000 0.750 214 E HN 0.728 nan 8.360 nan 0.000 0.477 215 A N 0.552 123.352 122.820 -0.034 0.000 1.969 215 A HA -0.088 4.231 4.320 -0.002 0.000 0.218 215 A C 2.446 180.016 177.584 -0.024 0.000 1.169 215 A CA 1.385 53.406 52.037 -0.027 0.000 0.635 215 A CB -0.196 18.791 19.000 -0.023 0.000 0.810 215 A HN 0.119 nan 8.150 nan 0.000 0.445 216 S N -0.800 114.884 115.700 -0.026 0.000 2.395 216 S HA -0.044 4.425 4.470 -0.002 0.000 0.225 216 S C 2.147 176.729 174.600 -0.030 0.000 1.027 216 S CA 0.484 58.669 58.200 -0.025 0.000 0.965 216 S CB -0.190 62.996 63.200 -0.023 0.000 0.812 216 S HN 0.505 nan 8.310 nan 0.000 0.482 217 R N 1.339 121.820 120.500 -0.032 0.000 2.081 217 R HA -0.047 4.292 4.340 -0.002 0.000 0.235 217 R C 2.501 178.783 176.300 -0.029 0.000 1.131 217 R CA 1.884 57.966 56.100 -0.030 0.000 0.960 217 R CB -1.729 28.556 30.300 -0.026 0.000 0.856 217 R HN 0.629 nan 8.270 nan 0.000 0.436 218 T N -2.056 112.482 114.554 -0.027 0.000 3.009 218 T HA 0.283 4.632 4.350 -0.002 0.000 0.258 218 T C 1.087 175.772 174.700 -0.024 0.000 1.063 218 T CA 0.563 62.647 62.100 -0.026 0.000 1.139 218 T CB -0.010 68.845 68.868 -0.022 0.000 0.890 218 T HN 0.304 nan 8.240 nan 0.000 0.471 219 A N 1.961 124.768 122.820 -0.023 0.000 2.560 219 A HA -0.153 4.166 4.320 -0.002 0.000 0.299 219 A C 0.493 178.068 177.584 -0.014 0.000 1.484 219 A CA 0.235 52.259 52.037 -0.020 0.000 0.749 219 A CB -1.748 17.236 19.000 -0.025 0.000 1.072 219 A HN 0.433 nan 8.150 nan 0.000 0.426 220 R N 0.143 120.637 120.500 -0.010 0.000 3.268 220 R HA 0.183 4.522 4.340 -0.002 0.000 0.217 220 R C 1.123 177.423 176.300 -0.000 0.000 1.568 220 R CA 0.282 56.381 56.100 -0.003 0.000 1.322 220 R CB -0.114 30.184 30.300 -0.002 0.000 1.280 220 R HN 0.756 nan 8.270 nan 0.000 0.667 221 K N -0.048 120.351 120.400 -0.002 0.000 2.062 221 K HA -0.090 4.230 4.320 -0.002 0.000 0.205 221 K C 1.787 178.389 176.600 0.004 0.000 1.051 221 K CA 1.836 58.122 56.287 -0.002 0.000 0.941 221 K CB 0.130 32.626 32.500 -0.008 0.000 0.719 221 K HN 0.424 nan 8.250 nan 0.000 0.440 222 T N -0.624 113.934 114.554 0.005 0.000 2.867 222 T HA -0.025 4.324 4.350 -0.002 0.000 0.268 222 T C 2.131 176.842 174.700 0.018 0.000 1.057 222 T CA 0.967 63.072 62.100 0.009 0.000 1.136 222 T CB -0.205 68.668 68.868 0.009 0.000 0.874 222 T HN 0.145 nan 8.240 nan 0.000 0.466 223 A N 1.277 124.110 122.820 0.020 0.000 1.929 223 A HA 0.241 4.560 4.320 -0.002 0.000 0.216 223 A C 2.272 179.889 177.584 0.055 0.000 1.176 223 A CA 1.180 53.234 52.037 0.028 0.000 0.628 223 A CB -0.807 18.199 19.000 0.011 0.000 0.816 223 A HN 0.443 nan 8.150 nan 0.000 0.444 224 L N 0.010 121.261 121.223 0.047 0.000 2.017 224 L HA -0.107 4.233 4.340 -0.002 0.000 0.208 224 L C 2.525 179.444 176.870 0.081 0.000 1.073 224 L CA 2.576 57.464 54.840 0.080 0.000 0.745 224 L CB -0.675 41.410 42.059 0.044 0.000 0.894 224 L HN 0.283 nan 8.230 nan 0.000 0.432 225 S N -0.202 115.517 115.700 0.032 0.000 2.370 225 S HA -0.185 4.285 4.470 -0.002 0.000 0.226 225 S C 2.086 176.686 174.600 0.000 0.000 1.033 225 S CA 1.161 59.362 58.200 0.002 0.000 1.011 225 S CB -0.654 62.541 63.200 -0.008 0.000 0.852 225 S HN 0.675 nan 8.310 nan 0.000 0.457 226 A N 0.660 123.498 122.820 0.029 0.000 1.902 226 A HA -0.069 4.250 4.320 -0.002 0.000 0.217 226 A C 1.919 179.529 177.584 0.044 0.000 1.181 226 A CA 1.385 53.441 52.037 0.031 0.000 0.623 226 A CB -0.804 18.224 19.000 0.047 0.000 0.818 226 A HN 0.568 nan 8.150 nan 0.000 0.443 227 F N 0.242 120.143 119.950 -0.082 0.000 2.206 227 F HA -0.100 4.426 4.527 -0.002 0.000 0.298 227 F C 2.079 177.772 175.800 -0.178 0.000 1.090 227 F CA 1.649 59.572 58.000 -0.128 0.000 1.323 227 F CB 0.086 39.024 39.000 -0.103 0.000 1.028 227 F HN 0.033 nan 8.300 nan 0.000 0.492 228 V N 0.481 120.235 119.914 -0.268 0.000 2.453 228 V HA -0.218 3.901 4.120 -0.002 0.000 0.247 228 V C 2.667 178.584 176.094 -0.296 0.000 1.048 228 V CA 1.592 63.680 62.300 -0.353 0.000 1.049 228 V CB -1.214 30.514 31.823 -0.159 0.000 0.672 228 V HN 0.465 nan 8.190 nan 0.000 0.457 229 A N -0.136 122.570 122.820 -0.189 0.000 1.969 229 A HA 0.029 4.348 4.320 -0.002 0.000 0.218 229 A C 2.333 179.818 177.584 -0.165 0.000 1.169 229 A CA 1.749 53.702 52.037 -0.140 0.000 0.635 229 A CB -0.478 18.475 19.000 -0.078 0.000 0.810 229 A HN 0.535 nan 8.150 nan 0.000 0.445 230 A N -0.544 122.136 122.820 -0.233 0.000 1.930 230 A HA 0.036 4.355 4.320 -0.002 0.000 0.215 230 A C 2.341 179.625 177.584 -0.501 0.000 1.176 230 A CA 2.125 54.012 52.037 -0.249 0.000 0.632 230 A CB -0.777 18.111 19.000 -0.185 0.000 0.819 230 A HN 0.655 nan 8.150 nan 0.000 0.445 231 T N -4.878 109.213 114.554 -0.771 0.000 3.039 231 T HA 0.388 4.737 4.350 -0.002 0.000 0.250 231 T C 1.452 175.900 174.700 -0.420 0.000 1.052 231 T CA 1.169 62.690 62.100 -0.964 0.000 1.125 231 T CB -0.233 67.800 68.868 -1.392 0.000 0.908 231 T HN 1.677 nan 8.240 nan 0.000 0.473 232 G N 1.199 109.797 108.800 -0.337 0.000 2.198 232 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.257 232 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.257 232 G C -0.075 174.763 174.900 -0.103 0.000 1.042 232 G CA 0.006 45.009 45.100 -0.162 0.000 0.791 232 G HN 0.755 nan 8.290 nan 0.000 0.502 233 V N 1.110 120.916 119.914 -0.181 0.000 2.407 233 V HA 0.432 4.551 4.120 -0.002 0.000 0.278 233 V C -1.442 174.633 176.094 -0.031 0.000 1.037 233 V CA -1.700 60.569 62.300 -0.050 0.000 0.900 233 V CB 1.602 33.365 31.823 -0.101 0.000 0.983 233 V HN 0.161 nan 8.190 nan 0.000 0.459 234 P HA 0.159 nan 4.420 nan 0.000 0.268 234 P C -0.831 176.481 177.300 0.020 0.000 1.204 234 P CA 0.045 63.121 63.100 -0.040 0.000 0.768 234 P CB 0.531 32.185 31.700 -0.077 0.000 0.842 235 V N 4.374 124.228 119.914 -0.100 0.000 2.409 235 V HA 0.417 4.536 4.120 -0.002 0.000 0.291 235 V C -0.091 175.899 176.094 -0.174 0.000 1.020 235 V CA -0.343 61.934 62.300 -0.039 0.000 0.848 235 V CB 0.535 32.334 31.823 -0.040 0.000 0.990 235 V HN 0.380 nan 8.190 nan 0.000 0.430 236 F N 2.217 122.128 119.950 -0.065 0.000 2.497 236 F HA 0.902 5.428 4.527 -0.001 0.000 0.331 236 F C 0.506 176.263 175.800 -0.072 0.000 1.060 236 F CA -0.429 57.522 58.000 -0.082 0.000 0.989 236 F CB 1.989 40.921 39.000 -0.113 0.000 1.245 236 F HN 0.630 nan 8.300 nan 0.000 0.486 237 A N 0.811 123.700 122.820 0.114 0.000 2.589 237 A HA 0.525 4.844 4.320 -0.002 0.000 0.296 237 A C -1.598 175.985 177.584 -0.002 0.000 1.062 237 A CA -0.972 51.084 52.037 0.032 0.000 0.686 237 A CB 0.956 19.962 19.000 0.010 0.000 1.282 237 A HN 0.677 nan 8.150 nan 0.000 0.404 238 D N 0.303 120.671 120.400 -0.054 0.000 2.393 238 D HA 0.242 4.881 4.640 -0.002 0.000 0.246 238 D C 0.814 177.101 176.300 -0.022 0.000 1.275 238 D CA -0.104 53.807 54.000 -0.148 0.000 0.979 238 D CB -0.031 40.658 40.800 -0.186 0.000 1.101 238 D HN 0.444 nan 8.370 nan 0.000 0.505 239 Y N -0.985 119.388 120.300 0.122 0.000 2.102 239 Y HA -0.167 4.382 4.550 -0.002 0.000 0.280 239 Y C 2.442 178.447 175.900 0.174 0.000 1.178 239 Y CA 1.865 60.114 58.100 0.248 0.000 1.146 239 Y CB -0.927 37.609 38.460 0.127 0.000 0.968 239 Y HN 0.504 nan 8.280 nan 0.000 0.504 240 E N -0.359 119.940 120.200 0.164 0.000 2.208 240 E HA -0.031 4.318 4.350 -0.002 0.000 0.193 240 E C 2.333 178.962 176.600 0.048 0.000 0.988 240 E CA 1.029 57.461 56.400 0.053 0.000 0.828 240 E CB -0.525 29.155 29.700 -0.032 0.000 0.763 240 E HN 0.404 nan 8.360 nan 0.000 0.478 241 G N -0.226 108.601 108.800 0.045 0.000 2.880 241 G HA2 -0.085 3.874 3.960 -0.002 0.000 0.209 241 G HA3 -0.085 3.874 3.960 -0.002 0.000 0.209 241 G C 1.279 176.203 174.900 0.039 0.000 1.157 241 G CA 0.209 45.323 45.100 0.023 0.000 0.779 241 G HN 0.281 nan 8.290 nan 0.000 0.539 242 L N 2.145 123.422 121.223 0.091 0.000 2.046 242 L HA -0.072 4.267 4.340 -0.002 0.000 0.208 242 L C 2.972 179.859 176.870 0.029 0.000 1.077 242 L CA 2.482 57.358 54.840 0.062 0.000 0.747 242 L CB -0.542 41.577 42.059 0.100 0.000 0.896 242 L HN 0.272 nan 8.230 nan 0.000 0.432 243 S N -1.809 113.927 115.700 0.061 0.000 2.474 243 S HA -0.164 4.305 4.470 -0.002 0.000 0.235 243 S C 1.823 176.424 174.600 0.001 0.000 0.997 243 S CA 0.992 59.210 58.200 0.030 0.000 0.949 243 S CB -0.533 62.693 63.200 0.044 0.000 0.766 243 S HN 0.402 nan 8.310 nan 0.000 0.517 244 M N 1.047 120.647 119.600 -0.001 0.000 2.557 244 M HA 0.254 4.733 4.480 -0.002 0.000 0.259 244 M C 1.568 177.854 176.300 -0.023 0.000 1.086 244 M CA 0.706 56.000 55.300 -0.011 0.000 1.096 244 M CB -1.086 31.510 32.600 -0.008 0.000 1.424 244 M HN 0.413 nan 8.290 nan 0.000 0.488 245 L N -1.375 119.827 121.223 -0.035 0.000 2.509 245 L HA 0.005 4.344 4.340 -0.002 0.000 0.222 245 L C 2.034 178.866 176.870 -0.064 0.000 1.123 245 L CA 0.127 54.931 54.840 -0.060 0.000 0.856 245 L CB -0.495 41.511 42.059 -0.088 0.000 0.985 245 L HN 0.156 nan 8.230 nan 0.000 0.456 246 S N 0.498 116.168 115.700 -0.050 0.000 2.447 246 S HA -0.053 4.416 4.470 -0.002 0.000 0.233 246 S C 1.857 176.429 174.600 -0.047 0.000 1.006 246 S CA 1.120 59.289 58.200 -0.051 0.000 0.957 246 S CB -0.077 63.099 63.200 -0.039 0.000 0.773 246 S HN 0.599 nan 8.310 nan 0.000 0.507 247 G N 0.407 109.183 108.800 -0.041 0.000 3.088 247 G HA2 0.341 4.300 3.960 -0.002 0.000 0.217 247 G HA3 0.341 4.300 3.960 -0.002 0.000 0.217 247 G C 0.245 175.120 174.900 -0.041 0.000 1.159 247 G CA -0.272 44.806 45.100 -0.036 0.000 0.760 247 G HN 0.302 nan 8.290 nan 0.000 0.550 248 L N 0.884 122.076 121.223 -0.053 0.000 2.399 248 L HA 0.363 4.702 4.340 -0.002 0.000 0.266 248 L C -2.043 174.785 176.870 -0.070 0.000 1.114 248 L CA -2.055 52.748 54.840 -0.062 0.000 0.804 248 L CB 1.153 43.168 42.059 -0.074 0.000 1.146 248 L HN -0.134 nan 8.230 nan 0.000 0.451 249 P HA 0.003 nan 4.420 nan 0.000 0.267 249 P C -0.044 177.204 177.300 -0.088 0.000 1.200 249 P CA -0.190 62.867 63.100 -0.072 0.000 0.772 249 P CB 0.563 32.222 31.700 -0.068 0.000 0.855 250 D N 1.723 122.072 120.400 -0.085 0.000 2.149 250 D HA -0.164 4.475 4.640 -0.002 0.000 0.198 250 D C 1.713 177.947 176.300 -0.111 0.000 0.990 250 D CA 1.675 55.616 54.000 -0.098 0.000 0.839 250 D CB -0.175 40.573 40.800 -0.086 0.000 0.948 250 D HN 0.390 nan 8.370 nan 0.000 0.460 251 A N 0.458 123.219 122.820 -0.098 0.000 2.119 251 A HA -0.082 4.237 4.320 -0.002 0.000 0.217 251 A C 1.966 179.472 177.584 -0.129 0.000 1.153 251 A CA 0.845 52.820 52.037 -0.103 0.000 0.692 251 A CB -0.160 18.794 19.000 -0.078 0.000 0.799 251 A HN 0.114 nan 8.150 nan 0.000 0.458 252 M N -0.651 118.869 119.600 -0.132 0.000 2.441 252 M HA 0.166 4.645 4.480 -0.002 0.000 0.244 252 M C 0.213 176.395 176.300 -0.198 0.000 1.122 252 M CA 0.371 55.582 55.300 -0.148 0.000 1.041 252 M CB -0.413 32.113 32.600 -0.124 0.000 1.438 252 M HN 0.195 nan 8.290 nan 0.000 0.484 253 R N 1.066 121.439 120.500 -0.212 0.000 2.248 253 R HA 0.302 4.641 4.340 -0.002 0.000 0.337 253 R C 1.370 177.426 176.300 -0.406 0.000 1.106 253 R CA -0.149 55.790 56.100 -0.268 0.000 0.959 253 R CB 0.270 30.449 30.300 -0.203 0.000 1.075 253 R HN 0.234 nan 8.270 nan 0.000 0.480 254 G N 1.879 110.260 108.800 -0.698 0.000 2.511 254 G HA2 0.136 4.095 3.960 -0.002 0.000 0.217 254 G HA3 0.136 4.095 3.960 -0.002 0.000 0.217 254 G C 0.832 175.123 174.900 -1.014 0.000 1.133 254 G CA 0.602 44.889 45.100 -1.356 0.000 0.792 254 G HN 0.890 nan 8.290 nan 0.000 0.539 255 G N -0.388 108.051 108.800 -0.601 0.000 2.488 255 G HA2 -0.212 3.747 3.960 -0.002 0.000 0.237 255 G HA3 -0.212 3.747 3.960 -0.002 0.000 0.237 255 G C -0.077 174.755 174.900 -0.114 0.000 1.209 255 G CA -0.280 44.658 45.100 -0.270 0.000 0.929 255 G HN 0.568 nan 8.290 nan 0.000 0.578 256 L N 0.879 122.109 121.223 0.013 0.000 2.397 256 L HA 0.264 4.603 4.340 -0.002 0.000 0.271 256 L C 2.165 179.168 176.870 0.222 0.000 1.148 256 L CA -0.395 54.495 54.840 0.084 0.000 0.825 256 L CB 1.295 43.396 42.059 0.070 0.000 1.117 256 L HN 0.487 nan 8.230 nan 0.000 0.456 257 V N 1.379 121.374 119.914 0.135 0.000 2.720 257 V HA -0.266 3.853 4.120 -0.002 0.000 0.256 257 V C 2.311 178.392 176.094 -0.021 0.000 1.082 257 V CA 1.822 64.147 62.300 0.041 0.000 1.101 257 V CB -1.269 30.500 31.823 -0.090 0.000 0.693 257 V HN 1.026 nan 8.190 nan 0.000 0.479 258 Q N 3.062 122.874 119.800 0.020 0.000 2.135 258 Q HA -0.266 4.073 4.340 -0.002 0.000 0.204 258 Q C 1.481 177.541 176.000 0.100 0.000 0.981 258 Q CA 2.152 57.976 55.803 0.035 0.000 0.856 258 Q CB -0.858 27.905 28.738 0.043 0.000 0.902 258 Q HN 0.815 nan 8.270 nan 0.000 0.425 259 N N 0.244 119.041 118.700 0.162 0.000 2.421 259 N HA 0.005 4.744 4.740 -0.002 0.000 0.201 259 N C 0.772 176.445 175.510 0.272 0.000 1.198 259 N CA 0.121 53.319 53.050 0.247 0.000 0.838 259 N CB 0.300 38.951 38.487 0.274 0.000 1.011 259 N HN 0.173 nan 8.380 nan 0.000 0.463 260 L N -0.923 120.293 121.223 -0.013 0.000 2.592 260 L HA 0.264 4.603 4.340 -0.002 0.000 0.227 260 L C 1.360 178.230 176.870 0.001 0.000 1.127 260 L CA 0.285 54.880 54.840 -0.407 0.000 0.884 260 L CB -0.674 40.895 42.059 -0.817 0.000 1.065 260 L HN 0.231 nan 8.230 nan 0.000 0.457 261 Y N -0.058 120.268 120.300 0.042 0.000 2.200 261 Y HA -0.216 4.334 4.550 -0.001 0.000 0.290 261 Y C 2.526 178.511 175.900 0.142 0.000 1.137 261 Y CA 1.769 59.909 58.100 0.068 0.000 1.163 261 Y CB -0.072 38.419 38.460 0.052 0.000 0.988 261 Y HN 0.371 nan 8.280 nan 0.000 0.518 262 S N -1.060 114.831 115.700 0.319 0.000 2.603 262 S HA -0.038 4.431 4.470 -0.002 0.000 0.220 262 S C 1.552 176.244 174.600 0.153 0.000 0.967 262 S CA -0.003 58.310 58.200 0.188 0.000 0.920 262 S CB -1.282 62.038 63.200 0.200 0.000 0.773 262 S HN 0.434 nan 8.310 nan 0.000 0.529 263 F N 1.793 121.741 119.950 -0.003 0.000 2.259 263 F HA 0.142 4.668 4.527 -0.002 0.000 0.298 263 F C 2.734 178.538 175.800 0.007 0.000 1.088 263 F CA 0.654 58.673 58.000 0.032 0.000 1.358 263 F CB -0.281 38.750 39.000 0.051 0.000 1.040 263 F HN 0.368 nan 8.300 nan 0.000 0.505 264 A N 0.081 122.968 122.820 0.113 0.000 1.930 264 A HA -0.163 4.156 4.320 -0.002 0.000 0.217 264 A C 2.130 179.715 177.584 0.001 0.000 1.175 264 A CA 1.350 53.402 52.037 0.026 0.000 0.627 264 A CB -0.421 18.548 19.000 -0.051 0.000 0.815 264 A HN 0.280 nan 8.150 nan 0.000 0.443 265 K N -0.374 120.016 120.400 -0.017 0.000 2.103 265 K HA 0.048 4.367 4.320 -0.002 0.000 0.204 265 K C 1.761 178.355 176.600 -0.010 0.000 1.052 265 K CA 1.002 57.279 56.287 -0.017 0.000 0.945 265 K CB -0.194 32.296 32.500 -0.017 0.000 0.722 265 K HN 0.387 nan 8.250 nan 0.000 0.443 266 A N 1.363 124.172 122.820 -0.019 0.000 2.276 266 A HA -0.026 4.293 4.320 -0.002 0.000 0.212 266 A C 0.006 177.587 177.584 -0.005 0.000 1.230 266 A CA 0.453 52.471 52.037 -0.032 0.000 0.844 266 A CB -0.358 18.587 19.000 -0.091 0.000 0.860 266 A HN 0.447 nan 8.150 nan 0.000 0.486 267 D N -2.862 117.547 120.400 0.014 0.000 2.811 267 D HA -0.219 4.420 4.640 -0.002 0.000 0.231 267 D C 0.573 176.907 176.300 0.055 0.000 1.157 267 D CA 1.106 55.123 54.000 0.027 0.000 0.716 267 D CB -1.049 39.760 40.800 0.014 0.000 1.077 267 D HN 0.551 nan 8.370 nan 0.000 0.428 268 A N -0.641 122.241 122.820 0.104 0.000 2.574 268 A HA 0.661 4.980 4.320 -0.002 0.000 0.283 268 A C 0.979 178.807 177.584 0.407 0.000 1.270 268 A CA 0.453 52.631 52.037 0.236 0.000 0.945 268 A CB 0.317 19.448 19.000 0.218 0.000 1.127 268 A HN 0.651 nan 8.150 nan 0.000 0.522 269 A N 1.703 124.666 122.820 0.238 0.000 2.545 269 A HA 0.474 4.793 4.320 -0.002 0.000 0.253 269 A C -2.309 175.340 177.584 0.108 0.000 1.074 269 A CA -0.699 51.455 52.037 0.194 0.000 0.760 269 A CB -0.575 18.472 19.000 0.078 0.000 1.005 269 A HN 0.287 nan 8.150 nan 0.000 0.506 270 P HA -0.062 nan 4.420 nan 0.000 0.263 270 P C 0.339 177.604 177.300 -0.058 0.000 1.175 270 P CA 0.342 63.455 63.100 0.020 0.000 0.761 270 P CB 0.615 32.333 31.700 0.031 0.000 0.794 271 D N 2.241 122.560 120.400 -0.135 0.000 2.137 271 D HA -0.012 4.627 4.640 -0.002 0.000 0.202 271 D C 0.086 176.360 176.300 -0.044 0.000 0.970 271 D CA 1.131 55.071 54.000 -0.100 0.000 0.837 271 D CB 0.115 40.825 40.800 -0.151 0.000 0.981 271 D HN 0.157 nan 8.370 nan 0.000 0.475 272 L N 0.216 121.421 121.223 -0.030 0.000 2.401 272 L HA 0.509 4.848 4.340 -0.002 0.000 0.266 272 L C -1.515 175.375 176.870 0.033 0.000 0.991 272 L CA -0.860 53.989 54.840 0.014 0.000 0.818 272 L CB 2.279 44.357 42.059 0.033 0.000 1.321 272 L HN -0.206 nan 8.230 nan 0.000 0.413 273 V N 5.899 125.835 119.914 0.035 0.000 2.525 273 V HA 0.543 4.663 4.120 -0.002 0.000 0.299 273 V C -1.520 174.595 176.094 0.036 0.000 1.034 273 V CA -0.623 61.693 62.300 0.027 0.000 0.863 273 V CB 1.809 33.621 31.823 -0.018 0.000 0.999 273 V HN 0.719 nan 8.190 nan 0.000 0.423 274 L N 8.102 129.355 121.223 0.051 0.000 2.272 274 L HA 0.623 4.962 4.340 -0.002 0.000 0.284 274 L C -0.164 176.715 176.870 0.015 0.000 1.045 274 L CA 0.111 54.982 54.840 0.051 0.000 0.842 274 L CB 0.994 43.112 42.059 0.099 0.000 1.224 274 L HN 0.743 nan 8.230 nan 0.000 0.430 275 M N 6.543 126.128 119.600 -0.025 0.000 2.084 275 M HA 0.343 4.822 4.480 -0.002 0.000 0.351 275 M C -0.819 175.448 176.300 -0.054 0.000 1.240 275 M CA 0.094 55.350 55.300 -0.074 0.000 1.083 275 M CB 0.723 33.223 32.600 -0.166 0.000 1.593 275 M HN 0.443 nan 8.290 nan 0.000 0.463 276 L N 3.546 124.741 121.223 -0.047 0.000 2.356 276 L HA 0.476 4.815 4.340 -0.002 0.000 0.264 276 L C 0.938 177.778 176.870 -0.050 0.000 1.029 276 L CA -0.329 54.486 54.840 -0.042 0.000 0.897 276 L CB 0.835 42.875 42.059 -0.032 0.000 1.256 276 L HN 1.098 nan 8.230 nan 0.000 0.444 277 G N 1.928 110.695 108.800 -0.055 0.000 2.253 277 G HA2 -0.294 3.665 3.960 -0.002 0.000 0.251 277 G HA3 -0.294 3.665 3.960 -0.002 0.000 0.251 277 G C 0.483 175.338 174.900 -0.075 0.000 0.998 277 G CA 0.037 45.103 45.100 -0.057 0.000 0.621 277 G HN 0.763 nan 8.290 nan 0.000 0.524 278 A N 0.851 123.612 122.820 -0.097 0.000 2.454 278 A HA 0.711 5.030 4.320 -0.002 0.000 0.260 278 A C 0.740 178.220 177.584 -0.172 0.000 1.106 278 A CA 0.253 52.212 52.037 -0.131 0.000 0.780 278 A CB 0.216 19.125 19.000 -0.152 0.000 1.044 278 A HN 0.551 nan 8.150 nan 0.000 0.498 279 R N 1.019 121.451 120.500 -0.113 0.000 2.573 279 R HA 0.434 4.773 4.340 -0.002 0.000 0.272 279 R C -1.200 175.022 176.300 -0.130 0.000 1.009 279 R CA -0.469 55.590 56.100 -0.068 0.000 1.059 279 R CB 0.917 31.271 30.300 0.091 0.000 1.112 279 R HN 0.656 nan 8.270 nan 0.000 0.517 280 F N 0.976 120.944 119.950 0.031 0.000 2.502 280 F HA 0.327 4.854 4.527 -0.001 0.000 0.371 280 F C 1.265 177.068 175.800 0.004 0.000 1.083 280 F CA 1.027 59.036 58.000 0.015 0.000 1.174 280 F CB 0.917 39.931 39.000 0.023 0.000 1.096 280 F HN 0.672 nan 8.300 nan 0.000 0.545 281 G N 2.079 110.937 108.800 0.097 0.000 2.393 281 G HA2 0.128 4.087 3.960 -0.002 0.000 0.264 281 G HA3 0.128 4.087 3.960 -0.002 0.000 0.264 281 G C -0.215 174.459 174.900 -0.376 0.000 1.221 281 G CA -0.667 44.393 45.100 -0.067 0.000 0.912 281 G HN 0.487 nan 8.290 nan 0.000 0.483 282 L N 0.790 121.832 121.223 -0.301 0.000 2.013 282 L HA -0.049 4.290 4.340 -0.002 0.000 0.212 282 L C 2.273 179.051 176.870 -0.153 0.000 1.073 282 L CA 2.863 57.545 54.840 -0.263 0.000 0.753 282 L CB -0.585 41.556 42.059 0.137 0.000 0.890 282 L HN 0.530 nan 8.230 nan 0.000 0.432 283 N N -1.050 117.653 118.700 0.006 0.000 2.270 283 N HA -0.077 4.662 4.740 -0.002 0.000 0.181 283 N C 1.335 176.761 175.510 -0.140 0.000 1.016 283 N CA 1.610 54.604 53.050 -0.094 0.000 0.870 283 N CB -0.349 38.060 38.487 -0.129 0.000 0.979 283 N HN 0.616 nan 8.380 nan 0.000 0.431 284 T N -3.095 111.381 114.554 -0.131 0.000 3.186 284 T HA 0.394 4.743 4.350 -0.002 0.000 0.257 284 T C 1.043 175.689 174.700 -0.089 0.000 1.029 284 T CA 0.095 62.117 62.100 -0.130 0.000 0.916 284 T CB 0.174 68.937 68.868 -0.175 0.000 1.041 284 T HN 0.229 nan 8.240 nan 0.000 0.562 285 G N 1.895 110.607 108.800 -0.148 0.000 2.198 285 G HA2 -0.278 3.681 3.960 -0.002 0.000 0.257 285 G HA3 -0.278 3.681 3.960 -0.002 0.000 0.257 285 G C 0.283 175.199 174.900 0.026 0.000 1.042 285 G CA 0.547 45.603 45.100 -0.074 0.000 0.791 285 G HN 0.947 nan 8.290 nan 0.000 0.502 286 H N -1.775 117.360 119.070 0.108 0.000 1.452 286 H HA -0.234 4.321 4.556 -0.001 0.000 0.090 286 H C 1.871 177.301 175.328 0.171 0.000 0.973 286 H CA 2.399 58.519 56.048 0.121 0.000 1.901 286 H CB -1.259 28.541 29.762 0.062 0.000 2.257 286 H HN 1.259 nan 8.280 nan 0.000 0.961 287 G N -0.719 108.239 108.800 0.263 0.000 4.222 287 G HA2 0.352 4.311 3.960 -0.002 0.000 0.301 287 G HA3 0.352 4.311 3.960 -0.002 0.000 0.301 287 G C 0.772 175.805 174.900 0.222 0.000 1.171 287 G CA 0.466 45.664 45.100 0.163 0.000 0.937 287 G HN 0.672 nan 8.290 nan 0.000 0.557 288 S N -1.050 114.761 115.700 0.184 0.000 2.446 288 S HA 0.311 4.780 4.470 -0.002 0.000 0.225 288 S C 1.989 176.626 174.600 0.061 0.000 1.016 288 S CA 1.099 59.405 58.200 0.176 0.000 0.943 288 S CB 0.046 63.343 63.200 0.162 0.000 0.786 288 S HN 1.432 nan 8.310 nan 0.000 0.508 289 G N 0.950 109.616 108.800 -0.223 0.000 2.176 289 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.253 289 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.253 289 G C 0.728 175.491 174.900 -0.228 0.000 0.979 289 G CA 0.446 45.199 45.100 -0.578 0.000 0.641 289 G HN 0.542 nan 8.290 nan 0.000 0.530 290 Q N -0.626 119.126 119.800 -0.081 0.000 2.172 290 Q HA 0.229 4.568 4.340 -0.002 0.000 0.200 290 Q C 2.592 178.564 176.000 -0.048 0.000 0.964 290 Q CA 1.347 57.118 55.803 -0.053 0.000 0.855 290 Q CB 0.027 28.830 28.738 0.107 0.000 0.918 290 Q HN 0.675 nan 8.270 nan 0.000 0.444 291 L N -0.473 120.732 121.223 -0.031 0.000 2.356 291 L HA 0.143 4.482 4.340 -0.002 0.000 0.193 291 L C 0.598 177.377 176.870 -0.151 0.000 1.087 291 L CA -0.055 54.732 54.840 -0.087 0.000 0.817 291 L CB 0.303 42.318 42.059 -0.075 0.000 1.035 291 L HN 0.107 nan 8.230 nan 0.000 0.482 292 I N 2.135 122.642 120.570 -0.106 0.000 2.291 292 I HA 0.258 4.427 4.170 -0.002 0.000 0.292 292 I C -2.271 173.781 176.117 -0.109 0.000 1.064 292 I CA -2.433 58.819 61.300 -0.080 0.000 1.269 292 I CB 0.012 38.027 38.000 0.024 0.000 1.418 292 I HN -0.183 nan 8.210 nan 0.000 0.485 293 P HA 0.108 nan 4.420 nan 0.000 0.271 293 P C 0.800 178.034 177.300 -0.110 0.000 1.218 293 P CA 0.001 63.019 63.100 -0.137 0.000 0.780 293 P CB 0.593 32.260 31.700 -0.055 0.000 0.901 294 H N 0.510 119.591 119.070 0.018 0.000 2.428 294 H HA -0.067 4.488 4.556 -0.001 0.000 0.296 294 H C 1.798 177.130 175.328 0.006 0.000 1.062 294 H CA 2.022 58.075 56.048 0.009 0.000 1.350 294 H CB -0.611 29.150 29.762 -0.002 0.000 1.403 294 H HN 0.454 nan 8.280 nan 0.000 0.533 295 S N 0.404 116.169 115.700 0.110 0.000 2.481 295 S HA 0.161 4.630 4.470 -0.002 0.000 0.231 295 S C 1.350 175.972 174.600 0.037 0.000 0.996 295 S CA 0.154 58.389 58.200 0.060 0.000 0.942 295 S CB -0.084 63.139 63.200 0.038 0.000 0.768 295 S HN 0.385 nan 8.310 nan 0.000 0.520 296 A N 1.467 124.307 122.820 0.033 0.000 2.371 296 A HA 0.419 4.738 4.320 -0.002 0.000 0.257 296 A C 0.134 177.741 177.584 0.040 0.000 1.089 296 A CA -0.535 51.515 52.037 0.022 0.000 0.794 296 A CB 0.178 19.183 19.000 0.009 0.000 1.029 296 A HN 0.537 nan 8.150 nan 0.000 0.488 297 Q N 0.746 120.565 119.800 0.033 0.000 2.295 297 Q HA 0.419 4.758 4.340 -0.002 0.000 0.259 297 Q C -0.979 175.055 176.000 0.057 0.000 0.976 297 Q CA -0.245 55.584 55.803 0.044 0.000 0.923 297 Q CB 1.369 30.128 28.738 0.035 0.000 1.185 297 Q HN 0.496 nan 8.270 nan 0.000 0.410 298 V N 5.203 125.164 119.914 0.078 0.000 2.370 298 V HA 0.373 4.492 4.120 -0.002 0.000 0.283 298 V C -0.127 176.019 176.094 0.086 0.000 1.023 298 V CA -0.583 61.775 62.300 0.097 0.000 0.857 298 V CB 1.125 33.054 31.823 0.177 0.000 0.985 298 V HN 0.639 nan 8.190 nan 0.000 0.443 299 I N 4.772 125.383 120.570 0.068 0.000 2.307 299 I HA 0.423 4.592 4.170 -0.002 0.000 0.289 299 I C 0.057 176.201 176.117 0.045 0.000 1.021 299 I CA -0.012 61.323 61.300 0.059 0.000 1.224 299 I CB 1.111 39.145 38.000 0.057 0.000 1.376 299 I HN 0.630 nan 8.210 nan 0.000 0.470 300 Q N 5.969 125.800 119.800 0.052 0.000 2.333 300 Q HA 0.564 4.903 4.340 -0.002 0.000 0.265 300 Q C -1.590 174.423 176.000 0.021 0.000 0.989 300 Q CA -0.659 55.164 55.803 0.033 0.000 0.842 300 Q CB 2.229 31.014 28.738 0.079 0.000 1.262 300 Q HN 0.510 nan 8.270 nan 0.000 0.451 301 V N 3.963 123.876 119.914 -0.003 0.000 2.384 301 V HA 0.458 4.577 4.120 -0.002 0.000 0.287 301 V C -0.922 175.164 176.094 -0.014 0.000 1.020 301 V CA -0.531 61.764 62.300 -0.009 0.000 0.850 301 V CB 1.654 33.463 31.823 -0.024 0.000 0.987 301 V HN 0.857 nan 8.190 nan 0.000 0.436 302 D N 4.988 125.385 120.400 -0.004 0.000 2.927 302 D HA 0.465 5.104 4.640 -0.002 0.000 0.219 302 D C -2.074 174.226 176.300 -0.001 0.000 1.248 302 D CA -1.109 52.887 54.000 -0.007 0.000 0.861 302 D CB 3.317 44.119 40.800 0.002 0.000 1.677 302 D HN 0.230 nan 8.370 nan 0.000 0.511 303 P HA -0.034 nan 4.420 nan 0.000 0.225 303 P C -0.265 177.037 177.300 0.004 0.000 1.148 303 P CA 0.703 63.801 63.100 -0.002 0.000 0.779 303 P CB 0.269 31.965 31.700 -0.007 0.000 0.780 304 D N -0.514 119.889 120.400 0.005 0.000 2.349 304 D HA 0.385 5.024 4.640 -0.002 0.000 0.232 304 D C 1.055 177.370 176.300 0.025 0.000 1.071 304 D CA -0.643 53.365 54.000 0.014 0.000 0.832 304 D CB 1.562 42.364 40.800 0.004 0.000 1.086 304 D HN -0.168 nan 8.370 nan 0.000 0.504 305 A N 3.011 125.848 122.820 0.028 0.000 1.969 305 A HA -0.137 4.182 4.320 -0.002 0.000 0.218 305 A C 2.359 179.967 177.584 0.041 0.000 1.169 305 A CA 0.890 52.947 52.037 0.033 0.000 0.635 305 A CB -0.582 18.435 19.000 0.028 0.000 0.810 305 A HN 0.768 nan 8.150 nan 0.000 0.445 306 C N -0.070 119.255 119.300 0.041 0.000 2.403 306 C HA -0.109 4.350 4.460 -0.002 0.000 0.277 306 C C 2.519 177.545 174.990 0.059 0.000 1.248 306 C CA 1.261 60.307 59.018 0.046 0.000 1.762 306 C CB -0.978 26.790 27.740 0.046 0.000 2.014 306 C HN 0.602 nan 8.230 nan 0.000 0.486 307 E N 0.189 120.429 120.200 0.067 0.000 2.285 307 E HA 0.007 4.356 4.350 -0.002 0.000 0.194 307 E C 0.476 177.169 176.600 0.155 0.000 0.997 307 E CA 0.337 56.800 56.400 0.105 0.000 0.845 307 E CB -0.299 29.448 29.700 0.079 0.000 0.782 307 E HN 0.423 nan 8.360 nan 0.000 0.491 308 L N 1.450 122.740 121.223 0.111 0.000 2.699 308 L HA 0.077 4.416 4.340 -0.002 0.000 0.283 308 L C 1.116 178.061 176.870 0.126 0.000 1.166 308 L CA 0.903 55.817 54.840 0.124 0.000 1.043 308 L CB -0.907 41.197 42.059 0.075 0.000 1.369 308 L HN 0.249 nan 8.230 nan 0.000 0.462 309 G N 2.961 111.890 108.800 0.216 0.000 2.256 309 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.272 309 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.272 309 G C 1.220 176.049 174.900 -0.119 0.000 1.076 309 G CA 0.646 45.757 45.100 0.017 0.000 0.882 309 G HN 0.751 nan 8.290 nan 0.000 0.497 310 R N -0.899 119.583 120.500 -0.031 0.000 2.148 310 R HA 0.268 4.607 4.340 -0.002 0.000 0.223 310 R C 1.884 178.112 176.300 -0.120 0.000 1.088 310 R CA 1.697 57.777 56.100 -0.033 0.000 0.985 310 R CB -0.132 30.202 30.300 0.056 0.000 0.880 310 R HN 0.499 nan 8.270 nan 0.000 0.451 311 L N -0.961 120.084 121.223 -0.296 0.000 2.966 311 L HA 0.350 4.689 4.340 -0.002 0.000 0.262 311 L C 0.153 176.805 176.870 -0.363 0.000 1.165 311 L CA -0.258 54.430 54.840 -0.254 0.000 0.978 311 L CB 0.633 42.630 42.059 -0.103 0.000 1.337 311 L HN 0.214 nan 8.230 nan 0.000 0.563 312 Q N -0.356 119.088 119.800 -0.592 0.000 2.426 312 Q HA 0.465 4.805 4.340 -0.002 0.000 0.278 312 Q C -0.530 175.286 176.000 -0.306 0.000 1.007 312 Q CA -0.588 54.951 55.803 -0.440 0.000 0.850 312 Q CB 2.519 30.901 28.738 -0.593 0.000 1.427 312 Q HN 0.114 nan 8.270 nan 0.000 0.391 313 G N 2.731 111.454 108.800 -0.127 0.000 2.365 313 G HA2 0.435 4.394 3.960 -0.002 0.000 0.249 313 G HA3 0.435 4.394 3.960 -0.002 0.000 0.249 313 G C -0.087 174.808 174.900 -0.008 0.000 1.288 313 G CA -0.126 44.939 45.100 -0.059 0.000 0.887 313 G HN 0.574 nan 8.290 nan 0.000 0.524 314 I N -0.222 120.359 120.570 0.019 0.000 2.797 314 I HA 0.771 4.940 4.170 -0.002 0.000 0.307 314 I C 0.872 177.021 176.117 0.053 0.000 1.033 314 I CA -1.350 59.993 61.300 0.073 0.000 1.071 314 I CB 2.318 40.393 38.000 0.124 0.000 1.255 314 I HN 0.415 nan 8.210 nan 0.000 0.445 315 A N 3.284 126.139 122.820 0.060 0.000 1.997 315 A HA 0.428 4.747 4.320 -0.002 0.000 0.212 315 A C 0.404 178.014 177.584 0.042 0.000 1.178 315 A CA 0.745 52.809 52.037 0.045 0.000 0.698 315 A CB 0.071 19.097 19.000 0.044 0.000 0.842 315 A HN 0.645 nan 8.150 nan 0.000 0.458 316 L N -1.390 119.864 121.223 0.051 0.000 2.505 316 L HA 0.676 5.015 4.340 -0.002 0.000 0.266 316 L C -0.571 176.329 176.870 0.051 0.000 0.954 316 L CA -0.078 54.789 54.840 0.045 0.000 0.852 316 L CB 1.635 43.719 42.059 0.042 0.000 1.282 316 L HN 0.102 nan 8.230 nan 0.000 0.403 317 G N 5.766 114.592 108.800 0.044 0.000 2.605 317 G HA2 0.634 4.593 3.960 -0.002 0.000 0.304 317 G HA3 0.634 4.593 3.960 -0.002 0.000 0.304 317 G C -1.123 173.796 174.900 0.032 0.000 1.333 317 G CA -0.293 44.834 45.100 0.046 0.000 0.973 317 G HN 0.530 nan 8.290 nan 0.000 0.507 318 I N 2.412 122.997 120.570 0.026 0.000 2.362 318 I HA 0.247 4.416 4.170 -0.002 0.000 0.289 318 I C -0.032 176.093 176.117 0.012 0.000 0.994 318 I CA -1.111 60.199 61.300 0.016 0.000 1.158 318 I CB 2.259 40.263 38.000 0.008 0.000 1.315 318 I HN 0.209 nan 8.210 nan 0.000 0.451 319 V N 7.439 127.360 119.914 0.012 0.000 2.372 319 V HA 0.827 4.946 4.120 -0.002 0.000 0.261 319 V C 0.097 176.193 176.094 0.003 0.000 1.055 319 V CA 0.308 62.613 62.300 0.009 0.000 0.930 319 V CB 0.298 32.128 31.823 0.012 0.000 1.031 319 V HN 0.898 nan 8.190 nan 0.000 0.479 320 A N 4.540 127.358 122.820 -0.002 0.000 2.564 320 A HA 0.571 4.890 4.320 -0.002 0.000 0.291 320 A C -1.114 176.463 177.584 -0.011 0.000 1.102 320 A CA -0.659 51.374 52.037 -0.007 0.000 0.660 320 A CB 1.169 20.162 19.000 -0.012 0.000 1.283 320 A HN 0.790 nan 8.150 nan 0.000 0.430 321 D N -0.276 120.118 120.400 -0.010 0.000 2.350 321 D HA 0.381 5.020 4.640 -0.002 0.000 0.249 321 D C 1.112 177.398 176.300 -0.023 0.000 1.119 321 D CA 0.155 54.148 54.000 -0.013 0.000 0.886 321 D CB 1.238 42.034 40.800 -0.006 0.000 1.195 321 D HN 0.196 nan 8.370 nan 0.000 0.437 322 V N 3.782 123.680 119.914 -0.027 0.000 2.358 322 V HA -0.058 4.061 4.120 -0.002 0.000 0.246 322 V C 2.322 178.392 176.094 -0.041 0.000 1.047 322 V CA 2.106 64.383 62.300 -0.038 0.000 1.035 322 V CB -0.850 30.951 31.823 -0.037 0.000 0.658 322 V HN 0.825 nan 8.190 nan 0.000 0.452 323 G N 0.143 108.926 108.800 -0.028 0.000 2.422 323 G HA2 -0.154 3.805 3.960 -0.002 0.000 0.218 323 G HA3 -0.154 3.805 3.960 -0.002 0.000 0.218 323 G C 1.609 176.498 174.900 -0.018 0.000 1.146 323 G CA 0.951 46.038 45.100 -0.022 0.000 0.769 323 G HN 0.584 nan 8.290 nan 0.000 0.547 324 G N 0.024 108.817 108.800 -0.012 0.000 2.408 324 G HA2 -0.081 3.878 3.960 -0.002 0.000 0.217 324 G HA3 -0.081 3.878 3.960 -0.002 0.000 0.217 324 G C 1.823 176.700 174.900 -0.040 0.000 1.150 324 G CA 1.663 46.758 45.100 -0.008 0.000 0.776 324 G HN 0.382 nan 8.290 nan 0.000 0.542 325 T N 1.418 115.938 114.554 -0.058 0.000 2.737 325 T HA -0.026 4.323 4.350 -0.002 0.000 0.265 325 T C 2.399 177.003 174.700 -0.160 0.000 1.038 325 T CA 0.900 62.942 62.100 -0.096 0.000 1.144 325 T CB -0.157 68.657 68.868 -0.089 0.000 0.866 325 T HN 0.233 nan 8.240 nan 0.000 0.434 326 I N 0.895 121.374 120.570 -0.151 0.000 2.208 326 I HA -0.197 3.972 4.170 -0.002 0.000 0.245 326 I C 2.707 178.730 176.117 -0.157 0.000 1.097 326 I CA 1.364 62.547 61.300 -0.193 0.000 1.363 326 I CB -0.331 37.607 38.000 -0.102 0.000 1.051 326 I HN 0.225 nan 8.210 nan 0.000 0.413 327 E N 0.948 121.097 120.200 -0.084 0.000 2.085 327 E HA -0.231 4.118 4.350 -0.002 0.000 0.194 327 E C 2.192 178.754 176.600 -0.064 0.000 0.994 327 E CA 1.675 58.045 56.400 -0.049 0.000 0.801 327 E CB -0.133 29.558 29.700 -0.016 0.000 0.743 327 E HN 0.479 nan 8.360 nan 0.000 0.453 328 A N 0.018 122.788 122.820 -0.084 0.000 1.898 328 A HA -0.103 4.216 4.320 -0.002 0.000 0.216 328 A C 2.183 179.707 177.584 -0.101 0.000 1.181 328 A CA 1.051 53.044 52.037 -0.074 0.000 0.620 328 A CB -0.585 18.375 19.000 -0.066 0.000 0.819 328 A HN 0.282 nan 8.150 nan 0.000 0.442 329 L N -0.746 120.341 121.223 -0.227 0.000 2.083 329 L HA -0.181 4.159 4.340 -0.002 0.000 0.209 329 L C 3.068 179.843 176.870 -0.158 0.000 1.083 329 L CA 1.053 55.664 54.840 -0.381 0.000 0.752 329 L CB -0.447 40.964 42.059 -1.081 0.000 0.899 329 L HN 0.434 nan 8.230 nan 0.000 0.433 330 A N -0.720 122.042 122.820 -0.097 0.000 1.898 330 A HA -0.260 4.059 4.320 -0.002 0.000 0.216 330 A C 2.262 179.891 177.584 0.075 0.000 1.181 330 A CA 1.653 53.738 52.037 0.080 0.000 0.620 330 A CB -0.534 18.499 19.000 0.056 0.000 0.819 330 A HN 0.466 nan 8.150 nan 0.000 0.442 331 Q N -0.549 119.269 119.800 0.030 0.000 2.084 331 Q HA -0.141 4.198 4.340 -0.002 0.000 0.202 331 Q C 2.178 178.215 176.000 0.061 0.000 0.978 331 Q CA 1.636 57.459 55.803 0.034 0.000 0.844 331 Q CB -0.316 28.427 28.738 0.007 0.000 0.898 331 Q HN 0.602 nan 8.270 nan 0.000 0.426 332 A N -0.487 122.376 122.820 0.072 0.000 1.930 332 A HA -0.117 4.202 4.320 -0.002 0.000 0.217 332 A C 2.120 179.813 177.584 0.180 0.000 1.175 332 A CA 1.764 53.866 52.037 0.108 0.000 0.627 332 A CB -0.729 18.334 19.000 0.104 0.000 0.815 332 A HN 0.432 nan 8.150 nan 0.000 0.443 333 T N -1.034 113.658 114.554 0.230 0.000 3.100 333 T HA 0.318 4.667 4.350 -0.002 0.000 0.253 333 T C 1.635 176.470 174.700 0.226 0.000 1.118 333 T CA 0.985 63.279 62.100 0.323 0.000 1.058 333 T CB -0.396 68.663 68.868 0.320 0.000 0.953 333 T HN 0.459 nan 8.240 nan 0.000 0.515 334 A N 1.201 124.111 122.820 0.150 0.000 2.066 334 A HA -0.015 4.304 4.320 -0.002 0.000 0.218 334 A C 2.113 179.757 177.584 0.100 0.000 1.157 334 A CA 1.210 53.310 52.037 0.105 0.000 0.670 334 A CB -0.232 18.812 19.000 0.073 0.000 0.804 334 A HN 0.761 nan 8.150 nan 0.000 0.453 335 Q N -1.834 118.031 119.800 0.109 0.000 2.246 335 Q HA 0.089 4.429 4.340 -0.002 0.000 0.222 335 Q C 0.750 176.806 176.000 0.094 0.000 0.851 335 Q CA 0.300 56.153 55.803 0.084 0.000 0.945 335 Q CB 0.046 28.821 28.738 0.062 0.000 1.122 335 Q HN 0.378 nan 8.270 nan 0.000 0.508 336 D N 2.419 122.910 120.400 0.152 0.000 2.084 336 D HA -0.033 4.606 4.640 -0.002 0.000 0.199 336 D C 0.624 176.985 176.300 0.102 0.000 0.981 336 D CA 1.967 56.049 54.000 0.136 0.000 0.841 336 D CB -0.042 40.926 40.800 0.280 0.000 0.997 336 D HN 0.321 nan 8.370 nan 0.000 0.454 337 A N -0.873 122.073 122.820 0.209 0.000 2.687 337 A HA -0.016 4.303 4.320 -0.002 0.000 0.299 337 A C 0.591 178.229 177.584 0.089 0.000 1.497 337 A CA 1.353 53.493 52.037 0.172 0.000 0.751 337 A CB -1.891 17.171 19.000 0.103 0.000 1.048 337 A HN 0.651 nan 8.150 nan 0.000 0.464 338 A N -1.518 121.314 122.820 0.020 0.000 2.897 338 A HA 0.516 4.835 4.320 -0.002 0.000 0.230 338 A C -0.465 177.013 177.584 -0.177 0.000 0.896 338 A CA -0.256 51.728 52.037 -0.088 0.000 1.114 338 A CB -0.040 18.870 19.000 -0.149 0.000 1.230 338 A HN 0.949 nan 8.150 nan 0.000 0.481 339 W N 1.047 122.348 121.300 0.002 0.000 2.376 339 W HA 0.576 5.235 4.660 -0.002 0.000 0.322 339 W C -2.046 174.472 176.519 -0.001 0.000 1.160 339 W CA -1.721 55.623 57.345 -0.002 0.000 1.218 339 W CB 0.338 29.789 29.460 -0.015 0.000 1.205 339 W HN 0.229 nan 8.180 nan 0.000 0.559 340 P HA -0.080 nan 4.420 nan 0.000 0.269 340 P C 0.492 177.879 177.300 0.146 0.000 1.217 340 P CA 0.077 63.264 63.100 0.146 0.000 0.783 340 P CB 0.897 32.674 31.700 0.128 0.000 0.898 341 D N 1.426 121.887 120.400 0.101 0.000 2.075 341 D HA -0.143 4.496 4.640 -0.002 0.000 0.196 341 D C 0.499 176.856 176.300 0.096 0.000 0.985 341 D CA 1.133 55.184 54.000 0.085 0.000 0.834 341 D CB -0.074 40.765 40.800 0.065 0.000 0.987 341 D HN 0.339 nan 8.370 nan 0.000 0.452 342 R N -1.794 118.775 120.500 0.114 0.000 3.875 342 R HA -0.166 4.173 4.340 -0.002 0.000 0.321 342 R C 1.406 177.803 176.300 0.161 0.000 1.196 342 R CA 0.277 56.479 56.100 0.170 0.000 0.868 342 R CB -2.168 28.259 30.300 0.211 0.000 1.333 342 R HN 0.376 nan 8.270 nan 0.000 0.522 343 G N 0.726 109.586 108.800 0.101 0.000 2.422 343 G HA2 -0.250 3.709 3.960 -0.002 0.000 0.218 343 G HA3 -0.250 3.709 3.960 -0.002 0.000 0.218 343 G C 0.980 175.924 174.900 0.072 0.000 1.146 343 G CA 1.105 46.243 45.100 0.064 0.000 0.769 343 G HN 0.300 nan 8.290 nan 0.000 0.547 344 D N -0.437 120.027 120.400 0.106 0.000 2.144 344 D HA -0.104 4.535 4.640 -0.002 0.000 0.200 344 D C 1.883 178.294 176.300 0.184 0.000 0.978 344 D CA 0.470 54.539 54.000 0.116 0.000 0.833 344 D CB -0.372 40.497 40.800 0.115 0.000 0.961 344 D HN 0.594 nan 8.370 nan 0.000 0.470 345 W N 1.011 122.332 121.300 0.034 0.000 2.418 345 W HA -0.175 4.485 4.660 -0.002 0.000 0.292 345 W C 1.651 178.212 176.519 0.071 0.000 1.213 345 W CA 0.449 57.829 57.345 0.058 0.000 1.283 345 W CB -0.192 29.309 29.460 0.068 0.000 1.119 345 W HN -0.046 nan 8.180 nan 0.000 0.542 346 C N 0.814 120.071 119.300 -0.072 0.000 2.432 346 C HA -0.032 4.427 4.460 -0.002 0.000 0.280 346 C C 3.088 177.978 174.990 -0.167 0.000 1.353 346 C CA 1.539 60.442 59.018 -0.192 0.000 1.766 346 C CB -1.486 26.204 27.740 -0.083 0.000 1.924 346 C HN 0.463 nan 8.230 nan 0.000 0.509 347 A N 0.075 122.841 122.820 -0.089 0.000 1.930 347 A HA -0.141 4.178 4.320 -0.002 0.000 0.215 347 A C 2.185 179.710 177.584 -0.099 0.000 1.176 347 A CA 1.525 53.519 52.037 -0.073 0.000 0.632 347 A CB -0.428 18.557 19.000 -0.025 0.000 0.819 347 A HN 0.640 nan 8.150 nan 0.000 0.445 348 K N 0.214 120.545 120.400 -0.116 0.000 2.057 348 K HA -0.100 4.219 4.320 -0.002 0.000 0.206 348 K C 1.889 178.336 176.600 -0.255 0.000 1.050 348 K CA 1.587 57.788 56.287 -0.143 0.000 0.935 348 K CB -0.289 32.195 32.500 -0.027 0.000 0.715 348 K HN 0.401 nan 8.250 nan 0.000 0.439 349 V N -1.417 118.287 119.914 -0.351 0.000 2.515 349 V HA -0.159 3.960 4.120 -0.002 0.000 0.250 349 V C 1.760 177.831 176.094 -0.039 0.000 1.058 349 V CA 2.135 64.362 62.300 -0.122 0.000 1.064 349 V CB -0.958 30.759 31.823 -0.178 0.000 0.675 349 V HN 0.215 nan 8.190 nan 0.000 0.461 350 T N 0.270 114.753 114.554 -0.119 0.000 2.812 350 T HA -0.093 4.256 4.350 -0.002 0.000 0.264 350 T C 1.624 176.291 174.700 -0.055 0.000 1.042 350 T CA 1.644 63.689 62.100 -0.092 0.000 1.140 350 T CB -0.443 68.362 68.868 -0.106 0.000 0.870 350 T HN 0.509 nan 8.240 nan 0.000 0.445 351 D N 1.187 121.547 120.400 -0.067 0.000 2.144 351 D HA 0.025 4.664 4.640 -0.002 0.000 0.200 351 D C 2.050 178.327 176.300 -0.039 0.000 0.978 351 D CA 0.636 54.607 54.000 -0.047 0.000 0.833 351 D CB -0.350 40.418 40.800 -0.054 0.000 0.961 351 D HN 0.282 nan 8.370 nan 0.000 0.470 352 L N 0.361 121.537 121.223 -0.079 0.000 2.141 352 L HA -0.082 4.258 4.340 -0.002 0.000 0.209 352 L C 2.393 179.300 176.870 0.062 0.000 1.094 352 L CA 0.942 55.736 54.840 -0.076 0.000 0.763 352 L CB -0.262 41.606 42.059 -0.318 0.000 0.908 352 L HN -0.023 nan 8.230 nan 0.000 0.437 353 A N -0.509 122.371 122.820 0.100 0.000 1.930 353 A HA -0.247 4.072 4.320 -0.002 0.000 0.217 353 A C 2.200 179.851 177.584 0.112 0.000 1.175 353 A CA 1.645 53.760 52.037 0.129 0.000 0.627 353 A CB -0.406 18.641 19.000 0.079 0.000 0.815 353 A HN 0.392 nan 8.150 nan 0.000 0.443 354 Q N 0.138 119.981 119.800 0.071 0.000 2.119 354 Q HA -0.157 4.182 4.340 -0.002 0.000 0.201 354 Q C 1.815 177.893 176.000 0.129 0.000 0.972 354 Q CA 2.143 58.005 55.803 0.099 0.000 0.847 354 Q CB -0.353 28.413 28.738 0.046 0.000 0.903 354 Q HN 0.649 nan 8.270 nan 0.000 0.433 355 E N 0.010 120.256 120.200 0.078 0.000 2.097 355 E HA -0.214 4.135 4.350 -0.002 0.000 0.196 355 E C 1.981 178.628 176.600 0.077 0.000 1.000 355 E CA 1.440 57.876 56.400 0.060 0.000 0.804 355 E CB -0.141 29.575 29.700 0.027 0.000 0.740 355 E HN 0.323 nan 8.360 nan 0.000 0.454 356 R N -1.055 119.510 120.500 0.109 0.000 2.062 356 R HA -0.181 4.158 4.340 -0.002 0.000 0.231 356 R C 2.340 178.709 176.300 0.116 0.000 1.136 356 R CA 1.676 57.842 56.100 0.111 0.000 0.948 356 R CB -0.567 29.822 30.300 0.148 0.000 0.845 356 R HN 0.342 nan 8.270 nan 0.000 0.430 357 Y N 0.593 120.931 120.300 0.064 0.000 2.181 357 Y HA -0.181 4.367 4.550 -0.002 0.000 0.288 357 Y C 2.040 177.983 175.900 0.072 0.000 1.146 357 Y CA 1.706 59.868 58.100 0.103 0.000 1.164 357 Y CB -0.271 38.274 38.460 0.142 0.000 0.982 357 Y HN 0.193 nan 8.280 nan 0.000 0.515 358 A N -1.477 121.415 122.820 0.120 0.000 1.968 358 A HA -0.127 4.192 4.320 -0.002 0.000 0.217 358 A C 2.430 179.975 177.584 -0.065 0.000 1.169 358 A CA 1.551 53.606 52.037 0.030 0.000 0.638 358 A CB -1.120 17.934 19.000 0.089 0.000 0.812 358 A HN 0.471 nan 8.150 nan 0.000 0.446 359 S N -0.365 115.299 115.700 -0.060 0.000 2.368 359 S HA -0.089 4.380 4.470 -0.002 0.000 0.224 359 S C 1.868 176.367 174.600 -0.169 0.000 1.029 359 S CA 1.298 59.450 58.200 -0.080 0.000 0.988 359 S CB -0.370 62.807 63.200 -0.039 0.000 0.838 359 S HN 0.390 nan 8.310 nan 0.000 0.462 360 I N 2.132 122.531 120.570 -0.286 0.000 2.315 360 I HA -0.032 4.137 4.170 -0.002 0.000 0.248 360 I C 2.819 178.516 176.117 -0.699 0.000 1.117 360 I CA 1.211 62.210 61.300 -0.502 0.000 1.404 360 I CB -1.978 35.597 38.000 -0.708 0.000 1.071 360 I HN 0.335 nan 8.210 nan 0.000 0.419 361 A N 1.077 123.525 122.820 -0.619 0.000 1.933 361 A HA -0.088 4.231 4.320 -0.002 0.000 0.218 361 A C 2.531 180.019 177.584 -0.160 0.000 1.175 361 A CA 1.899 53.754 52.037 -0.305 0.000 0.628 361 A CB -0.695 18.236 19.000 -0.115 0.000 0.814 361 A HN 0.408 nan 8.150 nan 0.000 0.444 362 A N -0.581 122.154 122.820 -0.142 0.000 2.015 362 A HA -0.059 4.260 4.320 -0.002 0.000 0.219 362 A C 1.989 179.520 177.584 -0.088 0.000 1.163 362 A CA 1.538 53.529 52.037 -0.077 0.000 0.646 362 A CB -0.260 18.708 19.000 -0.053 0.000 0.806 362 A HN 0.526 nan 8.150 nan 0.000 0.448 363 K N 0.076 120.391 120.400 -0.143 0.000 2.393 363 K HA 0.155 4.474 4.320 -0.002 0.000 0.193 363 K C -0.192 176.302 176.600 -0.177 0.000 1.026 363 K CA 0.055 56.275 56.287 -0.113 0.000 1.064 363 K CB 0.341 32.793 32.500 -0.080 0.000 0.833 363 K HN 0.294 nan 8.250 nan 0.000 0.521 364 S N 0.716 116.208 115.700 -0.347 0.000 2.480 364 S HA 0.292 4.761 4.470 -0.002 0.000 0.286 364 S C -0.503 173.922 174.600 -0.293 0.000 1.180 364 S CA -0.608 57.141 58.200 -0.752 0.000 1.075 364 S CB 1.716 64.181 63.200 -1.224 0.000 0.996 364 S HN 0.051 nan 8.310 nan 0.000 0.487 365 S N 1.617 117.227 115.700 -0.150 0.000 2.575 365 S HA 0.438 4.907 4.470 -0.002 0.000 0.278 365 S C -0.435 174.326 174.600 0.269 0.000 1.139 365 S CA -0.641 57.659 58.200 0.167 0.000 0.954 365 S CB 1.292 64.557 63.200 0.108 0.000 1.054 365 S HN 0.453 nan 8.310 nan 0.000 0.483 366 S N 3.535 119.401 115.700 0.276 0.000 2.481 366 S HA 0.200 4.669 4.470 -0.002 0.000 0.243 366 S C 1.103 175.771 174.600 0.114 0.000 1.152 366 S CA -0.487 57.842 58.200 0.214 0.000 1.168 366 S CB 0.242 63.559 63.200 0.195 0.000 0.835 366 S HN 0.720 nan 8.310 nan 0.000 0.474 367 E N 0.879 121.156 120.200 0.128 0.000 2.107 367 E HA -0.102 4.247 4.350 -0.002 0.000 0.191 367 E C 0.919 177.567 176.600 0.079 0.000 0.982 367 E CA 1.295 57.755 56.400 0.100 0.000 0.809 367 E CB 0.175 29.956 29.700 0.136 0.000 0.756 367 E HN 0.592 nan 8.360 nan 0.000 0.459 368 H N -1.233 117.859 119.070 0.037 0.000 2.393 368 H HA 0.397 4.952 4.556 -0.001 0.000 0.301 368 H C -0.050 175.290 175.328 0.020 0.000 1.019 368 H CA 0.848 56.910 56.048 0.025 0.000 1.311 368 H CB 0.699 30.476 29.762 0.025 0.000 1.475 368 H HN 0.071 nan 8.280 nan 0.000 0.572 369 A N 0.298 123.211 122.820 0.155 0.000 2.454 369 A HA 0.471 4.790 4.320 -0.002 0.000 0.302 369 A C -1.345 176.282 177.584 0.071 0.000 1.079 369 A CA -0.757 51.328 52.037 0.079 0.000 0.731 369 A CB 0.878 19.914 19.000 0.061 0.000 1.299 369 A HN 0.203 nan 8.150 nan 0.000 0.413 370 L N 1.771 123.016 121.223 0.037 0.000 2.562 370 L HA 0.161 4.500 4.340 -0.002 0.000 0.271 370 L C 0.326 177.215 176.870 0.032 0.000 1.167 370 L CA 0.721 55.593 54.840 0.052 0.000 0.917 370 L CB -0.716 41.344 42.059 0.002 0.000 1.187 370 L HN 0.759 nan 8.230 nan 0.000 0.482 371 H N 7.142 126.217 119.070 0.008 0.000 2.803 371 H HA 0.181 4.736 4.556 -0.002 0.000 0.330 371 H C -1.703 173.465 175.328 -0.266 0.000 1.057 371 H CA -0.891 55.068 56.048 -0.148 0.000 1.458 371 H CB 1.070 30.719 29.762 -0.188 0.000 1.470 371 H HN 0.551 nan 8.280 nan 0.000 0.560 372 P HA -0.216 nan 4.420 nan 0.000 0.216 372 P C 1.075 178.163 177.300 -0.353 0.000 1.150 372 P CA 1.236 64.002 63.100 -0.557 0.000 0.843 372 P CB -0.022 31.002 31.700 -1.126 0.000 0.787 373 F N -0.684 118.967 119.950 -0.498 0.000 2.206 373 F HA -0.186 4.340 4.527 -0.001 0.000 0.298 373 F C 2.362 178.114 175.800 -0.081 0.000 1.090 373 F CA 1.454 59.318 58.000 -0.227 0.000 1.323 373 F CB -0.332 38.479 39.000 -0.314 0.000 1.028 373 F HN -0.036 nan 8.300 nan 0.000 0.492 374 H N 0.023 119.083 119.070 -0.016 0.000 2.389 374 H HA -0.001 4.554 4.556 -0.001 0.000 0.299 374 H C 2.385 177.697 175.328 -0.026 0.000 1.081 374 H CA 1.124 57.131 56.048 -0.069 0.000 1.345 374 H CB -0.956 28.820 29.762 0.024 0.000 1.393 374 H HN 0.401 nan 8.280 nan 0.000 0.520 375 A N 0.417 123.312 122.820 0.126 0.000 1.933 375 A HA -0.135 4.184 4.320 -0.002 0.000 0.218 375 A C 2.664 180.377 177.584 0.216 0.000 1.175 375 A CA 1.677 53.825 52.037 0.184 0.000 0.628 375 A CB -0.478 18.507 19.000 -0.025 0.000 0.814 375 A HN 0.337 nan 8.150 nan 0.000 0.444 376 S N -0.360 115.372 115.700 0.054 0.000 2.402 376 S HA -0.175 4.294 4.470 -0.002 0.000 0.229 376 S C 2.058 176.647 174.600 -0.018 0.000 1.021 376 S CA 1.411 59.638 58.200 0.044 0.000 0.974 376 S CB -0.267 62.960 63.200 0.045 0.000 0.800 376 S HN 0.707 nan 8.310 nan 0.000 0.484 377 Q N 0.456 120.179 119.800 -0.128 0.000 2.079 377 Q HA -0.060 4.279 4.340 -0.002 0.000 0.200 377 Q C 2.274 178.255 176.000 -0.031 0.000 0.974 377 Q CA 1.245 56.983 55.803 -0.109 0.000 0.840 377 Q CB -0.353 28.295 28.738 -0.151 0.000 0.898 377 Q HN 0.360 nan 8.270 nan 0.000 0.430 378 V N 1.220 121.141 119.914 0.011 0.000 2.287 378 V HA -0.300 3.819 4.120 -0.002 0.000 0.248 378 V C 2.134 178.210 176.094 -0.032 0.000 1.053 378 V CA 1.793 64.066 62.300 -0.045 0.000 1.027 378 V CB -0.540 31.210 31.823 -0.122 0.000 0.646 378 V HN 0.350 nan 8.190 nan 0.000 0.447 379 I N 0.516 121.096 120.570 0.017 0.000 2.179 379 I HA -0.230 3.939 4.170 -0.002 0.000 0.242 379 I C 2.721 178.868 176.117 0.051 0.000 1.088 379 I CA 1.504 62.832 61.300 0.046 0.000 1.357 379 I CB -0.753 37.308 38.000 0.102 0.000 1.051 379 I HN 0.275 nan 8.210 nan 0.000 0.409 380 A N 0.774 123.604 122.820 0.016 0.000 1.948 380 A HA -0.241 4.078 4.320 -0.002 0.000 0.220 380 A C 2.257 179.808 177.584 -0.055 0.000 1.177 380 A CA 1.658 53.683 52.037 -0.020 0.000 0.636 380 A CB -0.478 18.502 19.000 -0.034 0.000 0.815 380 A HN 0.275 nan 8.150 nan 0.000 0.449 381 K N -0.720 119.627 120.400 -0.089 0.000 2.280 381 K HA -0.120 4.199 4.320 -0.002 0.000 0.202 381 K C 1.024 177.440 176.600 -0.307 0.000 1.047 381 K CA 1.104 57.269 56.287 -0.204 0.000 0.942 381 K CB -0.278 32.059 32.500 -0.271 0.000 0.739 381 K HN 0.714 nan 8.250 nan 0.000 0.457 382 H N -0.566 118.449 119.070 -0.091 0.000 2.586 382 H HA 0.132 4.687 4.556 -0.002 0.000 0.273 382 H C -0.164 175.124 175.328 -0.067 0.000 0.997 382 H CA -0.054 55.942 56.048 -0.087 0.000 1.177 382 H CB 0.732 30.430 29.762 -0.108 0.000 1.471 382 H HN -0.193 nan 8.280 nan 0.000 0.538 383 V N 4.000 123.926 119.914 0.020 0.000 2.385 383 V HA 0.125 4.244 4.120 -0.002 0.000 0.269 383 V C 0.041 176.119 176.094 -0.026 0.000 1.043 383 V CA -0.306 61.995 62.300 0.002 0.000 0.906 383 V CB 1.113 32.931 31.823 -0.008 0.000 0.995 383 V HN 0.443 nan 8.190 nan 0.000 0.467 384 D N 4.222 124.611 120.400 -0.018 0.000 2.895 384 D HA 0.501 5.140 4.640 -0.002 0.000 0.320 384 D C 0.908 177.196 176.300 -0.021 0.000 1.249 384 D CA -0.038 53.944 54.000 -0.029 0.000 0.997 384 D CB 1.206 41.986 40.800 -0.033 0.000 1.430 384 D HN 0.342 nan 8.370 nan 0.000 0.558 385 A N -0.731 122.075 122.820 -0.024 0.000 2.125 385 A HA 0.215 4.534 4.320 -0.002 0.000 0.219 385 A C 1.779 179.354 177.584 -0.015 0.000 1.156 385 A CA 1.633 53.657 52.037 -0.020 0.000 0.671 385 A CB -1.281 17.705 19.000 -0.023 0.000 0.794 385 A HN 0.625 nan 8.150 nan 0.000 0.459 386 G N -1.211 107.582 108.800 -0.012 0.000 3.233 386 G HA2 0.408 4.367 3.960 -0.002 0.000 0.227 386 G HA3 0.408 4.367 3.960 -0.002 0.000 0.227 386 G C -0.099 174.798 174.900 -0.005 0.000 1.175 386 G CA 0.325 45.419 45.100 -0.009 0.000 0.781 386 G HN 0.231 nan 8.290 nan 0.000 0.542 387 V N 0.420 120.332 119.914 -0.003 0.000 2.638 387 V HA 0.418 4.537 4.120 -0.002 0.000 0.306 387 V C -0.448 175.652 176.094 0.009 0.000 1.052 387 V CA -0.669 61.633 62.300 0.002 0.000 0.885 387 V CB 2.060 33.889 31.823 0.009 0.000 0.999 387 V HN 0.049 nan 8.190 nan 0.000 0.424 388 T N 4.094 118.650 114.554 0.004 0.000 2.749 388 T HA 0.504 4.853 4.350 -0.002 0.000 0.287 388 T C -0.236 174.475 174.700 0.018 0.000 0.970 388 T CA -0.303 61.803 62.100 0.009 0.000 0.980 388 T CB 1.358 70.214 68.868 -0.020 0.000 0.924 388 T HN 0.355 nan 8.240 nan 0.000 0.456 389 V N 4.758 124.716 119.914 0.074 0.000 2.370 389 V HA 0.357 4.476 4.120 -0.002 0.000 0.279 389 V C 0.043 176.134 176.094 -0.004 0.000 1.029 389 V CA -0.656 61.703 62.300 0.099 0.000 0.870 389 V CB 1.392 33.366 31.823 0.252 0.000 0.984 389 V HN 0.680 nan 8.190 nan 0.000 0.451 390 V N 4.431 124.285 119.914 -0.099 0.000 2.398 390 V HA 0.778 4.897 4.120 -0.002 0.000 0.286 390 V C 0.358 176.304 176.094 -0.247 0.000 1.026 390 V CA -0.487 61.672 62.300 -0.235 0.000 0.868 390 V CB 1.599 33.290 31.823 -0.220 0.000 0.982 390 V HN 0.951 nan 8.190 nan 0.000 0.443 391 A N 3.467 126.048 122.820 -0.399 0.000 2.318 391 A HA 0.769 5.089 4.320 -0.002 0.000 0.317 391 A C -0.625 176.676 177.584 -0.472 0.000 1.159 391 A CA -0.379 51.466 52.037 -0.320 0.000 0.799 391 A CB 1.197 20.041 19.000 -0.260 0.000 1.194 391 A HN 0.762 nan 8.150 nan 0.000 0.479 392 D N 0.908 121.138 120.400 -0.283 0.000 2.758 392 D HA 0.706 5.345 4.640 -0.002 0.000 0.262 392 D C 0.690 177.047 176.300 0.095 0.000 1.113 392 D CA 0.888 54.734 54.000 -0.256 0.000 1.114 392 D CB 1.737 42.428 40.800 -0.182 0.000 1.363 392 D HN 1.450 nan 8.370 nan 0.000 0.617 393 G N -0.971 107.967 108.800 0.231 0.000 2.750 393 G HA2 0.201 4.160 3.960 -0.002 0.000 0.228 393 G HA3 0.201 4.160 3.960 -0.002 0.000 0.228 393 G C 0.160 175.312 174.900 0.420 0.000 1.367 393 G CA 0.642 45.897 45.100 0.259 0.000 0.871 393 G HN 0.861 nan 8.290 nan 0.000 0.560 394 A N -1.727 121.248 122.820 0.259 0.000 2.083 394 A HA 0.655 4.974 4.320 -0.002 0.000 0.209 394 A C 2.464 179.969 177.584 -0.131 0.000 1.969 394 A CA 1.074 53.206 52.037 0.159 0.000 0.933 394 A CB -0.428 18.637 19.000 0.108 0.000 1.304 394 A HN 1.119 nan 8.150 nan 0.000 0.621 395 L N 0.577 121.760 121.223 -0.067 0.000 2.079 395 L HA -0.173 4.166 4.340 -0.002 0.000 0.210 395 L C 2.675 179.607 176.870 0.103 0.000 1.081 395 L CA 1.790 56.597 54.840 -0.055 0.000 0.752 395 L CB -0.867 41.196 42.059 0.008 0.000 0.896 395 L HN 0.428 nan 8.230 nan 0.000 0.433 396 T N -0.466 114.162 114.554 0.123 0.000 2.635 396 T HA -0.274 4.075 4.350 -0.002 0.000 0.267 396 T C 1.677 176.495 174.700 0.197 0.000 1.040 396 T CA 2.281 64.482 62.100 0.167 0.000 1.156 396 T CB -0.463 68.479 68.868 0.123 0.000 0.863 396 T HN 0.571 nan 8.240 nan 0.000 0.430 397 Y N 1.153 121.514 120.300 0.103 0.000 2.337 397 Y HA 0.251 4.800 4.550 -0.002 0.000 0.293 397 Y C 1.918 177.874 175.900 0.093 0.000 1.123 397 Y CA 0.395 58.535 58.100 0.067 0.000 1.201 397 Y CB -0.880 37.558 38.460 -0.036 0.000 1.011 397 Y HN 0.103 nan 8.280 nan 0.000 0.545 398 L N -1.200 119.683 121.223 -0.566 0.000 2.083 398 L HA -0.150 4.189 4.340 -0.002 0.000 0.209 398 L C 2.106 178.878 176.870 -0.162 0.000 1.083 398 L CA 1.536 56.108 54.840 -0.447 0.000 0.752 398 L CB -0.605 41.094 42.059 -0.599 0.000 0.899 398 L HN 0.324 nan 8.230 nan 0.000 0.433 399 W N -0.681 120.614 121.300 -0.009 0.000 2.453 399 W HA -0.131 4.528 4.660 -0.001 0.000 0.289 399 W C 2.315 178.933 176.519 0.165 0.000 1.215 399 W CA 0.012 57.422 57.345 0.108 0.000 1.297 399 W CB -0.068 29.452 29.460 0.101 0.000 1.113 399 W HN 0.035 nan 8.180 nan 0.000 0.551 400 L N 0.883 122.326 121.223 0.368 0.000 2.141 400 L HA -0.183 4.156 4.340 -0.002 0.000 0.209 400 L C 2.601 179.617 176.870 0.244 0.000 1.094 400 L CA 2.300 57.310 54.840 0.284 0.000 0.763 400 L CB -1.005 41.213 42.059 0.266 0.000 0.908 400 L HN -0.028 nan 8.230 nan 0.000 0.437 401 S N -1.552 114.307 115.700 0.266 0.000 2.442 401 S HA -0.151 4.318 4.470 -0.002 0.000 0.236 401 S C 1.675 176.401 174.600 0.210 0.000 1.007 401 S CA 0.990 59.339 58.200 0.249 0.000 0.965 401 S CB -0.567 62.863 63.200 0.384 0.000 0.773 401 S HN 0.535 nan 8.310 nan 0.000 0.504 402 E N 1.309 121.677 120.200 0.281 0.000 2.208 402 E HA -0.014 4.335 4.350 -0.002 0.000 0.193 402 E C 2.203 179.054 176.600 0.418 0.000 0.988 402 E CA 1.282 57.903 56.400 0.368 0.000 0.828 402 E CB -0.264 29.747 29.700 0.518 0.000 0.763 402 E HN 0.758 nan 8.360 nan 0.000 0.478 403 V N -2.972 117.119 119.914 0.295 0.000 3.644 403 V HA 0.110 4.229 4.120 -0.002 0.000 0.267 403 V C 1.839 177.931 176.094 -0.004 0.000 1.277 403 V CA 0.124 62.533 62.300 0.181 0.000 1.096 403 V CB 0.054 31.948 31.823 0.118 0.000 0.828 403 V HN -0.028 nan 8.190 nan 0.000 0.446 404 M N 2.325 121.894 119.600 -0.050 0.000 2.349 404 M HA 0.054 4.533 4.480 -0.002 0.000 0.266 404 M C 2.213 178.394 176.300 -0.199 0.000 1.076 404 M CA 1.810 56.980 55.300 -0.216 0.000 1.126 404 M CB -0.921 31.377 32.600 -0.504 0.000 1.392 404 M HN 0.739 nan 8.290 nan 0.000 0.440 405 S N 0.472 116.100 115.700 -0.119 0.000 2.603 405 S HA -0.001 4.468 4.470 -0.002 0.000 0.220 405 S C 1.484 175.999 174.600 -0.142 0.000 0.967 405 S CA 0.036 58.166 58.200 -0.116 0.000 0.920 405 S CB -0.382 62.787 63.200 -0.051 0.000 0.773 405 S HN 0.640 nan 8.310 nan 0.000 0.529 406 R N 0.725 121.127 120.500 -0.164 0.000 2.476 406 R HA 0.342 4.681 4.340 -0.002 0.000 0.276 406 R C 0.292 176.490 176.300 -0.170 0.000 0.941 406 R CA 0.024 56.008 56.100 -0.195 0.000 1.088 406 R CB -0.128 29.994 30.300 -0.297 0.000 1.216 406 R HN 0.393 nan 8.270 nan 0.000 0.533 407 V N -1.094 118.729 119.914 -0.152 0.000 3.093 407 V HA 0.530 4.649 4.120 -0.002 0.000 0.320 407 V C -0.515 175.510 176.094 -0.115 0.000 1.093 407 V CA -1.234 60.990 62.300 -0.126 0.000 1.016 407 V CB 1.883 33.640 31.823 -0.111 0.000 1.096 407 V HN 0.030 nan 8.190 nan 0.000 0.452 408 K N 2.479 122.825 120.400 -0.090 0.000 2.606 408 K HA 0.421 4.740 4.320 -0.002 0.000 0.196 408 K C -2.763 173.805 176.600 -0.053 0.000 1.048 408 K CA -1.533 54.709 56.287 -0.075 0.000 1.017 408 K CB 1.104 33.563 32.500 -0.068 0.000 1.413 408 K HN 0.584 nan 8.250 nan 0.000 0.568 409 P HA -0.010 nan 4.420 nan 0.000 0.271 409 P C 0.697 177.997 177.300 0.000 0.000 1.218 409 P CA 0.047 63.140 63.100 -0.011 0.000 0.780 409 P CB 1.232 32.942 31.700 0.016 0.000 0.901 410 G N 1.568 110.370 108.800 0.003 0.000 2.443 410 G HA2 0.162 4.122 3.960 -0.002 0.000 0.219 410 G HA3 0.162 4.122 3.960 -0.002 0.000 0.219 410 G C 0.653 175.558 174.900 0.008 0.000 1.131 410 G CA 0.640 45.739 45.100 -0.002 0.000 0.775 410 G HN 0.832 nan 8.290 nan 0.000 0.547 411 G N -1.543 107.277 108.800 0.034 0.000 2.742 411 G HA2 0.458 4.417 3.960 -0.002 0.000 0.296 411 G HA3 0.458 4.417 3.960 -0.002 0.000 0.296 411 G C -2.096 172.891 174.900 0.145 0.000 1.436 411 G CA -0.721 44.410 45.100 0.051 0.000 0.928 411 G HN 0.175 nan 8.290 nan 0.000 0.520 412 F N 2.675 122.599 119.950 -0.043 0.000 2.716 412 F HA 0.581 5.107 4.527 -0.002 0.000 0.354 412 F C -0.987 174.777 175.800 -0.061 0.000 1.168 412 F CA -1.300 56.675 58.000 -0.042 0.000 1.045 412 F CB 1.258 40.254 39.000 -0.007 0.000 1.311 412 F HN 0.298 nan 8.300 nan 0.000 0.477 413 L N 7.082 127.998 121.223 -0.512 0.000 2.313 413 L HA 0.425 4.764 4.340 -0.002 0.000 0.273 413 L C -0.112 176.311 176.870 -0.744 0.000 1.028 413 L CA -0.504 54.037 54.840 -0.499 0.000 0.871 413 L CB 0.796 42.675 42.059 -0.301 0.000 1.242 413 L HN 0.624 nan 8.230 nan 0.000 0.434 414 C N 1.379 120.166 119.300 -0.855 0.000 2.656 414 C HA 0.467 4.927 4.460 -0.002 0.000 0.404 414 C C 0.681 175.278 174.990 -0.655 0.000 1.423 414 C CA -0.467 57.999 59.018 -0.920 0.000 1.784 414 C CB 1.209 28.240 27.740 -1.182 0.000 2.093 414 C HN 0.750 nan 8.230 nan 0.000 0.492 415 H N -0.080 118.590 119.070 -0.668 0.000 2.897 415 H HA 0.373 4.928 4.556 -0.002 0.000 0.347 415 H C 0.839 175.999 175.328 -0.279 0.000 1.068 415 H CA 1.241 57.002 56.048 -0.478 0.000 1.426 415 H CB 0.615 30.020 29.762 -0.594 0.000 1.410 415 H HN 0.829 nan 8.280 nan 0.000 0.597 416 G N 0.964 109.737 108.800 -0.045 0.000 2.945 416 G HA2 -0.027 3.932 3.960 -0.002 0.000 0.156 416 G HA3 -0.027 3.932 3.960 -0.002 0.000 0.156 416 G C -0.094 174.822 174.900 0.028 0.000 1.375 416 G CA -0.364 44.680 45.100 -0.093 0.000 1.039 416 G HN 0.587 nan 8.290 nan 0.000 0.586 417 Y N -0.234 120.077 120.300 0.019 0.000 2.293 417 Y HA 0.108 4.657 4.550 -0.001 0.000 0.291 417 Y C 2.662 178.569 175.900 0.012 0.000 1.137 417 Y CA 0.075 58.189 58.100 0.023 0.000 1.202 417 Y CB -0.612 37.859 38.460 0.019 0.000 0.990 417 Y HN 0.115 nan 8.280 nan 0.000 0.537 418 L N -0.585 120.728 121.223 0.151 0.000 2.083 418 L HA -0.111 4.228 4.340 -0.002 0.000 0.209 418 L C 1.657 178.520 176.870 -0.013 0.000 1.083 418 L CA 1.625 56.509 54.840 0.074 0.000 0.752 418 L CB -0.918 41.178 42.059 0.062 0.000 0.899 418 L HN 0.500 nan 8.230 nan 0.000 0.433 419 G N 0.277 109.034 108.800 -0.072 0.000 2.283 419 G HA2 -0.311 3.648 3.960 -0.002 0.000 0.280 419 G HA3 -0.311 3.648 3.960 -0.002 0.000 0.280 419 G C 0.354 175.003 174.900 -0.419 0.000 1.029 419 G CA 0.756 45.677 45.100 -0.298 0.000 0.840 419 G HN 0.419 nan 8.290 nan 0.000 0.505 420 S N 0.432 115.974 115.700 -0.264 0.000 2.448 420 S HA 0.556 5.025 4.470 -0.002 0.000 0.279 420 S C 1.210 175.656 174.600 -0.256 0.000 1.195 420 S CA -0.666 57.402 58.200 -0.220 0.000 1.051 420 S CB -0.030 63.096 63.200 -0.123 0.000 0.948 420 S HN 0.285 nan 8.310 nan 0.000 0.493 421 M N 4.363 123.791 119.600 -0.286 0.000 2.238 421 M HA 0.221 4.700 4.480 -0.002 0.000 0.350 421 M C 1.560 177.503 176.300 -0.595 0.000 1.321 421 M CA 0.931 56.105 55.300 -0.210 0.000 1.097 421 M CB -0.245 32.361 32.600 0.011 0.000 1.713 421 M HN 1.037 nan 8.290 nan 0.000 0.455 422 G N 2.004 110.621 108.800 -0.305 0.000 2.201 422 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.212 422 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.212 422 G C 0.488 175.238 174.900 -0.249 0.000 0.994 422 G CA 0.307 45.216 45.100 -0.318 0.000 0.644 422 G HN 0.751 nan 8.290 nan 0.000 0.508 423 V N -0.206 119.488 119.914 -0.366 0.000 2.970 423 V HA 0.344 4.463 4.120 -0.002 0.000 0.260 423 V C 2.429 178.247 176.094 -0.459 0.000 1.100 423 V CA 2.253 64.129 62.300 -0.707 0.000 1.122 423 V CB -0.724 30.607 31.823 -0.819 0.000 0.721 423 V HN 0.940 nan 8.190 nan 0.000 0.483 424 G N -0.699 107.931 108.800 -0.284 0.000 2.422 424 G HA2 -0.205 3.754 3.960 -0.002 0.000 0.218 424 G HA3 -0.205 3.754 3.960 -0.002 0.000 0.218 424 G C 1.298 176.109 174.900 -0.147 0.000 1.140 424 G CA 0.921 45.868 45.100 -0.255 0.000 0.775 424 G HN 0.490 nan 8.290 nan 0.000 0.545 425 F N 2.253 122.090 119.950 -0.188 0.000 2.051 425 F HA 0.029 4.555 4.527 -0.002 0.000 0.296 425 F C 2.716 178.428 175.800 -0.147 0.000 1.122 425 F CA 1.394 59.292 58.000 -0.170 0.000 1.201 425 F CB -0.725 38.178 39.000 -0.161 0.000 0.978 425 F HN 0.138 nan 8.300 nan 0.000 0.472 426 G N -1.245 107.659 108.800 0.173 0.000 2.446 426 G HA2 -0.264 3.695 3.960 -0.002 0.000 0.217 426 G HA3 -0.264 3.695 3.960 -0.002 0.000 0.217 426 G C 1.678 176.581 174.900 0.004 0.000 1.168 426 G CA 1.506 46.664 45.100 0.097 0.000 0.771 426 G HN 0.370 nan 8.290 nan 0.000 0.551 427 T N 1.791 116.321 114.554 -0.041 0.000 2.653 427 T HA -0.140 4.209 4.350 -0.002 0.000 0.268 427 T C 2.770 177.398 174.700 -0.120 0.000 1.035 427 T CA 1.959 63.993 62.100 -0.109 0.000 1.154 427 T CB -0.476 68.284 68.868 -0.179 0.000 0.862 427 T HN 0.405 nan 8.240 nan 0.000 0.441 428 A N 0.772 123.521 122.820 -0.118 0.000 1.930 428 A HA 0.082 4.401 4.320 -0.002 0.000 0.217 428 A C 2.302 179.849 177.584 -0.063 0.000 1.175 428 A CA 1.165 53.132 52.037 -0.116 0.000 0.627 428 A CB -0.806 18.089 19.000 -0.176 0.000 0.815 428 A HN 0.497 nan 8.150 nan 0.000 0.443 429 L N -0.481 120.733 121.223 -0.016 0.000 2.017 429 L HA -0.105 4.234 4.340 -0.002 0.000 0.208 429 L C 2.465 179.343 176.870 0.014 0.000 1.073 429 L CA 1.811 56.672 54.840 0.034 0.000 0.745 429 L CB -0.540 41.571 42.059 0.087 0.000 0.894 429 L HN 0.383 nan 8.230 nan 0.000 0.432 430 G N -1.284 107.442 108.800 -0.123 0.000 2.408 430 G HA2 -0.216 3.743 3.960 -0.002 0.000 0.217 430 G HA3 -0.216 3.743 3.960 -0.002 0.000 0.217 430 G C 1.616 176.512 174.900 -0.006 0.000 1.150 430 G CA 0.611 45.551 45.100 -0.267 0.000 0.776 430 G HN 0.577 nan 8.290 nan 0.000 0.542 431 A N 0.335 123.126 122.820 -0.048 0.000 1.902 431 A HA -0.112 4.207 4.320 -0.002 0.000 0.217 431 A C 2.298 179.880 177.584 -0.003 0.000 1.181 431 A CA 2.253 54.267 52.037 -0.038 0.000 0.623 431 A CB -0.420 18.535 19.000 -0.076 0.000 0.818 431 A HN 0.404 nan 8.150 nan 0.000 0.443 432 Q N -0.080 119.728 119.800 0.014 0.000 2.124 432 Q HA -0.089 4.250 4.340 -0.002 0.000 0.202 432 Q C 1.825 177.859 176.000 0.056 0.000 0.977 432 Q CA 1.945 57.765 55.803 0.028 0.000 0.850 432 Q CB -0.573 28.184 28.738 0.032 0.000 0.901 432 Q HN 0.366 nan 8.270 nan 0.000 0.429 433 V N 0.552 120.534 119.914 0.113 0.000 2.343 433 V HA -0.265 3.854 4.120 -0.002 0.000 0.247 433 V C 2.259 178.400 176.094 0.080 0.000 1.051 433 V CA 1.833 64.201 62.300 0.113 0.000 1.036 433 V CB -1.281 30.676 31.823 0.224 0.000 0.654 433 V HN 0.504 nan 8.190 nan 0.000 0.451 434 A N -0.378 122.511 122.820 0.115 0.000 1.969 434 A HA -0.210 4.109 4.320 -0.002 0.000 0.218 434 A C 1.970 179.513 177.584 -0.068 0.000 1.169 434 A CA 1.797 53.772 52.037 -0.102 0.000 0.635 434 A CB -0.502 18.290 19.000 -0.346 0.000 0.810 434 A HN 0.530 nan 8.150 nan 0.000 0.445 435 D N -0.394 119.988 120.400 -0.030 0.000 2.183 435 D HA -0.058 4.581 4.640 -0.002 0.000 0.203 435 D C 1.680 177.980 176.300 -0.001 0.000 0.969 435 D CA 0.623 54.610 54.000 -0.021 0.000 0.842 435 D CB -0.203 40.588 40.800 -0.015 0.000 0.957 435 D HN 0.271 nan 8.370 nan 0.000 0.484 436 L N 1.290 122.522 121.223 0.015 0.000 2.079 436 L HA -0.162 4.177 4.340 -0.002 0.000 0.210 436 L C 2.119 179.010 176.870 0.034 0.000 1.081 436 L CA 1.516 56.374 54.840 0.030 0.000 0.752 436 L CB -0.431 41.654 42.059 0.044 0.000 0.896 436 L HN 0.038 nan 8.230 nan 0.000 0.433 437 E N -1.026 119.193 120.200 0.032 0.000 2.047 437 E HA -0.152 4.197 4.350 -0.002 0.000 0.191 437 E C 1.980 178.591 176.600 0.019 0.000 0.987 437 E CA 1.186 57.611 56.400 0.041 0.000 0.799 437 E CB -0.257 29.472 29.700 0.047 0.000 0.752 437 E HN 0.492 nan 8.360 nan 0.000 0.449 438 A N 0.188 123.008 122.820 -0.001 0.000 2.251 438 A HA 0.311 4.630 4.320 -0.002 0.000 0.209 438 A C 1.519 179.101 177.584 -0.002 0.000 1.187 438 A CA 0.622 52.654 52.037 -0.008 0.000 0.823 438 A CB -0.187 18.798 19.000 -0.025 0.000 0.846 438 A HN 0.310 nan 8.150 nan 0.000 0.486 439 G N -0.214 108.589 108.800 0.005 0.000 2.198 439 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.257 439 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.257 439 G C 0.148 175.050 174.900 0.002 0.000 1.042 439 G CA 0.380 45.484 45.100 0.007 0.000 0.791 439 G HN 0.637 nan 8.290 nan 0.000 0.502 440 R N -1.283 119.216 120.500 -0.001 0.000 2.758 440 R HA 0.758 5.097 4.340 -0.002 0.000 0.265 440 R C 0.084 176.383 176.300 -0.001 0.000 1.016 440 R CA -1.086 55.011 56.100 -0.005 0.000 1.040 440 R CB 1.112 31.404 30.300 -0.012 0.000 1.152 440 R HN 0.143 nan 8.270 nan 0.000 0.503 441 R N 0.003 120.500 120.500 -0.003 0.000 2.514 441 R HA 0.305 4.644 4.340 -0.002 0.000 0.301 441 R C -1.213 175.081 176.300 -0.010 0.000 0.962 441 R CA -0.173 55.925 56.100 -0.004 0.000 0.882 441 R CB 1.704 32.000 30.300 -0.008 0.000 1.143 441 R HN 0.565 nan 8.270 nan 0.000 0.452 442 T N 4.892 119.439 114.554 -0.013 0.000 2.795 442 T HA 0.536 4.885 4.350 -0.002 0.000 0.282 442 T C -0.076 174.603 174.700 -0.035 0.000 0.980 442 T CA -0.413 61.672 62.100 -0.026 0.000 1.012 442 T CB 0.621 69.470 68.868 -0.032 0.000 0.936 442 T HN 0.401 nan 8.240 nan 0.000 0.457 443 I N 3.527 124.073 120.570 -0.039 0.000 2.447 443 I HA 0.342 4.511 4.170 -0.002 0.000 0.287 443 I C -0.901 175.177 176.117 -0.065 0.000 1.023 443 I CA -1.017 60.257 61.300 -0.044 0.000 1.083 443 I CB 1.828 39.815 38.000 -0.023 0.000 1.245 443 I HN 0.360 nan 8.210 nan 0.000 0.434 444 L N 8.764 129.922 121.223 -0.110 0.000 2.276 444 L HA 0.518 4.857 4.340 -0.002 0.000 0.286 444 L C -0.679 176.130 176.870 -0.102 0.000 1.061 444 L CA -0.134 54.612 54.840 -0.156 0.000 0.807 444 L CB 1.369 43.254 42.059 -0.290 0.000 1.177 444 L HN 0.327 nan 8.230 nan 0.000 0.429 445 V N 4.993 124.865 119.914 -0.071 0.000 2.313 445 V HA 0.540 4.659 4.120 -0.002 0.000 0.278 445 V C 0.246 176.315 176.094 -0.042 0.000 1.017 445 V CA -0.312 61.978 62.300 -0.017 0.000 0.823 445 V CB 0.761 32.618 31.823 0.055 0.000 1.010 445 V HN 0.915 nan 8.190 nan 0.000 0.443 446 T N 3.256 117.778 114.554 -0.054 0.000 2.907 446 T HA 0.771 5.121 4.350 -0.002 0.000 0.290 446 T C 0.254 174.933 174.700 -0.035 0.000 1.066 446 T CA 0.106 62.175 62.100 -0.052 0.000 1.012 446 T CB 1.924 70.734 68.868 -0.095 0.000 1.184 446 T HN 0.826 nan 8.240 nan 0.000 0.522 447 G N 0.503 109.292 108.800 -0.017 0.000 2.477 447 G HA2 0.356 4.315 3.960 -0.002 0.000 0.304 447 G HA3 0.356 4.315 3.960 -0.002 0.000 0.304 447 G C 0.837 175.639 174.900 -0.163 0.000 1.175 447 G CA -0.185 44.885 45.100 -0.051 0.000 0.907 447 G HN 0.820 nan 8.290 nan 0.000 0.509 448 D N 0.180 120.434 120.400 -0.243 0.000 2.178 448 D HA -0.096 4.544 4.640 -0.002 0.000 0.201 448 D C 2.063 178.078 176.300 -0.476 0.000 0.980 448 D CA 1.264 54.986 54.000 -0.465 0.000 0.842 448 D CB -0.643 39.978 40.800 -0.298 0.000 0.948 448 D HN 0.464 nan 8.370 nan 0.000 0.472 449 G N 0.560 109.065 108.800 -0.492 0.000 2.414 449 G HA2 -0.217 3.742 3.960 -0.002 0.000 0.215 449 G HA3 -0.217 3.742 3.960 -0.002 0.000 0.215 449 G C 1.866 176.619 174.900 -0.245 0.000 1.188 449 G CA 0.991 45.535 45.100 -0.926 0.000 0.783 449 G HN 0.342 nan 8.290 nan 0.000 0.537 450 S N -0.259 115.485 115.700 0.074 0.000 2.382 450 S HA -0.104 4.365 4.470 -0.002 0.000 0.228 450 S C 2.302 177.072 174.600 0.283 0.000 1.027 450 S CA 0.977 59.362 58.200 0.307 0.000 0.991 450 S CB -0.252 63.050 63.200 0.171 0.000 0.823 450 S HN 0.158 nan 8.310 nan 0.000 0.469 451 V N 1.996 121.967 119.914 0.094 0.000 2.626 451 V HA -0.074 4.045 4.120 -0.002 0.000 0.252 451 V C 2.185 178.412 176.094 0.221 0.000 1.067 451 V CA 1.825 64.214 62.300 0.149 0.000 1.081 451 V CB -0.974 30.850 31.823 0.002 0.000 0.686 451 V HN 0.559 nan 8.190 nan 0.000 0.468 452 G N -1.934 106.955 108.800 0.147 0.000 2.509 452 G HA2 -0.252 3.707 3.960 -0.002 0.000 0.218 452 G HA3 -0.252 3.707 3.960 -0.002 0.000 0.218 452 G C 1.273 176.248 174.900 0.124 0.000 1.124 452 G CA 0.816 46.007 45.100 0.152 0.000 0.776 452 G HN 0.584 nan 8.290 nan 0.000 0.547 453 Y N 1.278 121.652 120.300 0.123 0.000 2.181 453 Y HA -0.027 4.522 4.550 -0.002 0.000 0.288 453 Y C 2.148 178.045 175.900 -0.004 0.000 1.146 453 Y CA 1.676 59.824 58.100 0.079 0.000 1.164 453 Y CB 0.384 38.889 38.460 0.076 0.000 0.982 453 Y HN 0.136 nan 8.280 nan 0.000 0.515 454 S N -0.944 114.824 115.700 0.114 0.000 2.902 454 S HA 0.166 4.635 4.470 -0.002 0.000 0.250 454 S C 1.116 175.449 174.600 -0.445 0.000 1.046 454 S CA -0.316 57.792 58.200 -0.152 0.000 1.069 454 S CB -0.089 62.993 63.200 -0.195 0.000 0.967 454 S HN 0.337 nan 8.310 nan 0.000 0.530 455 I N 1.982 122.486 120.570 -0.111 0.000 2.700 455 I HA -0.091 4.078 4.170 -0.002 0.000 0.261 455 I C 2.077 178.175 176.117 -0.033 0.000 1.219 455 I CA 0.946 62.273 61.300 0.045 0.000 1.463 455 I CB -0.032 38.179 38.000 0.351 0.000 1.092 455 I HN 0.505 nan 8.210 nan 0.000 0.452 456 G N -0.169 108.522 108.800 -0.183 0.000 2.679 456 G HA2 -0.151 3.808 3.960 -0.002 0.000 0.212 456 G HA3 -0.151 3.808 3.960 -0.002 0.000 0.212 456 G C 1.300 175.808 174.900 -0.652 0.000 1.137 456 G CA 0.081 44.926 45.100 -0.424 0.000 0.787 456 G HN 0.315 nan 8.290 nan 0.000 0.534 457 E N 0.236 120.002 120.200 -0.724 0.000 2.482 457 E HA 0.029 4.378 4.350 -0.002 0.000 0.196 457 E C 1.672 177.985 176.600 -0.479 0.000 1.047 457 E CA -0.068 55.913 56.400 -0.697 0.000 0.869 457 E CB -0.270 28.841 29.700 -0.982 0.000 0.836 457 E HN 0.596 nan 8.360 nan 0.000 0.520 458 F N 1.203 120.954 119.950 -0.330 0.000 2.216 458 F HA -0.204 4.322 4.527 -0.002 0.000 0.300 458 F C 2.211 177.940 175.800 -0.119 0.000 1.085 458 F CA 1.273 59.261 58.000 -0.021 0.000 1.326 458 F CB -0.055 39.046 39.000 0.168 0.000 1.027 458 F HN 0.054 nan 8.300 nan 0.000 0.497 459 D N -0.305 119.911 120.400 -0.306 0.000 2.104 459 D HA -0.166 4.473 4.640 -0.002 0.000 0.194 459 D C 2.053 178.326 176.300 -0.044 0.000 0.994 459 D CA 2.020 55.907 54.000 -0.187 0.000 0.830 459 D CB -0.186 40.370 40.800 -0.407 0.000 0.959 459 D HN 0.094 nan 8.370 nan 0.000 0.452 460 T N 0.113 114.614 114.554 -0.088 0.000 2.746 460 T HA -0.114 4.235 4.350 -0.002 0.000 0.267 460 T C 1.815 176.544 174.700 0.048 0.000 1.039 460 T CA 0.645 62.737 62.100 -0.013 0.000 1.142 460 T CB -0.296 68.555 68.868 -0.029 0.000 0.866 460 T HN 0.052 nan 8.240 nan 0.000 0.444 461 L N 0.938 122.205 121.223 0.073 0.000 2.013 461 L HA -0.097 4.242 4.340 -0.002 0.000 0.212 461 L C 2.613 179.563 176.870 0.132 0.000 1.073 461 L CA 1.409 56.326 54.840 0.129 0.000 0.753 461 L CB -1.018 41.160 42.059 0.199 0.000 0.890 461 L HN 0.147 nan 8.230 nan 0.000 0.432 462 V N -1.049 118.951 119.914 0.142 0.000 2.323 462 V HA -0.221 3.898 4.120 -0.002 0.000 0.244 462 V C 2.606 178.758 176.094 0.097 0.000 1.041 462 V CA 1.447 63.826 62.300 0.131 0.000 1.025 462 V CB -0.528 31.388 31.823 0.155 0.000 0.656 462 V HN 0.384 nan 8.190 nan 0.000 0.451 463 R N 0.310 120.860 120.500 0.083 0.000 2.091 463 R HA -0.114 4.225 4.340 -0.002 0.000 0.238 463 R C 2.014 178.353 176.300 0.064 0.000 1.136 463 R CA 1.099 57.240 56.100 0.067 0.000 0.959 463 R CB -0.193 30.140 30.300 0.055 0.000 0.856 463 R HN 0.360 nan 8.270 nan 0.000 0.437 464 K N 0.561 121.002 120.400 0.069 0.000 2.404 464 K HA 0.046 4.365 4.320 -0.002 0.000 0.194 464 K C 0.040 176.684 176.600 0.073 0.000 1.023 464 K CA 0.162 56.490 56.287 0.068 0.000 1.094 464 K CB 0.448 32.992 32.500 0.073 0.000 0.841 464 K HN 0.226 nan 8.250 nan 0.000 0.523 465 Q N 0.730 120.577 119.800 0.079 0.000 2.452 465 Q HA -0.169 4.170 4.340 -0.002 0.000 0.318 465 Q C -0.943 175.108 176.000 0.084 0.000 1.386 465 Q CA 0.277 56.129 55.803 0.081 0.000 0.872 465 Q CB -1.885 26.895 28.738 0.069 0.000 1.151 465 Q HN 0.273 nan 8.270 nan 0.000 0.417 466 L N 1.605 122.884 121.223 0.094 0.000 2.257 466 L HA 0.291 4.630 4.340 -0.002 0.000 0.290 466 L C -1.298 175.630 176.870 0.096 0.000 1.044 466 L CA -1.938 52.956 54.840 0.091 0.000 0.810 466 L CB 0.592 42.708 42.059 0.095 0.000 1.193 466 L HN -0.020 nan 8.230 nan 0.000 0.425 467 P HA -0.016 nan 4.420 nan 0.000 0.258 467 P C -0.024 177.322 177.300 0.076 0.000 1.559 467 P CA -0.293 62.861 63.100 0.089 0.000 0.855 467 P CB -0.020 31.725 31.700 0.075 0.000 1.594 468 L N 0.720 121.986 121.223 0.071 0.000 2.490 468 L HA 0.104 4.443 4.340 -0.002 0.000 0.274 468 L C 0.002 176.902 176.870 0.051 0.000 1.201 468 L CA 0.226 55.086 54.840 0.033 0.000 0.869 468 L CB -0.203 41.855 42.059 -0.002 0.000 1.123 468 L HN -0.062 nan 8.230 nan 0.000 0.484 469 I N 5.951 126.529 120.570 0.014 0.000 2.312 469 I HA 0.252 4.421 4.170 -0.002 0.000 0.290 469 I C -0.619 175.490 176.117 -0.013 0.000 1.008 469 I CA -0.614 60.706 61.300 0.034 0.000 1.226 469 I CB 1.343 39.344 38.000 0.001 0.000 1.371 469 I HN 0.265 nan 8.210 nan 0.000 0.468 470 V N 7.947 127.881 119.914 0.033 0.000 2.333 470 V HA 0.365 4.484 4.120 -0.002 0.000 0.274 470 V C 0.237 176.364 176.094 0.055 0.000 1.028 470 V CA -0.372 61.893 62.300 -0.058 0.000 0.851 470 V CB 0.970 32.699 31.823 -0.156 0.000 1.000 470 V HN 0.482 nan 8.190 nan 0.000 0.456 471 I N 6.296 126.876 120.570 0.016 0.000 2.304 471 I HA 0.424 4.593 4.170 -0.002 0.000 0.291 471 I C -0.273 175.845 176.117 0.002 0.000 1.018 471 I CA -0.220 61.118 61.300 0.064 0.000 1.260 471 I CB 1.249 39.326 38.000 0.128 0.000 1.390 471 I HN 0.431 nan 8.210 nan 0.000 0.475 472 I N 6.928 127.497 120.570 -0.002 0.000 2.312 472 I HA 0.233 4.402 4.170 -0.002 0.000 0.290 472 I C 0.028 176.095 176.117 -0.084 0.000 1.008 472 I CA -0.462 60.802 61.300 -0.059 0.000 1.226 472 I CB 1.029 38.980 38.000 -0.081 0.000 1.371 472 I HN 0.418 nan 8.210 nan 0.000 0.468 473 M N 5.614 125.161 119.600 -0.088 0.000 2.725 473 M HA 0.141 4.620 4.480 -0.002 0.000 0.322 473 M C -0.044 176.211 176.300 -0.075 0.000 1.393 473 M CA -0.126 55.118 55.300 -0.093 0.000 1.452 473 M CB -0.782 31.784 32.600 -0.058 0.000 1.242 473 M HN 0.385 nan 8.290 nan 0.000 0.487 474 N N 3.453 122.122 118.700 -0.052 0.000 2.482 474 N HA 0.062 4.801 4.740 -0.002 0.000 0.242 474 N C 0.084 175.598 175.510 0.007 0.000 1.100 474 N CA 0.014 53.062 53.050 -0.004 0.000 0.946 474 N CB 0.296 38.839 38.487 0.093 0.000 1.227 474 N HN 0.408 nan 8.380 nan 0.000 0.508 475 N N 2.207 120.903 118.700 -0.007 0.000 2.273 475 N HA 0.030 4.769 4.740 -0.002 0.000 0.231 475 N C -0.463 175.062 175.510 0.025 0.000 1.134 475 N CA -0.181 52.874 53.050 0.009 0.000 0.856 475 N CB 0.178 38.668 38.487 0.006 0.000 1.068 475 N HN 0.299 nan 8.380 nan 0.000 0.510 476 Q N -0.796 119.021 119.800 0.028 0.000 2.481 476 Q HA -0.201 4.138 4.340 -0.002 0.000 0.272 476 Q C -0.882 175.122 176.000 0.008 0.000 1.157 476 Q CA 1.332 57.156 55.803 0.034 0.000 0.935 476 Q CB -2.696 26.071 28.738 0.049 0.000 1.338 476 Q HN 0.853 nan 8.270 nan 0.000 0.494 477 S N -3.030 112.645 115.700 -0.042 0.000 2.611 477 S HA 0.486 4.955 4.470 -0.002 0.000 0.270 477 S C -1.256 173.288 174.600 -0.095 0.000 1.131 477 S CA -1.108 57.071 58.200 -0.035 0.000 0.826 477 S CB 0.412 63.663 63.200 0.084 0.000 1.095 477 S HN 0.275 nan 8.310 nan 0.000 0.461 478 W N 2.160 123.508 121.300 0.080 0.000 2.351 478 W HA 0.489 5.148 4.660 -0.002 0.000 0.421 478 W C 1.529 178.084 176.519 0.060 0.000 1.000 478 W CA 0.124 57.513 57.345 0.073 0.000 1.610 478 W CB -0.132 29.375 29.460 0.078 0.000 1.700 478 W HN 1.060 nan 8.180 nan 0.000 0.351 479 G N 1.891 110.799 108.800 0.180 0.000 2.511 479 G HA2 -0.287 3.672 3.960 -0.002 0.000 0.216 479 G HA3 -0.287 3.672 3.960 -0.002 0.000 0.216 479 G C 1.695 176.591 174.900 -0.007 0.000 1.218 479 G CA 1.249 46.382 45.100 0.054 0.000 0.788 479 G HN 0.537 nan 8.290 nan 0.000 0.560 480 A N 0.468 123.282 122.820 -0.010 0.000 1.972 480 A HA -0.030 4.289 4.320 -0.002 0.000 0.219 480 A C 2.609 180.284 177.584 0.152 0.000 1.169 480 A CA 2.795 54.835 52.037 0.004 0.000 0.635 480 A CB -0.999 18.002 19.000 0.002 0.000 0.810 480 A HN 0.550 nan 8.150 nan 0.000 0.446 481 T N -1.726 112.929 114.554 0.168 0.000 2.857 481 T HA -0.028 4.321 4.350 -0.002 0.000 0.266 481 T C 1.852 176.710 174.700 0.263 0.000 1.048 481 T CA 1.175 63.386 62.100 0.185 0.000 1.139 481 T CB -0.448 68.487 68.868 0.112 0.000 0.874 481 T HN 0.282 nan 8.240 nan 0.000 0.455 482 L N 0.153 121.535 121.223 0.266 0.000 2.093 482 L HA -0.066 4.273 4.340 -0.002 0.000 0.208 482 L C 2.825 179.873 176.870 0.298 0.000 1.085 482 L CA 1.498 56.498 54.840 0.265 0.000 0.755 482 L CB -0.413 41.803 42.059 0.262 0.000 0.904 482 L HN 0.373 nan 8.230 nan 0.000 0.435 483 H N -1.693 117.464 119.070 0.145 0.000 2.387 483 H HA -0.234 4.321 4.556 -0.002 0.000 0.299 483 H C 2.027 177.429 175.328 0.124 0.000 1.090 483 H CA 1.749 57.866 56.048 0.115 0.000 1.332 483 H CB -0.002 29.824 29.762 0.108 0.000 1.386 483 H HN 0.438 nan 8.280 nan 0.000 0.516 484 F N 2.016 122.061 119.950 0.159 0.000 2.146 484 F HA -0.194 4.332 4.527 -0.002 0.000 0.298 484 F C 2.491 178.327 175.800 0.060 0.000 1.096 484 F CA 1.249 59.301 58.000 0.086 0.000 1.275 484 F CB -0.033 39.007 39.000 0.067 0.000 1.008 484 F HN 0.058 nan 8.300 nan 0.000 0.480 485 Q N -0.243 119.653 119.800 0.161 0.000 2.124 485 Q HA -0.233 4.106 4.340 -0.002 0.000 0.202 485 Q C 2.206 178.181 176.000 -0.042 0.000 0.977 485 Q CA 1.812 57.645 55.803 0.051 0.000 0.850 485 Q CB -0.242 28.573 28.738 0.128 0.000 0.901 485 Q HN 0.600 nan 8.270 nan 0.000 0.429 486 Q N -0.243 119.546 119.800 -0.018 0.000 2.083 486 Q HA -0.118 4.221 4.340 -0.002 0.000 0.198 486 Q C 1.856 177.796 176.000 -0.099 0.000 0.969 486 Q CA 0.842 56.613 55.803 -0.052 0.000 0.838 486 Q CB 0.160 28.864 28.738 -0.056 0.000 0.900 486 Q HN 0.227 nan 8.270 nan 0.000 0.436 487 L N -0.438 120.708 121.223 -0.128 0.000 2.127 487 L HA 0.032 4.371 4.340 -0.002 0.000 0.203 487 L C 2.034 178.778 176.870 -0.211 0.000 1.080 487 L CA 1.490 56.245 54.840 -0.142 0.000 0.768 487 L CB -0.529 41.470 42.059 -0.100 0.000 0.924 487 L HN 0.098 nan 8.230 nan 0.000 0.444 488 A N -1.964 120.620 122.820 -0.394 0.000 2.095 488 A HA 0.153 4.472 4.320 -0.002 0.000 0.212 488 A C 1.911 179.300 177.584 -0.325 0.000 1.162 488 A CA 1.136 52.880 52.037 -0.487 0.000 0.753 488 A CB -0.029 18.304 19.000 -1.111 0.000 0.840 488 A HN 0.173 nan 8.150 nan 0.000 0.468 489 V N -1.908 117.850 119.914 -0.259 0.000 2.948 489 V HA 0.535 4.654 4.120 -0.002 0.000 0.234 489 V C 1.027 177.070 176.094 -0.086 0.000 1.205 489 V CA 0.692 62.910 62.300 -0.137 0.000 1.234 489 V CB -0.060 31.708 31.823 -0.092 0.000 1.020 489 V HN 0.826 nan 8.190 nan 0.000 0.491 490 G N 0.091 108.844 108.800 -0.078 0.000 2.358 490 G HA2 0.293 4.252 3.960 -0.002 0.000 0.301 490 G HA3 0.293 4.252 3.960 -0.002 0.000 0.301 490 G C -2.765 172.113 174.900 -0.036 0.000 1.539 490 G CA 0.155 45.224 45.100 -0.051 0.000 0.893 490 G HN -0.062 nan 8.290 nan 0.000 0.636 491 P HA -0.085 nan 4.420 nan 0.000 0.220 491 P C 0.967 178.264 177.300 -0.005 0.000 1.148 491 P CA 1.240 64.328 63.100 -0.021 0.000 0.803 491 P CB 0.004 31.691 31.700 -0.022 0.000 0.782 492 N N -0.798 117.900 118.700 -0.003 0.000 2.268 492 N HA 0.050 4.790 4.740 -0.002 0.000 0.204 492 N C 0.577 176.094 175.510 0.012 0.000 1.124 492 N CA -0.344 52.710 53.050 0.006 0.000 0.838 492 N CB 0.096 38.585 38.487 0.004 0.000 0.994 492 N HN -0.047 nan 8.380 nan 0.000 0.489 493 R N 1.703 122.210 120.500 0.011 0.000 3.039 493 R HA 0.175 4.514 4.340 -0.002 0.000 0.336 493 R C -0.114 176.209 176.300 0.039 0.000 1.258 493 R CA -0.228 55.884 56.100 0.019 0.000 1.125 493 R CB 0.227 30.531 30.300 0.006 0.000 1.427 493 R HN 0.124 nan 8.270 nan 0.000 0.588 494 V N -0.912 119.030 119.914 0.047 0.000 2.333 494 V HA 0.625 4.744 4.120 -0.002 0.000 0.274 494 V C 0.045 176.183 176.094 0.073 0.000 1.028 494 V CA -0.641 61.701 62.300 0.071 0.000 0.851 494 V CB 1.023 32.892 31.823 0.076 0.000 1.000 494 V HN 0.272 nan 8.190 nan 0.000 0.456 495 T N 0.461 115.064 114.554 0.081 0.000 2.952 495 T HA 0.722 5.071 4.350 -0.002 0.000 0.305 495 T C 0.785 175.539 174.700 0.089 0.000 1.064 495 T CA -0.001 62.145 62.100 0.077 0.000 1.008 495 T CB 1.359 70.261 68.868 0.058 0.000 1.078 495 T HN 2.040 nan 8.240 nan 0.000 0.459 496 G N 1.801 110.661 108.800 0.100 0.000 2.168 496 G HA2 -0.320 3.639 3.960 -0.002 0.000 0.263 496 G HA3 -0.320 3.639 3.960 -0.002 0.000 0.263 496 G C 0.646 175.658 174.900 0.186 0.000 0.977 496 G CA 1.103 46.270 45.100 0.112 0.000 0.659 496 G HN 1.684 nan 8.290 nan 0.000 0.533 497 T N -2.853 111.839 114.554 0.230 0.000 3.044 497 T HA 0.453 4.802 4.350 -0.002 0.000 0.260 497 T C 0.881 175.797 174.700 0.360 0.000 1.019 497 T CA -0.071 62.246 62.100 0.362 0.000 0.921 497 T CB 0.571 69.597 68.868 0.263 0.000 1.053 497 T HN 0.482 nan 8.240 nan 0.000 0.533 498 R N 0.942 121.586 120.500 0.241 0.000 2.404 498 R HA 0.654 4.993 4.340 -0.002 0.000 0.291 498 R C -0.794 175.575 176.300 0.116 0.000 1.025 498 R CA -0.525 55.665 56.100 0.151 0.000 0.991 498 R CB 1.195 31.562 30.300 0.111 0.000 1.053 498 R HN 0.247 nan 8.270 nan 0.000 0.479 499 L N 2.876 124.121 121.223 0.036 0.000 2.551 499 L HA 0.256 4.596 4.340 -0.002 0.000 0.248 499 L C -0.293 176.584 176.870 0.012 0.000 1.509 499 L CA 0.029 54.866 54.840 -0.006 0.000 0.842 499 L CB 1.097 43.069 42.059 -0.144 0.000 1.087 499 L HN 0.592 nan 8.230 nan 0.000 0.512 500 E N 1.543 121.757 120.200 0.024 0.000 2.368 500 E HA 0.182 4.531 4.350 -0.002 0.000 0.283 500 E C -0.449 176.150 176.600 -0.003 0.000 1.476 500 E CA -0.182 56.230 56.400 0.020 0.000 1.786 500 E CB 0.199 29.917 29.700 0.029 0.000 1.518 500 E HN 0.371 nan 8.360 nan 0.000 0.456 501 N N -0.109 118.573 118.700 -0.030 0.000 2.745 501 N HA 0.468 5.207 4.740 -0.002 0.000 0.256 501 N C -1.335 174.060 175.510 -0.191 0.000 1.268 501 N CA 0.203 53.205 53.050 -0.079 0.000 0.887 501 N CB 1.862 40.315 38.487 -0.056 0.000 1.575 501 N HN 0.164 nan 8.380 nan 0.000 0.496 502 G N 0.548 109.191 108.800 -0.263 0.000 3.067 502 G HA2 0.103 4.062 3.960 -0.002 0.000 0.686 502 G HA3 0.103 4.062 3.960 -0.002 0.000 0.686 502 G C -1.024 173.499 174.900 -0.629 0.000 1.119 502 G CA -0.307 44.505 45.100 -0.480 0.000 0.790 502 G HN 0.775 nan 8.290 nan 0.000 0.605 503 S N 1.846 117.222 115.700 -0.540 0.000 2.466 503 S HA 0.565 5.034 4.470 -0.002 0.000 0.313 503 S C 1.311 175.565 174.600 -0.578 0.000 1.078 503 S CA -0.462 57.397 58.200 -0.569 0.000 1.115 503 S CB 0.078 62.955 63.200 -0.539 0.000 1.006 503 S HN 0.564 nan 8.310 nan 0.000 0.487 504 Y N 3.597 123.763 120.300 -0.223 0.000 2.242 504 Y HA -0.122 4.427 4.550 -0.002 0.000 0.291 504 Y C 2.626 178.438 175.900 -0.147 0.000 1.137 504 Y CA 1.818 59.858 58.100 -0.100 0.000 1.181 504 Y CB -0.555 37.918 38.460 0.021 0.000 0.989 504 Y HN 0.852 nan 8.280 nan 0.000 0.527 505 H N -2.248 116.805 119.070 -0.028 0.000 2.423 505 H HA 0.043 4.598 4.556 -0.002 0.000 0.297 505 H C 2.331 177.580 175.328 -0.131 0.000 1.075 505 H CA 1.218 57.212 56.048 -0.090 0.000 1.342 505 H CB -0.961 28.769 29.762 -0.053 0.000 1.395 505 H HN 0.346 nan 8.280 nan 0.000 0.530 506 G N 1.300 109.717 108.800 -0.638 0.000 2.408 506 G HA2 -0.161 3.798 3.960 -0.002 0.000 0.217 506 G HA3 -0.161 3.798 3.960 -0.002 0.000 0.217 506 G C 1.870 176.608 174.900 -0.269 0.000 1.150 506 G CA 1.250 46.106 45.100 -0.407 0.000 0.776 506 G HN 0.362 nan 8.290 nan 0.000 0.542 507 V N 1.596 121.368 119.914 -0.236 0.000 2.295 507 V HA -0.135 3.984 4.120 -0.002 0.000 0.246 507 V C 3.329 179.350 176.094 -0.121 0.000 1.049 507 V CA 2.035 64.247 62.300 -0.148 0.000 1.024 507 V CB -0.941 30.898 31.823 0.025 0.000 0.648 507 V HN 0.461 nan 8.190 nan 0.000 0.447 508 A N 0.028 122.699 122.820 -0.248 0.000 1.902 508 A HA -0.115 4.204 4.320 -0.002 0.000 0.217 508 A C 2.410 179.889 177.584 -0.175 0.000 1.181 508 A CA 2.115 53.858 52.037 -0.490 0.000 0.623 508 A CB -0.776 17.595 19.000 -1.050 0.000 0.818 508 A HN 0.581 nan 8.150 nan 0.000 0.443 509 A N -0.233 122.494 122.820 -0.154 0.000 1.930 509 A HA 0.199 4.518 4.320 -0.002 0.000 0.217 509 A C 2.434 179.965 177.584 -0.088 0.000 1.175 509 A CA 1.866 53.846 52.037 -0.095 0.000 0.627 509 A CB -0.879 18.065 19.000 -0.094 0.000 0.815 509 A HN 1.067 nan 8.150 nan 0.000 0.443 510 A N -1.636 121.087 122.820 -0.161 0.000 2.015 510 A HA 0.084 4.404 4.320 -0.002 0.000 0.219 510 A C 1.610 179.053 177.584 -0.235 0.000 1.163 510 A CA 1.144 53.040 52.037 -0.235 0.000 0.646 510 A CB -0.584 18.199 19.000 -0.361 0.000 0.806 510 A HN 0.442 nan 8.150 nan 0.000 0.448 511 F N -1.029 118.916 119.950 -0.008 0.000 2.797 511 F HA 0.339 4.865 4.527 -0.002 0.000 0.302 511 F C 1.878 177.709 175.800 0.052 0.000 1.130 511 F CA 0.379 58.406 58.000 0.045 0.000 1.387 511 F CB 0.141 39.213 39.000 0.120 0.000 1.107 511 F HN 0.360 nan 8.300 nan 0.000 0.577 512 G N -0.188 108.708 108.800 0.161 0.000 2.179 512 G HA2 -0.045 3.914 3.960 -0.002 0.000 0.220 512 G HA3 -0.045 3.914 3.960 -0.002 0.000 0.220 512 G C 0.284 175.245 174.900 0.102 0.000 0.990 512 G CA -0.177 44.988 45.100 0.108 0.000 0.646 512 G HN 0.596 nan 8.290 nan 0.000 0.517 513 A N 0.028 122.918 122.820 0.116 0.000 2.295 513 A HA 0.640 4.959 4.320 -0.002 0.000 0.318 513 A C -0.035 177.567 177.584 0.030 0.000 1.134 513 A CA -0.289 51.818 52.037 0.117 0.000 0.827 513 A CB 0.574 19.707 19.000 0.220 0.000 1.136 513 A HN 0.153 nan 8.150 nan 0.000 0.493 514 D N 1.018 121.449 120.400 0.052 0.000 2.417 514 D HA 0.387 5.026 4.640 -0.002 0.000 0.250 514 D C 0.334 176.599 176.300 -0.059 0.000 1.166 514 D CA 1.044 55.021 54.000 -0.038 0.000 0.881 514 D CB 1.076 41.893 40.800 0.028 0.000 1.164 514 D HN 0.635 nan 8.370 nan 0.000 0.467 515 G N 2.265 110.961 108.800 -0.174 0.000 2.468 515 G HA2 0.440 4.399 3.960 -0.002 0.000 0.315 515 G HA3 0.440 4.399 3.960 -0.002 0.000 0.315 515 G C -1.078 173.728 174.900 -0.156 0.000 1.203 515 G CA -0.501 44.565 45.100 -0.056 0.000 0.962 515 G HN 0.291 nan 8.290 nan 0.000 0.476 516 Y N 0.818 121.161 120.300 0.071 0.000 2.387 516 Y HA 0.499 5.048 4.550 -0.002 0.000 0.336 516 Y C 0.421 176.288 175.900 -0.054 0.000 1.067 516 Y CA -0.727 57.388 58.100 0.026 0.000 1.114 516 Y CB 2.132 40.637 38.460 0.075 0.000 1.208 516 Y HN 0.575 nan 8.280 nan 0.000 0.458 517 H N 2.396 121.373 119.070 -0.156 0.000 2.689 517 H HA 0.669 5.224 4.556 -0.002 0.000 0.346 517 H C -1.571 173.708 175.328 -0.083 0.000 1.037 517 H CA -0.983 54.898 56.048 -0.279 0.000 1.234 517 H CB 1.447 30.758 29.762 -0.752 0.000 1.572 517 H HN 0.599 nan 8.280 nan 0.000 0.524 518 V N 2.325 122.223 119.914 -0.027 0.000 2.962 518 V HA 0.394 4.513 4.120 -0.002 0.000 0.313 518 V C -0.464 175.531 176.094 -0.165 0.000 1.099 518 V CA -0.770 61.484 62.300 -0.076 0.000 0.971 518 V CB 2.206 34.077 31.823 0.080 0.000 1.028 518 V HN 0.945 nan 8.190 nan 0.000 0.430 519 D N 0.481 120.802 120.400 -0.132 0.000 2.602 519 D HA 0.256 4.896 4.640 -0.002 0.000 0.265 519 D C 0.078 176.348 176.300 -0.051 0.000 1.454 519 D CA 0.669 54.601 54.000 -0.113 0.000 0.795 519 D CB 0.298 41.008 40.800 -0.149 0.000 1.140 519 D HN 1.060 nan 8.370 nan 0.000 0.486 520 S N -1.679 114.014 115.700 -0.013 0.000 2.596 520 S HA 0.441 4.910 4.470 -0.002 0.000 0.270 520 S C 0.868 175.514 174.600 0.077 0.000 1.155 520 S CA -0.358 57.852 58.200 0.018 0.000 0.827 520 S CB 1.534 64.735 63.200 0.001 0.000 1.130 520 S HN -0.200 nan 8.310 nan 0.000 0.467 521 V N 1.284 121.239 119.914 0.067 0.000 2.287 521 V HA -0.175 3.944 4.120 -0.002 0.000 0.248 521 V C 2.743 178.884 176.094 0.077 0.000 1.053 521 V CA 2.530 64.886 62.300 0.093 0.000 1.027 521 V CB -1.178 30.652 31.823 0.011 0.000 0.646 521 V HN 1.048 nan 8.190 nan 0.000 0.447 522 E N 0.924 121.144 120.200 0.033 0.000 2.051 522 E HA -0.234 4.115 4.350 -0.002 0.000 0.192 522 E C 2.341 178.958 176.600 0.029 0.000 0.991 522 E CA 1.808 58.216 56.400 0.014 0.000 0.799 522 E CB -0.180 29.520 29.700 -0.000 0.000 0.748 522 E HN 0.749 nan 8.360 nan 0.000 0.449 523 S N -0.007 115.724 115.700 0.051 0.000 2.383 523 S HA -0.170 4.299 4.470 -0.002 0.000 0.227 523 S C 1.944 176.616 174.600 0.120 0.000 1.026 523 S CA 0.855 59.094 58.200 0.065 0.000 0.981 523 S CB -0.612 62.616 63.200 0.047 0.000 0.818 523 S HN 0.401 nan 8.310 nan 0.000 0.472 524 F N 2.977 122.907 119.950 -0.033 0.000 2.146 524 F HA 0.060 4.586 4.527 -0.002 0.000 0.298 524 F C 2.442 178.209 175.800 -0.056 0.000 1.096 524 F CA 0.880 58.854 58.000 -0.042 0.000 1.275 524 F CB -1.081 37.904 39.000 -0.025 0.000 1.008 524 F HN 0.198 nan 8.300 nan 0.000 0.480 525 S N 0.507 116.127 115.700 -0.133 0.000 2.359 525 S HA -0.202 4.267 4.470 -0.002 0.000 0.224 525 S C 2.361 176.862 174.600 -0.165 0.000 1.035 525 S CA 1.320 59.400 58.200 -0.200 0.000 1.018 525 S CB -0.922 62.227 63.200 -0.086 0.000 0.876 525 S HN 0.521 nan 8.310 nan 0.000 0.448 526 A N 1.460 124.224 122.820 -0.093 0.000 1.873 526 A HA 0.186 4.505 4.320 -0.002 0.000 0.215 526 A C 2.374 179.872 177.584 -0.143 0.000 1.186 526 A CA 1.635 53.624 52.037 -0.079 0.000 0.616 526 A CB -1.150 17.839 19.000 -0.018 0.000 0.823 526 A HN 0.511 nan 8.150 nan 0.000 0.442 527 A N -0.534 122.191 122.820 -0.160 0.000 1.908 527 A HA -0.076 4.243 4.320 -0.002 0.000 0.218 527 A C 2.140 179.387 177.584 -0.562 0.000 1.181 527 A CA 1.828 53.631 52.037 -0.390 0.000 0.627 527 A CB -0.625 18.244 19.000 -0.218 0.000 0.818 527 A HN 0.627 nan 8.150 nan 0.000 0.445 528 L N -0.395 120.558 121.223 -0.449 0.000 2.056 528 L HA -0.012 4.327 4.340 -0.002 0.000 0.207 528 L C 2.701 179.264 176.870 -0.512 0.000 1.078 528 L CA 2.087 56.614 54.840 -0.521 0.000 0.749 528 L CB -0.814 40.819 42.059 -0.710 0.000 0.901 528 L HN 0.345 nan 8.230 nan 0.000 0.433 529 A N -1.264 121.317 122.820 -0.398 0.000 1.902 529 A HA -0.249 4.070 4.320 -0.002 0.000 0.217 529 A C 2.207 179.638 177.584 -0.255 0.000 1.181 529 A CA 1.783 53.659 52.037 -0.268 0.000 0.623 529 A CB -0.545 18.392 19.000 -0.104 0.000 0.818 529 A HN 0.631 nan 8.150 nan 0.000 0.443 530 Q N -0.780 118.868 119.800 -0.254 0.000 2.084 530 Q HA -0.113 4.226 4.340 -0.002 0.000 0.202 530 Q C 2.471 178.300 176.000 -0.285 0.000 0.978 530 Q CA 1.347 57.006 55.803 -0.239 0.000 0.844 530 Q CB -0.377 28.343 28.738 -0.030 0.000 0.898 530 Q HN 0.686 nan 8.270 nan 0.000 0.426 531 A N 0.850 123.504 122.820 -0.278 0.000 1.908 531 A HA -0.174 4.145 4.320 -0.002 0.000 0.218 531 A C 1.989 179.507 177.584 -0.110 0.000 1.181 531 A CA 1.053 53.019 52.037 -0.119 0.000 0.627 531 A CB -0.511 18.366 19.000 -0.205 0.000 0.818 531 A HN 0.254 nan 8.150 nan 0.000 0.445 532 L N -0.754 120.346 121.223 -0.204 0.000 2.131 532 L HA -0.133 4.207 4.340 -0.002 0.000 0.210 532 L C 2.916 179.704 176.870 -0.137 0.000 1.092 532 L CA 1.939 56.683 54.840 -0.161 0.000 0.759 532 L CB -1.571 40.364 42.059 -0.208 0.000 0.903 532 L HN 0.469 nan 8.230 nan 0.000 0.435 533 A N -1.716 120.962 122.820 -0.236 0.000 2.014 533 A HA -0.104 4.215 4.320 -0.002 0.000 0.218 533 A C 0.879 178.341 177.584 -0.202 0.000 1.163 533 A CA 0.635 52.517 52.037 -0.258 0.000 0.652 533 A CB -0.457 18.323 19.000 -0.367 0.000 0.808 533 A HN 0.399 nan 8.150 nan 0.000 0.449 534 H N -0.872 118.217 119.070 0.031 0.000 2.472 534 H HA 0.226 4.782 4.556 -0.002 0.000 0.335 534 H C -0.475 174.881 175.328 0.047 0.000 1.136 534 H CA -0.841 55.237 56.048 0.049 0.000 1.264 534 H CB 0.723 30.533 29.762 0.080 0.000 1.486 534 H HN 0.211 nan 8.280 nan 0.000 0.517 535 N N 2.252 121.061 118.700 0.181 0.000 3.052 535 N HA 0.045 4.784 4.740 -0.002 0.000 0.302 535 N C -0.665 174.916 175.510 0.118 0.000 1.332 535 N CA -0.136 52.985 53.050 0.117 0.000 1.129 535 N CB -0.342 38.197 38.487 0.087 0.000 1.436 535 N HN 0.432 nan 8.380 nan 0.000 0.536 536 R N -0.120 120.468 120.500 0.147 0.000 2.771 536 R HA 0.544 4.883 4.340 -0.002 0.000 0.274 536 R C -2.591 173.805 176.300 0.159 0.000 0.987 536 R CA -1.857 54.326 56.100 0.138 0.000 0.908 536 R CB 1.395 31.769 30.300 0.123 0.000 1.213 536 R HN 0.123 nan 8.270 nan 0.000 0.468 537 P HA 0.172 nan 4.420 nan 0.000 0.268 537 P C -1.425 176.029 177.300 0.256 0.000 1.204 537 P CA 0.004 63.233 63.100 0.216 0.000 0.768 537 P CB 1.007 32.858 31.700 0.252 0.000 0.842 538 A N 2.560 125.554 122.820 0.289 0.000 2.475 538 A HA 0.606 4.925 4.320 -0.002 0.000 0.301 538 A C -1.162 176.648 177.584 0.376 0.000 1.059 538 A CA -0.531 51.704 52.037 0.330 0.000 0.710 538 A CB 1.358 20.558 19.000 0.333 0.000 1.288 538 A HN 0.617 nan 8.150 nan 0.000 0.408 539 C N 2.977 122.487 119.300 0.350 0.000 2.369 539 C HA 0.783 5.242 4.460 -0.002 0.000 0.322 539 C C -0.798 174.400 174.990 0.347 0.000 1.258 539 C CA -0.562 58.649 59.018 0.321 0.000 1.487 539 C CB -0.940 26.846 27.740 0.076 0.000 2.165 539 C HN 0.622 nan 8.230 nan 0.000 0.483 540 I N 6.300 127.037 120.570 0.279 0.000 2.428 540 I HA 0.289 4.458 4.170 -0.002 0.000 0.279 540 I C 0.207 176.433 176.117 0.182 0.000 1.040 540 I CA 0.080 61.537 61.300 0.261 0.000 1.171 540 I CB 0.513 38.650 38.000 0.228 0.000 1.312 540 I HN 0.704 nan 8.210 nan 0.000 0.470 541 N N 5.701 124.516 118.700 0.193 0.000 2.405 541 N HA 0.278 5.017 4.740 -0.002 0.000 0.260 541 N C -0.982 174.645 175.510 0.194 0.000 1.152 541 N CA -0.300 52.850 53.050 0.167 0.000 0.948 541 N CB 0.828 39.395 38.487 0.132 0.000 1.111 541 N HN 0.263 nan 8.380 nan 0.000 0.485 542 V N 2.803 122.734 119.914 0.029 0.000 2.357 542 V HA 0.408 4.527 4.120 -0.002 0.000 0.284 542 V C 0.279 176.343 176.094 -0.050 0.000 1.018 542 V CA -1.064 61.158 62.300 -0.129 0.000 0.841 542 V CB 1.022 32.529 31.823 -0.528 0.000 0.991 542 V HN 0.736 nan 8.190 nan 0.000 0.437 543 A N 5.260 128.075 122.820 -0.007 0.000 2.444 543 A HA 0.619 4.938 4.320 -0.002 0.000 0.273 543 A C -0.296 177.254 177.584 -0.057 0.000 1.136 543 A CA 0.000 52.043 52.037 0.009 0.000 0.799 543 A CB 0.203 19.203 19.000 -0.000 0.000 1.081 543 A HN 0.703 nan 8.150 nan 0.000 0.509 544 V N 2.193 122.076 119.914 -0.051 0.000 2.789 544 V HA 0.631 4.750 4.120 -0.002 0.000 0.311 544 V C 0.648 176.703 176.094 -0.065 0.000 1.073 544 V CA -0.390 61.858 62.300 -0.086 0.000 0.921 544 V CB 1.927 33.672 31.823 -0.129 0.000 1.009 544 V HN 1.225 nan 8.190 nan 0.000 0.426 545 A N 2.803 125.567 122.820 -0.093 0.000 2.445 545 A HA 0.424 4.743 4.320 -0.002 0.000 0.242 545 A C 0.566 178.112 177.584 -0.063 0.000 1.075 545 A CA 0.212 52.203 52.037 -0.076 0.000 0.777 545 A CB 0.289 19.222 19.000 -0.112 0.000 1.013 545 A HN 0.930 nan 8.150 nan 0.000 0.493 546 L N 0.661 121.894 121.223 0.018 0.000 2.316 546 L HA 0.160 4.499 4.340 -0.002 0.000 0.207 546 L C 1.384 178.400 176.870 0.244 0.000 1.070 546 L CA 1.591 56.498 54.840 0.112 0.000 0.820 546 L CB -0.440 41.694 42.059 0.126 0.000 0.992 546 L HN 0.730 nan 8.230 nan 0.000 0.466 547 D N 0.254 120.730 120.400 0.127 0.000 2.123 547 D HA -0.070 4.569 4.640 -0.002 0.000 0.196 547 D C -1.383 175.001 176.300 0.139 0.000 0.992 547 D CA 0.816 54.872 54.000 0.092 0.000 0.833 547 D CB -1.657 39.158 40.800 0.024 0.000 0.954 547 D HN 0.310 nan 8.370 nan 0.000 0.455 548 P HA 0.059 nan 4.420 nan 0.000 0.265 548 P C -0.238 177.380 177.300 0.531 0.000 1.193 548 P CA 0.319 63.566 63.100 0.244 0.000 0.765 548 P CB 0.488 32.126 31.700 -0.103 0.000 0.823 549 I N 5.516 126.341 120.570 0.425 0.000 2.330 549 I HA 0.276 4.445 4.170 -0.002 0.000 0.289 549 I C -1.934 174.164 176.117 -0.032 0.000 1.001 549 I CA -2.533 58.922 61.300 0.259 0.000 1.193 549 I CB 1.524 39.597 38.000 0.121 0.000 1.345 549 I HN 0.184 nan 8.210 nan 0.000 0.461 550 P HA 0.154 nan 4.420 nan 0.000 0.271 550 P C -2.169 174.809 177.300 -0.536 0.000 1.216 550 P CA -1.445 60.936 63.100 -1.199 0.000 0.776 550 P CB 0.351 31.099 31.700 -1.586 0.000 0.881 551 P HA -0.174 nan 4.420 nan 0.000 0.218 551 P C 1.143 178.297 177.300 -0.244 0.000 1.148 551 P CA 1.523 64.472 63.100 -0.252 0.000 0.822 551 P CB 0.148 31.730 31.700 -0.197 0.000 0.784 552 E N 0.033 120.075 120.200 -0.263 0.000 2.274 552 E HA -0.168 4.181 4.350 -0.002 0.000 0.194 552 E C 2.038 178.541 176.600 -0.162 0.000 0.996 552 E CA 0.672 56.957 56.400 -0.192 0.000 0.840 552 E CB -0.199 29.416 29.700 -0.143 0.000 0.772 552 E HN 0.528 nan 8.360 nan 0.000 0.491 553 E N 0.912 120.996 120.200 -0.195 0.000 2.072 553 E HA -0.133 4.216 4.350 -0.002 0.000 0.191 553 E C 2.120 178.692 176.600 -0.047 0.000 0.985 553 E CA 0.632 56.966 56.400 -0.110 0.000 0.801 553 E CB -0.044 29.595 29.700 -0.101 0.000 0.750 553 E HN 0.166 nan 8.360 nan 0.000 0.452 554 L N 0.837 122.018 121.223 -0.070 0.000 2.141 554 L HA -0.038 4.301 4.340 -0.002 0.000 0.209 554 L C 1.163 178.006 176.870 -0.045 0.000 1.094 554 L CA 0.111 54.927 54.840 -0.040 0.000 0.763 554 L CB -0.257 41.771 42.059 -0.052 0.000 0.908 554 L HN 0.211 nan 8.230 nan 0.000 0.437 555 I N 0.000 120.508 120.570 -0.104 0.000 2.984 555 I HA 0.000 4.169 4.170 -0.002 0.000 0.288 555 I CA 0.000 61.227 61.300 -0.121 0.000 1.566 555 I CB 0.000 37.794 38.000 -0.344 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494