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 2uz1_1_D DATA FIRST_RESID 2 DATA SEQUENCE AMITGGELVV RTLIKAGVEH LFGLHGAHID 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 0.000 177.594 177.584 0.017 0.000 1.274 2 A CA 0.000 52.046 52.037 0.015 0.000 0.836 2 A CB 0.000 19.008 19.000 0.014 0.000 0.831 3 M N 1.776 121.385 119.600 0.015 0.000 2.185 3 M HA 0.526 5.006 4.480 0.001 0.000 0.357 3 M C -0.026 176.287 176.300 0.022 0.000 1.260 3 M CA -0.162 55.147 55.300 0.015 0.000 1.124 3 M CB -0.049 32.557 32.600 0.010 0.000 1.600 3 M HN 0.564 nan 8.290 nan 0.000 0.467 4 I N -0.485 120.100 120.570 0.026 0.000 2.828 4 I HA 0.701 4.872 4.170 0.001 0.000 0.302 4 I C 0.302 176.441 176.117 0.036 0.000 1.101 4 I CA -0.962 60.360 61.300 0.036 0.000 1.031 4 I CB 2.164 40.191 38.000 0.046 0.000 1.231 4 I HN 0.672 nan 8.210 nan 0.000 0.427 5 T N 0.734 115.316 114.554 0.046 0.000 2.828 5 T HA 0.321 4.672 4.350 0.001 0.000 0.290 5 T C 1.282 176.012 174.700 0.051 0.000 1.019 5 T CA -0.025 62.105 62.100 0.049 0.000 1.031 5 T CB 1.268 70.175 68.868 0.065 0.000 1.001 5 T HN 0.925 nan 8.240 nan 0.000 0.531 6 G N 0.394 109.225 108.800 0.051 0.000 2.442 6 G HA2 -0.042 3.918 3.960 0.001 0.000 0.219 6 G HA3 -0.042 3.918 3.960 0.001 0.000 0.219 6 G C 1.569 176.506 174.900 0.061 0.000 1.141 6 G CA 0.612 45.744 45.100 0.053 0.000 0.763 6 G HN 1.031 nan 8.290 nan 0.000 0.554 7 G N 0.601 109.447 108.800 0.076 0.000 2.418 7 G HA2 -0.178 3.783 3.960 0.001 0.000 0.217 7 G HA3 -0.178 3.783 3.960 0.001 0.000 0.217 7 G C 1.581 176.517 174.900 0.060 0.000 1.158 7 G CA 1.325 46.470 45.100 0.076 0.000 0.771 7 G HN 0.505 nan 8.290 nan 0.000 0.545 8 E N 0.549 120.789 120.200 0.067 0.000 2.058 8 E HA -0.084 4.266 4.350 0.001 0.000 0.194 8 E C 2.496 179.114 176.600 0.029 0.000 0.997 8 E CA 0.832 57.271 56.400 0.065 0.000 0.801 8 E CB -0.479 29.271 29.700 0.085 0.000 0.746 8 E HN 0.442 nan 8.360 nan 0.000 0.450 9 L N -0.449 120.794 121.223 0.032 0.000 2.042 9 L HA -0.206 4.135 4.340 0.001 0.000 0.210 9 L C 2.458 179.334 176.870 0.011 0.000 1.076 9 L CA 1.061 55.914 54.840 0.022 0.000 0.749 9 L CB -0.547 41.533 42.059 0.035 0.000 0.893 9 L HN 0.116 nan 8.230 nan 0.000 0.432 10 V N -0.605 119.320 119.914 0.019 0.000 2.255 10 V HA -0.286 3.834 4.120 0.001 0.000 0.247 10 V C 2.386 178.465 176.094 -0.025 0.000 1.051 10 V CA 1.872 64.179 62.300 0.011 0.000 1.018 10 V CB -0.358 31.477 31.823 0.021 0.000 0.641 10 V HN 0.209 nan 8.190 nan 0.000 0.445 11 V N -0.290 119.596 119.914 -0.048 0.000 2.358 11 V HA -0.209 3.912 4.120 0.001 0.000 0.246 11 V C 2.553 178.540 176.094 -0.179 0.000 1.047 11 V CA 1.863 64.098 62.300 -0.109 0.000 1.035 11 V CB -0.818 30.944 31.823 -0.101 0.000 0.658 11 V HN 0.467 nan 8.190 nan 0.000 0.452 12 R N -0.084 120.309 120.500 -0.177 0.000 2.105 12 R HA -0.149 4.192 4.340 0.001 0.000 0.239 12 R C 2.332 178.572 176.300 -0.101 0.000 1.135 12 R CA 1.941 57.933 56.100 -0.180 0.000 0.967 12 R CB -0.692 29.546 30.300 -0.104 0.000 0.861 12 R HN 0.517 nan 8.270 nan 0.000 0.442 13 T N 1.494 116.013 114.554 -0.058 0.000 2.812 13 T HA -0.010 4.341 4.350 0.001 0.000 0.264 13 T C 1.936 176.617 174.700 -0.032 0.000 1.042 13 T CA 0.765 62.849 62.100 -0.027 0.000 1.140 13 T CB -0.089 68.781 68.868 0.002 0.000 0.870 13 T HN 0.110 nan 8.240 nan 0.000 0.445 14 L N 0.425 121.621 121.223 -0.045 0.000 2.012 14 L HA -0.082 4.259 4.340 0.001 0.000 0.210 14 L C 2.472 179.307 176.870 -0.058 0.000 1.073 14 L CA 1.367 56.179 54.840 -0.046 0.000 0.748 14 L CB -0.636 41.386 42.059 -0.061 0.000 0.891 14 L HN 0.262 nan 8.230 nan 0.000 0.431 15 I N -0.213 120.301 120.570 -0.093 0.000 2.179 15 I HA -0.311 3.859 4.170 0.001 0.000 0.242 15 I C 2.656 178.740 176.117 -0.056 0.000 1.088 15 I CA 1.349 62.594 61.300 -0.093 0.000 1.357 15 I CB -0.259 37.652 38.000 -0.148 0.000 1.051 15 I HN 0.203 nan 8.210 nan 0.000 0.409 16 K N 1.086 121.455 120.400 -0.051 0.000 2.147 16 K HA -0.143 4.178 4.320 0.001 0.000 0.205 16 K C 2.065 178.654 176.600 -0.018 0.000 1.049 16 K CA 1.333 57.603 56.287 -0.029 0.000 0.936 16 K CB -0.082 32.404 32.500 -0.024 0.000 0.722 16 K HN 0.320 nan 8.250 nan 0.000 0.446 17 A N -0.321 122.490 122.820 -0.015 0.000 2.119 17 A HA 0.101 4.422 4.320 0.001 0.000 0.217 17 A C 1.471 179.056 177.584 0.001 0.000 1.153 17 A CA 1.257 53.292 52.037 -0.004 0.000 0.692 17 A CB -0.368 18.634 19.000 0.004 0.000 0.799 17 A HN 0.531 nan 8.150 nan 0.000 0.458 18 G N -2.226 106.572 108.800 -0.005 0.000 2.168 18 G HA2 -0.145 3.815 3.960 0.001 0.000 0.197 18 G HA3 -0.145 3.815 3.960 0.001 0.000 0.197 18 G C 0.105 175.015 174.900 0.018 0.000 0.997 18 G CA -0.067 45.036 45.100 0.004 0.000 0.658 18 G HN 0.716 nan 8.290 nan 0.000 0.513 19 V N 0.826 120.744 119.914 0.006 0.000 2.585 19 V HA 0.308 4.429 4.120 0.001 0.000 0.296 19 V C 1.196 177.267 176.094 -0.039 0.000 1.035 19 V CA 1.191 63.498 62.300 0.012 0.000 1.084 19 V CB 1.315 33.129 31.823 -0.015 0.000 0.953 19 V HN 0.492 nan 8.190 nan 0.000 0.483 20 E N 2.318 122.498 120.200 -0.034 0.000 2.572 20 E HA 0.222 4.573 4.350 0.001 0.000 0.220 20 E C -0.611 175.643 176.600 -0.575 0.000 0.945 20 E CA -0.029 56.236 56.400 -0.225 0.000 1.070 20 E CB 0.743 30.346 29.700 -0.162 0.000 1.090 20 E HN 0.871 nan 8.360 nan 0.000 0.506 21 H N -0.707 118.251 119.070 -0.188 0.000 2.930 21 H HA 0.456 5.013 4.556 0.001 0.000 0.371 21 H C -1.324 173.684 175.328 -0.533 0.000 1.169 21 H CA -0.656 55.132 56.048 -0.433 0.000 1.157 21 H CB 1.547 30.921 29.762 -0.646 0.000 1.789 21 H HN -0.152 nan 8.280 nan 0.000 0.547 22 L N 1.785 122.716 121.223 -0.487 0.000 2.333 22 L HA 0.551 4.891 4.340 0.001 0.000 0.263 22 L C -1.179 175.276 176.870 -0.691 0.000 1.014 22 L CA -0.424 54.153 54.840 -0.439 0.000 0.820 22 L CB 1.282 43.157 42.059 -0.307 0.000 1.352 22 L HN 0.486 nan 8.230 nan 0.000 0.421 23 F N 0.032 119.866 119.950 -0.193 0.000 2.507 23 F HA 0.842 5.369 4.527 0.001 0.000 0.325 23 F C 0.644 176.392 175.800 -0.088 0.000 1.116 23 F CA -0.400 57.521 58.000 -0.131 0.000 0.930 23 F CB 2.194 41.114 39.000 -0.134 0.000 1.146 23 F HN 0.503 nan 8.300 nan 0.000 0.447 24 G N 1.798 110.670 108.800 0.119 0.000 2.490 24 G HA2 0.611 4.571 3.960 0.001 0.000 0.308 24 G HA3 0.611 4.571 3.960 0.001 0.000 0.308 24 G C -2.499 172.519 174.900 0.198 0.000 1.286 24 G CA -0.764 44.417 45.100 0.134 0.000 0.825 24 G HN 0.690 nan 8.290 nan 0.000 0.479 25 L N -0.105 121.266 121.223 0.246 0.000 2.513 25 L HA 0.563 4.904 4.340 0.001 0.000 0.261 25 L C -0.681 176.306 176.870 0.195 0.000 0.945 25 L CA -0.969 53.999 54.840 0.213 0.000 0.848 25 L CB 2.336 44.456 42.059 0.101 0.000 1.334 25 L HN 0.918 nan 8.230 nan 0.000 0.407 26 H N 2.591 121.642 119.070 -0.032 0.000 2.790 26 H HA 0.610 5.167 4.556 0.001 0.000 0.358 26 H C -0.192 174.993 175.328 -0.239 0.000 1.103 26 H CA 1.049 56.855 56.048 -0.403 0.000 1.426 26 H CB 1.252 30.591 29.762 -0.705 0.000 1.424 26 H HN 0.718 nan 8.280 nan 0.000 0.599 27 G N 1.524 109.738 108.800 -0.975 0.000 2.718 27 G HA2 0.464 4.424 3.960 0.001 0.000 0.295 27 G HA3 0.464 4.424 3.960 0.001 0.000 0.295 27 G C 0.234 174.657 174.900 -0.794 0.000 1.421 27 G CA -0.290 44.427 45.100 -0.638 0.000 0.902 27 G HN 0.858 nan 8.290 nan 0.000 0.501 28 A N 0.159 122.747 122.820 -0.386 0.000 1.940 28 A HA -0.098 4.223 4.320 0.001 0.000 0.219 28 A C 1.924 179.135 177.584 -0.621 0.000 1.176 28 A CA 2.357 54.224 52.037 -0.284 0.000 0.631 28 A CB -0.851 18.104 19.000 -0.076 0.000 0.814 28 A HN 0.785 nan 8.150 nan 0.000 0.446 29 H N -0.064 118.312 119.070 -1.156 0.000 2.460 29 H HA -0.101 4.455 4.556 0.001 0.000 0.297 29 H C 1.504 176.424 175.328 -0.681 0.000 1.103 29 H CA 1.781 56.922 56.048 -1.511 0.000 1.292 29 H CB -0.243 28.949 29.762 -0.950 0.000 1.376 29 H HN 0.726 nan 8.280 nan 0.000 0.531 30 I N -3.188 117.211 120.570 -0.286 0.000 3.936 30 I HA 0.231 4.401 4.170 0.001 0.000 0.330 30 I C 0.986 177.139 176.117 0.060 0.000 1.509 30 I CA -0.009 61.256 61.300 -0.057 0.000 1.126 30 I CB 0.695 38.704 38.000 0.014 0.000 1.115 30 I HN -0.145 nan 8.210 nan 0.000 0.424 31 D N 2.361 122.749 120.400 -0.021 0.000 2.182 31 D HA -0.222 4.419 4.640 0.001 0.000 0.201 31 D C 2.319 178.764 176.300 0.242 0.000 0.986 31 D CA 2.424 56.513 54.000 0.148 0.000 0.847 31 D CB 0.253 41.159 40.800 0.178 0.000 0.942 31 D HN 0.544 nan 8.370 nan 0.000 0.467 32 T N -1.644 113.026 114.554 0.193 0.000 2.833 32 T HA -0.154 4.196 4.350 0.001 0.000 0.269 32 T C 2.168 176.963 174.700 0.159 0.000 1.054 32 T CA 1.039 63.240 62.100 0.170 0.000 1.135 32 T CB -0.565 68.394 68.868 0.151 0.000 0.869 32 T HN 0.223 nan 8.240 nan 0.000 0.466 33 I N -0.346 120.322 120.570 0.163 0.000 2.286 33 I HA 0.016 4.187 4.170 0.001 0.000 0.245 33 I C 2.234 178.407 176.117 0.094 0.000 1.104 33 I CA 1.120 62.479 61.300 0.098 0.000 1.397 33 I CB -0.441 37.588 38.000 0.047 0.000 1.072 33 I HN 0.092 nan 8.210 nan 0.000 0.417 34 F N 1.083 121.069 119.950 0.059 0.000 2.126 34 F HA -0.244 4.283 4.527 0.001 0.000 0.299 34 F C 2.737 178.578 175.800 0.069 0.000 1.096 34 F CA 1.404 59.451 58.000 0.078 0.000 1.255 34 F CB -0.484 38.611 39.000 0.158 0.000 0.997 34 F HN 0.088 nan 8.300 nan 0.000 0.479 35 Q N -0.134 119.825 119.800 0.265 0.000 2.119 35 Q HA -0.099 4.242 4.340 0.001 0.000 0.201 35 Q C 2.551 178.625 176.000 0.123 0.000 0.972 35 Q CA 1.405 57.308 55.803 0.166 0.000 0.847 35 Q CB -1.020 27.802 28.738 0.141 0.000 0.903 35 Q HN 0.434 nan 8.270 nan 0.000 0.433 36 A N 0.309 123.208 122.820 0.131 0.000 1.898 36 A HA -0.160 4.161 4.320 0.001 0.000 0.216 36 A C 2.554 180.253 177.584 0.192 0.000 1.181 36 A CA 1.359 53.497 52.037 0.168 0.000 0.620 36 A CB -0.954 18.128 19.000 0.137 0.000 0.819 36 A HN 0.449 nan 8.150 nan 0.000 0.442 37 C N -1.244 118.102 119.300 0.077 0.000 2.429 37 C HA -0.080 4.381 4.460 0.001 0.000 0.277 37 C C 2.545 177.557 174.990 0.038 0.000 1.262 37 C CA 1.168 60.197 59.018 0.018 0.000 1.733 37 C CB -1.423 26.249 27.740 -0.113 0.000 2.010 37 C HN 0.680 nan 8.230 nan 0.000 0.483 38 L N 1.465 122.718 121.223 0.049 0.000 2.017 38 L HA -0.127 4.213 4.340 0.001 0.000 0.208 38 L C 2.002 178.878 176.870 0.010 0.000 1.073 38 L CA 2.146 57.009 54.840 0.038 0.000 0.745 38 L CB -0.974 41.122 42.059 0.062 0.000 0.894 38 L HN 0.237 nan 8.230 nan 0.000 0.432 39 D N -1.020 119.379 120.400 -0.001 0.000 2.133 39 D HA -0.208 4.433 4.640 0.001 0.000 0.195 39 D C 1.674 177.852 176.300 -0.204 0.000 0.997 39 D CA 1.777 55.709 54.000 -0.112 0.000 0.840 39 D CB -0.227 40.473 40.800 -0.166 0.000 0.947 39 D HN 0.567 nan 8.370 nan 0.000 0.452 40 H N 0.207 119.266 119.070 -0.019 0.000 2.526 40 H HA 0.102 4.658 4.556 0.001 0.000 0.274 40 H C -0.299 175.004 175.328 -0.043 0.000 0.999 40 H CA 0.083 56.113 56.048 -0.029 0.000 1.157 40 H CB 0.185 29.926 29.762 -0.034 0.000 1.407 40 H HN -0.070 nan 8.280 nan 0.000 0.568 41 D N 0.162 120.580 120.400 0.030 0.000 2.751 41 D HA -0.153 4.488 4.640 0.001 0.000 0.233 41 D C -0.713 175.566 176.300 -0.034 0.000 1.149 41 D CA 0.468 54.465 54.000 -0.005 0.000 0.682 41 D CB -1.461 39.333 40.800 -0.011 0.000 1.068 41 D HN 0.173 nan 8.370 nan 0.000 0.429 42 V N 0.888 120.777 119.914 -0.042 0.000 2.364 42 V HA 0.276 4.397 4.120 0.001 0.000 0.272 42 V C -1.758 174.245 176.094 -0.151 0.000 1.036 42 V CA -1.354 60.874 62.300 -0.120 0.000 0.880 42 V CB 1.410 33.158 31.823 -0.124 0.000 0.991 42 V HN -0.084 nan 8.190 nan 0.000 0.460 43 P HA 0.302 nan 4.420 nan 0.000 0.271 43 P C -0.575 176.583 177.300 -0.237 0.000 1.216 43 P CA 0.085 63.092 63.100 -0.154 0.000 0.771 43 P CB 0.515 32.161 31.700 -0.089 0.000 0.864 44 I N 4.132 124.565 120.570 -0.230 0.000 2.355 44 I HA 0.244 4.415 4.170 0.001 0.000 0.288 44 I C 0.010 176.000 176.117 -0.212 0.000 0.999 44 I CA -0.849 60.261 61.300 -0.316 0.000 1.163 44 I CB 1.021 38.742 38.000 -0.466 0.000 1.316 44 I HN 0.147 nan 8.210 nan 0.000 0.454 45 I N 6.778 127.157 120.570 -0.319 0.000 2.329 45 I HA 0.027 4.198 4.170 0.001 0.000 0.295 45 I C 0.322 176.441 176.117 0.003 0.000 1.109 45 I CA 0.007 61.210 61.300 -0.162 0.000 1.297 45 I CB 0.002 37.860 38.000 -0.237 0.000 1.433 45 I HN 0.481 nan 8.210 nan 0.000 0.509 46 D N 5.103 125.542 120.400 0.065 0.000 2.274 46 D HA 0.261 4.901 4.640 0.001 0.000 0.239 46 D C 0.120 176.477 176.300 0.095 0.000 1.104 46 D CA -0.476 53.600 54.000 0.128 0.000 0.840 46 D CB 1.478 42.395 40.800 0.194 0.000 1.100 46 D HN 0.457 nan 8.370 nan 0.000 0.477 47 T N 0.083 114.694 114.554 0.095 0.000 2.892 47 T HA 0.366 4.717 4.350 0.001 0.000 0.280 47 T C 1.017 175.732 174.700 0.025 0.000 1.004 47 T CA -0.909 61.220 62.100 0.048 0.000 0.950 47 T CB 1.417 70.318 68.868 0.056 0.000 1.309 47 T HN 0.210 nan 8.240 nan 0.000 0.592 48 R N 0.097 120.590 120.500 -0.011 0.000 2.362 48 R HA 0.282 4.622 4.340 0.001 0.000 0.227 48 R C -0.017 176.318 176.300 0.059 0.000 0.905 48 R CA 0.024 56.120 56.100 -0.006 0.000 1.067 48 R CB -0.678 29.578 30.300 -0.073 0.000 1.078 48 R HN 0.738 nan 8.270 nan 0.000 0.516 49 H N -0.491 118.559 119.070 -0.033 0.000 3.123 49 H HA 0.128 4.685 4.556 0.001 0.000 0.346 49 H C -0.099 175.220 175.328 -0.015 0.000 1.138 49 H CA -0.298 55.738 56.048 -0.021 0.000 1.273 49 H CB 1.516 31.265 29.762 -0.022 0.000 1.926 49 H HN -0.218 nan 8.280 nan 0.000 0.524 50 E N 2.795 123.131 120.200 0.228 0.000 2.204 50 E HA -0.061 4.290 4.350 0.001 0.000 0.195 50 E C 1.922 178.599 176.600 0.129 0.000 0.990 50 E CA 1.502 57.992 56.400 0.151 0.000 0.821 50 E CB 0.177 29.920 29.700 0.071 0.000 0.750 50 E HN 0.609 nan 8.360 nan 0.000 0.477 51 A N 1.112 124.062 122.820 0.217 0.000 1.883 51 A HA -0.150 4.171 4.320 0.001 0.000 0.217 51 A C 2.399 179.875 177.584 -0.180 0.000 1.186 51 A CA 1.923 53.872 52.037 -0.147 0.000 0.624 51 A CB -0.964 17.836 19.000 -0.334 0.000 0.822 51 A HN 0.311 nan 8.150 nan 0.000 0.444 52 A N -0.302 122.488 122.820 -0.051 0.000 1.940 52 A HA 0.139 4.460 4.320 0.001 0.000 0.219 52 A C 2.475 180.057 177.584 -0.004 0.000 1.176 52 A CA 2.159 54.194 52.037 -0.002 0.000 0.631 52 A CB -0.938 18.031 19.000 -0.051 0.000 0.814 52 A HN 1.065 nan 8.150 nan 0.000 0.446 53 A N -0.471 122.364 122.820 0.024 0.000 1.873 53 A HA 0.161 4.482 4.320 0.001 0.000 0.215 53 A C 2.430 180.003 177.584 -0.018 0.000 1.186 53 A CA 1.857 53.931 52.037 0.062 0.000 0.616 53 A CB -1.404 17.666 19.000 0.117 0.000 0.823 53 A HN 0.707 nan 8.150 nan 0.000 0.442 54 G N -1.051 107.730 108.800 -0.032 0.000 2.446 54 G HA2 -0.279 3.682 3.960 0.001 0.000 0.217 54 G HA3 -0.279 3.682 3.960 0.001 0.000 0.217 54 G C 1.487 176.332 174.900 -0.092 0.000 1.168 54 G CA 1.183 46.275 45.100 -0.014 0.000 0.771 54 G HN 0.636 nan 8.290 nan 0.000 0.551 55 H N 0.832 119.884 119.070 -0.030 0.000 2.421 55 H HA 0.066 4.623 4.556 0.001 0.000 0.298 55 H C 2.886 178.093 175.328 -0.203 0.000 1.087 55 H CA 1.035 57.031 56.048 -0.086 0.000 1.330 55 H CB -0.584 29.131 29.762 -0.078 0.000 1.388 55 H HN 0.391 nan 8.280 nan 0.000 0.526 56 A N 1.172 123.874 122.820 -0.197 0.000 1.902 56 A HA -0.081 4.240 4.320 0.001 0.000 0.217 56 A C 2.716 179.750 177.584 -0.917 0.000 1.181 56 A CA 1.726 53.418 52.037 -0.577 0.000 0.623 56 A CB -0.815 17.762 19.000 -0.706 0.000 0.818 56 A HN 0.426 nan 8.150 nan 0.000 0.443 57 A N -0.145 122.246 122.820 -0.715 0.000 1.902 57 A HA -0.191 4.130 4.320 0.001 0.000 0.217 57 A C 1.905 179.366 177.584 -0.205 0.000 1.181 57 A CA 1.716 53.488 52.037 -0.442 0.000 0.623 57 A CB -0.546 18.286 19.000 -0.281 0.000 0.818 57 A HN 0.652 nan 8.150 nan 0.000 0.443 58 E N -0.765 119.344 120.200 -0.152 0.000 2.051 58 E HA -0.127 4.224 4.350 0.001 0.000 0.192 58 E C 2.154 178.714 176.600 -0.067 0.000 0.991 58 E CA 0.874 57.244 56.400 -0.049 0.000 0.799 58 E CB -0.391 29.329 29.700 0.032 0.000 0.748 58 E HN 0.611 nan 8.360 nan 0.000 0.449 59 G N 0.250 108.979 108.800 -0.119 0.000 2.408 59 G HA2 -0.290 3.671 3.960 0.001 0.000 0.217 59 G HA3 -0.290 3.671 3.960 0.001 0.000 0.217 59 G C 1.381 176.237 174.900 -0.074 0.000 1.150 59 G CA 0.695 45.725 45.100 -0.116 0.000 0.776 59 G HN 0.275 nan 8.290 nan 0.000 0.542 60 Y N 1.844 122.006 120.300 -0.229 0.000 2.163 60 Y HA 0.048 4.599 4.550 0.001 0.000 0.288 60 Y C 2.921 178.786 175.900 -0.058 0.000 1.136 60 Y CA 1.538 59.566 58.100 -0.120 0.000 1.147 60 Y CB -0.242 38.177 38.460 -0.069 0.000 0.987 60 Y HN 0.240 nan 8.280 nan 0.000 0.509 61 A N 0.652 123.529 122.820 0.095 0.000 1.877 61 A HA -0.196 4.124 4.320 0.001 0.000 0.216 61 A C 2.260 179.811 177.584 -0.054 0.000 1.186 61 A CA 1.959 54.010 52.037 0.022 0.000 0.620 61 A CB -0.612 18.417 19.000 0.048 0.000 0.822 61 A HN 0.548 nan 8.150 nan 0.000 0.443 62 R N -0.671 119.794 120.500 -0.059 0.000 2.066 62 R HA 0.014 4.354 4.340 0.001 0.000 0.232 62 R C 2.499 178.746 176.300 -0.087 0.000 1.131 62 R CA 1.182 57.239 56.100 -0.072 0.000 0.955 62 R CB -0.431 29.819 30.300 -0.082 0.000 0.851 62 R HN 0.495 nan 8.270 nan 0.000 0.432 63 A N 0.421 123.177 122.820 -0.107 0.000 1.930 63 A HA -0.028 4.292 4.320 0.001 0.000 0.217 63 A C 2.118 179.621 177.584 -0.134 0.000 1.175 63 A CA 1.600 53.572 52.037 -0.109 0.000 0.627 63 A CB -0.601 18.334 19.000 -0.109 0.000 0.815 63 A HN 0.455 nan 8.150 nan 0.000 0.443 64 G N -2.162 106.515 108.800 -0.206 0.000 3.088 64 G HA2 0.407 4.368 3.960 0.001 0.000 0.217 64 G HA3 0.407 4.368 3.960 0.001 0.000 0.217 64 G C 0.736 175.542 174.900 -0.157 0.000 1.159 64 G CA 0.609 45.567 45.100 -0.236 0.000 0.760 64 G HN 1.490 nan 8.290 nan 0.000 0.550 65 A N 0.367 123.121 122.820 -0.111 0.000 2.415 65 A HA -0.098 4.222 4.320 0.001 0.000 0.292 65 A C 0.768 178.318 177.584 -0.055 0.000 1.452 65 A CA 1.735 53.732 52.037 -0.067 0.000 0.750 65 A CB -1.904 17.066 19.000 -0.050 0.000 1.099 65 A HN 0.908 nan 8.150 nan 0.000 0.391 66 K N -1.539 118.830 120.400 -0.052 0.000 2.428 66 K HA 0.806 5.127 4.320 0.001 0.000 0.279 66 K C -0.584 176.048 176.600 0.052 0.000 1.041 66 K CA -1.180 55.103 56.287 -0.006 0.000 0.887 66 K CB 0.698 33.187 32.500 -0.018 0.000 1.535 66 K HN 0.652 nan 8.250 nan 0.000 0.417 67 L N 1.451 122.732 121.223 0.095 0.000 2.410 67 L HA 0.352 4.693 4.340 0.001 0.000 0.273 67 L C 0.055 177.052 176.870 0.212 0.000 1.152 67 L CA 0.811 55.721 54.840 0.116 0.000 0.855 67 L CB 0.807 42.921 42.059 0.092 0.000 1.129 67 L HN 0.766 nan 8.230 nan 0.000 0.463 68 G N 4.442 113.333 108.800 0.151 0.000 2.389 68 G HA2 0.571 4.532 3.960 0.001 0.000 0.317 68 G HA3 0.571 4.532 3.960 0.001 0.000 0.317 68 G C -1.414 173.477 174.900 -0.015 0.000 1.137 68 G CA -0.472 44.714 45.100 0.142 0.000 0.870 68 G HN 0.538 nan 8.290 nan 0.000 0.496 69 V N 1.097 120.995 119.914 -0.026 0.000 2.483 69 V HA 0.692 4.813 4.120 0.001 0.000 0.297 69 V C 0.286 176.330 176.094 -0.083 0.000 1.027 69 V CA -0.788 61.460 62.300 -0.087 0.000 0.855 69 V CB 1.102 32.886 31.823 -0.064 0.000 0.995 69 V HN 1.111 nan 8.190 nan 0.000 0.424 70 A N 4.828 127.524 122.820 -0.207 0.000 2.325 70 A HA 0.974 5.295 4.320 0.001 0.000 0.333 70 A C -1.179 176.390 177.584 -0.025 0.000 1.155 70 A CA -0.596 51.364 52.037 -0.127 0.000 0.814 70 A CB 1.525 20.351 19.000 -0.290 0.000 1.206 70 A HN 0.932 nan 8.150 nan 0.000 0.482 71 L N 2.932 124.174 121.223 0.031 0.000 2.446 71 L HA 0.680 5.020 4.340 0.001 0.000 0.268 71 L C -0.783 176.147 176.870 0.101 0.000 0.975 71 L CA -0.374 54.492 54.840 0.044 0.000 0.848 71 L CB 1.734 43.768 42.059 -0.043 0.000 1.225 71 L HN 1.008 nan 8.230 nan 0.000 0.410 72 V N 0.933 120.912 119.914 0.109 0.000 3.078 72 V HA 0.759 4.879 4.120 0.001 0.000 0.311 72 V C -0.131 175.985 176.094 0.037 0.000 1.138 72 V CA -0.346 62.008 62.300 0.090 0.000 1.007 72 V CB 1.645 33.530 31.823 0.103 0.000 1.045 72 V HN 0.747 nan 8.190 nan 0.000 0.432 73 T N 1.270 115.806 114.554 -0.031 0.000 2.849 73 T HA 0.723 5.074 4.350 0.001 0.000 0.276 73 T C 0.544 175.145 174.700 -0.166 0.000 0.971 73 T CA 0.329 62.347 62.100 -0.137 0.000 0.949 73 T CB 1.138 69.871 68.868 -0.225 0.000 1.093 73 T HN 1.764 nan 8.240 nan 0.000 0.545 74 A N 0.435 123.033 122.820 -0.369 0.000 2.466 74 A HA 0.533 4.854 4.320 0.001 0.000 0.238 74 A C 1.471 178.912 177.584 -0.238 0.000 1.074 74 A CA 0.538 52.358 52.037 -0.363 0.000 0.774 74 A CB -1.209 17.365 19.000 -0.709 0.000 1.015 74 A HN 1.814 nan 8.150 nan 0.000 0.498 75 G N 1.280 110.014 108.800 -0.111 0.000 2.687 75 G HA2 -0.145 3.816 3.960 0.001 0.000 0.303 75 G HA3 -0.145 3.816 3.960 0.001 0.000 0.303 75 G C 1.466 176.378 174.900 0.020 0.000 1.209 75 G CA 1.042 46.114 45.100 -0.048 0.000 0.968 75 G HN 1.984 nan 8.290 nan 0.000 0.549 76 G N 1.024 109.803 108.800 -0.035 0.000 2.484 76 G HA2 0.341 4.302 3.960 0.001 0.000 0.218 76 G HA3 0.341 4.302 3.960 0.001 0.000 0.218 76 G C 1.760 176.632 174.900 -0.047 0.000 1.130 76 G CA 1.862 46.940 45.100 -0.036 0.000 0.784 76 G HN 1.652 nan 8.290 nan 0.000 0.543 77 G N 0.955 109.727 108.800 -0.047 0.000 2.459 77 G HA2 -0.235 3.726 3.960 0.001 0.000 0.217 77 G HA3 -0.235 3.726 3.960 0.001 0.000 0.217 77 G C 1.565 176.471 174.900 0.011 0.000 1.183 77 G CA 1.000 46.083 45.100 -0.029 0.000 0.776 77 G HN 0.360 nan 8.290 nan 0.000 0.552 78 F N 2.745 122.647 119.950 -0.080 0.000 2.069 78 F HA -0.165 4.363 4.527 0.001 0.000 0.298 78 F C 3.058 178.812 175.800 -0.076 0.000 1.113 78 F CA 2.650 60.606 58.000 -0.074 0.000 1.214 78 F CB -0.773 38.172 39.000 -0.093 0.000 0.978 78 F HN 0.238 nan 8.300 nan 0.000 0.474 79 T N -1.506 112.912 114.554 -0.226 0.000 2.833 79 T HA -0.186 4.165 4.350 0.001 0.000 0.269 79 T C 1.718 176.252 174.700 -0.276 0.000 1.054 79 T CA 1.421 63.328 62.100 -0.322 0.000 1.135 79 T CB -0.787 68.045 68.868 -0.060 0.000 0.869 79 T HN 0.259 nan 8.240 nan 0.000 0.466 80 N N 2.128 120.736 118.700 -0.153 0.000 2.443 80 N HA 0.112 4.853 4.740 0.001 0.000 0.184 80 N C 1.662 177.122 175.510 -0.084 0.000 1.037 80 N CA 1.070 54.097 53.050 -0.039 0.000 0.896 80 N CB -0.404 38.087 38.487 0.006 0.000 0.959 80 N HN 0.707 nan 8.380 nan 0.000 0.442 81 A N -0.122 122.553 122.820 -0.242 0.000 2.308 81 A HA 0.119 4.440 4.320 0.001 0.000 0.217 81 A C 2.056 179.385 177.584 -0.425 0.000 1.216 81 A CA 0.108 51.993 52.037 -0.254 0.000 0.864 81 A CB -0.166 18.739 19.000 -0.158 0.000 0.902 81 A HN 0.145 nan 8.150 nan 0.000 0.499 82 V N -2.744 116.885 119.914 -0.475 0.000 2.548 82 V HA -0.131 3.989 4.120 0.001 0.000 0.249 82 V C 1.999 177.928 176.094 -0.274 0.000 1.055 82 V CA 2.652 64.676 62.300 -0.460 0.000 1.065 82 V CB -1.668 29.892 31.823 -0.439 0.000 0.681 82 V HN 0.333 nan 8.190 nan 0.000 0.462 83 T N 1.246 115.691 114.554 -0.182 0.000 2.708 83 T HA -0.033 4.318 4.350 0.001 0.000 0.266 83 T C 0.098 174.798 174.700 -0.000 0.000 1.037 83 T CA 2.259 64.323 62.100 -0.059 0.000 1.146 83 T CB -1.334 67.542 68.868 0.014 0.000 0.865 83 T HN 0.481 nan 8.240 nan 0.000 0.435 84 P HA -0.060 nan 4.420 nan 0.000 0.216 84 P C 1.479 178.812 177.300 0.056 0.000 1.157 84 P CA 1.052 64.115 63.100 -0.062 0.000 0.880 84 P CB -0.224 31.378 31.700 -0.163 0.000 0.791 85 I N -0.792 119.597 120.570 -0.301 0.000 2.163 85 I HA -0.292 3.879 4.170 0.001 0.000 0.243 85 I C 2.362 178.462 176.117 -0.029 0.000 1.085 85 I CA 1.761 62.816 61.300 -0.409 0.000 1.347 85 I CB -0.958 36.621 38.000 -0.702 0.000 1.044 85 I HN -0.078 nan 8.210 nan 0.000 0.408 86 A N 0.514 123.319 122.820 -0.025 0.000 1.902 86 A HA -0.254 4.067 4.320 0.001 0.000 0.217 86 A C 2.199 179.900 177.584 0.195 0.000 1.181 86 A CA 2.020 54.117 52.037 0.100 0.000 0.623 86 A CB -0.977 18.047 19.000 0.041 0.000 0.818 86 A HN 0.528 nan 8.150 nan 0.000 0.443 87 N N 0.123 118.915 118.700 0.153 0.000 2.084 87 N HA -0.155 4.585 4.740 0.001 0.000 0.190 87 N C 1.962 177.561 175.510 0.150 0.000 1.030 87 N CA 1.375 54.513 53.050 0.146 0.000 0.849 87 N CB -0.182 38.403 38.487 0.164 0.000 1.012 87 N HN 0.395 nan 8.380 nan 0.000 0.423 88 A N 1.451 124.394 122.820 0.205 0.000 1.933 88 A HA -0.173 4.148 4.320 0.001 0.000 0.218 88 A C 2.017 179.730 177.584 0.214 0.000 1.175 88 A CA 0.914 53.075 52.037 0.206 0.000 0.628 88 A CB -1.264 17.922 19.000 0.309 0.000 0.814 88 A HN 0.716 nan 8.150 nan 0.000 0.444 89 W N 0.691 122.034 121.300 0.070 0.000 2.315 89 W HA -0.214 4.447 4.660 0.001 0.000 0.323 89 W C 1.522 178.072 176.519 0.052 0.000 1.233 89 W CA 1.863 59.244 57.345 0.060 0.000 1.267 89 W CB -0.362 29.125 29.460 0.045 0.000 1.160 89 W HN 0.296 nan 8.180 nan 0.000 0.474 90 L N 0.432 121.651 121.223 -0.005 0.000 2.291 90 L HA -0.153 4.187 4.340 0.001 0.000 0.214 90 L C 1.541 178.280 176.870 -0.218 0.000 1.120 90 L CA 1.076 55.840 54.840 -0.126 0.000 0.799 90 L CB -0.753 41.371 42.059 0.108 0.000 0.925 90 L HN -0.160 nan 8.230 nan 0.000 0.446 91 D N 0.181 120.494 120.400 -0.145 0.000 2.349 91 D HA 0.029 4.669 4.640 0.001 0.000 0.215 91 D C 0.311 176.516 176.300 -0.158 0.000 1.016 91 D CA 0.082 53.976 54.000 -0.176 0.000 0.870 91 D CB 0.183 40.928 40.800 -0.092 0.000 0.917 91 D HN 0.027 nan 8.370 nan 0.000 0.524 92 R N -0.151 120.259 120.500 -0.151 0.000 3.267 92 R HA -0.118 4.223 4.340 0.001 0.000 0.254 92 R C -0.697 175.577 176.300 -0.044 0.000 0.993 92 R CA 0.495 56.525 56.100 -0.117 0.000 0.670 92 R CB -2.575 27.637 30.300 -0.146 0.000 1.125 92 R HN 0.038 nan 8.270 nan 0.000 0.434 93 T N 1.884 116.444 114.554 0.010 0.000 2.771 93 T HA 0.361 4.712 4.350 0.001 0.000 0.281 93 T C -2.274 172.473 174.700 0.077 0.000 0.982 93 T CA -1.508 60.611 62.100 0.032 0.000 0.978 93 T CB 1.824 70.715 68.868 0.038 0.000 0.930 93 T HN 0.012 nan 8.240 nan 0.000 0.447 94 P HA 0.344 nan 4.420 nan 0.000 0.274 94 P C -1.001 176.338 177.300 0.065 0.000 1.470 94 P CA -0.288 62.858 63.100 0.077 0.000 1.001 94 P CB 0.234 31.967 31.700 0.054 0.000 1.332 95 V N 5.372 125.335 119.914 0.081 0.000 2.531 95 V HA 0.260 4.380 4.120 0.001 0.000 0.301 95 V C -0.001 176.084 176.094 -0.015 0.000 1.034 95 V CA -0.933 61.335 62.300 -0.053 0.000 0.865 95 V CB 2.308 33.992 31.823 -0.231 0.000 0.995 95 V HN 0.292 nan 8.190 nan 0.000 0.424 96 L N 5.687 126.866 121.223 -0.074 0.000 2.261 96 L HA 0.578 4.918 4.340 0.001 0.000 0.289 96 L C -0.885 175.923 176.870 -0.104 0.000 1.059 96 L CA 0.264 55.114 54.840 0.017 0.000 0.816 96 L CB 0.192 42.277 42.059 0.044 0.000 1.191 96 L HN 0.457 nan 8.230 nan 0.000 0.431 97 F N 6.141 126.135 119.950 0.073 0.000 2.390 97 F HA 0.380 4.908 4.527 0.001 0.000 0.361 97 F C 0.008 175.842 175.800 0.057 0.000 1.124 97 F CA -0.361 57.677 58.000 0.062 0.000 1.149 97 F CB 0.651 39.693 39.000 0.069 0.000 1.160 97 F HN 0.265 nan 8.300 nan 0.000 0.501 98 L N 3.632 124.953 121.223 0.163 0.000 2.265 98 L HA 0.425 4.765 4.340 0.001 0.000 0.288 98 L C 0.318 177.266 176.870 0.129 0.000 1.058 98 L CA -0.229 54.679 54.840 0.113 0.000 0.809 98 L CB 1.287 43.379 42.059 0.056 0.000 1.179 98 L HN 0.522 nan 8.230 nan 0.000 0.429 99 T N 2.173 116.792 114.554 0.107 0.000 2.863 99 T HA 0.625 4.976 4.350 0.001 0.000 0.285 99 T C 0.250 174.960 174.700 0.017 0.000 1.009 99 T CA -0.376 61.778 62.100 0.090 0.000 0.989 99 T CB 1.522 70.484 68.868 0.156 0.000 1.004 99 T HN 0.684 nan 8.240 nan 0.000 0.455 100 G N 2.027 110.821 108.800 -0.009 0.000 2.599 100 G HA2 0.560 4.521 3.960 0.001 0.000 0.264 100 G HA3 0.560 4.521 3.960 0.001 0.000 0.264 100 G C -0.301 174.557 174.900 -0.069 0.000 1.200 100 G CA 0.042 45.122 45.100 -0.034 0.000 0.896 100 G HN 1.235 nan 8.290 nan 0.000 0.536 101 S N -1.727 113.967 115.700 -0.010 0.000 2.643 101 S HA 0.686 5.156 4.470 0.001 0.000 0.270 101 S C 0.071 174.755 174.600 0.140 0.000 1.166 101 S CA -0.227 57.958 58.200 -0.026 0.000 0.815 101 S CB 0.896 64.045 63.200 -0.085 0.000 1.139 101 S HN 1.489 nan 8.310 nan 0.000 0.472 102 G N 0.299 109.163 108.800 0.106 0.000 2.484 102 G HA2 0.491 4.451 3.960 0.001 0.000 0.235 102 G HA3 0.491 4.451 3.960 0.001 0.000 0.235 102 G C 0.453 175.467 174.900 0.190 0.000 1.282 102 G CA -0.149 45.072 45.100 0.202 0.000 0.857 102 G HN 1.404 nan 8.290 nan 0.000 0.571 103 A N 1.646 124.599 122.820 0.221 0.000 2.511 103 A HA 0.285 4.606 4.320 0.001 0.000 0.242 103 A C 1.605 179.222 177.584 0.055 0.000 1.069 103 A CA -0.369 51.744 52.037 0.126 0.000 0.763 103 A CB 0.197 19.222 19.000 0.042 0.000 1.001 103 A HN 0.735 nan 8.150 nan 0.000 0.498 104 L N 2.080 123.320 121.223 0.030 0.000 2.079 104 L HA -0.229 4.112 4.340 0.001 0.000 0.210 104 L C 2.751 179.618 176.870 -0.005 0.000 1.081 104 L CA 2.095 56.938 54.840 0.005 0.000 0.752 104 L CB -0.560 41.496 42.059 -0.005 0.000 0.896 104 L HN 0.985 nan 8.230 nan 0.000 0.433 105 R N -0.568 119.923 120.500 -0.015 0.000 2.189 105 R HA -0.085 4.255 4.340 0.001 0.000 0.223 105 R C 0.379 176.666 176.300 -0.023 0.000 1.092 105 R CA 1.242 57.326 56.100 -0.027 0.000 0.989 105 R CB -0.313 29.959 30.300 -0.046 0.000 0.876 105 R HN 0.267 nan 8.270 nan 0.000 0.457 106 D N 1.031 121.425 120.400 -0.011 0.000 2.463 106 D HA 0.057 4.697 4.640 0.001 0.000 0.224 106 D C -0.729 175.577 176.300 0.012 0.000 1.174 106 D CA -0.195 53.804 54.000 -0.002 0.000 0.829 106 D CB 0.006 40.808 40.800 0.002 0.000 0.993 106 D HN 0.180 nan 8.370 nan 0.000 0.497 107 D N 1.650 122.054 120.400 0.006 0.000 2.525 107 D HA -0.088 4.552 4.640 0.001 0.000 0.235 107 D C 0.648 176.949 176.300 0.002 0.000 1.137 107 D CA 0.779 54.781 54.000 0.004 0.000 0.868 107 D CB 0.515 41.312 40.800 -0.005 0.000 1.180 107 D HN -0.129 nan 8.370 nan 0.000 0.465 108 E N 1.572 121.773 120.200 0.002 0.000 2.513 108 E HA -0.190 4.161 4.350 0.001 0.000 0.257 108 E C 0.280 176.881 176.600 0.003 0.000 1.098 108 E CA 1.134 57.534 56.400 -0.000 0.000 0.752 108 E CB -2.160 27.537 29.700 -0.004 0.000 1.324 108 E HN 0.637 nan 8.360 nan 0.000 0.403 109 T N -3.226 111.334 114.554 0.009 0.000 3.174 109 T HA 0.164 4.514 4.350 0.001 0.000 0.269 109 T C 0.571 175.279 174.700 0.015 0.000 1.017 109 T CA 0.031 62.137 62.100 0.010 0.000 0.899 109 T CB 0.158 69.032 68.868 0.010 0.000 1.077 109 T HN 0.082 nan 8.240 nan 0.000 0.552 110 N N 1.291 120.000 118.700 0.015 0.000 2.727 110 N HA -0.131 4.610 4.740 0.001 0.000 0.249 110 N C -0.079 175.446 175.510 0.026 0.000 1.048 110 N CA 1.234 54.293 53.050 0.016 0.000 0.714 110 N CB -1.636 36.858 38.487 0.011 0.000 0.959 110 N HN 0.646 nan 8.380 nan 0.000 0.544 111 T N -0.335 114.242 114.554 0.039 0.000 2.897 111 T HA 0.491 4.842 4.350 0.001 0.000 0.278 111 T C 0.321 175.064 174.700 0.072 0.000 0.981 111 T CA -0.768 61.367 62.100 0.058 0.000 0.973 111 T CB 0.867 69.779 68.868 0.073 0.000 1.092 111 T HN 0.196 nan 8.240 nan 0.000 0.543 112 L N 2.839 124.120 121.223 0.098 0.000 2.601 112 L HA 0.127 4.468 4.340 0.001 0.000 0.277 112 L C 1.028 177.958 176.870 0.100 0.000 1.219 112 L CA 1.244 56.144 54.840 0.100 0.000 0.915 112 L CB -0.503 41.639 42.059 0.138 0.000 1.160 112 L HN 0.952 nan 8.230 nan 0.000 0.494 113 Q N 1.403 121.215 119.800 0.019 0.000 2.406 113 Q HA -0.259 4.082 4.340 0.001 0.000 0.236 113 Q C 0.029 176.001 176.000 -0.046 0.000 0.799 113 Q CA 1.100 56.865 55.803 -0.063 0.000 1.286 113 Q CB -1.572 27.027 28.738 -0.231 0.000 1.615 113 Q HN 0.901 nan 8.270 nan 0.000 0.621 114 A N -0.942 121.886 122.820 0.015 0.000 2.281 114 A HA 0.745 5.066 4.320 0.001 0.000 0.329 114 A C 1.283 178.863 177.584 -0.006 0.000 1.122 114 A CA 0.492 52.540 52.037 0.018 0.000 0.850 114 A CB 1.075 20.110 19.000 0.058 0.000 1.207 114 A HN 0.837 nan 8.150 nan 0.000 0.495 115 G N -0.830 107.958 108.800 -0.019 0.000 2.176 115 G HA2 -0.143 3.818 3.960 0.001 0.000 0.232 115 G HA3 -0.143 3.818 3.960 0.001 0.000 0.232 115 G C -0.038 174.840 174.900 -0.038 0.000 0.986 115 G CA 0.150 45.235 45.100 -0.024 0.000 0.643 115 G HN 0.657 nan 8.290 nan 0.000 0.522 116 I N 1.780 122.318 120.570 -0.053 0.000 2.342 116 I HA 0.291 4.462 4.170 0.001 0.000 0.291 116 I C -0.033 176.012 176.117 -0.121 0.000 1.010 116 I CA -1.268 59.995 61.300 -0.061 0.000 1.308 116 I CB 1.326 39.308 38.000 -0.031 0.000 1.400 116 I HN 0.032 nan 8.210 nan 0.000 0.488 117 D N 6.336 126.671 120.400 -0.108 0.000 2.498 117 D HA 0.074 4.715 4.640 0.001 0.000 0.229 117 D C 1.125 177.287 176.300 -0.230 0.000 1.188 117 D CA 0.090 54.001 54.000 -0.148 0.000 1.028 117 D CB 0.513 41.253 40.800 -0.100 0.000 1.087 117 D HN 0.469 nan 8.370 nan 0.000 0.510 118 Q N 1.032 120.581 119.800 -0.418 0.000 2.119 118 Q HA -0.093 4.248 4.340 0.001 0.000 0.201 118 Q C 2.055 177.678 176.000 -0.628 0.000 0.972 118 Q CA 0.937 56.205 55.803 -0.892 0.000 0.847 118 Q CB 0.293 28.191 28.738 -1.400 0.000 0.903 118 Q HN 0.347 nan 8.270 nan 0.000 0.433 119 V N 1.230 120.894 119.914 -0.416 0.000 2.287 119 V HA -0.305 3.815 4.120 0.001 0.000 0.248 119 V C 2.312 178.296 176.094 -0.183 0.000 1.053 119 V CA 1.909 64.039 62.300 -0.283 0.000 1.027 119 V CB -1.013 30.647 31.823 -0.270 0.000 0.646 119 V HN 0.416 nan 8.190 nan 0.000 0.447 120 A N -0.711 122.017 122.820 -0.152 0.000 1.933 120 A HA -0.232 4.089 4.320 0.001 0.000 0.218 120 A C 2.231 179.775 177.584 -0.066 0.000 1.175 120 A CA 2.196 54.176 52.037 -0.096 0.000 0.628 120 A CB -0.482 18.472 19.000 -0.077 0.000 0.814 120 A HN 0.514 nan 8.150 nan 0.000 0.444 121 M N -0.846 118.732 119.600 -0.036 0.000 2.229 121 M HA -0.090 4.391 4.480 0.001 0.000 0.264 121 M C 2.312 178.639 176.300 0.046 0.000 1.063 121 M CA 1.348 56.678 55.300 0.051 0.000 1.114 121 M CB -0.219 32.508 32.600 0.211 0.000 1.387 121 M HN 0.474 nan 8.290 nan 0.000 0.420 122 A N -0.150 122.702 122.820 0.053 0.000 2.132 122 A HA 0.288 4.609 4.320 0.001 0.000 0.213 122 A C 2.295 179.791 177.584 -0.148 0.000 1.154 122 A CA 0.970 52.995 52.037 -0.019 0.000 0.753 122 A CB -0.534 18.494 19.000 0.047 0.000 0.826 122 A HN 0.421 nan 8.150 nan 0.000 0.469 123 A N 1.191 123.929 122.820 -0.136 0.000 1.917 123 A HA -0.097 4.224 4.320 0.001 0.000 0.219 123 A C 0.074 177.511 177.584 -0.246 0.000 1.182 123 A CA 2.010 53.954 52.037 -0.155 0.000 0.633 123 A CB -1.642 17.297 19.000 -0.102 0.000 0.819 123 A HN 0.465 nan 8.150 nan 0.000 0.448 124 P HA 0.020 nan 4.420 nan 0.000 0.233 124 P C 0.684 177.555 177.300 -0.715 0.000 1.167 124 P CA 0.793 63.696 63.100 -0.329 0.000 0.770 124 P CB -0.085 31.499 31.700 -0.194 0.000 0.837 125 I N -4.842 115.246 120.570 -0.803 0.000 3.621 125 I HA 0.349 4.519 4.170 0.001 0.000 0.325 125 I C -0.498 175.094 176.117 -0.876 0.000 1.554 125 I CA -0.535 60.047 61.300 -1.197 0.000 1.053 125 I CB 0.263 37.958 38.000 -0.508 0.000 1.302 125 I HN -0.253 nan 8.210 nan 0.000 0.518 126 T N -3.388 110.687 114.554 -0.800 0.000 2.903 126 T HA 0.456 4.807 4.350 0.001 0.000 0.299 126 T C 0.393 175.086 174.700 -0.011 0.000 1.093 126 T CA -0.808 61.178 62.100 -0.191 0.000 1.002 126 T CB 2.644 71.484 68.868 -0.048 0.000 1.127 126 T HN 0.092 nan 8.240 nan 0.000 0.488 127 K N -0.425 120.208 120.400 0.388 0.000 2.148 127 K HA 0.067 4.387 4.320 0.001 0.000 0.204 127 K C -0.169 176.656 176.600 0.375 0.000 1.050 127 K CA 0.970 57.506 56.287 0.416 0.000 0.942 127 K CB 0.104 32.827 32.500 0.371 0.000 0.724 127 K HN 0.639 nan 8.250 nan 0.000 0.446 128 W N -0.750 120.608 121.300 0.098 0.000 3.479 128 W HA 0.464 5.124 4.660 0.000 0.000 0.304 128 W C -2.164 174.397 176.519 0.071 0.000 1.243 128 W CA -0.936 56.450 57.345 0.070 0.000 1.202 128 W CB 1.324 30.826 29.460 0.069 0.000 1.346 128 W HN -0.155 nan 8.180 nan 0.000 0.539 129 A N 3.892 126.442 122.820 -0.450 0.000 2.459 129 A HA 0.692 5.012 4.320 0.001 0.000 0.296 129 A C -2.254 174.916 177.584 -0.690 0.000 1.039 129 A CA -0.418 51.328 52.037 -0.485 0.000 0.698 129 A CB 1.556 20.416 19.000 -0.233 0.000 1.261 129 A HN 0.860 nan 8.150 nan 0.000 0.405 130 H N 0.341 118.915 119.070 -0.826 0.000 3.085 130 H HA 0.587 5.144 4.556 0.001 0.000 0.356 130 H C -0.826 174.271 175.328 -0.386 0.000 1.178 130 H CA -0.353 55.288 56.048 -0.679 0.000 1.214 130 H CB 1.354 30.464 29.762 -1.086 0.000 1.881 130 H HN 0.759 nan 8.280 nan 0.000 0.538 131 R N 4.009 124.081 120.500 -0.714 0.000 2.255 131 R HA 0.486 4.826 4.340 0.001 0.000 0.326 131 R C -1.037 175.077 176.300 -0.310 0.000 0.986 131 R CA -0.736 55.119 56.100 -0.408 0.000 0.847 131 R CB 0.773 30.874 30.300 -0.332 0.000 1.111 131 R HN 0.385 nan 8.270 nan 0.000 0.452 132 V N 6.471 126.347 119.914 -0.063 0.000 2.555 132 V HA 0.026 4.146 4.120 0.001 0.000 0.286 132 V C 1.116 177.243 176.094 0.054 0.000 1.044 132 V CA 0.081 62.435 62.300 0.091 0.000 1.026 132 V CB 1.474 33.367 31.823 0.117 0.000 0.981 132 V HN 0.887 nan 8.190 nan 0.000 0.480 133 M N 3.218 122.893 119.600 0.125 0.000 2.461 133 M HA 0.379 4.860 4.480 0.001 0.000 0.255 133 M C 0.475 176.748 176.300 -0.046 0.000 1.137 133 M CA 0.450 55.785 55.300 0.058 0.000 1.086 133 M CB 0.411 33.086 32.600 0.125 0.000 1.356 133 M HN 0.730 nan 8.290 nan 0.000 0.487 134 A N -0.519 122.200 122.820 -0.169 0.000 2.488 134 A HA 0.544 4.864 4.320 0.001 0.000 0.298 134 A C 0.775 178.214 177.584 -0.242 0.000 1.044 134 A CA -0.446 51.381 52.037 -0.351 0.000 0.693 134 A CB 0.628 19.157 19.000 -0.785 0.000 1.272 134 A HN 0.155 nan 8.150 nan 0.000 0.402 135 T N 0.554 115.033 114.554 -0.126 0.000 2.699 135 T HA -0.139 4.211 4.350 0.001 0.000 0.268 135 T C 1.768 176.451 174.700 -0.029 0.000 1.036 135 T CA 2.278 64.351 62.100 -0.045 0.000 1.147 135 T CB -0.029 68.824 68.868 -0.024 0.000 0.862 135 T HN 0.711 nan 8.240 nan 0.000 0.446 136 E N 0.279 120.436 120.200 -0.072 0.000 2.333 136 E HA -0.105 4.245 4.350 0.001 0.000 0.198 136 E C 1.733 178.410 176.600 0.127 0.000 1.007 136 E CA 0.627 57.033 56.400 0.011 0.000 0.845 136 E CB -0.550 29.156 29.700 0.010 0.000 0.766 136 E HN 0.822 nan 8.360 nan 0.000 0.507 137 H N -1.008 118.095 119.070 0.054 0.000 2.548 137 H HA 0.215 4.772 4.556 0.001 0.000 0.268 137 H C 2.037 177.410 175.328 0.075 0.000 0.975 137 H CA 0.334 56.422 56.048 0.068 0.000 1.195 137 H CB 0.006 29.823 29.762 0.091 0.000 1.397 137 H HN 0.225 nan 8.280 nan 0.000 0.572 138 I N 1.279 121.952 120.570 0.170 0.000 2.127 138 I HA -0.209 3.962 4.170 0.001 0.000 0.241 138 I C -0.626 175.557 176.117 0.110 0.000 1.075 138 I CA 1.269 62.646 61.300 0.128 0.000 1.334 138 I CB -0.879 37.172 38.000 0.085 0.000 1.040 138 I HN 0.211 nan 8.210 nan 0.000 0.405 139 P HA -0.178 nan 4.420 nan 0.000 0.216 139 P C 1.259 178.599 177.300 0.066 0.000 1.153 139 P CA 1.471 64.609 63.100 0.063 0.000 0.848 139 P CB -0.204 31.523 31.700 0.046 0.000 0.787 140 R N -0.073 120.471 120.500 0.073 0.000 2.115 140 R HA -0.024 4.317 4.340 0.001 0.000 0.230 140 R C 2.005 178.346 176.300 0.068 0.000 1.111 140 R CA 1.330 57.460 56.100 0.050 0.000 0.976 140 R CB -1.479 28.838 30.300 0.029 0.000 0.870 140 R HN 0.190 nan 8.270 nan 0.000 0.445 141 L N 0.936 122.235 121.223 0.125 0.000 2.131 141 L HA -0.035 4.306 4.340 0.001 0.000 0.206 141 L C 2.499 179.505 176.870 0.227 0.000 1.087 141 L CA 0.462 55.427 54.840 0.208 0.000 0.767 141 L CB -0.263 41.962 42.059 0.277 0.000 0.917 141 L HN 0.033 nan 8.230 nan 0.000 0.441 142 V N -0.261 119.748 119.914 0.158 0.000 2.295 142 V HA -0.338 3.783 4.120 0.001 0.000 0.246 142 V C 2.510 178.672 176.094 0.112 0.000 1.049 142 V CA 1.915 64.294 62.300 0.132 0.000 1.024 142 V CB -0.357 31.516 31.823 0.083 0.000 0.648 142 V HN 0.356 nan 8.190 nan 0.000 0.447 143 M N -0.414 119.231 119.600 0.075 0.000 2.117 143 M HA -0.184 4.297 4.480 0.001 0.000 0.262 143 M C 2.177 178.498 176.300 0.035 0.000 1.065 143 M CA 1.750 57.076 55.300 0.044 0.000 1.114 143 M CB -0.765 31.848 32.600 0.022 0.000 1.361 143 M HN 0.372 nan 8.290 nan 0.000 0.408 144 Q N -0.912 118.904 119.800 0.026 0.000 2.096 144 Q HA -0.185 4.156 4.340 0.001 0.000 0.204 144 Q C 1.900 177.899 176.000 -0.002 0.000 0.982 144 Q CA 1.982 57.749 55.803 -0.060 0.000 0.850 144 Q CB -0.199 28.441 28.738 -0.164 0.000 0.901 144 Q HN 0.605 nan 8.270 nan 0.000 0.422 145 A N 0.568 123.517 122.820 0.214 0.000 1.902 145 A HA -0.170 4.151 4.320 0.001 0.000 0.217 145 A C 1.966 179.670 177.584 0.201 0.000 1.181 145 A CA 1.306 53.559 52.037 0.361 0.000 0.623 145 A CB -0.634 18.614 19.000 0.413 0.000 0.818 145 A HN 0.478 nan 8.150 nan 0.000 0.443 146 I N -0.928 119.719 120.570 0.128 0.000 2.226 146 I HA -0.269 3.901 4.170 0.001 0.000 0.245 146 I C 2.771 178.924 176.117 0.060 0.000 1.100 146 I CA 1.323 62.675 61.300 0.086 0.000 1.374 146 I CB -0.356 37.679 38.000 0.059 0.000 1.057 146 I HN 0.298 nan 8.210 nan 0.000 0.413 147 R N 0.726 121.244 120.500 0.030 0.000 2.096 147 R HA -0.144 4.197 4.340 0.001 0.000 0.235 147 R C 2.455 178.760 176.300 0.009 0.000 1.127 147 R CA 1.468 57.569 56.100 0.001 0.000 0.968 147 R CB -0.476 29.803 30.300 -0.034 0.000 0.861 147 R HN 0.376 nan 8.270 nan 0.000 0.440 148 A N 1.325 124.157 122.820 0.020 0.000 1.877 148 A HA -0.126 4.194 4.320 0.001 0.000 0.216 148 A C 2.381 180.028 177.584 0.104 0.000 1.186 148 A CA 1.761 53.829 52.037 0.052 0.000 0.620 148 A CB -0.611 18.448 19.000 0.098 0.000 0.822 148 A HN 0.398 nan 8.150 nan 0.000 0.443 149 A N -0.639 122.258 122.820 0.128 0.000 1.930 149 A HA 0.059 4.380 4.320 0.001 0.000 0.217 149 A C 2.072 179.707 177.584 0.085 0.000 1.175 149 A CA 1.392 53.508 52.037 0.132 0.000 0.627 149 A CB -0.463 18.620 19.000 0.138 0.000 0.815 149 A HN 0.455 nan 8.150 nan 0.000 0.443 150 L N 0.531 121.790 121.223 0.059 0.000 2.418 150 L HA 0.025 4.366 4.340 0.001 0.000 0.218 150 L C 1.223 178.105 176.870 0.020 0.000 1.125 150 L CA 0.336 55.197 54.840 0.034 0.000 0.835 150 L CB -0.217 41.855 42.059 0.023 0.000 0.953 150 L HN 0.483 nan 8.230 nan 0.000 0.454 151 S N 0.018 115.731 115.700 0.022 0.000 2.632 151 S HA 0.599 5.069 4.470 0.001 0.000 0.271 151 S C 0.121 174.728 174.600 0.012 0.000 1.260 151 S CA -0.777 57.429 58.200 0.010 0.000 1.010 151 S CB 1.820 65.023 63.200 0.004 0.000 0.965 151 S HN 0.106 nan 8.310 nan 0.000 0.534 152 A N 2.565 125.386 122.820 0.003 0.000 2.401 152 A HA 0.603 4.923 4.320 0.001 0.000 0.259 152 A C -2.168 175.416 177.584 0.000 0.000 1.103 152 A CA -1.576 50.459 52.037 -0.003 0.000 0.789 152 A CB -0.578 18.417 19.000 -0.008 0.000 1.035 152 A HN 0.744 nan 8.150 nan 0.000 0.491 153 P HA 0.350 nan 4.420 nan 0.000 0.280 153 P C -0.448 176.844 177.300 -0.013 0.000 1.244 153 P CA -0.454 62.629 63.100 -0.028 0.000 0.784 153 P CB 0.728 32.391 31.700 -0.061 0.000 0.913 154 R N 1.096 121.589 120.500 -0.012 0.000 2.784 154 R HA 0.600 4.940 4.340 0.001 0.000 0.266 154 R C 1.057 177.376 176.300 0.031 0.000 1.044 154 R CA 1.025 57.136 56.100 0.018 0.000 1.151 154 R CB -0.230 30.075 30.300 0.010 0.000 1.037 154 R HN 0.857 nan 8.270 nan 0.000 0.478 155 G N 0.909 109.767 108.800 0.097 0.000 2.356 155 G HA2 0.342 4.302 3.960 0.001 0.000 0.294 155 G HA3 0.342 4.302 3.960 0.001 0.000 0.294 155 G C -3.058 171.995 174.900 0.255 0.000 1.423 155 G CA -1.004 44.198 45.100 0.170 0.000 0.806 155 G HN 0.436 nan 8.290 nan 0.000 0.527 156 P HA 0.588 nan 4.420 nan 0.000 0.281 156 P C -0.734 176.784 177.300 0.364 0.000 1.249 156 P CA -0.448 62.894 63.100 0.403 0.000 0.810 156 P CB 2.127 34.121 31.700 0.490 0.000 1.008 157 V N 2.925 123.061 119.914 0.369 0.000 2.789 157 V HA 0.372 4.492 4.120 0.001 0.000 0.311 157 V C -0.188 176.078 176.094 0.286 0.000 1.073 157 V CA -0.819 61.664 62.300 0.306 0.000 0.921 157 V CB 2.113 34.135 31.823 0.333 0.000 1.009 157 V HN 0.418 nan 8.190 nan 0.000 0.426 158 L N 4.736 126.037 121.223 0.130 0.000 2.305 158 L HA 0.622 4.962 4.340 0.001 0.000 0.284 158 L C -1.055 175.783 176.870 -0.053 0.000 1.013 158 L CA -0.018 54.874 54.840 0.087 0.000 0.819 158 L CB 1.184 43.258 42.059 0.025 0.000 1.227 158 L HN 0.607 nan 8.230 nan 0.000 0.417 159 L N 5.078 126.307 121.223 0.010 0.000 2.319 159 L HA 0.445 4.785 4.340 0.001 0.000 0.281 159 L C -1.142 175.706 176.870 -0.037 0.000 1.005 159 L CA -0.439 54.370 54.840 -0.051 0.000 0.828 159 L CB 1.517 43.597 42.059 0.036 0.000 1.227 159 L HN 0.656 nan 8.230 nan 0.000 0.415 160 D N 5.988 126.324 120.400 -0.107 0.000 2.274 160 D HA 0.328 4.969 4.640 0.001 0.000 0.239 160 D C -0.969 175.293 176.300 -0.064 0.000 1.104 160 D CA -0.224 53.708 54.000 -0.113 0.000 0.840 160 D CB 1.426 42.097 40.800 -0.215 0.000 1.100 160 D HN 0.391 nan 8.370 nan 0.000 0.477 161 L N 5.918 127.128 121.223 -0.020 0.000 2.366 161 L HA 0.341 4.681 4.340 0.001 0.000 0.266 161 L C -2.246 174.653 176.870 0.048 0.000 1.010 161 L CA -1.848 53.005 54.840 0.022 0.000 0.879 161 L CB 1.940 44.026 42.059 0.044 0.000 1.228 161 L HN 0.175 nan 8.230 nan 0.000 0.439 162 P HA -0.107 nan 4.420 nan 0.000 0.267 162 P C 0.112 177.535 177.300 0.205 0.000 1.200 162 P CA -0.120 63.043 63.100 0.105 0.000 0.772 162 P CB 0.620 32.357 31.700 0.063 0.000 0.855 163 W N 4.055 125.376 121.300 0.035 0.000 2.318 163 W HA -0.218 4.443 4.660 0.001 0.000 0.313 163 W C 1.468 177.967 176.519 -0.033 0.000 1.221 163 W CA 2.553 59.891 57.345 -0.011 0.000 1.266 163 W CB -1.053 28.340 29.460 -0.111 0.000 1.150 163 W HN 0.466 nan 8.180 nan 0.000 0.496 164 D N -0.385 120.095 120.400 0.132 0.000 2.178 164 D HA -0.213 4.427 4.640 0.001 0.000 0.201 164 D C 2.019 178.332 176.300 0.022 0.000 0.980 164 D CA 1.465 55.452 54.000 -0.020 0.000 0.842 164 D CB -1.138 39.624 40.800 -0.063 0.000 0.948 164 D HN 0.113 nan 8.370 nan 0.000 0.472 165 I N 0.536 121.140 120.570 0.057 0.000 2.286 165 I HA -0.143 4.027 4.170 0.001 0.000 0.248 165 I C 2.521 178.677 176.117 0.064 0.000 1.115 165 I CA 0.660 61.985 61.300 0.042 0.000 1.392 165 I CB -0.729 37.294 38.000 0.039 0.000 1.065 165 I HN 0.103 nan 8.210 nan 0.000 0.418 166 L N -0.846 120.448 121.223 0.117 0.000 2.131 166 L HA -0.085 4.256 4.340 0.001 0.000 0.206 166 L C 2.559 179.503 176.870 0.124 0.000 1.087 166 L CA 0.867 55.785 54.840 0.130 0.000 0.767 166 L CB -0.294 41.869 42.059 0.175 0.000 0.917 166 L HN 0.151 nan 8.230 nan 0.000 0.441 167 M N -0.716 118.958 119.600 0.123 0.000 2.349 167 M HA -0.075 4.405 4.480 0.001 0.000 0.266 167 M C 0.701 177.008 176.300 0.012 0.000 1.076 167 M CA 0.287 55.621 55.300 0.058 0.000 1.126 167 M CB -0.364 32.209 32.600 -0.046 0.000 1.392 167 M HN 0.172 nan 8.290 nan 0.000 0.440 168 N N 2.305 121.006 118.700 0.002 0.000 2.353 168 N HA -0.045 4.695 4.740 0.001 0.000 0.248 168 N C -0.876 174.636 175.510 0.003 0.000 1.240 168 N CA 0.843 53.887 53.050 -0.010 0.000 0.862 168 N CB 0.512 38.989 38.487 -0.015 0.000 1.086 168 N HN 0.216 nan 8.380 nan 0.000 0.453 169 Q N 1.858 121.656 119.800 -0.003 0.000 2.282 169 Q HA 0.590 4.931 4.340 0.001 0.000 0.260 169 Q C -0.361 175.641 176.000 0.002 0.000 0.964 169 Q CA -0.746 55.060 55.803 0.005 0.000 0.880 169 Q CB 1.739 30.480 28.738 0.004 0.000 1.286 169 Q HN 0.674 nan 8.270 nan 0.000 0.445 170 I N -2.489 118.086 120.570 0.009 0.000 3.074 170 I HA 0.505 4.676 4.170 0.001 0.000 0.310 170 I C -0.817 175.307 176.117 0.012 0.000 1.153 170 I CA -1.266 60.038 61.300 0.007 0.000 0.993 170 I CB 2.159 40.163 38.000 0.006 0.000 1.237 170 I HN 0.354 nan 8.210 nan 0.000 0.443 171 D N 3.287 123.693 120.400 0.010 0.000 2.401 171 D HA -0.016 4.624 4.640 0.001 0.000 0.254 171 D C 1.189 177.499 176.300 0.017 0.000 1.192 171 D CA 0.254 54.262 54.000 0.013 0.000 0.885 171 D CB 1.162 41.968 40.800 0.010 0.000 1.147 171 D HN 0.790 nan 8.370 nan 0.000 0.478 172 E N 2.611 122.822 120.200 0.020 0.000 2.209 172 E HA -0.225 4.125 4.350 0.001 0.000 0.196 172 E C 0.285 176.898 176.600 0.021 0.000 0.993 172 E CA 0.971 57.385 56.400 0.023 0.000 0.819 172 E CB 0.059 29.776 29.700 0.028 0.000 0.745 172 E HN 0.399 nan 8.360 nan 0.000 0.477 173 D N 0.982 121.393 120.400 0.018 0.000 2.349 173 D HA -0.041 4.599 4.640 0.001 0.000 0.224 173 D C 1.627 177.937 176.300 0.017 0.000 1.029 173 D CA 1.028 55.038 54.000 0.017 0.000 0.879 173 D CB 0.356 41.165 40.800 0.014 0.000 0.906 173 D HN 0.329 nan 8.370 nan 0.000 0.528 174 S N -0.677 115.034 115.700 0.018 0.000 2.558 174 S HA 0.109 4.579 4.470 0.001 0.000 0.217 174 S C 0.632 175.246 174.600 0.024 0.000 0.975 174 S CA -0.281 57.931 58.200 0.019 0.000 0.912 174 S CB 0.476 63.686 63.200 0.017 0.000 0.776 174 S HN -0.108 nan 8.310 nan 0.000 0.526 175 V N 2.665 122.595 119.914 0.026 0.000 2.577 175 V HA 0.521 4.641 4.120 0.001 0.000 0.303 175 V C -0.397 175.714 176.094 0.028 0.000 1.042 175 V CA -1.203 61.117 62.300 0.032 0.000 0.872 175 V CB 1.689 33.534 31.823 0.037 0.000 0.998 175 V HN 0.538 nan 8.190 nan 0.000 0.423 176 I N 4.329 124.916 120.570 0.028 0.000 2.472 176 I HA 0.525 4.695 4.170 0.001 0.000 0.290 176 I C -0.385 175.745 176.117 0.022 0.000 1.016 176 I CA 0.257 61.570 61.300 0.021 0.000 1.348 176 I CB 0.793 38.803 38.000 0.017 0.000 1.417 176 I HN 0.369 nan 8.210 nan 0.000 0.521 177 I N 8.075 128.655 120.570 0.016 0.000 2.301 177 I HA 0.360 4.531 4.170 0.001 0.000 0.292 177 I C -1.991 174.130 176.117 0.008 0.000 1.046 177 I CA -2.007 59.300 61.300 0.012 0.000 1.282 177 I CB 0.042 38.043 38.000 0.003 0.000 1.409 177 I HN 0.539 nan 8.210 nan 0.000 0.484 178 P HA 0.154 nan 4.420 nan 0.000 0.272 178 P C -0.354 176.946 177.300 0.000 0.000 1.240 178 P CA -0.313 62.789 63.100 0.004 0.000 0.791 178 P CB 1.328 33.031 31.700 0.004 0.000 0.978 179 D N 0.291 120.689 120.400 -0.003 0.000 2.354 179 D HA 0.141 4.781 4.640 0.001 0.000 0.247 179 D C -0.055 176.241 176.300 -0.007 0.000 1.138 179 D CA -0.124 53.873 54.000 -0.005 0.000 0.958 179 D CB 0.741 41.537 40.800 -0.006 0.000 1.144 179 D HN 0.172 nan 8.370 nan 0.000 0.458 180 L N 2.174 123.392 121.223 -0.008 0.000 2.385 180 L HA 0.145 4.485 4.340 0.001 0.000 0.285 180 L C -0.880 175.981 176.870 -0.016 0.000 1.125 180 L CA -0.144 54.690 54.840 -0.010 0.000 0.890 180 L CB 0.109 42.164 42.059 -0.007 0.000 1.251 180 L HN 0.016 nan 8.230 nan 0.000 0.445 181 V N 6.871 126.774 119.914 -0.018 0.000 2.275 181 V HA 0.500 4.621 4.120 0.001 0.000 0.272 181 V C -0.499 175.580 176.094 -0.025 0.000 1.028 181 V CA -0.489 61.799 62.300 -0.020 0.000 0.810 181 V CB 0.949 32.763 31.823 -0.016 0.000 1.043 181 V HN 0.614 nan 8.190 nan 0.000 0.453 182 L N 4.085 125.289 121.223 -0.032 0.000 2.710 182 L HA 0.514 4.854 4.340 0.001 0.000 0.262 182 L C -0.100 176.736 176.870 -0.056 0.000 0.940 182 L CA 0.152 54.970 54.840 -0.036 0.000 0.944 182 L CB 2.184 44.223 42.059 -0.032 0.000 1.348 182 L HN 0.501 nan 8.230 nan 0.000 0.425 183 S N 3.206 118.873 115.700 -0.054 0.000 2.552 183 S HA 0.421 4.891 4.470 0.001 0.000 0.289 183 S C 1.446 175.950 174.600 -0.161 0.000 1.304 183 S CA 0.382 58.523 58.200 -0.099 0.000 1.063 183 S CB 1.065 64.249 63.200 -0.027 0.000 0.848 183 S HN 1.015 nan 8.310 nan 0.000 0.499 184 A N 4.694 127.316 122.820 -0.331 0.000 2.119 184 A HA 0.104 4.424 4.320 0.001 0.000 0.216 184 A C 0.616 178.025 177.584 -0.291 0.000 1.152 184 A CA 0.524 52.367 52.037 -0.323 0.000 0.708 184 A CB -0.373 18.410 19.000 -0.361 0.000 0.805 184 A HN 0.919 nan 8.150 nan 0.000 0.460 185 H N 0.130 119.193 119.070 -0.012 0.000 2.517 185 H HA 0.442 4.998 4.556 0.001 0.000 0.317 185 H C 0.717 176.035 175.328 -0.016 0.000 1.080 185 H CA -0.268 55.771 56.048 -0.015 0.000 1.301 185 H CB 0.685 30.438 29.762 -0.015 0.000 1.425 185 H HN 0.215 nan 8.280 nan 0.000 0.471 186 G N 1.242 110.092 108.800 0.083 0.000 2.572 186 G HA2 0.383 4.343 3.960 0.001 0.000 0.261 186 G HA3 0.383 4.343 3.960 0.001 0.000 0.261 186 G C 0.048 174.970 174.900 0.036 0.000 1.197 186 G CA -0.264 44.859 45.100 0.037 0.000 0.870 186 G HN 0.796 nan 8.290 nan 0.000 0.548 187 A N 0.603 123.434 122.820 0.018 0.000 2.445 187 A HA 0.570 4.891 4.320 0.001 0.000 0.242 187 A C 0.883 178.466 177.584 -0.002 0.000 1.075 187 A CA -0.120 51.923 52.037 0.009 0.000 0.777 187 A CB 0.204 19.206 19.000 0.004 0.000 1.013 187 A HN 0.940 nan 8.150 nan 0.000 0.493 188 R N 1.364 121.859 120.500 -0.008 0.000 2.873 188 R HA 0.723 5.064 4.340 0.001 0.000 0.264 188 R C -2.993 173.296 176.300 -0.018 0.000 1.026 188 R CA -1.915 54.173 56.100 -0.020 0.000 1.002 188 R CB -0.032 30.251 30.300 -0.029 0.000 1.174 188 R HN 0.380 nan 8.270 nan 0.000 0.488 189 P HA -0.049 nan 4.420 nan 0.000 0.269 189 P C -0.798 176.495 177.300 -0.011 0.000 1.215 189 P CA -0.143 62.948 63.100 -0.016 0.000 0.780 189 P CB 0.408 32.096 31.700 -0.020 0.000 0.898 190 D N 2.919 123.317 120.400 -0.004 0.000 2.506 190 D HA -0.062 4.579 4.640 0.001 0.000 0.234 190 D C -1.174 175.126 176.300 0.000 0.000 1.143 190 D CA -1.004 52.995 54.000 -0.001 0.000 0.871 190 D CB 0.694 41.495 40.800 0.002 0.000 1.190 190 D HN 0.174 nan 8.370 nan 0.000 0.459 191 P HA -0.139 nan 4.420 nan 0.000 0.218 191 P C 0.973 178.280 177.300 0.012 0.000 1.148 191 P CA 1.147 64.250 63.100 0.005 0.000 0.822 191 P CB 0.045 31.748 31.700 0.005 0.000 0.784 192 A N 0.477 123.303 122.820 0.011 0.000 1.902 192 A HA -0.191 4.130 4.320 0.001 0.000 0.217 192 A C 2.060 179.654 177.584 0.018 0.000 1.181 192 A CA 1.932 53.978 52.037 0.014 0.000 0.623 192 A CB -1.220 17.787 19.000 0.011 0.000 0.818 192 A HN 0.072 nan 8.150 nan 0.000 0.443 193 D N -0.463 119.946 120.400 0.015 0.000 2.117 193 D HA -0.106 4.534 4.640 0.001 0.000 0.198 193 D C 1.861 178.174 176.300 0.022 0.000 0.982 193 D CA 1.054 55.065 54.000 0.018 0.000 0.828 193 D CB -0.362 40.446 40.800 0.012 0.000 0.967 193 D HN 0.327 nan 8.370 nan 0.000 0.464 194 L N 1.140 122.372 121.223 0.016 0.000 2.046 194 L HA -0.170 4.171 4.340 0.001 0.000 0.208 194 L C 1.591 178.490 176.870 0.049 0.000 1.077 194 L CA 1.661 56.512 54.840 0.018 0.000 0.747 194 L CB -0.265 41.794 42.059 0.000 0.000 0.896 194 L HN -0.145 nan 8.230 nan 0.000 0.432 195 D N -1.062 119.366 120.400 0.046 0.000 2.117 195 D HA -0.253 4.387 4.640 0.001 0.000 0.197 195 D C 2.047 178.384 176.300 0.062 0.000 0.987 195 D CA 1.284 55.319 54.000 0.058 0.000 0.829 195 D CB -0.115 40.708 40.800 0.038 0.000 0.961 195 D HN 0.484 nan 8.370 nan 0.000 0.460 196 Q N 0.198 120.027 119.800 0.048 0.000 2.084 196 Q HA -0.139 4.201 4.340 0.001 0.000 0.202 196 Q C 2.034 178.075 176.000 0.068 0.000 0.978 196 Q CA 1.576 57.407 55.803 0.048 0.000 0.844 196 Q CB -0.050 28.710 28.738 0.036 0.000 0.898 196 Q HN 0.210 nan 8.270 nan 0.000 0.426 197 A N 0.669 123.534 122.820 0.074 0.000 1.902 197 A HA -0.162 4.158 4.320 0.001 0.000 0.217 197 A C 2.032 179.711 177.584 0.158 0.000 1.181 197 A CA 1.238 53.333 52.037 0.097 0.000 0.623 197 A CB -0.696 18.348 19.000 0.074 0.000 0.818 197 A HN 0.448 nan 8.150 nan 0.000 0.443 198 L N -0.893 120.443 121.223 0.188 0.000 2.093 198 L HA -0.149 4.192 4.340 0.001 0.000 0.208 198 L C 3.075 180.106 176.870 0.269 0.000 1.085 198 L CA 0.856 55.898 54.840 0.336 0.000 0.755 198 L CB -0.486 41.789 42.059 0.360 0.000 0.904 198 L HN 0.442 nan 8.230 nan 0.000 0.435 199 A N 0.218 123.116 122.820 0.129 0.000 1.902 199 A HA -0.180 4.140 4.320 0.001 0.000 0.217 199 A C 2.246 179.868 177.584 0.062 0.000 1.181 199 A CA 1.461 53.528 52.037 0.050 0.000 0.623 199 A CB -0.698 18.318 19.000 0.026 0.000 0.818 199 A HN 0.346 nan 8.150 nan 0.000 0.443 200 L N -1.256 120.020 121.223 0.089 0.000 2.046 200 L HA -0.168 4.172 4.340 0.001 0.000 0.208 200 L C 2.549 179.492 176.870 0.122 0.000 1.077 200 L CA 1.104 55.994 54.840 0.084 0.000 0.747 200 L CB -0.443 41.664 42.059 0.080 0.000 0.896 200 L HN 0.442 nan 8.230 nan 0.000 0.432 201 L N -0.033 121.314 121.223 0.206 0.000 2.093 201 L HA -0.195 4.145 4.340 0.001 0.000 0.208 201 L C 2.729 179.806 176.870 0.346 0.000 1.085 201 L CA 1.608 56.623 54.840 0.291 0.000 0.755 201 L CB -0.518 41.780 42.059 0.398 0.000 0.904 201 L HN 0.118 nan 8.230 nan 0.000 0.435 202 R N -0.208 120.461 120.500 0.281 0.000 2.081 202 R HA -0.171 4.169 4.340 0.001 0.000 0.235 202 R C 2.287 178.593 176.300 0.010 0.000 1.131 202 R CA 1.941 58.052 56.100 0.019 0.000 0.960 202 R CB -0.218 29.857 30.300 -0.376 0.000 0.856 202 R HN 0.352 nan 8.270 nan 0.000 0.436 203 K N 0.338 120.744 120.400 0.010 0.000 2.366 203 K HA 0.240 4.560 4.320 0.001 0.000 0.198 203 K C 0.753 177.352 176.600 -0.002 0.000 1.044 203 K CA 0.901 57.183 56.287 -0.008 0.000 0.973 203 K CB -0.464 32.030 32.500 -0.010 0.000 0.767 203 K HN 0.500 nan 8.250 nan 0.000 0.475 204 A N 1.277 124.108 122.820 0.019 0.000 2.483 204 A HA 0.293 4.614 4.320 0.001 0.000 0.238 204 A C 0.899 178.446 177.584 -0.063 0.000 1.070 204 A CA 0.141 52.167 52.037 -0.018 0.000 0.770 204 A CB 0.222 19.224 19.000 0.003 0.000 1.008 204 A HN 0.546 nan 8.150 nan 0.000 0.497 205 E N 0.666 120.787 120.200 -0.132 0.000 2.190 205 E HA -0.009 4.341 4.350 0.001 0.000 0.191 205 E C 0.186 176.530 176.600 -0.427 0.000 0.978 205 E CA 0.676 56.958 56.400 -0.196 0.000 0.839 205 E CB 0.166 29.760 29.700 -0.177 0.000 0.787 205 E HN 0.637 nan 8.360 nan 0.000 0.473 206 R N 1.147 121.299 120.500 -0.581 0.000 2.653 206 R HA 0.213 4.554 4.340 0.001 0.000 0.269 206 R C -2.663 173.320 176.300 -0.527 0.000 1.603 206 R CA -1.351 53.969 56.100 -1.301 0.000 1.671 206 R CB 1.372 30.742 30.300 -1.550 0.000 1.300 206 R HN 0.053 nan 8.270 nan 0.000 0.668 207 P HA 0.150 nan 4.420 nan 0.000 0.278 207 P C -0.287 177.264 177.300 0.418 0.000 1.238 207 P CA -0.276 62.915 63.100 0.151 0.000 0.794 207 P CB 1.654 33.445 31.700 0.151 0.000 0.955 208 V N 0.315 120.406 119.914 0.295 0.000 3.007 208 V HA 0.639 4.760 4.120 0.001 0.000 0.311 208 V C -0.606 175.608 176.094 0.200 0.000 1.120 208 V CA -1.143 61.348 62.300 0.319 0.000 0.980 208 V CB 1.940 33.939 31.823 0.293 0.000 1.033 208 V HN 0.298 nan 8.190 nan 0.000 0.429 209 I N 2.277 122.973 120.570 0.210 0.000 2.493 209 I HA 0.694 4.865 4.170 0.001 0.000 0.298 209 I C -0.773 175.439 176.117 0.159 0.000 0.998 209 I CA -0.963 60.429 61.300 0.154 0.000 1.137 209 I CB 2.177 40.264 38.000 0.145 0.000 1.310 209 I HN 0.508 nan 8.210 nan 0.000 0.445 210 V N 6.762 126.723 119.914 0.078 0.000 2.443 210 V HA 0.415 4.536 4.120 0.001 0.000 0.293 210 V C -0.159 175.940 176.094 0.009 0.000 1.021 210 V CA -0.584 61.743 62.300 0.045 0.000 0.848 210 V CB 1.590 33.386 31.823 -0.045 0.000 0.998 210 V HN 0.458 nan 8.190 nan 0.000 0.424 211 L N 4.097 125.332 121.223 0.021 0.000 2.325 211 L HA 0.846 5.186 4.340 0.001 0.000 0.279 211 L C 0.902 177.757 176.870 -0.025 0.000 1.054 211 L CA -0.028 54.811 54.840 -0.001 0.000 0.804 211 L CB 1.498 43.564 42.059 0.012 0.000 1.200 211 L HN 0.766 nan 8.230 nan 0.000 0.436 212 G N -0.235 108.540 108.800 -0.042 0.000 3.175 212 G HA2 0.335 4.296 3.960 0.001 0.000 0.255 212 G HA3 0.335 4.296 3.960 0.001 0.000 0.255 212 G C 0.720 175.587 174.900 -0.055 0.000 1.352 212 G CA 0.295 45.358 45.100 -0.061 0.000 1.037 212 G HN 0.621 nan 8.290 nan 0.000 0.556 213 S N -0.700 114.954 115.700 -0.077 0.000 2.382 213 S HA -0.119 4.352 4.470 0.001 0.000 0.228 213 S C 1.632 176.198 174.600 -0.056 0.000 1.027 213 S CA 1.833 59.990 58.200 -0.072 0.000 0.991 213 S CB -0.260 62.876 63.200 -0.106 0.000 0.823 213 S HN 0.497 nan 8.310 nan 0.000 0.469 214 E N 1.847 122.012 120.200 -0.058 0.000 2.204 214 E HA -0.027 4.324 4.350 0.001 0.000 0.195 214 E C 2.359 178.939 176.600 -0.033 0.000 0.990 214 E CA 1.062 57.435 56.400 -0.044 0.000 0.821 214 E CB -0.625 29.049 29.700 -0.044 0.000 0.750 214 E HN 0.726 nan 8.360 nan 0.000 0.477 215 A N 0.821 123.623 122.820 -0.031 0.000 1.902 215 A HA -0.161 4.159 4.320 0.001 0.000 0.217 215 A C 2.409 179.982 177.584 -0.018 0.000 1.181 215 A CA 1.847 53.871 52.037 -0.021 0.000 0.623 215 A CB -0.513 18.478 19.000 -0.015 0.000 0.818 215 A HN 0.241 nan 8.150 nan 0.000 0.443 216 S N -1.009 114.679 115.700 -0.020 0.000 2.387 216 S HA -0.125 4.345 4.470 0.001 0.000 0.226 216 S C 2.208 176.793 174.600 -0.024 0.000 1.026 216 S CA 0.929 59.117 58.200 -0.019 0.000 0.972 216 S CB -0.326 62.863 63.200 -0.018 0.000 0.814 216 S HN 0.528 nan 8.310 nan 0.000 0.477 217 R N 0.863 121.346 120.500 -0.028 0.000 2.075 217 R HA -0.030 4.310 4.340 0.001 0.000 0.232 217 R C 2.509 178.796 176.300 -0.022 0.000 1.126 217 R CA 1.882 57.967 56.100 -0.026 0.000 0.963 217 R CB -1.735 28.550 30.300 -0.025 0.000 0.858 217 R HN 0.712 nan 8.270 nan 0.000 0.435 218 T N -1.971 112.571 114.554 -0.019 0.000 3.054 218 T HA 0.288 4.639 4.350 0.001 0.000 0.259 218 T C 1.022 175.714 174.700 -0.013 0.000 1.092 218 T CA 0.505 62.596 62.100 -0.015 0.000 1.121 218 T CB 0.046 68.907 68.868 -0.012 0.000 0.912 218 T HN 0.295 nan 8.240 nan 0.000 0.489 219 A N 2.152 124.964 122.820 -0.014 0.000 2.466 219 A HA -0.169 4.152 4.320 0.001 0.000 0.295 219 A C 0.669 178.249 177.584 -0.006 0.000 1.465 219 A CA 0.307 52.337 52.037 -0.012 0.000 0.744 219 A CB -1.737 17.252 19.000 -0.017 0.000 1.098 219 A HN 0.500 nan 8.150 nan 0.000 0.402 220 R N 0.109 120.606 120.500 -0.004 0.000 4.138 220 R HA 0.156 4.497 4.340 0.001 0.000 0.206 220 R C 1.091 177.392 176.300 0.002 0.000 1.667 220 R CA 0.115 56.215 56.100 -0.000 0.000 1.481 220 R CB -0.030 30.267 30.300 -0.004 0.000 1.388 220 R HN 0.726 nan 8.270 nan 0.000 0.776 221 K N -0.071 120.329 120.400 0.000 0.000 2.103 221 K HA -0.054 4.267 4.320 0.001 0.000 0.204 221 K C 1.505 178.107 176.600 0.003 0.000 1.052 221 K CA 1.417 57.704 56.287 0.000 0.000 0.945 221 K CB 0.250 32.747 32.500 -0.005 0.000 0.722 221 K HN 0.182 nan 8.250 nan 0.000 0.443 222 T N 1.163 115.719 114.554 0.003 0.000 2.708 222 T HA -0.165 4.185 4.350 0.001 0.000 0.266 222 T C 2.026 176.732 174.700 0.010 0.000 1.037 222 T CA 1.482 63.584 62.100 0.004 0.000 1.146 222 T CB -0.252 68.618 68.868 0.003 0.000 0.865 222 T HN 0.304 nan 8.240 nan 0.000 0.435 223 A N 1.100 123.926 122.820 0.011 0.000 1.930 223 A HA 0.055 4.376 4.320 0.001 0.000 0.217 223 A C 2.243 179.856 177.584 0.049 0.000 1.175 223 A CA 1.069 53.116 52.037 0.016 0.000 0.627 223 A CB -0.774 18.223 19.000 -0.006 0.000 0.815 223 A HN 0.385 nan 8.150 nan 0.000 0.443 224 L N -0.040 121.212 121.223 0.048 0.000 2.012 224 L HA -0.136 4.205 4.340 0.001 0.000 0.210 224 L C 2.639 179.557 176.870 0.079 0.000 1.073 224 L CA 2.583 57.479 54.840 0.093 0.000 0.748 224 L CB -0.790 41.301 42.059 0.055 0.000 0.891 224 L HN 0.369 nan 8.230 nan 0.000 0.431 225 S N -0.887 114.830 115.700 0.027 0.000 2.359 225 S HA -0.231 4.239 4.470 0.001 0.000 0.224 225 S C 2.146 176.742 174.600 -0.007 0.000 1.035 225 S CA 1.470 59.667 58.200 -0.004 0.000 1.018 225 S CB -0.527 62.666 63.200 -0.011 0.000 0.876 225 S HN 0.656 nan 8.310 nan 0.000 0.448 226 A N 0.633 123.466 122.820 0.020 0.000 1.877 226 A HA -0.011 4.310 4.320 0.001 0.000 0.216 226 A C 2.072 179.673 177.584 0.028 0.000 1.186 226 A CA 1.606 53.654 52.037 0.019 0.000 0.620 226 A CB -1.240 17.779 19.000 0.031 0.000 0.822 226 A HN 0.726 nan 8.150 nan 0.000 0.443 227 F N 0.488 120.373 119.950 -0.107 0.000 2.095 227 F HA -0.196 4.331 4.527 0.001 0.000 0.298 227 F C 2.182 177.863 175.800 -0.199 0.000 1.104 227 F CA 1.975 59.877 58.000 -0.163 0.000 1.232 227 F CB -0.016 38.903 39.000 -0.135 0.000 0.987 227 F HN 0.057 nan 8.300 nan 0.000 0.475 228 V N 0.387 120.122 119.914 -0.299 0.000 2.453 228 V HA -0.244 3.877 4.120 0.001 0.000 0.247 228 V C 2.644 178.560 176.094 -0.297 0.000 1.048 228 V CA 1.560 63.622 62.300 -0.397 0.000 1.049 228 V CB -1.153 30.550 31.823 -0.201 0.000 0.672 228 V HN 0.500 nan 8.190 nan 0.000 0.457 229 A N -0.001 122.707 122.820 -0.186 0.000 1.930 229 A HA -0.065 4.256 4.320 0.001 0.000 0.217 229 A C 2.397 179.891 177.584 -0.150 0.000 1.175 229 A CA 1.917 53.874 52.037 -0.132 0.000 0.627 229 A CB -0.626 18.328 19.000 -0.076 0.000 0.815 229 A HN 0.542 nan 8.150 nan 0.000 0.443 230 A N -0.461 122.236 122.820 -0.205 0.000 1.898 230 A HA -0.052 4.268 4.320 0.001 0.000 0.216 230 A C 2.385 179.756 177.584 -0.355 0.000 1.181 230 A CA 2.393 54.298 52.037 -0.220 0.000 0.620 230 A CB -1.008 17.860 19.000 -0.220 0.000 0.819 230 A HN 0.746 nan 8.150 nan 0.000 0.442 231 T N -4.957 109.234 114.554 -0.605 0.000 3.037 231 T HA 0.384 4.734 4.350 0.001 0.000 0.252 231 T C 1.483 176.040 174.700 -0.239 0.000 1.073 231 T CA 1.150 62.858 62.100 -0.655 0.000 1.091 231 T CB -0.059 68.112 68.868 -1.162 0.000 0.935 231 T HN 1.691 nan 8.240 nan 0.000 0.488 232 G N 1.192 109.857 108.800 -0.226 0.000 2.168 232 G HA2 -0.223 3.737 3.960 0.001 0.000 0.257 232 G HA3 -0.223 3.737 3.960 0.001 0.000 0.257 232 G C 0.062 174.923 174.900 -0.065 0.000 0.997 232 G CA 0.176 45.215 45.100 -0.102 0.000 0.708 232 G HN 0.731 nan 8.290 nan 0.000 0.520 233 V N 2.452 122.278 119.914 -0.146 0.000 2.488 233 V HA 0.374 4.495 4.120 0.001 0.000 0.277 233 V C -1.211 174.849 176.094 -0.056 0.000 1.046 233 V CA -1.386 60.891 62.300 -0.038 0.000 0.986 233 V CB 1.313 33.079 31.823 -0.094 0.000 0.989 233 V HN 0.201 nan 8.190 nan 0.000 0.475 234 P HA 0.163 nan 4.420 nan 0.000 0.268 234 P C -0.778 176.484 177.300 -0.064 0.000 1.205 234 P CA 0.022 63.048 63.100 -0.123 0.000 0.771 234 P CB 0.756 32.327 31.700 -0.215 0.000 0.858 235 V N 4.148 123.941 119.914 -0.201 0.000 2.448 235 V HA 0.422 4.543 4.120 0.001 0.000 0.295 235 V C 0.057 175.992 176.094 -0.264 0.000 1.025 235 V CA -0.303 61.938 62.300 -0.099 0.000 0.859 235 V CB 0.532 32.310 31.823 -0.075 0.000 0.988 235 V HN 0.374 nan 8.190 nan 0.000 0.431 236 F N 2.059 121.974 119.950 -0.058 0.000 2.572 236 F HA 0.928 5.456 4.527 0.001 0.000 0.342 236 F C 0.472 176.238 175.800 -0.057 0.000 1.064 236 F CA -0.661 57.300 58.000 -0.066 0.000 1.008 236 F CB 1.941 40.885 39.000 -0.093 0.000 1.303 236 F HN 0.618 nan 8.300 nan 0.000 0.492 237 A N 0.414 123.325 122.820 0.151 0.000 2.604 237 A HA 0.538 4.858 4.320 0.001 0.000 0.295 237 A C -1.584 176.011 177.584 0.018 0.000 1.067 237 A CA -0.909 51.163 52.037 0.058 0.000 0.683 237 A CB 1.014 20.038 19.000 0.040 0.000 1.281 237 A HN 0.697 nan 8.150 nan 0.000 0.407 238 D N 0.188 120.564 120.400 -0.039 0.000 2.393 238 D HA 0.167 4.808 4.640 0.001 0.000 0.246 238 D C 0.761 177.055 176.300 -0.010 0.000 1.275 238 D CA -0.013 53.910 54.000 -0.128 0.000 0.979 238 D CB -0.016 40.687 40.800 -0.163 0.000 1.101 238 D HN 0.448 nan 8.370 nan 0.000 0.505 239 Y N -1.031 119.340 120.300 0.120 0.000 2.114 239 Y HA -0.143 4.407 4.550 0.001 0.000 0.282 239 Y C 2.458 178.463 175.900 0.174 0.000 1.165 239 Y CA 1.776 60.020 58.100 0.239 0.000 1.148 239 Y CB -0.944 37.624 38.460 0.179 0.000 0.972 239 Y HN 0.510 nan 8.280 nan 0.000 0.504 240 E N -0.239 120.067 120.200 0.177 0.000 2.204 240 E HA -0.052 4.298 4.350 0.001 0.000 0.194 240 E C 2.375 179.011 176.600 0.061 0.000 0.989 240 E CA 1.115 57.554 56.400 0.065 0.000 0.824 240 E CB -0.564 29.119 29.700 -0.028 0.000 0.756 240 E HN 0.402 nan 8.360 nan 0.000 0.477 241 G N -0.168 108.667 108.800 0.058 0.000 2.777 241 G HA2 -0.102 3.859 3.960 0.001 0.000 0.211 241 G HA3 -0.102 3.859 3.960 0.001 0.000 0.211 241 G C 1.317 176.253 174.900 0.060 0.000 1.149 241 G CA 0.298 45.420 45.100 0.038 0.000 0.785 241 G HN 0.288 nan 8.290 nan 0.000 0.536 242 L N 2.313 123.605 121.223 0.116 0.000 2.013 242 L HA -0.133 4.208 4.340 0.001 0.000 0.212 242 L C 2.996 179.894 176.870 0.046 0.000 1.073 242 L CA 2.619 57.509 54.840 0.083 0.000 0.753 242 L CB -0.626 41.498 42.059 0.109 0.000 0.890 242 L HN 0.296 nan 8.230 nan 0.000 0.432 243 S N -1.951 113.796 115.700 0.078 0.000 2.474 243 S HA -0.154 4.317 4.470 0.001 0.000 0.235 243 S C 1.813 176.421 174.600 0.013 0.000 0.997 243 S CA 0.904 59.130 58.200 0.044 0.000 0.949 243 S CB -0.536 62.702 63.200 0.064 0.000 0.766 243 S HN 0.409 nan 8.310 nan 0.000 0.517 244 M N 1.105 120.712 119.600 0.012 0.000 2.557 244 M HA 0.226 4.707 4.480 0.001 0.000 0.259 244 M C 1.449 177.741 176.300 -0.014 0.000 1.086 244 M CA 0.749 56.049 55.300 -0.001 0.000 1.096 244 M CB -1.079 31.523 32.600 0.003 0.000 1.424 244 M HN 0.427 nan 8.290 nan 0.000 0.488 245 L N -1.613 119.596 121.223 -0.024 0.000 2.592 245 L HA 0.041 4.381 4.340 0.001 0.000 0.227 245 L C 2.007 178.844 176.870 -0.055 0.000 1.127 245 L CA 0.009 54.819 54.840 -0.050 0.000 0.884 245 L CB -0.488 41.526 42.059 -0.075 0.000 1.065 245 L HN 0.141 nan 8.230 nan 0.000 0.457 246 S N 0.684 116.361 115.700 -0.040 0.000 2.423 246 S HA -0.057 4.414 4.470 0.001 0.000 0.231 246 S C 1.882 176.456 174.600 -0.043 0.000 1.014 246 S CA 1.211 59.386 58.200 -0.042 0.000 0.965 246 S CB -0.063 63.120 63.200 -0.029 0.000 0.785 246 S HN 0.602 nan 8.310 nan 0.000 0.495 247 G N 0.437 109.214 108.800 -0.038 0.000 3.042 247 G HA2 0.318 4.279 3.960 0.001 0.000 0.212 247 G HA3 0.318 4.279 3.960 0.001 0.000 0.212 247 G C 0.253 175.126 174.900 -0.044 0.000 1.166 247 G CA -0.267 44.812 45.100 -0.036 0.000 0.767 247 G HN 0.299 nan 8.290 nan 0.000 0.546 248 L N 0.963 122.153 121.223 -0.056 0.000 2.418 248 L HA 0.325 4.665 4.340 0.001 0.000 0.265 248 L C -2.025 174.799 176.870 -0.076 0.000 1.143 248 L CA -1.992 52.807 54.840 -0.068 0.000 0.809 248 L CB 1.075 43.084 42.059 -0.083 0.000 1.124 248 L HN -0.122 nan 8.230 nan 0.000 0.456 249 P HA 0.003 nan 4.420 nan 0.000 0.266 249 P C -0.137 177.106 177.300 -0.095 0.000 1.195 249 P CA -0.141 62.913 63.100 -0.078 0.000 0.768 249 P CB 0.525 32.180 31.700 -0.074 0.000 0.838 250 D N 2.331 122.677 120.400 -0.090 0.000 2.149 250 D HA -0.217 4.424 4.640 0.001 0.000 0.194 250 D C 1.884 178.111 176.300 -0.121 0.000 1.001 250 D CA 2.104 56.041 54.000 -0.104 0.000 0.849 250 D CB -0.579 40.167 40.800 -0.091 0.000 0.939 250 D HN 0.410 nan 8.370 nan 0.000 0.449 251 A N -0.275 122.481 122.820 -0.108 0.000 2.019 251 A HA -0.115 4.206 4.320 0.001 0.000 0.219 251 A C 1.924 179.418 177.584 -0.150 0.000 1.164 251 A CA 1.189 53.157 52.037 -0.115 0.000 0.644 251 A CB -0.271 18.679 19.000 -0.085 0.000 0.805 251 A HN 0.140 nan 8.150 nan 0.000 0.449 252 M N -0.714 118.794 119.600 -0.152 0.000 2.371 252 M HA 0.183 4.663 4.480 0.001 0.000 0.246 252 M C 0.273 176.434 176.300 -0.232 0.000 1.103 252 M CA 0.328 55.520 55.300 -0.180 0.000 1.010 252 M CB 0.368 32.877 32.600 -0.151 0.000 1.457 252 M HN 0.103 nan 8.290 nan 0.000 0.486 253 R N 0.018 120.377 120.500 -0.235 0.000 2.296 253 R HA 0.351 4.691 4.340 0.001 0.000 0.327 253 R C 1.255 177.312 176.300 -0.405 0.000 1.137 253 R CA -0.164 55.771 56.100 -0.274 0.000 1.020 253 R CB 0.294 30.478 30.300 -0.193 0.000 1.110 253 R HN 0.306 nan 8.270 nan 0.000 0.499 254 G N 1.664 110.039 108.800 -0.708 0.000 2.511 254 G HA2 0.147 4.107 3.960 0.001 0.000 0.217 254 G HA3 0.147 4.107 3.960 0.001 0.000 0.217 254 G C 0.814 175.240 174.900 -0.791 0.000 1.133 254 G CA 0.583 44.911 45.100 -1.286 0.000 0.792 254 G HN 0.869 nan 8.290 nan 0.000 0.539 255 G N -0.368 108.165 108.800 -0.444 0.000 2.542 255 G HA2 -0.216 3.745 3.960 0.001 0.000 0.235 255 G HA3 -0.216 3.745 3.960 0.001 0.000 0.235 255 G C -0.056 174.859 174.900 0.024 0.000 1.286 255 G CA -0.346 44.666 45.100 -0.146 0.000 0.904 255 G HN 0.584 nan 8.290 nan 0.000 0.577 256 L N 0.346 121.624 121.223 0.091 0.000 2.453 256 L HA 0.232 4.573 4.340 0.001 0.000 0.272 256 L C 2.184 179.184 176.870 0.217 0.000 1.182 256 L CA 0.319 55.236 54.840 0.130 0.000 0.858 256 L CB 1.190 43.322 42.059 0.123 0.000 1.120 256 L HN 0.639 nan 8.230 nan 0.000 0.474 257 V N 3.672 123.663 119.914 0.128 0.000 2.720 257 V HA -0.266 3.855 4.120 0.001 0.000 0.256 257 V C 2.332 178.401 176.094 -0.042 0.000 1.082 257 V CA 2.155 64.469 62.300 0.022 0.000 1.101 257 V CB -0.483 31.293 31.823 -0.077 0.000 0.693 257 V HN 1.076 nan 8.190 nan 0.000 0.479 258 Q N -0.540 119.266 119.800 0.011 0.000 2.248 258 Q HA -0.302 4.039 4.340 0.001 0.000 0.208 258 Q C 1.717 177.778 176.000 0.102 0.000 0.984 258 Q CA 2.493 58.319 55.803 0.038 0.000 0.875 258 Q CB -0.951 27.819 28.738 0.052 0.000 0.910 258 Q HN 0.778 nan 8.270 nan 0.000 0.433 259 N N 0.599 119.391 118.700 0.153 0.000 2.364 259 N HA -0.033 4.708 4.740 0.001 0.000 0.183 259 N C 1.533 177.182 175.510 0.232 0.000 1.022 259 N CA 0.545 53.748 53.050 0.255 0.000 0.883 259 N CB -0.072 38.637 38.487 0.370 0.000 0.965 259 N HN 0.250 nan 8.380 nan 0.000 0.438 260 L N 0.019 121.160 121.223 -0.136 0.000 2.353 260 L HA -0.190 4.151 4.340 0.001 0.000 0.220 260 L C 2.027 178.901 176.870 0.008 0.000 1.133 260 L CA 0.650 55.214 54.840 -0.460 0.000 0.798 260 L CB -0.447 41.185 42.059 -0.712 0.000 0.922 260 L HN 0.320 nan 8.230 nan 0.000 0.445 261 Y N 1.173 121.491 120.300 0.030 0.000 2.151 261 Y HA -0.356 4.195 4.550 0.001 0.000 0.284 261 Y C 2.719 178.702 175.900 0.138 0.000 1.166 261 Y CA 1.912 60.050 58.100 0.064 0.000 1.163 261 Y CB -0.104 38.389 38.460 0.054 0.000 0.974 261 Y HN 0.268 nan 8.280 nan 0.000 0.511 262 S N -1.329 114.537 115.700 0.277 0.000 2.593 262 S HA -0.003 4.468 4.470 0.001 0.000 0.217 262 S C 1.623 176.313 174.600 0.150 0.000 0.966 262 S CA -0.052 58.241 58.200 0.155 0.000 0.914 262 S CB -1.179 62.152 63.200 0.219 0.000 0.776 262 S HN 0.455 nan 8.310 nan 0.000 0.523 263 F N 2.150 122.088 119.950 -0.020 0.000 2.186 263 F HA 0.048 4.576 4.527 0.001 0.000 0.299 263 F C 2.877 178.680 175.800 0.005 0.000 1.090 263 F CA 0.733 58.752 58.000 0.032 0.000 1.307 263 F CB -0.421 38.626 39.000 0.078 0.000 1.019 263 F HN 0.344 nan 8.300 nan 0.000 0.489 264 A N 0.766 123.659 122.820 0.122 0.000 1.883 264 A HA -0.251 4.070 4.320 0.001 0.000 0.217 264 A C 2.280 179.867 177.584 0.005 0.000 1.186 264 A CA 2.610 54.667 52.037 0.033 0.000 0.624 264 A CB -1.334 17.644 19.000 -0.037 0.000 0.822 264 A HN 0.299 nan 8.150 nan 0.000 0.444 265 K N -0.676 119.708 120.400 -0.027 0.000 2.211 265 K HA 0.222 4.543 4.320 0.001 0.000 0.204 265 K C 1.955 178.549 176.600 -0.011 0.000 1.047 265 K CA 1.861 58.133 56.287 -0.024 0.000 0.935 265 K CB -1.191 31.288 32.500 -0.035 0.000 0.728 265 K HN 1.057 nan 8.250 nan 0.000 0.452 266 A N -0.223 122.589 122.820 -0.012 0.000 2.278 266 A HA 0.410 4.730 4.320 0.001 0.000 0.212 266 A C 1.162 178.746 177.584 -0.000 0.000 1.213 266 A CA 1.297 53.318 52.037 -0.027 0.000 0.840 266 A CB -1.290 17.655 19.000 -0.092 0.000 0.866 266 A HN 1.445 nan 8.150 nan 0.000 0.489 267 D N -2.314 118.097 120.400 0.019 0.000 2.699 267 D HA 0.121 4.761 4.640 0.001 0.000 0.239 267 D C 0.497 176.829 176.300 0.053 0.000 1.136 267 D CA 1.033 55.050 54.000 0.028 0.000 0.668 267 D CB -1.933 nan 40.800 nan 0.000 1.060 267 D HN 1.826 nan 8.370 nan 0.000 0.429 268 A N -1.581 121.304 122.820 0.107 0.000 2.569 268 A HA 0.770 5.091 4.320 0.001 0.000 0.284 268 A C 1.222 179.025 177.584 0.365 0.000 0.948 268 A CA 1.368 53.532 52.037 0.212 0.000 1.007 268 A CB 0.147 19.285 19.000 0.230 0.000 1.232 268 A HN 2.198 nan 8.150 nan 0.000 0.530 269 A N 1.575 124.528 122.820 0.221 0.000 2.546 269 A HA 0.512 4.833 4.320 0.001 0.000 0.243 269 A C -2.350 175.291 177.584 0.095 0.000 1.063 269 A CA -0.548 51.601 52.037 0.187 0.000 0.757 269 A CB -0.547 18.495 19.000 0.070 0.000 0.991 269 A HN 0.258 nan 8.150 nan 0.000 0.503 270 P HA -0.000 nan 4.420 nan 0.000 0.265 270 P C -0.071 177.198 177.300 -0.052 0.000 1.187 270 P CA 0.357 63.458 63.100 0.002 0.000 0.766 270 P CB 0.553 32.281 31.700 0.046 0.000 0.820 271 D N 2.208 122.546 120.400 -0.103 0.000 2.360 271 D HA 0.056 4.696 4.640 0.001 0.000 0.210 271 D C 0.162 176.447 176.300 -0.025 0.000 1.047 271 D CA 0.582 54.544 54.000 -0.064 0.000 0.854 271 D CB 0.161 40.907 40.800 -0.090 0.000 0.936 271 D HN 0.129 nan 8.370 nan 0.000 0.514 272 L N 1.121 122.337 121.223 -0.011 0.000 2.505 272 L HA 0.448 4.789 4.340 0.001 0.000 0.266 272 L C -1.932 174.968 176.870 0.050 0.000 0.954 272 L CA -0.777 54.081 54.840 0.030 0.000 0.852 272 L CB 2.134 44.219 42.059 0.043 0.000 1.282 272 L HN -0.259 nan 8.230 nan 0.000 0.403 273 V N 5.690 125.634 119.914 0.050 0.000 2.483 273 V HA 0.386 4.507 4.120 0.001 0.000 0.297 273 V C -0.408 175.715 176.094 0.048 0.000 1.027 273 V CA -0.654 61.669 62.300 0.039 0.000 0.855 273 V CB 2.054 33.875 31.823 -0.003 0.000 0.995 273 V HN 0.599 nan 8.190 nan 0.000 0.424 274 L N 6.625 127.886 121.223 0.064 0.000 2.272 274 L HA 0.608 4.948 4.340 0.001 0.000 0.284 274 L C -0.216 176.671 176.870 0.028 0.000 1.045 274 L CA 0.057 54.936 54.840 0.065 0.000 0.842 274 L CB 0.922 43.051 42.059 0.116 0.000 1.224 274 L HN 0.646 nan 8.230 nan 0.000 0.430 275 M N 6.529 126.119 119.600 -0.016 0.000 2.084 275 M HA 0.357 4.838 4.480 0.001 0.000 0.351 275 M C -0.791 175.481 176.300 -0.047 0.000 1.240 275 M CA 0.004 55.262 55.300 -0.070 0.000 1.083 275 M CB 0.892 33.392 32.600 -0.168 0.000 1.593 275 M HN 0.440 nan 8.290 nan 0.000 0.463 276 L N 3.525 124.726 121.223 -0.037 0.000 2.371 276 L HA 0.437 4.778 4.340 0.001 0.000 0.262 276 L C 0.968 177.811 176.870 -0.044 0.000 1.054 276 L CA -0.330 54.491 54.840 -0.031 0.000 0.924 276 L CB 0.755 42.806 42.059 -0.014 0.000 1.295 276 L HN 1.108 nan 8.230 nan 0.000 0.441 277 G N 1.967 110.735 108.800 -0.052 0.000 2.184 277 G HA2 -0.305 3.655 3.960 0.001 0.000 0.264 277 G HA3 -0.305 3.655 3.960 0.001 0.000 0.264 277 G C 0.443 175.296 174.900 -0.079 0.000 0.975 277 G CA 0.180 45.245 45.100 -0.059 0.000 0.642 277 G HN 0.746 nan 8.290 nan 0.000 0.536 278 A N 0.641 123.402 122.820 -0.099 0.000 2.347 278 A HA 0.713 5.033 4.320 0.001 0.000 0.287 278 A C 0.824 178.305 177.584 -0.171 0.000 1.199 278 A CA -0.080 51.878 52.037 -0.131 0.000 0.851 278 A CB 0.219 19.128 19.000 -0.151 0.000 1.118 278 A HN 0.521 nan 8.150 nan 0.000 0.525 279 R N 1.214 121.654 120.500 -0.101 0.000 2.615 279 R HA 0.315 4.656 4.340 0.001 0.000 0.270 279 R C -1.020 175.211 176.300 -0.116 0.000 1.081 279 R CA -0.156 55.914 56.100 -0.049 0.000 1.154 279 R CB 0.548 30.909 30.300 0.100 0.000 1.063 279 R HN 0.656 nan 8.270 nan 0.000 0.519 280 F N 0.914 120.878 119.950 0.023 0.000 2.506 280 F HA 0.314 4.842 4.527 0.001 0.000 0.371 280 F C 1.331 177.116 175.800 -0.026 0.000 1.078 280 F CA 1.235 59.236 58.000 0.001 0.000 1.195 280 F CB 0.995 40.006 39.000 0.017 0.000 1.099 280 F HN 0.673 nan 8.300 nan 0.000 0.548 281 G N 2.167 110.990 108.800 0.038 0.000 2.336 281 G HA2 0.104 4.064 3.960 0.001 0.000 0.286 281 G HA3 0.104 4.064 3.960 0.001 0.000 0.286 281 G C -0.291 174.289 174.900 -0.533 0.000 1.269 281 G CA -0.693 44.281 45.100 -0.211 0.000 0.873 281 G HN 0.515 nan 8.290 nan 0.000 0.494 282 L N 0.720 121.617 121.223 -0.543 0.000 2.021 282 L HA -0.049 4.291 4.340 0.001 0.000 0.215 282 L C 2.114 178.860 176.870 -0.207 0.000 1.074 282 L CA 2.905 57.498 54.840 -0.413 0.000 0.760 282 L CB -0.521 41.518 42.059 -0.033 0.000 0.889 282 L HN 0.561 nan 8.230 nan 0.000 0.433 283 N N -1.445 117.236 118.700 -0.031 0.000 2.422 283 N HA -0.014 4.726 4.740 0.001 0.000 0.181 283 N C 1.041 176.469 175.510 -0.138 0.000 1.080 283 N CA 1.173 54.161 53.050 -0.103 0.000 0.893 283 N CB -0.052 38.346 38.487 -0.148 0.000 0.973 283 N HN 0.602 nan 8.380 nan 0.000 0.456 284 T N -3.623 110.849 114.554 -0.137 0.000 3.174 284 T HA 0.383 4.734 4.350 0.001 0.000 0.269 284 T C 1.107 175.768 174.700 -0.066 0.000 1.017 284 T CA 0.115 62.142 62.100 -0.122 0.000 0.899 284 T CB 0.431 69.199 68.868 -0.166 0.000 1.077 284 T HN 0.169 nan 8.240 nan 0.000 0.552 285 G N 1.688 110.436 108.800 -0.087 0.000 2.147 285 G HA2 -0.275 3.686 3.960 0.001 0.000 0.244 285 G HA3 -0.275 3.686 3.960 0.001 0.000 0.244 285 G C 0.310 175.297 174.900 0.145 0.000 1.005 285 G CA 0.573 45.697 45.100 0.039 0.000 0.713 285 G HN 0.921 nan 8.290 nan 0.000 0.515 286 H N -1.754 117.377 119.070 0.102 0.000 1.452 286 H HA -0.231 4.325 4.556 0.001 0.000 0.090 286 H C 1.955 177.380 175.328 0.162 0.000 0.973 286 H CA 2.553 58.668 56.048 0.111 0.000 1.901 286 H CB -1.249 28.543 29.762 0.050 0.000 2.257 286 H HN 1.171 nan 8.280 nan 0.000 0.961 287 G N -0.724 108.223 108.800 0.244 0.000 3.605 287 G HA2 0.261 4.221 3.960 0.001 0.000 0.277 287 G HA3 0.261 4.221 3.960 0.001 0.000 0.277 287 G C 1.044 176.072 174.900 0.214 0.000 1.093 287 G CA 0.578 45.764 45.100 0.143 0.000 0.821 287 G HN 0.683 nan 8.290 nan 0.000 0.532 288 S N -0.581 115.218 115.700 0.166 0.000 2.453 288 S HA 0.233 4.704 4.470 0.001 0.000 0.231 288 S C 2.111 176.668 174.600 -0.072 0.000 1.005 288 S CA 1.149 59.422 58.200 0.123 0.000 0.949 288 S CB -0.201 63.070 63.200 0.119 0.000 0.774 288 S HN 1.404 nan 8.310 nan 0.000 0.510 289 G N 0.055 108.675 108.800 -0.301 0.000 2.162 289 G HA2 -0.336 3.624 3.960 0.001 0.000 0.260 289 G HA3 -0.336 3.624 3.960 0.001 0.000 0.260 289 G C 0.777 175.507 174.900 -0.283 0.000 0.976 289 G CA 0.610 45.308 45.100 -0.670 0.000 0.655 289 G HN 0.568 nan 8.290 nan 0.000 0.533 290 Q N -0.843 118.890 119.800 -0.112 0.000 2.230 290 Q HA 0.286 4.627 4.340 0.001 0.000 0.202 290 Q C 2.926 178.896 176.000 -0.050 0.000 0.963 290 Q CA 1.629 57.401 55.803 -0.051 0.000 0.866 290 Q CB -0.032 28.760 28.738 0.090 0.000 0.931 290 Q HN 0.791 nan 8.270 nan 0.000 0.452 291 L N -1.638 119.553 121.223 -0.053 0.000 2.515 291 L HA 0.374 4.715 4.340 0.001 0.000 0.202 291 L C 0.814 177.588 176.870 -0.159 0.000 1.056 291 L CA 0.186 54.961 54.840 -0.110 0.000 0.847 291 L CB 0.377 42.376 42.059 -0.101 0.000 1.131 291 L HN 0.156 nan 8.230 nan 0.000 0.484 292 I N 2.165 122.676 120.570 -0.098 0.000 2.307 292 I HA 0.236 4.406 4.170 0.001 0.000 0.287 292 I C -2.301 173.780 176.117 -0.061 0.000 1.054 292 I CA -1.847 59.418 61.300 -0.058 0.000 1.218 292 I CB 0.909 38.926 38.000 0.029 0.000 1.398 292 I HN -0.195 nan 8.210 nan 0.000 0.475 293 P HA 0.025 nan 4.420 nan 0.000 0.268 293 P C 0.474 177.751 177.300 -0.038 0.000 1.205 293 P CA -0.058 62.982 63.100 -0.099 0.000 0.771 293 P CB 0.437 32.110 31.700 -0.044 0.000 0.858 294 H N 0.856 119.938 119.070 0.019 0.000 2.456 294 H HA -0.088 4.468 4.556 0.001 0.000 0.296 294 H C 1.652 176.983 175.328 0.006 0.000 1.079 294 H CA 2.020 58.073 56.048 0.009 0.000 1.322 294 H CB -0.609 29.152 29.762 -0.002 0.000 1.388 294 H HN 0.430 nan 8.280 nan 0.000 0.538 295 S N -0.309 115.458 115.700 0.111 0.000 2.527 295 S HA 0.275 4.746 4.470 0.001 0.000 0.222 295 S C 1.301 175.924 174.600 0.038 0.000 0.985 295 S CA 0.063 58.299 58.200 0.060 0.000 0.921 295 S CB 0.139 63.362 63.200 0.037 0.000 0.772 295 S HN 0.396 nan 8.310 nan 0.000 0.529 296 A N 1.630 124.474 122.820 0.040 0.000 2.371 296 A HA 0.418 4.739 4.320 0.001 0.000 0.257 296 A C 0.179 177.792 177.584 0.048 0.000 1.089 296 A CA -0.535 51.520 52.037 0.030 0.000 0.794 296 A CB 0.203 19.216 19.000 0.023 0.000 1.029 296 A HN 0.503 nan 8.150 nan 0.000 0.488 297 Q N 0.648 120.472 119.800 0.039 0.000 2.304 297 Q HA 0.407 4.747 4.340 0.001 0.000 0.260 297 Q C -0.927 175.113 176.000 0.067 0.000 0.965 297 Q CA -0.175 55.658 55.803 0.050 0.000 0.898 297 Q CB 1.357 30.119 28.738 0.040 0.000 1.196 297 Q HN 0.490 nan 8.270 nan 0.000 0.402 298 V N 5.006 124.973 119.914 0.088 0.000 2.417 298 V HA 0.400 4.521 4.120 0.001 0.000 0.291 298 V C -0.165 175.986 176.094 0.094 0.000 1.024 298 V CA -0.580 61.784 62.300 0.108 0.000 0.861 298 V CB 1.396 33.336 31.823 0.194 0.000 0.985 298 V HN 0.625 nan 8.190 nan 0.000 0.436 299 I N 4.687 125.303 120.570 0.076 0.000 2.339 299 I HA 0.471 4.641 4.170 0.001 0.000 0.290 299 I C -0.066 176.083 176.117 0.053 0.000 0.994 299 I CA -0.104 61.235 61.300 0.066 0.000 1.191 299 I CB 1.380 39.418 38.000 0.064 0.000 1.343 299 I HN 0.613 nan 8.210 nan 0.000 0.458 300 Q N 5.760 125.593 119.800 0.056 0.000 2.340 300 Q HA 0.633 4.974 4.340 0.001 0.000 0.268 300 Q C -1.758 174.256 176.000 0.023 0.000 1.031 300 Q CA -0.699 55.125 55.803 0.034 0.000 0.804 300 Q CB 2.535 31.319 28.738 0.077 0.000 1.286 300 Q HN 0.510 nan 8.270 nan 0.000 0.448 301 V N 4.156 124.070 119.914 -0.000 0.000 2.444 301 V HA 0.533 4.653 4.120 0.001 0.000 0.294 301 V C -0.662 175.424 176.094 -0.013 0.000 1.022 301 V CA -0.573 61.724 62.300 -0.006 0.000 0.850 301 V CB 1.693 33.504 31.823 -0.019 0.000 0.992 301 V HN 0.819 nan 8.190 nan 0.000 0.426 302 D N 5.418 125.815 120.400 -0.005 0.000 2.803 302 D HA 0.324 4.965 4.640 0.001 0.000 0.218 302 D C -2.326 173.971 176.300 -0.004 0.000 1.245 302 D CA -1.149 52.846 54.000 -0.009 0.000 0.821 302 D CB 3.838 44.638 40.800 -0.001 0.000 1.626 302 D HN 0.250 nan 8.370 nan 0.000 0.487 303 P HA 0.012 nan 4.420 nan 0.000 0.233 303 P C 0.016 177.318 177.300 0.002 0.000 1.167 303 P CA 0.573 63.670 63.100 -0.005 0.000 0.770 303 P CB 0.506 32.199 31.700 -0.010 0.000 0.837 304 D N -0.149 120.253 120.400 0.003 0.000 2.441 304 D HA 0.371 5.012 4.640 0.001 0.000 0.231 304 D C 1.167 177.482 176.300 0.024 0.000 1.073 304 D CA -0.649 53.358 54.000 0.013 0.000 0.850 304 D CB 1.391 42.194 40.800 0.004 0.000 1.062 304 D HN -0.165 nan 8.370 nan 0.000 0.524 305 A N 3.106 125.943 122.820 0.027 0.000 1.986 305 A HA -0.219 4.101 4.320 0.001 0.000 0.220 305 A C 2.402 180.011 177.584 0.041 0.000 1.171 305 A CA 1.724 53.780 52.037 0.032 0.000 0.640 305 A CB -0.962 18.055 19.000 0.028 0.000 0.811 305 A HN 0.840 nan 8.150 nan 0.000 0.451 306 C N -1.106 118.219 119.300 0.042 0.000 2.419 306 C HA -0.010 4.450 4.460 0.001 0.000 0.283 306 C C 2.001 177.027 174.990 0.060 0.000 1.373 306 C CA 0.995 60.041 59.018 0.048 0.000 1.781 306 C CB -1.029 26.741 27.740 0.050 0.000 1.886 306 C HN 0.562 nan 8.230 nan 0.000 0.520 307 E N 1.306 121.545 120.200 0.065 0.000 2.274 307 E HA 0.134 4.485 4.350 0.001 0.000 0.194 307 E C 0.801 177.483 176.600 0.137 0.000 0.996 307 E CA 0.218 56.676 56.400 0.096 0.000 0.840 307 E CB -0.311 29.433 29.700 0.073 0.000 0.772 307 E HN 0.727 nan 8.360 nan 0.000 0.491 308 L N 1.181 122.466 121.223 0.104 0.000 2.530 308 L HA 0.108 4.449 4.340 0.001 0.000 0.273 308 L C 1.140 178.085 176.870 0.125 0.000 1.141 308 L CA 0.290 55.203 54.840 0.121 0.000 0.905 308 L CB 0.007 42.112 42.059 0.077 0.000 1.202 308 L HN 0.203 nan 8.230 nan 0.000 0.473 309 G N 2.770 111.692 108.800 0.203 0.000 2.221 309 G HA2 -0.333 3.627 3.960 0.001 0.000 0.265 309 G HA3 -0.333 3.627 3.960 0.001 0.000 0.265 309 G C 1.284 176.146 174.900 -0.063 0.000 1.041 309 G CA 0.685 45.813 45.100 0.047 0.000 0.807 309 G HN 0.819 nan 8.290 nan 0.000 0.502 310 R N -0.549 119.982 120.500 0.052 0.000 2.096 310 R HA -0.027 4.314 4.340 0.001 0.000 0.240 310 R C 1.828 178.074 176.300 -0.090 0.000 1.139 310 R CA 1.951 58.062 56.100 0.019 0.000 0.952 310 R CB -0.185 30.182 30.300 0.111 0.000 0.854 310 R HN 0.563 nan 8.270 nan 0.000 0.436 311 L N -0.990 120.075 121.223 -0.264 0.000 2.966 311 L HA 0.310 4.650 4.340 0.001 0.000 0.262 311 L C -0.025 176.597 176.870 -0.414 0.000 1.165 311 L CA -0.201 54.483 54.840 -0.261 0.000 0.978 311 L CB 0.883 42.876 42.059 -0.111 0.000 1.337 311 L HN 0.196 nan 8.230 nan 0.000 0.563 312 Q N -0.172 119.249 119.800 -0.632 0.000 2.386 312 Q HA 0.450 4.791 4.340 0.001 0.000 0.274 312 Q C -0.464 175.335 176.000 -0.333 0.000 1.011 312 Q CA -0.558 54.941 55.803 -0.507 0.000 0.867 312 Q CB 2.199 30.480 28.738 -0.762 0.000 1.409 312 Q HN 0.119 nan 8.270 nan 0.000 0.395 313 G N 3.429 112.135 108.800 -0.156 0.000 2.340 313 G HA2 0.394 4.354 3.960 0.001 0.000 0.245 313 G HA3 0.394 4.354 3.960 0.001 0.000 0.245 313 G C 0.023 174.915 174.900 -0.012 0.000 1.294 313 G CA -0.046 45.011 45.100 -0.072 0.000 0.896 313 G HN 0.627 nan 8.290 nan 0.000 0.522 314 I N -0.162 120.422 120.570 0.023 0.000 2.910 314 I HA 0.775 4.945 4.170 0.001 0.000 0.310 314 I C 0.864 177.015 176.117 0.056 0.000 1.043 314 I CA -1.317 60.030 61.300 0.079 0.000 1.053 314 I CB 2.278 40.358 38.000 0.133 0.000 1.242 314 I HN 0.425 nan 8.210 nan 0.000 0.452 315 A N 3.280 126.138 122.820 0.063 0.000 1.997 315 A HA 0.384 4.705 4.320 0.001 0.000 0.212 315 A C 0.457 178.067 177.584 0.044 0.000 1.178 315 A CA 0.736 52.801 52.037 0.047 0.000 0.698 315 A CB 0.055 19.084 19.000 0.047 0.000 0.842 315 A HN 0.644 nan 8.150 nan 0.000 0.458 316 L N -1.046 120.209 121.223 0.053 0.000 2.580 316 L HA 0.656 4.997 4.340 0.001 0.000 0.266 316 L C -0.484 176.417 176.870 0.051 0.000 0.955 316 L CA -0.127 54.740 54.840 0.046 0.000 0.886 316 L CB 1.384 43.469 42.059 0.044 0.000 1.263 316 L HN 0.095 nan 8.230 nan 0.000 0.406 317 G N 5.990 114.817 108.800 0.044 0.000 2.468 317 G HA2 0.627 4.588 3.960 0.001 0.000 0.315 317 G HA3 0.627 4.588 3.960 0.001 0.000 0.315 317 G C -0.934 173.985 174.900 0.033 0.000 1.203 317 G CA -0.282 44.845 45.100 0.046 0.000 0.962 317 G HN 0.537 nan 8.290 nan 0.000 0.476 318 I N 2.490 123.077 120.570 0.028 0.000 2.389 318 I HA 0.214 4.385 4.170 0.001 0.000 0.288 318 I C -0.287 175.837 176.117 0.012 0.000 0.999 318 I CA -0.954 60.356 61.300 0.016 0.000 1.129 318 I CB 2.394 40.399 38.000 0.009 0.000 1.288 318 I HN 0.058 nan 8.210 nan 0.000 0.444 319 V N 6.473 126.393 119.914 0.011 0.000 2.368 319 V HA 0.790 4.910 4.120 0.001 0.000 0.266 319 V C 0.326 176.421 176.094 0.001 0.000 1.045 319 V CA -0.011 62.294 62.300 0.008 0.000 0.899 319 V CB 0.567 32.397 31.823 0.011 0.000 1.006 319 V HN 0.895 nan 8.190 nan 0.000 0.470 320 A N 3.899 126.717 122.820 -0.004 0.000 2.540 320 A HA 0.613 4.933 4.320 0.001 0.000 0.291 320 A C -1.243 176.333 177.584 -0.012 0.000 1.083 320 A CA -0.760 51.272 52.037 -0.008 0.000 0.650 320 A CB 1.133 20.124 19.000 -0.014 0.000 1.292 320 A HN 0.684 nan 8.150 nan 0.000 0.435 321 D N -0.285 120.108 120.400 -0.013 0.000 2.350 321 D HA 0.387 5.028 4.640 0.001 0.000 0.249 321 D C 1.105 177.391 176.300 -0.023 0.000 1.119 321 D CA 0.163 54.154 54.000 -0.014 0.000 0.886 321 D CB 1.258 42.053 40.800 -0.007 0.000 1.195 321 D HN 0.210 nan 8.370 nan 0.000 0.437 322 V N 3.851 123.749 119.914 -0.026 0.000 2.358 322 V HA -0.066 4.054 4.120 0.001 0.000 0.246 322 V C 2.294 178.365 176.094 -0.038 0.000 1.047 322 V CA 2.160 64.439 62.300 -0.035 0.000 1.035 322 V CB -0.884 30.919 31.823 -0.033 0.000 0.658 322 V HN 0.829 nan 8.190 nan 0.000 0.452 323 G N 0.208 108.993 108.800 -0.026 0.000 2.459 323 G HA2 -0.186 3.775 3.960 0.001 0.000 0.217 323 G HA3 -0.186 3.775 3.960 0.001 0.000 0.217 323 G C 1.666 176.552 174.900 -0.024 0.000 1.183 323 G CA 0.989 46.077 45.100 -0.021 0.000 0.776 323 G HN 0.579 nan 8.290 nan 0.000 0.552 324 G N 0.079 108.870 108.800 -0.015 0.000 2.440 324 G HA2 -0.179 3.781 3.960 0.001 0.000 0.218 324 G HA3 -0.179 3.781 3.960 0.001 0.000 0.218 324 G C 1.852 176.721 174.900 -0.051 0.000 1.154 324 G CA 1.819 46.909 45.100 -0.017 0.000 0.767 324 G HN 0.405 nan 8.290 nan 0.000 0.552 325 T N 1.179 115.694 114.554 -0.064 0.000 2.777 325 T HA -0.012 4.338 4.350 0.001 0.000 0.266 325 T C 2.393 176.993 174.700 -0.167 0.000 1.040 325 T CA 0.870 62.910 62.100 -0.100 0.000 1.141 325 T CB -0.137 68.678 68.868 -0.088 0.000 0.868 325 T HN 0.253 nan 8.240 nan 0.000 0.444 326 I N 1.050 121.530 120.570 -0.150 0.000 2.208 326 I HA -0.172 3.999 4.170 0.001 0.000 0.245 326 I C 2.748 178.760 176.117 -0.176 0.000 1.097 326 I CA 1.171 62.356 61.300 -0.192 0.000 1.363 326 I CB -0.314 37.629 38.000 -0.096 0.000 1.051 326 I HN 0.178 nan 8.210 nan 0.000 0.413 327 E N 0.876 121.013 120.200 -0.105 0.000 2.058 327 E HA -0.226 4.124 4.350 0.001 0.000 0.194 327 E C 2.345 178.886 176.600 -0.100 0.000 0.997 327 E CA 1.574 57.925 56.400 -0.080 0.000 0.801 327 E CB -0.325 29.344 29.700 -0.051 0.000 0.746 327 E HN 0.529 nan 8.360 nan 0.000 0.450 328 A N 1.103 123.855 122.820 -0.113 0.000 1.902 328 A HA -0.127 4.194 4.320 0.001 0.000 0.217 328 A C 2.404 179.903 177.584 -0.143 0.000 1.181 328 A CA 1.060 53.035 52.037 -0.103 0.000 0.623 328 A CB -0.687 18.259 19.000 -0.090 0.000 0.818 328 A HN 0.162 nan 8.150 nan 0.000 0.443 329 L N -0.798 120.260 121.223 -0.275 0.000 2.056 329 L HA -0.169 4.172 4.340 0.001 0.000 0.207 329 L C 3.074 179.773 176.870 -0.285 0.000 1.078 329 L CA 1.043 55.609 54.840 -0.457 0.000 0.749 329 L CB -0.483 40.886 42.059 -1.150 0.000 0.901 329 L HN 0.425 nan 8.230 nan 0.000 0.433 330 A N -0.703 121.998 122.820 -0.199 0.000 1.898 330 A HA -0.252 4.068 4.320 0.001 0.000 0.216 330 A C 2.289 179.878 177.584 0.008 0.000 1.181 330 A CA 1.885 53.917 52.037 -0.009 0.000 0.620 330 A CB -0.708 18.293 19.000 0.001 0.000 0.819 330 A HN 0.367 nan 8.150 nan 0.000 0.442 331 Q N -0.490 119.297 119.800 -0.022 0.000 2.050 331 Q HA -0.108 4.232 4.340 0.001 0.000 0.202 331 Q C 2.405 178.422 176.000 0.027 0.000 0.980 331 Q CA 2.102 57.904 55.803 -0.003 0.000 0.840 331 Q CB -0.999 27.726 28.738 -0.022 0.000 0.898 331 Q HN 0.957 nan 8.270 nan 0.000 0.424 332 A N 0.559 123.397 122.820 0.030 0.000 1.877 332 A HA -0.156 4.165 4.320 0.001 0.000 0.216 332 A C 2.488 180.164 177.584 0.154 0.000 1.186 332 A CA 2.477 54.562 52.037 0.082 0.000 0.620 332 A CB -1.245 17.804 19.000 0.081 0.000 0.822 332 A HN 0.827 nan 8.150 nan 0.000 0.443 333 T N -2.783 111.871 114.554 0.166 0.000 3.055 333 T HA 0.324 4.674 4.350 0.001 0.000 0.265 333 T C 1.720 176.519 174.700 0.165 0.000 1.111 333 T CA 1.100 63.333 62.100 0.223 0.000 1.118 333 T CB -0.179 68.731 68.868 0.070 0.000 0.909 333 T HN 0.499 nan 8.240 nan 0.000 0.501 334 A N 1.526 124.411 122.820 0.108 0.000 2.014 334 A HA -0.008 4.312 4.320 0.001 0.000 0.218 334 A C 2.395 180.033 177.584 0.090 0.000 1.163 334 A CA 0.703 52.789 52.037 0.081 0.000 0.652 334 A CB -0.362 18.669 19.000 0.051 0.000 0.808 334 A HN 0.424 nan 8.150 nan 0.000 0.449 335 Q N 0.725 120.586 119.800 0.101 0.000 2.451 335 Q HA 0.029 4.369 4.340 0.001 0.000 0.206 335 Q C -0.636 175.429 176.000 0.107 0.000 0.947 335 Q CA 0.332 56.187 55.803 0.086 0.000 0.937 335 Q CB -0.091 28.690 28.738 0.071 0.000 1.025 335 Q HN 0.548 nan 8.270 nan 0.000 0.511 336 D N 0.308 120.811 120.400 0.171 0.000 2.308 336 D HA 0.222 4.863 4.640 0.001 0.000 0.251 336 D C 0.731 177.126 176.300 0.158 0.000 1.127 336 D CA 0.025 54.143 54.000 0.197 0.000 0.876 336 D CB 1.623 42.675 40.800 0.420 0.000 1.176 336 D HN 0.008 nan 8.370 nan 0.000 0.446 337 A N 2.067 124.941 122.820 0.089 0.000 1.930 337 A HA 0.327 4.647 4.320 0.001 0.000 0.217 337 A C 0.806 178.440 177.584 0.084 0.000 1.175 337 A CA 1.476 53.552 52.037 0.065 0.000 0.627 337 A CB 0.112 19.128 19.000 0.026 0.000 0.815 337 A HN 0.631 nan 8.150 nan 0.000 0.443 338 A N -3.170 119.700 122.820 0.083 0.000 2.594 338 A HA 0.533 4.854 4.320 0.001 0.000 0.296 338 A C -1.811 175.790 177.584 0.028 0.000 1.061 338 A CA -0.466 51.628 52.037 0.095 0.000 0.689 338 A CB 0.302 19.317 19.000 0.025 0.000 1.280 338 A HN 0.377 nan 8.150 nan 0.000 0.406 339 W N 0.912 122.217 121.300 0.009 0.000 2.781 339 W HA 0.651 5.312 4.660 0.001 0.000 0.345 339 W C -2.214 174.309 176.519 0.007 0.000 1.085 339 W CA -1.601 55.748 57.345 0.008 0.000 1.198 339 W CB 1.156 30.615 29.460 -0.002 0.000 1.423 339 W HN 0.523 nan 8.180 nan 0.000 0.532 340 P HA -0.084 nan 4.420 nan 0.000 0.264 340 P C -0.292 177.097 177.300 0.147 0.000 1.183 340 P CA 0.241 63.409 63.100 0.114 0.000 0.763 340 P CB 0.555 32.313 31.700 0.096 0.000 0.807 341 D N 2.626 123.086 120.400 0.100 0.000 2.425 341 D HA -0.000 4.640 4.640 0.001 0.000 0.247 341 D C 0.182 176.549 176.300 0.112 0.000 1.147 341 D CA 0.201 54.257 54.000 0.094 0.000 0.879 341 D CB 0.610 41.449 40.800 0.066 0.000 1.179 341 D HN 0.299 nan 8.370 nan 0.000 0.456 342 R N 2.434 123.008 120.500 0.123 0.000 2.629 342 R HA 0.190 4.530 4.340 0.001 0.000 0.386 342 R C 1.647 178.039 176.300 0.153 0.000 1.071 342 R CA -0.296 55.910 56.100 0.177 0.000 1.104 342 R CB 0.903 31.343 30.300 0.234 0.000 1.370 342 R HN 0.486 nan 8.270 nan 0.000 0.574 343 G N 1.437 110.295 108.800 0.096 0.000 2.476 343 G HA2 -0.292 3.668 3.960 0.001 0.000 0.218 343 G HA3 -0.292 3.668 3.960 0.001 0.000 0.218 343 G C 0.903 175.848 174.900 0.075 0.000 1.164 343 G CA 1.054 46.190 45.100 0.061 0.000 0.768 343 G HN 0.182 nan 8.290 nan 0.000 0.560 344 D N -0.770 119.697 120.400 0.111 0.000 2.117 344 D HA -0.101 4.539 4.640 0.001 0.000 0.197 344 D C 1.875 178.298 176.300 0.204 0.000 0.987 344 D CA 0.592 54.667 54.000 0.125 0.000 0.829 344 D CB -0.448 40.424 40.800 0.120 0.000 0.961 344 D HN 0.600 nan 8.370 nan 0.000 0.460 345 W N 0.996 122.319 121.300 0.039 0.000 2.379 345 W HA -0.231 4.429 4.660 0.001 0.000 0.307 345 W C 1.911 178.476 176.519 0.076 0.000 1.200 345 W CA 0.685 58.069 57.345 0.066 0.000 1.297 345 W CB -0.305 29.203 29.460 0.079 0.000 1.140 345 W HN -0.012 nan 8.180 nan 0.000 0.507 346 C N 1.006 120.257 119.300 -0.082 0.000 2.413 346 C HA -0.177 4.283 4.460 0.001 0.000 0.276 346 C C 3.178 178.057 174.990 -0.185 0.000 1.248 346 C CA 1.809 60.690 59.018 -0.229 0.000 1.742 346 C CB -1.626 26.044 27.740 -0.116 0.000 2.017 346 C HN 0.517 nan 8.230 nan 0.000 0.481 347 A N 0.392 123.162 122.820 -0.083 0.000 1.902 347 A HA -0.220 4.100 4.320 0.001 0.000 0.217 347 A C 2.061 179.594 177.584 -0.085 0.000 1.181 347 A CA 2.286 54.283 52.037 -0.066 0.000 0.623 347 A CB -0.501 18.487 19.000 -0.020 0.000 0.818 347 A HN 0.533 nan 8.150 nan 0.000 0.443 348 K N -0.033 120.323 120.400 -0.074 0.000 2.032 348 K HA -0.084 4.236 4.320 0.001 0.000 0.209 348 K C 1.725 178.185 176.600 -0.234 0.000 1.048 348 K CA 1.858 58.084 56.287 -0.101 0.000 0.927 348 K CB -0.835 31.697 32.500 0.053 0.000 0.712 348 K HN 0.182 nan 8.250 nan 0.000 0.441 349 V N 0.577 120.293 119.914 -0.329 0.000 2.252 349 V HA -0.316 3.805 4.120 0.001 0.000 0.249 349 V C 2.140 178.186 176.094 -0.082 0.000 1.056 349 V CA 2.470 64.671 62.300 -0.165 0.000 1.022 349 V CB -0.858 30.785 31.823 -0.300 0.000 0.641 349 V HN 0.478 nan 8.190 nan 0.000 0.445 350 T N -0.350 114.125 114.554 -0.131 0.000 2.684 350 T HA -0.220 4.131 4.350 0.001 0.000 0.267 350 T C 1.644 176.303 174.700 -0.068 0.000 1.036 350 T CA 1.861 63.903 62.100 -0.097 0.000 1.148 350 T CB -0.433 68.374 68.868 -0.102 0.000 0.863 350 T HN 0.505 nan 8.240 nan 0.000 0.436 351 D N 0.901 121.253 120.400 -0.080 0.000 2.144 351 D HA 0.004 4.645 4.640 0.001 0.000 0.199 351 D C 2.120 178.383 176.300 -0.062 0.000 0.984 351 D CA 0.683 54.645 54.000 -0.064 0.000 0.834 351 D CB -0.404 40.356 40.800 -0.067 0.000 0.955 351 D HN 0.313 nan 8.370 nan 0.000 0.465 352 L N 0.509 121.664 121.223 -0.114 0.000 2.093 352 L HA -0.093 4.247 4.340 0.001 0.000 0.208 352 L C 2.480 179.371 176.870 0.034 0.000 1.085 352 L CA 0.973 55.743 54.840 -0.116 0.000 0.755 352 L CB -0.334 41.483 42.059 -0.403 0.000 0.904 352 L HN -0.027 nan 8.230 nan 0.000 0.435 353 A N -0.197 122.668 122.820 0.076 0.000 1.877 353 A HA -0.276 4.044 4.320 0.001 0.000 0.216 353 A C 2.472 180.120 177.584 0.108 0.000 1.186 353 A CA 2.181 54.289 52.037 0.119 0.000 0.620 353 A CB -0.966 18.082 19.000 0.080 0.000 0.822 353 A HN 0.430 nan 8.150 nan 0.000 0.443 354 Q N -0.855 118.977 119.800 0.053 0.000 2.096 354 Q HA -0.207 4.134 4.340 0.001 0.000 0.204 354 Q C 2.035 178.101 176.000 0.110 0.000 0.982 354 Q CA 2.405 58.247 55.803 0.064 0.000 0.850 354 Q CB -1.288 27.456 28.738 0.010 0.000 0.901 354 Q HN 0.814 nan 8.270 nan 0.000 0.422 355 E N 0.089 120.330 120.200 0.068 0.000 2.110 355 E HA -0.198 4.153 4.350 0.001 0.000 0.193 355 E C 2.158 178.806 176.600 0.080 0.000 0.988 355 E CA 1.308 57.743 56.400 0.059 0.000 0.804 355 E CB -0.282 29.431 29.700 0.023 0.000 0.745 355 E HN 0.771 nan 8.360 nan 0.000 0.458 356 R N -1.671 118.894 120.500 0.108 0.000 2.062 356 R HA -0.143 4.197 4.340 0.001 0.000 0.231 356 R C 2.451 178.814 176.300 0.104 0.000 1.136 356 R CA 1.840 58.004 56.100 0.107 0.000 0.948 356 R CB -0.768 29.617 30.300 0.141 0.000 0.845 356 R HN 0.534 nan 8.270 nan 0.000 0.430 357 Y N 0.775 121.106 120.300 0.051 0.000 2.128 357 Y HA -0.263 4.288 4.550 0.001 0.000 0.284 357 Y C 2.194 178.110 175.900 0.028 0.000 1.154 357 Y CA 2.095 60.243 58.100 0.080 0.000 1.149 357 Y CB -0.387 38.154 38.460 0.135 0.000 0.976 357 Y HN 0.258 nan 8.280 nan 0.000 0.505 358 A N -1.094 121.867 122.820 0.234 0.000 1.902 358 A HA -0.221 4.099 4.320 0.001 0.000 0.217 358 A C 2.458 180.035 177.584 -0.010 0.000 1.181 358 A CA 1.933 54.050 52.037 0.132 0.000 0.623 358 A CB -1.417 17.658 19.000 0.125 0.000 0.818 358 A HN 0.520 nan 8.150 nan 0.000 0.443 359 S N -0.307 115.378 115.700 -0.025 0.000 2.359 359 S HA -0.158 4.312 4.470 0.001 0.000 0.224 359 S C 1.898 176.402 174.600 -0.158 0.000 1.035 359 S CA 1.626 59.790 58.200 -0.061 0.000 1.018 359 S CB -0.550 62.633 63.200 -0.029 0.000 0.876 359 S HN 0.484 nan 8.310 nan 0.000 0.448 360 I N 1.676 122.077 120.570 -0.281 0.000 2.226 360 I HA -0.163 4.008 4.170 0.001 0.000 0.245 360 I C 2.798 178.497 176.117 -0.697 0.000 1.100 360 I CA 1.166 62.150 61.300 -0.527 0.000 1.374 360 I CB -0.551 36.972 38.000 -0.794 0.000 1.057 360 I HN 0.368 nan 8.210 nan 0.000 0.413 361 A N 0.781 123.235 122.820 -0.610 0.000 1.908 361 A HA -0.179 4.141 4.320 0.001 0.000 0.218 361 A C 2.551 180.066 177.584 -0.114 0.000 1.181 361 A CA 1.962 53.852 52.037 -0.245 0.000 0.627 361 A CB -0.883 18.118 19.000 0.002 0.000 0.818 361 A HN 0.439 nan 8.150 nan 0.000 0.445 362 A N -0.591 122.165 122.820 -0.107 0.000 1.902 362 A HA 0.056 4.376 4.320 0.001 0.000 0.217 362 A C 2.360 179.897 177.584 -0.079 0.000 1.181 362 A CA 2.677 54.679 52.037 -0.057 0.000 0.623 362 A CB -0.810 18.168 19.000 -0.037 0.000 0.818 362 A HN 0.713 nan 8.150 nan 0.000 0.443 363 K N -0.174 120.150 120.400 -0.127 0.000 2.296 363 K HA 0.225 4.546 4.320 0.001 0.000 0.200 363 K C 0.988 177.484 176.600 -0.172 0.000 1.048 363 K CA 1.059 57.282 56.287 -0.108 0.000 0.966 363 K CB -0.696 31.759 32.500 -0.075 0.000 0.754 363 K HN 0.449 nan 8.250 nan 0.000 0.466 364 S N 0.881 116.376 115.700 -0.342 0.000 2.489 364 S HA 0.428 4.898 4.470 0.001 0.000 0.277 364 S C -0.236 174.147 174.600 -0.363 0.000 1.230 364 S CA -0.318 57.437 58.200 -0.741 0.000 1.053 364 S CB 1.241 63.691 63.200 -1.250 0.000 0.955 364 S HN 0.492 nan 8.310 nan 0.000 0.488 365 S N 2.027 117.593 115.700 -0.224 0.000 2.557 365 S HA 0.436 4.907 4.470 0.001 0.000 0.291 365 S C -0.077 174.611 174.600 0.146 0.000 1.116 365 S CA -0.700 57.536 58.200 0.060 0.000 0.992 365 S CB 1.310 64.531 63.200 0.036 0.000 1.028 365 S HN 0.447 nan 8.310 nan 0.000 0.484 366 S N 3.412 119.245 115.700 0.222 0.000 2.537 366 S HA 0.164 4.635 4.470 0.001 0.000 0.246 366 S C 1.258 175.880 174.600 0.037 0.000 1.036 366 S CA -0.425 57.885 58.200 0.183 0.000 1.041 366 S CB 0.088 63.445 63.200 0.261 0.000 0.799 366 S HN 0.852 nan 8.310 nan 0.000 0.456 367 E N 1.267 121.434 120.200 -0.055 0.000 2.077 367 E HA -0.189 4.161 4.350 0.001 0.000 0.193 367 E C 1.055 177.477 176.600 -0.297 0.000 0.989 367 E CA 1.244 57.502 56.400 -0.238 0.000 0.800 367 E CB 0.064 29.517 29.700 -0.412 0.000 0.746 367 E HN 0.562 nan 8.360 nan 0.000 0.452 368 H N -1.462 117.634 119.070 0.044 0.000 2.729 368 H HA 0.448 5.005 4.556 0.001 0.000 0.263 368 H C 0.162 175.508 175.328 0.029 0.000 0.961 368 H CA 0.809 56.877 56.048 0.033 0.000 1.217 368 H CB 1.255 31.035 29.762 0.030 0.000 1.447 368 H HN 0.145 nan 8.280 nan 0.000 0.496 369 A N 0.791 123.688 122.820 0.128 0.000 2.612 369 A HA 0.372 4.693 4.320 0.001 0.000 0.293 369 A C -1.467 176.150 177.584 0.056 0.000 1.075 369 A CA -0.765 51.316 52.037 0.072 0.000 0.680 369 A CB 1.170 20.204 19.000 0.057 0.000 1.279 369 A HN 0.070 nan 8.150 nan 0.000 0.411 370 L N 1.541 122.780 121.223 0.027 0.000 2.477 370 L HA 0.308 4.648 4.340 0.001 0.000 0.272 370 L C 0.318 177.190 176.870 0.004 0.000 1.157 370 L CA 0.648 55.512 54.840 0.040 0.000 0.889 370 L CB -0.431 41.629 42.059 0.001 0.000 1.158 370 L HN 0.778 nan 8.230 nan 0.000 0.473 371 H N 6.908 125.947 119.070 -0.050 0.000 2.683 371 H HA 0.220 4.776 4.556 0.001 0.000 0.339 371 H C -1.783 173.351 175.328 -0.324 0.000 1.081 371 H CA -0.980 54.926 56.048 -0.237 0.000 1.432 371 H CB 1.134 30.665 29.762 -0.386 0.000 1.462 371 H HN 0.552 nan 8.280 nan 0.000 0.557 372 P HA -0.215 nan 4.420 nan 0.000 0.216 372 P C 1.126 178.231 177.300 -0.326 0.000 1.150 372 P CA 1.265 64.005 63.100 -0.600 0.000 0.843 372 P CB -0.040 30.915 31.700 -1.241 0.000 0.787 373 F N -0.544 119.162 119.950 -0.407 0.000 2.146 373 F HA -0.228 4.300 4.527 0.001 0.000 0.298 373 F C 2.368 178.143 175.800 -0.042 0.000 1.096 373 F CA 1.559 59.456 58.000 -0.172 0.000 1.275 373 F CB -0.363 38.464 39.000 -0.287 0.000 1.008 373 F HN -0.027 nan 8.300 nan 0.000 0.480 374 H N 0.088 119.145 119.070 -0.021 0.000 2.353 374 H HA -0.024 4.533 4.556 0.001 0.000 0.300 374 H C 2.394 177.690 175.328 -0.053 0.000 1.090 374 H CA 1.113 57.105 56.048 -0.094 0.000 1.327 374 H CB -1.105 28.659 29.762 0.004 0.000 1.383 374 H HN 0.397 nan 8.280 nan 0.000 0.508 375 A N 0.551 123.452 122.820 0.134 0.000 1.902 375 A HA -0.173 4.147 4.320 0.001 0.000 0.217 375 A C 2.696 180.417 177.584 0.229 0.000 1.181 375 A CA 1.878 54.057 52.037 0.237 0.000 0.623 375 A CB -0.649 18.398 19.000 0.078 0.000 0.818 375 A HN 0.378 nan 8.150 nan 0.000 0.443 376 S N -0.218 115.519 115.700 0.063 0.000 2.370 376 S HA -0.232 4.238 4.470 0.001 0.000 0.226 376 S C 2.075 176.641 174.600 -0.057 0.000 1.033 376 S CA 1.632 59.851 58.200 0.031 0.000 1.011 376 S CB -0.372 62.846 63.200 0.030 0.000 0.852 376 S HN 0.712 nan 8.310 nan 0.000 0.457 377 Q N 0.349 120.032 119.800 -0.195 0.000 2.124 377 Q HA -0.069 4.272 4.340 0.001 0.000 0.202 377 Q C 2.265 178.201 176.000 -0.106 0.000 0.977 377 Q CA 1.228 56.921 55.803 -0.182 0.000 0.850 377 Q CB -0.366 28.229 28.738 -0.240 0.000 0.901 377 Q HN 0.368 nan 8.270 nan 0.000 0.429 378 V N 0.953 120.813 119.914 -0.090 0.000 2.407 378 V HA -0.269 3.852 4.120 0.001 0.000 0.248 378 V C 2.058 178.049 176.094 -0.172 0.000 1.055 378 V CA 1.620 63.808 62.300 -0.187 0.000 1.049 378 V CB -0.420 31.189 31.823 -0.356 0.000 0.662 378 V HN 0.344 nan 8.190 nan 0.000 0.455 379 I N 0.342 120.857 120.570 -0.091 0.000 2.286 379 I HA -0.170 4.000 4.170 0.001 0.000 0.245 379 I C 2.679 178.808 176.117 0.019 0.000 1.104 379 I CA 1.305 62.601 61.300 -0.007 0.000 1.397 379 I CB -0.650 37.395 38.000 0.075 0.000 1.072 379 I HN 0.254 nan 8.210 nan 0.000 0.417 380 A N 1.996 124.807 122.820 -0.016 0.000 1.948 380 A HA -0.277 4.043 4.320 0.001 0.000 0.220 380 A C 2.303 179.843 177.584 -0.072 0.000 1.177 380 A CA 2.264 54.284 52.037 -0.029 0.000 0.636 380 A CB -0.756 18.228 19.000 -0.027 0.000 0.815 380 A HN 0.584 nan 8.150 nan 0.000 0.449 381 K N -1.514 118.803 120.400 -0.137 0.000 2.360 381 K HA -0.176 4.145 4.320 0.001 0.000 0.201 381 K C 1.027 177.411 176.600 -0.360 0.000 1.046 381 K CA 1.620 57.753 56.287 -0.256 0.000 0.945 381 K CB -0.403 31.898 32.500 -0.332 0.000 0.750 381 K HN 0.653 nan 8.250 nan 0.000 0.464 382 H N 0.345 119.360 119.070 -0.092 0.000 2.586 382 H HA 0.194 4.750 4.556 0.001 0.000 0.273 382 H C -0.243 175.050 175.328 -0.058 0.000 0.997 382 H CA -0.149 55.851 56.048 -0.081 0.000 1.177 382 H CB 0.737 30.441 29.762 -0.098 0.000 1.471 382 H HN -0.061 nan 8.280 nan 0.000 0.538 383 V N 4.089 124.020 119.914 0.028 0.000 2.385 383 V HA 0.136 4.257 4.120 0.001 0.000 0.269 383 V C 0.057 176.144 176.094 -0.012 0.000 1.043 383 V CA -0.221 62.087 62.300 0.015 0.000 0.906 383 V CB 1.127 32.953 31.823 0.004 0.000 0.995 383 V HN 0.460 nan 8.190 nan 0.000 0.467 384 D N 4.127 124.524 120.400 -0.005 0.000 2.921 384 D HA 0.447 5.088 4.640 0.001 0.000 0.329 384 D C 0.915 177.210 176.300 -0.009 0.000 1.293 384 D CA -0.018 53.972 54.000 -0.017 0.000 0.964 384 D CB 1.116 41.902 40.800 -0.022 0.000 1.435 384 D HN 0.358 nan 8.370 nan 0.000 0.548 385 A N -0.530 122.281 122.820 -0.014 0.000 2.076 385 A HA 0.147 4.468 4.320 0.001 0.000 0.220 385 A C 1.862 179.442 177.584 -0.006 0.000 1.160 385 A CA 1.974 54.005 52.037 -0.011 0.000 0.653 385 A CB -1.434 17.557 19.000 -0.015 0.000 0.801 385 A HN 0.652 nan 8.150 nan 0.000 0.455 386 G N -1.463 107.334 108.800 -0.004 0.000 2.920 386 G HA2 0.373 4.333 3.960 0.001 0.000 0.208 386 G HA3 0.373 4.333 3.960 0.001 0.000 0.208 386 G C 0.093 174.994 174.900 0.003 0.000 1.159 386 G CA 0.584 45.684 45.100 -0.001 0.000 0.784 386 G HN 0.271 nan 8.290 nan 0.000 0.535 387 V N 0.126 120.044 119.914 0.007 0.000 2.656 387 V HA 0.463 4.583 4.120 0.001 0.000 0.307 387 V C -0.451 175.655 176.094 0.019 0.000 1.051 387 V CA -0.658 61.650 62.300 0.013 0.000 0.893 387 V CB 2.144 33.980 31.823 0.022 0.000 0.999 387 V HN 0.004 nan 8.190 nan 0.000 0.426 388 T N 3.771 118.333 114.554 0.013 0.000 2.771 388 T HA 0.534 4.885 4.350 0.001 0.000 0.281 388 T C -0.353 174.363 174.700 0.026 0.000 0.982 388 T CA -0.280 61.831 62.100 0.018 0.000 0.978 388 T CB 1.396 70.256 68.868 -0.013 0.000 0.930 388 T HN 0.361 nan 8.240 nan 0.000 0.447 389 V N 4.727 124.690 119.914 0.082 0.000 2.394 389 V HA 0.440 4.561 4.120 0.001 0.000 0.282 389 V C -0.018 176.061 176.094 -0.025 0.000 1.031 389 V CA -0.637 61.724 62.300 0.101 0.000 0.881 389 V CB 1.536 33.521 31.823 0.270 0.000 0.982 389 V HN 0.668 nan 8.190 nan 0.000 0.451 390 V N 3.971 123.814 119.914 -0.118 0.000 2.513 390 V HA 0.853 4.973 4.120 0.001 0.000 0.299 390 V C 0.242 176.174 176.094 -0.271 0.000 1.035 390 V CA -0.518 61.621 62.300 -0.268 0.000 0.889 390 V CB 1.716 33.401 31.823 -0.229 0.000 0.988 390 V HN 0.976 nan 8.190 nan 0.000 0.440 391 A N 2.987 125.549 122.820 -0.431 0.000 2.343 391 A HA 0.814 5.134 4.320 0.001 0.000 0.316 391 A C -0.809 176.482 177.584 -0.489 0.000 1.104 391 A CA -0.367 51.470 52.037 -0.332 0.000 0.768 391 A CB 1.564 20.415 19.000 -0.248 0.000 1.213 391 A HN 0.769 nan 8.150 nan 0.000 0.456 392 D N 0.645 120.872 120.400 -0.288 0.000 2.846 392 D HA 0.694 5.335 4.640 0.001 0.000 0.273 392 D C 0.824 177.194 176.300 0.116 0.000 1.145 392 D CA 0.906 54.750 54.000 -0.260 0.000 1.091 392 D CB 1.548 42.238 40.800 -0.184 0.000 1.364 392 D HN 1.490 nan 8.370 nan 0.000 0.613 393 G N -0.652 108.295 108.800 0.245 0.000 2.601 393 G HA2 0.184 4.144 3.960 0.001 0.000 0.252 393 G HA3 0.184 4.144 3.960 0.001 0.000 0.252 393 G C 0.243 175.404 174.900 0.436 0.000 1.294 393 G CA 1.063 46.332 45.100 0.282 0.000 0.912 393 G HN 1.064 nan 8.290 nan 0.000 0.574 394 A N -2.539 120.432 122.820 0.252 0.000 1.761 394 A HA 0.669 4.990 4.320 0.001 0.000 0.168 394 A C 2.337 179.789 177.584 -0.220 0.000 1.884 394 A CA 0.977 53.074 52.037 0.099 0.000 1.217 394 A CB -0.509 18.545 19.000 0.091 0.000 0.934 394 A HN 1.193 nan 8.150 nan 0.000 0.682 395 L N 0.815 121.966 121.223 -0.120 0.000 2.051 395 L HA -0.234 4.106 4.340 0.001 0.000 0.214 395 L C 2.682 179.575 176.870 0.039 0.000 1.076 395 L CA 2.032 56.807 54.840 -0.108 0.000 0.758 395 L CB -0.989 41.046 42.059 -0.039 0.000 0.890 395 L HN 0.508 nan 8.230 nan 0.000 0.433 396 T N -0.517 114.094 114.554 0.094 0.000 2.624 396 T HA -0.279 4.072 4.350 0.001 0.000 0.268 396 T C 1.650 176.457 174.700 0.178 0.000 1.041 396 T CA 2.333 64.528 62.100 0.157 0.000 1.159 396 T CB -0.500 68.442 68.868 0.122 0.000 0.863 396 T HN 0.601 nan 8.240 nan 0.000 0.434 397 Y N 0.910 121.266 120.300 0.093 0.000 2.395 397 Y HA 0.270 4.820 4.550 0.001 0.000 0.293 397 Y C 1.932 177.882 175.900 0.083 0.000 1.123 397 Y CA 0.275 58.411 58.100 0.061 0.000 1.227 397 Y CB -0.844 37.585 38.460 -0.051 0.000 1.012 397 Y HN 0.119 nan 8.280 nan 0.000 0.552 398 L N -1.028 119.903 121.223 -0.487 0.000 2.046 398 L HA -0.169 4.172 4.340 0.001 0.000 0.208 398 L C 2.235 179.024 176.870 -0.134 0.000 1.077 398 L CA 1.724 56.340 54.840 -0.374 0.000 0.747 398 L CB -0.665 41.071 42.059 -0.539 0.000 0.896 398 L HN 0.343 nan 8.230 nan 0.000 0.432 399 W N -0.355 120.948 121.300 0.005 0.000 2.379 399 W HA -0.216 4.445 4.660 0.001 0.000 0.307 399 W C 2.405 179.015 176.519 0.151 0.000 1.200 399 W CA 0.206 57.615 57.345 0.106 0.000 1.297 399 W CB -0.297 29.220 29.460 0.095 0.000 1.140 399 W HN 0.060 nan 8.180 nan 0.000 0.507 400 L N 1.091 122.530 121.223 0.359 0.000 2.079 400 L HA -0.235 4.106 4.340 0.001 0.000 0.210 400 L C 2.626 179.635 176.870 0.232 0.000 1.081 400 L CA 2.473 57.475 54.840 0.270 0.000 0.752 400 L CB -1.134 41.079 42.059 0.257 0.000 0.896 400 L HN 0.011 nan 8.230 nan 0.000 0.433 401 S N -1.551 114.298 115.700 0.248 0.000 2.419 401 S HA -0.170 4.300 4.470 0.001 0.000 0.233 401 S C 1.740 176.461 174.600 0.201 0.000 1.016 401 S CA 1.042 59.374 58.200 0.221 0.000 0.974 401 S CB -0.626 62.774 63.200 0.333 0.000 0.786 401 S HN 0.547 nan 8.310 nan 0.000 0.492 402 E N 1.255 121.616 120.200 0.268 0.000 2.268 402 E HA -0.033 4.318 4.350 0.001 0.000 0.195 402 E C 2.135 178.977 176.600 0.404 0.000 0.995 402 E CA 1.260 57.863 56.400 0.339 0.000 0.836 402 E CB -0.269 29.698 29.700 0.444 0.000 0.763 402 E HN 0.781 nan 8.360 nan 0.000 0.491 403 V N -3.120 116.971 119.914 0.295 0.000 3.660 403 V HA 0.113 4.234 4.120 0.001 0.000 0.276 403 V C 1.751 177.904 176.094 0.099 0.000 1.317 403 V CA 0.119 62.570 62.300 0.252 0.000 1.097 403 V CB 0.067 31.957 31.823 0.112 0.000 0.863 403 V HN -0.020 nan 8.190 nan 0.000 0.438 404 M N 0.578 120.191 119.600 0.023 0.000 2.447 404 M HA 0.108 4.589 4.480 0.001 0.000 0.264 404 M C 2.179 178.407 176.300 -0.119 0.000 1.095 404 M CA 1.087 56.304 55.300 -0.138 0.000 1.125 404 M CB -0.851 31.509 32.600 -0.399 0.000 1.389 404 M HN 0.485 nan 8.290 nan 0.000 0.459 405 S N 0.953 116.632 115.700 -0.035 0.000 2.406 405 S HA -0.067 4.403 4.470 0.001 0.000 0.228 405 S C 1.785 176.341 174.600 -0.072 0.000 1.020 405 S CA 0.871 59.044 58.200 -0.045 0.000 0.965 405 S CB -0.115 63.092 63.200 0.011 0.000 0.798 405 S HN 0.532 nan 8.310 nan 0.000 0.488 406 R N 1.434 121.892 120.500 -0.069 0.000 2.275 406 R HA 0.111 4.451 4.340 0.001 0.000 0.199 406 R C 0.860 177.096 176.300 -0.107 0.000 0.989 406 R CA 0.317 56.347 56.100 -0.116 0.000 1.016 406 R CB -0.788 29.398 30.300 -0.191 0.000 0.918 406 R HN 0.398 nan 8.270 nan 0.000 0.473 407 V N -0.707 119.152 119.914 -0.090 0.000 3.109 407 V HA 0.402 4.523 4.120 0.001 0.000 0.317 407 V C -0.260 175.784 176.094 -0.082 0.000 1.074 407 V CA -1.146 61.104 62.300 -0.083 0.000 1.033 407 V CB 1.442 33.223 31.823 -0.070 0.000 1.111 407 V HN 0.014 nan 8.190 nan 0.000 0.458 408 K N 2.315 122.676 120.400 -0.066 0.000 2.682 408 K HA 0.418 4.738 4.320 0.001 0.000 0.189 408 K C -2.763 173.816 176.600 -0.036 0.000 1.062 408 K CA -1.496 54.757 56.287 -0.056 0.000 0.997 408 K CB 1.043 33.510 32.500 -0.055 0.000 1.405 408 K HN 0.596 nan 8.250 nan 0.000 0.588 409 P HA -0.017 nan 4.420 nan 0.000 0.271 409 P C 0.690 177.997 177.300 0.013 0.000 1.218 409 P CA 0.091 63.193 63.100 0.004 0.000 0.780 409 P CB 1.346 33.064 31.700 0.030 0.000 0.901 410 G N 2.137 110.945 108.800 0.014 0.000 2.408 410 G HA2 0.084 4.045 3.960 0.001 0.000 0.217 410 G HA3 0.084 4.045 3.960 0.001 0.000 0.217 410 G C 0.682 175.593 174.900 0.019 0.000 1.150 410 G CA 0.724 45.829 45.100 0.008 0.000 0.776 410 G HN 0.791 nan 8.290 nan 0.000 0.542 411 G N -1.669 107.156 108.800 0.042 0.000 2.659 411 G HA2 0.509 4.470 3.960 0.001 0.000 0.296 411 G HA3 0.509 4.470 3.960 0.001 0.000 0.296 411 G C -2.105 172.887 174.900 0.153 0.000 1.369 411 G CA -0.748 44.386 45.100 0.058 0.000 0.937 411 G HN 0.201 nan 8.290 nan 0.000 0.485 412 F N 1.680 121.607 119.950 -0.038 0.000 2.653 412 F HA 0.611 5.139 4.527 0.001 0.000 0.327 412 F C -1.412 174.351 175.800 -0.061 0.000 1.195 412 F CA -1.201 56.774 58.000 -0.042 0.000 0.993 412 F CB 1.504 40.498 39.000 -0.010 0.000 1.259 412 F HN 0.311 nan 8.300 nan 0.000 0.478 413 L N 7.377 128.234 121.223 -0.611 0.000 2.353 413 L HA 0.463 4.804 4.340 0.001 0.000 0.270 413 L C -0.472 175.917 176.870 -0.802 0.000 1.003 413 L CA -0.568 53.941 54.840 -0.551 0.000 0.862 413 L CB 1.214 43.078 42.059 -0.326 0.000 1.221 413 L HN 0.690 nan 8.230 nan 0.000 0.430 414 C N 1.297 120.087 119.300 -0.850 0.000 2.564 414 C HA 0.492 4.953 4.460 0.001 0.000 0.381 414 C C 0.614 175.223 174.990 -0.635 0.000 1.297 414 C CA -0.447 58.023 59.018 -0.912 0.000 1.846 414 C CB 1.301 28.361 27.740 -1.133 0.000 2.198 414 C HN 0.766 nan 8.230 nan 0.000 0.507 415 H N -0.031 118.661 119.070 -0.630 0.000 2.948 415 H HA 0.369 4.925 4.556 0.001 0.000 0.351 415 H C 0.823 176.021 175.328 -0.217 0.000 1.079 415 H CA 1.319 57.118 56.048 -0.414 0.000 1.407 415 H CB 0.566 30.045 29.762 -0.471 0.000 1.373 415 H HN 0.834 nan 8.280 nan 0.000 0.605 416 G N 0.731 109.540 108.800 0.014 0.000 2.940 416 G HA2 -0.006 3.954 3.960 0.001 0.000 0.164 416 G HA3 -0.006 3.954 3.960 0.001 0.000 0.164 416 G C -0.118 174.851 174.900 0.116 0.000 1.326 416 G CA -0.430 44.662 45.100 -0.012 0.000 1.020 416 G HN 0.581 nan 8.290 nan 0.000 0.586 417 Y N -0.556 119.756 120.300 0.020 0.000 2.274 417 Y HA -0.031 4.520 4.550 0.001 0.000 0.290 417 Y C 2.676 178.584 175.900 0.012 0.000 1.145 417 Y CA 0.332 58.444 58.100 0.021 0.000 1.203 417 Y CB -0.767 37.700 38.460 0.011 0.000 0.984 417 Y HN 0.205 nan 8.280 nan 0.000 0.533 418 L N 0.169 121.490 121.223 0.164 0.000 2.131 418 L HA 0.041 4.382 4.340 0.001 0.000 0.210 418 L C 1.759 178.620 176.870 -0.015 0.000 1.092 418 L CA 1.571 56.457 54.840 0.077 0.000 0.759 418 L CB -0.976 41.122 42.059 0.065 0.000 0.903 418 L HN 0.353 nan 8.230 nan 0.000 0.435 419 G N 0.071 108.832 108.800 -0.065 0.000 2.395 419 G HA2 -0.330 3.630 3.960 0.001 0.000 0.300 419 G HA3 -0.330 3.630 3.960 0.001 0.000 0.300 419 G C 0.411 175.056 174.900 -0.425 0.000 0.998 419 G CA 0.709 45.630 45.100 -0.298 0.000 1.046 419 G HN 0.527 nan 8.290 nan 0.000 0.513 420 S N 0.709 116.211 115.700 -0.330 0.000 2.400 420 S HA 0.539 5.009 4.470 0.001 0.000 0.295 420 S C 1.247 175.660 174.600 -0.311 0.000 1.113 420 S CA -0.802 57.240 58.200 -0.263 0.000 1.064 420 S CB -0.064 63.047 63.200 -0.148 0.000 0.990 420 S HN 0.322 nan 8.310 nan 0.000 0.502 421 M N 3.795 123.204 119.600 -0.318 0.000 2.260 421 M HA 0.148 4.629 4.480 0.001 0.000 0.348 421 M C 1.648 177.643 176.300 -0.507 0.000 1.342 421 M CA 1.260 56.451 55.300 -0.182 0.000 1.040 421 M CB -0.551 32.077 32.600 0.046 0.000 1.810 421 M HN 1.003 nan 8.290 nan 0.000 0.453 422 G N 1.860 110.531 108.800 -0.215 0.000 2.213 422 G HA2 -0.248 3.713 3.960 0.001 0.000 0.226 422 G HA3 -0.248 3.713 3.960 0.001 0.000 0.226 422 G C 0.539 175.309 174.900 -0.217 0.000 0.992 422 G CA 0.491 45.443 45.100 -0.247 0.000 0.632 422 G HN 0.821 nan 8.290 nan 0.000 0.511 423 V N -0.131 119.585 119.914 -0.330 0.000 2.913 423 V HA 0.312 4.432 4.120 0.001 0.000 0.260 423 V C 2.465 178.300 176.094 -0.431 0.000 1.098 423 V CA 2.253 64.159 62.300 -0.656 0.000 1.121 423 V CB -0.850 30.476 31.823 -0.828 0.000 0.714 423 V HN 1.029 nan 8.190 nan 0.000 0.487 424 G N -0.811 107.832 108.800 -0.263 0.000 2.422 424 G HA2 -0.205 3.755 3.960 0.001 0.000 0.218 424 G HA3 -0.205 3.755 3.960 0.001 0.000 0.218 424 G C 1.286 176.116 174.900 -0.116 0.000 1.140 424 G CA 0.920 45.875 45.100 -0.243 0.000 0.775 424 G HN 0.497 nan 8.290 nan 0.000 0.545 425 F N 2.321 122.160 119.950 -0.184 0.000 2.060 425 F HA 0.068 4.596 4.527 0.001 0.000 0.295 425 F C 2.677 178.389 175.800 -0.146 0.000 1.120 425 F CA 1.164 59.064 58.000 -0.168 0.000 1.205 425 F CB -0.823 38.081 39.000 -0.161 0.000 0.986 425 F HN 0.134 nan 8.300 nan 0.000 0.470 426 G N -1.050 107.839 108.800 0.148 0.000 2.446 426 G HA2 -0.278 3.683 3.960 0.001 0.000 0.217 426 G HA3 -0.278 3.683 3.960 0.001 0.000 0.217 426 G C 1.680 176.578 174.900 -0.002 0.000 1.168 426 G CA 1.565 46.705 45.100 0.066 0.000 0.771 426 G HN 0.382 nan 8.290 nan 0.000 0.551 427 T N 1.708 116.238 114.554 -0.039 0.000 2.665 427 T HA -0.103 4.248 4.350 0.001 0.000 0.268 427 T C 2.778 177.414 174.700 -0.108 0.000 1.035 427 T CA 1.868 63.904 62.100 -0.107 0.000 1.151 427 T CB -0.439 68.323 68.868 -0.176 0.000 0.862 427 T HN 0.405 nan 8.240 nan 0.000 0.438 428 A N 0.758 123.526 122.820 -0.087 0.000 1.930 428 A HA 0.098 4.419 4.320 0.001 0.000 0.217 428 A C 2.292 179.861 177.584 -0.025 0.000 1.175 428 A CA 1.086 53.076 52.037 -0.079 0.000 0.627 428 A CB -0.775 18.153 19.000 -0.119 0.000 0.815 428 A HN 0.495 nan 8.150 nan 0.000 0.443 429 L N -0.479 120.758 121.223 0.024 0.000 2.017 429 L HA -0.082 4.258 4.340 0.001 0.000 0.208 429 L C 2.483 179.373 176.870 0.033 0.000 1.073 429 L CA 1.738 56.613 54.840 0.059 0.000 0.745 429 L CB -0.574 41.539 42.059 0.090 0.000 0.894 429 L HN 0.381 nan 8.230 nan 0.000 0.432 430 G N -1.055 107.677 108.800 -0.114 0.000 2.418 430 G HA2 -0.273 3.687 3.960 0.001 0.000 0.217 430 G HA3 -0.273 3.687 3.960 0.001 0.000 0.217 430 G C 1.634 176.536 174.900 0.002 0.000 1.158 430 G CA 0.695 45.645 45.100 -0.249 0.000 0.771 430 G HN 0.583 nan 8.290 nan 0.000 0.545 431 A N 0.348 123.141 122.820 -0.045 0.000 1.908 431 A HA -0.164 4.156 4.320 0.001 0.000 0.218 431 A C 2.320 179.903 177.584 -0.002 0.000 1.181 431 A CA 2.373 54.388 52.037 -0.038 0.000 0.627 431 A CB -0.503 18.456 19.000 -0.069 0.000 0.818 431 A HN 0.423 nan 8.150 nan 0.000 0.445 432 Q N -0.135 119.677 119.800 0.020 0.000 2.124 432 Q HA -0.095 4.245 4.340 0.001 0.000 0.202 432 Q C 1.840 177.876 176.000 0.060 0.000 0.977 432 Q CA 1.995 57.820 55.803 0.036 0.000 0.850 432 Q CB -0.582 28.183 28.738 0.046 0.000 0.901 432 Q HN 0.368 nan 8.270 nan 0.000 0.429 433 V N 0.662 120.648 119.914 0.118 0.000 2.261 433 V HA -0.292 3.829 4.120 0.001 0.000 0.246 433 V C 2.306 178.436 176.094 0.061 0.000 1.047 433 V CA 1.867 64.238 62.300 0.117 0.000 1.015 433 V CB -1.420 30.549 31.823 0.244 0.000 0.642 433 V HN 0.525 nan 8.190 nan 0.000 0.446 434 A N -0.125 122.742 122.820 0.078 0.000 1.908 434 A HA -0.289 4.031 4.320 0.001 0.000 0.218 434 A C 1.978 179.510 177.584 -0.087 0.000 1.181 434 A CA 2.209 54.153 52.037 -0.156 0.000 0.627 434 A CB -0.696 18.100 19.000 -0.340 0.000 0.818 434 A HN 0.547 nan 8.150 nan 0.000 0.445 435 D N -0.141 120.234 120.400 -0.042 0.000 2.219 435 D HA -0.065 4.576 4.640 0.001 0.000 0.205 435 D C 1.908 178.205 176.300 -0.005 0.000 0.970 435 D CA 0.655 54.639 54.000 -0.026 0.000 0.851 435 D CB -0.276 40.515 40.800 -0.015 0.000 0.943 435 D HN 0.494 nan 8.370 nan 0.000 0.488 436 L N 0.940 122.169 121.223 0.011 0.000 2.013 436 L HA -0.238 4.102 4.340 0.001 0.000 0.212 436 L C 2.842 179.729 176.870 0.028 0.000 1.073 436 L CA 2.094 56.951 54.840 0.027 0.000 0.753 436 L CB -0.978 41.107 42.059 0.044 0.000 0.890 436 L HN 0.093 nan 8.230 nan 0.000 0.432 437 E N 0.324 120.542 120.200 0.031 0.000 2.153 437 E HA -0.097 4.254 4.350 0.001 0.000 0.194 437 E C 2.079 178.686 176.600 0.013 0.000 0.988 437 E CA 1.356 57.776 56.400 0.034 0.000 0.811 437 E CB -0.639 nan 29.700 nan 0.000 0.746 437 E HN 0.601 nan 8.360 nan 0.000 0.466 438 A N -0.915 121.903 122.820 -0.003 0.000 2.275 438 A HA 0.493 4.814 4.320 0.001 0.000 0.212 438 A C 2.214 179.796 177.584 -0.004 0.000 1.201 438 A CA 1.111 53.142 52.037 -0.010 0.000 0.843 438 A CB -0.492 18.493 19.000 -0.026 0.000 0.873 438 A HN 1.523 nan 8.150 nan 0.000 0.492 439 G N -0.340 108.462 108.800 0.003 0.000 2.198 439 G HA2 -0.274 3.686 3.960 0.001 0.000 0.260 439 G HA3 -0.274 3.686 3.960 0.001 0.000 0.260 439 G C 0.239 175.140 174.900 0.003 0.000 1.025 439 G CA 0.533 45.636 45.100 0.006 0.000 0.769 439 G HN 0.633 nan 8.290 nan 0.000 0.507 440 R N -0.962 119.538 120.500 -0.000 0.000 2.598 440 R HA 0.658 4.998 4.340 0.001 0.000 0.279 440 R C 0.233 176.534 176.300 0.003 0.000 0.984 440 R CA -1.003 55.096 56.100 -0.001 0.000 0.999 440 R CB 0.951 31.247 30.300 -0.008 0.000 1.114 440 R HN 0.140 nan 8.270 nan 0.000 0.493 441 R N 0.448 120.950 120.500 0.003 0.000 2.346 441 R HA 0.259 4.599 4.340 0.001 0.000 0.311 441 R C -1.109 175.191 176.300 0.001 0.000 0.983 441 R CA -0.117 55.986 56.100 0.005 0.000 0.880 441 R CB 1.428 31.728 30.300 0.001 0.000 1.100 441 R HN 0.531 nan 8.270 nan 0.000 0.453 442 T N 5.270 119.824 114.554 0.000 0.000 2.837 442 T HA 0.507 4.858 4.350 0.001 0.000 0.285 442 T C 0.053 174.744 174.700 -0.016 0.000 0.984 442 T CA -0.396 61.698 62.100 -0.010 0.000 1.049 442 T CB 0.599 69.457 68.868 -0.015 0.000 0.947 442 T HN 0.418 nan 8.240 nan 0.000 0.472 443 I N 3.523 124.080 120.570 -0.021 0.000 2.418 443 I HA 0.337 4.508 4.170 0.001 0.000 0.287 443 I C -0.829 175.259 176.117 -0.050 0.000 1.008 443 I CA -1.048 60.237 61.300 -0.025 0.000 1.104 443 I CB 1.802 39.799 38.000 -0.004 0.000 1.264 443 I HN 0.361 nan 8.210 nan 0.000 0.438 444 L N 8.723 129.891 121.223 -0.092 0.000 2.276 444 L HA 0.504 4.845 4.340 0.001 0.000 0.286 444 L C -0.670 176.139 176.870 -0.101 0.000 1.061 444 L CA -0.090 54.664 54.840 -0.143 0.000 0.807 444 L CB 1.375 43.277 42.059 -0.261 0.000 1.177 444 L HN 0.330 nan 8.230 nan 0.000 0.429 445 V N 5.059 124.928 119.914 -0.076 0.000 2.326 445 V HA 0.552 4.673 4.120 0.001 0.000 0.281 445 V C 0.202 176.266 176.094 -0.050 0.000 1.015 445 V CA -0.310 61.975 62.300 -0.026 0.000 0.823 445 V CB 0.820 32.673 31.823 0.050 0.000 1.009 445 V HN 0.923 nan 8.190 nan 0.000 0.436 446 T N 3.203 117.717 114.554 -0.066 0.000 2.864 446 T HA 0.793 5.143 4.350 0.001 0.000 0.289 446 T C 0.176 174.851 174.700 -0.042 0.000 1.082 446 T CA 0.116 62.178 62.100 -0.062 0.000 1.009 446 T CB 1.976 70.773 68.868 -0.118 0.000 1.234 446 T HN 0.826 nan 8.240 nan 0.000 0.526 447 G N 0.305 109.094 108.800 -0.018 0.000 2.462 447 G HA2 0.388 4.348 3.960 0.001 0.000 0.319 447 G HA3 0.388 4.348 3.960 0.001 0.000 0.319 447 G C 0.790 175.599 174.900 -0.153 0.000 1.171 447 G CA -0.218 44.856 45.100 -0.043 0.000 0.920 447 G HN 0.807 nan 8.290 nan 0.000 0.499 448 D N -0.024 120.247 120.400 -0.215 0.000 2.178 448 D HA -0.100 4.541 4.640 0.001 0.000 0.201 448 D C 2.047 178.051 176.300 -0.492 0.000 0.980 448 D CA 1.311 55.054 54.000 -0.429 0.000 0.842 448 D CB -0.625 40.058 40.800 -0.196 0.000 0.948 448 D HN 0.461 nan 8.370 nan 0.000 0.472 449 G N 0.708 109.226 108.800 -0.468 0.000 2.434 449 G HA2 -0.232 3.729 3.960 0.001 0.000 0.214 449 G HA3 -0.232 3.729 3.960 0.001 0.000 0.214 449 G C 1.885 176.611 174.900 -0.290 0.000 1.202 449 G CA 1.142 45.673 45.100 -0.949 0.000 0.788 449 G HN 0.338 nan 8.290 nan 0.000 0.539 450 S N -0.226 115.541 115.700 0.112 0.000 2.383 450 S HA -0.136 4.335 4.470 0.001 0.000 0.229 450 S C 2.320 177.094 174.600 0.290 0.000 1.030 450 S CA 1.096 59.515 58.200 0.364 0.000 1.002 450 S CB -0.393 62.948 63.200 0.235 0.000 0.829 450 S HN 0.163 nan 8.310 nan 0.000 0.467 451 V N 1.961 121.913 119.914 0.063 0.000 2.594 451 V HA -0.108 4.012 4.120 0.001 0.000 0.253 451 V C 2.208 178.430 176.094 0.213 0.000 1.069 451 V CA 1.884 64.246 62.300 0.103 0.000 1.082 451 V CB -1.048 30.736 31.823 -0.066 0.000 0.680 451 V HN 0.564 nan 8.190 nan 0.000 0.469 452 G N -1.838 107.037 108.800 0.125 0.000 2.448 452 G HA2 -0.274 3.687 3.960 0.001 0.000 0.219 452 G HA3 -0.274 3.687 3.960 0.001 0.000 0.219 452 G C 1.321 176.317 174.900 0.161 0.000 1.127 452 G CA 0.947 46.140 45.100 0.156 0.000 0.766 452 G HN 0.581 nan 8.290 nan 0.000 0.552 453 Y N 1.176 121.572 120.300 0.159 0.000 2.207 453 Y HA -0.070 4.480 4.550 0.001 0.000 0.287 453 Y C 2.233 178.157 175.900 0.040 0.000 1.156 453 Y CA 1.684 59.854 58.100 0.117 0.000 1.182 453 Y CB 0.331 38.856 38.460 0.108 0.000 0.979 453 Y HN 0.154 nan 8.280 nan 0.000 0.521 454 S N -1.126 114.685 115.700 0.185 0.000 2.941 454 S HA 0.161 4.631 4.470 0.001 0.000 0.251 454 S C 1.167 175.601 174.600 -0.278 0.000 1.029 454 S CA -0.329 57.829 58.200 -0.069 0.000 1.062 454 S CB -0.030 63.088 63.200 -0.137 0.000 0.977 454 S HN 0.339 nan 8.310 nan 0.000 0.552 455 I N 2.048 122.631 120.570 0.021 0.000 2.454 455 I HA -0.091 4.080 4.170 0.001 0.000 0.254 455 I C 2.205 178.332 176.117 0.016 0.000 1.156 455 I CA 1.063 62.468 61.300 0.176 0.000 1.433 455 I CB -0.136 38.113 38.000 0.415 0.000 1.082 455 I HN 0.488 nan 8.210 nan 0.000 0.432 456 G N 0.139 108.870 108.800 -0.114 0.000 2.479 456 G HA2 -0.232 3.728 3.960 0.001 0.000 0.220 456 G HA3 -0.232 3.728 3.960 0.001 0.000 0.220 456 G C 1.361 175.874 174.900 -0.646 0.000 1.115 456 G CA 0.428 45.300 45.100 -0.380 0.000 0.757 456 G HN 0.370 nan 8.290 nan 0.000 0.560 457 E N 0.217 119.975 120.200 -0.738 0.000 2.409 457 E HA -0.020 4.330 4.350 0.001 0.000 0.198 457 E C 1.852 178.098 176.600 -0.590 0.000 1.024 457 E CA 0.051 55.972 56.400 -0.798 0.000 0.861 457 E CB -0.342 28.662 29.700 -1.160 0.000 0.788 457 E HN 0.621 nan 8.360 nan 0.000 0.521 458 F N 1.314 121.049 119.950 -0.358 0.000 2.202 458 F HA -0.225 4.303 4.527 0.001 0.000 0.301 458 F C 2.247 177.942 175.800 -0.175 0.000 1.082 458 F CA 1.319 59.290 58.000 -0.047 0.000 1.313 458 F CB -0.115 38.986 39.000 0.167 0.000 1.024 458 F HN 0.056 nan 8.300 nan 0.000 0.495 459 D N -0.316 119.832 120.400 -0.420 0.000 2.104 459 D HA -0.165 4.475 4.640 0.001 0.000 0.194 459 D C 2.049 178.310 176.300 -0.065 0.000 0.994 459 D CA 1.996 55.855 54.000 -0.236 0.000 0.830 459 D CB -0.210 40.338 40.800 -0.419 0.000 0.959 459 D HN 0.098 nan 8.370 nan 0.000 0.452 460 T N 0.256 114.738 114.554 -0.121 0.000 2.746 460 T HA -0.105 4.245 4.350 0.001 0.000 0.267 460 T C 2.076 176.794 174.700 0.029 0.000 1.039 460 T CA 0.948 63.024 62.100 -0.040 0.000 1.142 460 T CB -0.364 68.463 68.868 -0.067 0.000 0.866 460 T HN 0.167 nan 8.240 nan 0.000 0.444 461 L N 0.699 121.955 121.223 0.055 0.000 2.043 461 L HA -0.135 4.206 4.340 0.001 0.000 0.212 461 L C 2.662 179.609 176.870 0.128 0.000 1.075 461 L CA 1.131 56.045 54.840 0.122 0.000 0.752 461 L CB -0.842 41.338 42.059 0.201 0.000 0.891 461 L HN 0.171 nan 8.230 nan 0.000 0.432 462 V N -0.367 119.631 119.914 0.139 0.000 2.283 462 V HA -0.214 3.906 4.120 0.001 0.000 0.243 462 V C 2.575 178.728 176.094 0.097 0.000 1.039 462 V CA 1.565 63.944 62.300 0.132 0.000 1.016 462 V CB -0.579 31.341 31.823 0.162 0.000 0.650 462 V HN 0.390 nan 8.190 nan 0.000 0.449 463 R N 0.352 120.902 120.500 0.083 0.000 2.105 463 R HA -0.136 4.205 4.340 0.001 0.000 0.239 463 R C 1.956 178.293 176.300 0.061 0.000 1.135 463 R CA 1.086 57.225 56.100 0.066 0.000 0.967 463 R CB -0.221 30.111 30.300 0.055 0.000 0.861 463 R HN 0.369 nan 8.270 nan 0.000 0.442 464 K N 0.083 120.523 120.400 0.065 0.000 2.374 464 K HA 0.027 4.348 4.320 0.001 0.000 0.196 464 K C 0.365 177.007 176.600 0.070 0.000 1.023 464 K CA 0.137 56.461 56.287 0.063 0.000 1.103 464 K CB 0.819 33.357 32.500 0.064 0.000 0.848 464 K HN -0.042 nan 8.250 nan 0.000 0.528 465 Q N 0.074 119.921 119.800 0.079 0.000 2.453 465 Q HA -0.151 4.190 4.340 0.001 0.000 0.294 465 Q C -0.130 175.922 176.000 0.085 0.000 1.295 465 Q CA 0.592 56.444 55.803 0.082 0.000 0.853 465 Q CB -2.756 26.023 28.738 0.070 0.000 1.193 465 Q HN 0.408 nan 8.270 nan 0.000 0.461 466 L N 1.339 122.618 121.223 0.095 0.000 2.261 466 L HA 0.300 4.641 4.340 0.001 0.000 0.289 466 L C -1.135 175.798 176.870 0.105 0.000 1.059 466 L CA -2.075 52.822 54.840 0.095 0.000 0.816 466 L CB 1.224 43.342 42.059 0.100 0.000 1.191 466 L HN 0.100 nan 8.230 nan 0.000 0.431 467 P HA -0.018 nan 4.420 nan 0.000 0.258 467 P C 0.038 177.392 177.300 0.090 0.000 1.559 467 P CA -0.329 62.830 63.100 0.098 0.000 0.855 467 P CB -0.026 31.724 31.700 0.083 0.000 1.594 468 L N 0.803 122.080 121.223 0.090 0.000 2.540 468 L HA 0.035 4.376 4.340 0.001 0.000 0.276 468 L C 0.103 177.019 176.870 0.077 0.000 1.212 468 L CA 0.422 55.299 54.840 0.061 0.000 0.893 468 L CB -0.314 41.773 42.059 0.047 0.000 1.138 468 L HN -0.038 nan 8.230 nan 0.000 0.491 469 I N 6.174 126.767 120.570 0.039 0.000 2.304 469 I HA 0.209 4.380 4.170 0.001 0.000 0.291 469 I C -0.535 175.585 176.117 0.006 0.000 1.018 469 I CA -0.653 60.678 61.300 0.051 0.000 1.260 469 I CB 1.187 39.199 38.000 0.020 0.000 1.390 469 I HN 0.264 nan 8.210 nan 0.000 0.475 470 V N 8.093 128.034 119.914 0.046 0.000 2.318 470 V HA 0.338 4.459 4.120 0.001 0.000 0.271 470 V C 0.279 176.393 176.094 0.035 0.000 1.030 470 V CA -0.334 61.936 62.300 -0.051 0.000 0.844 470 V CB 0.827 32.574 31.823 -0.127 0.000 1.015 470 V HN 0.482 nan 8.190 nan 0.000 0.460 471 I N 6.230 126.796 120.570 -0.008 0.000 2.304 471 I HA 0.411 4.582 4.170 0.001 0.000 0.291 471 I C -0.199 175.892 176.117 -0.043 0.000 1.018 471 I CA -0.216 61.089 61.300 0.010 0.000 1.260 471 I CB 1.239 39.283 38.000 0.074 0.000 1.390 471 I HN 0.430 nan 8.210 nan 0.000 0.475 472 I N 6.897 127.437 120.570 -0.050 0.000 2.297 472 I HA 0.228 4.399 4.170 0.001 0.000 0.291 472 I C 0.008 176.059 176.117 -0.111 0.000 1.033 472 I CA -0.475 60.778 61.300 -0.079 0.000 1.253 472 I CB 0.877 38.840 38.000 -0.062 0.000 1.396 472 I HN 0.402 nan 8.210 nan 0.000 0.476 473 M N 5.780 125.320 119.600 -0.101 0.000 2.193 473 M HA 0.138 4.618 4.480 0.001 0.000 0.342 473 M C -0.150 176.106 176.300 -0.074 0.000 1.413 473 M CA 0.126 55.364 55.300 -0.103 0.000 1.191 473 M CB -0.398 32.169 32.600 -0.056 0.000 1.633 473 M HN 0.410 nan 8.290 nan 0.000 0.458 474 N N 3.988 122.651 118.700 -0.061 0.000 2.546 474 N HA 0.162 4.902 4.740 0.001 0.000 0.238 474 N C -0.246 175.266 175.510 0.004 0.000 0.984 474 N CA -0.184 52.865 53.050 -0.001 0.000 0.935 474 N CB 0.465 39.007 38.487 0.092 0.000 1.122 474 N HN 0.450 nan 8.380 nan 0.000 0.510 475 N N 2.495 121.194 118.700 -0.001 0.000 2.275 475 N HA 0.036 4.776 4.740 0.001 0.000 0.236 475 N C -0.546 174.979 175.510 0.025 0.000 1.154 475 N CA -0.160 52.897 53.050 0.011 0.000 0.866 475 N CB 0.128 38.620 38.487 0.009 0.000 1.093 475 N HN 0.360 nan 8.380 nan 0.000 0.515 476 Q N -0.479 119.340 119.800 0.031 0.000 2.457 476 Q HA -0.197 4.144 4.340 0.001 0.000 0.283 476 Q C -0.908 175.094 176.000 0.004 0.000 1.234 476 Q CA 1.315 57.135 55.803 0.029 0.000 0.877 476 Q CB -2.626 26.134 28.738 0.037 0.000 1.250 476 Q HN 0.848 nan 8.270 nan 0.000 0.481 477 S N -2.889 112.789 115.700 -0.037 0.000 2.595 477 S HA 0.526 4.996 4.470 0.001 0.000 0.270 477 S C -1.173 173.389 174.600 -0.062 0.000 1.145 477 S CA -1.129 57.060 58.200 -0.018 0.000 0.825 477 S CB 0.601 63.848 63.200 0.078 0.000 1.107 477 S HN 0.294 nan 8.310 nan 0.000 0.461 478 W N 2.028 123.371 121.300 0.071 0.000 2.510 478 W HA 0.492 5.153 4.660 0.001 0.000 0.388 478 W C 1.468 178.013 176.519 0.043 0.000 1.092 478 W CA -0.034 57.348 57.345 0.063 0.000 1.562 478 W CB 0.207 29.709 29.460 0.069 0.000 1.603 478 W HN 1.061 nan 8.180 nan 0.000 0.396 479 G N 1.662 110.570 108.800 0.181 0.000 2.414 479 G HA2 -0.215 3.746 3.960 0.001 0.000 0.215 479 G HA3 -0.215 3.746 3.960 0.001 0.000 0.215 479 G C 1.669 176.538 174.900 -0.052 0.000 1.188 479 G CA 1.003 46.125 45.100 0.038 0.000 0.783 479 G HN 0.537 nan 8.290 nan 0.000 0.537 480 A N 0.749 123.546 122.820 -0.038 0.000 1.972 480 A HA -0.036 4.284 4.320 0.001 0.000 0.219 480 A C 2.606 180.260 177.584 0.117 0.000 1.169 480 A CA 2.721 54.732 52.037 -0.044 0.000 0.635 480 A CB -1.032 17.955 19.000 -0.022 0.000 0.810 480 A HN 0.486 nan 8.150 nan 0.000 0.446 481 T N -1.309 113.331 114.554 0.143 0.000 2.821 481 T HA -0.069 4.282 4.350 0.001 0.000 0.267 481 T C 1.860 176.713 174.700 0.255 0.000 1.046 481 T CA 1.214 63.418 62.100 0.172 0.000 1.139 481 T CB -0.483 68.441 68.868 0.092 0.000 0.871 481 T HN 0.296 nan 8.240 nan 0.000 0.454 482 L N 0.276 121.645 121.223 0.244 0.000 2.046 482 L HA -0.110 4.230 4.340 0.001 0.000 0.208 482 L C 2.829 179.878 176.870 0.299 0.000 1.077 482 L CA 1.595 56.586 54.840 0.251 0.000 0.747 482 L CB -0.433 41.768 42.059 0.236 0.000 0.896 482 L HN 0.380 nan 8.230 nan 0.000 0.432 483 H N -1.579 117.575 119.070 0.140 0.000 2.352 483 H HA -0.276 4.280 4.556 0.001 0.000 0.299 483 H C 2.088 177.481 175.328 0.108 0.000 1.097 483 H CA 1.800 57.911 56.048 0.106 0.000 1.311 483 H CB -0.173 29.647 29.762 0.096 0.000 1.377 483 H HN 0.445 nan 8.280 nan 0.000 0.504 484 F N 2.118 122.166 119.950 0.164 0.000 2.095 484 F HA -0.268 4.260 4.527 0.001 0.000 0.298 484 F C 2.518 178.357 175.800 0.064 0.000 1.104 484 F CA 1.580 59.632 58.000 0.087 0.000 1.232 484 F CB -0.160 38.877 39.000 0.062 0.000 0.987 484 F HN 0.111 nan 8.300 nan 0.000 0.475 485 Q N -0.159 119.739 119.800 0.164 0.000 2.050 485 Q HA -0.265 4.076 4.340 0.001 0.000 0.202 485 Q C 2.256 178.219 176.000 -0.062 0.000 0.980 485 Q CA 2.069 57.898 55.803 0.042 0.000 0.840 485 Q CB -0.408 28.415 28.738 0.141 0.000 0.898 485 Q HN 0.607 nan 8.270 nan 0.000 0.424 486 Q N -0.176 119.616 119.800 -0.014 0.000 2.050 486 Q HA -0.161 4.180 4.340 0.001 0.000 0.202 486 Q C 1.919 177.861 176.000 -0.098 0.000 0.980 486 Q CA 0.936 56.714 55.803 -0.042 0.000 0.840 486 Q CB 0.053 28.774 28.738 -0.028 0.000 0.898 486 Q HN 0.230 nan 8.270 nan 0.000 0.424 487 L N -0.655 120.490 121.223 -0.131 0.000 2.162 487 L HA 0.049 4.389 4.340 0.001 0.000 0.205 487 L C 1.981 178.719 176.870 -0.220 0.000 1.086 487 L CA 1.490 56.241 54.840 -0.148 0.000 0.778 487 L CB -0.940 41.052 42.059 -0.112 0.000 0.928 487 L HN 0.121 nan 8.230 nan 0.000 0.446 488 A N -2.106 120.468 122.820 -0.410 0.000 2.115 488 A HA 0.193 4.513 4.320 0.001 0.000 0.211 488 A C 1.934 179.305 177.584 -0.355 0.000 1.169 488 A CA 0.903 52.635 52.037 -0.509 0.000 0.787 488 A CB 0.140 18.461 19.000 -1.132 0.000 0.858 488 A HN 0.165 nan 8.150 nan 0.000 0.474 489 V N -1.857 117.885 119.914 -0.286 0.000 2.996 489 V HA 0.536 4.656 4.120 0.001 0.000 0.235 489 V C 1.007 177.049 176.094 -0.088 0.000 1.205 489 V CA 0.666 62.877 62.300 -0.147 0.000 1.225 489 V CB 0.022 31.789 31.823 -0.094 0.000 0.995 489 V HN 0.900 nan 8.190 nan 0.000 0.484 490 G N 0.328 109.079 108.800 -0.082 0.000 2.352 490 G HA2 0.229 4.189 3.960 0.001 0.000 0.305 490 G HA3 0.229 4.189 3.960 0.001 0.000 0.305 490 G C -2.758 172.123 174.900 -0.032 0.000 1.537 490 G CA 0.124 45.193 45.100 -0.050 0.000 0.959 490 G HN -0.065 nan 8.290 nan 0.000 0.668 491 P HA -0.037 nan 4.420 nan 0.000 0.220 491 P C 0.808 178.109 177.300 0.001 0.000 1.148 491 P CA 0.866 63.958 63.100 -0.013 0.000 0.803 491 P CB 0.212 31.904 31.700 -0.015 0.000 0.782 492 N N -0.342 118.358 118.700 0.001 0.000 2.268 492 N HA 0.057 4.798 4.740 0.001 0.000 0.204 492 N C 0.797 176.317 175.510 0.016 0.000 1.124 492 N CA 0.111 53.166 53.050 0.010 0.000 0.838 492 N CB 0.145 38.636 38.487 0.006 0.000 0.994 492 N HN 0.072 nan 8.380 nan 0.000 0.489 493 R N 0.413 120.923 120.500 0.017 0.000 2.586 493 R HA 0.249 4.589 4.340 0.001 0.000 0.336 493 R C -0.157 176.171 176.300 0.047 0.000 1.060 493 R CA -0.294 55.821 56.100 0.026 0.000 1.079 493 R CB -0.019 30.288 30.300 0.013 0.000 1.317 493 R HN -0.091 nan 8.270 nan 0.000 0.568 494 V N 1.584 121.530 119.914 0.053 0.000 2.470 494 V HA 0.198 4.319 4.120 0.001 0.000 0.276 494 V C 0.513 176.654 176.094 0.077 0.000 1.040 494 V CA 0.408 62.754 62.300 0.077 0.000 1.008 494 V CB 1.226 33.097 31.823 0.079 0.000 0.990 494 V HN 0.165 nan 8.190 nan 0.000 0.477 495 T N 3.252 117.861 114.554 0.091 0.000 3.193 495 T HA 0.546 4.897 4.350 0.001 0.000 0.332 495 T C 0.444 175.202 174.700 0.096 0.000 1.208 495 T CA 0.587 62.737 62.100 0.083 0.000 1.080 495 T CB 0.968 69.874 68.868 0.064 0.000 1.180 495 T HN 1.516 nan 8.240 nan 0.000 0.469 496 G N 2.826 111.688 108.800 0.104 0.000 2.162 496 G HA2 -0.296 3.665 3.960 0.001 0.000 0.260 496 G HA3 -0.296 3.665 3.960 0.001 0.000 0.260 496 G C 0.704 175.722 174.900 0.196 0.000 0.976 496 G CA 1.518 46.690 45.100 0.119 0.000 0.655 496 G HN 1.603 nan 8.290 nan 0.000 0.533 497 T N -3.092 111.600 114.554 0.231 0.000 3.003 497 T HA 0.426 4.777 4.350 0.001 0.000 0.261 497 T C 0.943 175.836 174.700 0.321 0.000 1.003 497 T CA -0.053 62.261 62.100 0.355 0.000 0.917 497 T CB 0.549 69.577 68.868 0.266 0.000 1.084 497 T HN 0.458 nan 8.240 nan 0.000 0.522 498 R N 0.993 121.615 120.500 0.204 0.000 2.490 498 R HA 0.585 4.925 4.340 0.001 0.000 0.278 498 R C -0.643 175.706 176.300 0.082 0.000 1.069 498 R CA -0.309 55.865 56.100 0.124 0.000 1.080 498 R CB 0.854 31.209 30.300 0.092 0.000 1.030 498 R HN 0.289 nan 8.270 nan 0.000 0.491 499 L N 2.926 124.156 121.223 0.011 0.000 2.551 499 L HA 0.240 4.581 4.340 0.001 0.000 0.248 499 L C -0.346 176.520 176.870 -0.007 0.000 1.509 499 L CA 0.048 54.868 54.840 -0.034 0.000 0.842 499 L CB 1.059 43.010 42.059 -0.181 0.000 1.087 499 L HN 0.588 nan 8.230 nan 0.000 0.512 500 E N 1.492 121.695 120.200 0.006 0.000 2.341 500 E HA 0.191 4.541 4.350 0.001 0.000 0.279 500 E C -0.491 176.096 176.600 -0.022 0.000 1.395 500 E CA -0.186 56.215 56.400 0.001 0.000 1.648 500 E CB 0.284 29.991 29.700 0.012 0.000 1.524 500 E HN 0.367 nan 8.360 nan 0.000 0.462 501 N N -0.102 118.569 118.700 -0.047 0.000 2.598 501 N HA 0.496 5.237 4.740 0.001 0.000 0.263 501 N C -1.302 174.091 175.510 -0.194 0.000 1.254 501 N CA 0.155 53.149 53.050 -0.092 0.000 0.863 501 N CB 1.901 40.348 38.487 -0.067 0.000 1.586 501 N HN 0.174 nan 8.380 nan 0.000 0.491 502 G N 0.521 109.167 108.800 -0.256 0.000 3.055 502 G HA2 0.063 4.024 3.960 0.001 0.000 0.686 502 G HA3 0.063 4.024 3.960 0.001 0.000 0.686 502 G C -0.952 173.601 174.900 -0.577 0.000 1.087 502 G CA -0.291 44.543 45.100 -0.444 0.000 0.779 502 G HN 0.757 nan 8.290 nan 0.000 0.599 503 S N 1.970 117.385 115.700 -0.475 0.000 2.543 503 S HA 0.560 5.030 4.470 0.001 0.000 0.299 503 S C 1.360 175.704 174.600 -0.426 0.000 1.125 503 S CA -0.433 57.500 58.200 -0.445 0.000 1.098 503 S CB 0.059 62.977 63.200 -0.470 0.000 1.063 503 S HN 0.576 nan 8.310 nan 0.000 0.493 504 Y N 3.581 123.872 120.300 -0.016 0.000 2.224 504 Y HA -0.142 4.408 4.550 0.001 0.000 0.289 504 Y C 2.641 178.533 175.900 -0.012 0.000 1.146 504 Y CA 1.892 60.021 58.100 0.048 0.000 1.182 504 Y CB -0.625 37.923 38.460 0.146 0.000 0.983 504 Y HN 0.849 nan 8.280 nan 0.000 0.524 505 H N -2.219 116.914 119.070 0.106 0.000 2.423 505 H HA 0.049 4.605 4.556 0.001 0.000 0.297 505 H C 2.348 177.634 175.328 -0.070 0.000 1.075 505 H CA 1.187 57.237 56.048 0.004 0.000 1.342 505 H CB -1.051 28.750 29.762 0.065 0.000 1.395 505 H HN 0.343 nan 8.280 nan 0.000 0.530 506 G N 1.299 109.738 108.800 -0.600 0.000 2.418 506 G HA2 -0.171 3.790 3.960 0.001 0.000 0.217 506 G HA3 -0.171 3.790 3.960 0.001 0.000 0.217 506 G C 1.878 176.637 174.900 -0.236 0.000 1.158 506 G CA 1.314 46.174 45.100 -0.399 0.000 0.771 506 G HN 0.366 nan 8.290 nan 0.000 0.545 507 V N 1.639 121.451 119.914 -0.171 0.000 2.295 507 V HA -0.143 3.977 4.120 0.001 0.000 0.246 507 V C 3.346 179.415 176.094 -0.042 0.000 1.049 507 V CA 2.018 64.279 62.300 -0.066 0.000 1.024 507 V CB -0.982 30.913 31.823 0.119 0.000 0.648 507 V HN 0.473 nan 8.190 nan 0.000 0.447 508 A N 0.182 122.874 122.820 -0.214 0.000 1.892 508 A HA -0.216 4.105 4.320 0.001 0.000 0.218 508 A C 2.441 179.929 177.584 -0.160 0.000 1.188 508 A CA 2.492 54.223 52.037 -0.510 0.000 0.631 508 A CB -0.942 17.479 19.000 -0.965 0.000 0.822 508 A HN 0.607 nan 8.150 nan 0.000 0.447 509 A N -0.327 122.408 122.820 -0.143 0.000 1.902 509 A HA 0.149 4.470 4.320 0.001 0.000 0.217 509 A C 2.467 180.002 177.584 -0.081 0.000 1.181 509 A CA 2.108 54.090 52.037 -0.092 0.000 0.623 509 A CB -0.988 17.950 19.000 -0.103 0.000 0.818 509 A HN 1.179 nan 8.150 nan 0.000 0.443 510 A N -1.792 120.941 122.820 -0.145 0.000 2.070 510 A HA 0.076 4.397 4.320 0.001 0.000 0.220 510 A C 1.570 179.016 177.584 -0.230 0.000 1.159 510 A CA 1.143 53.049 52.037 -0.220 0.000 0.656 510 A CB -0.597 18.205 19.000 -0.330 0.000 0.800 510 A HN 0.449 nan 8.150 nan 0.000 0.453 511 F N -0.962 118.991 119.950 0.004 0.000 2.765 511 F HA 0.347 4.875 4.527 0.001 0.000 0.302 511 F C 1.845 177.680 175.800 0.058 0.000 1.111 511 F CA 0.335 58.369 58.000 0.058 0.000 1.359 511 F CB 0.115 39.200 39.000 0.141 0.000 1.097 511 F HN 0.353 nan 8.300 nan 0.000 0.577 512 G N 0.013 108.909 108.800 0.160 0.000 2.175 512 G HA2 -0.095 3.865 3.960 0.001 0.000 0.244 512 G HA3 -0.095 3.865 3.960 0.001 0.000 0.244 512 G C 0.336 175.299 174.900 0.105 0.000 0.982 512 G CA -0.108 45.058 45.100 0.110 0.000 0.641 512 G HN 0.619 nan 8.290 nan 0.000 0.527 513 A N 0.000 122.891 122.820 0.117 0.000 2.293 513 A HA 0.626 4.947 4.320 0.001 0.000 0.302 513 A C 0.028 177.628 177.584 0.026 0.000 1.119 513 A CA -0.231 51.873 52.037 0.111 0.000 0.823 513 A CB 0.523 19.637 19.000 0.191 0.000 1.097 513 A HN 0.176 nan 8.150 nan 0.000 0.491 514 D N 0.967 121.396 120.400 0.047 0.000 2.417 514 D HA 0.411 5.052 4.640 0.001 0.000 0.250 514 D C 0.421 176.698 176.300 -0.039 0.000 1.166 514 D CA 1.029 55.008 54.000 -0.035 0.000 0.881 514 D CB 1.096 41.907 40.800 0.019 0.000 1.164 514 D HN 0.656 nan 8.370 nan 0.000 0.467 515 G N 1.616 110.315 108.800 -0.168 0.000 2.415 515 G HA2 0.545 4.505 3.960 0.001 0.000 0.327 515 G HA3 0.545 4.505 3.960 0.001 0.000 0.327 515 G C -1.312 173.473 174.900 -0.191 0.000 1.182 515 G CA -0.507 44.568 45.100 -0.041 0.000 0.924 515 G HN 0.345 nan 8.290 nan 0.000 0.470 516 Y N -0.122 120.214 120.300 0.061 0.000 2.492 516 Y HA 0.472 5.023 4.550 0.001 0.000 0.346 516 Y C -0.265 175.536 175.900 -0.165 0.000 0.997 516 Y CA -0.999 57.093 58.100 -0.013 0.000 1.025 516 Y CB 2.843 41.311 38.460 0.013 0.000 1.263 516 Y HN 0.741 nan 8.280 nan 0.000 0.454 517 H N 2.384 121.333 119.070 -0.201 0.000 2.609 517 H HA 0.753 5.310 4.556 0.001 0.000 0.344 517 H C -1.508 173.748 175.328 -0.121 0.000 1.040 517 H CA -0.837 54.994 56.048 -0.362 0.000 1.216 517 H CB 1.276 30.634 29.762 -0.674 0.000 1.529 517 H HN 0.558 nan 8.280 nan 0.000 0.519 518 V N 2.360 121.865 119.914 -0.682 0.000 3.078 518 V HA 0.557 4.677 4.120 0.001 0.000 0.311 518 V C -0.788 175.015 176.094 -0.484 0.000 1.138 518 V CA -0.533 61.526 62.300 -0.402 0.000 1.007 518 V CB 2.449 34.187 31.823 -0.142 0.000 1.045 518 V HN 0.953 nan 8.190 nan 0.000 0.432 519 D N -0.062 120.196 120.400 -0.236 0.000 2.615 519 D HA 0.271 4.911 4.640 0.001 0.000 0.274 519 D C 0.037 176.303 176.300 -0.056 0.000 1.512 519 D CA 0.718 54.623 54.000 -0.157 0.000 0.803 519 D CB -0.002 40.742 40.800 -0.093 0.000 1.182 519 D HN 1.185 nan 8.370 nan 0.000 0.473 520 S N -1.728 113.960 115.700 -0.020 0.000 2.596 520 S HA 0.460 4.930 4.470 0.001 0.000 0.270 520 S C 0.790 175.439 174.600 0.082 0.000 1.155 520 S CA -0.350 57.866 58.200 0.026 0.000 0.827 520 S CB 1.500 64.711 63.200 0.017 0.000 1.130 520 S HN -0.191 nan 8.310 nan 0.000 0.467 521 V N 1.546 121.502 119.914 0.070 0.000 2.282 521 V HA -0.151 3.969 4.120 0.001 0.000 0.249 521 V C 3.339 179.461 176.094 0.047 0.000 1.057 521 V CA 3.031 65.373 62.300 0.070 0.000 1.032 521 V CB -1.790 30.026 31.823 -0.012 0.000 0.645 521 V HN 1.050 nan 8.190 nan 0.000 0.447 522 E N 0.461 120.673 120.200 0.021 0.000 2.051 522 E HA -0.284 4.066 4.350 0.001 0.000 0.192 522 E C 2.325 178.943 176.600 0.030 0.000 0.991 522 E CA 2.016 58.422 56.400 0.010 0.000 0.799 522 E CB -0.937 28.764 29.700 0.002 0.000 0.748 522 E HN 0.884 nan 8.360 nan 0.000 0.449 523 S N -0.401 115.329 115.700 0.050 0.000 2.371 523 S HA -0.054 4.417 4.470 0.001 0.000 0.224 523 S C 2.011 176.679 174.600 0.114 0.000 1.029 523 S CA 1.196 59.432 58.200 0.060 0.000 0.978 523 S CB -0.448 62.773 63.200 0.035 0.000 0.833 523 S HN 0.496 nan 8.310 nan 0.000 0.466 524 F N 3.136 123.046 119.950 -0.066 0.000 2.102 524 F HA -0.004 4.523 4.527 0.001 0.000 0.298 524 F C 2.507 178.264 175.800 -0.072 0.000 1.105 524 F CA 1.010 58.962 58.000 -0.081 0.000 1.239 524 F CB -1.257 37.700 39.000 -0.072 0.000 0.991 524 F HN 0.215 nan 8.300 nan 0.000 0.474 525 S N 0.578 116.211 115.700 -0.113 0.000 2.365 525 S HA -0.238 4.233 4.470 0.001 0.000 0.225 525 S C 2.358 176.891 174.600 -0.112 0.000 1.039 525 S CA 1.405 59.495 58.200 -0.184 0.000 1.033 525 S CB -0.989 62.152 63.200 -0.099 0.000 0.887 525 S HN 0.542 nan 8.310 nan 0.000 0.447 526 A N 1.484 124.277 122.820 -0.044 0.000 1.877 526 A HA 0.067 4.387 4.320 0.001 0.000 0.216 526 A C 2.378 179.929 177.584 -0.055 0.000 1.186 526 A CA 1.859 53.883 52.037 -0.022 0.000 0.620 526 A CB -1.178 17.834 19.000 0.021 0.000 0.822 526 A HN 0.537 nan 8.150 nan 0.000 0.443 527 A N -0.708 122.069 122.820 -0.072 0.000 1.877 527 A HA -0.016 4.305 4.320 0.001 0.000 0.216 527 A C 2.138 179.478 177.584 -0.405 0.000 1.186 527 A CA 1.764 53.645 52.037 -0.260 0.000 0.620 527 A CB -0.628 18.255 19.000 -0.195 0.000 0.822 527 A HN 0.648 nan 8.150 nan 0.000 0.443 528 L N -0.200 120.846 121.223 -0.295 0.000 2.056 528 L HA -0.027 4.313 4.340 0.001 0.000 0.207 528 L C 2.679 179.317 176.870 -0.388 0.000 1.078 528 L CA 2.145 56.762 54.840 -0.371 0.000 0.749 528 L CB -0.981 40.762 42.059 -0.527 0.000 0.901 528 L HN 0.351 nan 8.230 nan 0.000 0.433 529 A N -1.019 121.627 122.820 -0.290 0.000 1.908 529 A HA -0.306 4.014 4.320 0.001 0.000 0.218 529 A C 2.327 179.838 177.584 -0.122 0.000 1.181 529 A CA 1.925 53.850 52.037 -0.187 0.000 0.627 529 A CB -0.731 18.243 19.000 -0.043 0.000 0.818 529 A HN 0.654 nan 8.150 nan 0.000 0.445 530 Q N -0.613 119.140 119.800 -0.079 0.000 2.050 530 Q HA -0.106 4.234 4.340 0.001 0.000 0.202 530 Q C 2.178 178.243 176.000 0.109 0.000 0.980 530 Q CA 1.690 57.523 55.803 0.050 0.000 0.840 530 Q CB -0.377 28.449 28.738 0.148 0.000 0.898 530 Q HN 0.594 nan 8.270 nan 0.000 0.424 531 A N 0.636 123.416 122.820 -0.067 0.000 1.908 531 A HA -0.166 4.155 4.320 0.001 0.000 0.218 531 A C 2.024 179.613 177.584 0.009 0.000 1.181 531 A CA 1.311 53.343 52.037 -0.008 0.000 0.627 531 A CB -0.716 18.182 19.000 -0.171 0.000 0.818 531 A HN 0.472 nan 8.150 nan 0.000 0.445 532 L N -0.970 120.194 121.223 -0.099 0.000 2.201 532 L HA -0.119 4.221 4.340 0.001 0.000 0.212 532 L C 2.890 179.718 176.870 -0.070 0.000 1.105 532 L CA 0.778 55.557 54.840 -0.103 0.000 0.775 532 L CB -0.340 41.595 42.059 -0.207 0.000 0.913 532 L HN 0.432 nan 8.230 nan 0.000 0.440 533 A N -1.764 120.999 122.820 -0.094 0.000 2.119 533 A HA -0.046 4.275 4.320 0.001 0.000 0.217 533 A C 0.734 178.135 177.584 -0.304 0.000 1.153 533 A CA 0.673 52.591 52.037 -0.199 0.000 0.692 533 A CB -0.378 18.465 19.000 -0.262 0.000 0.799 533 A HN 0.312 nan 8.150 nan 0.000 0.458 534 H N -2.000 117.084 119.070 0.024 0.000 2.492 534 H HA 0.383 4.940 4.556 0.001 0.000 0.345 534 H C 0.169 175.523 175.328 0.042 0.000 1.136 534 H CA 0.059 56.132 56.048 0.041 0.000 1.202 534 H CB 0.913 30.714 29.762 0.065 0.000 1.524 534 H HN 0.317 nan 8.280 nan 0.000 0.506 535 N N 3.259 122.057 118.700 0.164 0.000 3.245 535 N HA 0.191 4.932 4.740 0.001 0.000 0.296 535 N C 0.084 175.668 175.510 0.125 0.000 1.254 535 N CA -0.366 52.753 53.050 0.115 0.000 1.190 535 N CB -0.278 38.258 38.487 0.083 0.000 1.460 535 N HN 0.424 nan 8.380 nan 0.000 0.538 536 R N 0.611 121.196 120.500 0.142 0.000 2.698 536 R HA 0.511 4.852 4.340 0.001 0.000 0.275 536 R C -2.880 173.509 176.300 0.147 0.000 1.001 536 R CA -1.635 54.544 56.100 0.131 0.000 0.896 536 R CB 2.634 33.003 30.300 0.114 0.000 1.218 536 R HN 0.258 nan 8.270 nan 0.000 0.462 537 P HA 0.220 nan 4.420 nan 0.000 0.271 537 P C -1.255 176.188 177.300 0.238 0.000 1.218 537 P CA -0.209 63.014 63.100 0.205 0.000 0.780 537 P CB 1.293 33.138 31.700 0.241 0.000 0.901 538 A N 1.651 124.638 122.820 0.279 0.000 2.572 538 A HA 0.561 4.882 4.320 0.001 0.000 0.295 538 A C -1.363 176.426 177.584 0.343 0.000 1.072 538 A CA -0.549 51.670 52.037 0.303 0.000 0.691 538 A CB 1.354 20.540 19.000 0.310 0.000 1.291 538 A HN 0.638 nan 8.150 nan 0.000 0.404 539 C N 2.763 122.237 119.300 0.291 0.000 2.322 539 C HA 0.756 5.216 4.460 0.001 0.000 0.324 539 C C -0.819 174.343 174.990 0.287 0.000 1.249 539 C CA -0.550 58.624 59.018 0.260 0.000 1.453 539 C CB -1.254 26.493 27.740 0.011 0.000 2.145 539 C HN 0.594 nan 8.230 nan 0.000 0.466 540 I N 6.266 126.957 120.570 0.200 0.000 2.330 540 I HA 0.295 4.465 4.170 0.001 0.000 0.286 540 I C 0.214 176.356 176.117 0.042 0.000 1.025 540 I CA 0.089 61.468 61.300 0.130 0.000 1.197 540 I CB 0.689 38.724 38.000 0.057 0.000 1.358 540 I HN 0.704 nan 8.210 nan 0.000 0.467 541 N N 6.082 124.812 118.700 0.050 0.000 2.406 541 N HA 0.317 5.057 4.740 0.001 0.000 0.251 541 N C -1.042 174.376 175.510 -0.153 0.000 1.069 541 N CA -0.425 52.659 53.050 0.057 0.000 0.947 541 N CB 0.938 39.590 38.487 0.274 0.000 1.111 541 N HN 0.297 nan 8.380 nan 0.000 0.497 542 V N 3.003 122.779 119.914 -0.231 0.000 2.311 542 V HA 0.366 4.487 4.120 0.001 0.000 0.275 542 V C 0.413 176.360 176.094 -0.244 0.000 1.022 542 V CA -1.025 61.035 62.300 -0.401 0.000 0.830 542 V CB 0.746 32.154 31.823 -0.691 0.000 1.012 542 V HN 0.736 nan 8.190 nan 0.000 0.452 543 A N 5.714 128.400 122.820 -0.224 0.000 2.484 543 A HA 0.563 4.883 4.320 0.001 0.000 0.268 543 A C 0.094 177.616 177.584 -0.102 0.000 1.114 543 A CA 0.001 51.987 52.037 -0.084 0.000 0.780 543 A CB 0.012 19.003 19.000 -0.015 0.000 1.061 543 A HN 1.389 nan 8.150 nan 0.000 0.505 544 V N 0.131 119.997 119.914 -0.080 0.000 2.914 544 V HA 0.900 5.020 4.120 0.001 0.000 0.314 544 V C 0.365 176.416 176.094 -0.071 0.000 1.084 544 V CA -0.682 61.559 62.300 -0.098 0.000 0.963 544 V CB 1.117 32.853 31.823 -0.144 0.000 1.025 544 V HN 1.593 nan 8.190 nan 0.000 0.432 545 A N 2.115 124.877 122.820 -0.097 0.000 2.483 545 A HA 0.475 4.795 4.320 0.001 0.000 0.238 545 A C 0.656 178.207 177.584 -0.054 0.000 1.070 545 A CA 0.376 52.370 52.037 -0.072 0.000 0.770 545 A CB 0.327 19.265 19.000 -0.104 0.000 1.008 545 A HN 1.515 nan 8.150 nan 0.000 0.497 546 L N 0.644 121.883 121.223 0.027 0.000 2.253 546 L HA 0.151 4.491 4.340 0.001 0.000 0.205 546 L C 1.353 178.368 176.870 0.241 0.000 1.078 546 L CA 1.719 56.627 54.840 0.114 0.000 0.805 546 L CB -0.429 41.703 42.059 0.123 0.000 0.963 546 L HN 0.712 nan 8.230 nan 0.000 0.459 547 D N 0.030 120.514 120.400 0.140 0.000 2.178 547 D HA -0.029 4.612 4.640 0.001 0.000 0.201 547 D C -1.475 174.909 176.300 0.138 0.000 0.980 547 D CA 0.574 54.643 54.000 0.115 0.000 0.842 547 D CB -1.314 39.516 40.800 0.049 0.000 0.948 547 D HN 0.326 nan 8.370 nan 0.000 0.472 548 P HA 0.079 nan 4.420 nan 0.000 0.268 548 P C -0.224 177.406 177.300 0.550 0.000 1.205 548 P CA 0.208 63.474 63.100 0.277 0.000 0.771 548 P CB 0.648 32.337 31.700 -0.019 0.000 0.858 549 I N 5.580 126.400 120.570 0.418 0.000 2.312 549 I HA 0.260 4.430 4.170 0.001 0.000 0.290 549 I C -1.906 174.188 176.117 -0.038 0.000 1.008 549 I CA -2.548 58.892 61.300 0.233 0.000 1.226 549 I CB 1.447 39.485 38.000 0.064 0.000 1.371 549 I HN 0.189 nan 8.210 nan 0.000 0.468 550 P HA 0.148 nan 4.420 nan 0.000 0.271 550 P C -2.294 174.635 177.300 -0.618 0.000 1.218 550 P CA -1.386 60.871 63.100 -1.405 0.000 0.780 550 P CB 0.252 31.003 31.700 -1.582 0.000 0.901 551 P HA -0.207 nan 4.420 nan 0.000 0.216 551 P C 1.454 178.595 177.300 -0.264 0.000 1.154 551 P CA 1.682 64.616 63.100 -0.277 0.000 0.865 551 P CB -0.038 31.539 31.700 -0.205 0.000 0.789 552 E N -0.490 119.548 120.200 -0.270 0.000 2.153 552 E HA -0.211 4.139 4.350 0.001 0.000 0.194 552 E C 2.011 178.511 176.600 -0.166 0.000 0.988 552 E CA 1.010 57.292 56.400 -0.197 0.000 0.811 552 E CB -0.392 29.229 29.700 -0.132 0.000 0.746 552 E HN 0.479 nan 8.360 nan 0.000 0.466 553 E N 0.368 120.453 120.200 -0.191 0.000 2.072 553 E HA -0.116 4.235 4.350 0.001 0.000 0.190 553 E C 2.475 179.028 176.600 -0.079 0.000 0.982 553 E CA 1.005 57.343 56.400 -0.103 0.000 0.803 553 E CB -0.057 29.597 29.700 -0.076 0.000 0.755 553 E HN 0.181 nan 8.360 nan 0.000 0.453 554 L N 1.175 122.331 121.223 -0.113 0.000 2.079 554 L HA 0.019 4.360 4.340 0.001 0.000 0.210 554 L C 1.877 178.694 176.870 -0.088 0.000 1.081 554 L CA 1.427 56.218 54.840 -0.083 0.000 0.752 554 L CB -1.192 40.816 42.059 -0.085 0.000 0.896 554 L HN 0.071 nan 8.230 nan 0.000 0.433 555 I N 0.000 120.475 120.570 -0.159 0.000 2.984 555 I HA 0.000 4.171 4.170 0.001 0.000 0.288 555 I CA 0.000 61.179 61.300 -0.202 0.000 1.566 555 I CB 0.000 37.733 38.000 -0.445 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494