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 3iaf_1_A DATA FIRST_RESID 2 DATA SEQUENCE AMITGGELVV RTLIKAGVEH LFGLHGXHID 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 0.000 177.590 177.584 0.010 0.000 1.274 2 A CA 0.000 52.043 52.037 0.010 0.000 0.836 2 A CB 0.000 19.004 19.000 0.007 0.000 0.831 3 M N 2.467 122.072 119.600 0.008 0.000 2.080 3 M HA 0.526 5.007 4.480 0.001 0.000 0.350 3 M C -0.393 175.914 176.300 0.012 0.000 1.173 3 M CA -0.272 55.033 55.300 0.007 0.000 1.052 3 M CB 0.171 32.772 32.600 0.002 0.000 1.577 3 M HN 0.585 nan 8.290 nan 0.000 0.455 4 I N 0.228 120.808 120.570 0.017 0.000 2.846 4 I HA 0.741 4.912 4.170 0.001 0.000 0.307 4 I C 0.471 176.603 176.117 0.024 0.000 1.053 4 I CA -0.855 60.461 61.300 0.025 0.000 1.050 4 I CB 2.099 40.121 38.000 0.037 0.000 1.239 4 I HN 0.629 nan 8.210 nan 0.000 0.439 5 T N 0.835 115.408 114.554 0.032 0.000 2.828 5 T HA 0.335 4.685 4.350 0.001 0.000 0.290 5 T C 1.227 175.952 174.700 0.040 0.000 1.019 5 T CA -0.062 62.057 62.100 0.033 0.000 1.031 5 T CB 1.263 70.157 68.868 0.044 0.000 1.001 5 T HN 0.902 nan 8.240 nan 0.000 0.531 6 G N 0.093 108.917 108.800 0.039 0.000 2.432 6 G HA2 0.040 4.001 3.960 0.001 0.000 0.219 6 G HA3 0.040 4.001 3.960 0.001 0.000 0.219 6 G C 1.543 176.479 174.900 0.059 0.000 1.135 6 G CA 0.490 45.617 45.100 0.046 0.000 0.767 6 G HN 1.012 nan 8.290 nan 0.000 0.550 7 G N 0.602 109.445 108.800 0.072 0.000 2.422 7 G HA2 -0.157 3.804 3.960 0.001 0.000 0.218 7 G HA3 -0.157 3.804 3.960 0.001 0.000 0.218 7 G C 1.578 176.519 174.900 0.068 0.000 1.146 7 G CA 1.274 46.421 45.100 0.078 0.000 0.769 7 G HN 0.491 nan 8.290 nan 0.000 0.547 8 E N 0.509 120.752 120.200 0.072 0.000 2.077 8 E HA -0.044 4.306 4.350 0.001 0.000 0.193 8 E C 2.479 179.114 176.600 0.058 0.000 0.989 8 E CA 0.718 57.168 56.400 0.083 0.000 0.800 8 E CB -0.470 29.282 29.700 0.087 0.000 0.746 8 E HN 0.425 nan 8.360 nan 0.000 0.452 9 L N -0.459 120.793 121.223 0.048 0.000 2.079 9 L HA -0.182 4.159 4.340 0.001 0.000 0.210 9 L C 2.413 179.300 176.870 0.027 0.000 1.081 9 L CA 0.927 55.788 54.840 0.036 0.000 0.752 9 L CB -0.397 41.687 42.059 0.041 0.000 0.896 9 L HN 0.119 nan 8.230 nan 0.000 0.433 10 V N -0.799 119.135 119.914 0.034 0.000 2.287 10 V HA -0.266 3.855 4.120 0.001 0.000 0.248 10 V C 2.351 178.443 176.094 -0.003 0.000 1.053 10 V CA 1.640 63.956 62.300 0.026 0.000 1.027 10 V CB -0.229 31.614 31.823 0.034 0.000 0.646 10 V HN 0.205 nan 8.190 nan 0.000 0.447 11 V N -0.365 119.542 119.914 -0.011 0.000 2.379 11 V HA -0.186 3.935 4.120 0.001 0.000 0.245 11 V C 2.543 178.562 176.094 -0.125 0.000 1.044 11 V CA 1.820 64.088 62.300 -0.055 0.000 1.036 11 V CB -0.724 31.092 31.823 -0.012 0.000 0.664 11 V HN 0.460 nan 8.190 nan 0.000 0.453 12 R N -0.139 120.289 120.500 -0.120 0.000 2.096 12 R HA -0.129 4.212 4.340 0.001 0.000 0.235 12 R C 2.335 178.581 176.300 -0.091 0.000 1.127 12 R CA 1.891 57.899 56.100 -0.154 0.000 0.968 12 R CB -0.654 29.594 30.300 -0.086 0.000 0.861 12 R HN 0.514 nan 8.270 nan 0.000 0.440 13 T N 1.492 116.019 114.554 -0.045 0.000 2.777 13 T HA -0.050 4.301 4.350 0.001 0.000 0.266 13 T C 1.898 176.581 174.700 -0.028 0.000 1.040 13 T CA 0.875 62.963 62.100 -0.021 0.000 1.141 13 T CB -0.104 68.769 68.868 0.009 0.000 0.868 13 T HN 0.118 nan 8.240 nan 0.000 0.444 14 L N 0.207 121.407 121.223 -0.039 0.000 2.046 14 L HA -0.040 4.301 4.340 0.001 0.000 0.208 14 L C 2.438 179.272 176.870 -0.061 0.000 1.077 14 L CA 1.193 56.008 54.840 -0.043 0.000 0.747 14 L CB -0.559 41.466 42.059 -0.055 0.000 0.896 14 L HN 0.258 nan 8.230 nan 0.000 0.432 15 I N -0.204 120.307 120.570 -0.097 0.000 2.226 15 I HA -0.311 3.859 4.170 0.001 0.000 0.245 15 I C 2.630 178.705 176.117 -0.070 0.000 1.100 15 I CA 1.351 62.586 61.300 -0.108 0.000 1.374 15 I CB -0.231 37.658 38.000 -0.184 0.000 1.057 15 I HN 0.185 nan 8.210 nan 0.000 0.413 16 K N 1.104 121.467 120.400 -0.061 0.000 2.211 16 K HA -0.108 4.213 4.320 0.001 0.000 0.203 16 K C 1.980 178.567 176.600 -0.021 0.000 1.050 16 K CA 1.194 57.459 56.287 -0.037 0.000 0.945 16 K CB -0.042 32.440 32.500 -0.029 0.000 0.732 16 K HN 0.314 nan 8.250 nan 0.000 0.451 17 A N 0.185 122.995 122.820 -0.017 0.000 2.209 17 A HA 0.131 4.452 4.320 0.001 0.000 0.212 17 A C 1.233 178.817 177.584 0.000 0.000 1.158 17 A CA 0.886 52.921 52.037 -0.003 0.000 0.742 17 A CB -0.496 18.508 19.000 0.006 0.000 0.790 17 A HN 0.495 nan 8.150 nan 0.000 0.472 18 G N -0.649 108.145 108.800 -0.010 0.000 2.182 18 G HA2 -0.074 3.886 3.960 0.001 0.000 0.248 18 G HA3 -0.074 3.886 3.960 0.001 0.000 0.248 18 G C 0.303 175.211 174.900 0.013 0.000 1.042 18 G CA 0.485 45.583 45.100 -0.003 0.000 0.775 18 G HN 1.805 nan 8.290 nan 0.000 0.501 19 V N -2.821 117.092 119.914 -0.002 0.000 2.649 19 V HA 0.797 4.918 4.120 0.001 0.000 0.292 19 V C 0.797 176.859 176.094 -0.053 0.000 1.055 19 V CA 0.527 62.831 62.300 0.006 0.000 1.023 19 V CB 1.658 33.474 31.823 -0.011 0.000 0.992 19 V HN 0.335 nan 8.190 nan 0.000 0.480 20 E N 1.749 121.913 120.200 -0.061 0.000 2.485 20 E HA 0.260 4.611 4.350 0.001 0.000 0.213 20 E C -0.683 175.549 176.600 -0.612 0.000 0.923 20 E CA -0.000 56.241 56.400 -0.265 0.000 1.054 20 E CB 0.599 30.180 29.700 -0.198 0.000 1.077 20 E HN 0.964 nan 8.360 nan 0.000 0.509 21 H N -0.639 118.278 119.070 -0.255 0.000 2.806 21 H HA 0.468 5.025 4.556 0.001 0.000 0.367 21 H C -1.303 173.680 175.328 -0.576 0.000 1.136 21 H CA -0.642 55.106 56.048 -0.500 0.000 1.178 21 H CB 1.677 30.995 29.762 -0.741 0.000 1.718 21 H HN -0.145 nan 8.280 nan 0.000 0.540 22 L N 2.252 123.173 121.223 -0.504 0.000 2.354 22 L HA 0.515 4.856 4.340 0.001 0.000 0.269 22 L C -1.213 175.280 176.870 -0.628 0.000 1.005 22 L CA -0.390 54.192 54.840 -0.430 0.000 0.819 22 L CB 1.263 43.144 42.059 -0.295 0.000 1.311 22 L HN 0.504 nan 8.230 nan 0.000 0.423 23 F N 0.644 120.506 119.950 -0.147 0.000 2.493 23 F HA 0.828 5.356 4.527 0.001 0.000 0.329 23 F C 0.647 176.418 175.800 -0.048 0.000 1.126 23 F CA -0.470 57.477 58.000 -0.088 0.000 0.937 23 F CB 2.048 40.996 39.000 -0.086 0.000 1.146 23 F HN 0.486 nan 8.300 nan 0.000 0.442 24 G N 2.518 111.407 108.800 0.148 0.000 2.554 24 G HA2 0.544 4.505 3.960 0.001 0.000 0.306 24 G HA3 0.544 4.505 3.960 0.001 0.000 0.306 24 G C -2.682 172.335 174.900 0.195 0.000 1.320 24 G CA -0.674 44.517 45.100 0.151 0.000 0.800 24 G HN 0.496 nan 8.290 nan 0.000 0.481 25 L N 1.122 122.471 121.223 0.210 0.000 2.436 25 L HA 0.479 4.820 4.340 0.001 0.000 0.268 25 L C -0.615 176.369 176.870 0.191 0.000 0.974 25 L CA -0.678 54.269 54.840 0.179 0.000 0.826 25 L CB 1.688 43.790 42.059 0.072 0.000 1.291 25 L HN 0.834 nan 8.230 nan 0.000 0.406 26 H N 3.110 122.182 119.070 0.004 0.000 2.815 26 H HA 0.473 5.030 4.556 0.001 0.000 0.350 26 H C -0.546 174.670 175.328 -0.188 0.000 1.080 26 H CA 0.973 56.832 56.048 -0.316 0.000 1.433 26 H CB 1.290 30.653 29.762 -0.665 0.000 1.432 26 H HN 0.830 nan 8.280 nan 0.000 0.592 30 I N -1.968 118.559 120.570 -0.071 0.000 4.009 30 I HA 0.331 4.502 4.170 0.001 0.000 0.331 30 I C 1.019 177.220 176.117 0.139 0.000 1.462 30 I CA 0.134 61.471 61.300 0.062 0.000 1.117 30 I CB 0.749 38.799 38.000 0.083 0.000 1.091 30 I HN -0.073 nan 8.210 nan 0.000 0.410 31 D N 2.489 122.926 120.400 0.061 0.000 2.178 31 D HA -0.214 4.426 4.640 0.001 0.000 0.201 31 D C 2.232 178.678 176.300 0.244 0.000 0.980 31 D CA 2.436 56.536 54.000 0.167 0.000 0.842 31 D CB 0.233 41.128 40.800 0.159 0.000 0.948 31 D HN 0.518 nan 8.370 nan 0.000 0.472 32 T N -1.424 113.248 114.554 0.197 0.000 2.849 32 T HA -0.175 4.175 4.350 0.001 0.000 0.270 32 T C 2.118 176.908 174.700 0.150 0.000 1.066 32 T CA 1.069 63.267 62.100 0.162 0.000 1.130 32 T CB -0.508 68.446 68.868 0.143 0.000 0.864 32 T HN 0.248 nan 8.240 nan 0.000 0.481 33 I N -0.652 120.014 120.570 0.159 0.000 2.406 33 I HA 0.072 4.243 4.170 0.001 0.000 0.249 33 I C 2.104 178.257 176.117 0.060 0.000 1.122 33 I CA 0.877 62.228 61.300 0.086 0.000 1.431 33 I CB -0.364 37.657 38.000 0.036 0.000 1.087 33 I HN 0.090 nan 8.210 nan 0.000 0.424 34 F N 1.104 121.087 119.950 0.054 0.000 2.171 34 F HA -0.206 4.322 4.527 0.001 0.000 0.300 34 F C 2.684 178.525 175.800 0.067 0.000 1.090 34 F CA 1.256 59.302 58.000 0.076 0.000 1.293 34 F CB -0.295 38.797 39.000 0.152 0.000 1.013 34 F HN 0.070 nan 8.300 nan 0.000 0.486 35 Q N -0.109 119.838 119.800 0.246 0.000 2.083 35 Q HA -0.062 4.279 4.340 0.001 0.000 0.198 35 Q C 2.560 178.615 176.000 0.092 0.000 0.969 35 Q CA 1.388 57.279 55.803 0.147 0.000 0.838 35 Q CB -1.036 27.776 28.738 0.123 0.000 0.900 35 Q HN 0.409 nan 8.270 nan 0.000 0.436 36 A N 0.279 123.159 122.820 0.099 0.000 1.873 36 A HA -0.167 4.154 4.320 0.001 0.000 0.215 36 A C 2.569 180.240 177.584 0.145 0.000 1.186 36 A CA 1.408 53.516 52.037 0.119 0.000 0.616 36 A CB -1.039 18.045 19.000 0.140 0.000 0.823 36 A HN 0.446 nan 8.150 nan 0.000 0.442 37 C N -0.768 118.574 119.300 0.070 0.000 2.413 37 C HA -0.103 4.358 4.460 0.001 0.000 0.276 37 C C 2.493 177.497 174.990 0.023 0.000 1.248 37 C CA 1.138 60.167 59.018 0.017 0.000 1.742 37 C CB -1.228 26.444 27.740 -0.113 0.000 2.017 37 C HN 0.650 nan 8.230 nan 0.000 0.481 38 L N 0.785 122.027 121.223 0.030 0.000 2.201 38 L HA -0.109 4.232 4.340 0.001 0.000 0.212 38 L C 1.859 178.722 176.870 -0.012 0.000 1.105 38 L CA 2.024 56.879 54.840 0.025 0.000 0.775 38 L CB -1.010 41.085 42.059 0.060 0.000 0.913 38 L HN 0.347 nan 8.230 nan 0.000 0.440 39 D N -1.116 119.254 120.400 -0.049 0.000 2.149 39 D HA -0.106 4.534 4.640 0.001 0.000 0.201 39 D C 1.700 177.852 176.300 -0.247 0.000 0.972 39 D CA 1.040 54.937 54.000 -0.172 0.000 0.835 39 D CB 0.072 40.706 40.800 -0.277 0.000 0.966 39 D HN 0.448 nan 8.370 nan 0.000 0.476 40 H N 0.451 119.509 119.070 -0.020 0.000 2.529 40 H HA 0.077 4.633 4.556 0.001 0.000 0.277 40 H C -0.249 175.054 175.328 -0.042 0.000 1.004 40 H CA 0.127 56.158 56.048 -0.029 0.000 1.167 40 H CB 0.474 30.215 29.762 -0.035 0.000 1.445 40 H HN 0.046 nan 8.280 nan 0.000 0.554 41 D N 0.991 121.414 120.400 0.037 0.000 2.705 41 D HA -0.141 4.499 4.640 0.001 0.000 0.240 41 D C -0.502 175.778 176.300 -0.033 0.000 1.137 41 D CA 0.311 54.311 54.000 -0.001 0.000 0.677 41 D CB -1.257 39.541 40.800 -0.003 0.000 1.049 41 D HN 0.117 nan 8.370 nan 0.000 0.427 42 V N 1.324 121.212 119.914 -0.044 0.000 2.313 42 V HA 0.261 4.381 4.120 0.001 0.000 0.278 42 V C -1.890 174.110 176.094 -0.156 0.000 1.017 42 V CA -1.383 60.844 62.300 -0.121 0.000 0.823 42 V CB 1.700 33.455 31.823 -0.113 0.000 1.010 42 V HN -0.061 nan 8.190 nan 0.000 0.443 43 P HA 0.201 nan 4.420 nan 0.000 0.263 43 P C -0.435 176.729 177.300 -0.226 0.000 1.195 43 P CA 0.297 63.306 63.100 -0.152 0.000 0.762 43 P CB 0.352 31.995 31.700 -0.093 0.000 0.799 44 I N 4.698 125.144 120.570 -0.207 0.000 2.330 44 I HA 0.213 4.383 4.170 0.001 0.000 0.286 44 I C 0.439 176.468 176.117 -0.147 0.000 1.025 44 I CA -0.755 60.385 61.300 -0.268 0.000 1.197 44 I CB 0.750 38.495 38.000 -0.425 0.000 1.358 44 I HN 0.123 nan 8.210 nan 0.000 0.467 45 I N 6.500 126.933 120.570 -0.229 0.000 2.453 45 I HA -0.009 4.161 4.170 0.001 0.000 0.300 45 I C 0.506 176.656 176.117 0.054 0.000 1.159 45 I CA 0.090 61.341 61.300 -0.082 0.000 1.379 45 I CB -0.786 37.151 38.000 -0.105 0.000 1.460 45 I HN 0.612 nan 8.210 nan 0.000 0.601 46 D N 5.048 125.508 120.400 0.100 0.000 2.343 46 D HA 0.149 4.789 4.640 0.001 0.000 0.255 46 D C 0.579 176.940 176.300 0.102 0.000 1.187 46 D CA -0.301 53.789 54.000 0.151 0.000 0.875 46 D CB 1.539 42.459 40.800 0.199 0.000 1.136 46 D HN 0.485 nan 8.370 nan 0.000 0.469 47 T N 0.316 114.929 114.554 0.097 0.000 2.898 47 T HA 0.347 4.698 4.350 0.001 0.000 0.283 47 T C 1.020 175.732 174.700 0.021 0.000 1.059 47 T CA -0.805 61.324 62.100 0.048 0.000 0.958 47 T CB 1.432 70.334 68.868 0.057 0.000 1.594 47 T HN 0.230 nan 8.240 nan 0.000 0.598 48 R N -0.342 120.153 120.500 -0.008 0.000 2.404 48 R HA 0.290 4.630 4.340 0.001 0.000 0.237 48 R C 0.051 176.385 176.300 0.057 0.000 0.907 48 R CA 0.009 56.106 56.100 -0.005 0.000 1.063 48 R CB -0.286 29.974 30.300 -0.066 0.000 1.134 48 R HN 0.754 nan 8.270 nan 0.000 0.529 49 H N -0.196 118.853 119.070 -0.035 0.000 3.029 49 H HA 0.178 4.735 4.556 0.001 0.000 0.358 49 H C -0.115 175.204 175.328 -0.015 0.000 1.129 49 H CA -0.204 55.832 56.048 -0.020 0.000 1.230 49 H CB 1.973 31.723 29.762 -0.019 0.000 1.827 49 H HN -0.229 nan 8.280 nan 0.000 0.530 50 E N 2.851 123.021 120.200 -0.049 0.000 2.153 50 E HA -0.083 4.268 4.350 0.001 0.000 0.194 50 E C 1.916 178.591 176.600 0.126 0.000 0.988 50 E CA 1.624 58.045 56.400 0.036 0.000 0.811 50 E CB 0.159 29.821 29.700 -0.064 0.000 0.746 50 E HN 0.634 nan 8.360 nan 0.000 0.466 51 A N 0.834 123.873 122.820 0.364 0.000 1.902 51 A HA -0.107 4.214 4.320 0.001 0.000 0.217 51 A C 2.350 179.843 177.584 -0.151 0.000 1.181 51 A CA 1.750 53.775 52.037 -0.020 0.000 0.623 51 A CB -0.754 18.202 19.000 -0.073 0.000 0.818 51 A HN 0.304 nan 8.150 nan 0.000 0.443 52 A N -0.235 122.617 122.820 0.054 0.000 1.930 52 A HA 0.206 4.527 4.320 0.001 0.000 0.217 52 A C 2.473 180.081 177.584 0.039 0.000 1.175 52 A CA 1.928 53.998 52.037 0.054 0.000 0.627 52 A CB -0.898 18.106 19.000 0.006 0.000 0.815 52 A HN 0.984 nan 8.150 nan 0.000 0.443 53 A N -0.346 122.511 122.820 0.061 0.000 1.873 53 A HA 0.156 4.477 4.320 0.001 0.000 0.215 53 A C 2.436 180.046 177.584 0.042 0.000 1.186 53 A CA 1.874 53.965 52.037 0.091 0.000 0.616 53 A CB -1.457 17.619 19.000 0.125 0.000 0.823 53 A HN 0.708 nan 8.150 nan 0.000 0.442 54 G N -0.950 107.870 108.800 0.033 0.000 2.491 54 G HA2 -0.305 3.656 3.960 0.001 0.000 0.218 54 G HA3 -0.305 3.656 3.960 0.001 0.000 0.218 54 G C 1.491 176.400 174.900 0.015 0.000 1.180 54 G CA 1.265 46.417 45.100 0.088 0.000 0.774 54 G HN 0.637 nan 8.290 nan 0.000 0.562 55 H N 0.773 119.864 119.070 0.036 0.000 2.423 55 H HA 0.094 4.651 4.556 0.001 0.000 0.297 55 H C 2.886 178.132 175.328 -0.137 0.000 1.075 55 H CA 0.998 57.031 56.048 -0.026 0.000 1.342 55 H CB -0.624 29.123 29.762 -0.024 0.000 1.395 55 H HN 0.393 nan 8.280 nan 0.000 0.530 56 A N 1.162 123.912 122.820 -0.116 0.000 1.933 56 A HA -0.075 4.245 4.320 0.001 0.000 0.218 56 A C 2.706 179.796 177.584 -0.823 0.000 1.175 56 A CA 1.652 53.408 52.037 -0.469 0.000 0.628 56 A CB -0.791 17.890 19.000 -0.532 0.000 0.814 56 A HN 0.425 nan 8.150 nan 0.000 0.444 57 A N 0.055 122.523 122.820 -0.586 0.000 1.908 57 A HA -0.202 4.118 4.320 0.001 0.000 0.218 57 A C 1.907 179.395 177.584 -0.161 0.000 1.181 57 A CA 1.743 53.564 52.037 -0.361 0.000 0.627 57 A CB -0.540 18.322 19.000 -0.230 0.000 0.818 57 A HN 0.667 nan 8.150 nan 0.000 0.445 58 E N -0.707 119.433 120.200 -0.100 0.000 2.047 58 E HA -0.088 4.263 4.350 0.001 0.000 0.191 58 E C 2.191 178.768 176.600 -0.039 0.000 0.987 58 E CA 0.765 57.157 56.400 -0.015 0.000 0.799 58 E CB -0.454 29.284 29.700 0.063 0.000 0.752 58 E HN 0.585 nan 8.360 nan 0.000 0.449 59 G N 0.613 109.362 108.800 -0.086 0.000 2.442 59 G HA2 -0.316 3.645 3.960 0.001 0.000 0.219 59 G HA3 -0.316 3.645 3.960 0.001 0.000 0.219 59 G C 1.402 176.261 174.900 -0.067 0.000 1.141 59 G CA 0.915 45.959 45.100 -0.092 0.000 0.763 59 G HN 0.266 nan 8.290 nan 0.000 0.554 60 Y N 1.813 121.976 120.300 -0.230 0.000 2.114 60 Y HA -0.036 4.515 4.550 0.001 0.000 0.284 60 Y C 2.979 178.854 175.900 -0.042 0.000 1.143 60 Y CA 1.807 59.839 58.100 -0.115 0.000 1.135 60 Y CB -0.267 38.154 38.460 -0.065 0.000 0.980 60 Y HN 0.247 nan 8.280 nan 0.000 0.499 61 A N 0.255 123.130 122.820 0.093 0.000 1.933 61 A HA -0.181 4.140 4.320 0.001 0.000 0.218 61 A C 2.218 179.778 177.584 -0.040 0.000 1.175 61 A CA 1.876 53.934 52.037 0.035 0.000 0.628 61 A CB -0.535 18.505 19.000 0.067 0.000 0.814 61 A HN 0.550 nan 8.150 nan 0.000 0.444 62 R N -0.875 119.597 120.500 -0.048 0.000 2.075 62 R HA 0.118 4.459 4.340 0.001 0.000 0.226 62 R C 2.450 178.706 176.300 -0.073 0.000 1.114 62 R CA 1.061 57.128 56.100 -0.054 0.000 0.972 62 R CB -0.339 29.926 30.300 -0.058 0.000 0.869 62 R HN 0.465 nan 8.270 nan 0.000 0.437 63 A N 0.159 122.921 122.820 -0.098 0.000 1.968 63 A HA 0.013 4.334 4.320 0.001 0.000 0.217 63 A C 1.955 179.462 177.584 -0.129 0.000 1.169 63 A CA 1.494 53.471 52.037 -0.100 0.000 0.638 63 A CB -0.360 18.582 19.000 -0.097 0.000 0.812 63 A HN 0.438 nan 8.150 nan 0.000 0.446 64 G N -2.240 106.439 108.800 -0.202 0.000 3.277 64 G HA2 0.422 4.382 3.960 0.001 0.000 0.243 64 G HA3 0.422 4.382 3.960 0.001 0.000 0.243 64 G C 0.685 175.496 174.900 -0.149 0.000 1.107 64 G CA 0.575 45.537 45.100 -0.230 0.000 0.771 64 G HN 1.444 nan 8.290 nan 0.000 0.544 65 A N 0.516 123.276 122.820 -0.101 0.000 2.415 65 A HA -0.079 4.242 4.320 0.001 0.000 0.292 65 A C 0.783 178.342 177.584 -0.043 0.000 1.452 65 A CA 1.744 53.748 52.037 -0.056 0.000 0.750 65 A CB -1.880 17.096 19.000 -0.041 0.000 1.099 65 A HN 0.931 nan 8.150 nan 0.000 0.391 66 K N -1.531 118.848 120.400 -0.035 0.000 2.308 66 K HA 0.805 5.126 4.320 0.001 0.000 0.268 66 K C -0.601 176.038 176.600 0.066 0.000 0.992 66 K CA -1.007 55.287 56.287 0.012 0.000 0.836 66 K CB 0.566 33.073 32.500 0.011 0.000 1.507 66 K HN 0.791 nan 8.250 nan 0.000 0.394 67 L N 1.017 122.306 121.223 0.111 0.000 2.349 67 L HA 0.482 4.823 4.340 0.001 0.000 0.275 67 L C -0.157 176.850 176.870 0.228 0.000 1.115 67 L CA 0.662 55.579 54.840 0.128 0.000 0.820 67 L CB 1.162 43.280 42.059 0.098 0.000 1.135 67 L HN 0.757 nan 8.230 nan 0.000 0.445 68 G N 4.513 113.411 108.800 0.164 0.000 2.415 68 G HA2 0.592 4.553 3.960 0.001 0.000 0.327 68 G HA3 0.592 4.553 3.960 0.001 0.000 0.327 68 G C -1.517 173.382 174.900 -0.001 0.000 1.182 68 G CA -0.484 44.714 45.100 0.165 0.000 0.924 68 G HN 0.561 nan 8.290 nan 0.000 0.470 69 V N 1.183 121.097 119.914 0.000 0.000 2.448 69 V HA 0.739 4.860 4.120 0.001 0.000 0.295 69 V C 0.332 176.393 176.094 -0.055 0.000 1.025 69 V CA -0.869 61.391 62.300 -0.067 0.000 0.859 69 V CB 1.188 32.979 31.823 -0.054 0.000 0.988 69 V HN 1.063 nan 8.190 nan 0.000 0.431 70 A N 4.983 127.704 122.820 -0.164 0.000 2.318 70 A HA 0.881 5.201 4.320 0.001 0.000 0.324 70 A C -1.112 176.481 177.584 0.015 0.000 1.170 70 A CA -0.537 51.454 52.037 -0.076 0.000 0.810 70 A CB 1.303 20.181 19.000 -0.204 0.000 1.198 70 A HN 0.847 nan 8.150 nan 0.000 0.484 71 L N 4.278 125.529 121.223 0.047 0.000 2.316 71 L HA 0.683 5.024 4.340 0.001 0.000 0.280 71 L C -0.492 176.441 176.870 0.106 0.000 1.006 71 L CA -0.392 54.480 54.840 0.053 0.000 0.836 71 L CB 1.450 43.488 42.059 -0.035 0.000 1.221 71 L HN 0.771 nan 8.230 nan 0.000 0.418 72 V N 1.276 121.260 119.914 0.117 0.000 2.914 72 V HA 0.721 4.842 4.120 0.001 0.000 0.314 72 V C 0.113 176.243 176.094 0.059 0.000 1.084 72 V CA -0.411 61.948 62.300 0.098 0.000 0.963 72 V CB 1.500 33.387 31.823 0.108 0.000 1.025 72 V HN 0.732 nan 8.190 nan 0.000 0.432 73 T N 1.750 116.307 114.554 0.004 0.000 2.810 73 T HA 0.690 5.041 4.350 0.001 0.000 0.277 73 T C 0.571 175.200 174.700 -0.118 0.000 0.973 73 T CA 0.350 62.406 62.100 -0.074 0.000 0.949 73 T CB 1.060 69.853 68.868 -0.125 0.000 1.075 73 T HN 1.687 nan 8.240 nan 0.000 0.537 74 A N 0.303 122.943 122.820 -0.300 0.000 2.448 74 A HA 0.544 4.865 4.320 0.001 0.000 0.239 74 A C 1.502 178.940 177.584 -0.244 0.000 1.080 74 A CA 0.432 52.253 52.037 -0.360 0.000 0.779 74 A CB -1.154 17.388 19.000 -0.763 0.000 1.026 74 A HN 1.785 nan 8.150 nan 0.000 0.499 75 G N 1.241 109.954 108.800 -0.146 0.000 2.675 75 G HA2 -0.202 3.758 3.960 0.001 0.000 0.312 75 G HA3 -0.202 3.758 3.960 0.001 0.000 0.312 75 G C 1.622 176.521 174.900 -0.001 0.000 1.186 75 G CA 1.365 46.422 45.100 -0.072 0.000 0.965 75 G HN 2.004 nan 8.290 nan 0.000 0.548 76 G N 0.662 109.434 108.800 -0.048 0.000 2.440 76 G HA2 0.156 4.117 3.960 0.001 0.000 0.218 76 G HA3 0.156 4.117 3.960 0.001 0.000 0.218 76 G C 1.978 176.843 174.900 -0.058 0.000 1.154 76 G CA 2.314 47.385 45.100 -0.049 0.000 0.767 76 G HN 1.807 nan 8.290 nan 0.000 0.552 77 G N 0.522 109.287 108.800 -0.057 0.000 2.446 77 G HA2 -0.245 3.716 3.960 0.001 0.000 0.217 77 G HA3 -0.245 3.716 3.960 0.001 0.000 0.217 77 G C 1.629 176.529 174.900 -0.001 0.000 1.168 77 G CA 1.103 46.177 45.100 -0.043 0.000 0.771 77 G HN 0.429 nan 8.290 nan 0.000 0.551 78 F N 2.679 122.571 119.950 -0.095 0.000 2.084 78 F HA -0.110 4.417 4.527 0.001 0.000 0.296 78 F C 3.029 178.772 175.800 -0.095 0.000 1.111 78 F CA 2.460 60.407 58.000 -0.089 0.000 1.224 78 F CB -0.770 38.169 39.000 -0.103 0.000 0.991 78 F HN 0.207 nan 8.300 nan 0.000 0.471 79 T N -1.311 113.124 114.554 -0.197 0.000 2.803 79 T HA -0.203 4.148 4.350 0.001 0.000 0.269 79 T C 1.673 176.207 174.700 -0.277 0.000 1.052 79 T CA 1.551 63.475 62.100 -0.293 0.000 1.136 79 T CB -0.736 68.100 68.868 -0.054 0.000 0.864 79 T HN 0.274 nan 8.240 nan 0.000 0.467 80 N N 1.866 120.455 118.700 -0.186 0.000 2.459 80 N HA 0.194 4.934 4.740 0.001 0.000 0.181 80 N C 1.696 177.137 175.510 -0.116 0.000 1.046 80 N CA 0.972 53.961 53.050 -0.102 0.000 0.904 80 N CB -0.315 38.080 38.487 -0.153 0.000 0.964 80 N HN 0.675 nan 8.380 nan 0.000 0.444 81 A N -0.251 122.418 122.820 -0.252 0.000 2.308 81 A HA 0.173 4.494 4.320 0.001 0.000 0.217 81 A C 2.088 179.414 177.584 -0.431 0.000 1.216 81 A CA -0.071 51.811 52.037 -0.258 0.000 0.864 81 A CB 0.019 18.927 19.000 -0.154 0.000 0.902 81 A HN 0.013 nan 8.150 nan 0.000 0.499 82 V N 0.044 119.665 119.914 -0.489 0.000 2.295 82 V HA -0.242 3.879 4.120 0.001 0.000 0.246 82 V C 2.779 178.700 176.094 -0.289 0.000 1.049 82 V CA 2.728 64.741 62.300 -0.478 0.000 1.024 82 V CB -1.042 30.528 31.823 -0.423 0.000 0.648 82 V HN 0.612 nan 8.190 nan 0.000 0.447 83 T N 0.145 114.590 114.554 -0.182 0.000 2.652 83 T HA -0.130 4.221 4.350 0.001 0.000 0.267 83 T C -0.033 174.667 174.700 -0.001 0.000 1.039 83 T CA 1.983 64.044 62.100 -0.066 0.000 1.153 83 T CB -1.408 67.461 68.868 0.001 0.000 0.863 83 T HN 0.425 nan 8.240 nan 0.000 0.428 84 P HA -0.073 nan 4.420 nan 0.000 0.216 84 P C 1.502 178.845 177.300 0.071 0.000 1.157 84 P CA 1.078 64.189 63.100 0.019 0.000 0.880 84 P CB -0.240 31.390 31.700 -0.117 0.000 0.791 85 I N -0.718 119.677 120.570 -0.293 0.000 2.163 85 I HA -0.288 3.882 4.170 0.001 0.000 0.243 85 I C 2.385 178.471 176.117 -0.051 0.000 1.085 85 I CA 1.747 62.785 61.300 -0.436 0.000 1.347 85 I CB -0.953 36.602 38.000 -0.742 0.000 1.044 85 I HN -0.090 nan 8.210 nan 0.000 0.408 86 A N 0.528 123.316 122.820 -0.054 0.000 1.940 86 A HA -0.267 4.053 4.320 0.001 0.000 0.219 86 A C 2.060 179.757 177.584 0.187 0.000 1.176 86 A CA 2.422 54.496 52.037 0.062 0.000 0.631 86 A CB -0.808 18.193 19.000 0.002 0.000 0.814 86 A HN 0.484 nan 8.150 nan 0.000 0.446 87 N N -0.045 118.748 118.700 0.155 0.000 2.135 87 N HA 0.009 4.750 4.740 0.001 0.000 0.186 87 N C 1.760 177.380 175.510 0.183 0.000 1.027 87 N CA 1.640 54.784 53.050 0.156 0.000 0.849 87 N CB -0.391 38.184 38.487 0.147 0.000 1.002 87 N HN 0.313 nan 8.380 nan 0.000 0.425 88 A N 0.504 123.467 122.820 0.238 0.000 1.978 88 A HA -0.170 4.151 4.320 0.001 0.000 0.220 88 A C 2.091 179.834 177.584 0.265 0.000 1.170 88 A CA 1.152 53.339 52.037 0.249 0.000 0.636 88 A CB -1.287 17.925 19.000 0.354 0.000 0.810 88 A HN 0.705 nan 8.150 nan 0.000 0.448 89 W N 0.485 121.843 121.300 0.097 0.000 2.329 89 W HA -0.215 4.445 4.660 0.001 0.000 0.324 89 W C 1.577 178.141 176.519 0.075 0.000 1.222 89 W CA 1.826 59.216 57.345 0.076 0.000 1.270 89 W CB -0.357 29.129 29.460 0.043 0.000 1.167 89 W HN 0.306 nan 8.180 nan 0.000 0.467 90 L N 0.511 121.738 121.223 0.006 0.000 2.179 90 L HA -0.156 4.185 4.340 0.001 0.000 0.208 90 L C 1.516 178.400 176.870 0.023 0.000 1.096 90 L CA 1.243 56.025 54.840 -0.096 0.000 0.779 90 L CB -0.776 41.353 42.059 0.116 0.000 0.922 90 L HN -0.173 nan 8.230 nan 0.000 0.443 91 D N 0.104 120.533 120.400 0.049 0.000 2.349 91 D HA 0.014 4.654 4.640 0.001 0.000 0.224 91 D C 0.171 176.477 176.300 0.010 0.000 1.029 91 D CA 0.086 54.109 54.000 0.037 0.000 0.879 91 D CB 0.032 40.838 40.800 0.011 0.000 0.906 91 D HN 0.011 nan 8.370 nan 0.000 0.528 92 R N -0.190 120.291 120.500 -0.032 0.000 3.205 92 R HA -0.131 4.210 4.340 0.001 0.000 0.249 92 R C -0.737 175.571 176.300 0.013 0.000 0.937 92 R CA 0.517 56.590 56.100 -0.044 0.000 0.641 92 R CB -2.434 27.831 30.300 -0.059 0.000 1.114 92 R HN 0.077 nan 8.270 nan 0.000 0.451 93 T N 1.424 116.012 114.554 0.056 0.000 2.807 93 T HA 0.410 4.761 4.350 0.001 0.000 0.279 93 T C -2.486 172.273 174.700 0.098 0.000 0.993 93 T CA -1.601 60.538 62.100 0.065 0.000 0.970 93 T CB 2.088 70.995 68.868 0.065 0.000 0.950 93 T HN -0.029 nan 8.240 nan 0.000 0.441 94 P HA 0.419 nan 4.420 nan 0.000 0.284 94 P C -1.110 176.232 177.300 0.069 0.000 1.343 94 P CA -0.403 62.751 63.100 0.089 0.000 0.826 94 P CB 0.399 32.140 31.700 0.069 0.000 0.956 95 V N 5.348 125.305 119.914 0.073 0.000 2.525 95 V HA 0.225 4.346 4.120 0.001 0.000 0.299 95 V C -0.077 175.966 176.094 -0.086 0.000 1.034 95 V CA -0.902 61.344 62.300 -0.090 0.000 0.863 95 V CB 2.153 33.800 31.823 -0.292 0.000 0.999 95 V HN 0.318 nan 8.190 nan 0.000 0.423 96 L N 5.712 126.872 121.223 -0.105 0.000 2.315 96 L HA 0.544 4.885 4.340 0.001 0.000 0.283 96 L C -0.894 175.885 176.870 -0.152 0.000 1.089 96 L CA 0.510 55.340 54.840 -0.016 0.000 0.833 96 L CB 0.109 42.184 42.059 0.028 0.000 1.170 96 L HN 0.469 nan 8.230 nan 0.000 0.442 97 F N 6.313 126.311 119.950 0.080 0.000 2.313 97 F HA 0.391 4.919 4.527 0.001 0.000 0.369 97 F C -0.121 175.716 175.800 0.061 0.000 1.109 97 F CA -0.437 57.605 58.000 0.070 0.000 1.132 97 F CB 0.657 39.701 39.000 0.074 0.000 1.291 97 F HN 0.268 nan 8.300 nan 0.000 0.496 98 L N 3.331 124.655 121.223 0.169 0.000 2.281 98 L HA 0.438 4.778 4.340 0.001 0.000 0.285 98 L C 0.389 177.341 176.870 0.136 0.000 1.074 98 L CA -0.172 54.740 54.840 0.119 0.000 0.817 98 L CB 1.257 43.354 42.059 0.063 0.000 1.168 98 L HN 0.495 nan 8.230 nan 0.000 0.434 99 T N 2.183 116.803 114.554 0.110 0.000 2.876 99 T HA 0.628 4.979 4.350 0.001 0.000 0.289 99 T C 0.161 174.877 174.700 0.027 0.000 1.014 99 T CA -0.395 61.760 62.100 0.092 0.000 0.986 99 T CB 1.521 70.475 68.868 0.143 0.000 1.021 99 T HN 0.691 nan 8.240 nan 0.000 0.458 100 G N 1.954 110.758 108.800 0.007 0.000 2.599 100 G HA2 0.581 4.542 3.960 0.001 0.000 0.264 100 G HA3 0.581 4.542 3.960 0.001 0.000 0.264 100 G C -0.328 174.520 174.900 -0.087 0.000 1.200 100 G CA 0.027 45.117 45.100 -0.016 0.000 0.896 100 G HN 1.236 nan 8.290 nan 0.000 0.536 101 S N -1.591 114.073 115.700 -0.060 0.000 2.636 101 S HA 0.673 5.144 4.470 0.001 0.000 0.268 101 S C 0.081 174.698 174.600 0.029 0.000 1.159 101 S CA -0.202 57.937 58.200 -0.102 0.000 0.815 101 S CB 0.829 63.956 63.200 -0.122 0.000 1.130 101 S HN 1.549 nan 8.310 nan 0.000 0.471 102 G N 0.428 109.236 108.800 0.013 0.000 2.391 102 G HA2 0.484 4.444 3.960 0.001 0.000 0.234 102 G HA3 0.484 4.444 3.960 0.001 0.000 0.234 102 G C 0.521 175.529 174.900 0.180 0.000 1.284 102 G CA -0.079 45.103 45.100 0.137 0.000 0.873 102 G HN 1.403 nan 8.290 nan 0.000 0.549 103 A N 1.715 124.694 122.820 0.266 0.000 2.483 103 A HA 0.303 4.624 4.320 0.001 0.000 0.238 103 A C 1.564 179.190 177.584 0.069 0.000 1.070 103 A CA -0.290 51.845 52.037 0.164 0.000 0.770 103 A CB 0.278 19.338 19.000 0.099 0.000 1.008 103 A HN 0.722 nan 8.150 nan 0.000 0.497 104 L N 1.328 122.569 121.223 0.030 0.000 2.044 104 L HA -0.059 4.282 4.340 0.001 0.000 0.205 104 L C 1.746 178.614 176.870 -0.004 0.000 1.075 104 L CA 1.103 55.946 54.840 0.004 0.000 0.747 104 L CB -0.485 41.569 42.059 -0.008 0.000 0.903 104 L HN 0.911 nan 8.230 nan 0.000 0.435 105 R N 1.323 121.814 120.500 -0.016 0.000 2.698 105 R HA -0.042 4.299 4.340 0.001 0.000 0.266 105 R C 0.261 176.557 176.300 -0.007 0.000 1.026 105 R CA 0.464 56.551 56.100 -0.022 0.000 1.102 105 R CB -0.247 30.026 30.300 -0.045 0.000 0.978 105 R HN 0.398 nan 8.270 nan 0.000 0.436 106 D N -1.633 118.765 120.400 -0.004 0.000 2.945 106 D HA -0.247 4.393 4.640 0.001 0.000 0.225 106 D C -0.779 175.535 176.300 0.022 0.000 1.158 106 D CA 1.506 55.513 54.000 0.011 0.000 0.805 106 D CB -1.559 39.252 40.800 0.019 0.000 1.098 106 D HN 0.805 nan 8.370 nan 0.000 0.426 107 D N 0.633 121.040 120.400 0.011 0.000 2.443 107 D HA 0.215 4.856 4.640 0.001 0.000 0.239 107 D C 0.609 176.910 176.300 0.003 0.000 1.136 107 D CA 0.655 54.659 54.000 0.006 0.000 0.879 107 D CB 0.471 41.268 40.800 -0.005 0.000 1.195 107 D HN 0.225 nan 8.370 nan 0.000 0.443 108 E N 1.634 121.835 120.200 0.001 0.000 2.513 108 E HA -0.175 4.176 4.350 0.001 0.000 0.257 108 E C 0.199 176.802 176.600 0.004 0.000 1.098 108 E CA 1.111 57.511 56.400 -0.001 0.000 0.752 108 E CB -2.244 27.453 29.700 -0.005 0.000 1.324 108 E HN 0.645 nan 8.360 nan 0.000 0.403 109 T N -3.429 111.132 114.554 0.012 0.000 3.174 109 T HA 0.152 4.503 4.350 0.001 0.000 0.269 109 T C 0.657 175.368 174.700 0.018 0.000 1.017 109 T CA 0.017 62.126 62.100 0.015 0.000 0.899 109 T CB 0.169 69.050 68.868 0.021 0.000 1.077 109 T HN 0.077 nan 8.240 nan 0.000 0.552 110 N N 1.337 120.045 118.700 0.014 0.000 2.678 110 N HA -0.147 4.594 4.740 0.001 0.000 0.249 110 N C 0.179 175.702 175.510 0.023 0.000 1.119 110 N CA 1.398 54.456 53.050 0.013 0.000 0.718 110 N CB -1.710 36.782 38.487 0.009 0.000 1.060 110 N HN 0.655 nan 8.380 nan 0.000 0.552 111 T N -0.065 114.511 114.554 0.036 0.000 2.788 111 T HA 0.360 4.711 4.350 0.001 0.000 0.287 111 T C 0.561 175.296 174.700 0.059 0.000 1.007 111 T CA -0.708 61.426 62.100 0.057 0.000 1.005 111 T CB 0.640 69.559 68.868 0.085 0.000 1.012 111 T HN 0.219 nan 8.240 nan 0.000 0.530 112 L N 3.328 124.598 121.223 0.078 0.000 2.601 112 L HA 0.109 4.450 4.340 0.001 0.000 0.277 112 L C 0.972 177.869 176.870 0.047 0.000 1.219 112 L CA 1.040 55.919 54.840 0.064 0.000 0.915 112 L CB -0.443 41.666 42.059 0.084 0.000 1.160 112 L HN 0.944 nan 8.230 nan 0.000 0.494 113 Q N 2.126 121.912 119.800 -0.024 0.000 2.468 113 Q HA -0.310 4.030 4.340 0.001 0.000 0.256 113 Q C 0.859 176.792 176.000 -0.112 0.000 0.984 113 Q CA 0.895 56.631 55.803 -0.111 0.000 1.110 113 Q CB -1.790 26.787 28.738 -0.268 0.000 1.527 113 Q HN 0.918 nan 8.270 nan 0.000 0.535 114 A N -0.710 122.086 122.820 -0.039 0.000 2.108 114 A HA 0.370 4.691 4.320 0.001 0.000 0.206 114 A C 1.735 179.295 177.584 -0.040 0.000 1.212 114 A CA 0.761 52.785 52.037 -0.023 0.000 0.843 114 A CB 0.287 19.309 19.000 0.037 0.000 0.902 114 A HN 0.425 nan 8.150 nan 0.000 0.477 115 G N 0.716 109.495 108.800 -0.036 0.000 3.383 115 G HA2 0.421 4.382 3.960 0.001 0.000 0.251 115 G HA3 0.421 4.382 3.960 0.001 0.000 0.251 115 G C 0.341 175.213 174.900 -0.046 0.000 1.203 115 G CA 0.163 45.242 45.100 -0.035 0.000 0.852 115 G HN 0.623 nan 8.290 nan 0.000 0.531 116 I N -2.943 117.587 120.570 -0.067 0.000 2.378 116 I HA 0.420 4.591 4.170 0.001 0.000 0.291 116 I C -1.132 174.909 176.117 -0.126 0.000 0.992 116 I CA -1.161 60.096 61.300 -0.071 0.000 1.154 116 I CB 2.126 40.104 38.000 -0.038 0.000 1.315 116 I HN -0.276 nan 8.210 nan 0.000 0.448 117 D N 5.687 126.020 120.400 -0.112 0.000 2.441 117 D HA 0.028 4.669 4.640 0.001 0.000 0.243 117 D C 0.886 177.054 176.300 -0.220 0.000 1.257 117 D CA 0.478 54.388 54.000 -0.150 0.000 1.027 117 D CB 0.786 41.523 40.800 -0.105 0.000 1.084 117 D HN 0.702 nan 8.370 nan 0.000 0.514 118 Q N 1.192 120.753 119.800 -0.397 0.000 2.119 118 Q HA -0.100 4.241 4.340 0.001 0.000 0.201 118 Q C 2.057 177.710 176.000 -0.579 0.000 0.972 118 Q CA 0.935 56.246 55.803 -0.820 0.000 0.847 118 Q CB 0.353 28.279 28.738 -1.353 0.000 0.903 118 Q HN 0.370 nan 8.270 nan 0.000 0.433 119 V N 0.834 120.517 119.914 -0.385 0.000 2.358 119 V HA -0.261 3.860 4.120 0.001 0.000 0.246 119 V C 2.240 178.233 176.094 -0.168 0.000 1.047 119 V CA 1.738 63.878 62.300 -0.265 0.000 1.035 119 V CB -0.943 30.722 31.823 -0.264 0.000 0.658 119 V HN 0.393 nan 8.190 nan 0.000 0.452 120 A N -0.487 122.246 122.820 -0.144 0.000 1.933 120 A HA -0.227 4.093 4.320 0.001 0.000 0.218 120 A C 2.252 179.799 177.584 -0.062 0.000 1.175 120 A CA 2.162 54.144 52.037 -0.091 0.000 0.628 120 A CB -0.444 18.509 19.000 -0.078 0.000 0.814 120 A HN 0.498 nan 8.150 nan 0.000 0.444 121 M N -0.841 118.742 119.600 -0.030 0.000 2.132 121 M HA -0.095 4.386 4.480 0.001 0.000 0.263 121 M C 2.460 178.784 176.300 0.040 0.000 1.065 121 M CA 1.463 56.792 55.300 0.049 0.000 1.122 121 M CB -0.382 32.342 32.600 0.206 0.000 1.365 121 M HN 0.460 nan 8.290 nan 0.000 0.411 122 A N 0.202 123.073 122.820 0.085 0.000 2.119 122 A HA 0.180 4.500 4.320 0.001 0.000 0.216 122 A C 2.334 179.840 177.584 -0.130 0.000 1.152 122 A CA 1.219 53.258 52.037 0.003 0.000 0.708 122 A CB -0.643 18.409 19.000 0.088 0.000 0.805 122 A HN 0.459 nan 8.150 nan 0.000 0.460 123 A N 1.113 123.862 122.820 -0.120 0.000 1.892 123 A HA -0.114 4.206 4.320 0.001 0.000 0.218 123 A C 0.216 177.672 177.584 -0.214 0.000 1.188 123 A CA 2.014 53.968 52.037 -0.139 0.000 0.631 123 A CB -1.735 17.208 19.000 -0.094 0.000 0.822 123 A HN 0.474 nan 8.150 nan 0.000 0.447 124 P HA -0.021 nan 4.420 nan 0.000 0.226 124 P C 0.805 177.736 177.300 -0.614 0.000 1.153 124 P CA 0.959 63.883 63.100 -0.292 0.000 0.777 124 P CB -0.094 31.492 31.700 -0.190 0.000 0.794 125 I N -5.128 115.016 120.570 -0.710 0.000 3.966 125 I HA 0.319 4.490 4.170 0.001 0.000 0.324 125 I C -0.398 175.150 176.117 -0.948 0.000 1.517 125 I CA -0.504 60.112 61.300 -1.140 0.000 1.117 125 I CB 0.156 37.832 38.000 -0.540 0.000 1.190 125 I HN -0.247 nan 8.210 nan 0.000 0.466 126 T N -3.204 110.903 114.554 -0.745 0.000 2.907 126 T HA 0.455 4.806 4.350 0.001 0.000 0.292 126 T C 0.471 175.138 174.700 -0.055 0.000 1.043 126 T CA -0.791 61.184 62.100 -0.208 0.000 1.003 126 T CB 2.791 71.629 68.868 -0.050 0.000 1.084 126 T HN 0.051 nan 8.240 nan 0.000 0.483 127 K N -0.251 120.375 120.400 0.377 0.000 2.097 127 K HA 0.022 4.343 4.320 0.001 0.000 0.206 127 K C -0.131 176.692 176.600 0.371 0.000 1.049 127 K CA 1.203 57.752 56.287 0.438 0.000 0.933 127 K CB 0.093 32.833 32.500 0.399 0.000 0.717 127 K HN 0.660 nan 8.250 nan 0.000 0.442 128 W N -0.654 120.711 121.300 0.108 0.000 3.274 128 W HA 0.475 5.136 4.660 0.001 0.000 0.327 128 W C -2.091 174.475 176.519 0.079 0.000 1.172 128 W CA -0.978 56.414 57.345 0.078 0.000 1.217 128 W CB 1.429 30.936 29.460 0.077 0.000 1.376 128 W HN -0.133 nan 8.180 nan 0.000 0.507 129 A N 4.339 126.938 122.820 -0.369 0.000 2.353 129 A HA 0.694 5.015 4.320 0.001 0.000 0.299 129 A C -2.117 175.077 177.584 -0.650 0.000 1.089 129 A CA -0.386 51.382 52.037 -0.448 0.000 0.736 129 A CB 1.268 20.141 19.000 -0.213 0.000 1.195 129 A HN 0.785 nan 8.150 nan 0.000 0.447 130 H N 0.534 119.098 119.070 -0.844 0.000 2.996 130 H HA 0.653 5.210 4.556 0.001 0.000 0.368 130 H C -0.785 174.317 175.328 -0.377 0.000 1.185 130 H CA -0.460 55.183 56.048 -0.675 0.000 1.160 130 H CB 1.466 30.604 29.762 -1.040 0.000 1.820 130 H HN 0.705 nan 8.280 nan 0.000 0.547 131 R N 3.768 123.809 120.500 -0.766 0.000 2.343 131 R HA 0.446 4.787 4.340 0.001 0.000 0.320 131 R C -1.104 175.036 176.300 -0.266 0.000 0.956 131 R CA -0.810 55.043 56.100 -0.412 0.000 0.836 131 R CB 0.878 30.973 30.300 -0.341 0.000 1.151 131 R HN 0.411 nan 8.270 nan 0.000 0.450 132 V N 6.317 126.210 119.914 -0.035 0.000 2.585 132 V HA -0.004 4.117 4.120 0.001 0.000 0.296 132 V C 1.172 177.301 176.094 0.058 0.000 1.035 132 V CA 0.248 62.609 62.300 0.101 0.000 1.084 132 V CB 1.295 33.186 31.823 0.114 0.000 0.953 132 V HN 0.860 nan 8.190 nan 0.000 0.483 133 M N 3.013 122.684 119.600 0.119 0.000 2.421 133 M HA 0.391 4.872 4.480 0.001 0.000 0.258 133 M C 0.478 176.752 176.300 -0.043 0.000 1.122 133 M CA 0.430 55.760 55.300 0.050 0.000 1.078 133 M CB 0.425 33.085 32.600 0.100 0.000 1.380 133 M HN 0.740 nan 8.290 nan 0.000 0.499 134 A N -0.432 122.301 122.820 -0.147 0.000 2.515 134 A HA 0.596 4.916 4.320 0.001 0.000 0.298 134 A C 0.749 178.206 177.584 -0.212 0.000 1.059 134 A CA -0.422 51.421 52.037 -0.324 0.000 0.698 134 A CB 0.749 19.283 19.000 -0.777 0.000 1.289 134 A HN 0.162 nan 8.150 nan 0.000 0.404 135 T N 0.784 115.262 114.554 -0.127 0.000 2.821 135 T HA -0.095 4.256 4.350 0.001 0.000 0.267 135 T C 1.369 176.058 174.700 -0.018 0.000 1.046 135 T CA 2.314 64.388 62.100 -0.043 0.000 1.139 135 T CB -0.162 68.689 68.868 -0.028 0.000 0.871 135 T HN 0.777 nan 8.240 nan 0.000 0.454 136 E N 0.725 120.890 120.200 -0.058 0.000 2.204 136 E HA -0.103 4.248 4.350 0.001 0.000 0.195 136 E C 1.719 178.407 176.600 0.147 0.000 0.990 136 E CA 0.935 57.351 56.400 0.026 0.000 0.821 136 E CB -0.370 29.344 29.700 0.024 0.000 0.750 136 E HN 0.707 nan 8.360 nan 0.000 0.477 137 H N -0.466 118.633 119.070 0.048 0.000 2.546 137 H HA 0.073 4.630 4.556 0.001 0.000 0.277 137 H C 1.748 177.118 175.328 0.070 0.000 1.004 137 H CA 0.065 56.151 56.048 0.062 0.000 1.231 137 H CB 0.078 29.888 29.762 0.081 0.000 1.382 137 H HN 0.121 nan 8.280 nan 0.000 0.580 138 I N 1.179 121.854 120.570 0.174 0.000 2.091 138 I HA -0.225 3.946 4.170 0.001 0.000 0.239 138 I C -0.613 175.570 176.117 0.109 0.000 1.061 138 I CA 1.310 62.686 61.300 0.128 0.000 1.317 138 I CB -0.981 37.072 38.000 0.088 0.000 1.031 138 I HN 0.207 nan 8.210 nan 0.000 0.401 139 P HA -0.202 nan 4.420 nan 0.000 0.215 139 P C 1.281 178.621 177.300 0.066 0.000 1.157 139 P CA 1.722 64.861 63.100 0.064 0.000 0.868 139 P CB -0.175 31.555 31.700 0.050 0.000 0.788 140 R N -0.277 120.265 120.500 0.069 0.000 2.096 140 R HA -0.047 4.294 4.340 0.001 0.000 0.235 140 R C 2.138 178.478 176.300 0.068 0.000 1.127 140 R CA 1.441 57.569 56.100 0.047 0.000 0.968 140 R CB -1.664 28.647 30.300 0.018 0.000 0.861 140 R HN 0.165 nan 8.270 nan 0.000 0.440 141 L N 0.768 122.062 121.223 0.120 0.000 2.109 141 L HA -0.057 4.284 4.340 0.001 0.000 0.207 141 L C 2.427 179.432 176.870 0.223 0.000 1.086 141 L CA 0.614 55.576 54.840 0.202 0.000 0.760 141 L CB -0.291 41.916 42.059 0.246 0.000 0.910 141 L HN 0.066 nan 8.230 nan 0.000 0.437 142 V N -0.437 119.569 119.914 0.154 0.000 2.295 142 V HA -0.326 3.795 4.120 0.001 0.000 0.246 142 V C 2.450 178.616 176.094 0.120 0.000 1.049 142 V CA 1.866 64.245 62.300 0.131 0.000 1.024 142 V CB -0.353 31.521 31.823 0.085 0.000 0.648 142 V HN 0.366 nan 8.190 nan 0.000 0.447 143 M N -0.429 119.222 119.600 0.085 0.000 2.229 143 M HA -0.154 4.327 4.480 0.001 0.000 0.264 143 M C 2.142 178.472 176.300 0.050 0.000 1.063 143 M CA 1.670 57.003 55.300 0.055 0.000 1.114 143 M CB -0.654 31.965 32.600 0.030 0.000 1.387 143 M HN 0.378 nan 8.290 nan 0.000 0.420 144 Q N -0.836 118.996 119.800 0.054 0.000 2.084 144 Q HA -0.152 4.189 4.340 0.001 0.000 0.202 144 Q C 1.914 177.933 176.000 0.033 0.000 0.978 144 Q CA 1.823 57.612 55.803 -0.023 0.000 0.844 144 Q CB -0.175 28.502 28.738 -0.101 0.000 0.898 144 Q HN 0.589 nan 8.270 nan 0.000 0.426 145 A N 0.721 123.699 122.820 0.264 0.000 1.902 145 A HA -0.180 4.140 4.320 0.001 0.000 0.217 145 A C 1.978 179.693 177.584 0.218 0.000 1.181 145 A CA 1.409 53.687 52.037 0.401 0.000 0.623 145 A CB -0.691 18.561 19.000 0.421 0.000 0.818 145 A HN 0.487 nan 8.150 nan 0.000 0.443 146 I N -0.884 119.771 120.570 0.142 0.000 2.226 146 I HA -0.278 3.893 4.170 0.001 0.000 0.245 146 I C 2.770 178.929 176.117 0.070 0.000 1.100 146 I CA 1.309 62.667 61.300 0.097 0.000 1.374 146 I CB -0.385 37.656 38.000 0.068 0.000 1.057 146 I HN 0.305 nan 8.210 nan 0.000 0.413 147 R N 0.884 121.409 120.500 0.042 0.000 2.083 147 R HA -0.181 4.159 4.340 0.001 0.000 0.237 147 R C 2.486 178.798 176.300 0.020 0.000 1.137 147 R CA 1.655 57.762 56.100 0.011 0.000 0.951 147 R CB -0.630 29.654 30.300 -0.026 0.000 0.851 147 R HN 0.378 nan 8.270 nan 0.000 0.434 148 A N 1.283 124.121 122.820 0.030 0.000 1.908 148 A HA -0.159 4.161 4.320 0.001 0.000 0.218 148 A C 2.374 180.026 177.584 0.112 0.000 1.181 148 A CA 1.896 53.968 52.037 0.058 0.000 0.627 148 A CB -0.596 18.463 19.000 0.099 0.000 0.818 148 A HN 0.436 nan 8.150 nan 0.000 0.445 149 A N -0.689 122.211 122.820 0.134 0.000 1.929 149 A HA 0.124 4.445 4.320 0.001 0.000 0.216 149 A C 2.083 179.721 177.584 0.090 0.000 1.176 149 A CA 1.259 53.378 52.037 0.136 0.000 0.628 149 A CB -0.445 18.642 19.000 0.145 0.000 0.816 149 A HN 0.448 nan 8.150 nan 0.000 0.444 150 L N 0.671 121.933 121.223 0.065 0.000 2.313 150 L HA -0.001 4.340 4.340 0.001 0.000 0.214 150 L C 1.168 178.054 176.870 0.027 0.000 1.119 150 L CA 0.459 55.323 54.840 0.041 0.000 0.809 150 L CB -0.278 41.799 42.059 0.029 0.000 0.933 150 L HN 0.467 nan 8.230 nan 0.000 0.449 151 S N 0.095 115.812 115.700 0.028 0.000 2.610 151 S HA 0.598 5.069 4.470 0.001 0.000 0.273 151 S C 0.170 174.781 174.600 0.019 0.000 1.274 151 S CA -0.845 57.364 58.200 0.016 0.000 1.023 151 S CB 1.766 64.971 63.200 0.008 0.000 0.962 151 S HN 0.123 nan 8.310 nan 0.000 0.523 152 A N 3.143 125.968 122.820 0.009 0.000 2.520 152 A HA 0.513 4.833 4.320 0.001 0.000 0.245 152 A C -2.195 175.392 177.584 0.005 0.000 1.072 152 A CA -1.140 50.899 52.037 0.004 0.000 0.761 152 A CB -0.782 18.218 19.000 -0.001 0.000 1.004 152 A HN 0.720 nan 8.150 nan 0.000 0.499 153 P HA 0.406 nan 4.420 nan 0.000 0.292 153 P C -0.562 176.738 177.300 0.000 0.000 1.287 153 P CA -0.664 62.426 63.100 -0.016 0.000 0.800 153 P CB 0.780 32.450 31.700 -0.051 0.000 0.945 154 R N 1.482 121.987 120.500 0.009 0.000 2.638 154 R HA 0.492 4.833 4.340 0.001 0.000 0.268 154 R C 1.142 177.470 176.300 0.047 0.000 1.006 154 R CA 1.272 57.394 56.100 0.036 0.000 1.088 154 R CB -0.442 29.876 30.300 0.031 0.000 0.950 154 R HN 0.825 nan 8.270 nan 0.000 0.419 155 G N 2.168 111.035 108.800 0.112 0.000 2.559 155 G HA2 0.467 4.427 3.960 0.001 0.000 0.291 155 G HA3 0.467 4.427 3.960 0.001 0.000 0.291 155 G C -3.032 172.031 174.900 0.270 0.000 1.424 155 G CA -1.077 44.136 45.100 0.188 0.000 0.786 155 G HN 0.424 nan 8.290 nan 0.000 0.485 156 P HA 0.584 nan 4.420 nan 0.000 0.281 156 P C -0.780 176.753 177.300 0.389 0.000 1.249 156 P CA -0.510 62.848 63.100 0.429 0.000 0.810 156 P CB 2.097 34.122 31.700 0.541 0.000 1.008 157 V N 2.645 122.796 119.914 0.395 0.000 2.841 157 V HA 0.347 4.468 4.120 0.001 0.000 0.310 157 V C -0.269 176.007 176.094 0.303 0.000 1.090 157 V CA -0.747 61.745 62.300 0.319 0.000 0.930 157 V CB 2.103 34.124 31.823 0.330 0.000 1.014 157 V HN 0.395 nan 8.190 nan 0.000 0.425 158 L N 4.838 126.146 121.223 0.140 0.000 2.294 158 L HA 0.647 4.988 4.340 0.001 0.000 0.283 158 L C -0.911 175.925 176.870 -0.057 0.000 1.015 158 L CA -0.288 54.608 54.840 0.094 0.000 0.831 158 L CB 1.238 43.324 42.059 0.045 0.000 1.217 158 L HN 0.653 nan 8.230 nan 0.000 0.420 159 L N 5.228 126.456 121.223 0.009 0.000 2.259 159 L HA 0.418 4.759 4.340 0.001 0.000 0.288 159 L C -0.436 176.413 176.870 -0.035 0.000 1.051 159 L CA 0.083 54.895 54.840 -0.048 0.000 0.824 159 L CB 0.771 42.849 42.059 0.032 0.000 1.206 159 L HN 0.552 nan 8.230 nan 0.000 0.429 160 D N 5.627 125.963 120.400 -0.107 0.000 2.295 160 D HA 0.200 4.841 4.640 0.001 0.000 0.248 160 D C -0.947 175.317 176.300 -0.060 0.000 1.154 160 D CA -0.079 53.853 54.000 -0.113 0.000 0.857 160 D CB 0.790 41.465 40.800 -0.209 0.000 1.117 160 D HN 0.486 nan 8.370 nan 0.000 0.468 161 L N 6.360 127.573 121.223 -0.016 0.000 2.337 161 L HA 0.325 4.666 4.340 0.001 0.000 0.269 161 L C -2.203 174.702 176.870 0.058 0.000 1.018 161 L CA -1.864 52.994 54.840 0.029 0.000 0.876 161 L CB 1.748 43.840 42.059 0.056 0.000 1.236 161 L HN 0.164 nan 8.230 nan 0.000 0.436 162 P HA -0.129 nan 4.420 nan 0.000 0.264 162 P C 0.173 177.600 177.300 0.211 0.000 1.183 162 P CA 0.001 63.164 63.100 0.105 0.000 0.763 162 P CB 0.529 32.263 31.700 0.058 0.000 0.807 163 W N 4.534 125.871 121.300 0.061 0.000 2.304 163 W HA -0.248 4.413 4.660 0.001 0.000 0.315 163 W C 1.652 178.179 176.519 0.013 0.000 1.233 163 W CA 1.997 59.379 57.345 0.061 0.000 1.261 163 W CB -1.104 28.413 29.460 0.095 0.000 1.150 163 W HN 0.427 nan 8.180 nan 0.000 0.494 164 D N 0.020 120.475 120.400 0.091 0.000 2.230 164 D HA -0.261 4.380 4.640 0.001 0.000 0.189 164 D C 2.120 178.401 176.300 -0.030 0.000 1.006 164 D CA 2.645 56.611 54.000 -0.057 0.000 0.853 164 D CB -0.632 40.158 40.800 -0.016 0.000 0.959 164 D HN 0.137 nan 8.370 nan 0.000 0.449 165 I N 0.132 120.716 120.570 0.023 0.000 2.361 165 I HA -0.182 3.989 4.170 0.001 0.000 0.251 165 I C 2.354 178.493 176.117 0.037 0.000 1.133 165 I CA 0.637 61.948 61.300 0.018 0.000 1.413 165 I CB -0.133 37.883 38.000 0.026 0.000 1.073 165 I HN 0.112 nan 8.210 nan 0.000 0.424 166 L N -1.405 119.867 121.223 0.082 0.000 2.131 166 L HA -0.121 4.219 4.340 0.001 0.000 0.206 166 L C 2.427 179.342 176.870 0.074 0.000 1.087 166 L CA 1.065 55.967 54.840 0.103 0.000 0.767 166 L CB -0.396 41.769 42.059 0.176 0.000 0.917 166 L HN 0.210 nan 8.230 nan 0.000 0.441 167 M N -0.889 118.731 119.600 0.032 0.000 2.254 167 M HA -0.078 4.403 4.480 0.001 0.000 0.265 167 M C 0.776 177.048 176.300 -0.045 0.000 1.066 167 M CA 0.356 55.636 55.300 -0.032 0.000 1.123 167 M CB -0.298 32.188 32.600 -0.189 0.000 1.388 167 M HN 0.205 nan 8.290 nan 0.000 0.425 168 N N 2.539 121.209 118.700 -0.050 0.000 2.293 168 N HA -0.071 4.670 4.740 0.001 0.000 0.253 168 N C -0.840 174.657 175.510 -0.022 0.000 1.248 168 N CA 0.947 53.971 53.050 -0.044 0.000 0.845 168 N CB 0.488 38.950 38.487 -0.041 0.000 1.073 168 N HN 0.323 nan 8.380 nan 0.000 0.464 169 Q N 2.418 122.204 119.800 -0.024 0.000 2.316 169 Q HA 0.554 4.895 4.340 0.001 0.000 0.264 169 Q C -0.450 175.544 176.000 -0.010 0.000 0.987 169 Q CA -0.490 55.306 55.803 -0.011 0.000 0.852 169 Q CB 1.703 30.434 28.738 -0.011 0.000 1.287 169 Q HN 0.540 nan 8.270 nan 0.000 0.448 170 I N 0.722 121.291 120.570 -0.001 0.000 2.785 170 I HA 0.187 4.358 4.170 0.001 0.000 0.302 170 I C -0.458 175.663 176.117 0.005 0.000 1.069 170 I CA -1.102 60.197 61.300 -0.000 0.000 1.045 170 I CB 2.059 40.060 38.000 0.001 0.000 1.236 170 I HN 0.575 nan 8.210 nan 0.000 0.429 171 D N 3.609 124.011 120.400 0.005 0.000 2.426 171 D HA -0.079 4.562 4.640 0.001 0.000 0.261 171 D C 1.356 177.664 176.300 0.013 0.000 1.245 171 D CA 0.312 54.317 54.000 0.008 0.000 0.917 171 D CB 0.765 41.569 40.800 0.006 0.000 1.123 171 D HN 0.624 nan 8.370 nan 0.000 0.508 172 E N 2.460 122.669 120.200 0.016 0.000 2.209 172 E HA -0.265 4.085 4.350 0.001 0.000 0.196 172 E C 0.588 177.199 176.600 0.019 0.000 0.993 172 E CA 0.976 57.389 56.400 0.021 0.000 0.819 172 E CB -0.021 29.693 29.700 0.025 0.000 0.745 172 E HN 0.461 nan 8.360 nan 0.000 0.477 173 D N 1.077 121.487 120.400 0.016 0.000 2.264 173 D HA -0.098 4.543 4.640 0.001 0.000 0.208 173 D C 2.106 178.415 176.300 0.015 0.000 0.966 173 D CA 1.535 55.543 54.000 0.015 0.000 0.864 173 D CB 0.018 40.826 40.800 0.012 0.000 0.933 173 D HN 0.386 nan 8.370 nan 0.000 0.499 174 S N -0.530 115.179 115.700 0.016 0.000 2.458 174 S HA 0.015 4.486 4.470 0.001 0.000 0.223 174 S C 0.958 175.571 174.600 0.022 0.000 1.019 174 S CA -0.338 57.872 58.200 0.017 0.000 0.937 174 S CB 0.134 63.343 63.200 0.015 0.000 0.788 174 S HN 0.059 nan 8.310 nan 0.000 0.511 175 V N 3.774 123.703 119.914 0.024 0.000 2.427 175 V HA 0.589 4.709 4.120 0.001 0.000 0.286 175 V C -0.325 175.785 176.094 0.028 0.000 1.034 175 V CA -1.499 60.820 62.300 0.031 0.000 0.893 175 V CB 0.964 32.809 31.823 0.036 0.000 0.982 175 V HN 0.502 nan 8.190 nan 0.000 0.452 176 I N 4.880 125.467 120.570 0.028 0.000 2.532 176 I HA 0.564 4.735 4.170 0.001 0.000 0.292 176 I C -0.432 175.699 176.117 0.023 0.000 1.014 176 I CA -0.335 60.978 61.300 0.022 0.000 1.340 176 I CB 1.201 39.212 38.000 0.018 0.000 1.422 176 I HN 0.467 nan 8.210 nan 0.000 0.528 177 I N 6.119 126.698 120.570 0.016 0.000 2.337 177 I HA 0.388 4.559 4.170 0.001 0.000 0.285 177 I C -2.122 174.000 176.117 0.008 0.000 1.041 177 I CA -1.801 59.506 61.300 0.013 0.000 1.199 177 I CB 0.807 38.810 38.000 0.005 0.000 1.370 177 I HN 0.452 nan 8.210 nan 0.000 0.470 178 P HA 0.083 nan 4.420 nan 0.000 0.270 178 P C -0.638 176.663 177.300 0.002 0.000 1.223 178 P CA -0.242 62.861 63.100 0.005 0.000 0.785 178 P CB 0.579 32.282 31.700 0.006 0.000 0.923 179 D N 0.486 120.886 120.400 -0.001 0.000 2.358 179 D HA 0.098 4.739 4.640 0.001 0.000 0.244 179 D C -0.033 176.266 176.300 -0.003 0.000 1.163 179 D CA -0.055 53.944 54.000 -0.003 0.000 0.945 179 D CB 0.569 41.367 40.800 -0.003 0.000 1.152 179 D HN 0.158 nan 8.370 nan 0.000 0.451 180 L N 1.951 123.172 121.223 -0.003 0.000 2.356 180 L HA 0.135 4.476 4.340 0.001 0.000 0.282 180 L C -0.810 176.056 176.870 -0.007 0.000 1.132 180 L CA -0.243 54.595 54.840 -0.003 0.000 0.923 180 L CB 0.119 42.178 42.059 -0.001 0.000 1.278 180 L HN 0.031 nan 8.230 nan 0.000 0.436 181 V N 6.462 126.371 119.914 -0.009 0.000 2.288 181 V HA 0.437 4.558 4.120 0.001 0.000 0.266 181 V C -0.324 175.762 176.094 -0.013 0.000 1.048 181 V CA -0.435 61.859 62.300 -0.010 0.000 0.842 181 V CB 0.738 32.557 31.823 -0.008 0.000 1.064 181 V HN 0.597 nan 8.190 nan 0.000 0.472 182 L N 3.928 125.142 121.223 -0.016 0.000 2.614 182 L HA 0.541 4.882 4.340 0.001 0.000 0.264 182 L C -0.106 176.747 176.870 -0.029 0.000 0.940 182 L CA 0.134 54.963 54.840 -0.018 0.000 0.903 182 L CB 2.248 44.296 42.059 -0.017 0.000 1.306 182 L HN 0.449 nan 8.230 nan 0.000 0.410 183 S N 3.145 118.831 115.700 -0.022 0.000 2.549 183 S HA 0.430 4.901 4.470 0.001 0.000 0.286 183 S C 1.432 175.969 174.600 -0.105 0.000 1.314 183 S CA 0.350 58.528 58.200 -0.037 0.000 1.062 183 S CB 1.113 64.332 63.200 0.031 0.000 0.865 183 S HN 0.976 nan 8.310 nan 0.000 0.498 184 A N 4.914 127.581 122.820 -0.255 0.000 2.066 184 A HA 0.078 4.398 4.320 0.001 0.000 0.218 184 A C 0.714 178.101 177.584 -0.329 0.000 1.157 184 A CA 0.635 52.482 52.037 -0.317 0.000 0.670 184 A CB -0.420 18.347 19.000 -0.388 0.000 0.804 184 A HN 0.929 nan 8.150 nan 0.000 0.453 185 H N 0.123 119.189 119.070 -0.006 0.000 2.562 185 H HA 0.426 4.983 4.556 0.001 0.000 0.314 185 H C 0.742 176.064 175.328 -0.011 0.000 1.079 185 H CA -0.103 55.939 56.048 -0.010 0.000 1.349 185 H CB 0.680 30.436 29.762 -0.010 0.000 1.432 185 H HN 0.235 nan 8.280 nan 0.000 0.479 186 G N 1.004 109.856 108.800 0.086 0.000 2.599 186 G HA2 0.382 4.342 3.960 0.001 0.000 0.264 186 G HA3 0.382 4.342 3.960 0.001 0.000 0.264 186 G C -0.138 174.788 174.900 0.042 0.000 1.200 186 G CA -0.391 44.735 45.100 0.043 0.000 0.896 186 G HN 0.782 nan 8.290 nan 0.000 0.536 187 A N 0.666 123.499 122.820 0.022 0.000 2.454 187 A HA 0.512 4.833 4.320 0.001 0.000 0.260 187 A C 0.976 178.560 177.584 0.000 0.000 1.106 187 A CA -0.371 51.673 52.037 0.012 0.000 0.780 187 A CB 0.036 19.040 19.000 0.006 0.000 1.044 187 A HN 0.851 nan 8.150 nan 0.000 0.498 188 R N 2.573 123.069 120.500 -0.006 0.000 2.549 188 R HA 0.630 4.971 4.340 0.001 0.000 0.267 188 R C -2.752 173.539 176.300 -0.016 0.000 1.045 188 R CA -1.590 54.498 56.100 -0.019 0.000 1.115 188 R CB -0.308 29.975 30.300 -0.028 0.000 1.121 188 R HN 0.364 nan 8.270 nan 0.000 0.543 189 P HA 0.011 nan 4.420 nan 0.000 0.272 189 P C -0.968 176.328 177.300 -0.007 0.000 1.240 189 P CA -0.295 62.797 63.100 -0.012 0.000 0.791 189 P CB 0.366 32.057 31.700 -0.015 0.000 0.978 190 D N 0.924 121.323 120.400 -0.002 0.000 2.455 190 D HA 0.014 4.655 4.640 0.001 0.000 0.241 190 D C -1.394 174.908 176.300 0.004 0.000 1.138 190 D CA -1.125 52.876 54.000 0.001 0.000 0.877 190 D CB 0.319 41.121 40.800 0.004 0.000 1.187 190 D HN 0.167 nan 8.370 nan 0.000 0.451 191 P HA -0.196 nan 4.420 nan 0.000 0.216 191 P C 0.774 178.084 177.300 0.016 0.000 1.150 191 P CA 1.548 64.655 63.100 0.011 0.000 0.843 191 P CB 0.056 31.761 31.700 0.009 0.000 0.787 192 A N -0.261 122.567 122.820 0.013 0.000 1.933 192 A HA -0.215 4.106 4.320 0.001 0.000 0.218 192 A C 1.916 179.512 177.584 0.020 0.000 1.175 192 A CA 2.041 54.088 52.037 0.016 0.000 0.628 192 A CB -1.240 17.767 19.000 0.012 0.000 0.814 192 A HN 0.114 nan 8.150 nan 0.000 0.444 193 D N -0.564 119.847 120.400 0.017 0.000 2.123 193 D HA -0.075 4.565 4.640 0.001 0.000 0.200 193 D C 1.849 178.164 176.300 0.026 0.000 0.976 193 D CA 1.044 55.056 54.000 0.020 0.000 0.831 193 D CB -0.403 40.406 40.800 0.014 0.000 0.974 193 D HN 0.366 nan 8.370 nan 0.000 0.469 194 L N 1.145 122.381 121.223 0.023 0.000 2.056 194 L HA -0.114 4.227 4.340 0.001 0.000 0.207 194 L C 1.499 178.405 176.870 0.060 0.000 1.078 194 L CA 1.725 56.582 54.840 0.029 0.000 0.749 194 L CB -0.304 41.764 42.059 0.016 0.000 0.901 194 L HN -0.174 nan 8.230 nan 0.000 0.433 195 D N -0.745 119.687 120.400 0.054 0.000 2.117 195 D HA -0.205 4.435 4.640 0.001 0.000 0.197 195 D C 2.107 178.447 176.300 0.066 0.000 0.987 195 D CA 1.222 55.260 54.000 0.064 0.000 0.829 195 D CB -0.032 40.792 40.800 0.041 0.000 0.961 195 D HN 0.532 nan 8.370 nan 0.000 0.460 196 Q N -0.137 119.695 119.800 0.052 0.000 2.369 196 Q HA 0.012 4.353 4.340 0.001 0.000 0.206 196 Q C 1.950 177.989 176.000 0.066 0.000 0.963 196 Q CA 0.664 56.497 55.803 0.050 0.000 0.894 196 Q CB 0.176 28.936 28.738 0.037 0.000 0.965 196 Q HN 0.183 nan 8.270 nan 0.000 0.475 197 A N 0.589 123.454 122.820 0.076 0.000 1.874 197 A HA -0.083 4.238 4.320 0.001 0.000 0.214 197 A C 1.957 179.629 177.584 0.147 0.000 1.189 197 A CA 0.732 52.824 52.037 0.093 0.000 0.615 197 A CB -0.432 18.611 19.000 0.072 0.000 0.830 197 A HN 0.270 nan 8.150 nan 0.000 0.443 198 L N -0.593 120.743 121.223 0.188 0.000 2.217 198 L HA -0.094 4.247 4.340 0.001 0.000 0.211 198 L C 2.936 179.952 176.870 0.245 0.000 1.107 198 L CA 0.807 55.839 54.840 0.319 0.000 0.783 198 L CB -0.465 41.845 42.059 0.419 0.000 0.919 198 L HN 0.407 nan 8.230 nan 0.000 0.442 199 A N 0.009 122.910 122.820 0.135 0.000 1.969 199 A HA -0.116 4.205 4.320 0.001 0.000 0.218 199 A C 2.277 179.910 177.584 0.081 0.000 1.169 199 A CA 1.278 53.362 52.037 0.077 0.000 0.635 199 A CB -0.461 18.567 19.000 0.046 0.000 0.810 199 A HN 0.357 nan 8.150 nan 0.000 0.445 200 L N -0.986 120.295 121.223 0.096 0.000 2.131 200 L HA -0.046 4.295 4.340 0.001 0.000 0.206 200 L C 2.441 179.374 176.870 0.106 0.000 1.087 200 L CA 0.658 55.548 54.840 0.083 0.000 0.767 200 L CB -0.271 41.831 42.059 0.073 0.000 0.917 200 L HN 0.361 nan 8.230 nan 0.000 0.441 201 L N -0.776 120.545 121.223 0.164 0.000 2.093 201 L HA -0.206 4.135 4.340 0.001 0.000 0.208 201 L C 2.724 179.733 176.870 0.232 0.000 1.085 201 L CA 1.150 56.107 54.840 0.194 0.000 0.755 201 L CB -0.371 41.833 42.059 0.242 0.000 0.904 201 L HN 0.189 nan 8.230 nan 0.000 0.435 202 R N 0.390 121.054 120.500 0.274 0.000 2.075 202 R HA -0.118 4.222 4.340 0.001 0.000 0.232 202 R C 1.532 177.886 176.300 0.090 0.000 1.126 202 R CA 1.121 57.338 56.100 0.195 0.000 0.963 202 R CB 0.111 30.432 30.300 0.035 0.000 0.858 202 R HN 0.041 nan 8.270 nan 0.000 0.435 203 K N 0.202 120.640 120.400 0.064 0.000 3.129 203 K HA 0.258 4.578 4.320 0.001 0.000 0.241 203 K C -1.525 175.088 176.600 0.021 0.000 1.239 203 K CA -0.251 56.053 56.287 0.029 0.000 1.239 203 K CB 0.739 33.250 32.500 0.018 0.000 1.347 203 K HN 0.172 nan 8.250 nan 0.000 0.435 204 A N 0.266 123.099 122.820 0.022 0.000 2.498 204 A HA 0.348 4.669 4.320 0.001 0.000 0.298 204 A C -0.020 177.534 177.584 -0.050 0.000 1.075 204 A CA -0.710 51.318 52.037 -0.014 0.000 0.714 204 A CB 1.279 20.276 19.000 -0.005 0.000 1.299 204 A HN 0.394 nan 8.150 nan 0.000 0.407 205 E N 0.349 120.482 120.200 -0.111 0.000 2.132 205 E HA 0.056 4.407 4.350 0.001 0.000 0.193 205 E C -0.045 176.348 176.600 -0.345 0.000 0.951 205 E CA 0.551 56.855 56.400 -0.161 0.000 0.843 205 E CB 0.234 29.848 29.700 -0.142 0.000 0.807 205 E HN 0.584 nan 8.360 nan 0.000 0.467 206 R N 1.606 121.782 120.500 -0.539 0.000 2.564 206 R HA 0.270 4.611 4.340 0.001 0.000 0.282 206 R C -2.618 173.212 176.300 -0.782 0.000 1.573 206 R CA -1.470 53.877 56.100 -1.253 0.000 1.588 206 R CB 1.360 30.718 30.300 -1.569 0.000 1.154 206 R HN 0.097 nan 8.270 nan 0.000 0.606 207 P HA 0.372 nan 4.420 nan 0.000 0.285 207 P C -0.606 176.905 177.300 0.352 0.000 1.269 207 P CA -0.647 62.478 63.100 0.042 0.000 0.844 207 P CB 2.118 33.849 31.700 0.052 0.000 1.094 208 V N 2.671 122.735 119.914 0.251 0.000 2.851 208 V HA 0.385 4.506 4.120 0.001 0.000 0.307 208 V C -0.099 176.107 176.094 0.187 0.000 1.129 208 V CA -0.634 61.839 62.300 0.288 0.000 0.932 208 V CB 2.194 34.214 31.823 0.327 0.000 1.024 208 V HN 0.382 nan 8.190 nan 0.000 0.426 209 I N 4.226 124.903 120.570 0.177 0.000 2.412 209 I HA 0.653 4.824 4.170 0.001 0.000 0.296 209 I C -0.786 175.441 176.117 0.184 0.000 0.987 209 I CA -0.840 60.545 61.300 0.142 0.000 1.180 209 I CB 1.957 40.021 38.000 0.107 0.000 1.340 209 I HN 0.228 nan 8.210 nan 0.000 0.455 210 V N 6.752 126.738 119.914 0.120 0.000 2.638 210 V HA 0.474 4.595 4.120 0.001 0.000 0.306 210 V C -0.185 175.940 176.094 0.051 0.000 1.052 210 V CA -0.572 61.790 62.300 0.103 0.000 0.885 210 V CB 2.089 33.929 31.823 0.030 0.000 0.999 210 V HN 0.483 nan 8.190 nan 0.000 0.424 211 L N 3.195 124.450 121.223 0.053 0.000 2.334 211 L HA 0.955 5.296 4.340 0.001 0.000 0.270 211 L C 0.773 177.658 176.870 0.025 0.000 1.018 211 L CA -0.271 54.588 54.840 0.031 0.000 0.811 211 L CB 1.822 43.900 42.059 0.031 0.000 1.271 211 L HN 0.780 nan 8.230 nan 0.000 0.443 212 G N -0.543 108.267 108.800 0.017 0.000 3.211 212 G HA2 0.363 4.324 3.960 0.001 0.000 0.262 212 G HA3 0.363 4.324 3.960 0.001 0.000 0.262 212 G C 0.357 175.270 174.900 0.023 0.000 1.352 212 G CA -0.138 44.976 45.100 0.023 0.000 1.004 212 G HN 0.537 nan 8.290 nan 0.000 0.559 213 S N 0.013 115.729 115.700 0.025 0.000 2.359 213 S HA -0.136 4.334 4.470 0.001 0.000 0.223 213 S C 1.996 176.600 174.600 0.007 0.000 1.039 213 S CA 1.577 59.787 58.200 0.016 0.000 1.042 213 S CB -0.215 62.996 63.200 0.018 0.000 0.915 213 S HN 0.575 nan 8.310 nan 0.000 0.439 214 E N 1.165 121.367 120.200 0.002 0.000 2.331 214 E HA -0.062 4.289 4.350 0.001 0.000 0.199 214 E C 2.060 178.659 176.600 -0.003 0.000 1.008 214 E CA 0.838 57.236 56.400 -0.003 0.000 0.843 214 E CB -0.333 29.363 29.700 -0.008 0.000 0.761 214 E HN 0.554 nan 8.360 nan 0.000 0.507 215 A N 0.247 123.068 122.820 0.000 0.000 2.016 215 A HA -0.009 4.312 4.320 0.001 0.000 0.217 215 A C 2.361 179.946 177.584 0.001 0.000 1.162 215 A CA 0.896 52.933 52.037 -0.000 0.000 0.662 215 A CB 0.047 19.050 19.000 0.005 0.000 0.812 215 A HN 0.097 nan 8.150 nan 0.000 0.450 216 S N -0.506 115.195 115.700 0.003 0.000 2.470 216 S HA -0.006 4.464 4.470 0.001 0.000 0.225 216 S C 1.996 176.592 174.600 -0.007 0.000 1.006 216 S CA 0.222 58.422 58.200 -0.001 0.000 0.934 216 S CB -0.123 63.079 63.200 0.003 0.000 0.778 216 S HN 0.482 nan 8.310 nan 0.000 0.517 217 R N 1.466 121.963 120.500 -0.005 0.000 2.115 217 R HA 0.005 4.346 4.340 0.001 0.000 0.226 217 R C 2.242 178.537 176.300 -0.008 0.000 1.100 217 R CA 1.648 57.745 56.100 -0.006 0.000 0.980 217 R CB -1.451 28.848 30.300 -0.001 0.000 0.875 217 R HN 0.593 nan 8.270 nan 0.000 0.445 218 T N -2.273 112.276 114.554 -0.008 0.000 3.037 218 T HA 0.341 4.692 4.350 0.001 0.000 0.251 218 T C 0.967 175.662 174.700 -0.009 0.000 1.079 218 T CA 0.388 62.482 62.100 -0.009 0.000 1.067 218 T CB 0.184 69.049 68.868 -0.007 0.000 0.948 218 T HN 0.235 nan 8.240 nan 0.000 0.496 219 A N 2.218 125.033 122.820 -0.009 0.000 2.364 219 A HA -0.164 4.157 4.320 0.001 0.000 0.288 219 A C 0.330 177.910 177.584 -0.006 0.000 1.433 219 A CA 0.224 52.256 52.037 -0.009 0.000 0.757 219 A CB -1.463 17.529 19.000 -0.014 0.000 1.098 219 A HN 0.422 nan 8.150 nan 0.000 0.380 220 R N 0.286 120.785 120.500 -0.002 0.000 2.391 220 R HA 0.280 4.620 4.340 0.001 0.000 0.310 220 R C 0.977 177.278 176.300 0.003 0.000 1.174 220 R CA -0.066 56.035 56.100 0.002 0.000 1.118 220 R CB 0.567 30.868 30.300 0.003 0.000 1.134 220 R HN 0.721 nan 8.270 nan 0.000 0.524 221 K N 0.109 120.509 120.400 0.001 0.000 2.021 221 K HA -0.080 4.241 4.320 0.001 0.000 0.205 221 K C 1.810 178.411 176.600 0.003 0.000 1.047 221 K CA 1.854 58.140 56.287 -0.001 0.000 0.943 221 K CB 0.094 32.590 32.500 -0.007 0.000 0.725 221 K HN 0.473 nan 8.250 nan 0.000 0.439 222 T N -0.333 114.223 114.554 0.005 0.000 2.833 222 T HA -0.070 4.281 4.350 0.001 0.000 0.269 222 T C 2.118 176.828 174.700 0.017 0.000 1.054 222 T CA 1.051 63.155 62.100 0.007 0.000 1.135 222 T CB -0.352 68.520 68.868 0.007 0.000 0.869 222 T HN 0.161 nan 8.240 nan 0.000 0.466 223 A N 1.721 124.552 122.820 0.018 0.000 1.873 223 A HA 0.160 4.481 4.320 0.001 0.000 0.215 223 A C 2.327 179.941 177.584 0.050 0.000 1.186 223 A CA 1.523 53.574 52.037 0.024 0.000 0.616 223 A CB -0.938 18.066 19.000 0.006 0.000 0.823 223 A HN 0.467 nan 8.150 nan 0.000 0.442 224 L N -0.047 121.202 121.223 0.044 0.000 2.017 224 L HA -0.112 4.229 4.340 0.001 0.000 0.208 224 L C 2.556 179.473 176.870 0.078 0.000 1.073 224 L CA 2.695 57.585 54.840 0.084 0.000 0.745 224 L CB -0.830 41.258 42.059 0.047 0.000 0.894 224 L HN 0.354 nan 8.230 nan 0.000 0.432 225 S N -0.648 115.069 115.700 0.028 0.000 2.374 225 S HA -0.239 4.232 4.470 0.001 0.000 0.227 225 S C 2.144 176.741 174.600 -0.004 0.000 1.037 225 S CA 1.507 59.705 58.200 -0.002 0.000 1.024 225 S CB -0.571 62.623 63.200 -0.010 0.000 0.861 225 S HN 0.692 nan 8.310 nan 0.000 0.456 226 A N 0.249 123.083 122.820 0.023 0.000 1.898 226 A HA 0.038 4.358 4.320 0.001 0.000 0.216 226 A C 2.046 179.645 177.584 0.026 0.000 1.181 226 A CA 1.448 53.498 52.037 0.023 0.000 0.620 226 A CB -1.047 17.976 19.000 0.039 0.000 0.819 226 A HN 0.728 nan 8.150 nan 0.000 0.442 227 F N 0.549 120.437 119.950 -0.102 0.000 2.146 227 F HA -0.137 4.390 4.527 0.001 0.000 0.298 227 F C 2.013 177.691 175.800 -0.203 0.000 1.096 227 F CA 1.810 59.715 58.000 -0.159 0.000 1.275 227 F CB 0.104 39.025 39.000 -0.132 0.000 1.008 227 F HN 0.037 nan 8.300 nan 0.000 0.480 228 V N 0.379 120.130 119.914 -0.273 0.000 2.719 228 V HA -0.169 3.952 4.120 0.001 0.000 0.252 228 V C 2.587 178.510 176.094 -0.285 0.000 1.065 228 V CA 1.282 63.367 62.300 -0.358 0.000 1.086 228 V CB -1.222 30.489 31.823 -0.187 0.000 0.700 228 V HN 0.474 nan 8.190 nan 0.000 0.467 229 A N 0.497 123.203 122.820 -0.191 0.000 1.855 229 A HA -0.048 4.273 4.320 0.001 0.000 0.215 229 A C 2.426 179.914 177.584 -0.160 0.000 1.191 229 A CA 1.945 53.899 52.037 -0.138 0.000 0.613 229 A CB -0.772 18.181 19.000 -0.078 0.000 0.829 229 A HN 0.529 nan 8.150 nan 0.000 0.442 230 A N -0.558 122.138 122.820 -0.205 0.000 1.930 230 A HA -0.044 4.277 4.320 0.001 0.000 0.217 230 A C 2.394 179.725 177.584 -0.421 0.000 1.175 230 A CA 2.449 54.357 52.037 -0.214 0.000 0.627 230 A CB -1.060 17.835 19.000 -0.174 0.000 0.815 230 A HN 0.719 nan 8.150 nan 0.000 0.443 231 T N -4.527 109.616 114.554 -0.686 0.000 3.010 231 T HA 0.365 4.716 4.350 0.001 0.000 0.252 231 T C 1.503 175.996 174.700 -0.345 0.000 1.047 231 T CA 1.160 62.808 62.100 -0.754 0.000 1.140 231 T CB -0.451 67.726 68.868 -1.153 0.000 0.885 231 T HN 1.706 nan 8.240 nan 0.000 0.464 232 G N 1.265 109.880 108.800 -0.309 0.000 2.221 232 G HA2 -0.179 3.781 3.960 0.001 0.000 0.265 232 G HA3 -0.179 3.781 3.960 0.001 0.000 0.265 232 G C -0.041 174.778 174.900 -0.135 0.000 1.041 232 G CA 0.087 45.083 45.100 -0.174 0.000 0.807 232 G HN 0.768 nan 8.290 nan 0.000 0.502 233 V N 0.744 120.539 119.914 -0.200 0.000 2.509 233 V HA 0.429 4.550 4.120 0.001 0.000 0.284 233 V C -1.449 174.569 176.094 -0.127 0.000 1.047 233 V CA -1.773 60.469 62.300 -0.097 0.000 0.952 233 V CB 1.622 33.374 31.823 -0.118 0.000 0.988 233 V HN 0.144 nan 8.190 nan 0.000 0.469 234 P HA 0.149 nan 4.420 nan 0.000 0.268 234 P C -0.853 176.283 177.300 -0.273 0.000 1.204 234 P CA 0.131 63.063 63.100 -0.279 0.000 0.768 234 P CB 0.476 31.947 31.700 -0.381 0.000 0.842 235 V N 4.594 124.274 119.914 -0.391 0.000 2.448 235 V HA 0.459 4.580 4.120 0.001 0.000 0.295 235 V C -0.042 175.787 176.094 -0.442 0.000 1.025 235 V CA -0.311 61.830 62.300 -0.266 0.000 0.859 235 V CB 0.740 32.481 31.823 -0.136 0.000 0.988 235 V HN 0.382 nan 8.190 nan 0.000 0.431 236 F N 1.818 121.734 119.950 -0.056 0.000 2.629 236 F HA 0.976 5.504 4.527 0.002 0.000 0.386 236 F C 0.529 176.302 175.800 -0.044 0.000 1.135 236 F CA -0.481 57.484 58.000 -0.057 0.000 1.116 236 F CB 1.610 40.571 39.000 -0.064 0.000 1.426 236 F HN 0.681 nan 8.300 nan 0.000 0.501 237 A N -0.148 122.787 122.820 0.191 0.000 2.567 237 A HA 0.506 4.827 4.320 0.001 0.000 0.291 237 A C -1.907 175.715 177.584 0.063 0.000 1.048 237 A CA -0.948 51.144 52.037 0.092 0.000 0.661 237 A CB 0.619 19.653 19.000 0.056 0.000 1.288 237 A HN 0.682 nan 8.150 nan 0.000 0.424 238 D N -0.336 120.101 120.400 0.061 0.000 2.433 238 D HA 0.405 5.046 4.640 0.001 0.000 0.255 238 D C 0.830 177.204 176.300 0.123 0.000 1.226 238 D CA -0.178 53.875 54.000 0.089 0.000 1.015 238 D CB -0.042 40.829 40.800 0.117 0.000 1.091 238 D HN 0.458 nan 8.370 nan 0.000 0.527 239 Y N -0.936 119.399 120.300 0.058 0.000 2.062 239 Y HA -0.216 4.335 4.550 0.001 0.000 0.276 239 Y C 2.421 178.362 175.900 0.068 0.000 1.189 239 Y CA 2.128 60.297 58.100 0.114 0.000 1.130 239 Y CB -0.589 37.809 38.460 -0.103 0.000 0.959 239 Y HN 0.493 nan 8.280 nan 0.000 0.499 240 E N -0.470 119.812 120.200 0.137 0.000 2.208 240 E HA -0.041 4.310 4.350 0.001 0.000 0.193 240 E C 2.405 179.046 176.600 0.068 0.000 0.988 240 E CA 1.071 57.501 56.400 0.050 0.000 0.828 240 E CB -0.557 29.145 29.700 0.002 0.000 0.763 240 E HN 0.403 nan 8.360 nan 0.000 0.478 241 G N 0.136 108.983 108.800 0.079 0.000 2.494 241 G HA2 -0.157 3.803 3.960 0.001 0.000 0.216 241 G HA3 -0.157 3.803 3.960 0.001 0.000 0.216 241 G C 1.436 176.372 174.900 0.059 0.000 1.140 241 G CA 0.476 45.610 45.100 0.057 0.000 0.801 241 G HN 0.311 nan 8.290 nan 0.000 0.536 242 L N 2.365 123.642 121.223 0.090 0.000 2.021 242 L HA -0.207 4.134 4.340 0.001 0.000 0.215 242 L C 3.047 179.932 176.870 0.025 0.000 1.074 242 L CA 2.718 57.587 54.840 0.048 0.000 0.760 242 L CB -0.613 41.473 42.059 0.045 0.000 0.889 242 L HN 0.326 nan 8.230 nan 0.000 0.433 243 S N -2.020 113.722 115.700 0.069 0.000 2.465 243 S HA -0.192 4.279 4.470 0.001 0.000 0.241 243 S C 1.825 176.430 174.600 0.008 0.000 1.000 243 S CA 1.254 59.479 58.200 0.041 0.000 0.964 243 S CB -0.550 62.690 63.200 0.065 0.000 0.763 243 S HN 0.443 nan 8.310 nan 0.000 0.512 244 M N 0.880 120.484 119.600 0.007 0.000 2.447 244 M HA 0.273 4.754 4.480 0.001 0.000 0.264 244 M C 1.749 178.036 176.300 -0.021 0.000 1.095 244 M CA 0.707 56.005 55.300 -0.004 0.000 1.125 244 M CB -1.022 31.580 32.600 0.003 0.000 1.389 244 M HN 0.397 nan 8.290 nan 0.000 0.459 245 L N -0.934 120.270 121.223 -0.033 0.000 2.291 245 L HA -0.073 4.268 4.340 0.001 0.000 0.214 245 L C 2.143 178.973 176.870 -0.067 0.000 1.120 245 L CA 0.378 55.181 54.840 -0.061 0.000 0.799 245 L CB -0.709 41.301 42.059 -0.082 0.000 0.925 245 L HN 0.169 nan 8.230 nan 0.000 0.446 246 S N 0.366 116.033 115.700 -0.054 0.000 2.493 246 S HA -0.107 4.364 4.470 0.001 0.000 0.243 246 S C 1.744 176.312 174.600 -0.053 0.000 0.991 246 S CA 1.185 59.352 58.200 -0.056 0.000 0.957 246 S CB -0.240 62.934 63.200 -0.042 0.000 0.756 246 S HN 0.649 nan 8.310 nan 0.000 0.521 247 G N -0.075 108.696 108.800 -0.048 0.000 3.192 247 G HA2 0.396 4.357 3.960 0.001 0.000 0.239 247 G HA3 0.396 4.357 3.960 0.001 0.000 0.239 247 G C 0.211 175.080 174.900 -0.050 0.000 1.084 247 G CA -0.364 44.710 45.100 -0.044 0.000 0.784 247 G HN 0.295 nan 8.290 nan 0.000 0.540 248 L N 0.904 122.089 121.223 -0.064 0.000 2.456 248 L HA 0.363 4.704 4.340 0.001 0.000 0.257 248 L C -2.062 174.757 176.870 -0.084 0.000 1.162 248 L CA -2.024 52.771 54.840 -0.075 0.000 0.808 248 L CB 0.752 42.756 42.059 -0.093 0.000 1.136 248 L HN -0.150 nan 8.230 nan 0.000 0.466 249 P HA 0.019 nan 4.420 nan 0.000 0.267 249 P C -0.474 176.761 177.300 -0.108 0.000 1.205 249 P CA -0.053 62.993 63.100 -0.089 0.000 0.765 249 P CB 0.444 32.092 31.700 -0.088 0.000 0.828 250 D N 2.357 122.694 120.400 -0.104 0.000 2.310 250 D HA -0.103 4.538 4.640 0.001 0.000 0.212 250 D C 1.786 178.006 176.300 -0.133 0.000 0.965 250 D CA 1.034 54.963 54.000 -0.119 0.000 0.879 250 D CB -0.344 40.391 40.800 -0.109 0.000 0.921 250 D HN 0.366 nan 8.370 nan 0.000 0.510 251 A N 0.255 123.002 122.820 -0.123 0.000 2.121 251 A HA -0.091 4.230 4.320 0.001 0.000 0.218 251 A C 1.884 179.368 177.584 -0.166 0.000 1.154 251 A CA 0.905 52.864 52.037 -0.129 0.000 0.679 251 A CB -0.184 18.755 19.000 -0.102 0.000 0.795 251 A HN 0.105 nan 8.150 nan 0.000 0.458 252 M N -0.964 118.529 119.600 -0.178 0.000 2.615 252 M HA 0.192 4.672 4.480 0.001 0.000 0.262 252 M C 0.394 176.521 176.300 -0.288 0.000 1.198 252 M CA 0.288 55.453 55.300 -0.224 0.000 1.165 252 M CB -0.798 31.688 32.600 -0.191 0.000 1.310 252 M HN 0.172 nan 8.290 nan 0.000 0.494 253 R N 2.116 122.472 120.500 -0.241 0.000 2.723 253 R HA 0.098 4.439 4.340 0.001 0.000 0.358 253 R C 1.313 177.411 176.300 -0.336 0.000 0.966 253 R CA 0.252 56.197 56.100 -0.257 0.000 1.022 253 R CB -0.611 29.579 30.300 -0.184 0.000 0.945 253 R HN 0.381 nan 8.270 nan 0.000 0.420 254 G N 1.816 110.276 108.800 -0.567 0.000 2.712 254 G HA2 0.194 4.154 3.960 0.001 0.000 0.212 254 G HA3 0.194 4.154 3.960 0.001 0.000 0.212 254 G C 0.854 175.561 174.900 -0.322 0.000 1.142 254 G CA 0.477 45.087 45.100 -0.815 0.000 0.789 254 G HN 0.897 nan 8.290 nan 0.000 0.535 255 G N -0.297 108.386 108.800 -0.194 0.000 2.499 255 G HA2 -0.207 3.754 3.960 0.001 0.000 0.232 255 G HA3 -0.207 3.754 3.960 0.001 0.000 0.232 255 G C -0.208 174.776 174.900 0.141 0.000 1.251 255 G CA -0.337 44.758 45.100 -0.008 0.000 0.917 255 G HN 0.570 nan 8.290 nan 0.000 0.580 256 L N 0.735 122.031 121.223 0.121 0.000 2.319 256 L HA 0.349 4.690 4.340 0.001 0.000 0.280 256 L C 2.144 179.115 176.870 0.168 0.000 1.099 256 L CA 0.181 55.076 54.840 0.092 0.000 0.828 256 L CB 1.440 43.461 42.059 -0.063 0.000 1.150 256 L HN 0.765 nan 8.230 nan 0.000 0.442 257 V N 4.089 124.057 119.914 0.090 0.000 2.511 257 V HA -0.335 3.786 4.120 0.001 0.000 0.257 257 V C 2.334 178.332 176.094 -0.161 0.000 1.088 257 V CA 2.533 64.702 62.300 -0.218 0.000 1.098 257 V CB -0.462 31.261 31.823 -0.166 0.000 0.674 257 V HN 1.111 nan 8.190 nan 0.000 0.470 258 Q N -0.244 119.537 119.800 -0.031 0.000 2.152 258 Q HA -0.289 4.052 4.340 0.001 0.000 0.206 258 Q C 1.719 177.758 176.000 0.065 0.000 0.985 258 Q CA 2.271 58.086 55.803 0.021 0.000 0.863 258 Q CB -0.774 27.983 28.738 0.032 0.000 0.904 258 Q HN 0.663 nan 8.270 nan 0.000 0.422 259 N N 0.785 119.538 118.700 0.088 0.000 2.430 259 N HA -0.123 4.617 4.740 0.001 0.000 0.186 259 N C 1.396 177.059 175.510 0.255 0.000 1.032 259 N CA 0.756 53.911 53.050 0.175 0.000 0.893 259 N CB -0.182 38.454 38.487 0.247 0.000 0.957 259 N HN 0.285 nan 8.380 nan 0.000 0.442 260 L N 0.347 121.635 121.223 0.109 0.000 2.610 260 L HA -0.005 4.335 4.340 0.001 0.000 0.232 260 L C 1.789 178.837 176.870 0.296 0.000 1.149 260 L CA 0.533 55.447 54.840 0.124 0.000 0.872 260 L CB -0.655 41.118 42.059 -0.477 0.000 0.992 260 L HN 0.097 nan 8.230 nan 0.000 0.447 261 Y N -0.508 119.876 120.300 0.140 0.000 2.128 261 Y HA -0.286 4.264 4.550 0.001 0.000 0.284 261 Y C 2.443 178.427 175.900 0.141 0.000 1.154 261 Y CA 2.040 60.204 58.100 0.106 0.000 1.149 261 Y CB -0.395 38.099 38.460 0.057 0.000 0.976 261 Y HN 0.231 nan 8.280 nan 0.000 0.505 262 S N 0.410 116.155 115.700 0.075 0.000 2.419 262 S HA -0.169 4.301 4.470 0.001 0.000 0.233 262 S C 1.636 176.138 174.600 -0.162 0.000 1.016 262 S CA 1.273 59.410 58.200 -0.104 0.000 0.974 262 S CB -0.842 62.333 63.200 -0.042 0.000 0.786 262 S HN 0.523 nan 8.310 nan 0.000 0.492 263 F N 2.176 122.078 119.950 -0.079 0.000 2.225 263 F HA -0.244 4.284 4.527 0.001 0.000 0.302 263 F C 2.486 178.246 175.800 -0.068 0.000 1.068 263 F CA 0.800 58.791 58.000 -0.015 0.000 1.327 263 F CB -0.653 38.373 39.000 0.045 0.000 1.043 263 F HN 0.214 nan 8.300 nan 0.000 0.506 264 A N -0.356 122.451 122.820 -0.021 0.000 1.877 264 A HA -0.138 4.183 4.320 0.001 0.000 0.216 264 A C 1.780 179.307 177.584 -0.096 0.000 1.186 264 A CA 1.371 53.344 52.037 -0.105 0.000 0.620 264 A CB -0.240 18.602 19.000 -0.263 0.000 0.822 264 A HN 0.109 nan 8.150 nan 0.000 0.443 265 K N -0.722 119.592 120.400 -0.144 0.000 2.699 265 K HA 0.527 4.848 4.320 0.001 0.000 0.210 265 K C 0.349 176.916 176.600 -0.055 0.000 1.076 265 K CA 0.668 56.908 56.287 -0.078 0.000 1.109 265 K CB 0.418 32.879 32.500 -0.064 0.000 0.862 265 K HN 0.383 nan 8.250 nan 0.000 0.470 266 A N 0.342 123.131 122.820 -0.051 0.000 2.551 266 A HA 0.162 4.483 4.320 0.001 0.000 0.252 266 A C 0.511 178.099 177.584 0.007 0.000 1.199 266 A CA 0.427 52.436 52.037 -0.046 0.000 0.972 266 A CB 0.227 19.149 19.000 -0.129 0.000 1.153 266 A HN 0.246 nan 8.150 nan 0.000 0.559 267 D N -1.539 118.875 120.400 0.023 0.000 2.304 267 D HA -0.224 4.417 4.640 0.001 0.000 0.162 267 D C 0.622 176.971 176.300 0.082 0.000 1.458 267 D CA 1.782 55.807 54.000 0.042 0.000 1.334 267 D CB -1.379 39.439 40.800 0.030 0.000 1.250 267 D HN 0.868 nan 8.370 nan 0.000 0.458 268 A N 0.050 122.958 122.820 0.147 0.000 3.004 268 A HA 0.663 4.984 4.320 0.001 0.000 0.286 268 A C 0.528 178.377 177.584 0.440 0.000 1.632 268 A CA 0.603 52.802 52.037 0.270 0.000 1.339 268 A CB -0.210 19.064 19.000 0.457 0.000 1.136 268 A HN 0.571 nan 8.150 nan 0.000 0.577 269 A N 3.120 126.081 122.820 0.236 0.000 2.310 269 A HA 0.713 5.034 4.320 0.001 0.000 0.299 269 A C -2.605 175.022 177.584 0.071 0.000 1.147 269 A CA -1.736 50.431 52.037 0.217 0.000 0.818 269 A CB 0.054 19.111 19.000 0.097 0.000 1.096 269 A HN 0.480 nan 8.150 nan 0.000 0.495 270 P HA 0.057 nan 4.420 nan 0.000 0.267 270 P C -0.154 177.092 177.300 -0.090 0.000 1.205 270 P CA 0.160 63.230 63.100 -0.050 0.000 0.765 270 P CB 0.645 32.348 31.700 0.005 0.000 0.828 271 D N 2.865 123.165 120.400 -0.166 0.000 2.349 271 D HA 0.034 4.675 4.640 0.001 0.000 0.215 271 D C -0.076 176.191 176.300 -0.055 0.000 1.016 271 D CA 0.532 54.467 54.000 -0.108 0.000 0.870 271 D CB -0.015 40.700 40.800 -0.143 0.000 0.917 271 D HN 0.167 nan 8.370 nan 0.000 0.524 272 L N 0.226 121.425 121.223 -0.039 0.000 2.549 272 L HA 0.381 4.722 4.340 0.001 0.000 0.259 272 L C -1.691 175.199 176.870 0.034 0.000 0.934 272 L CA -0.709 54.136 54.840 0.008 0.000 0.865 272 L CB 2.530 44.599 42.059 0.015 0.000 1.352 272 L HN -0.214 nan 8.230 nan 0.000 0.410 273 V N 4.667 124.607 119.914 0.043 0.000 2.483 273 V HA 0.456 4.577 4.120 0.001 0.000 0.297 273 V C -0.722 175.403 176.094 0.051 0.000 1.027 273 V CA -0.555 61.771 62.300 0.043 0.000 0.855 273 V CB 1.792 33.623 31.823 0.013 0.000 0.995 273 V HN 0.565 nan 8.190 nan 0.000 0.424 274 L N 6.566 127.827 121.223 0.064 0.000 2.288 274 L HA 0.535 4.875 4.340 0.001 0.000 0.283 274 L C 0.031 176.921 176.870 0.033 0.000 1.072 274 L CA 0.179 55.056 54.840 0.063 0.000 0.862 274 L CB 0.653 42.774 42.059 0.103 0.000 1.245 274 L HN 0.626 nan 8.230 nan 0.000 0.432 275 M N 6.157 125.755 119.600 -0.003 0.000 2.220 275 M HA 0.231 4.711 4.480 0.001 0.000 0.343 275 M C -0.591 175.695 176.300 -0.024 0.000 1.470 275 M CA 0.370 55.642 55.300 -0.046 0.000 1.161 275 M CB 0.331 32.856 32.600 -0.126 0.000 1.737 275 M HN 0.437 nan 8.290 nan 0.000 0.464 276 L N 3.750 124.964 121.223 -0.015 0.000 2.426 276 L HA 0.395 4.735 4.340 0.001 0.000 0.255 276 L C 1.021 177.882 176.870 -0.015 0.000 1.080 276 L CA -0.263 54.569 54.840 -0.013 0.000 0.960 276 L CB 0.443 42.499 42.059 -0.005 0.000 1.326 276 L HN 1.109 nan 8.230 nan 0.000 0.441 277 G N 1.591 110.379 108.800 -0.020 0.000 2.253 277 G HA2 -0.309 3.652 3.960 0.001 0.000 0.251 277 G HA3 -0.309 3.652 3.960 0.001 0.000 0.251 277 G C 0.563 175.454 174.900 -0.015 0.000 0.998 277 G CA 0.036 45.127 45.100 -0.014 0.000 0.621 277 G HN 0.737 nan 8.290 nan 0.000 0.524 278 A N 0.670 123.471 122.820 -0.033 0.000 2.520 278 A HA 0.606 4.926 4.320 0.001 0.000 0.245 278 A C 0.747 178.279 177.584 -0.086 0.000 1.072 278 A CA 0.608 52.615 52.037 -0.049 0.000 0.761 278 A CB 0.138 19.085 19.000 -0.088 0.000 1.004 278 A HN 0.549 nan 8.150 nan 0.000 0.499 279 R N 1.294 121.784 120.500 -0.017 0.000 2.474 279 R HA 0.330 4.670 4.340 0.001 0.000 0.295 279 R C -1.098 175.205 176.300 0.004 0.000 0.980 279 R CA -0.413 55.686 56.100 -0.002 0.000 0.934 279 R CB 1.074 31.397 30.300 0.038 0.000 1.101 279 R HN 0.713 nan 8.270 nan 0.000 0.469 280 F N 2.244 122.226 119.950 0.053 0.000 2.650 280 F HA 0.139 4.667 4.527 0.001 0.000 0.338 280 F C 1.163 177.025 175.800 0.102 0.000 1.311 280 F CA 0.587 58.628 58.000 0.069 0.000 1.106 280 F CB 0.326 39.356 39.000 0.050 0.000 1.500 280 F HN 0.656 nan 8.300 nan 0.000 0.670 281 G N 1.024 110.015 108.800 0.319 0.000 2.694 281 G HA2 0.142 4.103 3.960 0.001 0.000 0.246 281 G HA3 0.142 4.103 3.960 0.001 0.000 0.246 281 G C -0.013 175.028 174.900 0.236 0.000 1.205 281 G CA -0.689 44.637 45.100 0.377 0.000 0.891 281 G HN 0.251 nan 8.290 nan 0.000 0.515 282 L N 0.829 122.207 121.223 0.258 0.000 2.137 282 L HA -0.092 4.249 4.340 0.001 0.000 0.213 282 L C 2.142 178.948 176.870 -0.107 0.000 1.085 282 L CA 2.713 57.476 54.840 -0.127 0.000 0.760 282 L CB -0.843 41.264 42.059 0.080 0.000 0.893 282 L HN 0.596 nan 8.230 nan 0.000 0.434 283 N N -1.643 117.068 118.700 0.019 0.000 2.216 283 N HA -0.076 4.664 4.740 0.001 0.000 0.183 283 N C 0.145 175.671 175.510 0.026 0.000 1.017 283 N CA 1.297 54.360 53.050 0.021 0.000 0.861 283 N CB -0.055 38.452 38.487 0.033 0.000 0.986 283 N HN 0.503 nan 8.380 nan 0.000 0.428 284 T N -2.386 112.181 114.554 0.022 0.000 3.377 284 T HA 0.473 4.823 4.350 0.001 0.000 0.270 284 T C 0.829 175.565 174.700 0.059 0.000 1.586 284 T CA -0.400 61.702 62.100 0.004 0.000 1.487 284 T CB 0.474 69.290 68.868 -0.086 0.000 0.994 284 T HN 0.241 nan 8.240 nan 0.000 0.689 285 G N 1.892 110.707 108.800 0.025 0.000 2.233 285 G HA2 -0.340 3.621 3.960 0.001 0.000 0.270 285 G HA3 -0.340 3.621 3.960 0.001 0.000 0.270 285 G C 0.396 175.384 174.900 0.146 0.000 1.011 285 G CA 0.956 46.093 45.100 0.063 0.000 0.762 285 G HN 1.075 nan 8.290 nan 0.000 0.511 286 H N -2.521 116.646 119.070 0.162 0.000 1.452 286 H HA -0.239 4.318 4.556 0.001 0.000 0.090 286 H C 2.061 177.508 175.328 0.198 0.000 2.395 286 H CA 1.559 57.709 56.048 0.171 0.000 1.901 286 H CB -1.078 28.756 29.762 0.120 0.000 2.257 286 H HN 0.805 nan 8.280 nan 0.000 0.961 287 G N -0.262 108.706 108.800 0.280 0.000 2.494 287 G HA2 0.046 4.007 3.960 0.001 0.000 0.216 287 G HA3 0.046 4.007 3.960 0.001 0.000 0.216 287 G C 0.188 175.151 174.900 0.106 0.000 1.140 287 G CA 0.585 45.750 45.100 0.108 0.000 0.801 287 G HN 0.736 nan 8.290 nan 0.000 0.536 288 S N 0.017 115.803 115.700 0.143 0.000 2.572 288 S HA 0.406 4.877 4.470 0.001 0.000 0.279 288 S C 1.203 175.811 174.600 0.014 0.000 1.341 288 S CA 0.047 58.316 58.200 0.114 0.000 1.043 288 S CB 1.678 64.960 63.200 0.135 0.000 0.887 288 S HN 0.285 nan 8.310 nan 0.000 0.516 289 G N 1.111 109.812 108.800 -0.166 0.000 3.340 289 G HA2 0.071 4.032 3.960 0.001 0.000 0.240 289 G HA3 0.071 4.032 3.960 0.001 0.000 0.240 289 G C 0.993 175.842 174.900 -0.085 0.000 1.327 289 G CA -0.409 44.499 45.100 -0.319 0.000 1.170 289 G HN 0.677 nan 8.290 nan 0.000 0.520 290 Q N -0.253 119.567 119.800 0.034 0.000 2.083 290 Q HA 0.075 4.416 4.340 0.001 0.000 0.198 290 Q C 2.321 178.395 176.000 0.123 0.000 0.969 290 Q CA 0.828 56.709 55.803 0.130 0.000 0.838 290 Q CB -0.008 28.850 28.738 0.200 0.000 0.900 290 Q HN 0.568 nan 8.270 nan 0.000 0.436 291 L N -0.511 120.757 121.223 0.075 0.000 2.467 291 L HA 0.167 4.507 4.340 0.001 0.000 0.213 291 L C 0.471 177.318 176.870 -0.038 0.000 1.053 291 L CA 0.057 54.912 54.840 0.025 0.000 0.847 291 L CB 0.542 42.610 42.059 0.014 0.000 1.075 291 L HN 0.045 nan 8.230 nan 0.000 0.479 292 I N 1.783 122.352 120.570 -0.002 0.000 2.337 292 I HA 0.315 4.486 4.170 0.001 0.000 0.285 292 I C -2.346 173.746 176.117 -0.042 0.000 1.041 292 I CA -2.418 58.886 61.300 0.005 0.000 1.199 292 I CB 0.357 38.437 38.000 0.132 0.000 1.370 292 I HN -0.229 nan 8.210 nan 0.000 0.470 293 P HA 0.110 nan 4.420 nan 0.000 0.269 293 P C 0.902 178.158 177.300 -0.073 0.000 1.209 293 P CA 0.034 63.076 63.100 -0.097 0.000 0.776 293 P CB 0.628 32.309 31.700 -0.032 0.000 0.876 294 H N 0.861 119.954 119.070 0.038 0.000 2.389 294 H HA -0.094 4.463 4.556 0.001 0.000 0.299 294 H C 1.875 177.215 175.328 0.020 0.000 1.081 294 H CA 2.169 58.233 56.048 0.027 0.000 1.345 294 H CB -0.781 28.990 29.762 0.015 0.000 1.393 294 H HN 0.466 nan 8.280 nan 0.000 0.520 295 S N 0.593 116.371 115.700 0.130 0.000 2.500 295 S HA 0.051 4.522 4.470 0.001 0.000 0.239 295 S C 1.296 175.923 174.600 0.045 0.000 0.989 295 S CA 0.326 58.568 58.200 0.070 0.000 0.951 295 S CB -0.253 62.974 63.200 0.045 0.000 0.759 295 S HN 0.423 nan 8.310 nan 0.000 0.523 296 A N 1.542 124.390 122.820 0.047 0.000 2.328 296 A HA 0.457 4.778 4.320 0.001 0.000 0.284 296 A C 0.167 177.782 177.584 0.052 0.000 1.160 296 A CA -0.661 51.395 52.037 0.032 0.000 0.818 296 A CB 0.355 19.368 19.000 0.022 0.000 1.087 296 A HN 0.490 nan 8.150 nan 0.000 0.504 297 Q N 1.165 120.988 119.800 0.039 0.000 2.267 297 Q HA 0.438 4.779 4.340 0.001 0.000 0.255 297 Q C -0.913 175.122 176.000 0.060 0.000 0.923 297 Q CA -0.246 55.586 55.803 0.049 0.000 0.925 297 Q CB 1.628 30.387 28.738 0.036 0.000 1.195 297 Q HN 0.513 nan 8.270 nan 0.000 0.417 298 V N 4.570 124.532 119.914 0.080 0.000 2.495 298 V HA 0.457 4.578 4.120 0.001 0.000 0.298 298 V C -0.172 175.972 176.094 0.084 0.000 1.031 298 V CA -0.681 61.675 62.300 0.094 0.000 0.871 298 V CB 1.613 33.529 31.823 0.154 0.000 0.988 298 V HN 0.631 nan 8.190 nan 0.000 0.432 299 I N 4.209 124.821 120.570 0.071 0.000 2.330 299 I HA 0.456 4.627 4.170 0.001 0.000 0.289 299 I C -0.074 176.075 176.117 0.054 0.000 1.001 299 I CA -0.098 61.239 61.300 0.062 0.000 1.193 299 I CB 1.407 39.442 38.000 0.058 0.000 1.345 299 I HN 0.627 nan 8.210 nan 0.000 0.461 300 Q N 5.613 125.446 119.800 0.056 0.000 2.333 300 Q HA 0.616 4.957 4.340 0.001 0.000 0.267 300 Q C -1.606 174.411 176.000 0.028 0.000 1.012 300 Q CA -0.695 55.135 55.803 0.045 0.000 0.824 300 Q CB 2.447 31.235 28.738 0.084 0.000 1.290 300 Q HN 0.489 nan 8.270 nan 0.000 0.449 301 V N 3.474 123.393 119.914 0.009 0.000 2.495 301 V HA 0.523 4.644 4.120 0.001 0.000 0.298 301 V C -0.899 175.194 176.094 -0.002 0.000 1.031 301 V CA -0.529 61.771 62.300 0.000 0.000 0.871 301 V CB 1.823 33.636 31.823 -0.016 0.000 0.988 301 V HN 0.878 nan 8.190 nan 0.000 0.432 302 D N 3.752 124.153 120.400 0.002 0.000 2.769 302 D HA 0.450 5.091 4.640 0.001 0.000 0.219 302 D C -2.339 173.960 176.300 -0.002 0.000 1.245 302 D CA -0.945 53.054 54.000 -0.001 0.000 0.801 302 D CB 3.251 44.054 40.800 0.005 0.000 1.598 302 D HN 0.195 nan 8.370 nan 0.000 0.485 303 P HA 0.021 nan 4.420 nan 0.000 0.223 303 P C -0.443 176.855 177.300 -0.003 0.000 1.151 303 P CA 0.597 63.694 63.100 -0.005 0.000 0.787 303 P CB 0.279 31.974 31.700 -0.009 0.000 0.788 304 D N -0.599 119.797 120.400 -0.007 0.000 2.329 304 D HA 0.288 4.929 4.640 0.001 0.000 0.232 304 D C 0.838 177.142 176.300 0.007 0.000 1.088 304 D CA -0.341 53.657 54.000 -0.004 0.000 0.835 304 D CB 1.656 42.442 40.800 -0.022 0.000 1.078 304 D HN -0.116 nan 8.370 nan 0.000 0.495 305 A N 3.168 125.995 122.820 0.012 0.000 2.067 305 A HA -0.126 4.195 4.320 0.001 0.000 0.219 305 A C 2.225 179.821 177.584 0.021 0.000 1.158 305 A CA 0.704 52.752 52.037 0.018 0.000 0.661 305 A CB -0.360 18.650 19.000 0.016 0.000 0.801 305 A HN 0.771 nan 8.150 nan 0.000 0.452 306 C N -0.128 119.182 119.300 0.018 0.000 2.422 306 C HA -0.053 4.408 4.460 0.001 0.000 0.279 306 C C 2.445 177.450 174.990 0.025 0.000 1.305 306 C CA 0.985 60.014 59.018 0.018 0.000 1.757 306 C CB -0.890 26.858 27.740 0.014 0.000 1.962 306 C HN 0.589 nan 8.230 nan 0.000 0.499 307 E N 0.565 120.781 120.200 0.027 0.000 2.208 307 E HA 0.010 4.361 4.350 0.001 0.000 0.193 307 E C 0.537 177.199 176.600 0.105 0.000 0.988 307 E CA 0.340 56.773 56.400 0.054 0.000 0.828 307 E CB -0.350 29.368 29.700 0.030 0.000 0.763 307 E HN 0.441 nan 8.360 nan 0.000 0.478 308 L N 1.484 122.754 121.223 0.078 0.000 2.774 308 L HA 0.039 4.380 4.340 0.001 0.000 0.279 308 L C 1.125 178.055 176.870 0.100 0.000 1.137 308 L CA 1.024 55.919 54.840 0.092 0.000 1.021 308 L CB -0.960 41.133 42.059 0.057 0.000 1.366 308 L HN 0.256 nan 8.230 nan 0.000 0.471 309 G N 2.895 111.802 108.800 0.178 0.000 2.338 309 G HA2 -0.376 3.584 3.960 0.001 0.000 0.296 309 G HA3 -0.376 3.584 3.960 0.001 0.000 0.296 309 G C 1.397 176.271 174.900 -0.042 0.000 1.040 309 G CA 0.713 45.858 45.100 0.075 0.000 1.004 309 G HN 0.709 nan 8.290 nan 0.000 0.509 310 R N -0.705 119.810 120.500 0.026 0.000 2.117 310 R HA 0.003 4.343 4.340 0.001 0.000 0.243 310 R C 1.781 178.021 176.300 -0.100 0.000 1.143 310 R CA 1.914 58.009 56.100 -0.008 0.000 0.968 310 R CB -0.138 30.199 30.300 0.063 0.000 0.863 310 R HN 0.594 nan 8.270 nan 0.000 0.444 311 L N -1.222 119.842 121.223 -0.265 0.000 3.086 311 L HA 0.317 4.658 4.340 0.001 0.000 0.274 311 L C 0.049 176.699 176.870 -0.367 0.000 1.184 311 L CA -0.325 54.358 54.840 -0.262 0.000 1.002 311 L CB 0.956 42.914 42.059 -0.168 0.000 1.383 311 L HN 0.089 nan 8.230 nan 0.000 0.582 312 Q N 0.009 119.468 119.800 -0.568 0.000 2.456 312 Q HA 0.625 4.966 4.340 0.001 0.000 0.283 312 Q C -0.241 175.630 176.000 -0.215 0.000 1.084 312 Q CA -0.513 55.039 55.803 -0.417 0.000 0.801 312 Q CB 2.434 30.741 28.738 -0.719 0.000 1.434 312 Q HN 0.087 nan 8.270 nan 0.000 0.419 313 G N 2.140 110.892 108.800 -0.080 0.000 2.403 313 G HA2 0.503 4.463 3.960 0.001 0.000 0.259 313 G HA3 0.503 4.463 3.960 0.001 0.000 0.259 313 G C -0.409 174.505 174.900 0.025 0.000 1.244 313 G CA -0.266 44.820 45.100 -0.023 0.000 0.849 313 G HN 0.659 nan 8.290 nan 0.000 0.532 314 I N -0.814 119.782 120.570 0.044 0.000 2.892 314 I HA 0.760 4.931 4.170 0.001 0.000 0.306 314 I C 0.840 176.991 176.117 0.058 0.000 1.078 314 I CA -1.392 59.957 61.300 0.081 0.000 1.032 314 I CB 2.229 40.304 38.000 0.124 0.000 1.229 314 I HN 0.452 nan 8.210 nan 0.000 0.435 315 A N 3.055 125.912 122.820 0.060 0.000 1.984 315 A HA 0.406 4.727 4.320 0.001 0.000 0.214 315 A C 0.450 178.059 177.584 0.042 0.000 1.173 315 A CA 0.923 52.987 52.037 0.046 0.000 0.673 315 A CB 0.003 19.030 19.000 0.045 0.000 0.830 315 A HN 0.627 nan 8.150 nan 0.000 0.453 316 L N -1.408 119.845 121.223 0.049 0.000 2.493 316 L HA 0.663 5.003 4.340 0.001 0.000 0.265 316 L C -0.440 176.459 176.870 0.047 0.000 0.954 316 L CA -0.012 54.854 54.840 0.043 0.000 0.844 316 L CB 1.908 43.992 42.059 0.042 0.000 1.302 316 L HN 0.086 nan 8.230 nan 0.000 0.405 317 G N 6.009 114.832 108.800 0.039 0.000 2.660 317 G HA2 0.599 4.560 3.960 0.001 0.000 0.305 317 G HA3 0.599 4.560 3.960 0.001 0.000 0.305 317 G C -1.159 173.758 174.900 0.029 0.000 1.329 317 G CA -0.268 44.856 45.100 0.040 0.000 1.000 317 G HN 0.325 nan 8.290 nan 0.000 0.514 318 I N 3.555 124.140 120.570 0.025 0.000 2.362 318 I HA 0.227 4.397 4.170 0.001 0.000 0.289 318 I C 0.515 176.638 176.117 0.011 0.000 0.994 318 I CA -1.295 60.014 61.300 0.015 0.000 1.158 318 I CB 1.340 39.345 38.000 0.008 0.000 1.315 318 I HN 0.300 nan 8.210 nan 0.000 0.451 319 V N 3.955 123.875 119.914 0.009 0.000 2.389 319 V HA 0.940 5.061 4.120 0.001 0.000 0.264 319 V C 0.143 176.237 176.094 0.001 0.000 1.049 319 V CA -0.144 62.160 62.300 0.006 0.000 0.932 319 V CB 0.403 32.231 31.823 0.008 0.000 1.011 319 V HN 0.955 nan 8.190 nan 0.000 0.475 320 A N 3.384 126.202 122.820 -0.003 0.000 2.566 320 A HA 0.616 4.937 4.320 0.001 0.000 0.290 320 A C -1.042 176.537 177.584 -0.008 0.000 1.071 320 A CA -0.590 51.444 52.037 -0.006 0.000 0.658 320 A CB 1.141 20.134 19.000 -0.012 0.000 1.285 320 A HN 0.899 nan 8.150 nan 0.000 0.427 321 D N 0.033 120.429 120.400 -0.007 0.000 2.390 321 D HA 0.348 4.989 4.640 0.001 0.000 0.249 321 D C 1.157 177.447 176.300 -0.017 0.000 1.144 321 D CA 0.238 54.233 54.000 -0.008 0.000 0.880 321 D CB 1.179 41.979 40.800 0.000 0.000 1.182 321 D HN 0.216 nan 8.370 nan 0.000 0.451 322 V N 3.948 123.851 119.914 -0.018 0.000 2.407 322 V HA -0.107 4.014 4.120 0.001 0.000 0.248 322 V C 2.219 178.293 176.094 -0.033 0.000 1.055 322 V CA 2.232 64.516 62.300 -0.026 0.000 1.049 322 V CB -0.710 31.102 31.823 -0.019 0.000 0.662 322 V HN 0.817 nan 8.190 nan 0.000 0.455 323 G N -0.139 108.649 108.800 -0.020 0.000 2.394 323 G HA2 -0.095 3.866 3.960 0.001 0.000 0.215 323 G HA3 -0.095 3.866 3.960 0.001 0.000 0.215 323 G C 1.630 176.520 174.900 -0.017 0.000 1.165 323 G CA 0.789 45.879 45.100 -0.016 0.000 0.784 323 G HN 0.569 nan 8.290 nan 0.000 0.535 324 G N 0.206 109.001 108.800 -0.007 0.000 2.422 324 G HA2 -0.119 3.842 3.960 0.001 0.000 0.218 324 G HA3 -0.119 3.842 3.960 0.001 0.000 0.218 324 G C 1.815 176.690 174.900 -0.042 0.000 1.146 324 G CA 1.721 46.818 45.100 -0.006 0.000 0.769 324 G HN 0.379 nan 8.290 nan 0.000 0.547 325 T N 1.307 115.825 114.554 -0.060 0.000 2.737 325 T HA -0.026 4.325 4.350 0.001 0.000 0.265 325 T C 2.367 176.965 174.700 -0.169 0.000 1.038 325 T CA 0.814 62.855 62.100 -0.098 0.000 1.144 325 T CB -0.167 68.647 68.868 -0.090 0.000 0.866 325 T HN 0.230 nan 8.240 nan 0.000 0.434 326 I N 0.802 121.271 120.570 -0.168 0.000 2.335 326 I HA -0.189 3.982 4.170 0.001 0.000 0.251 326 I C 2.632 178.635 176.117 -0.191 0.000 1.129 326 I CA 1.235 62.397 61.300 -0.231 0.000 1.402 326 I CB -0.228 37.697 38.000 -0.126 0.000 1.069 326 I HN 0.230 nan 8.210 nan 0.000 0.424 327 E N 0.838 120.973 120.200 -0.109 0.000 2.072 327 E HA -0.117 4.233 4.350 0.001 0.000 0.190 327 E C 2.199 178.751 176.600 -0.080 0.000 0.982 327 E CA 1.264 57.623 56.400 -0.069 0.000 0.803 327 E CB -0.082 29.598 29.700 -0.033 0.000 0.755 327 E HN 0.423 nan 8.360 nan 0.000 0.453 328 A N 0.248 123.011 122.820 -0.095 0.000 1.930 328 A HA -0.108 4.213 4.320 0.001 0.000 0.217 328 A C 2.158 179.678 177.584 -0.106 0.000 1.175 328 A CA 0.999 52.989 52.037 -0.079 0.000 0.627 328 A CB -0.609 18.350 19.000 -0.068 0.000 0.815 328 A HN 0.281 nan 8.150 nan 0.000 0.443 329 L N -0.761 120.316 121.223 -0.244 0.000 2.017 329 L HA -0.203 4.138 4.340 0.001 0.000 0.208 329 L C 3.139 179.893 176.870 -0.194 0.000 1.073 329 L CA 1.194 55.772 54.840 -0.436 0.000 0.745 329 L CB -0.559 40.778 42.059 -1.203 0.000 0.894 329 L HN 0.432 nan 8.230 nan 0.000 0.432 330 A N -0.630 122.106 122.820 -0.139 0.000 1.858 330 A HA -0.293 4.028 4.320 0.001 0.000 0.216 330 A C 2.258 179.886 177.584 0.073 0.000 1.190 330 A CA 1.953 54.023 52.037 0.056 0.000 0.617 330 A CB -0.689 18.331 19.000 0.032 0.000 0.827 330 A HN 0.499 nan 8.150 nan 0.000 0.443 331 Q N -0.585 119.234 119.800 0.031 0.000 2.030 331 Q HA -0.156 4.185 4.340 0.001 0.000 0.204 331 Q C 2.216 178.263 176.000 0.078 0.000 0.986 331 Q CA 1.876 57.704 55.803 0.041 0.000 0.843 331 Q CB -0.354 28.391 28.738 0.011 0.000 0.904 331 Q HN 0.582 nan 8.270 nan 0.000 0.420 332 A N -0.260 122.613 122.820 0.089 0.000 1.898 332 A HA -0.138 4.183 4.320 0.001 0.000 0.216 332 A C 2.204 179.930 177.584 0.235 0.000 1.181 332 A CA 1.829 53.945 52.037 0.131 0.000 0.620 332 A CB -1.049 18.023 19.000 0.120 0.000 0.819 332 A HN 0.493 nan 8.150 nan 0.000 0.442 333 T N -0.590 114.151 114.554 0.311 0.000 3.051 333 T HA 0.123 4.473 4.350 0.001 0.000 0.269 333 T C 1.655 176.597 174.700 0.404 0.000 1.127 333 T CA 1.282 63.682 62.100 0.501 0.000 1.107 333 T CB -0.415 68.620 68.868 0.278 0.000 0.898 333 T HN 0.496 nan 8.240 nan 0.000 0.517 334 A N 0.173 123.132 122.820 0.231 0.000 2.119 334 A HA 0.054 4.375 4.320 0.001 0.000 0.216 334 A C 2.146 179.818 177.584 0.147 0.000 1.152 334 A CA 0.807 52.942 52.037 0.163 0.000 0.708 334 A CB -0.181 18.880 19.000 0.102 0.000 0.805 334 A HN 0.638 nan 8.150 nan 0.000 0.460 335 Q N -0.005 119.885 119.800 0.151 0.000 2.200 335 Q HA -0.005 4.336 4.340 0.001 0.000 0.197 335 Q C -0.416 175.638 176.000 0.090 0.000 0.953 335 Q CA 0.172 56.033 55.803 0.097 0.000 0.851 335 Q CB -0.140 28.638 28.738 0.066 0.000 0.938 335 Q HN 0.417 nan 8.270 nan 0.000 0.488 336 D N 1.570 122.042 120.400 0.121 0.000 2.518 336 D HA 0.005 4.646 4.640 0.001 0.000 0.270 336 D C 0.024 176.354 176.300 0.050 0.000 1.338 336 D CA 0.327 54.303 54.000 -0.040 0.000 0.983 336 D CB 0.742 41.413 40.800 -0.215 0.000 1.126 336 D HN 0.285 nan 8.370 nan 0.000 0.543 337 A N 2.140 124.949 122.820 -0.019 0.000 2.348 337 A HA 0.422 4.743 4.320 0.001 0.000 0.224 337 A C 1.088 178.676 177.584 0.008 0.000 1.227 337 A CA 0.030 52.096 52.037 0.049 0.000 0.885 337 A CB 0.493 19.511 19.000 0.030 0.000 0.933 337 A HN 0.442 nan 8.150 nan 0.000 0.506 338 A N -0.420 122.320 122.820 -0.133 0.000 3.248 338 A HA 0.515 4.836 4.320 0.001 0.000 0.315 338 A C -0.981 176.473 177.584 -0.216 0.000 0.974 338 A CA -0.495 51.464 52.037 -0.130 0.000 0.939 338 A CB -0.492 18.425 19.000 -0.138 0.000 1.061 338 A HN 0.429 nan 8.150 nan 0.000 0.481 339 W N 1.399 122.696 121.300 -0.004 0.000 2.287 339 W HA 0.486 5.147 4.660 0.001 0.000 0.313 339 W C -2.068 174.446 176.519 -0.009 0.000 1.267 339 W CA -1.738 55.602 57.345 -0.009 0.000 1.201 339 W CB 0.366 29.811 29.460 -0.025 0.000 1.196 339 W HN 0.343 nan 8.180 nan 0.000 0.536 340 P HA -0.087 nan 4.420 nan 0.000 0.266 340 P C -0.325 177.056 177.300 0.134 0.000 1.195 340 P CA 0.009 63.186 63.100 0.130 0.000 0.768 340 P CB 0.585 32.351 31.700 0.110 0.000 0.838 341 D N 2.329 122.785 120.400 0.093 0.000 2.425 341 D HA 0.014 4.655 4.640 0.001 0.000 0.247 341 D C 0.517 176.874 176.300 0.095 0.000 1.147 341 D CA 0.030 54.078 54.000 0.080 0.000 0.879 341 D CB 0.582 41.418 40.800 0.059 0.000 1.179 341 D HN 0.174 nan 8.370 nan 0.000 0.456 342 R N 2.948 123.506 120.500 0.097 0.000 2.577 342 R HA 0.236 4.577 4.340 0.001 0.000 0.344 342 R C 1.636 178.009 176.300 0.123 0.000 1.037 342 R CA -0.015 56.179 56.100 0.157 0.000 1.102 342 R CB 0.050 30.471 30.300 0.203 0.000 1.313 342 R HN 0.496 nan 8.270 nan 0.000 0.561 343 G N 1.668 110.508 108.800 0.067 0.000 2.469 343 G HA2 -0.360 3.600 3.960 0.001 0.000 0.219 343 G HA3 -0.360 3.600 3.960 0.001 0.000 0.219 343 G C 1.104 176.034 174.900 0.050 0.000 1.150 343 G CA 1.391 46.510 45.100 0.033 0.000 0.763 343 G HN 0.297 nan 8.290 nan 0.000 0.561 344 D N -1.159 119.298 120.400 0.094 0.000 2.117 344 D HA -0.112 4.529 4.640 0.001 0.000 0.198 344 D C 1.979 178.399 176.300 0.199 0.000 0.982 344 D CA 0.967 55.039 54.000 0.119 0.000 0.828 344 D CB -0.335 40.538 40.800 0.120 0.000 0.967 344 D HN 0.507 nan 8.370 nan 0.000 0.464 345 W N 0.399 121.716 121.300 0.028 0.000 2.381 345 W HA -0.203 4.458 4.660 0.001 0.000 0.301 345 W C 1.895 178.446 176.519 0.054 0.000 1.205 345 W CA 0.668 58.043 57.345 0.049 0.000 1.285 345 W CB -0.415 29.073 29.460 0.046 0.000 1.133 345 W HN 0.061 nan 8.180 nan 0.000 0.521 346 C N 1.073 120.282 119.300 -0.153 0.000 2.413 346 C HA -0.185 4.276 4.460 0.001 0.000 0.276 346 C C 3.198 178.051 174.990 -0.229 0.000 1.236 346 C CA 1.901 60.744 59.018 -0.292 0.000 1.735 346 C CB -1.597 26.046 27.740 -0.162 0.000 2.031 346 C HN 0.519 nan 8.230 nan 0.000 0.474 347 A N 0.454 123.208 122.820 -0.110 0.000 1.908 347 A HA -0.265 4.056 4.320 0.001 0.000 0.218 347 A C 2.071 179.604 177.584 -0.085 0.000 1.181 347 A CA 2.402 54.392 52.037 -0.077 0.000 0.627 347 A CB -0.562 18.422 19.000 -0.026 0.000 0.818 347 A HN 0.615 nan 8.150 nan 0.000 0.445 348 K N -0.395 119.964 120.400 -0.069 0.000 2.032 348 K HA -0.092 4.229 4.320 0.001 0.000 0.209 348 K C 1.719 178.225 176.600 -0.156 0.000 1.048 348 K CA 1.834 58.089 56.287 -0.053 0.000 0.927 348 K CB -0.492 32.079 32.500 0.117 0.000 0.712 348 K HN 0.194 nan 8.250 nan 0.000 0.441 349 V N 0.557 120.282 119.914 -0.315 0.000 2.270 349 V HA -0.252 3.869 4.120 0.001 0.000 0.245 349 V C 2.071 178.114 176.094 -0.085 0.000 1.043 349 V CA 2.356 64.541 62.300 -0.193 0.000 1.014 349 V CB -0.782 30.783 31.823 -0.430 0.000 0.645 349 V HN 0.499 nan 8.190 nan 0.000 0.447 350 T N -0.232 114.232 114.554 -0.150 0.000 2.665 350 T HA -0.231 4.119 4.350 0.001 0.000 0.268 350 T C 1.549 176.202 174.700 -0.079 0.000 1.035 350 T CA 1.822 63.851 62.100 -0.117 0.000 1.151 350 T CB -0.406 68.384 68.868 -0.130 0.000 0.862 350 T HN 0.440 nan 8.240 nan 0.000 0.438 351 D N 0.564 120.916 120.400 -0.080 0.000 2.317 351 D HA 0.111 4.752 4.640 0.001 0.000 0.211 351 D C 1.968 178.231 176.300 -0.062 0.000 0.966 351 D CA 0.347 54.310 54.000 -0.061 0.000 0.876 351 D CB -0.160 40.608 40.800 -0.054 0.000 0.927 351 D HN 0.323 nan 8.370 nan 0.000 0.519 352 L N 0.308 121.475 121.223 -0.093 0.000 2.162 352 L HA 0.035 4.375 4.340 0.001 0.000 0.205 352 L C 2.404 179.246 176.870 -0.046 0.000 1.086 352 L CA 0.659 55.413 54.840 -0.143 0.000 0.778 352 L CB -0.170 41.654 42.059 -0.392 0.000 0.928 352 L HN -0.056 nan 8.230 nan 0.000 0.446 353 A N -0.286 122.551 122.820 0.030 0.000 1.933 353 A HA -0.275 4.045 4.320 0.001 0.000 0.218 353 A C 2.163 179.796 177.584 0.082 0.000 1.175 353 A CA 1.909 54.004 52.037 0.096 0.000 0.628 353 A CB -0.457 18.611 19.000 0.114 0.000 0.814 353 A HN 0.421 nan 8.150 nan 0.000 0.444 354 Q N 0.127 119.943 119.800 0.027 0.000 2.123 354 Q HA -0.122 4.219 4.340 0.001 0.000 0.199 354 Q C 1.775 177.828 176.000 0.088 0.000 0.966 354 Q CA 2.073 57.896 55.803 0.033 0.000 0.845 354 Q CB -0.367 28.352 28.738 -0.031 0.000 0.907 354 Q HN 0.725 nan 8.270 nan 0.000 0.439 355 E N -0.149 120.074 120.200 0.039 0.000 2.077 355 E HA -0.210 4.140 4.350 0.001 0.000 0.193 355 E C 2.029 178.660 176.600 0.052 0.000 0.989 355 E CA 0.915 57.334 56.400 0.031 0.000 0.800 355 E CB -0.110 29.582 29.700 -0.013 0.000 0.746 355 E HN 0.316 nan 8.360 nan 0.000 0.452 356 R N -0.022 120.517 120.500 0.065 0.000 2.070 356 R HA -0.213 4.128 4.340 0.001 0.000 0.233 356 R C 2.312 178.673 176.300 0.101 0.000 1.137 356 R CA 1.613 57.758 56.100 0.074 0.000 0.945 356 R CB -0.446 29.911 30.300 0.094 0.000 0.845 356 R HN 0.213 nan 8.270 nan 0.000 0.430 357 Y N 0.567 120.889 120.300 0.037 0.000 2.053 357 Y HA -0.320 4.231 4.550 0.001 0.000 0.277 357 Y C 2.167 178.096 175.900 0.049 0.000 1.159 357 Y CA 2.328 60.473 58.100 0.075 0.000 1.125 357 Y CB -0.480 38.031 38.460 0.084 0.000 0.969 357 Y HN 0.246 nan 8.280 nan 0.000 0.492 358 A N -0.577 122.375 122.820 0.220 0.000 1.969 358 A HA -0.152 4.169 4.320 0.001 0.000 0.218 358 A C 2.365 179.928 177.584 -0.035 0.000 1.169 358 A CA 1.824 53.926 52.037 0.107 0.000 0.635 358 A CB -1.249 17.836 19.000 0.141 0.000 0.810 358 A HN 0.623 nan 8.150 nan 0.000 0.445 359 S N 0.092 115.770 115.700 -0.036 0.000 2.423 359 S HA -0.096 4.375 4.470 0.001 0.000 0.231 359 S C 1.743 176.255 174.600 -0.147 0.000 1.014 359 S CA 1.386 59.545 58.200 -0.068 0.000 0.965 359 S CB -0.684 62.495 63.200 -0.036 0.000 0.785 359 S HN 0.481 nan 8.310 nan 0.000 0.495 360 I N 2.004 122.435 120.570 -0.232 0.000 2.353 360 I HA -0.002 4.169 4.170 0.001 0.000 0.248 360 I C 2.957 178.667 176.117 -0.677 0.000 1.119 360 I CA 0.982 62.032 61.300 -0.418 0.000 1.417 360 I CB -0.498 37.220 38.000 -0.470 0.000 1.078 360 I HN 0.395 nan 8.210 nan 0.000 0.421 361 A N 0.730 123.198 122.820 -0.587 0.000 1.929 361 A HA -0.033 4.288 4.320 0.001 0.000 0.216 361 A C 2.540 180.011 177.584 -0.187 0.000 1.176 361 A CA 1.491 53.281 52.037 -0.411 0.000 0.628 361 A CB -0.721 18.223 19.000 -0.093 0.000 0.816 361 A HN 0.383 nan 8.150 nan 0.000 0.444 362 A N -0.307 122.428 122.820 -0.142 0.000 1.902 362 A HA -0.055 4.266 4.320 0.001 0.000 0.217 362 A C 1.708 179.237 177.584 -0.091 0.000 1.181 362 A CA 1.630 53.621 52.037 -0.077 0.000 0.623 362 A CB -0.231 18.735 19.000 -0.056 0.000 0.818 362 A HN 0.528 nan 8.150 nan 0.000 0.443 363 K N -1.437 118.878 120.400 -0.140 0.000 2.868 363 K HA 0.315 4.636 4.320 0.001 0.000 0.304 363 K C 1.116 177.569 176.600 -0.246 0.000 1.007 363 K CA 0.624 56.822 56.287 -0.149 0.000 1.123 363 K CB 0.240 32.667 32.500 -0.122 0.000 1.408 363 K HN 0.690 nan 8.250 nan 0.000 0.522 364 S N -1.393 114.117 115.700 -0.315 0.000 3.018 364 S HA -0.195 4.276 4.470 0.001 0.000 0.274 364 S C -0.028 174.346 174.600 -0.376 0.000 1.300 364 S CA 0.778 58.560 58.200 -0.696 0.000 1.179 364 S CB -2.758 59.665 63.200 -1.296 0.000 1.427 364 S HN 0.764 nan 8.310 nan 0.000 0.668 365 S N 0.713 116.303 115.700 -0.184 0.000 2.643 365 S HA 0.332 4.803 4.470 0.001 0.000 0.310 365 S C 0.642 175.133 174.600 -0.181 0.000 1.253 365 S CA 0.190 58.302 58.200 -0.146 0.000 1.047 365 S CB 0.782 63.919 63.200 -0.105 0.000 0.767 365 S HN 0.962 nan 8.310 nan 0.000 0.498 366 S N 1.580 117.100 115.700 -0.300 0.000 2.618 366 S HA 0.112 4.582 4.470 0.001 0.000 0.242 366 S C 1.243 175.764 174.600 -0.131 0.000 0.972 366 S CA -0.065 57.976 58.200 -0.265 0.000 1.004 366 S CB -0.227 62.674 63.200 -0.498 0.000 0.778 366 S HN 0.906 nan 8.310 nan 0.000 0.459 367 E N 0.848 120.980 120.200 -0.113 0.000 2.209 367 E HA -0.220 4.131 4.350 0.001 0.000 0.196 367 E C 1.321 177.966 176.600 0.074 0.000 0.993 367 E CA 1.341 57.700 56.400 -0.069 0.000 0.819 367 E CB 0.128 29.742 29.700 -0.144 0.000 0.745 367 E HN 0.492 nan 8.360 nan 0.000 0.477 368 H N -1.139 117.907 119.070 -0.040 0.000 2.367 368 H HA 0.453 5.009 4.556 0.001 0.000 0.304 368 H C 0.128 175.435 175.328 -0.034 0.000 1.023 368 H CA 0.892 56.923 56.048 -0.028 0.000 1.342 368 H CB 0.033 29.785 29.762 -0.017 0.000 1.486 368 H HN 0.164 nan 8.280 nan 0.000 0.596 369 A N 0.527 123.406 122.820 0.099 0.000 2.344 369 A HA 0.506 4.826 4.320 0.001 0.000 0.307 369 A C -1.017 176.546 177.584 -0.034 0.000 1.151 369 A CA -0.642 51.407 52.037 0.019 0.000 0.842 369 A CB 0.827 19.835 19.000 0.015 0.000 1.350 369 A HN 0.165 nan 8.150 nan 0.000 0.459 370 L N 1.895 123.083 121.223 -0.060 0.000 2.363 370 L HA 0.181 4.522 4.340 0.001 0.000 0.286 370 L C 0.498 177.307 176.870 -0.102 0.000 1.106 370 L CA -0.010 54.781 54.840 -0.082 0.000 0.859 370 L CB -0.459 41.556 42.059 -0.074 0.000 1.223 370 L HN 0.745 nan 8.230 nan 0.000 0.446 371 H N 7.058 126.008 119.070 -0.200 0.000 3.157 371 H HA 0.011 4.568 4.556 0.001 0.000 0.299 371 H C -1.696 173.430 175.328 -0.337 0.000 0.961 371 H CA -0.844 55.047 56.048 -0.263 0.000 1.428 371 H CB 1.110 30.760 29.762 -0.186 0.000 1.459 371 H HN 0.513 nan 8.280 nan 0.000 0.566 372 P HA -0.206 nan 4.420 nan 0.000 0.219 372 P C 1.394 178.446 177.300 -0.413 0.000 1.144 372 P CA 1.063 63.736 63.100 -0.713 0.000 0.806 372 P CB -0.252 30.687 31.700 -1.269 0.000 0.771 373 F N -0.540 119.123 119.950 -0.477 0.000 2.134 373 F HA -0.242 4.286 4.527 0.001 0.000 0.299 373 F C 2.432 178.267 175.800 0.058 0.000 1.097 373 F CA 1.677 59.687 58.000 0.016 0.000 1.264 373 F CB -0.478 38.648 39.000 0.210 0.000 1.001 373 F HN 0.052 nan 8.300 nan 0.000 0.479 374 H N -0.694 118.387 119.070 0.017 0.000 2.389 374 H HA -0.068 4.488 4.556 0.001 0.000 0.299 374 H C 2.325 177.638 175.328 -0.025 0.000 1.081 374 H CA 1.014 57.039 56.048 -0.037 0.000 1.345 374 H CB -0.254 29.534 29.762 0.043 0.000 1.393 374 H HN 0.411 nan 8.280 nan 0.000 0.520 375 A N 0.412 123.288 122.820 0.093 0.000 1.969 375 A HA -0.125 4.195 4.320 0.001 0.000 0.218 375 A C 2.575 180.264 177.584 0.174 0.000 1.169 375 A CA 1.545 53.655 52.037 0.122 0.000 0.635 375 A CB -0.291 18.650 19.000 -0.098 0.000 0.810 375 A HN 0.262 nan 8.150 nan 0.000 0.445 376 S N -0.523 115.190 115.700 0.022 0.000 2.395 376 S HA -0.127 4.344 4.470 0.001 0.000 0.225 376 S C 2.025 176.586 174.600 -0.065 0.000 1.027 376 S CA 1.141 59.347 58.200 0.010 0.000 0.965 376 S CB -0.248 62.960 63.200 0.013 0.000 0.812 376 S HN 0.691 nan 8.310 nan 0.000 0.482 377 Q N 0.537 120.209 119.800 -0.213 0.000 2.224 377 Q HA -0.043 4.297 4.340 0.001 0.000 0.203 377 Q C 2.161 178.100 176.000 -0.101 0.000 0.970 377 Q CA 0.966 56.633 55.803 -0.227 0.000 0.865 377 Q CB -0.255 28.244 28.738 -0.400 0.000 0.922 377 Q HN 0.345 nan 8.270 nan 0.000 0.445 378 V N 0.970 120.860 119.914 -0.040 0.000 2.295 378 V HA -0.280 3.841 4.120 0.001 0.000 0.246 378 V C 2.087 178.159 176.094 -0.036 0.000 1.049 378 V CA 1.659 63.927 62.300 -0.053 0.000 1.024 378 V CB -0.433 31.332 31.823 -0.098 0.000 0.648 378 V HN 0.359 nan 8.190 nan 0.000 0.447 379 I N 0.593 121.161 120.570 -0.004 0.000 2.208 379 I HA -0.255 3.916 4.170 0.001 0.000 0.245 379 I C 2.687 178.834 176.117 0.051 0.000 1.097 379 I CA 1.473 62.785 61.300 0.021 0.000 1.363 379 I CB -0.698 37.347 38.000 0.075 0.000 1.051 379 I HN 0.283 nan 8.210 nan 0.000 0.413 380 A N 1.914 124.738 122.820 0.007 0.000 1.917 380 A HA -0.241 4.079 4.320 0.001 0.000 0.219 380 A C 2.093 179.650 177.584 -0.045 0.000 1.182 380 A CA 1.977 54.000 52.037 -0.023 0.000 0.633 380 A CB -0.663 18.309 19.000 -0.046 0.000 0.819 380 A HN 0.574 nan 8.150 nan 0.000 0.448 381 K N -0.906 119.450 120.400 -0.072 0.000 2.611 381 K HA 0.003 4.324 4.320 0.001 0.000 0.193 381 K C -0.129 176.249 176.600 -0.369 0.000 1.026 381 K CA 0.976 57.149 56.287 -0.191 0.000 1.063 381 K CB -0.349 32.020 32.500 -0.219 0.000 0.839 381 K HN 0.662 nan 8.250 nan 0.000 0.505 382 H N -0.034 118.981 119.070 -0.092 0.000 2.649 382 H HA 0.245 4.802 4.556 0.001 0.000 0.258 382 H C -1.149 174.142 175.328 -0.062 0.000 1.165 382 H CA -0.392 55.606 56.048 -0.083 0.000 1.006 382 H CB 1.042 30.743 29.762 -0.102 0.000 1.743 382 H HN -0.096 nan 8.280 nan 0.000 0.609 383 V N 2.858 122.775 119.914 0.005 0.000 2.444 383 V HA 0.337 4.458 4.120 0.001 0.000 0.294 383 V C -0.629 175.444 176.094 -0.036 0.000 1.022 383 V CA -0.648 61.648 62.300 -0.007 0.000 0.850 383 V CB 1.605 33.418 31.823 -0.015 0.000 0.992 383 V HN 0.465 nan 8.190 nan 0.000 0.426 384 D N 4.042 124.426 120.400 -0.026 0.000 2.838 384 D HA 0.357 4.998 4.640 0.001 0.000 0.334 384 D C 0.884 177.169 176.300 -0.025 0.000 1.315 384 D CA -0.037 53.941 54.000 -0.036 0.000 0.917 384 D CB 1.605 42.380 40.800 -0.041 0.000 1.435 384 D HN 0.433 nan 8.370 nan 0.000 0.517 385 A N -0.365 122.438 122.820 -0.028 0.000 2.084 385 A HA 0.084 4.405 4.320 0.001 0.000 0.221 385 A C 1.771 179.347 177.584 -0.013 0.000 1.161 385 A CA 2.157 54.182 52.037 -0.021 0.000 0.653 385 A CB -1.232 17.753 19.000 -0.024 0.000 0.802 385 A HN 0.651 nan 8.150 nan 0.000 0.457 386 G N -1.610 107.184 108.800 -0.010 0.000 3.141 386 G HA2 0.398 4.359 3.960 0.001 0.000 0.218 386 G HA3 0.398 4.359 3.960 0.001 0.000 0.218 386 G C -0.042 174.860 174.900 0.004 0.000 1.170 386 G CA 0.408 45.505 45.100 -0.004 0.000 0.769 386 G HN 0.251 nan 8.290 nan 0.000 0.546 387 V N 0.696 120.614 119.914 0.006 0.000 2.577 387 V HA 0.381 4.502 4.120 0.001 0.000 0.303 387 V C -0.452 175.656 176.094 0.023 0.000 1.042 387 V CA -0.637 61.673 62.300 0.016 0.000 0.872 387 V CB 2.056 33.892 31.823 0.022 0.000 0.998 387 V HN 0.061 nan 8.190 nan 0.000 0.423 388 T N 4.420 118.988 114.554 0.023 0.000 2.733 388 T HA 0.424 4.775 4.350 0.001 0.000 0.294 388 T C -0.169 174.556 174.700 0.042 0.000 0.956 388 T CA -0.264 61.854 62.100 0.029 0.000 0.987 388 T CB 1.109 69.980 68.868 0.004 0.000 0.920 388 T HN 0.341 nan 8.240 nan 0.000 0.470 389 V N 5.190 125.159 119.914 0.090 0.000 2.334 389 V HA 0.258 4.379 4.120 0.001 0.000 0.267 389 V C 0.318 176.449 176.094 0.062 0.000 1.040 389 V CA -0.691 61.678 62.300 0.115 0.000 0.866 389 V CB 0.943 32.895 31.823 0.217 0.000 1.019 389 V HN 0.674 nan 8.190 nan 0.000 0.468 390 V N 4.342 124.240 119.914 -0.026 0.000 2.567 390 V HA 0.796 4.917 4.120 0.001 0.000 0.289 390 V C 0.494 176.512 176.094 -0.126 0.000 1.049 390 V CA -0.228 61.998 62.300 -0.123 0.000 0.969 390 V CB 1.569 33.318 31.823 -0.123 0.000 0.995 390 V HN 0.958 nan 8.190 nan 0.000 0.471 391 A N 3.291 125.974 122.820 -0.229 0.000 2.393 391 A HA 0.791 5.111 4.320 0.001 0.000 0.306 391 A C -0.983 176.417 177.584 -0.307 0.000 1.050 391 A CA -0.452 51.476 52.037 -0.180 0.000 0.724 391 A CB 1.674 20.616 19.000 -0.097 0.000 1.248 391 A HN 0.741 nan 8.150 nan 0.000 0.424 392 D N 0.160 120.453 120.400 -0.178 0.000 2.592 392 D HA 0.678 5.319 4.640 0.001 0.000 0.263 392 D C 0.061 176.397 176.300 0.060 0.000 1.132 392 D CA 0.914 54.809 54.000 -0.175 0.000 0.996 392 D CB 2.020 42.761 40.800 -0.098 0.000 1.442 392 D HN 1.743 nan 8.370 nan 0.000 0.486 393 G N -0.445 108.480 108.800 0.210 0.000 2.850 393 G HA2 0.219 4.180 3.960 0.001 0.000 0.686 393 G HA3 0.219 4.180 3.960 0.001 0.000 0.686 393 G C 0.520 175.629 174.900 0.349 0.000 1.164 393 G CA 0.285 45.544 45.100 0.264 0.000 0.826 393 G HN 0.663 nan 8.290 nan 0.000 0.586 394 A N 2.079 125.041 122.820 0.236 0.000 1.835 394 A HA 0.310 4.631 4.320 0.001 0.000 0.213 394 A C 2.551 179.926 177.584 -0.347 0.000 1.210 394 A CA 2.303 54.315 52.037 -0.041 0.000 0.605 394 A CB -0.403 18.601 19.000 0.005 0.000 0.860 394 A HN 1.876 nan 8.150 nan 0.000 0.447 395 L N 0.327 121.464 121.223 -0.142 0.000 2.187 395 L HA -0.109 4.232 4.340 0.001 0.000 0.213 395 L C 2.298 179.190 176.870 0.036 0.000 1.100 395 L CA 2.673 57.433 54.840 -0.134 0.000 0.765 395 L CB -1.024 40.991 42.059 -0.074 0.000 0.904 395 L HN 0.417 nan 8.230 nan 0.000 0.437 396 T N -0.781 113.822 114.554 0.082 0.000 2.643 396 T HA -0.231 4.120 4.350 0.001 0.000 0.264 396 T C 1.678 176.507 174.700 0.215 0.000 1.045 396 T CA 2.057 64.262 62.100 0.176 0.000 1.155 396 T CB -0.628 68.322 68.868 0.137 0.000 0.863 396 T HN 0.649 nan 8.240 nan 0.000 0.420 397 Y N 1.472 121.855 120.300 0.139 0.000 2.373 397 Y HA 0.216 4.767 4.550 0.001 0.000 0.293 397 Y C 1.818 177.829 175.900 0.185 0.000 1.129 397 Y CA 0.422 58.622 58.100 0.167 0.000 1.226 397 Y CB -1.073 37.456 38.460 0.115 0.000 1.000 397 Y HN 0.103 nan 8.280 nan 0.000 0.549 398 L N -1.367 119.683 121.223 -0.288 0.000 2.456 398 L HA -0.112 4.229 4.340 0.001 0.000 0.224 398 L C 1.597 178.341 176.870 -0.210 0.000 1.148 398 L CA 1.036 55.706 54.840 -0.284 0.000 0.825 398 L CB -0.433 41.304 42.059 -0.537 0.000 0.937 398 L HN 0.350 nan 8.230 nan 0.000 0.450 399 W N -1.278 120.058 121.300 0.061 0.000 2.574 399 W HA -0.010 4.651 4.660 0.001 0.000 0.282 399 W C 2.177 178.785 176.519 0.149 0.000 1.197 399 W CA -0.395 57.026 57.345 0.127 0.000 1.376 399 W CB -0.188 29.334 29.460 0.104 0.000 1.091 399 W HN -0.059 nan 8.180 nan 0.000 0.569 400 L N 1.171 122.617 121.223 0.373 0.000 2.042 400 L HA -0.248 4.093 4.340 0.001 0.000 0.210 400 L C 2.655 179.639 176.870 0.189 0.000 1.076 400 L CA 2.483 57.483 54.840 0.266 0.000 0.749 400 L CB -1.041 41.195 42.059 0.294 0.000 0.893 400 L HN 0.018 nan 8.230 nan 0.000 0.432 401 S N -1.224 114.610 115.700 0.223 0.000 2.383 401 S HA -0.208 4.262 4.470 0.001 0.000 0.229 401 S C 1.704 176.343 174.600 0.065 0.000 1.030 401 S CA 1.307 59.559 58.200 0.087 0.000 1.002 401 S CB -0.726 62.546 63.200 0.120 0.000 0.829 401 S HN 0.596 nan 8.310 nan 0.000 0.467 402 E N 1.184 121.484 120.200 0.167 0.000 2.347 402 E HA -0.025 4.326 4.350 0.001 0.000 0.196 402 E C 2.270 179.044 176.600 0.290 0.000 1.008 402 E CA 1.256 57.796 56.400 0.233 0.000 0.852 402 E CB -0.255 29.640 29.700 0.325 0.000 0.783 402 E HN 0.782 nan 8.360 nan 0.000 0.505 403 V N -3.051 116.978 119.914 0.192 0.000 3.263 403 V HA 0.028 4.149 4.120 0.001 0.000 0.248 403 V C 2.096 178.218 176.094 0.046 0.000 1.145 403 V CA 0.110 62.509 62.300 0.165 0.000 1.107 403 V CB -0.074 31.753 31.823 0.006 0.000 0.797 403 V HN -0.041 nan 8.190 nan 0.000 0.467 404 M N 1.553 121.114 119.600 -0.066 0.000 2.080 404 M HA 0.017 4.498 4.480 0.001 0.000 0.260 404 M C 1.309 177.493 176.300 -0.193 0.000 1.068 404 M CA 1.195 56.355 55.300 -0.233 0.000 1.109 404 M CB -1.399 30.864 32.600 -0.561 0.000 1.342 404 M HN 0.459 nan 8.290 nan 0.000 0.405 405 S N 1.257 116.883 115.700 -0.123 0.000 2.596 405 S HA 0.056 4.526 4.470 0.001 0.000 0.298 405 S C 1.052 175.601 174.600 -0.085 0.000 1.255 405 S CA 0.135 58.289 58.200 -0.078 0.000 1.083 405 S CB 0.053 63.259 63.200 0.010 0.000 0.837 405 S HN 0.429 nan 8.310 nan 0.000 0.499 406 R N 0.285 120.709 120.500 -0.126 0.000 3.822 406 R HA -0.133 4.208 4.340 0.001 0.000 0.366 406 R C -1.333 174.874 176.300 -0.155 0.000 1.137 406 R CA 0.340 56.345 56.100 -0.159 0.000 0.933 406 R CB -1.861 28.306 30.300 -0.221 0.000 1.522 406 R HN 0.473 nan 8.270 nan 0.000 0.519 407 V N 0.837 120.669 119.914 -0.137 0.000 2.888 407 V HA 0.375 4.496 4.120 0.001 0.000 0.309 407 V C -0.675 175.347 176.094 -0.120 0.000 1.114 407 V CA -0.948 61.280 62.300 -0.121 0.000 0.940 407 V CB 2.161 33.920 31.823 -0.107 0.000 1.021 407 V HN 0.059 nan 8.190 nan 0.000 0.426 408 K N 5.004 125.345 120.400 -0.098 0.000 2.347 408 K HA 0.478 4.798 4.320 0.001 0.000 0.262 408 K C -2.708 173.855 176.600 -0.062 0.000 1.052 408 K CA -1.580 54.656 56.287 -0.085 0.000 0.946 408 K CB 1.028 33.483 32.500 -0.074 0.000 1.220 408 K HN 0.387 nan 8.250 nan 0.000 0.450 409 P HA 0.072 nan 4.420 nan 0.000 0.281 409 P C 0.422 177.722 177.300 0.001 0.000 1.249 409 P CA -0.407 62.684 63.100 -0.015 0.000 0.810 409 P CB 1.537 33.245 31.700 0.013 0.000 1.008 410 G N 1.369 110.174 108.800 0.008 0.000 2.402 410 G HA2 0.131 4.092 3.960 0.001 0.000 0.216 410 G HA3 0.131 4.092 3.960 0.001 0.000 0.216 410 G C 0.648 175.558 174.900 0.017 0.000 1.162 410 G CA 0.674 45.777 45.100 0.005 0.000 0.777 410 G HN 0.790 nan 8.290 nan 0.000 0.539 411 G N -1.504 107.320 108.800 0.040 0.000 2.682 411 G HA2 0.477 4.438 3.960 0.001 0.000 0.300 411 G HA3 0.477 4.438 3.960 0.001 0.000 0.300 411 G C -1.975 173.013 174.900 0.146 0.000 1.391 411 G CA -0.710 44.425 45.100 0.058 0.000 0.990 411 G HN 0.156 nan 8.290 nan 0.000 0.501 412 F N 3.198 123.128 119.950 -0.034 0.000 2.676 412 F HA 0.579 5.106 4.527 0.001 0.000 0.371 412 F C -0.883 174.898 175.800 -0.031 0.000 1.141 412 F CA -1.261 56.720 58.000 -0.030 0.000 1.133 412 F CB 0.775 39.758 39.000 -0.028 0.000 1.376 412 F HN 0.285 nan 8.300 nan 0.000 0.491 413 L N 5.701 126.685 121.223 -0.400 0.000 2.309 413 L HA 0.705 5.045 4.340 0.001 0.000 0.282 413 L C -0.102 176.405 176.870 -0.605 0.000 1.036 413 L CA -0.656 53.941 54.840 -0.405 0.000 0.806 413 L CB 1.437 43.358 42.059 -0.231 0.000 1.220 413 L HN 0.676 nan 8.230 nan 0.000 0.429 414 C N -0.019 118.949 119.300 -0.554 0.000 3.258 414 C HA 0.374 4.835 4.460 0.001 0.000 0.376 414 C C -0.380 174.277 174.990 -0.554 0.000 1.869 414 C CA -0.594 58.029 59.018 -0.658 0.000 1.189 414 C CB 1.954 29.262 27.740 -0.721 0.000 2.230 414 C HN 0.844 nan 8.230 nan 0.000 0.432 415 H N -0.058 118.627 119.070 -0.642 0.000 2.722 415 H HA 0.432 4.989 4.556 0.001 0.000 0.328 415 H C 0.760 175.741 175.328 -0.578 0.000 1.067 415 H CA 0.673 56.385 56.048 -0.560 0.000 1.447 415 H CB 0.950 30.357 29.762 -0.591 0.000 1.469 415 H HN 0.783 nan 8.280 nan 0.000 0.544 416 G N 1.299 109.938 108.800 -0.268 0.000 2.829 416 G HA2 -0.043 3.918 3.960 0.001 0.000 0.173 416 G HA3 -0.043 3.918 3.960 0.001 0.000 0.173 416 G C -0.043 174.628 174.900 -0.382 0.000 1.476 416 G CA -0.368 44.513 45.100 -0.366 0.000 1.072 416 G HN 0.679 nan 8.290 nan 0.000 0.577 417 Y N -0.697 119.549 120.300 -0.091 0.000 2.519 417 Y HA 0.126 4.677 4.550 0.001 0.000 0.287 417 Y C 2.418 178.282 175.900 -0.060 0.000 1.128 417 Y CA 0.037 58.100 58.100 -0.062 0.000 1.282 417 Y CB -0.053 38.389 38.460 -0.028 0.000 1.027 417 Y HN 0.229 nan 8.280 nan 0.000 0.551 418 L N 0.315 121.571 121.223 0.055 0.000 2.093 418 L HA 0.102 4.443 4.340 0.001 0.000 0.208 418 L C 1.875 178.673 176.870 -0.120 0.000 1.085 418 L CA 1.713 56.551 54.840 -0.004 0.000 0.755 418 L CB -0.875 41.187 42.059 0.005 0.000 0.904 418 L HN 0.304 nan 8.230 nan 0.000 0.435 419 G N -0.026 108.635 108.800 -0.230 0.000 2.305 419 G HA2 -0.325 3.636 3.960 0.001 0.000 0.287 419 G HA3 -0.325 3.636 3.960 0.001 0.000 0.287 419 G C 0.422 174.980 174.900 -0.569 0.000 1.036 419 G CA 0.647 45.477 45.100 -0.451 0.000 0.887 419 G HN 0.582 nan 8.290 nan 0.000 0.505 420 S N 0.293 115.705 115.700 -0.481 0.000 2.499 420 S HA 0.612 5.082 4.470 0.001 0.000 0.275 420 S C 1.131 175.459 174.600 -0.453 0.000 1.257 420 S CA -0.695 57.276 58.200 -0.381 0.000 1.050 420 S CB 0.076 63.138 63.200 -0.231 0.000 0.937 420 S HN 0.300 nan 8.310 nan 0.000 0.490 421 M N 3.871 123.237 119.600 -0.390 0.000 2.217 421 M HA 0.282 4.763 4.480 0.001 0.000 0.354 421 M C 1.544 177.472 176.300 -0.619 0.000 1.225 421 M CA 0.632 55.784 55.300 -0.247 0.000 1.137 421 M CB -0.066 32.526 32.600 -0.012 0.000 1.576 421 M HN 1.022 nan 8.290 nan 0.000 0.461 422 G N 1.527 110.157 108.800 -0.283 0.000 2.176 422 G HA2 -0.233 3.728 3.960 0.001 0.000 0.232 422 G HA3 -0.233 3.728 3.960 0.001 0.000 0.232 422 G C 0.485 175.265 174.900 -0.201 0.000 0.986 422 G CA 0.395 45.328 45.100 -0.277 0.000 0.643 422 G HN 0.762 nan 8.290 nan 0.000 0.522 423 V N -0.639 119.098 119.914 -0.295 0.000 2.970 423 V HA 0.345 4.466 4.120 0.001 0.000 0.260 423 V C 2.475 178.359 176.094 -0.350 0.000 1.100 423 V CA 2.204 64.156 62.300 -0.581 0.000 1.122 423 V CB -0.749 30.659 31.823 -0.692 0.000 0.721 423 V HN 0.940 nan 8.190 nan 0.000 0.483 424 G N -0.776 107.918 108.800 -0.176 0.000 2.422 424 G HA2 -0.198 3.763 3.960 0.001 0.000 0.218 424 G HA3 -0.198 3.763 3.960 0.001 0.000 0.218 424 G C 1.308 176.178 174.900 -0.050 0.000 1.140 424 G CA 0.929 45.940 45.100 -0.148 0.000 0.775 424 G HN 0.484 nan 8.290 nan 0.000 0.545 425 F N 2.278 122.155 119.950 -0.121 0.000 2.098 425 F HA 0.104 4.632 4.527 0.001 0.000 0.294 425 F C 2.681 178.425 175.800 -0.094 0.000 1.107 425 F CA 0.977 58.908 58.000 -0.115 0.000 1.234 425 F CB -0.817 38.112 39.000 -0.118 0.000 1.002 425 F HN 0.138 nan 8.300 nan 0.000 0.472 426 G N -0.884 108.038 108.800 0.203 0.000 2.476 426 G HA2 -0.297 3.664 3.960 0.001 0.000 0.218 426 G HA3 -0.297 3.664 3.960 0.001 0.000 0.218 426 G C 1.682 176.615 174.900 0.055 0.000 1.164 426 G CA 1.651 46.826 45.100 0.124 0.000 0.768 426 G HN 0.379 nan 8.290 nan 0.000 0.560 427 T N 1.694 116.256 114.554 0.013 0.000 2.684 427 T HA -0.070 4.280 4.350 0.001 0.000 0.267 427 T C 2.791 177.458 174.700 -0.055 0.000 1.036 427 T CA 1.855 63.922 62.100 -0.056 0.000 1.148 427 T CB -0.459 68.337 68.868 -0.120 0.000 0.863 427 T HN 0.406 nan 8.240 nan 0.000 0.436 428 A N 1.082 123.885 122.820 -0.029 0.000 1.930 428 A HA 0.046 4.366 4.320 0.001 0.000 0.217 428 A C 2.249 179.848 177.584 0.026 0.000 1.175 428 A CA 1.199 53.223 52.037 -0.022 0.000 0.627 428 A CB -0.731 18.235 19.000 -0.057 0.000 0.815 428 A HN 0.416 nan 8.150 nan 0.000 0.443 429 L N 0.175 121.445 121.223 0.078 0.000 2.012 429 L HA -0.046 4.294 4.340 0.001 0.000 0.210 429 L C 2.295 179.200 176.870 0.060 0.000 1.073 429 L CA 2.585 57.482 54.840 0.095 0.000 0.748 429 L CB -1.067 41.053 42.059 0.101 0.000 0.891 429 L HN 0.256 nan 8.230 nan 0.000 0.431 430 G N -1.370 107.380 108.800 -0.083 0.000 2.403 430 G HA2 -0.125 3.835 3.960 0.001 0.000 0.216 430 G HA3 -0.125 3.835 3.960 0.001 0.000 0.216 430 G C 1.582 176.478 174.900 -0.007 0.000 1.154 430 G CA 0.675 45.621 45.100 -0.257 0.000 0.784 430 G HN 0.665 nan 8.290 nan 0.000 0.538 431 A N 0.498 123.301 122.820 -0.028 0.000 1.877 431 A HA -0.112 4.209 4.320 0.001 0.000 0.216 431 A C 2.298 179.893 177.584 0.018 0.000 1.186 431 A CA 2.257 54.283 52.037 -0.018 0.000 0.620 431 A CB -0.537 18.439 19.000 -0.041 0.000 0.822 431 A HN 0.396 nan 8.150 nan 0.000 0.443 432 Q N 0.037 119.862 119.800 0.041 0.000 2.112 432 Q HA -0.144 4.197 4.340 0.001 0.000 0.206 432 Q C 1.850 177.895 176.000 0.075 0.000 0.987 432 Q CA 2.302 58.139 55.803 0.056 0.000 0.858 432 Q CB -0.698 28.082 28.738 0.070 0.000 0.905 432 Q HN 0.360 nan 8.270 nan 0.000 0.420 433 V N 0.623 120.615 119.914 0.130 0.000 2.287 433 V HA -0.316 3.804 4.120 0.001 0.000 0.248 433 V C 2.298 178.442 176.094 0.084 0.000 1.053 433 V CA 1.992 64.370 62.300 0.130 0.000 1.027 433 V CB -1.389 30.594 31.823 0.265 0.000 0.646 433 V HN 0.552 nan 8.190 nan 0.000 0.447 434 A N -0.492 122.393 122.820 0.108 0.000 1.972 434 A HA -0.232 4.088 4.320 0.001 0.000 0.219 434 A C 1.963 179.504 177.584 -0.070 0.000 1.169 434 A CA 1.869 53.834 52.037 -0.120 0.000 0.635 434 A CB -0.522 18.248 19.000 -0.383 0.000 0.810 434 A HN 0.566 nan 8.150 nan 0.000 0.446 435 D N -0.744 119.641 120.400 -0.024 0.000 2.312 435 D HA -0.037 4.604 4.640 0.001 0.000 0.211 435 D C 1.583 177.890 176.300 0.011 0.000 0.964 435 D CA 0.502 54.496 54.000 -0.011 0.000 0.877 435 D CB 0.049 40.849 40.800 0.000 0.000 0.924 435 D HN 0.316 nan 8.370 nan 0.000 0.515 436 L N 1.336 122.574 121.223 0.026 0.000 2.131 436 L HA -0.071 4.270 4.340 0.001 0.000 0.206 436 L C 2.223 179.121 176.870 0.046 0.000 1.087 436 L CA 1.369 56.233 54.840 0.041 0.000 0.767 436 L CB -0.387 41.704 42.059 0.054 0.000 0.917 436 L HN 0.064 nan 8.230 nan 0.000 0.441 437 E N -1.270 118.961 120.200 0.051 0.000 2.216 437 E HA -0.096 4.254 4.350 0.001 0.000 0.192 437 E C 1.860 178.480 176.600 0.033 0.000 0.988 437 E CA 0.955 57.393 56.400 0.062 0.000 0.834 437 E CB -0.345 29.417 29.700 0.105 0.000 0.772 437 E HN 0.372 nan 8.360 nan 0.000 0.479 438 A N 1.208 124.034 122.820 0.011 0.000 2.067 438 A HA 0.251 4.572 4.320 0.001 0.000 0.217 438 A C 2.122 179.710 177.584 0.007 0.000 1.156 438 A CA 1.033 53.069 52.037 -0.001 0.000 0.683 438 A CB -0.569 18.418 19.000 -0.021 0.000 0.808 438 A HN 0.529 nan 8.150 nan 0.000 0.455 439 G N -1.159 107.650 108.800 0.015 0.000 2.179 439 G HA2 -0.262 3.699 3.960 0.001 0.000 0.260 439 G HA3 -0.262 3.699 3.960 0.001 0.000 0.260 439 G C 0.442 175.351 174.900 0.014 0.000 0.977 439 G CA 0.409 45.519 45.100 0.017 0.000 0.641 439 G HN 0.648 nan 8.290 nan 0.000 0.533 440 R N -0.497 120.009 120.500 0.010 0.000 2.580 440 R HA 0.689 5.030 4.340 0.001 0.000 0.267 440 R C 0.255 176.564 176.300 0.016 0.000 1.125 440 R CA -0.578 55.528 56.100 0.009 0.000 1.188 440 R CB 0.616 30.917 30.300 0.001 0.000 1.155 440 R HN 0.114 nan 8.270 nan 0.000 0.586 441 R N 0.452 120.963 120.500 0.017 0.000 2.599 441 R HA 0.300 4.641 4.340 0.001 0.000 0.295 441 R C -1.196 175.116 176.300 0.021 0.000 0.963 441 R CA -0.393 55.721 56.100 0.023 0.000 0.883 441 R CB 2.247 32.562 30.300 0.025 0.000 1.171 441 R HN 0.618 nan 8.270 nan 0.000 0.450 442 T N 4.691 119.259 114.554 0.023 0.000 2.795 442 T HA 0.532 4.883 4.350 0.001 0.000 0.282 442 T C 0.315 175.022 174.700 0.013 0.000 0.980 442 T CA -0.400 61.709 62.100 0.016 0.000 1.012 442 T CB 1.077 69.953 68.868 0.014 0.000 0.936 442 T HN 0.390 nan 8.240 nan 0.000 0.457 443 I N 3.453 124.027 120.570 0.007 0.000 2.436 443 I HA 0.397 4.567 4.170 0.001 0.000 0.289 443 I C -0.910 175.196 176.117 -0.018 0.000 1.010 443 I CA -1.066 60.234 61.300 0.001 0.000 1.098 443 I CB 1.908 39.914 38.000 0.011 0.000 1.266 443 I HN 0.371 nan 8.210 nan 0.000 0.434 444 L N 8.602 129.792 121.223 -0.055 0.000 2.280 444 L HA 0.538 4.879 4.340 0.001 0.000 0.287 444 L C -0.858 175.967 176.870 -0.074 0.000 1.023 444 L CA -0.260 54.519 54.840 -0.102 0.000 0.819 444 L CB 1.401 43.327 42.059 -0.221 0.000 1.212 444 L HN 0.322 nan 8.230 nan 0.000 0.420 445 V N 4.824 124.716 119.914 -0.036 0.000 2.311 445 V HA 0.524 4.645 4.120 0.001 0.000 0.275 445 V C 0.268 176.349 176.094 -0.021 0.000 1.022 445 V CA -0.240 62.060 62.300 -0.001 0.000 0.830 445 V CB 0.853 32.716 31.823 0.067 0.000 1.012 445 V HN 0.893 nan 8.190 nan 0.000 0.452 446 T N 3.483 118.007 114.554 -0.050 0.000 2.916 446 T HA 0.720 5.070 4.350 0.001 0.000 0.292 446 T C 0.386 175.061 174.700 -0.042 0.000 1.055 446 T CA 0.102 62.174 62.100 -0.047 0.000 1.009 446 T CB 1.758 70.571 68.868 -0.092 0.000 1.118 446 T HN 0.812 nan 8.240 nan 0.000 0.497 447 G N 1.371 110.171 108.800 0.001 0.000 2.606 447 G HA2 0.253 4.214 3.960 0.001 0.000 0.252 447 G HA3 0.253 4.214 3.960 0.001 0.000 0.252 447 G C 0.918 175.735 174.900 -0.138 0.000 1.206 447 G CA -0.027 45.061 45.100 -0.020 0.000 0.861 447 G HN 0.869 nan 8.290 nan 0.000 0.561 448 D N 0.238 120.503 120.400 -0.224 0.000 2.178 448 D HA -0.087 4.554 4.640 0.001 0.000 0.202 448 D C 2.115 178.113 176.300 -0.503 0.000 0.974 448 D CA 1.212 54.913 54.000 -0.498 0.000 0.841 448 D CB -0.617 40.009 40.800 -0.288 0.000 0.953 448 D HN 0.474 nan 8.370 nan 0.000 0.478 449 G N 0.532 109.064 108.800 -0.446 0.000 2.396 449 G HA2 -0.176 3.785 3.960 0.001 0.000 0.214 449 G HA3 -0.176 3.785 3.960 0.001 0.000 0.214 449 G C 1.829 176.649 174.900 -0.133 0.000 1.166 449 G CA 0.699 45.285 45.100 -0.857 0.000 0.793 449 G HN 0.299 nan 8.290 nan 0.000 0.533 450 S N -0.135 115.700 115.700 0.226 0.000 2.400 450 S HA -0.113 4.357 4.470 0.001 0.000 0.232 450 S C 2.254 177.069 174.600 0.359 0.000 1.025 450 S CA 0.992 59.463 58.200 0.452 0.000 0.993 450 S CB -0.187 63.178 63.200 0.275 0.000 0.808 450 S HN 0.154 nan 8.310 nan 0.000 0.478 451 V N 1.722 121.712 119.914 0.128 0.000 2.809 451 V HA -0.018 4.103 4.120 0.001 0.000 0.256 451 V C 2.157 178.401 176.094 0.249 0.000 1.080 451 V CA 1.601 63.986 62.300 0.141 0.000 1.102 451 V CB -0.810 30.991 31.823 -0.037 0.000 0.705 451 V HN 0.556 nan 8.190 nan 0.000 0.475 452 G N -1.851 107.064 108.800 0.193 0.000 2.509 452 G HA2 -0.236 3.725 3.960 0.001 0.000 0.218 452 G HA3 -0.236 3.725 3.960 0.001 0.000 0.218 452 G C 1.243 176.231 174.900 0.147 0.000 1.124 452 G CA 0.710 45.917 45.100 0.179 0.000 0.776 452 G HN 0.558 nan 8.290 nan 0.000 0.547 453 Y N 0.727 121.121 120.300 0.157 0.000 2.097 453 Y HA -0.011 4.539 4.550 0.001 0.000 0.282 453 Y C 2.346 178.257 175.900 0.018 0.000 1.152 453 Y CA 1.749 59.907 58.100 0.097 0.000 1.136 453 Y CB 0.094 38.611 38.460 0.095 0.000 0.975 453 Y HN 0.204 nan 8.280 nan 0.000 0.498 454 S N -0.739 115.078 115.700 0.195 0.000 2.422 454 S HA 0.192 4.663 4.470 0.001 0.000 0.226 454 S C 0.859 175.368 174.600 -0.152 0.000 1.242 454 S CA -0.333 57.853 58.200 -0.023 0.000 1.231 454 S CB -0.562 62.582 63.200 -0.093 0.000 1.067 454 S HN 0.281 nan 8.310 nan 0.000 0.462 455 I N 1.738 122.342 120.570 0.058 0.000 2.676 455 I HA 0.113 4.284 4.170 0.001 0.000 0.259 455 I C 2.114 178.269 176.117 0.064 0.000 1.194 455 I CA 1.054 62.470 61.300 0.193 0.000 1.473 455 I CB -0.181 38.046 38.000 0.377 0.000 1.096 455 I HN 0.536 nan 8.210 nan 0.000 0.443 456 G N -0.269 108.474 108.800 -0.095 0.000 2.509 456 G HA2 -0.170 3.791 3.960 0.001 0.000 0.218 456 G HA3 -0.170 3.791 3.960 0.001 0.000 0.218 456 G C 1.367 175.918 174.900 -0.582 0.000 1.124 456 G CA 0.224 45.123 45.100 -0.335 0.000 0.776 456 G HN 0.325 nan 8.290 nan 0.000 0.547 457 E N 0.341 120.146 120.200 -0.658 0.000 2.463 457 E HA -0.046 4.305 4.350 0.001 0.000 0.201 457 E C 1.720 177.935 176.600 -0.642 0.000 1.045 457 E CA 0.146 56.078 56.400 -0.779 0.000 0.872 457 E CB -0.360 28.587 29.700 -1.256 0.000 0.797 457 E HN 0.630 nan 8.360 nan 0.000 0.538 458 F N 0.906 120.589 119.950 -0.445 0.000 2.234 458 F HA -0.171 4.356 4.527 0.001 0.000 0.299 458 F C 2.225 177.868 175.800 -0.262 0.000 1.087 458 F CA 1.068 58.972 58.000 -0.160 0.000 1.340 458 F CB 0.006 39.037 39.000 0.051 0.000 1.031 458 F HN 0.027 nan 8.300 nan 0.000 0.500 459 D N -0.250 119.863 120.400 -0.479 0.000 2.117 459 D HA -0.154 4.486 4.640 0.001 0.000 0.197 459 D C 2.054 178.303 176.300 -0.085 0.000 0.987 459 D CA 1.889 55.734 54.000 -0.259 0.000 0.829 459 D CB -0.186 40.400 40.800 -0.356 0.000 0.961 459 D HN 0.091 nan 8.370 nan 0.000 0.460 460 T N 0.159 114.633 114.554 -0.134 0.000 2.708 460 T HA -0.139 4.211 4.350 0.001 0.000 0.266 460 T C 1.885 176.594 174.700 0.014 0.000 1.037 460 T CA 0.873 62.941 62.100 -0.053 0.000 1.146 460 T CB -0.394 68.424 68.868 -0.084 0.000 0.865 460 T HN 0.066 nan 8.240 nan 0.000 0.435 461 L N 0.762 122.003 121.223 0.030 0.000 2.081 461 L HA -0.083 4.258 4.340 0.001 0.000 0.212 461 L C 2.535 179.481 176.870 0.127 0.000 1.080 461 L CA 1.292 56.200 54.840 0.113 0.000 0.754 461 L CB -0.768 41.408 42.059 0.195 0.000 0.893 461 L HN 0.155 nan 8.230 nan 0.000 0.433 462 V N -1.379 118.612 119.914 0.128 0.000 2.446 462 V HA -0.134 3.987 4.120 0.001 0.000 0.244 462 V C 2.526 178.675 176.094 0.091 0.000 1.039 462 V CA 1.140 63.514 62.300 0.123 0.000 1.045 462 V CB -0.433 31.479 31.823 0.148 0.000 0.681 462 V HN 0.355 nan 8.190 nan 0.000 0.459 463 R N 0.320 120.865 120.500 0.075 0.000 2.075 463 R HA -0.070 4.270 4.340 0.001 0.000 0.232 463 R C 2.044 178.380 176.300 0.059 0.000 1.126 463 R CA 0.965 57.101 56.100 0.061 0.000 0.963 463 R CB -0.193 30.137 30.300 0.049 0.000 0.858 463 R HN 0.301 nan 8.270 nan 0.000 0.435 464 K N 0.668 121.106 120.400 0.062 0.000 2.444 464 K HA 0.037 4.358 4.320 0.001 0.000 0.193 464 K C 0.048 176.691 176.600 0.071 0.000 1.024 464 K CA 0.216 56.541 56.287 0.064 0.000 1.077 464 K CB 0.274 32.814 32.500 0.067 0.000 0.833 464 K HN 0.233 nan 8.250 nan 0.000 0.517 465 Q N 0.551 120.397 119.800 0.077 0.000 2.453 465 Q HA -0.175 4.166 4.340 0.001 0.000 0.330 465 Q C -1.040 175.013 176.000 0.088 0.000 1.417 465 Q CA 0.273 56.126 55.803 0.082 0.000 0.902 465 Q CB -1.747 27.033 28.738 0.070 0.000 1.154 465 Q HN 0.245 nan 8.270 nan 0.000 0.395 466 L N 1.817 123.100 121.223 0.101 0.000 2.277 466 L HA 0.325 4.666 4.340 0.001 0.000 0.284 466 L C -1.561 175.379 176.870 0.116 0.000 1.028 466 L CA -1.872 53.030 54.840 0.104 0.000 0.835 466 L CB 0.799 42.924 42.059 0.109 0.000 1.215 466 L HN -0.015 nan 8.230 nan 0.000 0.425 467 P HA 0.016 nan 4.420 nan 0.000 0.238 467 P C -0.291 177.073 177.300 0.107 0.000 1.714 467 P CA -0.296 62.871 63.100 0.113 0.000 0.908 467 P CB 0.043 31.802 31.700 0.098 0.000 1.893 468 L N 1.105 122.397 121.223 0.115 0.000 2.380 468 L HA 0.262 4.603 4.340 0.001 0.000 0.273 468 L C -0.099 176.834 176.870 0.105 0.000 1.138 468 L CA -0.220 54.674 54.840 0.090 0.000 0.832 468 L CB 0.189 42.297 42.059 0.081 0.000 1.124 468 L HN -0.007 nan 8.230 nan 0.000 0.454 469 I N 5.835 126.445 120.570 0.068 0.000 2.304 469 I HA 0.211 4.382 4.170 0.001 0.000 0.291 469 I C -0.554 175.583 176.117 0.034 0.000 1.018 469 I CA -0.596 60.752 61.300 0.080 0.000 1.260 469 I CB 1.308 39.340 38.000 0.055 0.000 1.390 469 I HN 0.300 nan 8.210 nan 0.000 0.475 470 V N 8.186 128.144 119.914 0.074 0.000 2.270 470 V HA 0.297 4.418 4.120 0.001 0.000 0.263 470 V C 0.429 176.552 176.094 0.048 0.000 1.066 470 V CA -0.345 61.943 62.300 -0.021 0.000 0.857 470 V CB 0.141 31.949 31.823 -0.025 0.000 1.099 470 V HN 0.497 nan 8.190 nan 0.000 0.476 471 I N 5.432 126.012 120.570 0.016 0.000 2.416 471 I HA 0.310 4.481 4.170 0.001 0.000 0.288 471 I C -0.106 175.995 176.117 -0.026 0.000 1.051 471 I CA 0.118 61.441 61.300 0.038 0.000 1.375 471 I CB 0.943 38.994 38.000 0.085 0.000 1.407 471 I HN 0.410 nan 8.210 nan 0.000 0.516 472 I N 6.999 127.540 120.570 -0.050 0.000 2.354 472 I HA 0.237 4.408 4.170 0.001 0.000 0.286 472 I C -0.135 175.895 176.117 -0.146 0.000 1.007 472 I CA -0.573 60.663 61.300 -0.106 0.000 1.167 472 I CB 1.487 39.412 38.000 -0.124 0.000 1.320 472 I HN 0.534 nan 8.210 nan 0.000 0.458 473 M N 6.447 125.972 119.600 -0.124 0.000 2.455 473 M HA 0.137 4.618 4.480 0.001 0.000 0.331 473 M C -0.134 176.097 176.300 -0.115 0.000 1.481 473 M CA 0.221 55.442 55.300 -0.132 0.000 1.362 473 M CB -0.393 32.165 32.600 -0.069 0.000 1.564 473 M HN 0.362 nan 8.290 nan 0.000 0.458 474 N N 2.955 121.582 118.700 -0.121 0.000 2.485 474 N HA 0.214 4.954 4.740 0.001 0.000 0.243 474 N C -0.772 174.729 175.510 -0.015 0.000 0.987 474 N CA -0.373 52.647 53.050 -0.049 0.000 0.940 474 N CB 0.437 38.944 38.487 0.034 0.000 1.122 474 N HN 0.569 nan 8.380 nan 0.000 0.509 475 N N 2.492 121.191 118.700 -0.001 0.000 2.338 475 N HA 0.072 4.812 4.740 0.001 0.000 0.251 475 N C -0.531 175.001 175.510 0.037 0.000 1.199 475 N CA -0.264 52.796 53.050 0.016 0.000 0.879 475 N CB 0.011 38.506 38.487 0.014 0.000 1.159 475 N HN 0.521 nan 8.380 nan 0.000 0.514 476 Q N -0.615 119.220 119.800 0.059 0.000 2.436 476 Q HA -0.229 4.112 4.340 0.001 0.000 0.264 476 Q C -0.942 175.064 176.000 0.011 0.000 1.093 476 Q CA 1.205 57.041 55.803 0.055 0.000 0.994 476 Q CB -2.025 26.741 28.738 0.047 0.000 1.434 476 Q HN 0.812 nan 8.270 nan 0.000 0.520 477 S N -2.695 112.992 115.700 -0.022 0.000 2.567 477 S HA 0.528 4.999 4.470 0.001 0.000 0.270 477 S C -1.024 173.546 174.600 -0.052 0.000 1.152 477 S CA -1.160 57.026 58.200 -0.023 0.000 0.835 477 S CB 0.591 63.837 63.200 0.077 0.000 1.115 477 S HN 0.330 nan 8.310 nan 0.000 0.459 478 W N 1.669 123.023 121.300 0.090 0.000 2.529 478 W HA 0.461 5.122 4.660 0.001 0.000 0.319 478 W C 1.451 178.017 176.519 0.078 0.000 1.362 478 W CA 0.086 57.480 57.345 0.082 0.000 1.348 478 W CB 0.520 30.028 29.460 0.081 0.000 1.403 478 W HN 1.077 nan 8.180 nan 0.000 0.519 479 G N 1.916 110.881 108.800 0.275 0.000 2.456 479 G HA2 -0.127 3.834 3.960 0.001 0.000 0.213 479 G HA3 -0.127 3.834 3.960 0.001 0.000 0.213 479 G C 1.569 176.535 174.900 0.110 0.000 1.215 479 G CA 0.829 46.019 45.100 0.150 0.000 0.805 479 G HN 0.586 nan 8.290 nan 0.000 0.537 480 A N 0.583 123.441 122.820 0.064 0.000 2.015 480 A HA 0.055 4.376 4.320 0.001 0.000 0.219 480 A C 2.481 180.170 177.584 0.176 0.000 1.163 480 A CA 2.433 54.495 52.037 0.043 0.000 0.646 480 A CB -0.744 18.246 19.000 -0.017 0.000 0.806 480 A HN 0.480 nan 8.150 nan 0.000 0.448 481 T N -2.461 112.196 114.554 0.171 0.000 3.081 481 T HA 0.177 4.527 4.350 0.001 0.000 0.255 481 T C 1.654 176.495 174.700 0.236 0.000 1.113 481 T CA 0.831 63.027 62.100 0.160 0.000 1.082 481 T CB -0.116 68.771 68.868 0.033 0.000 0.939 481 T HN 0.268 nan 8.240 nan 0.000 0.506 482 L N -0.331 121.051 121.223 0.265 0.000 2.127 482 L HA 0.148 4.489 4.340 0.001 0.000 0.203 482 L C 2.660 179.686 176.870 0.260 0.000 1.080 482 L CA 1.088 56.077 54.840 0.248 0.000 0.768 482 L CB -0.247 41.953 42.059 0.236 0.000 0.924 482 L HN 0.138 nan 8.230 nan 0.000 0.444 483 H N -0.751 118.405 119.070 0.143 0.000 2.265 483 H HA -0.310 4.247 4.556 0.002 0.000 0.293 483 H C 1.826 177.228 175.328 0.124 0.000 1.089 483 H CA 2.826 58.944 56.048 0.117 0.000 1.244 483 H CB -0.540 29.288 29.762 0.110 0.000 1.355 483 H HN 0.437 nan 8.280 nan 0.000 0.485 484 F N 1.224 121.268 119.950 0.156 0.000 2.126 484 F HA -0.236 4.292 4.527 0.002 0.000 0.299 484 F C 2.407 178.235 175.800 0.048 0.000 1.096 484 F CA 1.566 59.613 58.000 0.078 0.000 1.255 484 F CB -0.217 38.821 39.000 0.062 0.000 0.997 484 F HN 0.194 nan 8.300 nan 0.000 0.479 485 Q N -0.327 119.606 119.800 0.223 0.000 2.170 485 Q HA -0.238 4.103 4.340 0.001 0.000 0.203 485 Q C 2.128 178.121 176.000 -0.012 0.000 0.976 485 Q CA 1.843 57.712 55.803 0.112 0.000 0.858 485 Q CB -0.161 28.670 28.738 0.154 0.000 0.907 485 Q HN 0.630 nan 8.270 nan 0.000 0.433 486 Q N -0.315 119.472 119.800 -0.022 0.000 2.033 486 Q HA -0.095 4.245 4.340 0.001 0.000 0.196 486 Q C 1.776 177.704 176.000 -0.121 0.000 0.970 486 Q CA 0.763 56.528 55.803 -0.063 0.000 0.828 486 Q CB 0.107 28.802 28.738 -0.071 0.000 0.895 486 Q HN 0.213 nan 8.270 nan 0.000 0.440 487 L N -0.293 120.830 121.223 -0.167 0.000 2.313 487 L HA 0.025 4.366 4.340 0.001 0.000 0.214 487 L C 1.724 178.445 176.870 -0.249 0.000 1.119 487 L CA 1.360 56.088 54.840 -0.186 0.000 0.809 487 L CB -0.479 41.482 42.059 -0.163 0.000 0.933 487 L HN 0.177 nan 8.230 nan 0.000 0.449 488 A N -2.637 119.940 122.820 -0.405 0.000 2.358 488 A HA 0.382 4.703 4.320 0.001 0.000 0.223 488 A C 1.600 179.004 177.584 -0.300 0.000 1.218 488 A CA 0.462 52.215 52.037 -0.472 0.000 0.942 488 A CB 0.319 18.701 19.000 -1.030 0.000 1.005 488 A HN 0.084 nan 8.150 nan 0.000 0.514 489 V N -1.331 118.451 119.914 -0.219 0.000 3.671 489 V HA 0.588 4.708 4.120 0.001 0.000 0.202 489 V C 1.015 177.066 176.094 -0.072 0.000 1.188 489 V CA 0.587 62.824 62.300 -0.106 0.000 1.325 489 V CB -0.049 31.743 31.823 -0.052 0.000 1.470 489 V HN 0.651 nan 8.190 nan 0.000 0.520 490 G N -0.599 108.165 108.800 -0.059 0.000 2.616 490 G HA2 0.472 4.432 3.960 0.001 0.000 0.294 490 G HA3 0.472 4.432 3.960 0.001 0.000 0.294 490 G C -2.984 171.898 174.900 -0.030 0.000 1.489 490 G CA -0.329 44.747 45.100 -0.041 0.000 0.836 490 G HN 0.071 nan 8.290 nan 0.000 0.527 491 P HA -0.006 nan 4.420 nan 0.000 0.226 491 P C 0.974 178.274 177.300 -0.001 0.000 1.153 491 P CA 1.052 64.141 63.100 -0.018 0.000 0.777 491 P CB 0.094 31.782 31.700 -0.020 0.000 0.794 492 N N -1.896 116.805 118.700 0.001 0.000 2.234 492 N HA 0.087 4.827 4.740 0.001 0.000 0.227 492 N C 0.729 176.248 175.510 0.016 0.000 1.151 492 N CA -0.263 52.793 53.050 0.010 0.000 0.865 492 N CB 0.002 38.494 38.487 0.007 0.000 1.066 492 N HN -0.115 nan 8.380 nan 0.000 0.515 493 R N 0.788 121.299 120.500 0.018 0.000 2.652 493 R HA 0.182 4.523 4.340 0.001 0.000 0.372 493 R C -0.356 175.970 176.300 0.044 0.000 1.104 493 R CA -0.195 55.920 56.100 0.025 0.000 1.072 493 R CB 0.758 31.067 30.300 0.014 0.000 1.367 493 R HN 0.228 nan 8.270 nan 0.000 0.577 494 V N -0.506 119.439 119.914 0.051 0.000 2.385 494 V HA 0.559 4.680 4.120 0.001 0.000 0.269 494 V C -0.016 176.123 176.094 0.076 0.000 1.043 494 V CA -0.419 61.926 62.300 0.074 0.000 0.906 494 V CB 1.072 32.944 31.823 0.083 0.000 0.995 494 V HN 0.224 nan 8.190 nan 0.000 0.467 495 T N 0.735 115.340 114.554 0.085 0.000 2.916 495 T HA 0.734 5.085 4.350 0.001 0.000 0.298 495 T C 0.575 175.336 174.700 0.101 0.000 1.031 495 T CA -0.072 62.078 62.100 0.082 0.000 0.993 495 T CB 1.209 70.115 68.868 0.063 0.000 1.045 495 T HN 2.266 nan 8.240 nan 0.000 0.454 496 G N 1.849 110.719 108.800 0.115 0.000 2.204 496 G HA2 -0.181 3.779 3.960 0.001 0.000 0.244 496 G HA3 -0.181 3.779 3.960 0.001 0.000 0.244 496 G C 0.373 175.418 174.900 0.243 0.000 1.062 496 G CA 0.652 45.840 45.100 0.147 0.000 0.798 496 G HN 1.738 nan 8.290 nan 0.000 0.496 497 T N -3.417 111.294 114.554 0.261 0.000 3.130 497 T HA 0.331 4.682 4.350 0.001 0.000 0.288 497 T C 0.696 175.535 174.700 0.232 0.000 0.936 497 T CA -0.437 61.893 62.100 0.384 0.000 0.897 497 T CB 0.539 69.592 68.868 0.310 0.000 1.178 497 T HN 0.288 nan 8.240 nan 0.000 0.543 498 R N 1.970 122.560 120.500 0.151 0.000 2.351 498 R HA 0.360 4.701 4.340 0.001 0.000 0.318 498 R C 0.086 176.402 176.300 0.027 0.000 1.055 498 R CA -0.250 55.896 56.100 0.077 0.000 0.968 498 R CB 0.005 30.344 30.300 0.065 0.000 0.974 498 R HN 0.446 nan 8.270 nan 0.000 0.439 499 L N 2.361 123.566 121.223 -0.030 0.000 3.289 499 L HA 0.226 4.567 4.340 0.001 0.000 0.291 499 L C 0.005 176.855 176.870 -0.033 0.000 1.279 499 L CA -0.018 54.774 54.840 -0.080 0.000 1.025 499 L CB 0.364 42.279 42.059 -0.239 0.000 1.413 499 L HN 0.429 nan 8.230 nan 0.000 0.593 500 E N 2.004 122.195 120.200 -0.015 0.000 1.896 500 E HA 0.113 4.464 4.350 0.001 0.000 0.276 500 E C -0.379 176.195 176.600 -0.043 0.000 1.171 500 E CA 0.017 56.409 56.400 -0.013 0.000 1.118 500 E CB -0.292 29.407 29.700 -0.000 0.000 1.077 500 E HN 0.282 nan 8.360 nan 0.000 0.452 501 N N 0.392 119.039 118.700 -0.088 0.000 3.521 501 N HA 0.354 5.095 4.740 0.001 0.000 0.228 501 N C -1.391 173.951 175.510 -0.280 0.000 1.328 501 N CA 0.374 53.344 53.050 -0.134 0.000 0.907 501 N CB 1.498 39.928 38.487 -0.095 0.000 1.487 501 N HN 0.292 nan 8.380 nan 0.000 0.503 502 G N 1.011 109.648 108.800 -0.272 0.000 3.396 502 G HA2 -0.054 3.907 3.960 0.001 0.000 0.682 502 G HA3 -0.054 3.907 3.960 0.001 0.000 0.682 502 G C -0.311 174.300 174.900 -0.481 0.000 0.924 502 G CA -0.101 44.770 45.100 -0.383 0.000 0.770 502 G HN 1.412 nan 8.290 nan 0.000 0.484 503 S N 3.069 118.606 115.700 -0.272 0.000 2.498 503 S HA 0.385 4.856 4.470 0.001 0.000 0.314 503 S C 1.252 175.766 174.600 -0.143 0.000 1.141 503 S CA -0.139 57.982 58.200 -0.132 0.000 1.087 503 S CB 0.249 63.328 63.200 -0.201 0.000 1.178 503 S HN 0.597 nan 8.310 nan 0.000 0.533 504 Y N 2.325 122.708 120.300 0.139 0.000 2.256 504 Y HA -0.240 4.310 4.550 0.001 0.000 0.288 504 Y C 2.794 178.735 175.900 0.069 0.000 1.155 504 Y CA 1.964 60.131 58.100 0.110 0.000 1.203 504 Y CB -0.809 37.738 38.460 0.145 0.000 0.980 504 Y HN 0.895 nan 8.280 nan 0.000 0.530 505 H N -1.965 117.209 119.070 0.174 0.000 2.491 505 H HA 0.047 4.604 4.556 0.001 0.000 0.290 505 H C 2.204 177.516 175.328 -0.028 0.000 1.050 505 H CA 1.179 57.264 56.048 0.060 0.000 1.309 505 H CB -0.831 29.001 29.762 0.116 0.000 1.392 505 H HN 0.363 nan 8.280 nan 0.000 0.554 506 G N 1.219 109.683 108.800 -0.561 0.000 2.394 506 G HA2 -0.121 3.839 3.960 0.001 0.000 0.215 506 G HA3 -0.121 3.839 3.960 0.001 0.000 0.215 506 G C 1.831 176.587 174.900 -0.240 0.000 1.165 506 G CA 1.217 46.061 45.100 -0.426 0.000 0.784 506 G HN 0.369 nan 8.290 nan 0.000 0.535 507 V N 1.620 121.436 119.914 -0.164 0.000 2.343 507 V HA -0.095 4.026 4.120 0.001 0.000 0.247 507 V C 3.272 179.311 176.094 -0.091 0.000 1.051 507 V CA 1.922 64.165 62.300 -0.096 0.000 1.036 507 V CB -1.048 30.816 31.823 0.069 0.000 0.654 507 V HN 0.430 nan 8.190 nan 0.000 0.451 508 A N 0.274 122.949 122.820 -0.242 0.000 1.930 508 A HA -0.016 4.305 4.320 0.001 0.000 0.217 508 A C 2.413 179.829 177.584 -0.281 0.000 1.175 508 A CA 1.928 53.590 52.037 -0.626 0.000 0.627 508 A CB -0.757 17.535 19.000 -1.179 0.000 0.815 508 A HN 0.583 nan 8.150 nan 0.000 0.443 509 A N -0.231 122.465 122.820 -0.208 0.000 1.969 509 A HA 0.224 4.545 4.320 0.001 0.000 0.218 509 A C 2.395 179.912 177.584 -0.111 0.000 1.169 509 A CA 1.768 53.720 52.037 -0.141 0.000 0.635 509 A CB -0.795 18.118 19.000 -0.145 0.000 0.810 509 A HN 1.014 nan 8.150 nan 0.000 0.445 510 A N -1.639 121.087 122.820 -0.157 0.000 2.067 510 A HA 0.115 4.436 4.320 0.001 0.000 0.219 510 A C 1.572 179.021 177.584 -0.224 0.000 1.158 510 A CA 0.968 52.879 52.037 -0.211 0.000 0.661 510 A CB -0.579 18.241 19.000 -0.299 0.000 0.801 510 A HN 0.433 nan 8.150 nan 0.000 0.452 511 F N -0.570 119.360 119.950 -0.034 0.000 2.797 511 F HA 0.326 4.853 4.527 0.001 0.000 0.302 511 F C 1.764 177.582 175.800 0.031 0.000 1.130 511 F CA 0.451 58.468 58.000 0.028 0.000 1.387 511 F CB 0.049 39.115 39.000 0.110 0.000 1.107 511 F HN 0.350 nan 8.300 nan 0.000 0.577 512 G N 0.198 109.076 108.800 0.129 0.000 2.140 512 G HA2 0.025 3.986 3.960 0.001 0.000 0.211 512 G HA3 0.025 3.986 3.960 0.001 0.000 0.211 512 G C 0.066 175.014 174.900 0.081 0.000 1.013 512 G CA -0.140 45.010 45.100 0.084 0.000 0.705 512 G HN 0.635 nan 8.290 nan 0.000 0.508 513 A N -0.523 122.337 122.820 0.066 0.000 2.322 513 A HA 0.741 5.062 4.320 0.001 0.000 0.327 513 A C -0.135 177.435 177.584 -0.025 0.000 1.134 513 A CA -0.441 51.635 52.037 0.065 0.000 0.831 513 A CB 0.873 19.962 19.000 0.150 0.000 1.288 513 A HN 0.141 nan 8.150 nan 0.000 0.472 514 D N 0.680 121.073 120.400 -0.012 0.000 2.450 514 D HA 0.409 5.050 4.640 0.001 0.000 0.247 514 D C 0.343 176.486 176.300 -0.261 0.000 1.162 514 D CA 1.325 55.234 54.000 -0.151 0.000 0.879 514 D CB 0.852 41.656 40.800 0.007 0.000 1.163 514 D HN 0.696 nan 8.370 nan 0.000 0.472 515 G N 1.924 110.464 108.800 -0.434 0.000 2.487 515 G HA2 0.513 4.474 3.960 0.001 0.000 0.314 515 G HA3 0.513 4.474 3.960 0.001 0.000 0.314 515 G C -1.383 173.300 174.900 -0.362 0.000 1.267 515 G CA -0.518 44.426 45.100 -0.260 0.000 0.937 515 G HN 0.279 nan 8.290 nan 0.000 0.481 516 Y N 0.277 120.666 120.300 0.148 0.000 2.442 516 Y HA 0.460 5.011 4.550 0.001 0.000 0.344 516 Y C -0.132 175.748 175.900 -0.034 0.000 0.976 516 Y CA -1.021 57.132 58.100 0.087 0.000 1.040 516 Y CB 2.497 41.001 38.460 0.073 0.000 1.228 516 Y HN 0.720 nan 8.280 nan 0.000 0.451 517 H N 2.551 121.536 119.070 -0.141 0.000 2.505 517 H HA 0.783 5.340 4.556 0.001 0.000 0.338 517 H C -1.170 174.091 175.328 -0.111 0.000 1.057 517 H CA -0.779 55.069 56.048 -0.334 0.000 1.202 517 H CB 1.106 30.357 29.762 -0.851 0.000 1.466 517 H HN 0.553 nan 8.280 nan 0.000 0.499 518 V N 1.768 121.624 119.914 -0.097 0.000 3.130 518 V HA 0.484 4.605 4.120 0.001 0.000 0.310 518 V C -0.632 175.422 176.094 -0.065 0.000 1.158 518 V CA -0.477 61.830 62.300 0.012 0.000 1.029 518 V CB 2.205 34.067 31.823 0.066 0.000 1.057 518 V HN 0.967 nan 8.190 nan 0.000 0.436 519 D N 0.195 120.596 120.400 0.002 0.000 2.559 519 D HA 0.235 4.876 4.640 0.001 0.000 0.296 519 D C 0.922 177.210 176.300 -0.019 0.000 1.118 519 D CA 0.680 54.664 54.000 -0.026 0.000 0.967 519 D CB 0.334 41.154 40.800 0.033 0.000 1.607 519 D HN 0.709 nan 8.370 nan 0.000 0.493 520 S N -0.233 115.489 115.700 0.037 0.000 2.608 520 S HA 0.390 4.860 4.470 0.001 0.000 0.291 520 S C 1.391 176.069 174.600 0.129 0.000 1.146 520 S CA -0.654 57.583 58.200 0.061 0.000 1.043 520 S CB 1.492 64.721 63.200 0.048 0.000 1.037 520 S HN 0.036 nan 8.310 nan 0.000 0.520 521 V N 3.485 123.488 119.914 0.148 0.000 2.428 521 V HA -0.220 3.901 4.120 0.001 0.000 0.255 521 V C 2.387 178.547 176.094 0.109 0.000 1.080 521 V CA 2.620 65.026 62.300 0.176 0.000 1.083 521 V CB -1.071 30.841 31.823 0.149 0.000 0.665 521 V HN 0.969 nan 8.190 nan 0.000 0.461 522 E N -0.201 120.046 120.200 0.079 0.000 2.028 522 E HA -0.195 4.155 4.350 0.001 0.000 0.191 522 E C 2.459 179.087 176.600 0.045 0.000 0.988 522 E CA 1.358 57.785 56.400 0.046 0.000 0.799 522 E CB -0.271 29.450 29.700 0.036 0.000 0.755 522 E HN 0.475 nan 8.360 nan 0.000 0.447 523 S N -0.763 114.979 115.700 0.070 0.000 2.368 523 S HA -0.143 4.328 4.470 0.001 0.000 0.225 523 S C 1.569 176.232 174.600 0.106 0.000 1.030 523 S CA 1.055 59.298 58.200 0.072 0.000 0.999 523 S CB -0.455 62.791 63.200 0.076 0.000 0.844 523 S HN 0.400 nan 8.310 nan 0.000 0.459 524 F N 3.011 122.931 119.950 -0.050 0.000 2.022 524 F HA -0.051 4.477 4.527 0.001 0.000 0.293 524 F C 2.676 178.416 175.800 -0.099 0.000 1.142 524 F CA 2.024 59.979 58.000 -0.075 0.000 1.177 524 F CB -1.382 37.583 39.000 -0.058 0.000 0.982 524 F HN 0.313 nan 8.300 nan 0.000 0.473 525 S N 0.470 116.005 115.700 -0.276 0.000 2.537 525 S HA 0.001 4.472 4.470 0.001 0.000 0.240 525 S C 1.989 176.447 174.600 -0.236 0.000 0.981 525 S CA 0.628 58.599 58.200 -0.381 0.000 0.948 525 S CB -0.993 62.082 63.200 -0.208 0.000 0.759 525 S HN 0.481 nan 8.310 nan 0.000 0.531 526 A N 1.812 124.538 122.820 -0.157 0.000 1.878 526 A HA 0.580 4.901 4.320 0.001 0.000 0.213 526 A C 2.492 179.934 177.584 -0.237 0.000 1.192 526 A CA 0.957 52.906 52.037 -0.147 0.000 0.619 526 A CB -1.340 17.612 19.000 -0.080 0.000 0.837 526 A HN 0.739 nan 8.150 nan 0.000 0.446 527 A N -0.385 122.286 122.820 -0.247 0.000 1.933 527 A HA -0.038 4.283 4.320 0.001 0.000 0.218 527 A C 2.125 179.428 177.584 -0.469 0.000 1.175 527 A CA 1.751 53.515 52.037 -0.455 0.000 0.628 527 A CB -0.591 18.256 19.000 -0.256 0.000 0.814 527 A HN 0.541 nan 8.150 nan 0.000 0.444 528 L N -0.309 120.692 121.223 -0.371 0.000 1.988 528 L HA -0.024 4.317 4.340 0.001 0.000 0.207 528 L C 2.803 179.430 176.870 -0.407 0.000 1.071 528 L CA 2.190 56.776 54.840 -0.422 0.000 0.744 528 L CB -0.885 40.773 42.059 -0.669 0.000 0.893 528 L HN 0.345 nan 8.230 nan 0.000 0.433 529 A N -1.223 121.377 122.820 -0.367 0.000 1.927 529 A HA -0.319 4.002 4.320 0.001 0.000 0.220 529 A C 2.215 179.648 177.584 -0.251 0.000 1.185 529 A CA 2.223 54.120 52.037 -0.233 0.000 0.639 529 A CB -0.673 18.249 19.000 -0.130 0.000 0.820 529 A HN 0.687 nan 8.150 nan 0.000 0.451 530 Q N -1.174 118.433 119.800 -0.323 0.000 1.965 530 Q HA -0.083 4.258 4.340 0.001 0.000 0.200 530 Q C 2.529 178.250 176.000 -0.465 0.000 0.981 530 Q CA 1.312 56.856 55.803 -0.431 0.000 0.834 530 Q CB -0.396 28.099 28.738 -0.405 0.000 0.900 530 Q HN 0.667 nan 8.270 nan 0.000 0.426 531 A N 0.960 123.611 122.820 -0.282 0.000 2.032 531 A HA -0.191 4.129 4.320 0.001 0.000 0.221 531 A C 1.981 179.554 177.584 -0.017 0.000 1.165 531 A CA 1.072 53.108 52.037 -0.002 0.000 0.645 531 A CB -0.498 18.547 19.000 0.076 0.000 0.807 531 A HN 0.254 nan 8.150 nan 0.000 0.453 532 L N -0.941 120.213 121.223 -0.115 0.000 1.988 532 L HA -0.127 4.213 4.340 0.001 0.000 0.207 532 L C 3.070 179.910 176.870 -0.049 0.000 1.071 532 L CA 2.094 56.891 54.840 -0.072 0.000 0.744 532 L CB -1.726 40.274 42.059 -0.099 0.000 0.893 532 L HN 0.447 nan 8.230 nan 0.000 0.433 533 A N -1.227 121.518 122.820 -0.125 0.000 1.978 533 A HA -0.177 4.143 4.320 0.001 0.000 0.220 533 A C 0.752 178.348 177.584 0.020 0.000 1.170 533 A CA 0.897 52.881 52.037 -0.089 0.000 0.636 533 A CB -0.828 18.078 19.000 -0.157 0.000 0.810 533 A HN 0.483 nan 8.150 nan 0.000 0.448 534 H N 0.136 119.235 119.070 0.048 0.000 2.864 534 H HA 0.161 4.718 4.556 0.001 0.000 0.281 534 H C -0.221 175.148 175.328 0.068 0.000 1.093 534 H CA -0.667 55.423 56.048 0.069 0.000 1.453 534 H CB 0.036 29.861 29.762 0.105 0.000 1.462 534 H HN 0.319 nan 8.280 nan 0.000 0.480 535 N N 3.692 122.501 118.700 0.180 0.000 3.050 535 N HA 0.028 4.769 4.740 0.001 0.000 0.289 535 N C -0.211 175.372 175.510 0.122 0.000 1.209 535 N CA -0.222 52.902 53.050 0.124 0.000 1.154 535 N CB -0.061 38.481 38.487 0.092 0.000 1.444 535 N HN 0.592 nan 8.380 nan 0.000 0.529 536 R N 0.840 121.428 120.500 0.146 0.000 2.680 536 R HA 0.500 4.840 4.340 0.001 0.000 0.269 536 R C -2.964 173.433 176.300 0.162 0.000 1.026 536 R CA -1.532 54.650 56.100 0.138 0.000 0.889 536 R CB 1.420 31.792 30.300 0.120 0.000 1.241 536 R HN 0.051 nan 8.270 nan 0.000 0.463 537 P HA 0.150 nan 4.420 nan 0.000 0.265 537 P C -1.351 176.090 177.300 0.235 0.000 1.193 537 P CA 0.053 63.282 63.100 0.215 0.000 0.765 537 P CB 1.195 33.046 31.700 0.252 0.000 0.823 538 A N 2.607 125.587 122.820 0.267 0.000 2.520 538 A HA 0.540 4.860 4.320 0.001 0.000 0.298 538 A C -1.155 176.606 177.584 0.295 0.000 1.051 538 A CA -0.569 51.626 52.037 0.264 0.000 0.690 538 A CB 1.415 20.604 19.000 0.315 0.000 1.281 538 A HN 0.647 nan 8.150 nan 0.000 0.402 539 C N 3.126 122.564 119.300 0.229 0.000 2.319 539 C HA 0.783 5.244 4.460 0.001 0.000 0.323 539 C C -0.679 174.460 174.990 0.248 0.000 1.277 539 C CA -0.548 58.605 59.018 0.225 0.000 1.517 539 C CB -1.199 26.573 27.740 0.053 0.000 2.206 539 C HN 0.608 nan 8.230 nan 0.000 0.486 540 I N 6.660 127.364 120.570 0.223 0.000 2.412 540 I HA 0.243 4.414 4.170 0.001 0.000 0.279 540 I C 0.092 176.240 176.117 0.052 0.000 1.063 540 I CA -0.031 61.388 61.300 0.198 0.000 1.193 540 I CB 0.160 38.290 38.000 0.217 0.000 1.370 540 I HN 0.662 nan 8.210 nan 0.000 0.479 541 N N 5.441 124.141 118.700 -0.001 0.000 2.475 541 N HA 0.170 4.911 4.740 0.001 0.000 0.267 541 N C -0.965 174.249 175.510 -0.494 0.000 1.169 541 N CA 0.171 53.117 53.050 -0.173 0.000 0.947 541 N CB 1.316 39.756 38.487 -0.079 0.000 1.061 541 N HN 0.218 nan 8.380 nan 0.000 0.466 542 V N 2.610 122.254 119.914 -0.451 0.000 2.380 542 V HA 0.425 4.546 4.120 0.001 0.000 0.286 542 V C 0.164 176.037 176.094 -0.368 0.000 1.015 542 V CA -1.316 60.675 62.300 -0.515 0.000 0.834 542 V CB 0.970 32.402 31.823 -0.652 0.000 1.009 542 V HN 0.769 nan 8.190 nan 0.000 0.428 543 A N 5.058 127.699 122.820 -0.299 0.000 2.491 543 A HA 0.636 4.956 4.320 0.001 0.000 0.261 543 A C -0.238 177.287 177.584 -0.098 0.000 1.101 543 A CA 0.121 52.119 52.037 -0.065 0.000 0.772 543 A CB 0.246 19.331 19.000 0.142 0.000 1.043 543 A HN 0.749 nan 8.150 nan 0.000 0.501 544 V N 1.898 121.763 119.914 -0.082 0.000 2.925 544 V HA 0.629 4.750 4.120 0.001 0.000 0.311 544 V C 0.637 176.690 176.094 -0.068 0.000 1.104 544 V CA -0.473 61.763 62.300 -0.107 0.000 0.954 544 V CB 1.866 33.594 31.823 -0.158 0.000 1.022 544 V HN 1.282 nan 8.190 nan 0.000 0.427 545 A N 2.279 125.050 122.820 -0.082 0.000 2.540 545 A HA 0.358 4.679 4.320 0.001 0.000 0.239 545 A C 0.600 178.162 177.584 -0.037 0.000 1.061 545 A CA 0.470 52.476 52.037 -0.051 0.000 0.758 545 A CB 0.084 19.044 19.000 -0.065 0.000 0.991 545 A HN 1.132 nan 8.150 nan 0.000 0.502 546 L N 1.165 122.405 121.223 0.028 0.000 2.470 546 L HA 0.212 4.553 4.340 0.001 0.000 0.219 546 L C 1.287 178.261 176.870 0.172 0.000 1.071 546 L CA 1.751 56.642 54.840 0.085 0.000 0.850 546 L CB -0.358 41.757 42.059 0.093 0.000 1.040 546 L HN 0.704 nan 8.230 nan 0.000 0.475 547 D N 0.722 121.206 120.400 0.140 0.000 2.117 547 D HA -0.083 4.558 4.640 0.001 0.000 0.197 547 D C -1.525 174.922 176.300 0.245 0.000 0.987 547 D CA 0.759 54.859 54.000 0.165 0.000 0.829 547 D CB -1.904 38.954 40.800 0.096 0.000 0.961 547 D HN 0.346 nan 8.370 nan 0.000 0.460 548 P HA 0.049 nan 4.420 nan 0.000 0.264 548 P C -0.273 177.334 177.300 0.512 0.000 1.193 548 P CA 0.243 63.524 63.100 0.302 0.000 0.763 548 P CB 0.454 32.179 31.700 0.041 0.000 0.810 549 I N 6.330 127.159 120.570 0.432 0.000 2.396 549 I HA 0.163 4.334 4.170 0.001 0.000 0.289 549 I C -1.702 174.446 176.117 0.052 0.000 1.056 549 I CA -2.104 59.399 61.300 0.339 0.000 1.365 549 I CB 0.782 38.897 38.000 0.192 0.000 1.407 549 I HN 0.196 nan 8.210 nan 0.000 0.509 550 P HA 0.151 nan 4.420 nan 0.000 0.276 550 P C -2.160 174.817 177.300 -0.539 0.000 1.235 550 P CA -1.593 60.769 63.100 -1.231 0.000 0.772 550 P CB 0.394 31.158 31.700 -1.559 0.000 0.871 551 P HA -0.142 nan 4.420 nan 0.000 0.221 551 P C 0.852 178.042 177.300 -0.184 0.000 1.145 551 P CA 1.223 64.200 63.100 -0.206 0.000 0.795 551 P CB 0.122 31.735 31.700 -0.145 0.000 0.775 552 E N -0.032 120.046 120.200 -0.204 0.000 2.405 552 E HA -0.086 4.265 4.350 0.001 0.000 0.194 552 E C 1.019 177.549 176.600 -0.116 0.000 1.149 552 E CA 0.469 56.787 56.400 -0.137 0.000 0.933 552 E CB -0.212 29.429 29.700 -0.098 0.000 1.028 552 E HN 0.482 nan 8.360 nan 0.000 0.487 553 E N -0.589 119.539 120.200 -0.120 0.000 2.601 553 E HA 0.113 4.464 4.350 0.001 0.000 0.219 553 E C 1.595 178.158 176.600 -0.061 0.000 0.964 553 E CA -0.166 56.192 56.400 -0.070 0.000 1.050 553 E CB 0.405 30.075 29.700 -0.050 0.000 1.068 553 E HN 0.118 nan 8.360 nan 0.000 0.496 554 L N 0.764 121.924 121.223 -0.104 0.000 2.137 554 L HA -0.160 4.181 4.340 0.001 0.000 0.213 554 L C 0.482 177.310 176.870 -0.070 0.000 1.085 554 L CA 1.120 55.897 54.840 -0.105 0.000 0.760 554 L CB 0.218 42.170 42.059 -0.179 0.000 0.893 554 L HN 0.145 nan 8.230 nan 0.000 0.434 555 I N 0.000 120.535 120.570 -0.058 0.000 2.984 555 I HA 0.000 4.171 4.170 0.001 0.000 0.288 555 I CA 0.000 61.295 61.300 -0.009 0.000 1.566 555 I CB 0.000 38.004 38.000 0.007 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494