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_A 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 52.047 52.037 0.016 0.000 0.836 2 A CB 0.000 19.008 19.000 0.014 0.000 0.831 3 M N 1.949 121.558 119.600 0.015 0.000 2.200 3 M HA 0.493 4.982 4.480 0.015 0.000 0.355 3 M C -0.040 176.273 176.300 0.022 0.000 1.283 3 M CA -0.192 55.118 55.300 0.016 0.000 1.124 3 M CB -0.210 32.396 32.600 0.011 0.000 1.625 3 M HN 0.595 nan 8.290 nan 0.000 0.463 4 I N -0.295 120.291 120.570 0.027 0.000 2.828 4 I HA 0.704 4.883 4.170 0.015 0.000 0.302 4 I C 0.248 176.387 176.117 0.037 0.000 1.101 4 I CA -0.942 60.380 61.300 0.037 0.000 1.031 4 I CB 2.239 40.267 38.000 0.046 0.000 1.231 4 I HN 0.666 nan 8.210 nan 0.000 0.427 5 T N 0.935 115.517 114.554 0.047 0.000 2.868 5 T HA 0.323 4.682 4.350 0.015 0.000 0.292 5 T C 1.304 176.035 174.700 0.052 0.000 1.028 5 T CA -0.010 62.120 62.100 0.051 0.000 1.059 5 T CB 1.278 70.186 68.868 0.067 0.000 0.991 5 T HN 0.943 nan 8.240 nan 0.000 0.531 6 G N 0.777 109.609 108.800 0.052 0.000 2.469 6 G HA2 -0.103 3.866 3.960 0.015 0.000 0.219 6 G HA3 -0.103 3.866 3.960 0.015 0.000 0.219 6 G C 1.587 176.524 174.900 0.062 0.000 1.150 6 G CA 0.705 45.838 45.100 0.055 0.000 0.763 6 G HN 1.060 nan 8.290 nan 0.000 0.561 7 G N 0.559 109.405 108.800 0.076 0.000 2.422 7 G HA2 -0.179 3.790 3.960 0.015 0.000 0.218 7 G HA3 -0.179 3.790 3.960 0.015 0.000 0.218 7 G C 1.602 176.537 174.900 0.059 0.000 1.146 7 G CA 1.360 46.505 45.100 0.074 0.000 0.769 7 G HN 0.522 nan 8.290 nan 0.000 0.547 8 E N 0.508 120.749 120.200 0.067 0.000 2.077 8 E HA -0.047 4.312 4.350 0.015 0.000 0.193 8 E C 2.492 179.113 176.600 0.035 0.000 0.989 8 E CA 0.694 57.136 56.400 0.069 0.000 0.800 8 E CB -0.459 29.295 29.700 0.089 0.000 0.746 8 E HN 0.438 nan 8.360 nan 0.000 0.452 9 L N -0.378 120.866 121.223 0.036 0.000 2.042 9 L HA -0.208 4.141 4.340 0.015 0.000 0.210 9 L C 2.446 179.323 176.870 0.012 0.000 1.076 9 L CA 1.080 55.935 54.840 0.025 0.000 0.749 9 L CB -0.553 41.528 42.059 0.037 0.000 0.893 9 L HN 0.115 nan 8.230 nan 0.000 0.432 10 V N -0.674 119.251 119.914 0.019 0.000 2.255 10 V HA -0.276 3.853 4.120 0.015 0.000 0.247 10 V C 2.373 178.451 176.094 -0.027 0.000 1.051 10 V CA 1.820 64.126 62.300 0.010 0.000 1.018 10 V CB -0.347 31.487 31.823 0.018 0.000 0.641 10 V HN 0.213 nan 8.190 nan 0.000 0.445 11 V N -0.398 119.486 119.914 -0.049 0.000 2.453 11 V HA -0.196 3.933 4.120 0.015 0.000 0.247 11 V C 2.554 178.534 176.094 -0.189 0.000 1.048 11 V CA 1.787 64.019 62.300 -0.114 0.000 1.049 11 V CB -0.798 30.962 31.823 -0.105 0.000 0.672 11 V HN 0.452 nan 8.190 nan 0.000 0.457 12 R N -0.018 120.376 120.500 -0.178 0.000 2.091 12 R HA -0.158 4.191 4.340 0.015 0.000 0.238 12 R C 2.371 178.610 176.300 -0.102 0.000 1.136 12 R CA 2.012 58.006 56.100 -0.176 0.000 0.959 12 R CB -0.714 29.532 30.300 -0.090 0.000 0.856 12 R HN 0.525 nan 8.270 nan 0.000 0.437 13 T N 1.522 116.042 114.554 -0.057 0.000 2.777 13 T HA -0.050 4.309 4.350 0.015 0.000 0.266 13 T C 1.927 176.607 174.700 -0.034 0.000 1.040 13 T CA 0.895 62.979 62.100 -0.028 0.000 1.141 13 T CB -0.127 68.743 68.868 0.003 0.000 0.868 13 T HN 0.120 nan 8.240 nan 0.000 0.444 14 L N 0.338 121.533 121.223 -0.048 0.000 2.012 14 L HA -0.067 4.282 4.340 0.015 0.000 0.210 14 L C 2.494 179.329 176.870 -0.059 0.000 1.073 14 L CA 1.305 56.117 54.840 -0.047 0.000 0.748 14 L CB -0.644 41.377 42.059 -0.063 0.000 0.891 14 L HN 0.254 nan 8.230 nan 0.000 0.431 15 I N -0.097 120.415 120.570 -0.096 0.000 2.179 15 I HA -0.327 3.852 4.170 0.015 0.000 0.242 15 I C 2.666 178.749 176.117 -0.058 0.000 1.088 15 I CA 1.432 62.675 61.300 -0.095 0.000 1.357 15 I CB -0.268 37.639 38.000 -0.154 0.000 1.051 15 I HN 0.208 nan 8.210 nan 0.000 0.409 16 K N 1.080 121.449 120.400 -0.053 0.000 2.147 16 K HA -0.137 4.192 4.320 0.015 0.000 0.205 16 K C 2.039 178.628 176.600 -0.018 0.000 1.049 16 K CA 1.309 57.579 56.287 -0.030 0.000 0.936 16 K CB -0.078 32.408 32.500 -0.024 0.000 0.722 16 K HN 0.323 nan 8.250 nan 0.000 0.446 17 A N -0.283 122.527 122.820 -0.016 0.000 2.119 17 A HA 0.116 4.444 4.320 0.015 0.000 0.217 17 A C 1.464 179.048 177.584 -0.000 0.000 1.153 17 A CA 1.181 53.215 52.037 -0.004 0.000 0.692 17 A CB -0.392 18.610 19.000 0.004 0.000 0.799 17 A HN 0.532 nan 8.150 nan 0.000 0.458 18 G N -2.118 106.679 108.800 -0.007 0.000 2.163 18 G HA2 -0.153 3.816 3.960 0.015 0.000 0.213 18 G HA3 -0.153 3.816 3.960 0.015 0.000 0.213 18 G C 0.108 175.018 174.900 0.015 0.000 0.991 18 G CA -0.060 45.042 45.100 0.002 0.000 0.653 18 G HN 0.728 nan 8.290 nan 0.000 0.518 19 V N 0.788 120.705 119.914 0.004 0.000 2.529 19 V HA 0.285 4.414 4.120 0.015 0.000 0.292 19 V C 1.223 177.293 176.094 -0.040 0.000 1.028 19 V CA 1.188 63.494 62.300 0.010 0.000 1.074 19 V CB 1.309 33.122 31.823 -0.016 0.000 0.958 19 V HN 0.490 nan 8.190 nan 0.000 0.481 20 E N 2.407 122.588 120.200 -0.032 0.000 2.539 20 E HA 0.227 4.585 4.350 0.015 0.000 0.215 20 E C -0.609 175.658 176.600 -0.555 0.000 0.965 20 E CA -0.003 56.262 56.400 -0.225 0.000 1.019 20 E CB 0.693 30.288 29.700 -0.175 0.000 1.059 20 E HN 0.877 nan 8.360 nan 0.000 0.496 21 H N -0.864 118.103 119.070 -0.172 0.000 2.996 21 H HA 0.426 4.991 4.556 0.015 0.000 0.368 21 H C -1.405 173.614 175.328 -0.515 0.000 1.185 21 H CA -0.661 55.141 56.048 -0.410 0.000 1.160 21 H CB 1.476 30.872 29.762 -0.610 0.000 1.820 21 H HN -0.152 nan 8.280 nan 0.000 0.547 22 L N 1.924 122.865 121.223 -0.471 0.000 2.354 22 L HA 0.559 4.907 4.340 0.015 0.000 0.264 22 L C -1.175 175.282 176.870 -0.688 0.000 1.008 22 L CA -0.408 54.173 54.840 -0.432 0.000 0.819 22 L CB 1.284 43.159 42.059 -0.306 0.000 1.339 22 L HN 0.479 nan 8.230 nan 0.000 0.420 23 F N 0.066 119.897 119.950 -0.199 0.000 2.520 23 F HA 0.866 5.402 4.527 0.015 0.000 0.322 23 F C 0.679 176.425 175.800 -0.090 0.000 1.103 23 F CA -0.411 57.507 58.000 -0.136 0.000 0.926 23 F CB 2.231 41.148 39.000 -0.139 0.000 1.154 23 F HN 0.518 nan 8.300 nan 0.000 0.453 24 G N 1.559 110.437 108.800 0.130 0.000 2.427 24 G HA2 0.540 4.509 3.960 0.015 0.000 0.306 24 G HA3 0.540 4.509 3.960 0.015 0.000 0.306 24 G C -2.552 172.464 174.900 0.194 0.000 1.280 24 G CA -0.784 44.396 45.100 0.134 0.000 0.837 24 G HN 0.714 nan 8.290 nan 0.000 0.482 25 L N -0.065 121.300 121.223 0.237 0.000 2.526 25 L HA 0.580 4.929 4.340 0.015 0.000 0.263 25 L C -0.537 176.451 176.870 0.197 0.000 0.943 25 L CA -0.992 53.972 54.840 0.208 0.000 0.859 25 L CB 2.296 44.413 42.059 0.097 0.000 1.313 25 L HN 0.935 nan 8.230 nan 0.000 0.406 26 H N 2.558 121.613 119.070 -0.025 0.000 2.815 26 H HA 0.568 5.132 4.556 0.015 0.000 0.350 26 H C -0.165 175.023 175.328 -0.233 0.000 1.080 26 H CA 1.136 56.932 56.048 -0.419 0.000 1.433 26 H CB 1.150 30.476 29.762 -0.727 0.000 1.432 26 H HN 0.715 nan 8.280 nan 0.000 0.592 27 G N 1.610 109.849 108.800 -0.936 0.000 2.690 27 G HA2 0.471 4.440 3.960 0.015 0.000 0.293 27 G HA3 0.471 4.440 3.960 0.015 0.000 0.293 27 G C 0.256 174.678 174.900 -0.796 0.000 1.399 27 G CA -0.306 44.426 45.100 -0.612 0.000 0.890 27 G HN 0.855 nan 8.290 nan 0.000 0.485 28 A N 0.041 122.629 122.820 -0.386 0.000 1.940 28 A HA -0.090 4.239 4.320 0.015 0.000 0.219 28 A C 1.918 179.103 177.584 -0.665 0.000 1.176 28 A CA 2.320 54.176 52.037 -0.301 0.000 0.631 28 A CB -0.869 18.057 19.000 -0.124 0.000 0.814 28 A HN 0.779 nan 8.150 nan 0.000 0.446 29 H N -0.071 118.301 119.070 -1.164 0.000 2.460 29 H HA -0.087 4.478 4.556 0.015 0.000 0.297 29 H C 1.518 176.436 175.328 -0.684 0.000 1.103 29 H CA 1.745 56.886 56.048 -1.512 0.000 1.292 29 H CB -0.226 28.971 29.762 -0.941 0.000 1.376 29 H HN 0.721 nan 8.280 nan 0.000 0.531 30 I N -3.114 117.278 120.570 -0.297 0.000 3.936 30 I HA 0.229 4.407 4.170 0.015 0.000 0.330 30 I C 0.948 177.098 176.117 0.055 0.000 1.509 30 I CA 0.015 61.276 61.300 -0.066 0.000 1.126 30 I CB 0.669 38.674 38.000 0.008 0.000 1.115 30 I HN -0.130 nan 8.210 nan 0.000 0.424 31 D N 2.361 122.743 120.400 -0.030 0.000 2.178 31 D HA -0.215 4.434 4.640 0.015 0.000 0.201 31 D C 2.297 178.739 176.300 0.237 0.000 0.980 31 D CA 2.370 56.457 54.000 0.144 0.000 0.842 31 D CB 0.255 41.161 40.800 0.175 0.000 0.948 31 D HN 0.531 nan 8.370 nan 0.000 0.472 32 T N -1.615 113.051 114.554 0.186 0.000 2.803 32 T HA -0.156 4.203 4.350 0.015 0.000 0.269 32 T C 2.140 176.932 174.700 0.154 0.000 1.052 32 T CA 1.011 63.210 62.100 0.165 0.000 1.136 32 T CB -0.527 68.429 68.868 0.146 0.000 0.864 32 T HN 0.230 nan 8.240 nan 0.000 0.467 33 I N -0.502 120.162 120.570 0.157 0.000 2.333 33 I HA 0.044 4.223 4.170 0.015 0.000 0.246 33 I C 2.215 178.380 176.117 0.080 0.000 1.106 33 I CA 0.986 62.340 61.300 0.089 0.000 1.411 33 I CB -0.423 37.598 38.000 0.035 0.000 1.082 33 I HN 0.086 nan 8.210 nan 0.000 0.420 34 F N 1.227 121.210 119.950 0.055 0.000 2.126 34 F HA -0.260 4.275 4.527 0.015 0.000 0.299 34 F C 2.768 178.610 175.800 0.069 0.000 1.096 34 F CA 1.486 59.532 58.000 0.076 0.000 1.255 34 F CB -0.483 38.612 39.000 0.158 0.000 0.997 34 F HN 0.088 nan 8.300 nan 0.000 0.479 35 Q N -0.104 119.855 119.800 0.266 0.000 2.079 35 Q HA -0.123 4.225 4.340 0.015 0.000 0.200 35 Q C 2.568 178.642 176.000 0.124 0.000 0.974 35 Q CA 1.462 57.365 55.803 0.166 0.000 0.840 35 Q CB -1.059 27.764 28.738 0.142 0.000 0.898 35 Q HN 0.440 nan 8.270 nan 0.000 0.430 36 A N 0.404 123.302 122.820 0.130 0.000 1.877 36 A HA -0.176 4.153 4.320 0.015 0.000 0.216 36 A C 2.577 180.276 177.584 0.191 0.000 1.186 36 A CA 1.454 53.591 52.037 0.166 0.000 0.620 36 A CB -1.022 18.061 19.000 0.138 0.000 0.822 36 A HN 0.458 nan 8.150 nan 0.000 0.443 37 C N -1.292 118.055 119.300 0.077 0.000 2.413 37 C HA -0.102 4.366 4.460 0.015 0.000 0.276 37 C C 2.536 177.552 174.990 0.043 0.000 1.248 37 C CA 1.203 60.233 59.018 0.021 0.000 1.742 37 C CB -1.466 26.209 27.740 -0.107 0.000 2.017 37 C HN 0.670 nan 8.230 nan 0.000 0.481 38 L N 1.375 122.631 121.223 0.055 0.000 2.012 38 L HA -0.145 4.204 4.340 0.015 0.000 0.210 38 L C 1.982 178.860 176.870 0.014 0.000 1.073 38 L CA 2.118 56.983 54.840 0.042 0.000 0.748 38 L CB -0.919 41.178 42.059 0.064 0.000 0.891 38 L HN 0.258 nan 8.230 nan 0.000 0.431 39 D N -1.369 119.033 120.400 0.004 0.000 2.144 39 D HA -0.178 4.471 4.640 0.015 0.000 0.199 39 D C 1.673 177.856 176.300 -0.196 0.000 0.984 39 D CA 1.554 55.489 54.000 -0.108 0.000 0.834 39 D CB -0.137 40.562 40.800 -0.168 0.000 0.955 39 D HN 0.554 nan 8.370 nan 0.000 0.465 40 H N 0.067 119.126 119.070 -0.018 0.000 2.551 40 H HA 0.098 4.663 4.556 0.015 0.000 0.271 40 H C -0.303 175.001 175.328 -0.041 0.000 0.984 40 H CA 0.078 56.109 56.048 -0.028 0.000 1.164 40 H CB 0.343 30.085 29.762 -0.033 0.000 1.437 40 H HN -0.096 nan 8.280 nan 0.000 0.550 41 D N 0.187 120.610 120.400 0.039 0.000 2.723 41 D HA -0.149 4.499 4.640 0.015 0.000 0.236 41 D C -0.759 175.523 176.300 -0.030 0.000 1.138 41 D CA 0.432 54.432 54.000 -0.000 0.000 0.676 41 D CB -1.471 39.325 40.800 -0.006 0.000 1.069 41 D HN 0.156 nan 8.370 nan 0.000 0.430 42 V N 1.111 121.002 119.914 -0.038 0.000 2.350 42 V HA 0.294 4.423 4.120 0.015 0.000 0.276 42 V C -1.791 174.217 176.094 -0.143 0.000 1.028 42 V CA -1.325 60.906 62.300 -0.115 0.000 0.860 42 V CB 1.569 33.321 31.823 -0.119 0.000 0.990 42 V HN -0.082 nan 8.190 nan 0.000 0.453 43 P HA 0.318 nan 4.420 nan 0.000 0.271 43 P C -0.589 176.576 177.300 -0.224 0.000 1.216 43 P CA 0.029 63.044 63.100 -0.143 0.000 0.771 43 P CB 0.574 32.227 31.700 -0.079 0.000 0.864 44 I N 4.006 124.443 120.570 -0.221 0.000 2.330 44 I HA 0.240 4.419 4.170 0.015 0.000 0.289 44 I C 0.055 176.047 176.117 -0.207 0.000 1.001 44 I CA -0.858 60.259 61.300 -0.306 0.000 1.193 44 I CB 0.931 38.665 38.000 -0.444 0.000 1.345 44 I HN 0.136 nan 8.210 nan 0.000 0.461 45 I N 6.729 127.108 120.570 -0.319 0.000 2.308 45 I HA 0.042 4.221 4.170 0.015 0.000 0.293 45 I C 0.295 176.409 176.117 -0.005 0.000 1.078 45 I CA -0.089 61.111 61.300 -0.167 0.000 1.292 45 I CB 0.030 37.880 38.000 -0.249 0.000 1.423 45 I HN 0.478 nan 8.210 nan 0.000 0.493 46 D N 5.038 125.475 120.400 0.061 0.000 2.249 46 D HA 0.266 4.915 4.640 0.015 0.000 0.246 46 D C 0.127 176.481 176.300 0.090 0.000 1.114 46 D CA -0.465 53.609 54.000 0.124 0.000 0.854 46 D CB 1.488 42.400 40.800 0.185 0.000 1.132 46 D HN 0.465 nan 8.370 nan 0.000 0.461 47 T N 0.011 114.620 114.554 0.091 0.000 2.892 47 T HA 0.369 4.728 4.350 0.015 0.000 0.280 47 T C 1.019 175.732 174.700 0.022 0.000 1.004 47 T CA -0.910 61.217 62.100 0.046 0.000 0.950 47 T CB 1.470 70.373 68.868 0.059 0.000 1.309 47 T HN 0.199 nan 8.240 nan 0.000 0.592 48 R N -0.005 120.487 120.500 -0.013 0.000 2.334 48 R HA 0.272 4.621 4.340 0.015 0.000 0.216 48 R C 0.020 176.352 176.300 0.052 0.000 0.905 48 R CA 0.079 56.173 56.100 -0.011 0.000 1.064 48 R CB -0.672 29.581 30.300 -0.078 0.000 1.046 48 R HN 0.734 nan 8.270 nan 0.000 0.508 49 H N -0.420 118.630 119.070 -0.033 0.000 3.086 49 H HA 0.137 4.701 4.556 0.014 0.000 0.353 49 H C -0.031 175.290 175.328 -0.011 0.000 1.134 49 H CA -0.304 55.733 56.048 -0.018 0.000 1.248 49 H CB 1.565 31.316 29.762 -0.019 0.000 1.878 49 H HN -0.224 nan 8.280 nan 0.000 0.527 50 E N 2.881 123.208 120.200 0.212 0.000 2.160 50 E HA -0.106 4.252 4.350 0.015 0.000 0.195 50 E C 1.922 178.604 176.600 0.137 0.000 0.991 50 E CA 1.678 58.170 56.400 0.153 0.000 0.810 50 E CB 0.151 29.895 29.700 0.074 0.000 0.742 50 E HN 0.619 nan 8.360 nan 0.000 0.466 51 A N 0.988 123.943 122.820 0.225 0.000 1.877 51 A HA -0.122 4.207 4.320 0.015 0.000 0.216 51 A C 2.387 179.881 177.584 -0.149 0.000 1.186 51 A CA 1.860 53.818 52.037 -0.133 0.000 0.620 51 A CB -0.892 17.923 19.000 -0.309 0.000 0.822 51 A HN 0.308 nan 8.150 nan 0.000 0.443 52 A N -0.200 122.606 122.820 -0.023 0.000 1.933 52 A HA 0.149 4.478 4.320 0.015 0.000 0.218 52 A C 2.495 180.085 177.584 0.011 0.000 1.175 52 A CA 2.126 54.174 52.037 0.018 0.000 0.628 52 A CB -0.983 17.998 19.000 -0.032 0.000 0.814 52 A HN 1.051 nan 8.150 nan 0.000 0.444 53 A N -0.425 122.416 122.820 0.035 0.000 1.877 53 A HA 0.120 4.449 4.320 0.015 0.000 0.216 53 A C 2.445 180.018 177.584 -0.017 0.000 1.186 53 A CA 1.972 54.048 52.037 0.065 0.000 0.620 53 A CB -1.453 17.618 19.000 0.118 0.000 0.822 53 A HN 0.730 nan 8.150 nan 0.000 0.443 54 G N -1.178 107.607 108.800 -0.025 0.000 2.446 54 G HA2 -0.269 3.700 3.960 0.015 0.000 0.217 54 G HA3 -0.269 3.700 3.960 0.015 0.000 0.217 54 G C 1.478 176.322 174.900 -0.093 0.000 1.168 54 G CA 1.154 46.252 45.100 -0.003 0.000 0.771 54 G HN 0.657 nan 8.290 nan 0.000 0.551 55 H N 0.830 119.885 119.070 -0.024 0.000 2.421 55 H HA 0.061 4.626 4.556 0.014 0.000 0.298 55 H C 2.901 178.108 175.328 -0.202 0.000 1.087 55 H CA 1.044 57.043 56.048 -0.082 0.000 1.330 55 H CB -0.570 29.148 29.762 -0.074 0.000 1.388 55 H HN 0.393 nan 8.280 nan 0.000 0.526 56 A N 1.260 123.965 122.820 -0.191 0.000 1.902 56 A HA -0.098 4.231 4.320 0.015 0.000 0.217 56 A C 2.720 179.733 177.584 -0.951 0.000 1.181 56 A CA 1.773 53.471 52.037 -0.566 0.000 0.623 56 A CB -0.799 17.815 19.000 -0.643 0.000 0.818 56 A HN 0.431 nan 8.150 nan 0.000 0.443 57 A N -0.227 122.137 122.820 -0.759 0.000 1.902 57 A HA -0.172 4.157 4.320 0.015 0.000 0.217 57 A C 1.909 179.350 177.584 -0.238 0.000 1.181 57 A CA 1.650 53.382 52.037 -0.509 0.000 0.623 57 A CB -0.531 18.274 19.000 -0.325 0.000 0.818 57 A HN 0.647 nan 8.150 nan 0.000 0.443 58 E N -0.714 119.383 120.200 -0.171 0.000 2.058 58 E HA -0.142 4.217 4.350 0.015 0.000 0.194 58 E C 2.159 178.715 176.600 -0.072 0.000 0.997 58 E CA 0.919 57.284 56.400 -0.059 0.000 0.801 58 E CB -0.401 29.316 29.700 0.027 0.000 0.746 58 E HN 0.608 nan 8.360 nan 0.000 0.450 59 G N 0.260 108.987 108.800 -0.122 0.000 2.422 59 G HA2 -0.294 3.675 3.960 0.015 0.000 0.218 59 G HA3 -0.294 3.675 3.960 0.015 0.000 0.218 59 G C 1.390 176.247 174.900 -0.070 0.000 1.146 59 G CA 0.742 45.774 45.100 -0.113 0.000 0.769 59 G HN 0.277 nan 8.290 nan 0.000 0.547 60 Y N 1.879 122.038 120.300 -0.235 0.000 2.145 60 Y HA 0.013 4.571 4.550 0.015 0.000 0.286 60 Y C 2.926 178.789 175.900 -0.063 0.000 1.145 60 Y CA 1.582 59.607 58.100 -0.125 0.000 1.148 60 Y CB -0.243 38.163 38.460 -0.090 0.000 0.981 60 Y HN 0.246 nan 8.280 nan 0.000 0.507 61 A N 0.597 123.477 122.820 0.101 0.000 1.877 61 A HA -0.193 4.136 4.320 0.015 0.000 0.216 61 A C 2.257 179.812 177.584 -0.049 0.000 1.186 61 A CA 1.952 54.007 52.037 0.031 0.000 0.620 61 A CB -0.606 18.423 19.000 0.049 0.000 0.822 61 A HN 0.546 nan 8.150 nan 0.000 0.443 62 R N -0.647 119.819 120.500 -0.056 0.000 2.066 62 R HA 0.015 4.364 4.340 0.015 0.000 0.232 62 R C 2.481 178.730 176.300 -0.084 0.000 1.131 62 R CA 1.237 57.295 56.100 -0.069 0.000 0.955 62 R CB -0.452 29.800 30.300 -0.080 0.000 0.851 62 R HN 0.482 nan 8.270 nan 0.000 0.432 63 A N 0.377 123.136 122.820 -0.102 0.000 1.968 63 A HA -0.014 4.315 4.320 0.015 0.000 0.217 63 A C 2.118 179.624 177.584 -0.129 0.000 1.169 63 A CA 1.548 53.523 52.037 -0.103 0.000 0.638 63 A CB -0.520 18.420 19.000 -0.101 0.000 0.812 63 A HN 0.465 nan 8.150 nan 0.000 0.446 64 G N -2.160 106.523 108.800 -0.195 0.000 3.088 64 G HA2 0.390 4.358 3.960 0.015 0.000 0.217 64 G HA3 0.390 4.358 3.960 0.015 0.000 0.217 64 G C 0.770 175.578 174.900 -0.154 0.000 1.159 64 G CA 0.578 45.536 45.100 -0.237 0.000 0.760 64 G HN 1.480 nan 8.290 nan 0.000 0.550 65 A N 0.330 123.086 122.820 -0.108 0.000 2.415 65 A HA -0.085 4.244 4.320 0.015 0.000 0.292 65 A C 0.708 178.259 177.584 -0.055 0.000 1.452 65 A CA 1.711 53.709 52.037 -0.066 0.000 0.750 65 A CB -1.945 17.025 19.000 -0.050 0.000 1.099 65 A HN 0.924 nan 8.150 nan 0.000 0.391 66 K N -1.405 118.965 120.400 -0.051 0.000 2.507 66 K HA 0.796 5.125 4.320 0.015 0.000 0.284 66 K C -0.611 176.021 176.600 0.052 0.000 1.038 66 K CA -1.173 55.110 56.287 -0.007 0.000 0.903 66 K CB 0.748 33.233 32.500 -0.024 0.000 1.531 66 K HN 0.697 nan 8.250 nan 0.000 0.430 67 L N 1.423 122.703 121.223 0.095 0.000 2.410 67 L HA 0.357 4.705 4.340 0.015 0.000 0.273 67 L C 0.074 177.072 176.870 0.213 0.000 1.152 67 L CA 0.808 55.716 54.840 0.115 0.000 0.855 67 L CB 0.815 42.928 42.059 0.090 0.000 1.129 67 L HN 0.771 nan 8.230 nan 0.000 0.463 68 G N 4.452 113.342 108.800 0.150 0.000 2.389 68 G HA2 0.573 4.542 3.960 0.015 0.000 0.317 68 G HA3 0.573 4.542 3.960 0.015 0.000 0.317 68 G C -1.411 173.477 174.900 -0.020 0.000 1.137 68 G CA -0.473 44.707 45.100 0.133 0.000 0.870 68 G HN 0.549 nan 8.290 nan 0.000 0.496 69 V N 0.979 120.876 119.914 -0.029 0.000 2.483 69 V HA 0.703 4.832 4.120 0.015 0.000 0.297 69 V C 0.242 176.286 176.094 -0.084 0.000 1.027 69 V CA -0.794 61.452 62.300 -0.090 0.000 0.855 69 V CB 1.187 32.972 31.823 -0.062 0.000 0.995 69 V HN 1.121 nan 8.190 nan 0.000 0.424 70 A N 4.785 127.477 122.820 -0.214 0.000 2.340 70 A HA 0.966 5.295 4.320 0.015 0.000 0.331 70 A C -1.224 176.341 177.584 -0.032 0.000 1.140 70 A CA -0.590 51.365 52.037 -0.137 0.000 0.801 70 A CB 1.521 20.330 19.000 -0.319 0.000 1.234 70 A HN 0.915 nan 8.150 nan 0.000 0.469 71 L N 3.143 124.381 121.223 0.025 0.000 2.446 71 L HA 0.697 5.046 4.340 0.015 0.000 0.268 71 L C -0.744 176.182 176.870 0.094 0.000 0.975 71 L CA -0.406 54.456 54.840 0.037 0.000 0.848 71 L CB 1.729 43.756 42.059 -0.053 0.000 1.225 71 L HN 1.008 nan 8.230 nan 0.000 0.410 72 V N 1.053 121.029 119.914 0.104 0.000 3.078 72 V HA 0.753 4.882 4.120 0.015 0.000 0.311 72 V C -0.139 175.976 176.094 0.035 0.000 1.138 72 V CA -0.321 62.032 62.300 0.088 0.000 1.007 72 V CB 1.653 33.539 31.823 0.106 0.000 1.045 72 V HN 0.763 nan 8.190 nan 0.000 0.432 73 T N 1.494 116.030 114.554 -0.030 0.000 2.810 73 T HA 0.720 5.079 4.350 0.015 0.000 0.277 73 T C 0.559 175.156 174.700 -0.171 0.000 0.973 73 T CA 0.330 62.349 62.100 -0.136 0.000 0.949 73 T CB 1.108 69.849 68.868 -0.212 0.000 1.075 73 T HN 1.790 nan 8.240 nan 0.000 0.537 74 A N 0.409 122.997 122.820 -0.385 0.000 2.466 74 A HA 0.539 4.868 4.320 0.015 0.000 0.238 74 A C 1.457 178.894 177.584 -0.246 0.000 1.074 74 A CA 0.524 52.329 52.037 -0.387 0.000 0.774 74 A CB -1.197 17.351 19.000 -0.753 0.000 1.015 74 A HN 1.823 nan 8.150 nan 0.000 0.498 75 G N 1.343 110.074 108.800 -0.116 0.000 2.720 75 G HA2 -0.139 3.830 3.960 0.015 0.000 0.293 75 G HA3 -0.139 3.830 3.960 0.015 0.000 0.293 75 G C 1.484 176.397 174.900 0.023 0.000 1.256 75 G CA 1.036 46.108 45.100 -0.046 0.000 0.974 75 G HN 1.976 nan 8.290 nan 0.000 0.551 76 G N 0.980 109.762 108.800 -0.030 0.000 2.484 76 G HA2 0.309 4.278 3.960 0.015 0.000 0.218 76 G HA3 0.309 4.278 3.960 0.015 0.000 0.218 76 G C 1.796 176.670 174.900 -0.043 0.000 1.130 76 G CA 1.946 47.026 45.100 -0.033 0.000 0.784 76 G HN 1.688 nan 8.290 nan 0.000 0.543 77 G N 0.829 109.603 108.800 -0.042 0.000 2.433 77 G HA2 -0.224 3.745 3.960 0.015 0.000 0.216 77 G HA3 -0.224 3.745 3.960 0.015 0.000 0.216 77 G C 1.573 176.480 174.900 0.013 0.000 1.186 77 G CA 1.003 46.087 45.100 -0.026 0.000 0.779 77 G HN 0.368 nan 8.290 nan 0.000 0.543 78 F N 2.717 122.619 119.950 -0.081 0.000 2.075 78 F HA -0.130 4.407 4.527 0.016 0.000 0.297 78 F C 3.046 178.800 175.800 -0.076 0.000 1.113 78 F CA 2.529 60.484 58.000 -0.075 0.000 1.218 78 F CB -0.794 38.148 39.000 -0.096 0.000 0.984 78 F HN 0.224 nan 8.300 nan 0.000 0.472 79 T N -1.506 112.914 114.554 -0.224 0.000 2.833 79 T HA -0.181 4.178 4.350 0.015 0.000 0.269 79 T C 1.704 176.230 174.700 -0.290 0.000 1.054 79 T CA 1.428 63.321 62.100 -0.344 0.000 1.135 79 T CB -0.763 68.063 68.868 -0.070 0.000 0.869 79 T HN 0.256 nan 8.240 nan 0.000 0.466 80 N N 2.042 120.645 118.700 -0.161 0.000 2.453 80 N HA 0.132 4.881 4.740 0.015 0.000 0.183 80 N C 1.691 177.148 175.510 -0.090 0.000 1.041 80 N CA 1.037 54.062 53.050 -0.042 0.000 0.900 80 N CB -0.391 38.103 38.487 0.012 0.000 0.961 80 N HN 0.699 nan 8.380 nan 0.000 0.443 81 A N -0.378 122.293 122.820 -0.248 0.000 2.275 81 A HA 0.163 4.492 4.320 0.015 0.000 0.212 81 A C 2.067 179.389 177.584 -0.438 0.000 1.201 81 A CA -0.042 51.837 52.037 -0.263 0.000 0.843 81 A CB 0.084 18.995 19.000 -0.148 0.000 0.873 81 A HN 0.044 nan 8.150 nan 0.000 0.492 82 V N -0.221 119.401 119.914 -0.488 0.000 2.515 82 V HA -0.174 3.954 4.120 0.015 0.000 0.250 82 V C 2.683 178.606 176.094 -0.285 0.000 1.058 82 V CA 2.502 64.519 62.300 -0.472 0.000 1.064 82 V CB -0.764 30.788 31.823 -0.451 0.000 0.675 82 V HN 0.599 nan 8.190 nan 0.000 0.461 83 T N 0.262 114.697 114.554 -0.197 0.000 2.708 83 T HA -0.096 4.263 4.350 0.015 0.000 0.266 83 T C -0.089 174.592 174.700 -0.031 0.000 1.037 83 T CA 1.727 63.781 62.100 -0.076 0.000 1.146 83 T CB -1.155 67.714 68.868 0.001 0.000 0.865 83 T HN 0.421 nan 8.240 nan 0.000 0.435 84 P HA -0.048 nan 4.420 nan 0.000 0.215 84 P C 1.466 178.784 177.300 0.030 0.000 1.157 84 P CA 1.041 64.070 63.100 -0.118 0.000 0.874 84 P CB -0.215 31.369 31.700 -0.194 0.000 0.790 85 I N -0.872 119.506 120.570 -0.321 0.000 2.179 85 I HA -0.272 3.907 4.170 0.015 0.000 0.242 85 I C 2.340 178.431 176.117 -0.044 0.000 1.088 85 I CA 1.671 62.708 61.300 -0.438 0.000 1.357 85 I CB -0.896 36.671 38.000 -0.721 0.000 1.051 85 I HN -0.079 nan 8.210 nan 0.000 0.409 86 A N 0.536 123.334 122.820 -0.036 0.000 1.898 86 A HA -0.242 4.087 4.320 0.015 0.000 0.216 86 A C 2.197 179.895 177.584 0.189 0.000 1.181 86 A CA 1.924 54.017 52.037 0.093 0.000 0.620 86 A CB -0.931 18.089 19.000 0.034 0.000 0.819 86 A HN 0.513 nan 8.150 nan 0.000 0.442 87 N N 0.162 118.950 118.700 0.146 0.000 2.084 87 N HA -0.149 4.600 4.740 0.015 0.000 0.190 87 N C 1.966 177.563 175.510 0.145 0.000 1.030 87 N CA 1.336 54.471 53.050 0.142 0.000 0.849 87 N CB -0.179 38.407 38.487 0.165 0.000 1.012 87 N HN 0.387 nan 8.380 nan 0.000 0.423 88 A N 1.473 124.413 122.820 0.199 0.000 1.933 88 A HA -0.177 4.152 4.320 0.015 0.000 0.218 88 A C 2.016 179.726 177.584 0.210 0.000 1.175 88 A CA 0.996 53.157 52.037 0.206 0.000 0.628 88 A CB -1.266 17.926 19.000 0.320 0.000 0.814 88 A HN 0.730 nan 8.150 nan 0.000 0.444 89 W N 0.640 121.978 121.300 0.064 0.000 2.354 89 W HA -0.178 4.490 4.660 0.014 0.000 0.315 89 W C 1.493 178.039 176.519 0.045 0.000 1.206 89 W CA 1.738 59.116 57.345 0.055 0.000 1.290 89 W CB -0.341 29.142 29.460 0.040 0.000 1.152 89 W HN 0.290 nan 8.180 nan 0.000 0.489 90 L N 0.539 121.746 121.223 -0.027 0.000 2.291 90 L HA -0.148 4.201 4.340 0.015 0.000 0.214 90 L C 1.517 178.239 176.870 -0.248 0.000 1.120 90 L CA 1.074 55.817 54.840 -0.162 0.000 0.799 90 L CB -0.757 41.352 42.059 0.083 0.000 0.925 90 L HN -0.176 nan 8.230 nan 0.000 0.446 91 D N 0.221 120.526 120.400 -0.159 0.000 2.349 91 D HA 0.025 4.674 4.640 0.015 0.000 0.215 91 D C 0.322 176.525 176.300 -0.162 0.000 1.016 91 D CA 0.084 53.975 54.000 -0.182 0.000 0.870 91 D CB 0.152 40.896 40.800 -0.094 0.000 0.917 91 D HN 0.028 nan 8.370 nan 0.000 0.524 92 R N -0.153 120.251 120.500 -0.159 0.000 3.267 92 R HA -0.121 4.228 4.340 0.015 0.000 0.254 92 R C -0.689 175.584 176.300 -0.044 0.000 0.993 92 R CA 0.507 56.535 56.100 -0.121 0.000 0.670 92 R CB -2.513 27.697 30.300 -0.149 0.000 1.125 92 R HN 0.040 nan 8.270 nan 0.000 0.434 93 T N 1.871 116.431 114.554 0.009 0.000 2.771 93 T HA 0.353 4.712 4.350 0.015 0.000 0.281 93 T C -2.254 172.492 174.700 0.077 0.000 0.982 93 T CA -1.469 60.651 62.100 0.032 0.000 0.978 93 T CB 1.819 70.710 68.868 0.038 0.000 0.930 93 T HN 0.018 nan 8.240 nan 0.000 0.447 94 P HA 0.328 nan 4.420 nan 0.000 0.274 94 P C -0.973 176.365 177.300 0.063 0.000 1.470 94 P CA -0.296 62.850 63.100 0.077 0.000 1.001 94 P CB 0.246 31.979 31.700 0.055 0.000 1.332 95 V N 5.504 125.465 119.914 0.080 0.000 2.487 95 V HA 0.225 4.354 4.120 0.015 0.000 0.298 95 V C 0.174 176.254 176.094 -0.023 0.000 1.028 95 V CA -0.965 61.297 62.300 -0.064 0.000 0.860 95 V CB 2.136 33.793 31.823 -0.276 0.000 0.991 95 V HN 0.311 nan 8.190 nan 0.000 0.427 96 L N 6.016 127.197 121.223 -0.069 0.000 2.283 96 L HA 0.527 4.876 4.340 0.015 0.000 0.287 96 L C -0.792 176.011 176.870 -0.111 0.000 1.073 96 L CA 0.385 55.233 54.840 0.014 0.000 0.822 96 L CB -0.057 42.027 42.059 0.040 0.000 1.186 96 L HN 0.452 nan 8.230 nan 0.000 0.436 97 F N 6.184 126.176 119.950 0.070 0.000 2.390 97 F HA 0.370 4.906 4.527 0.015 0.000 0.361 97 F C 0.021 175.853 175.800 0.053 0.000 1.124 97 F CA -0.374 57.662 58.000 0.060 0.000 1.149 97 F CB 0.597 39.638 39.000 0.068 0.000 1.160 97 F HN 0.268 nan 8.300 nan 0.000 0.501 98 L N 3.586 124.903 121.223 0.157 0.000 2.265 98 L HA 0.430 4.779 4.340 0.015 0.000 0.288 98 L C 0.303 177.247 176.870 0.122 0.000 1.058 98 L CA -0.249 54.656 54.840 0.108 0.000 0.809 98 L CB 1.355 43.444 42.059 0.050 0.000 1.179 98 L HN 0.516 nan 8.230 nan 0.000 0.429 99 T N 2.212 116.825 114.554 0.098 0.000 2.863 99 T HA 0.614 4.973 4.350 0.015 0.000 0.285 99 T C 0.249 174.952 174.700 0.005 0.000 1.009 99 T CA -0.388 61.759 62.100 0.078 0.000 0.989 99 T CB 1.464 70.411 68.868 0.132 0.000 1.004 99 T HN 0.693 nan 8.240 nan 0.000 0.455 100 G N 2.170 110.957 108.800 -0.021 0.000 2.634 100 G HA2 0.555 4.524 3.960 0.015 0.000 0.255 100 G HA3 0.555 4.524 3.960 0.015 0.000 0.255 100 G C -0.285 174.563 174.900 -0.088 0.000 1.205 100 G CA 0.028 45.099 45.100 -0.047 0.000 0.884 100 G HN 1.204 nan 8.290 nan 0.000 0.549 101 S N -1.611 114.071 115.700 -0.031 0.000 2.643 101 S HA 0.689 5.168 4.470 0.015 0.000 0.270 101 S C 0.072 174.746 174.600 0.123 0.000 1.166 101 S CA -0.223 57.949 58.200 -0.047 0.000 0.815 101 S CB 0.914 64.059 63.200 -0.092 0.000 1.139 101 S HN 1.489 nan 8.310 nan 0.000 0.472 102 G N 0.336 109.192 108.800 0.093 0.000 2.484 102 G HA2 0.490 4.459 3.960 0.015 0.000 0.235 102 G HA3 0.490 4.459 3.960 0.015 0.000 0.235 102 G C 0.470 175.485 174.900 0.193 0.000 1.282 102 G CA -0.137 45.084 45.100 0.202 0.000 0.857 102 G HN 1.400 nan 8.290 nan 0.000 0.571 103 A N 1.721 124.679 122.820 0.229 0.000 2.511 103 A HA 0.275 4.604 4.320 0.015 0.000 0.242 103 A C 1.601 179.218 177.584 0.056 0.000 1.069 103 A CA -0.329 51.785 52.037 0.128 0.000 0.763 103 A CB 0.199 19.222 19.000 0.038 0.000 1.001 103 A HN 0.737 nan 8.150 nan 0.000 0.498 104 L N 2.190 123.431 121.223 0.030 0.000 2.083 104 L HA -0.215 4.134 4.340 0.015 0.000 0.209 104 L C 2.769 179.636 176.870 -0.005 0.000 1.083 104 L CA 2.031 56.874 54.840 0.005 0.000 0.752 104 L CB -0.562 41.494 42.059 -0.005 0.000 0.899 104 L HN 0.980 nan 8.230 nan 0.000 0.433 105 R N -0.471 120.019 120.500 -0.016 0.000 2.237 105 R HA -0.102 4.247 4.340 0.015 0.000 0.219 105 R C 0.286 176.573 176.300 -0.023 0.000 1.080 105 R CA 1.307 57.391 56.100 -0.027 0.000 0.995 105 R CB -0.346 29.927 30.300 -0.044 0.000 0.875 105 R HN 0.305 nan 8.270 nan 0.000 0.462 106 D N 1.059 121.452 120.400 -0.012 0.000 2.501 106 D HA 0.059 4.707 4.640 0.015 0.000 0.226 106 D C -0.700 175.606 176.300 0.010 0.000 1.198 106 D CA -0.231 53.767 54.000 -0.004 0.000 0.830 106 D CB 0.011 40.810 40.800 -0.002 0.000 1.014 106 D HN 0.171 nan 8.370 nan 0.000 0.496 107 D N 1.778 122.181 120.400 0.005 0.000 2.525 107 D HA -0.108 4.541 4.640 0.015 0.000 0.235 107 D C 0.631 176.932 176.300 0.001 0.000 1.137 107 D CA 0.865 54.867 54.000 0.003 0.000 0.868 107 D CB 0.499 41.296 40.800 -0.005 0.000 1.180 107 D HN -0.115 nan 8.370 nan 0.000 0.465 108 E N 1.605 121.807 120.200 0.002 0.000 2.513 108 E HA -0.190 4.169 4.350 0.015 0.000 0.257 108 E C 0.302 176.903 176.600 0.003 0.000 1.098 108 E CA 1.130 57.530 56.400 -0.000 0.000 0.752 108 E CB -2.181 27.516 29.700 -0.005 0.000 1.324 108 E HN 0.644 nan 8.360 nan 0.000 0.403 109 T N -3.314 111.245 114.554 0.008 0.000 3.129 109 T HA 0.149 4.508 4.350 0.015 0.000 0.267 109 T C 0.580 175.289 174.700 0.014 0.000 1.018 109 T CA 0.014 62.120 62.100 0.009 0.000 0.903 109 T CB 0.160 69.033 68.868 0.009 0.000 1.067 109 T HN 0.083 nan 8.240 nan 0.000 0.549 110 N N 1.432 120.140 118.700 0.014 0.000 2.716 110 N HA -0.132 4.617 4.740 0.015 0.000 0.250 110 N C -0.042 175.484 175.510 0.026 0.000 1.033 110 N CA 1.227 54.287 53.050 0.016 0.000 0.727 110 N CB -1.612 36.882 38.487 0.011 0.000 0.950 110 N HN 0.636 nan 8.380 nan 0.000 0.541 111 T N -0.343 114.234 114.554 0.039 0.000 2.884 111 T HA 0.482 4.841 4.350 0.015 0.000 0.277 111 T C 0.318 175.063 174.700 0.075 0.000 0.976 111 T CA -0.772 61.363 62.100 0.059 0.000 0.956 111 T CB 0.839 69.749 68.868 0.071 0.000 1.113 111 T HN 0.194 nan 8.240 nan 0.000 0.554 112 L N 2.689 123.974 121.223 0.103 0.000 2.559 112 L HA 0.148 4.497 4.340 0.015 0.000 0.274 112 L C 1.015 177.955 176.870 0.117 0.000 1.205 112 L CA 1.213 56.119 54.840 0.111 0.000 0.907 112 L CB -0.516 41.634 42.059 0.152 0.000 1.153 112 L HN 0.944 nan 8.230 nan 0.000 0.490 113 Q N 1.419 121.241 119.800 0.036 0.000 2.362 113 Q HA -0.257 4.092 4.340 0.015 0.000 0.220 113 Q C 0.081 176.058 176.000 -0.039 0.000 0.713 113 Q CA 1.134 56.909 55.803 -0.047 0.000 1.345 113 Q CB -1.635 26.985 28.738 -0.196 0.000 1.570 113 Q HN 0.903 nan 8.270 nan 0.000 0.701 114 A N -0.784 122.048 122.820 0.021 0.000 2.269 114 A HA 0.731 5.060 4.320 0.015 0.000 0.319 114 A C 1.273 178.855 177.584 -0.004 0.000 1.110 114 A CA 0.534 52.583 52.037 0.019 0.000 0.847 114 A CB 1.068 20.104 19.000 0.060 0.000 1.161 114 A HN 0.843 nan 8.150 nan 0.000 0.497 115 G N -0.766 108.023 108.800 -0.018 0.000 2.176 115 G HA2 -0.134 3.834 3.960 0.015 0.000 0.232 115 G HA3 -0.134 3.834 3.960 0.015 0.000 0.232 115 G C -0.083 174.796 174.900 -0.035 0.000 0.986 115 G CA 0.109 45.196 45.100 -0.023 0.000 0.643 115 G HN 0.629 nan 8.290 nan 0.000 0.522 116 I N 1.815 122.355 120.570 -0.051 0.000 2.315 116 I HA 0.297 4.476 4.170 0.015 0.000 0.291 116 I C -0.103 175.944 176.117 -0.116 0.000 1.006 116 I CA -1.296 59.969 61.300 -0.057 0.000 1.265 116 I CB 1.357 39.340 38.000 -0.029 0.000 1.387 116 I HN 0.034 nan 8.210 nan 0.000 0.475 117 D N 6.385 126.723 120.400 -0.104 0.000 2.498 117 D HA 0.074 4.723 4.640 0.015 0.000 0.229 117 D C 1.133 177.296 176.300 -0.228 0.000 1.188 117 D CA 0.106 54.018 54.000 -0.146 0.000 1.028 117 D CB 0.546 41.286 40.800 -0.100 0.000 1.087 117 D HN 0.471 nan 8.370 nan 0.000 0.510 118 Q N 1.139 120.691 119.800 -0.412 0.000 2.079 118 Q HA -0.094 4.255 4.340 0.015 0.000 0.200 118 Q C 2.016 177.632 176.000 -0.641 0.000 0.974 118 Q CA 0.957 56.230 55.803 -0.882 0.000 0.840 118 Q CB 0.301 28.223 28.738 -1.360 0.000 0.898 118 Q HN 0.350 nan 8.270 nan 0.000 0.430 119 V N 1.117 120.777 119.914 -0.423 0.000 2.343 119 V HA -0.279 3.850 4.120 0.015 0.000 0.247 119 V C 2.303 178.282 176.094 -0.191 0.000 1.051 119 V CA 1.807 63.930 62.300 -0.295 0.000 1.036 119 V CB -0.976 30.681 31.823 -0.278 0.000 0.654 119 V HN 0.406 nan 8.190 nan 0.000 0.451 120 A N -0.443 122.282 122.820 -0.159 0.000 1.908 120 A HA -0.267 4.062 4.320 0.015 0.000 0.218 120 A C 2.237 179.778 177.584 -0.071 0.000 1.181 120 A CA 2.335 54.312 52.037 -0.100 0.000 0.627 120 A CB -0.513 18.439 19.000 -0.080 0.000 0.818 120 A HN 0.510 nan 8.150 nan 0.000 0.445 121 M N -0.781 118.795 119.600 -0.041 0.000 2.213 121 M HA -0.136 4.352 4.480 0.015 0.000 0.263 121 M C 2.302 178.628 176.300 0.043 0.000 1.062 121 M CA 1.472 56.800 55.300 0.047 0.000 1.105 121 M CB -0.294 32.433 32.600 0.212 0.000 1.385 121 M HN 0.487 nan 8.290 nan 0.000 0.417 122 A N -0.208 122.637 122.820 0.043 0.000 2.132 122 A HA 0.324 4.653 4.320 0.015 0.000 0.213 122 A C 2.307 179.801 177.584 -0.149 0.000 1.154 122 A CA 0.910 52.937 52.037 -0.018 0.000 0.753 122 A CB -0.513 18.516 19.000 0.049 0.000 0.826 122 A HN 0.419 nan 8.150 nan 0.000 0.469 123 A N 1.269 124.006 122.820 -0.138 0.000 1.917 123 A HA -0.101 4.227 4.320 0.015 0.000 0.219 123 A C 0.086 177.523 177.584 -0.244 0.000 1.182 123 A CA 2.041 53.984 52.037 -0.157 0.000 0.633 123 A CB -1.632 17.306 19.000 -0.104 0.000 0.819 123 A HN 0.467 nan 8.150 nan 0.000 0.448 124 P HA 0.023 nan 4.420 nan 0.000 0.233 124 P C 0.734 177.611 177.300 -0.706 0.000 1.167 124 P CA 0.788 63.693 63.100 -0.326 0.000 0.770 124 P CB -0.099 31.486 31.700 -0.191 0.000 0.837 125 I N -4.527 115.567 120.570 -0.794 0.000 3.658 125 I HA 0.359 4.538 4.170 0.015 0.000 0.328 125 I C -0.584 175.021 176.117 -0.854 0.000 1.567 125 I CA -0.526 60.063 61.300 -1.184 0.000 1.078 125 I CB 0.238 37.932 38.000 -0.510 0.000 1.267 125 I HN -0.253 nan 8.210 nan 0.000 0.495 126 T N -3.350 110.737 114.554 -0.778 0.000 2.903 126 T HA 0.451 4.810 4.350 0.015 0.000 0.299 126 T C 0.391 175.077 174.700 -0.023 0.000 1.093 126 T CA -0.808 61.178 62.100 -0.189 0.000 1.002 126 T CB 2.613 71.448 68.868 -0.055 0.000 1.127 126 T HN 0.106 nan 8.240 nan 0.000 0.488 127 K N -0.340 120.280 120.400 0.367 0.000 2.148 127 K HA 0.054 4.383 4.320 0.015 0.000 0.204 127 K C -0.169 176.649 176.600 0.363 0.000 1.050 127 K CA 1.017 57.544 56.287 0.401 0.000 0.942 127 K CB 0.099 32.819 32.500 0.366 0.000 0.724 127 K HN 0.641 nan 8.250 nan 0.000 0.446 128 W N -0.645 120.710 121.300 0.092 0.000 3.479 128 W HA 0.458 5.128 4.660 0.015 0.000 0.304 128 W C -2.146 174.413 176.519 0.067 0.000 1.243 128 W CA -0.980 56.405 57.345 0.066 0.000 1.202 128 W CB 1.310 30.810 29.460 0.067 0.000 1.346 128 W HN -0.152 nan 8.180 nan 0.000 0.539 129 A N 4.103 126.683 122.820 -0.399 0.000 2.381 129 A HA 0.711 5.040 4.320 0.015 0.000 0.299 129 A C -2.188 174.989 177.584 -0.678 0.000 1.049 129 A CA -0.419 51.340 52.037 -0.462 0.000 0.715 129 A CB 1.502 20.361 19.000 -0.235 0.000 1.222 129 A HN 0.809 nan 8.150 nan 0.000 0.428 130 H N 0.439 119.006 119.070 -0.839 0.000 3.038 130 H HA 0.601 5.166 4.556 0.015 0.000 0.362 130 H C -0.782 174.308 175.328 -0.396 0.000 1.167 130 H CA -0.394 55.237 56.048 -0.695 0.000 1.197 130 H CB 1.385 30.485 29.762 -1.105 0.000 1.840 130 H HN 0.748 nan 8.280 nan 0.000 0.540 131 R N 3.932 124.013 120.500 -0.698 0.000 2.294 131 R HA 0.485 4.834 4.340 0.015 0.000 0.319 131 R C -1.067 175.037 176.300 -0.327 0.000 0.984 131 R CA -0.765 55.087 56.100 -0.413 0.000 0.861 131 R CB 0.818 30.919 30.300 -0.332 0.000 1.104 131 R HN 0.394 nan 8.270 nan 0.000 0.451 132 V N 6.473 126.340 119.914 -0.077 0.000 2.555 132 V HA 0.025 4.154 4.120 0.015 0.000 0.286 132 V C 1.141 177.259 176.094 0.041 0.000 1.044 132 V CA 0.075 62.420 62.300 0.075 0.000 1.026 132 V CB 1.449 33.337 31.823 0.107 0.000 0.981 132 V HN 0.884 nan 8.190 nan 0.000 0.480 133 M N 3.241 122.906 119.600 0.109 0.000 2.461 133 M HA 0.375 4.864 4.480 0.015 0.000 0.255 133 M C 0.494 176.764 176.300 -0.049 0.000 1.137 133 M CA 0.460 55.790 55.300 0.050 0.000 1.086 133 M CB 0.379 33.050 32.600 0.117 0.000 1.356 133 M HN 0.736 nan 8.290 nan 0.000 0.487 134 A N -0.490 122.233 122.820 -0.163 0.000 2.488 134 A HA 0.533 4.862 4.320 0.015 0.000 0.295 134 A C 0.789 178.230 177.584 -0.238 0.000 1.045 134 A CA -0.461 51.368 52.037 -0.346 0.000 0.703 134 A CB 0.563 19.094 19.000 -0.782 0.000 1.271 134 A HN 0.176 nan 8.150 nan 0.000 0.400 135 T N 1.069 115.550 114.554 -0.123 0.000 2.737 135 T HA -0.170 4.189 4.350 0.015 0.000 0.269 135 T C 1.418 176.102 174.700 -0.027 0.000 1.040 135 T CA 2.535 64.609 62.100 -0.043 0.000 1.142 135 T CB -0.145 68.710 68.868 -0.023 0.000 0.861 135 T HN 0.775 nan 8.240 nan 0.000 0.456 136 E N 0.315 120.471 120.200 -0.074 0.000 2.265 136 E HA -0.077 4.282 4.350 0.015 0.000 0.196 136 E C 1.710 178.391 176.600 0.136 0.000 0.996 136 E CA 0.815 57.222 56.400 0.012 0.000 0.832 136 E CB -0.305 29.402 29.700 0.011 0.000 0.756 136 E HN 0.729 nan 8.360 nan 0.000 0.491 137 H N -0.830 118.273 119.070 0.055 0.000 2.548 137 H HA 0.128 4.692 4.556 0.015 0.000 0.268 137 H C 1.657 177.031 175.328 0.077 0.000 0.975 137 H CA -0.099 55.990 56.048 0.069 0.000 1.195 137 H CB 0.196 30.013 29.762 0.092 0.000 1.397 137 H HN 0.115 nan 8.280 nan 0.000 0.572 138 I N 1.338 122.009 120.570 0.169 0.000 2.099 138 I HA -0.204 3.975 4.170 0.015 0.000 0.239 138 I C -0.611 175.573 176.117 0.111 0.000 1.066 138 I CA 1.267 62.644 61.300 0.128 0.000 1.324 138 I CB -0.898 37.153 38.000 0.084 0.000 1.037 138 I HN 0.202 nan 8.210 nan 0.000 0.401 139 P HA -0.178 nan 4.420 nan 0.000 0.216 139 P C 1.241 178.582 177.300 0.069 0.000 1.153 139 P CA 1.476 64.615 63.100 0.065 0.000 0.848 139 P CB -0.215 31.514 31.700 0.048 0.000 0.787 140 R N -0.072 120.473 120.500 0.076 0.000 2.115 140 R HA -0.028 4.321 4.340 0.015 0.000 0.230 140 R C 1.960 178.304 176.300 0.073 0.000 1.111 140 R CA 1.348 57.480 56.100 0.053 0.000 0.976 140 R CB -1.457 28.861 30.300 0.030 0.000 0.870 140 R HN 0.199 nan 8.270 nan 0.000 0.445 141 L N 0.903 122.205 121.223 0.132 0.000 2.209 141 L HA -0.005 4.344 4.340 0.015 0.000 0.207 141 L C 2.439 179.448 176.870 0.233 0.000 1.094 141 L CA 0.290 55.259 54.840 0.215 0.000 0.790 141 L CB -0.183 42.050 42.059 0.290 0.000 0.932 141 L HN 0.020 nan 8.230 nan 0.000 0.447 142 V N -0.219 119.791 119.914 0.160 0.000 2.295 142 V HA -0.332 3.797 4.120 0.015 0.000 0.246 142 V C 2.500 178.662 176.094 0.113 0.000 1.049 142 V CA 1.911 64.290 62.300 0.132 0.000 1.024 142 V CB -0.367 31.506 31.823 0.084 0.000 0.648 142 V HN 0.358 nan 8.190 nan 0.000 0.447 143 M N -0.390 119.256 119.600 0.076 0.000 2.159 143 M HA -0.181 4.308 4.480 0.015 0.000 0.263 143 M C 2.174 178.495 176.300 0.034 0.000 1.063 143 M CA 1.740 57.067 55.300 0.045 0.000 1.110 143 M CB -0.703 31.911 32.600 0.022 0.000 1.374 143 M HN 0.379 nan 8.290 nan 0.000 0.411 144 Q N -0.912 118.905 119.800 0.028 0.000 2.084 144 Q HA -0.165 4.184 4.340 0.015 0.000 0.202 144 Q C 1.908 177.898 176.000 -0.017 0.000 0.978 144 Q CA 1.866 57.628 55.803 -0.067 0.000 0.844 144 Q CB -0.184 28.449 28.738 -0.176 0.000 0.898 144 Q HN 0.598 nan 8.270 nan 0.000 0.426 145 A N 0.652 123.599 122.820 0.210 0.000 1.902 145 A HA -0.166 4.163 4.320 0.015 0.000 0.217 145 A C 1.973 179.678 177.584 0.202 0.000 1.181 145 A CA 1.268 53.525 52.037 0.366 0.000 0.623 145 A CB -0.638 18.623 19.000 0.434 0.000 0.818 145 A HN 0.478 nan 8.150 nan 0.000 0.443 146 I N -0.900 119.748 120.570 0.130 0.000 2.226 146 I HA -0.276 3.903 4.170 0.015 0.000 0.245 146 I C 2.781 178.934 176.117 0.060 0.000 1.100 146 I CA 1.363 62.715 61.300 0.087 0.000 1.374 146 I CB -0.356 37.680 38.000 0.060 0.000 1.057 146 I HN 0.306 nan 8.210 nan 0.000 0.413 147 R N 0.709 121.226 120.500 0.029 0.000 2.081 147 R HA -0.145 4.204 4.340 0.015 0.000 0.235 147 R C 2.455 178.759 176.300 0.008 0.000 1.131 147 R CA 1.476 57.576 56.100 0.001 0.000 0.960 147 R CB -0.484 29.795 30.300 -0.035 0.000 0.856 147 R HN 0.375 nan 8.270 nan 0.000 0.436 148 A N 1.344 124.174 122.820 0.016 0.000 1.877 148 A HA -0.127 4.202 4.320 0.015 0.000 0.216 148 A C 2.385 180.031 177.584 0.104 0.000 1.186 148 A CA 1.762 53.828 52.037 0.048 0.000 0.620 148 A CB -0.625 18.429 19.000 0.089 0.000 0.822 148 A HN 0.399 nan 8.150 nan 0.000 0.443 149 A N -0.609 122.288 122.820 0.129 0.000 1.930 149 A HA 0.057 4.386 4.320 0.015 0.000 0.217 149 A C 2.059 179.695 177.584 0.085 0.000 1.175 149 A CA 1.400 53.517 52.037 0.132 0.000 0.627 149 A CB -0.466 18.617 19.000 0.139 0.000 0.815 149 A HN 0.460 nan 8.150 nan 0.000 0.443 150 L N -0.229 121.030 121.223 0.059 0.000 2.492 150 L HA 0.062 4.410 4.340 0.015 0.000 0.223 150 L C 0.631 177.514 176.870 0.021 0.000 1.132 150 L CA -0.175 54.686 54.840 0.035 0.000 0.850 150 L CB -0.083 41.990 42.059 0.023 0.000 0.966 150 L HN 0.157 nan 8.230 nan 0.000 0.454 151 S N 0.203 115.918 115.700 0.024 0.000 2.617 151 S HA 0.526 5.005 4.470 0.015 0.000 0.269 151 S C 0.319 174.928 174.600 0.015 0.000 1.292 151 S CA -0.759 57.449 58.200 0.013 0.000 1.010 151 S CB 1.530 64.734 63.200 0.006 0.000 0.944 151 S HN 0.212 nan 8.310 nan 0.000 0.536 152 A N 3.498 126.322 122.820 0.005 0.000 2.450 152 A HA 0.496 4.825 4.320 0.015 0.000 0.255 152 A C -2.299 175.287 177.584 0.003 0.000 1.096 152 A CA -1.261 50.776 52.037 -0.001 0.000 0.778 152 A CB -0.451 18.546 19.000 -0.005 0.000 1.031 152 A HN 0.498 nan 8.150 nan 0.000 0.494 153 P HA 0.345 nan 4.420 nan 0.000 0.280 153 P C -0.400 176.894 177.300 -0.010 0.000 1.244 153 P CA -0.492 62.593 63.100 -0.025 0.000 0.784 153 P CB 0.716 32.381 31.700 -0.058 0.000 0.913 154 R N 1.141 121.636 120.500 -0.009 0.000 2.811 154 R HA 0.569 4.918 4.340 0.015 0.000 0.265 154 R C 1.090 177.411 176.300 0.035 0.000 1.026 154 R CA 1.130 57.242 56.100 0.020 0.000 1.142 154 R CB -0.345 29.961 30.300 0.010 0.000 1.027 154 R HN 0.861 nan 8.270 nan 0.000 0.465 155 G N 0.874 109.734 108.800 0.100 0.000 2.356 155 G HA2 0.336 4.305 3.960 0.015 0.000 0.294 155 G HA3 0.336 4.305 3.960 0.015 0.000 0.294 155 G C -3.052 172.001 174.900 0.255 0.000 1.423 155 G CA -1.026 44.178 45.100 0.173 0.000 0.806 155 G HN 0.434 nan 8.290 nan 0.000 0.527 156 P HA 0.541 nan 4.420 nan 0.000 0.278 156 P C -0.687 176.831 177.300 0.362 0.000 1.238 156 P CA -0.341 63.004 63.100 0.408 0.000 0.794 156 P CB 2.030 34.013 31.700 0.473 0.000 0.955 157 V N 3.473 123.610 119.914 0.371 0.000 2.789 157 V HA 0.348 4.477 4.120 0.015 0.000 0.311 157 V C -0.145 176.119 176.094 0.283 0.000 1.073 157 V CA -0.823 61.661 62.300 0.306 0.000 0.921 157 V CB 2.113 34.135 31.823 0.332 0.000 1.009 157 V HN 0.408 nan 8.190 nan 0.000 0.426 158 L N 5.000 126.299 121.223 0.126 0.000 2.305 158 L HA 0.704 5.053 4.340 0.015 0.000 0.284 158 L C -1.054 175.784 176.870 -0.054 0.000 1.013 158 L CA -0.219 54.670 54.840 0.082 0.000 0.819 158 L CB 1.329 43.392 42.059 0.008 0.000 1.227 158 L HN 0.630 nan 8.230 nan 0.000 0.417 159 L N 5.364 126.594 121.223 0.011 0.000 2.298 159 L HA 0.508 4.857 4.340 0.015 0.000 0.284 159 L C -0.888 175.957 176.870 -0.041 0.000 1.013 159 L CA -0.043 54.766 54.840 -0.052 0.000 0.824 159 L CB 1.184 43.264 42.059 0.034 0.000 1.221 159 L HN 0.621 nan 8.230 nan 0.000 0.418 160 D N 5.619 125.951 120.400 -0.113 0.000 2.274 160 D HA 0.303 4.952 4.640 0.015 0.000 0.239 160 D C -1.149 175.109 176.300 -0.069 0.000 1.104 160 D CA -0.155 53.773 54.000 -0.120 0.000 0.840 160 D CB 1.089 41.756 40.800 -0.221 0.000 1.100 160 D HN 0.519 nan 8.370 nan 0.000 0.477 161 L N 5.957 127.165 121.223 -0.026 0.000 2.366 161 L HA 0.336 4.685 4.340 0.015 0.000 0.266 161 L C -2.237 174.661 176.870 0.046 0.000 1.010 161 L CA -1.845 53.006 54.840 0.018 0.000 0.879 161 L CB 1.859 43.942 42.059 0.041 0.000 1.228 161 L HN 0.169 nan 8.230 nan 0.000 0.439 162 P HA -0.129 nan 4.420 nan 0.000 0.266 162 P C 0.092 177.517 177.300 0.209 0.000 1.193 162 P CA -0.052 63.111 63.100 0.106 0.000 0.770 162 P CB 0.615 32.353 31.700 0.063 0.000 0.836 163 W N 3.930 125.260 121.300 0.051 0.000 2.338 163 W HA -0.188 4.481 4.660 0.015 0.000 0.304 163 W C 1.434 177.942 176.519 -0.019 0.000 1.212 163 W CA 2.392 59.746 57.345 0.015 0.000 1.264 163 W CB -0.970 28.455 29.460 -0.058 0.000 1.142 163 W HN 0.450 nan 8.180 nan 0.000 0.512 164 D N -0.279 120.206 120.400 0.141 0.000 2.144 164 D HA -0.210 4.439 4.640 0.015 0.000 0.200 164 D C 2.038 178.355 176.300 0.029 0.000 0.978 164 D CA 1.366 55.360 54.000 -0.010 0.000 0.833 164 D CB -1.120 39.646 40.800 -0.057 0.000 0.961 164 D HN 0.099 nan 8.370 nan 0.000 0.470 165 I N 0.739 121.344 120.570 0.059 0.000 2.208 165 I HA -0.184 3.995 4.170 0.015 0.000 0.245 165 I C 2.562 178.718 176.117 0.066 0.000 1.097 165 I CA 0.745 62.071 61.300 0.043 0.000 1.363 165 I CB -0.805 37.218 38.000 0.039 0.000 1.051 165 I HN 0.105 nan 8.210 nan 0.000 0.413 166 L N -0.890 120.404 121.223 0.119 0.000 2.131 166 L HA -0.110 4.238 4.340 0.015 0.000 0.206 166 L C 2.554 179.499 176.870 0.125 0.000 1.087 166 L CA 0.993 55.911 54.840 0.131 0.000 0.767 166 L CB -0.326 41.837 42.059 0.174 0.000 0.917 166 L HN 0.175 nan 8.230 nan 0.000 0.441 167 M N -0.967 118.709 119.600 0.126 0.000 2.388 167 M HA -0.017 4.472 4.480 0.015 0.000 0.265 167 M C 0.265 176.577 176.300 0.019 0.000 1.088 167 M CA 0.209 55.551 55.300 0.070 0.000 1.134 167 M CB -0.144 32.448 32.600 -0.012 0.000 1.384 167 M HN 0.177 nan 8.290 nan 0.000 0.447 168 N N 2.696 121.401 118.700 0.008 0.000 2.356 168 N HA -0.012 4.736 4.740 0.015 0.000 0.252 168 N C -0.513 175.001 175.510 0.006 0.000 1.241 168 N CA 0.705 53.751 53.050 -0.007 0.000 0.861 168 N CB 0.401 38.882 38.487 -0.010 0.000 1.075 168 N HN 0.322 nan 8.380 nan 0.000 0.461 169 Q N 1.222 121.022 119.800 -0.000 0.000 2.274 169 Q HA 0.617 4.966 4.340 0.015 0.000 0.260 169 Q C -0.417 175.586 176.000 0.004 0.000 0.974 169 Q CA -0.835 54.973 55.803 0.008 0.000 0.876 169 Q CB 1.681 30.423 28.738 0.007 0.000 1.297 169 Q HN 0.560 nan 8.270 nan 0.000 0.446 170 I N -2.447 118.129 120.570 0.010 0.000 2.828 170 I HA 0.387 4.566 4.170 0.015 0.000 0.302 170 I C -0.597 175.528 176.117 0.013 0.000 1.101 170 I CA -1.119 60.187 61.300 0.009 0.000 1.031 170 I CB 1.535 39.540 38.000 0.008 0.000 1.231 170 I HN 0.311 nan 8.210 nan 0.000 0.427 171 D N 3.580 123.987 120.400 0.012 0.000 2.434 171 D HA -0.029 4.620 4.640 0.015 0.000 0.252 171 D C 1.222 177.533 176.300 0.018 0.000 1.185 171 D CA 0.469 54.477 54.000 0.014 0.000 0.886 171 D CB 1.032 41.839 40.800 0.012 0.000 1.148 171 D HN 0.861 nan 8.370 nan 0.000 0.483 172 E N 2.705 122.917 120.200 0.021 0.000 2.209 172 E HA -0.243 4.116 4.350 0.015 0.000 0.196 172 E C 0.386 176.999 176.600 0.023 0.000 0.993 172 E CA 1.020 57.435 56.400 0.025 0.000 0.819 172 E CB 0.044 29.761 29.700 0.029 0.000 0.745 172 E HN 0.385 nan 8.360 nan 0.000 0.477 173 D N 0.972 121.384 120.400 0.019 0.000 2.371 173 D HA -0.062 4.587 4.640 0.015 0.000 0.221 173 D C 1.733 178.044 176.300 0.018 0.000 0.986 173 D CA 1.212 55.223 54.000 0.018 0.000 0.899 173 D CB 0.196 41.005 40.800 0.015 0.000 0.902 173 D HN 0.357 nan 8.370 nan 0.000 0.530 174 S N -0.768 114.944 115.700 0.019 0.000 2.548 174 S HA 0.121 4.600 4.470 0.015 0.000 0.215 174 S C 0.603 175.219 174.600 0.027 0.000 0.976 174 S CA -0.339 57.874 58.200 0.021 0.000 0.908 174 S CB 0.469 63.680 63.200 0.018 0.000 0.781 174 S HN -0.105 nan 8.310 nan 0.000 0.519 175 V N 2.793 122.724 119.914 0.028 0.000 2.577 175 V HA 0.531 4.660 4.120 0.015 0.000 0.303 175 V C -0.366 175.746 176.094 0.030 0.000 1.042 175 V CA -1.155 61.165 62.300 0.035 0.000 0.872 175 V CB 1.486 33.332 31.823 0.039 0.000 0.998 175 V HN 0.532 nan 8.190 nan 0.000 0.423 176 I N 4.754 125.342 120.570 0.030 0.000 2.472 176 I HA 0.509 4.688 4.170 0.015 0.000 0.290 176 I C -0.403 175.728 176.117 0.023 0.000 1.016 176 I CA 0.282 61.596 61.300 0.023 0.000 1.348 176 I CB 0.773 38.784 38.000 0.019 0.000 1.417 176 I HN 0.396 nan 8.210 nan 0.000 0.521 177 I N 8.429 129.009 120.570 0.018 0.000 2.301 177 I HA 0.368 4.547 4.170 0.015 0.000 0.292 177 I C -2.049 174.074 176.117 0.010 0.000 1.046 177 I CA -2.223 59.085 61.300 0.014 0.000 1.282 177 I CB -0.012 37.991 38.000 0.005 0.000 1.409 177 I HN 0.530 nan 8.210 nan 0.000 0.484 178 P HA 0.180 nan 4.420 nan 0.000 0.274 178 P C -0.340 176.961 177.300 0.002 0.000 1.237 178 P CA -0.367 62.737 63.100 0.006 0.000 0.793 178 P CB 1.282 32.985 31.700 0.006 0.000 0.977 179 D N 0.318 120.717 120.400 -0.001 0.000 2.358 179 D HA 0.125 4.774 4.640 0.015 0.000 0.244 179 D C -0.038 176.259 176.300 -0.004 0.000 1.163 179 D CA -0.057 53.941 54.000 -0.003 0.000 0.945 179 D CB 0.638 41.435 40.800 -0.004 0.000 1.152 179 D HN 0.182 nan 8.370 nan 0.000 0.451 180 L N 2.159 123.379 121.223 -0.006 0.000 2.363 180 L HA 0.147 4.496 4.340 0.015 0.000 0.286 180 L C -0.860 176.003 176.870 -0.012 0.000 1.106 180 L CA -0.120 54.715 54.840 -0.007 0.000 0.859 180 L CB 0.281 42.337 42.059 -0.005 0.000 1.223 180 L HN 0.019 nan 8.230 nan 0.000 0.446 181 V N 7.038 126.944 119.914 -0.013 0.000 2.275 181 V HA 0.484 4.613 4.120 0.015 0.000 0.272 181 V C -0.537 175.546 176.094 -0.017 0.000 1.028 181 V CA -0.467 61.825 62.300 -0.014 0.000 0.810 181 V CB 0.922 32.739 31.823 -0.011 0.000 1.043 181 V HN 0.620 nan 8.190 nan 0.000 0.453 182 L N 3.995 125.205 121.223 -0.021 0.000 2.639 182 L HA 0.536 4.885 4.340 0.015 0.000 0.264 182 L C -0.074 176.775 176.870 -0.035 0.000 0.948 182 L CA 0.144 54.970 54.840 -0.023 0.000 0.912 182 L CB 2.217 44.262 42.059 -0.023 0.000 1.294 182 L HN 0.479 nan 8.230 nan 0.000 0.412 183 S N 3.195 118.880 115.700 -0.025 0.000 2.552 183 S HA 0.399 4.878 4.470 0.015 0.000 0.289 183 S C 1.459 175.992 174.600 -0.111 0.000 1.304 183 S CA 0.375 58.548 58.200 -0.045 0.000 1.063 183 S CB 1.009 64.230 63.200 0.035 0.000 0.848 183 S HN 0.998 nan 8.310 nan 0.000 0.499 184 A N 4.878 127.539 122.820 -0.265 0.000 2.168 184 A HA 0.090 4.419 4.320 0.015 0.000 0.215 184 A C 0.652 178.067 177.584 -0.281 0.000 1.152 184 A CA 0.561 52.422 52.037 -0.293 0.000 0.716 184 A CB -0.376 18.408 19.000 -0.360 0.000 0.794 184 A HN 0.917 nan 8.150 nan 0.000 0.465 185 H N 0.103 119.167 119.070 -0.010 0.000 2.562 185 H HA 0.427 4.992 4.556 0.015 0.000 0.314 185 H C 0.686 176.005 175.328 -0.014 0.000 1.079 185 H CA -0.121 55.919 56.048 -0.013 0.000 1.349 185 H CB 0.835 30.589 29.762 -0.013 0.000 1.432 185 H HN 0.227 nan 8.280 nan 0.000 0.479 186 G N 1.186 110.039 108.800 0.088 0.000 2.539 186 G HA2 0.396 4.365 3.960 0.015 0.000 0.258 186 G HA3 0.396 4.365 3.960 0.015 0.000 0.258 186 G C 0.022 174.944 174.900 0.037 0.000 1.202 186 G CA -0.327 44.797 45.100 0.041 0.000 0.851 186 G HN 0.790 nan 8.290 nan 0.000 0.556 187 A N 0.930 123.761 122.820 0.019 0.000 2.445 187 A HA 0.554 4.883 4.320 0.015 0.000 0.242 187 A C 0.909 178.491 177.584 -0.002 0.000 1.075 187 A CA -0.115 51.927 52.037 0.009 0.000 0.777 187 A CB 0.184 19.187 19.000 0.005 0.000 1.013 187 A HN 0.932 nan 8.150 nan 0.000 0.493 188 R N 1.516 122.010 120.500 -0.009 0.000 2.828 188 R HA 0.720 5.069 4.340 0.015 0.000 0.264 188 R C -2.967 173.322 176.300 -0.018 0.000 1.022 188 R CA -1.903 54.185 56.100 -0.020 0.000 1.021 188 R CB -0.030 30.252 30.300 -0.030 0.000 1.163 188 R HN 0.380 nan 8.270 nan 0.000 0.494 189 P HA -0.039 nan 4.420 nan 0.000 0.269 189 P C -0.806 176.487 177.300 -0.011 0.000 1.215 189 P CA -0.157 62.934 63.100 -0.015 0.000 0.780 189 P CB 0.410 32.100 31.700 -0.018 0.000 0.898 190 D N 2.721 123.119 120.400 -0.005 0.000 2.525 190 D HA -0.053 4.596 4.640 0.015 0.000 0.235 190 D C -1.197 175.103 176.300 -0.001 0.000 1.137 190 D CA -1.047 52.952 54.000 -0.002 0.000 0.868 190 D CB 0.699 41.500 40.800 0.002 0.000 1.180 190 D HN 0.160 nan 8.370 nan 0.000 0.465 191 P HA -0.142 nan 4.420 nan 0.000 0.219 191 P C 0.952 178.258 177.300 0.010 0.000 1.146 191 P CA 1.104 64.206 63.100 0.004 0.000 0.808 191 P CB 0.049 31.751 31.700 0.004 0.000 0.779 192 A N 0.505 123.331 122.820 0.009 0.000 1.902 192 A HA -0.207 4.122 4.320 0.015 0.000 0.217 192 A C 2.068 179.662 177.584 0.017 0.000 1.181 192 A CA 2.015 54.060 52.037 0.012 0.000 0.623 192 A CB -1.263 17.743 19.000 0.010 0.000 0.818 192 A HN 0.084 nan 8.150 nan 0.000 0.443 193 D N -0.464 119.945 120.400 0.015 0.000 2.117 193 D HA -0.114 4.535 4.640 0.015 0.000 0.197 193 D C 1.874 178.188 176.300 0.023 0.000 0.987 193 D CA 1.132 55.143 54.000 0.018 0.000 0.829 193 D CB -0.409 40.399 40.800 0.013 0.000 0.961 193 D HN 0.317 nan 8.370 nan 0.000 0.460 194 L N 1.213 122.446 121.223 0.016 0.000 2.017 194 L HA -0.181 4.168 4.340 0.015 0.000 0.208 194 L C 1.622 178.522 176.870 0.050 0.000 1.073 194 L CA 1.696 56.548 54.840 0.020 0.000 0.745 194 L CB -0.347 41.713 42.059 0.002 0.000 0.894 194 L HN -0.146 nan 8.230 nan 0.000 0.432 195 D N -0.996 119.431 120.400 0.045 0.000 2.116 195 D HA -0.279 4.370 4.640 0.015 0.000 0.193 195 D C 2.060 178.395 176.300 0.058 0.000 0.998 195 D CA 1.503 55.535 54.000 0.053 0.000 0.836 195 D CB -0.150 40.669 40.800 0.033 0.000 0.951 195 D HN 0.502 nan 8.370 nan 0.000 0.449 196 Q N 0.173 120.001 119.800 0.047 0.000 2.084 196 Q HA -0.153 4.196 4.340 0.015 0.000 0.202 196 Q C 2.042 178.083 176.000 0.069 0.000 0.978 196 Q CA 1.705 57.536 55.803 0.047 0.000 0.844 196 Q CB -0.097 28.662 28.738 0.036 0.000 0.898 196 Q HN 0.218 nan 8.270 nan 0.000 0.426 197 A N 0.757 123.624 122.820 0.078 0.000 1.877 197 A HA -0.164 4.164 4.320 0.015 0.000 0.216 197 A C 2.049 179.734 177.584 0.167 0.000 1.186 197 A CA 1.392 53.491 52.037 0.103 0.000 0.620 197 A CB -0.712 18.338 19.000 0.083 0.000 0.822 197 A HN 0.460 nan 8.150 nan 0.000 0.443 198 L N -0.950 120.392 121.223 0.198 0.000 2.109 198 L HA -0.117 4.232 4.340 0.015 0.000 0.207 198 L C 3.062 180.081 176.870 0.248 0.000 1.086 198 L CA 0.816 55.864 54.840 0.346 0.000 0.760 198 L CB -0.518 41.770 42.059 0.382 0.000 0.910 198 L HN 0.427 nan 8.230 nan 0.000 0.437 199 A N 0.363 123.253 122.820 0.117 0.000 1.902 199 A HA -0.174 4.154 4.320 0.015 0.000 0.217 199 A C 2.260 179.879 177.584 0.058 0.000 1.181 199 A CA 1.492 53.554 52.037 0.041 0.000 0.623 199 A CB -0.685 18.327 19.000 0.021 0.000 0.818 199 A HN 0.347 nan 8.150 nan 0.000 0.443 200 L N -1.327 119.949 121.223 0.089 0.000 2.056 200 L HA -0.154 4.195 4.340 0.015 0.000 0.207 200 L C 2.545 179.489 176.870 0.124 0.000 1.078 200 L CA 1.104 55.995 54.840 0.085 0.000 0.749 200 L CB -0.516 41.591 42.059 0.080 0.000 0.901 200 L HN 0.423 nan 8.230 nan 0.000 0.433 201 L N 0.129 121.476 121.223 0.207 0.000 2.079 201 L HA -0.217 4.132 4.340 0.015 0.000 0.210 201 L C 2.735 179.826 176.870 0.368 0.000 1.081 201 L CA 1.660 56.674 54.840 0.290 0.000 0.752 201 L CB -0.486 41.802 42.059 0.383 0.000 0.896 201 L HN 0.133 nan 8.230 nan 0.000 0.433 202 R N -1.223 119.456 120.500 0.299 0.000 2.090 202 R HA -0.117 4.232 4.340 0.015 0.000 0.228 202 R C 2.149 178.467 176.300 0.029 0.000 1.110 202 R CA 1.270 57.412 56.100 0.070 0.000 0.973 202 R CB 0.027 30.106 30.300 -0.368 0.000 0.869 202 R HN 0.145 nan 8.270 nan 0.000 0.440 203 K N 0.021 120.435 120.400 0.023 0.000 2.296 203 K HA 0.254 4.583 4.320 0.015 0.000 0.200 203 K C 0.736 177.338 176.600 0.004 0.000 1.048 203 K CA 0.567 56.854 56.287 0.000 0.000 0.966 203 K CB -0.077 32.420 32.500 -0.005 0.000 0.754 203 K HN 0.460 nan 8.250 nan 0.000 0.466 204 A N 1.680 124.515 122.820 0.025 0.000 2.483 204 A HA 0.079 4.408 4.320 0.015 0.000 0.238 204 A C 1.060 178.607 177.584 -0.060 0.000 1.070 204 A CA 0.033 52.061 52.037 -0.015 0.000 0.770 204 A CB 0.101 19.104 19.000 0.004 0.000 1.008 204 A HN 0.467 nan 8.150 nan 0.000 0.497 205 E N 0.802 120.922 120.200 -0.132 0.000 2.190 205 E HA -0.010 4.349 4.350 0.015 0.000 0.191 205 E C 0.175 176.518 176.600 -0.429 0.000 0.978 205 E CA 0.660 56.943 56.400 -0.195 0.000 0.839 205 E CB 0.169 29.765 29.700 -0.172 0.000 0.787 205 E HN 0.652 nan 8.360 nan 0.000 0.473 206 R N 1.257 121.400 120.500 -0.595 0.000 2.653 206 R HA 0.220 4.569 4.340 0.015 0.000 0.269 206 R C -2.660 173.292 176.300 -0.581 0.000 1.603 206 R CA -1.358 53.939 56.100 -1.338 0.000 1.671 206 R CB 1.319 30.660 30.300 -1.597 0.000 1.300 206 R HN 0.051 nan 8.270 nan 0.000 0.668 207 P HA 0.140 nan 4.420 nan 0.000 0.278 207 P C -0.225 177.327 177.300 0.420 0.000 1.238 207 P CA -0.280 62.902 63.100 0.138 0.000 0.794 207 P CB 1.717 33.498 31.700 0.134 0.000 0.955 208 V N 0.861 120.952 119.914 0.295 0.000 3.040 208 V HA 0.648 4.777 4.120 0.015 0.000 0.312 208 V C -0.517 175.693 176.094 0.192 0.000 1.115 208 V CA -1.184 61.305 62.300 0.315 0.000 0.998 208 V CB 1.959 33.951 31.823 0.283 0.000 1.042 208 V HN 0.302 nan 8.190 nan 0.000 0.433 209 I N 2.282 122.975 120.570 0.204 0.000 2.493 209 I HA 0.679 4.858 4.170 0.015 0.000 0.298 209 I C -0.817 175.396 176.117 0.160 0.000 0.998 209 I CA -0.986 60.403 61.300 0.148 0.000 1.137 209 I CB 2.151 40.230 38.000 0.131 0.000 1.310 209 I HN 0.482 nan 8.210 nan 0.000 0.445 210 V N 6.722 126.684 119.914 0.080 0.000 2.443 210 V HA 0.403 4.532 4.120 0.015 0.000 0.293 210 V C -0.086 176.017 176.094 0.014 0.000 1.021 210 V CA -0.581 61.749 62.300 0.051 0.000 0.848 210 V CB 1.591 33.389 31.823 -0.041 0.000 0.998 210 V HN 0.470 nan 8.190 nan 0.000 0.424 211 L N 4.023 125.261 121.223 0.025 0.000 2.334 211 L HA 0.825 5.174 4.340 0.015 0.000 0.277 211 L C 0.936 177.793 176.870 -0.021 0.000 1.075 211 L CA 0.012 54.854 54.840 0.004 0.000 0.804 211 L CB 1.317 43.385 42.059 0.015 0.000 1.174 211 L HN 0.760 nan 8.230 nan 0.000 0.438 212 G N -0.320 108.458 108.800 -0.037 0.000 3.175 212 G HA2 0.344 4.313 3.960 0.015 0.000 0.255 212 G HA3 0.344 4.313 3.960 0.015 0.000 0.255 212 G C 0.694 175.565 174.900 -0.049 0.000 1.352 212 G CA 0.262 45.328 45.100 -0.055 0.000 1.037 212 G HN 0.630 nan 8.290 nan 0.000 0.556 213 S N -0.692 114.965 115.700 -0.071 0.000 2.383 213 S HA -0.124 4.355 4.470 0.015 0.000 0.229 213 S C 1.627 176.196 174.600 -0.052 0.000 1.030 213 S CA 1.783 59.944 58.200 -0.065 0.000 1.002 213 S CB -0.243 62.897 63.200 -0.099 0.000 0.829 213 S HN 0.501 nan 8.310 nan 0.000 0.467 214 E N 1.870 122.038 120.200 -0.053 0.000 2.209 214 E HA -0.036 4.323 4.350 0.015 0.000 0.196 214 E C 2.324 178.906 176.600 -0.030 0.000 0.993 214 E CA 1.101 57.476 56.400 -0.041 0.000 0.819 214 E CB -0.615 29.061 29.700 -0.040 0.000 0.745 214 E HN 0.732 nan 8.360 nan 0.000 0.477 215 A N 0.638 123.442 122.820 -0.027 0.000 1.930 215 A HA -0.126 4.203 4.320 0.015 0.000 0.217 215 A C 2.394 179.970 177.584 -0.015 0.000 1.175 215 A CA 1.678 53.704 52.037 -0.017 0.000 0.627 215 A CB -0.400 18.594 19.000 -0.010 0.000 0.815 215 A HN 0.220 nan 8.150 nan 0.000 0.443 216 S N -0.956 114.734 115.700 -0.017 0.000 2.387 216 S HA -0.111 4.368 4.470 0.015 0.000 0.226 216 S C 2.200 176.787 174.600 -0.023 0.000 1.026 216 S CA 0.818 59.008 58.200 -0.016 0.000 0.972 216 S CB -0.309 62.882 63.200 -0.016 0.000 0.814 216 S HN 0.526 nan 8.310 nan 0.000 0.477 217 R N 0.879 121.364 120.500 -0.026 0.000 2.096 217 R HA -0.026 4.323 4.340 0.015 0.000 0.235 217 R C 2.436 178.722 176.300 -0.022 0.000 1.127 217 R CA 1.866 57.951 56.100 -0.025 0.000 0.968 217 R CB -1.676 28.610 30.300 -0.023 0.000 0.861 217 R HN 0.703 nan 8.270 nan 0.000 0.440 218 T N -2.612 111.930 114.554 -0.019 0.000 3.037 218 T HA 0.357 4.716 4.350 0.015 0.000 0.251 218 T C 0.972 175.664 174.700 -0.014 0.000 1.079 218 T CA 0.457 62.547 62.100 -0.017 0.000 1.067 218 T CB 0.222 69.082 68.868 -0.013 0.000 0.948 218 T HN 0.270 nan 8.240 nan 0.000 0.496 219 A N 2.148 124.960 122.820 -0.014 0.000 2.687 219 A HA -0.171 4.158 4.320 0.015 0.000 0.299 219 A C 0.724 178.304 177.584 -0.006 0.000 1.497 219 A CA 0.352 52.382 52.037 -0.012 0.000 0.751 219 A CB -1.907 17.083 19.000 -0.017 0.000 1.048 219 A HN 0.500 nan 8.150 nan 0.000 0.464 220 R N -0.022 120.476 120.500 -0.003 0.000 4.164 220 R HA 0.130 4.479 4.340 0.015 0.000 0.195 220 R C 1.164 177.467 176.300 0.005 0.000 1.712 220 R CA 0.213 56.314 56.100 0.002 0.000 1.457 220 R CB -0.099 30.200 30.300 -0.001 0.000 1.387 220 R HN 0.718 nan 8.270 nan 0.000 0.785 221 K N -0.050 120.352 120.400 0.003 0.000 2.057 221 K HA -0.071 4.258 4.320 0.015 0.000 0.206 221 K C 1.547 178.151 176.600 0.007 0.000 1.050 221 K CA 1.462 57.751 56.287 0.003 0.000 0.935 221 K CB 0.214 32.713 32.500 -0.003 0.000 0.715 221 K HN 0.175 nan 8.250 nan 0.000 0.439 222 T N 1.173 115.731 114.554 0.007 0.000 2.708 222 T HA -0.152 4.207 4.350 0.015 0.000 0.266 222 T C 2.004 176.714 174.700 0.017 0.000 1.037 222 T CA 1.455 63.561 62.100 0.009 0.000 1.146 222 T CB -0.253 68.620 68.868 0.008 0.000 0.865 222 T HN 0.318 nan 8.240 nan 0.000 0.435 223 A N 1.279 124.110 122.820 0.018 0.000 1.877 223 A HA -0.020 4.309 4.320 0.015 0.000 0.216 223 A C 2.253 179.872 177.584 0.057 0.000 1.186 223 A CA 1.348 53.399 52.037 0.023 0.000 0.620 223 A CB -0.890 18.110 19.000 -0.000 0.000 0.822 223 A HN 0.398 nan 8.150 nan 0.000 0.443 224 L N 0.046 121.302 121.223 0.054 0.000 2.012 224 L HA -0.141 4.208 4.340 0.015 0.000 0.210 224 L C 2.542 179.461 176.870 0.081 0.000 1.073 224 L CA 2.611 57.508 54.840 0.096 0.000 0.748 224 L CB -0.732 41.361 42.059 0.058 0.000 0.891 224 L HN 0.300 nan 8.230 nan 0.000 0.431 225 S N -0.384 115.335 115.700 0.032 0.000 2.370 225 S HA -0.184 4.295 4.470 0.015 0.000 0.226 225 S C 2.072 176.673 174.600 0.002 0.000 1.033 225 S CA 1.178 59.379 58.200 0.002 0.000 1.011 225 S CB -0.615 62.581 63.200 -0.007 0.000 0.852 225 S HN 0.693 nan 8.310 nan 0.000 0.457 226 A N 0.813 123.652 122.820 0.031 0.000 1.877 226 A HA -0.071 4.258 4.320 0.015 0.000 0.216 226 A C 1.921 179.535 177.584 0.050 0.000 1.186 226 A CA 1.425 53.481 52.037 0.032 0.000 0.620 226 A CB -0.958 18.067 19.000 0.043 0.000 0.822 226 A HN 0.562 nan 8.150 nan 0.000 0.443 227 F N 0.518 120.411 119.950 -0.095 0.000 2.095 227 F HA -0.189 4.347 4.527 0.015 0.000 0.298 227 F C 2.164 177.849 175.800 -0.192 0.000 1.104 227 F CA 1.838 59.750 58.000 -0.147 0.000 1.232 227 F CB 0.023 38.953 39.000 -0.118 0.000 0.987 227 F HN 0.060 nan 8.300 nan 0.000 0.475 228 V N 0.427 120.183 119.914 -0.264 0.000 2.427 228 V HA -0.262 3.867 4.120 0.015 0.000 0.248 228 V C 2.635 178.557 176.094 -0.288 0.000 1.051 228 V CA 1.606 63.681 62.300 -0.374 0.000 1.048 228 V CB -1.225 30.478 31.823 -0.200 0.000 0.666 228 V HN 0.494 nan 8.190 nan 0.000 0.456 229 A N -0.053 122.661 122.820 -0.177 0.000 1.930 229 A HA -0.010 4.319 4.320 0.015 0.000 0.217 229 A C 2.385 179.882 177.584 -0.145 0.000 1.175 229 A CA 1.793 53.754 52.037 -0.126 0.000 0.627 229 A CB -0.589 18.369 19.000 -0.069 0.000 0.815 229 A HN 0.536 nan 8.150 nan 0.000 0.443 230 A N -0.463 122.241 122.820 -0.194 0.000 1.929 230 A HA -0.032 4.297 4.320 0.015 0.000 0.216 230 A C 2.371 179.705 177.584 -0.417 0.000 1.176 230 A CA 2.334 54.246 52.037 -0.208 0.000 0.628 230 A CB -0.922 17.980 19.000 -0.165 0.000 0.816 230 A HN 0.726 nan 8.150 nan 0.000 0.444 231 T N -5.108 109.043 114.554 -0.672 0.000 3.040 231 T HA 0.384 4.743 4.350 0.015 0.000 0.252 231 T C 1.477 175.980 174.700 -0.327 0.000 1.064 231 T CA 1.170 62.774 62.100 -0.828 0.000 1.110 231 T CB -0.089 68.016 68.868 -1.273 0.000 0.921 231 T HN 1.682 nan 8.240 nan 0.000 0.480 232 G N 1.185 109.824 108.800 -0.268 0.000 2.179 232 G HA2 -0.211 3.758 3.960 0.015 0.000 0.257 232 G HA3 -0.211 3.758 3.960 0.015 0.000 0.257 232 G C 0.030 174.875 174.900 -0.092 0.000 1.010 232 G CA 0.171 45.194 45.100 -0.128 0.000 0.736 232 G HN 0.745 nan 8.290 nan 0.000 0.513 233 V N 2.468 122.271 119.914 -0.184 0.000 2.461 233 V HA 0.430 4.559 4.120 0.015 0.000 0.275 233 V C -1.125 174.922 176.094 -0.078 0.000 1.047 233 V CA -1.426 60.830 62.300 -0.072 0.000 0.955 233 V CB 1.489 33.232 31.823 -0.134 0.000 0.988 233 V HN 0.237 nan 8.190 nan 0.000 0.471 234 P HA 0.223 nan 4.420 nan 0.000 0.271 234 P C -0.931 176.327 177.300 -0.071 0.000 1.218 234 P CA -0.064 62.962 63.100 -0.124 0.000 0.780 234 P CB 1.112 32.684 31.700 -0.213 0.000 0.901 235 V N 3.546 123.331 119.914 -0.214 0.000 2.448 235 V HA 0.436 4.565 4.120 0.015 0.000 0.295 235 V C 0.010 175.932 176.094 -0.288 0.000 1.025 235 V CA -0.342 61.890 62.300 -0.113 0.000 0.859 235 V CB 0.776 32.550 31.823 -0.082 0.000 0.988 235 V HN 0.392 nan 8.190 nan 0.000 0.431 236 F N 1.901 121.815 119.950 -0.061 0.000 2.572 236 F HA 0.937 5.472 4.527 0.015 0.000 0.342 236 F C 0.455 176.221 175.800 -0.058 0.000 1.064 236 F CA -0.644 57.315 58.000 -0.069 0.000 1.008 236 F CB 2.013 40.955 39.000 -0.097 0.000 1.303 236 F HN 0.635 nan 8.300 nan 0.000 0.492 237 A N 0.440 123.348 122.820 0.147 0.000 2.589 237 A HA 0.546 4.875 4.320 0.015 0.000 0.296 237 A C -1.588 176.007 177.584 0.018 0.000 1.062 237 A CA -0.903 51.168 52.037 0.056 0.000 0.686 237 A CB 1.006 20.031 19.000 0.041 0.000 1.282 237 A HN 0.690 nan 8.150 nan 0.000 0.404 238 D N 0.205 120.583 120.400 -0.036 0.000 2.380 238 D HA 0.185 4.833 4.640 0.015 0.000 0.254 238 D C 0.759 177.057 176.300 -0.003 0.000 1.288 238 D CA -0.027 53.899 54.000 -0.124 0.000 1.008 238 D CB -0.041 40.663 40.800 -0.161 0.000 1.099 238 D HN 0.447 nan 8.370 nan 0.000 0.537 239 Y N -1.107 119.271 120.300 0.130 0.000 2.114 239 Y HA -0.129 4.430 4.550 0.015 0.000 0.282 239 Y C 2.461 178.471 175.900 0.184 0.000 1.165 239 Y CA 1.694 59.947 58.100 0.255 0.000 1.148 239 Y CB -0.932 37.655 38.460 0.211 0.000 0.972 239 Y HN 0.491 nan 8.280 nan 0.000 0.504 240 E N -0.210 120.102 120.200 0.186 0.000 2.150 240 E HA -0.060 4.299 4.350 0.015 0.000 0.193 240 E C 2.373 179.013 176.600 0.066 0.000 0.985 240 E CA 1.141 57.584 56.400 0.072 0.000 0.814 240 E CB -0.585 29.103 29.700 -0.021 0.000 0.752 240 E HN 0.398 nan 8.360 nan 0.000 0.466 241 G N -0.164 108.672 108.800 0.061 0.000 2.880 241 G HA2 -0.093 3.876 3.960 0.015 0.000 0.209 241 G HA3 -0.093 3.876 3.960 0.015 0.000 0.209 241 G C 1.299 176.238 174.900 0.064 0.000 1.157 241 G CA 0.305 45.430 45.100 0.041 0.000 0.779 241 G HN 0.288 nan 8.290 nan 0.000 0.539 242 L N 2.213 123.509 121.223 0.123 0.000 2.012 242 L HA -0.111 4.238 4.340 0.015 0.000 0.210 242 L C 2.959 179.863 176.870 0.056 0.000 1.073 242 L CA 2.674 57.570 54.840 0.094 0.000 0.748 242 L CB -0.628 41.508 42.059 0.128 0.000 0.891 242 L HN 0.270 nan 8.230 nan 0.000 0.431 243 S N -1.846 113.906 115.700 0.088 0.000 2.474 243 S HA -0.140 4.338 4.470 0.015 0.000 0.235 243 S C 1.802 176.413 174.600 0.018 0.000 0.997 243 S CA 0.876 59.107 58.200 0.051 0.000 0.949 243 S CB -0.575 62.666 63.200 0.067 0.000 0.766 243 S HN 0.414 nan 8.310 nan 0.000 0.517 244 M N 1.051 120.660 119.600 0.017 0.000 2.630 244 M HA 0.232 4.721 4.480 0.015 0.000 0.254 244 M C 1.294 177.587 176.300 -0.011 0.000 1.092 244 M CA 0.721 56.023 55.300 0.003 0.000 1.087 244 M CB -1.042 31.562 32.600 0.006 0.000 1.453 244 M HN 0.429 nan 8.290 nan 0.000 0.509 245 L N -1.763 119.447 121.223 -0.021 0.000 2.607 245 L HA 0.065 4.414 4.340 0.015 0.000 0.228 245 L C 2.003 178.842 176.870 -0.052 0.000 1.123 245 L CA -0.057 54.754 54.840 -0.048 0.000 0.890 245 L CB -0.355 41.660 42.059 -0.072 0.000 1.103 245 L HN 0.117 nan 8.230 nan 0.000 0.468 246 S N 0.666 116.345 115.700 -0.036 0.000 2.428 246 S HA -0.054 4.425 4.470 0.015 0.000 0.230 246 S C 1.857 176.433 174.600 -0.039 0.000 1.014 246 S CA 1.218 59.396 58.200 -0.038 0.000 0.957 246 S CB -0.063 63.123 63.200 -0.024 0.000 0.784 246 S HN 0.590 nan 8.310 nan 0.000 0.499 247 G N 0.556 109.336 108.800 -0.034 0.000 3.141 247 G HA2 0.341 4.310 3.960 0.015 0.000 0.218 247 G HA3 0.341 4.310 3.960 0.015 0.000 0.218 247 G C 0.203 175.078 174.900 -0.041 0.000 1.170 247 G CA -0.240 44.840 45.100 -0.033 0.000 0.769 247 G HN 0.294 nan 8.290 nan 0.000 0.546 248 L N 0.708 121.899 121.223 -0.053 0.000 2.379 248 L HA 0.378 4.727 4.340 0.015 0.000 0.269 248 L C -2.113 174.713 176.870 -0.074 0.000 1.084 248 L CA -2.161 52.639 54.840 -0.066 0.000 0.802 248 L CB 1.346 43.355 42.059 -0.083 0.000 1.175 248 L HN -0.140 nan 8.230 nan 0.000 0.448 249 P HA 0.062 nan 4.420 nan 0.000 0.271 249 P C -0.251 176.992 177.300 -0.094 0.000 1.218 249 P CA -0.300 62.754 63.100 -0.076 0.000 0.780 249 P CB 0.562 32.219 31.700 -0.071 0.000 0.901 250 D N 1.971 122.316 120.400 -0.091 0.000 2.149 250 D HA -0.211 4.438 4.640 0.015 0.000 0.194 250 D C 1.851 178.078 176.300 -0.122 0.000 1.001 250 D CA 2.001 55.938 54.000 -0.105 0.000 0.849 250 D CB -0.674 40.070 40.800 -0.093 0.000 0.939 250 D HN 0.414 nan 8.370 nan 0.000 0.449 251 A N -0.016 122.739 122.820 -0.108 0.000 2.019 251 A HA -0.115 4.213 4.320 0.015 0.000 0.219 251 A C 1.873 179.368 177.584 -0.148 0.000 1.164 251 A CA 1.226 53.194 52.037 -0.114 0.000 0.644 251 A CB -0.270 18.680 19.000 -0.084 0.000 0.805 251 A HN 0.139 nan 8.150 nan 0.000 0.449 252 M N -0.619 118.889 119.600 -0.153 0.000 2.404 252 M HA 0.204 4.693 4.480 0.015 0.000 0.271 252 M C 0.096 176.255 176.300 -0.234 0.000 1.128 252 M CA 0.285 55.475 55.300 -0.183 0.000 0.982 252 M CB 0.493 32.999 32.600 -0.156 0.000 1.445 252 M HN 0.091 nan 8.290 nan 0.000 0.495 253 R N 0.010 120.366 120.500 -0.240 0.000 2.230 253 R HA 0.401 4.750 4.340 0.015 0.000 0.337 253 R C 1.247 177.294 176.300 -0.421 0.000 1.063 253 R CA -0.190 55.741 56.100 -0.282 0.000 0.935 253 R CB 0.502 30.685 30.300 -0.196 0.000 1.121 253 R HN 0.327 nan 8.270 nan 0.000 0.486 254 G N 1.741 110.095 108.800 -0.744 0.000 2.551 254 G HA2 0.169 4.138 3.960 0.015 0.000 0.216 254 G HA3 0.169 4.138 3.960 0.015 0.000 0.216 254 G C 0.811 175.251 174.900 -0.767 0.000 1.137 254 G CA 0.589 44.876 45.100 -1.354 0.000 0.798 254 G HN 0.882 nan 8.290 nan 0.000 0.536 255 G N -0.294 108.241 108.800 -0.441 0.000 2.542 255 G HA2 -0.221 3.748 3.960 0.015 0.000 0.235 255 G HA3 -0.221 3.748 3.960 0.015 0.000 0.235 255 G C -0.032 174.879 174.900 0.018 0.000 1.286 255 G CA -0.321 44.692 45.100 -0.144 0.000 0.904 255 G HN 0.585 nan 8.290 nan 0.000 0.577 256 L N 0.364 121.638 121.223 0.086 0.000 2.456 256 L HA 0.218 4.566 4.340 0.015 0.000 0.272 256 L C 2.193 179.187 176.870 0.208 0.000 1.189 256 L CA 0.362 55.277 54.840 0.124 0.000 0.846 256 L CB 1.182 43.315 42.059 0.124 0.000 1.111 256 L HN 0.629 nan 8.230 nan 0.000 0.475 257 V N 3.660 123.646 119.914 0.120 0.000 2.594 257 V HA -0.269 3.860 4.120 0.015 0.000 0.253 257 V C 2.337 178.406 176.094 -0.043 0.000 1.069 257 V CA 2.167 64.480 62.300 0.022 0.000 1.082 257 V CB -0.484 31.292 31.823 -0.079 0.000 0.680 257 V HN 1.076 nan 8.190 nan 0.000 0.469 258 Q N -0.509 119.295 119.800 0.006 0.000 2.248 258 Q HA -0.311 4.038 4.340 0.015 0.000 0.208 258 Q C 1.702 177.761 176.000 0.098 0.000 0.984 258 Q CA 2.525 58.352 55.803 0.039 0.000 0.875 258 Q CB -0.981 27.790 28.738 0.055 0.000 0.910 258 Q HN 0.775 nan 8.270 nan 0.000 0.433 259 N N 0.536 119.323 118.700 0.144 0.000 2.443 259 N HA -0.025 4.724 4.740 0.015 0.000 0.184 259 N C 1.439 177.081 175.510 0.219 0.000 1.037 259 N CA 0.479 53.676 53.050 0.245 0.000 0.896 259 N CB -0.057 38.645 38.487 0.358 0.000 0.959 259 N HN 0.255 nan 8.380 nan 0.000 0.442 260 L N -0.116 121.020 121.223 -0.146 0.000 2.456 260 L HA -0.161 4.188 4.340 0.015 0.000 0.224 260 L C 1.931 178.797 176.870 -0.005 0.000 1.148 260 L CA 0.513 55.053 54.840 -0.501 0.000 0.825 260 L CB -0.394 41.226 42.059 -0.731 0.000 0.937 260 L HN 0.313 nan 8.230 nan 0.000 0.450 261 Y N 1.227 121.546 120.300 0.032 0.000 2.114 261 Y HA -0.354 4.206 4.550 0.016 0.000 0.282 261 Y C 2.754 178.743 175.900 0.149 0.000 1.165 261 Y CA 1.962 60.102 58.100 0.068 0.000 1.148 261 Y CB -0.073 38.422 38.460 0.057 0.000 0.972 261 Y HN 0.262 nan 8.280 nan 0.000 0.504 262 S N -1.110 114.811 115.700 0.368 0.000 2.593 262 S HA -0.016 4.463 4.470 0.015 0.000 0.217 262 S C 1.578 176.290 174.600 0.187 0.000 0.966 262 S CA -0.010 58.332 58.200 0.236 0.000 0.914 262 S CB -1.200 62.146 63.200 0.243 0.000 0.776 262 S HN 0.454 nan 8.310 nan 0.000 0.523 263 F N 1.986 121.935 119.950 -0.003 0.000 2.163 263 F HA 0.096 4.632 4.527 0.015 0.000 0.297 263 F C 2.869 178.675 175.800 0.011 0.000 1.094 263 F CA 0.716 58.738 58.000 0.036 0.000 1.290 263 F CB -0.440 38.601 39.000 0.069 0.000 1.017 263 F HN 0.346 nan 8.300 nan 0.000 0.483 264 A N 0.676 123.576 122.820 0.133 0.000 1.902 264 A HA -0.224 4.104 4.320 0.015 0.000 0.217 264 A C 2.239 179.832 177.584 0.015 0.000 1.181 264 A CA 2.432 54.496 52.037 0.044 0.000 0.623 264 A CB -1.254 17.731 19.000 -0.026 0.000 0.818 264 A HN 0.299 nan 8.150 nan 0.000 0.443 265 K N -0.673 119.722 120.400 -0.009 0.000 2.211 265 K HA 0.322 4.651 4.320 0.015 0.000 0.203 265 K C 1.898 178.499 176.600 0.000 0.000 1.050 265 K CA 1.630 57.912 56.287 -0.008 0.000 0.945 265 K CB -1.103 31.390 32.500 -0.012 0.000 0.732 265 K HN 0.983 nan 8.250 nan 0.000 0.451 266 A N 0.643 123.462 122.820 -0.002 0.000 2.302 266 A HA 0.347 4.676 4.320 0.015 0.000 0.219 266 A C 0.272 177.857 177.584 0.002 0.000 1.243 266 A CA 0.673 52.698 52.037 -0.020 0.000 0.856 266 A CB -0.339 18.611 19.000 -0.083 0.000 0.893 266 A HN 0.539 nan 8.150 nan 0.000 0.491 267 D N -2.627 117.786 120.400 0.022 0.000 2.772 267 D HA -0.195 4.454 4.640 0.015 0.000 0.233 267 D C 0.504 176.839 176.300 0.058 0.000 1.143 267 D CA 1.223 55.241 54.000 0.031 0.000 0.700 267 D CB -1.255 39.556 40.800 0.018 0.000 1.076 267 D HN 0.637 nan 8.370 nan 0.000 0.430 268 A N -0.989 121.897 122.820 0.111 0.000 2.624 268 A HA 0.643 4.972 4.320 0.015 0.000 0.287 268 A C 0.896 178.711 177.584 0.385 0.000 1.087 268 A CA 0.487 52.657 52.037 0.222 0.000 0.964 268 A CB 0.476 19.596 19.000 0.201 0.000 1.231 268 A HN 0.520 nan 8.150 nan 0.000 0.551 269 A N 1.656 124.619 122.820 0.238 0.000 2.567 269 A HA 0.488 4.817 4.320 0.015 0.000 0.240 269 A C -2.347 175.303 177.584 0.110 0.000 1.053 269 A CA -0.485 51.672 52.037 0.200 0.000 0.755 269 A CB -0.525 18.519 19.000 0.074 0.000 0.978 269 A HN 0.265 nan 8.150 nan 0.000 0.507 270 P HA 0.032 nan 4.420 nan 0.000 0.267 270 P C -0.073 177.192 177.300 -0.058 0.000 1.200 270 P CA 0.234 63.337 63.100 0.004 0.000 0.772 270 P CB 0.564 32.302 31.700 0.063 0.000 0.855 271 D N 1.494 121.825 120.400 -0.115 0.000 2.379 271 D HA 0.120 4.769 4.640 0.015 0.000 0.208 271 D C -0.036 176.246 176.300 -0.032 0.000 1.065 271 D CA 0.339 54.295 54.000 -0.072 0.000 0.848 271 D CB -0.075 40.666 40.800 -0.098 0.000 0.949 271 D HN 0.148 nan 8.370 nan 0.000 0.509 272 L N 0.434 121.646 121.223 -0.018 0.000 2.493 272 L HA 0.491 4.840 4.340 0.015 0.000 0.265 272 L C -1.851 175.045 176.870 0.043 0.000 0.954 272 L CA -0.760 54.094 54.840 0.023 0.000 0.844 272 L CB 2.518 44.599 42.059 0.037 0.000 1.302 272 L HN -0.186 nan 8.230 nan 0.000 0.405 273 V N 5.179 125.120 119.914 0.044 0.000 2.525 273 V HA 0.453 4.582 4.120 0.015 0.000 0.299 273 V C -0.845 175.276 176.094 0.045 0.000 1.034 273 V CA -0.528 61.792 62.300 0.033 0.000 0.863 273 V CB 1.703 33.519 31.823 -0.011 0.000 0.999 273 V HN 0.616 nan 8.190 nan 0.000 0.423 274 L N 6.644 127.905 121.223 0.063 0.000 2.272 274 L HA 0.598 4.946 4.340 0.015 0.000 0.284 274 L C -0.164 176.726 176.870 0.032 0.000 1.045 274 L CA 0.086 54.967 54.840 0.068 0.000 0.842 274 L CB 0.851 42.983 42.059 0.122 0.000 1.224 274 L HN 0.644 nan 8.230 nan 0.000 0.430 275 M N 6.481 126.073 119.600 -0.012 0.000 2.084 275 M HA 0.340 4.829 4.480 0.015 0.000 0.351 275 M C -0.728 175.548 176.300 -0.039 0.000 1.240 275 M CA 0.083 55.344 55.300 -0.064 0.000 1.083 275 M CB 0.801 33.303 32.600 -0.163 0.000 1.593 275 M HN 0.437 nan 8.290 nan 0.000 0.463 276 L N 3.555 124.761 121.223 -0.030 0.000 2.387 276 L HA 0.432 4.781 4.340 0.015 0.000 0.259 276 L C 0.948 177.796 176.870 -0.037 0.000 1.050 276 L CA -0.334 54.492 54.840 -0.023 0.000 0.922 276 L CB 0.768 42.825 42.059 -0.003 0.000 1.280 276 L HN 1.112 nan 8.230 nan 0.000 0.449 277 G N 1.924 110.696 108.800 -0.046 0.000 2.184 277 G HA2 -0.303 3.666 3.960 0.015 0.000 0.264 277 G HA3 -0.303 3.666 3.960 0.015 0.000 0.264 277 G C 0.445 175.301 174.900 -0.074 0.000 0.975 277 G CA 0.172 45.240 45.100 -0.053 0.000 0.642 277 G HN 0.741 nan 8.290 nan 0.000 0.536 278 A N 0.656 123.420 122.820 -0.094 0.000 2.347 278 A HA 0.710 5.038 4.320 0.015 0.000 0.287 278 A C 0.820 178.303 177.584 -0.169 0.000 1.199 278 A CA -0.047 51.913 52.037 -0.127 0.000 0.851 278 A CB 0.207 19.118 19.000 -0.148 0.000 1.118 278 A HN 0.517 nan 8.150 nan 0.000 0.525 279 R N 1.239 121.680 120.500 -0.099 0.000 2.560 279 R HA 0.349 4.698 4.340 0.015 0.000 0.270 279 R C -1.021 175.208 176.300 -0.118 0.000 1.074 279 R CA -0.269 55.802 56.100 -0.048 0.000 1.140 279 R CB 0.614 30.974 30.300 0.101 0.000 1.073 279 R HN 0.656 nan 8.270 nan 0.000 0.527 280 F N 0.883 120.847 119.950 0.024 0.000 2.506 280 F HA 0.297 4.833 4.527 0.014 0.000 0.371 280 F C 1.344 177.129 175.800 -0.024 0.000 1.078 280 F CA 1.311 59.312 58.000 0.001 0.000 1.195 280 F CB 0.933 39.943 39.000 0.017 0.000 1.099 280 F HN 0.677 nan 8.300 nan 0.000 0.548 281 G N 2.148 110.972 108.800 0.039 0.000 2.360 281 G HA2 0.097 4.066 3.960 0.015 0.000 0.276 281 G HA3 0.097 4.066 3.960 0.015 0.000 0.276 281 G C -0.259 174.307 174.900 -0.557 0.000 1.256 281 G CA -0.613 44.363 45.100 -0.208 0.000 0.890 281 G HN 0.529 nan 8.290 nan 0.000 0.486 282 L N 0.801 121.681 121.223 -0.572 0.000 2.021 282 L HA -0.043 4.305 4.340 0.015 0.000 0.215 282 L C 2.172 178.904 176.870 -0.230 0.000 1.074 282 L CA 2.943 57.516 54.840 -0.445 0.000 0.760 282 L CB -0.537 41.479 42.059 -0.072 0.000 0.889 282 L HN 0.555 nan 8.230 nan 0.000 0.433 283 N N -1.391 117.279 118.700 -0.050 0.000 2.463 283 N HA -0.030 4.719 4.740 0.015 0.000 0.181 283 N C 1.111 176.533 175.510 -0.145 0.000 1.078 283 N CA 1.255 54.239 53.050 -0.110 0.000 0.902 283 N CB -0.147 38.253 38.487 -0.146 0.000 0.970 283 N HN 0.605 nan 8.380 nan 0.000 0.451 284 T N -3.682 110.784 114.554 -0.148 0.000 3.129 284 T HA 0.401 4.760 4.350 0.015 0.000 0.267 284 T C 1.125 175.775 174.700 -0.082 0.000 1.018 284 T CA 0.133 62.151 62.100 -0.136 0.000 0.903 284 T CB 0.496 69.254 68.868 -0.183 0.000 1.067 284 T HN 0.185 nan 8.240 nan 0.000 0.549 285 G N 1.639 110.376 108.800 -0.105 0.000 2.137 285 G HA2 -0.263 3.706 3.960 0.015 0.000 0.237 285 G HA3 -0.263 3.706 3.960 0.015 0.000 0.237 285 G C 0.295 175.273 174.900 0.131 0.000 1.002 285 G CA 0.483 45.596 45.100 0.021 0.000 0.702 285 G HN 0.898 nan 8.290 nan 0.000 0.515 286 H N -1.674 117.455 119.070 0.098 0.000 1.452 286 H HA -0.232 4.333 4.556 0.015 0.000 0.090 286 H C 1.953 177.384 175.328 0.170 0.000 0.973 286 H CA 2.515 58.630 56.048 0.112 0.000 1.901 286 H CB -1.247 28.545 29.762 0.050 0.000 2.257 286 H HN 1.182 nan 8.280 nan 0.000 0.961 287 G N -0.668 108.283 108.800 0.251 0.000 3.523 287 G HA2 0.253 4.222 3.960 0.015 0.000 0.270 287 G HA3 0.253 4.222 3.960 0.015 0.000 0.270 287 G C 1.083 176.113 174.900 0.216 0.000 1.134 287 G CA 0.587 45.782 45.100 0.157 0.000 0.825 287 G HN 0.692 nan 8.290 nan 0.000 0.534 288 S N -0.499 115.303 115.700 0.170 0.000 2.428 288 S HA 0.218 4.697 4.470 0.015 0.000 0.230 288 S C 2.129 176.694 174.600 -0.058 0.000 1.014 288 S CA 1.197 59.472 58.200 0.126 0.000 0.957 288 S CB -0.240 63.032 63.200 0.119 0.000 0.784 288 S HN 1.420 nan 8.310 nan 0.000 0.499 289 G N 0.922 109.554 108.800 -0.280 0.000 2.162 289 G HA2 -0.330 3.639 3.960 0.015 0.000 0.260 289 G HA3 -0.330 3.639 3.960 0.015 0.000 0.260 289 G C 0.707 175.436 174.900 -0.285 0.000 0.976 289 G CA 0.580 45.301 45.100 -0.631 0.000 0.655 289 G HN 0.589 nan 8.290 nan 0.000 0.533 290 Q N -0.820 118.902 119.800 -0.130 0.000 2.230 290 Q HA 0.219 4.568 4.340 0.015 0.000 0.202 290 Q C 2.531 178.472 176.000 -0.098 0.000 0.963 290 Q CA 1.268 57.011 55.803 -0.101 0.000 0.866 290 Q CB 0.043 28.794 28.738 0.022 0.000 0.931 290 Q HN 0.693 nan 8.270 nan 0.000 0.452 291 L N -0.716 120.457 121.223 -0.083 0.000 2.519 291 L HA 0.166 4.515 4.340 0.015 0.000 0.194 291 L C 0.477 177.241 176.870 -0.176 0.000 1.072 291 L CA -0.141 54.620 54.840 -0.132 0.000 0.845 291 L CB 0.435 42.427 42.059 -0.111 0.000 1.138 291 L HN 0.088 nan 8.230 nan 0.000 0.487 292 I N 2.482 122.982 120.570 -0.117 0.000 2.269 292 I HA 0.257 4.436 4.170 0.015 0.000 0.293 292 I C -2.291 173.776 176.117 -0.083 0.000 1.106 292 I CA -2.520 58.734 61.300 -0.077 0.000 1.248 292 I CB -0.252 37.764 38.000 0.026 0.000 1.444 292 I HN -0.199 nan 8.210 nan 0.000 0.497 293 P HA 0.073 nan 4.420 nan 0.000 0.268 293 P C 0.898 178.161 177.300 -0.061 0.000 1.205 293 P CA 0.046 63.077 63.100 -0.114 0.000 0.771 293 P CB 0.465 32.135 31.700 -0.051 0.000 0.858 294 H N 0.873 119.954 119.070 0.017 0.000 2.456 294 H HA -0.088 4.477 4.556 0.015 0.000 0.296 294 H C 1.693 177.025 175.328 0.006 0.000 1.079 294 H CA 2.053 58.107 56.048 0.010 0.000 1.322 294 H CB -0.654 29.107 29.762 -0.002 0.000 1.388 294 H HN 0.443 nan 8.280 nan 0.000 0.538 295 S N -0.045 115.720 115.700 0.109 0.000 2.522 295 S HA 0.233 4.711 4.470 0.015 0.000 0.227 295 S C 1.318 175.940 174.600 0.036 0.000 0.986 295 S CA 0.106 58.341 58.200 0.058 0.000 0.929 295 S CB 0.049 63.270 63.200 0.035 0.000 0.769 295 S HN 0.407 nan 8.310 nan 0.000 0.529 296 A N 1.605 124.446 122.820 0.036 0.000 2.371 296 A HA 0.428 4.757 4.320 0.015 0.000 0.257 296 A C 0.217 177.827 177.584 0.045 0.000 1.089 296 A CA -0.578 51.475 52.037 0.026 0.000 0.794 296 A CB 0.253 19.263 19.000 0.016 0.000 1.029 296 A HN 0.489 nan 8.150 nan 0.000 0.488 297 Q N 0.478 120.300 119.800 0.037 0.000 2.286 297 Q HA 0.420 4.769 4.340 0.015 0.000 0.257 297 Q C -0.983 175.055 176.000 0.064 0.000 0.941 297 Q CA -0.248 55.584 55.803 0.049 0.000 0.912 297 Q CB 1.501 30.262 28.738 0.039 0.000 1.192 297 Q HN 0.470 nan 8.270 nan 0.000 0.410 298 V N 4.780 124.746 119.914 0.086 0.000 2.417 298 V HA 0.390 4.519 4.120 0.015 0.000 0.291 298 V C -0.168 175.982 176.094 0.094 0.000 1.024 298 V CA -0.596 61.767 62.300 0.105 0.000 0.861 298 V CB 1.372 33.308 31.823 0.188 0.000 0.985 298 V HN 0.613 nan 8.190 nan 0.000 0.436 299 I N 4.668 125.285 120.570 0.077 0.000 2.321 299 I HA 0.455 4.634 4.170 0.015 0.000 0.291 299 I C 0.008 176.159 176.117 0.058 0.000 0.998 299 I CA -0.046 61.295 61.300 0.069 0.000 1.227 299 I CB 1.223 39.264 38.000 0.068 0.000 1.368 299 I HN 0.608 nan 8.210 nan 0.000 0.466 300 Q N 5.724 125.561 119.800 0.063 0.000 2.331 300 Q HA 0.613 4.962 4.340 0.015 0.000 0.267 300 Q C -1.671 174.348 176.000 0.031 0.000 1.006 300 Q CA -0.690 55.139 55.803 0.044 0.000 0.818 300 Q CB 2.369 31.163 28.738 0.092 0.000 1.276 300 Q HN 0.523 nan 8.270 nan 0.000 0.450 301 V N 4.373 124.292 119.914 0.008 0.000 2.409 301 V HA 0.505 4.634 4.120 0.015 0.000 0.291 301 V C -0.627 175.464 176.094 -0.006 0.000 1.020 301 V CA -0.561 61.740 62.300 0.001 0.000 0.848 301 V CB 1.651 33.467 31.823 -0.011 0.000 0.990 301 V HN 0.808 nan 8.190 nan 0.000 0.430 302 D N 5.594 125.995 120.400 0.001 0.000 2.837 302 D HA 0.346 4.995 4.640 0.015 0.000 0.220 302 D C -2.299 174.002 176.300 0.000 0.000 1.236 302 D CA -1.251 52.747 54.000 -0.003 0.000 0.838 302 D CB 3.875 44.678 40.800 0.006 0.000 1.647 302 D HN 0.235 nan 8.370 nan 0.000 0.486 303 P HA 0.018 nan 4.420 nan 0.000 0.233 303 P C 0.004 177.307 177.300 0.005 0.000 1.167 303 P CA 0.578 63.677 63.100 -0.002 0.000 0.770 303 P CB 0.487 32.182 31.700 -0.008 0.000 0.837 304 D N -0.223 120.180 120.400 0.006 0.000 2.441 304 D HA 0.377 5.026 4.640 0.015 0.000 0.231 304 D C 1.158 177.474 176.300 0.028 0.000 1.073 304 D CA -0.647 53.362 54.000 0.016 0.000 0.850 304 D CB 1.420 42.224 40.800 0.007 0.000 1.062 304 D HN -0.169 nan 8.370 nan 0.000 0.524 305 A N 3.111 125.949 122.820 0.030 0.000 1.986 305 A HA -0.222 4.107 4.320 0.015 0.000 0.220 305 A C 2.421 180.031 177.584 0.043 0.000 1.171 305 A CA 1.748 53.806 52.037 0.035 0.000 0.640 305 A CB -0.990 18.028 19.000 0.030 0.000 0.811 305 A HN 0.845 nan 8.150 nan 0.000 0.451 306 C N -1.026 118.301 119.300 0.044 0.000 2.419 306 C HA -0.036 4.433 4.460 0.015 0.000 0.281 306 C C 2.007 177.035 174.990 0.062 0.000 1.336 306 C CA 1.070 60.118 59.018 0.050 0.000 1.770 306 C CB -1.076 26.696 27.740 0.053 0.000 1.929 306 C HN 0.567 nan 8.230 nan 0.000 0.509 307 E N 1.271 121.512 120.200 0.069 0.000 2.285 307 E HA 0.148 4.507 4.350 0.015 0.000 0.194 307 E C 0.797 177.485 176.600 0.148 0.000 0.997 307 E CA 0.182 56.644 56.400 0.103 0.000 0.845 307 E CB -0.310 29.439 29.700 0.082 0.000 0.782 307 E HN 0.730 nan 8.360 nan 0.000 0.491 308 L N 1.206 122.496 121.223 0.111 0.000 2.530 308 L HA 0.104 4.453 4.340 0.015 0.000 0.273 308 L C 1.166 178.109 176.870 0.123 0.000 1.141 308 L CA 0.331 55.248 54.840 0.129 0.000 0.905 308 L CB -0.054 42.053 42.059 0.081 0.000 1.202 308 L HN 0.195 nan 8.230 nan 0.000 0.473 309 G N 2.705 111.621 108.800 0.193 0.000 2.249 309 G HA2 -0.334 3.635 3.960 0.015 0.000 0.273 309 G HA3 -0.334 3.635 3.960 0.015 0.000 0.273 309 G C 1.291 176.122 174.900 -0.115 0.000 1.036 309 G CA 0.695 45.790 45.100 -0.008 0.000 0.824 309 G HN 0.816 nan 8.290 nan 0.000 0.504 310 R N -0.509 119.992 120.500 0.002 0.000 2.096 310 R HA -0.027 4.322 4.340 0.015 0.000 0.240 310 R C 1.820 178.049 176.300 -0.118 0.000 1.139 310 R CA 1.937 58.034 56.100 -0.006 0.000 0.952 310 R CB -0.196 30.166 30.300 0.103 0.000 0.854 310 R HN 0.562 nan 8.270 nan 0.000 0.436 311 L N -0.818 120.221 121.223 -0.307 0.000 2.906 311 L HA 0.325 4.674 4.340 0.015 0.000 0.255 311 L C -0.001 176.622 176.870 -0.412 0.000 1.166 311 L CA -0.209 54.465 54.840 -0.275 0.000 0.977 311 L CB 0.845 42.836 42.059 -0.113 0.000 1.313 311 L HN 0.214 nan 8.230 nan 0.000 0.549 312 Q N -0.258 119.164 119.800 -0.629 0.000 2.479 312 Q HA 0.450 4.799 4.340 0.015 0.000 0.276 312 Q C -0.655 175.142 176.000 -0.339 0.000 0.989 312 Q CA -0.557 54.952 55.803 -0.489 0.000 0.864 312 Q CB 2.172 30.510 28.738 -0.667 0.000 1.444 312 Q HN 0.116 nan 8.270 nan 0.000 0.388 313 G N 2.844 111.553 108.800 -0.151 0.000 2.406 313 G HA2 0.467 4.436 3.960 0.015 0.000 0.251 313 G HA3 0.467 4.436 3.960 0.015 0.000 0.251 313 G C -0.088 174.808 174.900 -0.007 0.000 1.271 313 G CA -0.213 44.845 45.100 -0.070 0.000 0.859 313 G HN 0.620 nan 8.290 nan 0.000 0.540 314 I N -0.403 120.182 120.570 0.026 0.000 2.846 314 I HA 0.776 4.955 4.170 0.015 0.000 0.307 314 I C 0.856 177.007 176.117 0.057 0.000 1.053 314 I CA -1.339 60.009 61.300 0.081 0.000 1.050 314 I CB 2.328 40.409 38.000 0.133 0.000 1.239 314 I HN 0.433 nan 8.210 nan 0.000 0.439 315 A N 3.268 126.126 122.820 0.063 0.000 1.997 315 A HA 0.414 4.743 4.320 0.015 0.000 0.212 315 A C 0.431 178.042 177.584 0.044 0.000 1.178 315 A CA 0.733 52.798 52.037 0.047 0.000 0.698 315 A CB 0.056 19.084 19.000 0.046 0.000 0.842 315 A HN 0.649 nan 8.150 nan 0.000 0.458 316 L N -1.109 120.146 121.223 0.054 0.000 2.516 316 L HA 0.668 5.017 4.340 0.015 0.000 0.267 316 L C -0.531 176.371 176.870 0.053 0.000 0.957 316 L CA -0.100 54.769 54.840 0.047 0.000 0.860 316 L CB 1.488 43.575 42.059 0.046 0.000 1.265 316 L HN 0.094 nan 8.230 nan 0.000 0.403 317 G N 5.993 114.821 108.800 0.046 0.000 2.533 317 G HA2 0.629 4.598 3.960 0.015 0.000 0.310 317 G HA3 0.629 4.598 3.960 0.015 0.000 0.310 317 G C -1.020 173.901 174.900 0.035 0.000 1.266 317 G CA -0.290 44.840 45.100 0.049 0.000 0.967 317 G HN 0.532 nan 8.290 nan 0.000 0.493 318 I N 2.395 122.984 120.570 0.030 0.000 2.362 318 I HA 0.228 4.407 4.170 0.015 0.000 0.289 318 I C -0.229 175.898 176.117 0.015 0.000 0.994 318 I CA -0.995 60.316 61.300 0.019 0.000 1.158 318 I CB 2.347 40.354 38.000 0.012 0.000 1.315 318 I HN 0.056 nan 8.210 nan 0.000 0.451 319 V N 6.370 126.292 119.914 0.013 0.000 2.368 319 V HA 0.770 4.899 4.120 0.015 0.000 0.266 319 V C 0.350 176.446 176.094 0.003 0.000 1.045 319 V CA -0.042 62.264 62.300 0.010 0.000 0.899 319 V CB 0.545 32.376 31.823 0.013 0.000 1.006 319 V HN 0.891 nan 8.190 nan 0.000 0.470 320 A N 3.792 126.611 122.820 -0.002 0.000 2.586 320 A HA 0.632 4.961 4.320 0.015 0.000 0.290 320 A C -1.157 176.421 177.584 -0.009 0.000 1.086 320 A CA -0.766 51.267 52.037 -0.007 0.000 0.665 320 A CB 1.246 20.238 19.000 -0.013 0.000 1.279 320 A HN 0.694 nan 8.150 nan 0.000 0.423 321 D N -0.166 120.228 120.400 -0.010 0.000 2.389 321 D HA 0.350 4.999 4.640 0.015 0.000 0.247 321 D C 1.114 177.402 176.300 -0.020 0.000 1.128 321 D CA 0.186 54.180 54.000 -0.011 0.000 0.884 321 D CB 1.187 41.984 40.800 -0.004 0.000 1.194 321 D HN 0.191 nan 8.370 nan 0.000 0.441 322 V N 3.874 123.774 119.914 -0.023 0.000 2.358 322 V HA -0.078 4.051 4.120 0.015 0.000 0.246 322 V C 2.283 178.357 176.094 -0.034 0.000 1.047 322 V CA 2.171 64.453 62.300 -0.030 0.000 1.035 322 V CB -0.839 30.967 31.823 -0.028 0.000 0.658 322 V HN 0.828 nan 8.190 nan 0.000 0.452 323 G N 0.160 108.946 108.800 -0.023 0.000 2.421 323 G HA2 -0.167 3.802 3.960 0.015 0.000 0.216 323 G HA3 -0.167 3.802 3.960 0.015 0.000 0.216 323 G C 1.657 176.544 174.900 -0.022 0.000 1.171 323 G CA 0.930 46.019 45.100 -0.019 0.000 0.775 323 G HN 0.576 nan 8.290 nan 0.000 0.543 324 G N 0.099 108.891 108.800 -0.014 0.000 2.442 324 G HA2 -0.165 3.804 3.960 0.015 0.000 0.219 324 G HA3 -0.165 3.804 3.960 0.015 0.000 0.219 324 G C 1.837 176.707 174.900 -0.049 0.000 1.141 324 G CA 1.777 46.867 45.100 -0.016 0.000 0.763 324 G HN 0.399 nan 8.290 nan 0.000 0.554 325 T N 1.104 115.620 114.554 -0.062 0.000 2.777 325 T HA 0.009 4.367 4.350 0.015 0.000 0.266 325 T C 2.386 176.985 174.700 -0.168 0.000 1.040 325 T CA 0.785 62.826 62.100 -0.099 0.000 1.141 325 T CB -0.109 68.709 68.868 -0.084 0.000 0.868 325 T HN 0.247 nan 8.240 nan 0.000 0.444 326 I N 0.938 121.420 120.570 -0.148 0.000 2.226 326 I HA -0.137 4.041 4.170 0.015 0.000 0.245 326 I C 2.741 178.752 176.117 -0.177 0.000 1.100 326 I CA 1.088 62.272 61.300 -0.193 0.000 1.374 326 I CB -0.289 37.659 38.000 -0.088 0.000 1.057 326 I HN 0.174 nan 8.210 nan 0.000 0.413 327 E N 0.996 121.135 120.200 -0.101 0.000 2.058 327 E HA -0.236 4.123 4.350 0.015 0.000 0.194 327 E C 2.350 178.893 176.600 -0.095 0.000 0.997 327 E CA 1.581 57.938 56.400 -0.072 0.000 0.801 327 E CB -0.346 29.331 29.700 -0.037 0.000 0.746 327 E HN 0.508 nan 8.360 nan 0.000 0.450 328 A N 1.218 123.972 122.820 -0.109 0.000 1.908 328 A HA -0.159 4.170 4.320 0.015 0.000 0.218 328 A C 2.409 179.907 177.584 -0.143 0.000 1.181 328 A CA 1.237 53.212 52.037 -0.103 0.000 0.627 328 A CB -0.732 18.214 19.000 -0.090 0.000 0.818 328 A HN 0.170 nan 8.150 nan 0.000 0.445 329 L N -0.960 120.092 121.223 -0.284 0.000 2.056 329 L HA -0.152 4.197 4.340 0.015 0.000 0.207 329 L C 3.091 179.792 176.870 -0.282 0.000 1.078 329 L CA 0.962 55.514 54.840 -0.480 0.000 0.749 329 L CB -0.510 40.811 42.059 -1.230 0.000 0.901 329 L HN 0.430 nan 8.230 nan 0.000 0.433 330 A N -0.590 122.113 122.820 -0.195 0.000 1.902 330 A HA -0.275 4.054 4.320 0.015 0.000 0.217 330 A C 2.281 179.879 177.584 0.024 0.000 1.181 330 A CA 1.798 53.838 52.037 0.006 0.000 0.623 330 A CB -0.569 18.436 19.000 0.008 0.000 0.818 330 A HN 0.480 nan 8.150 nan 0.000 0.443 331 Q N -0.560 119.234 119.800 -0.011 0.000 2.050 331 Q HA -0.142 4.207 4.340 0.015 0.000 0.202 331 Q C 2.228 178.251 176.000 0.038 0.000 0.980 331 Q CA 1.608 57.416 55.803 0.008 0.000 0.840 331 Q CB -0.326 28.404 28.738 -0.013 0.000 0.898 331 Q HN 0.595 nan 8.270 nan 0.000 0.424 332 A N 0.359 123.202 122.820 0.039 0.000 1.933 332 A HA -0.160 4.169 4.320 0.015 0.000 0.218 332 A C 2.144 179.829 177.584 0.168 0.000 1.175 332 A CA 1.990 54.080 52.037 0.088 0.000 0.628 332 A CB -0.905 18.146 19.000 0.085 0.000 0.814 332 A HN 0.641 nan 8.150 nan 0.000 0.444 333 T N -3.254 111.418 114.554 0.196 0.000 3.113 333 T HA 0.410 4.769 4.350 0.015 0.000 0.256 333 T C 1.485 176.305 174.700 0.200 0.000 1.131 333 T CA 0.912 63.182 62.100 0.282 0.000 1.074 333 T CB 0.033 69.025 68.868 0.207 0.000 0.944 333 T HN 0.463 nan 8.240 nan 0.000 0.516 334 A N 0.328 123.227 122.820 0.132 0.000 2.169 334 A HA 0.441 4.770 4.320 0.015 0.000 0.212 334 A C 2.323 179.964 177.584 0.094 0.000 1.153 334 A CA 1.058 53.152 52.037 0.096 0.000 0.756 334 A CB -0.644 18.393 19.000 0.063 0.000 0.813 334 A HN 0.707 nan 8.150 nan 0.000 0.471 335 Q N -0.097 119.769 119.800 0.109 0.000 2.211 335 Q HA 0.226 4.575 4.340 0.015 0.000 0.242 335 Q C 0.412 176.466 176.000 0.091 0.000 0.825 335 Q CA 0.501 56.354 55.803 0.083 0.000 0.951 335 Q CB -0.141 28.633 28.738 0.061 0.000 1.130 335 Q HN 0.807 nan 8.270 nan 0.000 0.496 336 D N -0.377 120.106 120.400 0.138 0.000 2.451 336 D HA 0.596 5.245 4.640 0.015 0.000 0.259 336 D C 0.555 176.907 176.300 0.086 0.000 1.201 336 D CA 0.008 54.073 54.000 0.107 0.000 1.028 336 D CB 0.625 41.506 40.800 0.135 0.000 1.095 336 D HN 0.334 nan 8.370 nan 0.000 0.539 337 A N -0.539 122.276 122.820 -0.008 0.000 2.429 337 A HA 0.476 4.805 4.320 0.015 0.000 0.242 337 A C 0.616 178.194 177.584 -0.011 0.000 1.088 337 A CA 0.078 52.093 52.037 -0.036 0.000 0.784 337 A CB -0.667 18.271 19.000 -0.103 0.000 1.038 337 A HN 0.844 nan 8.150 nan 0.000 0.501 338 A N -0.255 122.579 122.820 0.023 0.000 2.531 338 A HA 0.357 4.686 4.320 0.015 0.000 0.236 338 A C -0.405 177.202 177.584 0.038 0.000 1.062 338 A CA 0.207 52.303 52.037 0.098 0.000 0.760 338 A CB -0.285 18.756 19.000 0.069 0.000 0.995 338 A HN 0.660 nan 8.150 nan 0.000 0.501 339 W N 1.735 123.042 121.300 0.012 0.000 2.381 339 W HA 0.487 5.156 4.660 0.015 0.000 0.329 339 W C -1.642 174.882 176.519 0.009 0.000 1.157 339 W CA -1.653 55.698 57.345 0.011 0.000 1.240 339 W CB 0.300 29.762 29.460 0.004 0.000 1.199 339 W HN 0.518 nan 8.180 nan 0.000 0.579 340 P HA -0.092 nan 4.420 nan 0.000 0.266 340 P C -0.286 177.105 177.300 0.152 0.000 1.195 340 P CA 0.085 63.261 63.100 0.127 0.000 0.768 340 P CB 0.660 32.417 31.700 0.095 0.000 0.838 341 D N 2.332 122.795 120.400 0.104 0.000 2.425 341 D HA -0.009 4.640 4.640 0.015 0.000 0.247 341 D C 0.282 176.648 176.300 0.110 0.000 1.147 341 D CA 0.144 54.200 54.000 0.094 0.000 0.879 341 D CB 0.645 41.485 40.800 0.068 0.000 1.179 341 D HN 0.299 nan 8.370 nan 0.000 0.456 342 R N 2.432 123.002 120.500 0.117 0.000 2.629 342 R HA 0.168 4.517 4.340 0.015 0.000 0.386 342 R C 1.679 178.069 176.300 0.151 0.000 1.071 342 R CA -0.232 55.969 56.100 0.168 0.000 1.104 342 R CB 0.865 31.294 30.300 0.214 0.000 1.370 342 R HN 0.502 nan 8.270 nan 0.000 0.574 343 G N 1.533 110.389 108.800 0.094 0.000 2.469 343 G HA2 -0.291 3.678 3.960 0.015 0.000 0.219 343 G HA3 -0.291 3.678 3.960 0.015 0.000 0.219 343 G C 0.925 175.869 174.900 0.073 0.000 1.150 343 G CA 1.052 46.188 45.100 0.060 0.000 0.763 343 G HN 0.182 nan 8.290 nan 0.000 0.561 344 D N -0.821 119.645 120.400 0.109 0.000 2.117 344 D HA -0.091 4.558 4.640 0.015 0.000 0.198 344 D C 1.878 178.298 176.300 0.199 0.000 0.982 344 D CA 0.529 54.602 54.000 0.123 0.000 0.828 344 D CB -0.423 40.448 40.800 0.119 0.000 0.967 344 D HN 0.608 nan 8.370 nan 0.000 0.464 345 W N 0.980 122.303 121.300 0.038 0.000 2.379 345 W HA -0.221 4.448 4.660 0.015 0.000 0.307 345 W C 1.866 178.429 176.519 0.074 0.000 1.200 345 W CA 0.627 58.010 57.345 0.063 0.000 1.297 345 W CB -0.312 29.194 29.460 0.076 0.000 1.140 345 W HN -0.027 nan 8.180 nan 0.000 0.507 346 C N 1.045 120.305 119.300 -0.067 0.000 2.413 346 C HA -0.160 4.309 4.460 0.015 0.000 0.277 346 C C 3.157 178.043 174.990 -0.174 0.000 1.265 346 C CA 1.767 60.657 59.018 -0.212 0.000 1.752 346 C CB -1.619 26.057 27.740 -0.108 0.000 1.998 346 C HN 0.509 nan 8.230 nan 0.000 0.489 347 A N 0.151 122.924 122.820 -0.079 0.000 1.969 347 A HA -0.162 4.167 4.320 0.015 0.000 0.218 347 A C 2.066 179.601 177.584 -0.082 0.000 1.169 347 A CA 1.993 53.991 52.037 -0.065 0.000 0.635 347 A CB -0.429 18.558 19.000 -0.021 0.000 0.810 347 A HN 0.483 nan 8.150 nan 0.000 0.445 348 K N 0.182 120.537 120.400 -0.075 0.000 2.026 348 K HA -0.064 4.265 4.320 0.015 0.000 0.208 348 K C 1.739 178.202 176.600 -0.229 0.000 1.048 348 K CA 1.806 58.032 56.287 -0.101 0.000 0.929 348 K CB -0.941 31.588 32.500 0.048 0.000 0.713 348 K HN 0.182 nan 8.250 nan 0.000 0.439 349 V N 0.682 120.406 119.914 -0.315 0.000 2.252 349 V HA -0.313 3.816 4.120 0.015 0.000 0.249 349 V C 2.124 178.174 176.094 -0.074 0.000 1.056 349 V CA 2.483 64.692 62.300 -0.152 0.000 1.022 349 V CB -0.860 30.806 31.823 -0.260 0.000 0.641 349 V HN 0.455 nan 8.190 nan 0.000 0.445 350 T N -0.501 113.980 114.554 -0.121 0.000 2.684 350 T HA -0.207 4.152 4.350 0.015 0.000 0.267 350 T C 1.666 176.328 174.700 -0.063 0.000 1.036 350 T CA 1.756 63.803 62.100 -0.089 0.000 1.148 350 T CB -0.424 68.386 68.868 -0.096 0.000 0.863 350 T HN 0.483 nan 8.240 nan 0.000 0.436 351 D N 1.028 121.382 120.400 -0.075 0.000 2.117 351 D HA -0.009 4.640 4.640 0.015 0.000 0.197 351 D C 2.137 178.402 176.300 -0.057 0.000 0.987 351 D CA 0.723 54.687 54.000 -0.060 0.000 0.829 351 D CB -0.395 40.368 40.800 -0.063 0.000 0.961 351 D HN 0.311 nan 8.370 nan 0.000 0.460 352 L N 0.514 121.672 121.223 -0.109 0.000 2.093 352 L HA -0.115 4.234 4.340 0.015 0.000 0.208 352 L C 2.497 179.385 176.870 0.030 0.000 1.085 352 L CA 1.001 55.773 54.840 -0.114 0.000 0.755 352 L CB -0.343 41.479 42.059 -0.395 0.000 0.904 352 L HN -0.023 nan 8.230 nan 0.000 0.435 353 A N -0.384 122.480 122.820 0.072 0.000 1.898 353 A HA -0.272 4.057 4.320 0.015 0.000 0.216 353 A C 2.206 179.855 177.584 0.109 0.000 1.181 353 A CA 1.789 53.898 52.037 0.120 0.000 0.620 353 A CB -0.508 18.547 19.000 0.091 0.000 0.819 353 A HN 0.387 nan 8.150 nan 0.000 0.442 354 Q N 0.245 120.077 119.800 0.054 0.000 2.084 354 Q HA -0.174 4.175 4.340 0.015 0.000 0.202 354 Q C 1.770 177.835 176.000 0.108 0.000 0.978 354 Q CA 2.290 58.132 55.803 0.064 0.000 0.844 354 Q CB -0.433 28.309 28.738 0.007 0.000 0.898 354 Q HN 0.749 nan 8.270 nan 0.000 0.426 355 E N -0.288 119.952 120.200 0.066 0.000 2.077 355 E HA -0.216 4.143 4.350 0.015 0.000 0.193 355 E C 2.041 178.688 176.600 0.079 0.000 0.989 355 E CA 1.018 57.453 56.400 0.058 0.000 0.800 355 E CB -0.178 29.535 29.700 0.023 0.000 0.746 355 E HN 0.301 nan 8.360 nan 0.000 0.452 356 R N 0.073 120.635 120.500 0.103 0.000 2.070 356 R HA -0.202 4.147 4.340 0.015 0.000 0.233 356 R C 2.297 178.658 176.300 0.101 0.000 1.137 356 R CA 1.567 57.727 56.100 0.100 0.000 0.945 356 R CB -0.431 29.947 30.300 0.131 0.000 0.845 356 R HN 0.244 nan 8.270 nan 0.000 0.430 357 Y N 0.663 120.994 120.300 0.052 0.000 2.128 357 Y HA -0.250 4.310 4.550 0.015 0.000 0.284 357 Y C 2.197 178.124 175.900 0.045 0.000 1.154 357 Y CA 2.049 60.201 58.100 0.087 0.000 1.149 357 Y CB -0.336 38.209 38.460 0.142 0.000 0.976 357 Y HN 0.258 nan 8.280 nan 0.000 0.505 358 A N -1.165 121.812 122.820 0.262 0.000 1.933 358 A HA -0.211 4.118 4.320 0.015 0.000 0.218 358 A C 2.434 180.022 177.584 0.006 0.000 1.175 358 A CA 1.867 53.994 52.037 0.150 0.000 0.628 358 A CB -1.301 17.780 19.000 0.135 0.000 0.814 358 A HN 0.518 nan 8.150 nan 0.000 0.444 359 S N -0.391 115.297 115.700 -0.020 0.000 2.368 359 S HA -0.116 4.363 4.470 0.015 0.000 0.225 359 S C 1.891 176.402 174.600 -0.147 0.000 1.030 359 S CA 1.435 59.601 58.200 -0.057 0.000 0.999 359 S CB -0.511 62.671 63.200 -0.030 0.000 0.844 359 S HN 0.491 nan 8.310 nan 0.000 0.459 360 I N 1.705 122.112 120.570 -0.271 0.000 2.202 360 I HA -0.115 4.064 4.170 0.015 0.000 0.242 360 I C 2.853 178.585 176.117 -0.643 0.000 1.091 360 I CA 1.072 62.068 61.300 -0.506 0.000 1.368 360 I CB -0.586 36.926 38.000 -0.812 0.000 1.058 360 I HN 0.367 nan 8.210 nan 0.000 0.410 361 A N 0.911 123.400 122.820 -0.551 0.000 1.908 361 A HA -0.234 4.095 4.320 0.015 0.000 0.218 361 A C 2.549 180.088 177.584 -0.074 0.000 1.181 361 A CA 2.135 54.077 52.037 -0.158 0.000 0.627 361 A CB -0.965 18.079 19.000 0.072 0.000 0.818 361 A HN 0.445 nan 8.150 nan 0.000 0.445 362 A N -0.547 122.226 122.820 -0.078 0.000 1.933 362 A HA -0.155 4.174 4.320 0.015 0.000 0.218 362 A C 2.102 179.645 177.584 -0.068 0.000 1.175 362 A CA 1.819 53.830 52.037 -0.042 0.000 0.628 362 A CB -0.363 18.621 19.000 -0.027 0.000 0.814 362 A HN 0.555 nan 8.150 nan 0.000 0.444 363 K N 0.115 120.444 120.400 -0.118 0.000 2.305 363 K HA 0.093 4.422 4.320 0.015 0.000 0.199 363 K C 0.028 176.521 176.600 -0.177 0.000 1.047 363 K CA 0.313 56.536 56.287 -0.106 0.000 0.976 363 K CB 0.119 32.573 32.500 -0.077 0.000 0.765 363 K HN 0.320 nan 8.250 nan 0.000 0.474 364 S N 1.040 116.538 115.700 -0.337 0.000 2.489 364 S HA 0.176 4.655 4.470 0.015 0.000 0.277 364 S C -0.363 174.008 174.600 -0.382 0.000 1.230 364 S CA -0.522 57.226 58.200 -0.753 0.000 1.053 364 S CB 1.479 63.955 63.200 -1.205 0.000 0.955 364 S HN 0.079 nan 8.310 nan 0.000 0.488 365 S N 2.104 117.649 115.700 -0.258 0.000 2.532 365 S HA 0.420 4.899 4.470 0.015 0.000 0.299 365 S C 0.076 174.739 174.600 0.104 0.000 1.105 365 S CA -0.708 57.505 58.200 0.023 0.000 1.018 365 S CB 1.269 64.470 63.200 0.002 0.000 1.021 365 S HN 0.457 nan 8.310 nan 0.000 0.483 366 S N 3.465 119.286 115.700 0.201 0.000 2.573 366 S HA 0.149 4.628 4.470 0.015 0.000 0.244 366 S C 1.342 175.955 174.600 0.023 0.000 0.984 366 S CA -0.378 57.923 58.200 0.168 0.000 1.001 366 S CB 0.010 63.369 63.200 0.266 0.000 0.788 366 S HN 0.862 nan 8.310 nan 0.000 0.456 367 E N 1.488 121.636 120.200 -0.086 0.000 2.070 367 E HA -0.239 4.120 4.350 0.015 0.000 0.197 367 E C 0.916 177.346 176.600 -0.283 0.000 1.004 367 E CA 1.624 57.860 56.400 -0.274 0.000 0.805 367 E CB -0.017 29.366 29.700 -0.527 0.000 0.744 367 E HN 0.731 nan 8.360 nan 0.000 0.451 368 H N -1.929 117.165 119.070 0.039 0.000 2.750 368 H HA 0.495 5.060 4.556 0.015 0.000 0.263 368 H C -0.213 175.128 175.328 0.021 0.000 0.964 368 H CA -0.025 56.039 56.048 0.026 0.000 1.205 368 H CB 1.379 31.155 29.762 0.023 0.000 1.454 368 H HN 0.143 nan 8.280 nan 0.000 0.503 369 A N 0.802 123.689 122.820 0.112 0.000 2.605 369 A HA 0.361 4.690 4.320 0.015 0.000 0.294 369 A C -1.732 175.884 177.584 0.052 0.000 1.062 369 A CA -0.865 51.211 52.037 0.064 0.000 0.682 369 A CB 0.808 19.839 19.000 0.051 0.000 1.278 369 A HN 0.103 nan 8.150 nan 0.000 0.410 370 L N 1.869 123.112 121.223 0.033 0.000 2.534 370 L HA 0.271 4.620 4.340 0.015 0.000 0.271 370 L C 0.337 177.213 176.870 0.010 0.000 1.178 370 L CA 0.789 55.659 54.840 0.051 0.000 0.907 370 L CB -0.442 41.633 42.059 0.026 0.000 1.164 370 L HN 0.780 nan 8.230 nan 0.000 0.482 371 H N 6.826 125.860 119.070 -0.061 0.000 2.610 371 H HA 0.251 4.817 4.556 0.016 0.000 0.336 371 H C -1.796 173.329 175.328 -0.339 0.000 1.087 371 H CA -1.224 54.672 56.048 -0.253 0.000 1.405 371 H CB 1.196 30.703 29.762 -0.426 0.000 1.460 371 H HN 0.547 nan 8.280 nan 0.000 0.538 372 P HA -0.203 nan 4.420 nan 0.000 0.217 372 P C 1.048 178.141 177.300 -0.344 0.000 1.148 372 P CA 1.206 63.958 63.100 -0.579 0.000 0.828 372 P CB -0.026 31.017 31.700 -1.096 0.000 0.783 373 F N -0.574 119.102 119.950 -0.457 0.000 2.146 373 F HA -0.218 4.317 4.527 0.014 0.000 0.298 373 F C 2.364 178.135 175.800 -0.049 0.000 1.096 373 F CA 1.456 59.320 58.000 -0.227 0.000 1.275 373 F CB -0.288 38.499 39.000 -0.356 0.000 1.008 373 F HN -0.033 nan 8.300 nan 0.000 0.480 374 H N 0.179 119.219 119.070 -0.050 0.000 2.353 374 H HA -0.056 4.509 4.556 0.015 0.000 0.300 374 H C 2.390 177.686 175.328 -0.052 0.000 1.090 374 H CA 1.130 57.113 56.048 -0.108 0.000 1.327 374 H CB -1.134 28.623 29.762 -0.009 0.000 1.383 374 H HN 0.398 nan 8.280 nan 0.000 0.508 375 A N 0.547 123.457 122.820 0.151 0.000 1.902 375 A HA -0.175 4.154 4.320 0.015 0.000 0.217 375 A C 2.694 180.423 177.584 0.242 0.000 1.181 375 A CA 1.901 54.099 52.037 0.268 0.000 0.623 375 A CB -0.659 18.417 19.000 0.127 0.000 0.818 375 A HN 0.387 nan 8.150 nan 0.000 0.443 376 S N -0.227 115.520 115.700 0.078 0.000 2.368 376 S HA -0.227 4.252 4.470 0.015 0.000 0.225 376 S C 2.067 176.640 174.600 -0.045 0.000 1.030 376 S CA 1.600 59.829 58.200 0.049 0.000 0.999 376 S CB -0.361 62.872 63.200 0.056 0.000 0.844 376 S HN 0.709 nan 8.310 nan 0.000 0.459 377 Q N 0.358 120.047 119.800 -0.185 0.000 2.124 377 Q HA -0.064 4.285 4.340 0.015 0.000 0.202 377 Q C 2.269 178.204 176.000 -0.109 0.000 0.977 377 Q CA 1.189 56.883 55.803 -0.182 0.000 0.850 377 Q CB -0.362 28.227 28.738 -0.248 0.000 0.901 377 Q HN 0.367 nan 8.270 nan 0.000 0.429 378 V N 1.012 120.869 119.914 -0.094 0.000 2.332 378 V HA -0.277 3.852 4.120 0.015 0.000 0.248 378 V C 2.079 178.069 176.094 -0.174 0.000 1.055 378 V CA 1.646 63.830 62.300 -0.193 0.000 1.038 378 V CB -0.420 31.185 31.823 -0.363 0.000 0.651 378 V HN 0.348 nan 8.190 nan 0.000 0.450 379 I N 0.282 120.802 120.570 -0.083 0.000 2.202 379 I HA -0.188 3.991 4.170 0.015 0.000 0.242 379 I C 2.664 178.795 176.117 0.023 0.000 1.091 379 I CA 1.354 62.656 61.300 0.003 0.000 1.368 379 I CB -0.612 37.443 38.000 0.092 0.000 1.058 379 I HN 0.266 nan 8.210 nan 0.000 0.410 380 A N 1.194 124.008 122.820 -0.011 0.000 1.940 380 A HA -0.304 4.025 4.320 0.015 0.000 0.219 380 A C 2.592 180.134 177.584 -0.069 0.000 1.176 380 A CA 2.562 54.584 52.037 -0.025 0.000 0.631 380 A CB -0.997 17.990 19.000 -0.021 0.000 0.814 380 A HN 0.397 nan 8.150 nan 0.000 0.446 381 K N -0.858 119.462 120.400 -0.134 0.000 2.173 381 K HA -0.224 4.105 4.320 0.015 0.000 0.207 381 K C 1.667 178.062 176.600 -0.342 0.000 1.046 381 K CA 1.983 58.111 56.287 -0.265 0.000 0.929 381 K CB -1.087 31.183 32.500 -0.384 0.000 0.720 381 K HN 0.854 nan 8.250 nan 0.000 0.453 382 H N -1.361 117.657 119.070 -0.086 0.000 2.586 382 H HA 0.229 4.794 4.556 0.015 0.000 0.273 382 H C -0.341 174.955 175.328 -0.052 0.000 0.997 382 H CA -0.058 55.945 56.048 -0.075 0.000 1.177 382 H CB 0.419 30.127 29.762 -0.089 0.000 1.471 382 H HN 0.157 nan 8.280 nan 0.000 0.538 383 V N 4.006 123.939 119.914 0.032 0.000 2.406 383 V HA 0.133 4.262 4.120 0.015 0.000 0.272 383 V C 0.121 176.211 176.094 -0.007 0.000 1.043 383 V CA -0.143 62.168 62.300 0.020 0.000 0.915 383 V CB 1.109 32.938 31.823 0.010 0.000 0.988 383 V HN 0.484 nan 8.190 nan 0.000 0.466 384 D N 4.074 124.474 120.400 0.000 0.000 3.103 384 D HA 0.426 5.074 4.640 0.015 0.000 0.337 384 D C 0.897 177.194 176.300 -0.005 0.000 1.356 384 D CA 0.004 53.997 54.000 -0.012 0.000 0.951 384 D CB 1.071 41.860 40.800 -0.019 0.000 1.438 384 D HN 0.371 nan 8.370 nan 0.000 0.562 385 A N -0.478 122.336 122.820 -0.010 0.000 2.024 385 A HA 0.140 4.469 4.320 0.015 0.000 0.220 385 A C 1.893 179.475 177.584 -0.003 0.000 1.164 385 A CA 2.074 54.106 52.037 -0.007 0.000 0.643 385 A CB -1.471 17.521 19.000 -0.012 0.000 0.806 385 A HN 0.675 nan 8.150 nan 0.000 0.451 386 G N -1.471 107.328 108.800 -0.001 0.000 2.920 386 G HA2 0.370 4.339 3.960 0.015 0.000 0.208 386 G HA3 0.370 4.339 3.960 0.015 0.000 0.208 386 G C 0.089 174.992 174.900 0.006 0.000 1.159 386 G CA 0.584 45.685 45.100 0.001 0.000 0.784 386 G HN 0.274 nan 8.290 nan 0.000 0.535 387 V N 0.178 120.099 119.914 0.011 0.000 2.656 387 V HA 0.458 4.587 4.120 0.015 0.000 0.307 387 V C -0.435 175.673 176.094 0.023 0.000 1.051 387 V CA -0.651 61.659 62.300 0.017 0.000 0.893 387 V CB 2.153 33.993 31.823 0.027 0.000 0.999 387 V HN 0.017 nan 8.190 nan 0.000 0.426 388 T N 3.800 118.365 114.554 0.018 0.000 2.771 388 T HA 0.527 4.886 4.350 0.015 0.000 0.281 388 T C -0.343 174.376 174.700 0.032 0.000 0.982 388 T CA -0.300 61.814 62.100 0.022 0.000 0.978 388 T CB 1.423 70.285 68.868 -0.011 0.000 0.930 388 T HN 0.352 nan 8.240 nan 0.000 0.447 389 V N 4.684 124.652 119.914 0.089 0.000 2.394 389 V HA 0.401 4.530 4.120 0.015 0.000 0.282 389 V C 0.013 176.093 176.094 -0.023 0.000 1.031 389 V CA -0.634 61.730 62.300 0.108 0.000 0.881 389 V CB 1.493 33.482 31.823 0.277 0.000 0.982 389 V HN 0.677 nan 8.190 nan 0.000 0.451 390 V N 4.187 124.036 119.914 -0.108 0.000 2.435 390 V HA 0.822 4.951 4.120 0.015 0.000 0.290 390 V C 0.308 176.250 176.094 -0.254 0.000 1.030 390 V CA -0.502 61.646 62.300 -0.253 0.000 0.881 390 V CB 1.656 33.348 31.823 -0.218 0.000 0.983 390 V HN 0.964 nan 8.190 nan 0.000 0.445 391 A N 3.180 125.753 122.820 -0.410 0.000 2.343 391 A HA 0.808 5.137 4.320 0.015 0.000 0.316 391 A C -0.757 176.528 177.584 -0.499 0.000 1.104 391 A CA -0.354 51.489 52.037 -0.323 0.000 0.768 391 A CB 1.459 20.306 19.000 -0.254 0.000 1.213 391 A HN 0.776 nan 8.150 nan 0.000 0.456 392 D N 0.676 120.893 120.400 -0.306 0.000 2.837 392 D HA 0.690 5.339 4.640 0.015 0.000 0.294 392 D C 0.701 177.054 176.300 0.088 0.000 1.158 392 D CA 0.911 54.730 54.000 -0.303 0.000 1.073 392 D CB 1.548 42.225 40.800 -0.205 0.000 1.419 392 D HN 1.531 nan 8.370 nan 0.000 0.584 393 G N -0.776 108.165 108.800 0.235 0.000 2.645 393 G HA2 0.232 4.201 3.960 0.015 0.000 0.246 393 G HA3 0.232 4.201 3.960 0.015 0.000 0.246 393 G C 0.197 175.366 174.900 0.448 0.000 1.322 393 G CA 0.866 46.136 45.100 0.282 0.000 0.898 393 G HN 1.054 nan 8.290 nan 0.000 0.573 394 A N -2.334 120.644 122.820 0.264 0.000 1.807 394 A HA 0.669 4.998 4.320 0.015 0.000 0.178 394 A C 2.365 179.828 177.584 -0.202 0.000 2.008 394 A CA 0.984 53.091 52.037 0.117 0.000 1.178 394 A CB -0.494 18.569 19.000 0.106 0.000 0.966 394 A HN 1.192 nan 8.150 nan 0.000 0.653 395 L N 0.785 121.945 121.223 -0.104 0.000 2.043 395 L HA -0.217 4.132 4.340 0.015 0.000 0.212 395 L C 2.671 179.568 176.870 0.045 0.000 1.075 395 L CA 1.971 56.753 54.840 -0.097 0.000 0.752 395 L CB -0.993 41.051 42.059 -0.026 0.000 0.891 395 L HN 0.482 nan 8.230 nan 0.000 0.432 396 T N -0.499 114.114 114.554 0.099 0.000 2.635 396 T HA -0.274 4.084 4.350 0.015 0.000 0.267 396 T C 1.664 176.473 174.700 0.181 0.000 1.040 396 T CA 2.304 64.502 62.100 0.163 0.000 1.156 396 T CB -0.486 68.457 68.868 0.125 0.000 0.863 396 T HN 0.596 nan 8.240 nan 0.000 0.430 397 Y N 1.051 121.408 120.300 0.096 0.000 2.395 397 Y HA 0.260 4.818 4.550 0.014 0.000 0.293 397 Y C 1.928 177.879 175.900 0.085 0.000 1.123 397 Y CA 0.296 58.433 58.100 0.062 0.000 1.227 397 Y CB -0.888 37.541 38.460 -0.050 0.000 1.012 397 Y HN 0.109 nan 8.280 nan 0.000 0.552 398 L N -1.024 119.885 121.223 -0.523 0.000 2.046 398 L HA -0.171 4.178 4.340 0.015 0.000 0.208 398 L C 2.248 179.039 176.870 -0.132 0.000 1.077 398 L CA 1.750 56.362 54.840 -0.380 0.000 0.747 398 L CB -0.720 41.022 42.059 -0.528 0.000 0.896 398 L HN 0.325 nan 8.230 nan 0.000 0.432 399 W N -0.341 120.959 121.300 0.001 0.000 2.379 399 W HA -0.206 4.461 4.660 0.013 0.000 0.307 399 W C 2.420 179.032 176.519 0.154 0.000 1.200 399 W CA 0.249 57.657 57.345 0.105 0.000 1.297 399 W CB -0.298 29.224 29.460 0.104 0.000 1.140 399 W HN 0.057 nan 8.180 nan 0.000 0.507 400 L N 1.128 122.572 121.223 0.369 0.000 2.079 400 L HA -0.254 4.095 4.340 0.015 0.000 0.210 400 L C 2.680 179.691 176.870 0.234 0.000 1.081 400 L CA 2.499 57.506 54.840 0.278 0.000 0.752 400 L CB -1.220 40.994 42.059 0.258 0.000 0.896 400 L HN 0.026 nan 8.230 nan 0.000 0.433 401 S N -1.294 114.553 115.700 0.244 0.000 2.402 401 S HA -0.223 4.256 4.470 0.015 0.000 0.233 401 S C 1.761 176.480 174.600 0.199 0.000 1.030 401 S CA 1.303 59.634 58.200 0.218 0.000 1.003 401 S CB -0.710 62.688 63.200 0.330 0.000 0.813 401 S HN 0.586 nan 8.310 nan 0.000 0.477 402 E N 1.127 121.487 120.200 0.266 0.000 2.268 402 E HA -0.043 4.316 4.350 0.015 0.000 0.195 402 E C 2.186 179.025 176.600 0.399 0.000 0.995 402 E CA 1.344 57.944 56.400 0.334 0.000 0.836 402 E CB -0.348 29.610 29.700 0.429 0.000 0.763 402 E HN 0.799 nan 8.360 nan 0.000 0.491 403 V N -2.979 117.116 119.914 0.301 0.000 3.621 403 V HA 0.109 4.237 4.120 0.015 0.000 0.285 403 V C 1.741 177.897 176.094 0.103 0.000 1.346 403 V CA 0.133 62.587 62.300 0.257 0.000 1.104 403 V CB 0.070 31.970 31.823 0.129 0.000 0.913 403 V HN -0.022 nan 8.190 nan 0.000 0.432 404 M N 0.649 120.264 119.600 0.025 0.000 2.447 404 M HA 0.115 4.604 4.480 0.015 0.000 0.264 404 M C 2.134 178.365 176.300 -0.116 0.000 1.095 404 M CA 1.096 56.315 55.300 -0.136 0.000 1.125 404 M CB -0.839 31.515 32.600 -0.411 0.000 1.389 404 M HN 0.492 nan 8.290 nan 0.000 0.459 405 S N -0.051 115.630 115.700 -0.032 0.000 2.436 405 S HA 0.042 4.521 4.470 0.015 0.000 0.228 405 S C 1.937 176.499 174.600 -0.064 0.000 1.014 405 S CA 0.582 58.757 58.200 -0.042 0.000 0.950 405 S CB 0.039 63.246 63.200 0.011 0.000 0.784 405 S HN 0.400 nan 8.310 nan 0.000 0.504 406 R N 1.173 121.641 120.500 -0.054 0.000 2.153 406 R HA 0.053 4.402 4.340 0.015 0.000 0.218 406 R C 1.004 177.246 176.300 -0.097 0.000 1.072 406 R CA 0.536 56.576 56.100 -0.100 0.000 0.990 406 R CB -0.439 29.772 30.300 -0.148 0.000 0.889 406 R HN 0.445 nan 8.270 nan 0.000 0.452 407 V N -1.084 118.782 119.914 -0.081 0.000 3.109 407 V HA 0.384 4.513 4.120 0.015 0.000 0.317 407 V C -0.168 175.881 176.094 -0.075 0.000 1.074 407 V CA -0.932 61.322 62.300 -0.076 0.000 1.033 407 V CB 1.645 33.430 31.823 -0.062 0.000 1.111 407 V HN -0.059 nan 8.190 nan 0.000 0.458 408 K N 2.503 122.867 120.400 -0.060 0.000 2.562 408 K HA 0.424 4.753 4.320 0.015 0.000 0.206 408 K C -2.795 173.788 176.600 -0.030 0.000 1.033 408 K CA -1.485 54.772 56.287 -0.050 0.000 1.029 408 K CB 1.247 33.717 32.500 -0.050 0.000 1.393 408 K HN 0.594 nan 8.250 nan 0.000 0.539 409 P HA 0.002 nan 4.420 nan 0.000 0.275 409 P C 0.676 177.988 177.300 0.020 0.000 1.228 409 P CA 0.011 63.119 63.100 0.013 0.000 0.786 409 P CB 1.402 33.129 31.700 0.046 0.000 0.927 410 G N 2.123 110.935 108.800 0.019 0.000 2.422 410 G HA2 0.088 4.056 3.960 0.015 0.000 0.218 410 G HA3 0.088 4.056 3.960 0.015 0.000 0.218 410 G C 0.685 175.598 174.900 0.022 0.000 1.146 410 G CA 0.698 45.806 45.100 0.012 0.000 0.769 410 G HN 0.807 nan 8.290 nan 0.000 0.547 411 G N -1.638 107.190 108.800 0.047 0.000 2.696 411 G HA2 0.495 4.464 3.960 0.015 0.000 0.295 411 G HA3 0.495 4.464 3.960 0.015 0.000 0.295 411 G C -2.111 172.881 174.900 0.153 0.000 1.398 411 G CA -0.738 44.398 45.100 0.061 0.000 0.920 411 G HN 0.197 nan 8.290 nan 0.000 0.492 412 F N 1.978 121.909 119.950 -0.032 0.000 2.617 412 F HA 0.641 5.177 4.527 0.015 0.000 0.325 412 F C -1.363 174.406 175.800 -0.053 0.000 1.179 412 F CA -1.200 56.779 58.000 -0.035 0.000 0.965 412 F CB 1.490 40.488 39.000 -0.003 0.000 1.232 412 F HN 0.316 nan 8.300 nan 0.000 0.461 413 L N 7.390 128.210 121.223 -0.672 0.000 2.345 413 L HA 0.489 4.838 4.340 0.015 0.000 0.274 413 L C -0.505 175.873 176.870 -0.820 0.000 0.999 413 L CA -0.600 53.896 54.840 -0.574 0.000 0.849 413 L CB 1.281 43.141 42.059 -0.332 0.000 1.220 413 L HN 0.698 nan 8.230 nan 0.000 0.422 414 C N 1.392 120.195 119.300 -0.829 0.000 2.710 414 C HA 0.495 4.964 4.460 0.015 0.000 0.367 414 C C 0.539 175.168 174.990 -0.602 0.000 1.315 414 C CA -0.478 58.009 59.018 -0.885 0.000 1.764 414 C CB 1.412 28.486 27.740 -1.109 0.000 2.182 414 C HN 0.789 nan 8.230 nan 0.000 0.491 415 H N 0.104 118.804 119.070 -0.616 0.000 2.972 415 H HA 0.353 4.918 4.556 0.015 0.000 0.343 415 H C 0.846 176.051 175.328 -0.205 0.000 1.054 415 H CA 1.216 57.019 56.048 -0.408 0.000 1.412 415 H CB 0.592 30.064 29.762 -0.483 0.000 1.385 415 H HN 0.835 nan 8.280 nan 0.000 0.600 416 G N 0.954 109.765 108.800 0.019 0.000 2.849 416 G HA2 -0.021 3.948 3.960 0.015 0.000 0.174 416 G HA3 -0.021 3.948 3.960 0.015 0.000 0.174 416 G C -0.075 174.901 174.900 0.127 0.000 1.370 416 G CA -0.429 44.672 45.100 0.001 0.000 1.040 416 G HN 0.588 nan 8.290 nan 0.000 0.582 417 Y N -0.581 119.732 120.300 0.020 0.000 2.274 417 Y HA -0.030 4.528 4.550 0.014 0.000 0.290 417 Y C 2.644 178.551 175.900 0.010 0.000 1.145 417 Y CA 0.280 58.392 58.100 0.021 0.000 1.203 417 Y CB -0.766 37.700 38.460 0.011 0.000 0.984 417 Y HN 0.202 nan 8.280 nan 0.000 0.533 418 L N 0.057 121.371 121.223 0.152 0.000 2.141 418 L HA 0.080 4.429 4.340 0.015 0.000 0.209 418 L C 1.800 178.652 176.870 -0.030 0.000 1.094 418 L CA 1.618 56.498 54.840 0.067 0.000 0.763 418 L CB -0.905 41.187 42.059 0.055 0.000 0.908 418 L HN 0.350 nan 8.230 nan 0.000 0.437 419 G N -0.102 108.641 108.800 -0.095 0.000 2.356 419 G HA2 -0.322 3.647 3.960 0.015 0.000 0.296 419 G HA3 -0.322 3.647 3.960 0.015 0.000 0.296 419 G C 0.428 175.057 174.900 -0.451 0.000 1.022 419 G CA 0.658 45.563 45.100 -0.326 0.000 0.961 419 G HN 0.544 nan 8.290 nan 0.000 0.510 420 S N 0.706 116.182 115.700 -0.374 0.000 2.411 420 S HA 0.544 5.023 4.470 0.015 0.000 0.304 420 S C 1.294 175.687 174.600 -0.346 0.000 1.098 420 S CA -0.761 57.263 58.200 -0.293 0.000 1.068 420 S CB -0.097 63.000 63.200 -0.171 0.000 1.032 420 S HN 0.312 nan 8.310 nan 0.000 0.511 421 M N 3.868 123.268 119.600 -0.334 0.000 2.261 421 M HA 0.145 4.634 4.480 0.015 0.000 0.350 421 M C 1.640 177.631 176.300 -0.515 0.000 1.343 421 M CA 1.283 56.471 55.300 -0.186 0.000 1.003 421 M CB -0.584 32.051 32.600 0.058 0.000 1.848 421 M HN 0.998 nan 8.290 nan 0.000 0.456 422 G N 1.806 110.477 108.800 -0.214 0.000 2.238 422 G HA2 -0.249 3.720 3.960 0.015 0.000 0.217 422 G HA3 -0.249 3.720 3.960 0.015 0.000 0.217 422 G C 0.531 175.292 174.900 -0.232 0.000 0.996 422 G CA 0.414 45.358 45.100 -0.260 0.000 0.632 422 G HN 0.800 nan 8.290 nan 0.000 0.503 423 V N 0.172 119.877 119.914 -0.349 0.000 2.867 423 V HA 0.290 4.418 4.120 0.015 0.000 0.260 423 V C 2.486 178.321 176.094 -0.431 0.000 1.099 423 V CA 2.270 64.157 62.300 -0.687 0.000 1.122 423 V CB -0.944 30.392 31.823 -0.812 0.000 0.708 423 V HN 1.056 nan 8.190 nan 0.000 0.490 424 G N -0.689 107.957 108.800 -0.256 0.000 2.432 424 G HA2 -0.231 3.737 3.960 0.015 0.000 0.219 424 G HA3 -0.231 3.737 3.960 0.015 0.000 0.219 424 G C 1.308 176.140 174.900 -0.113 0.000 1.135 424 G CA 1.048 46.010 45.100 -0.231 0.000 0.767 424 G HN 0.510 nan 8.290 nan 0.000 0.550 425 F N 2.231 122.072 119.950 -0.182 0.000 2.060 425 F HA 0.103 4.638 4.527 0.013 0.000 0.295 425 F C 2.689 178.403 175.800 -0.143 0.000 1.120 425 F CA 1.128 59.028 58.000 -0.166 0.000 1.205 425 F CB -0.805 38.096 39.000 -0.166 0.000 0.986 425 F HN 0.131 nan 8.300 nan 0.000 0.470 426 G N -1.046 107.847 108.800 0.154 0.000 2.440 426 G HA2 -0.268 3.701 3.960 0.015 0.000 0.218 426 G HA3 -0.268 3.701 3.960 0.015 0.000 0.218 426 G C 1.683 176.587 174.900 0.007 0.000 1.154 426 G CA 1.530 46.673 45.100 0.071 0.000 0.767 426 G HN 0.378 nan 8.290 nan 0.000 0.552 427 T N 1.688 116.223 114.554 -0.031 0.000 2.665 427 T HA -0.099 4.260 4.350 0.015 0.000 0.268 427 T C 2.785 177.426 174.700 -0.099 0.000 1.035 427 T CA 1.853 63.896 62.100 -0.096 0.000 1.151 427 T CB -0.435 68.335 68.868 -0.163 0.000 0.862 427 T HN 0.398 nan 8.240 nan 0.000 0.438 428 A N 0.727 123.499 122.820 -0.081 0.000 1.969 428 A HA 0.099 4.428 4.320 0.015 0.000 0.218 428 A C 2.287 179.861 177.584 -0.016 0.000 1.169 428 A CA 1.058 53.051 52.037 -0.074 0.000 0.635 428 A CB -0.761 18.170 19.000 -0.115 0.000 0.810 428 A HN 0.501 nan 8.150 nan 0.000 0.445 429 L N -0.504 120.741 121.223 0.036 0.000 2.017 429 L HA -0.079 4.270 4.340 0.015 0.000 0.208 429 L C 2.481 179.383 176.870 0.054 0.000 1.073 429 L CA 1.715 56.599 54.840 0.075 0.000 0.745 429 L CB -0.571 41.549 42.059 0.103 0.000 0.894 429 L HN 0.381 nan 8.230 nan 0.000 0.432 430 G N -1.045 107.707 108.800 -0.081 0.000 2.418 430 G HA2 -0.270 3.699 3.960 0.015 0.000 0.217 430 G HA3 -0.270 3.699 3.960 0.015 0.000 0.217 430 G C 1.630 176.539 174.900 0.014 0.000 1.158 430 G CA 0.683 45.653 45.100 -0.216 0.000 0.771 430 G HN 0.580 nan 8.290 nan 0.000 0.545 431 A N 0.284 123.083 122.820 -0.035 0.000 1.908 431 A HA -0.141 4.188 4.320 0.015 0.000 0.218 431 A C 2.314 179.901 177.584 0.004 0.000 1.181 431 A CA 2.325 54.344 52.037 -0.030 0.000 0.627 431 A CB -0.465 18.497 19.000 -0.063 0.000 0.818 431 A HN 0.415 nan 8.150 nan 0.000 0.445 432 Q N -0.146 119.671 119.800 0.028 0.000 2.170 432 Q HA -0.087 4.262 4.340 0.015 0.000 0.203 432 Q C 1.831 177.869 176.000 0.064 0.000 0.976 432 Q CA 1.916 57.744 55.803 0.042 0.000 0.858 432 Q CB -0.570 28.199 28.738 0.051 0.000 0.907 432 Q HN 0.367 nan 8.270 nan 0.000 0.433 433 V N 0.500 120.488 119.914 0.123 0.000 2.261 433 V HA -0.275 3.854 4.120 0.015 0.000 0.246 433 V C 2.274 178.407 176.094 0.064 0.000 1.047 433 V CA 1.848 64.222 62.300 0.123 0.000 1.015 433 V CB -1.339 30.633 31.823 0.249 0.000 0.642 433 V HN 0.517 nan 8.190 nan 0.000 0.446 434 A N -0.219 122.646 122.820 0.076 0.000 1.908 434 A HA -0.281 4.048 4.320 0.015 0.000 0.218 434 A C 1.951 179.476 177.584 -0.097 0.000 1.181 434 A CA 2.166 54.092 52.037 -0.185 0.000 0.627 434 A CB -0.675 18.097 19.000 -0.380 0.000 0.818 434 A HN 0.546 nan 8.150 nan 0.000 0.445 435 D N -0.566 119.808 120.400 -0.044 0.000 2.264 435 D HA -0.054 4.595 4.640 0.015 0.000 0.208 435 D C 1.667 177.965 176.300 -0.004 0.000 0.966 435 D CA 0.403 54.387 54.000 -0.026 0.000 0.864 435 D CB -0.168 40.624 40.800 -0.013 0.000 0.933 435 D HN 0.234 nan 8.370 nan 0.000 0.499 436 L N 1.378 122.608 121.223 0.011 0.000 1.990 436 L HA -0.197 4.152 4.340 0.015 0.000 0.213 436 L C 2.303 179.190 176.870 0.029 0.000 1.072 436 L CA 1.735 56.592 54.840 0.029 0.000 0.755 436 L CB -1.068 41.020 42.059 0.047 0.000 0.889 436 L HN 0.273 nan 8.230 nan 0.000 0.432 437 E N -1.193 119.025 120.200 0.029 0.000 2.358 437 E HA -0.064 4.294 4.350 0.015 0.000 0.195 437 E C 1.731 178.336 176.600 0.008 0.000 1.010 437 E CA 0.872 57.291 56.400 0.031 0.000 0.856 437 E CB -0.172 29.558 29.700 0.050 0.000 0.795 437 E HN 0.373 nan 8.360 nan 0.000 0.504 438 A N 1.349 124.165 122.820 -0.006 0.000 2.218 438 A HA 0.330 4.658 4.320 0.015 0.000 0.209 438 A C 1.829 179.410 177.584 -0.005 0.000 1.168 438 A CA 0.514 52.543 52.037 -0.014 0.000 0.804 438 A CB -0.447 18.536 19.000 -0.029 0.000 0.834 438 A HN 0.467 nan 8.150 nan 0.000 0.482 439 G N -0.308 108.493 108.800 0.002 0.000 2.273 439 G HA2 -0.260 3.709 3.960 0.015 0.000 0.280 439 G HA3 -0.260 3.709 3.960 0.015 0.000 0.280 439 G C 0.138 175.040 174.900 0.002 0.000 1.047 439 G CA 0.512 45.615 45.100 0.005 0.000 0.869 439 G HN 0.640 nan 8.290 nan 0.000 0.502 440 R N -1.206 119.294 120.500 0.001 0.000 2.732 440 R HA 0.698 5.047 4.340 0.015 0.000 0.278 440 R C 0.047 176.349 176.300 0.005 0.000 0.976 440 R CA -1.140 54.960 56.100 0.000 0.000 0.963 440 R CB 1.216 31.512 30.300 -0.006 0.000 1.150 440 R HN 0.138 nan 8.270 nan 0.000 0.478 441 R N 0.401 120.904 120.500 0.004 0.000 2.393 441 R HA 0.287 4.636 4.340 0.015 0.000 0.310 441 R C -1.142 175.160 176.300 0.003 0.000 0.968 441 R CA -0.126 55.977 56.100 0.006 0.000 0.867 441 R CB 1.474 31.774 30.300 0.001 0.000 1.124 441 R HN 0.546 nan 8.270 nan 0.000 0.450 442 T N 5.274 119.830 114.554 0.004 0.000 2.829 442 T HA 0.517 4.876 4.350 0.015 0.000 0.282 442 T C 0.040 174.734 174.700 -0.011 0.000 0.990 442 T CA -0.400 61.697 62.100 -0.006 0.000 1.028 442 T CB 0.631 69.492 68.868 -0.012 0.000 0.951 442 T HN 0.428 nan 8.240 nan 0.000 0.460 443 I N 3.506 124.066 120.570 -0.016 0.000 2.410 443 I HA 0.334 4.513 4.170 0.015 0.000 0.286 443 I C -0.803 175.287 176.117 -0.044 0.000 1.009 443 I CA -1.034 60.255 61.300 -0.019 0.000 1.111 443 I CB 1.750 39.753 38.000 0.004 0.000 1.262 443 I HN 0.359 nan 8.210 nan 0.000 0.443 444 L N 8.721 129.891 121.223 -0.088 0.000 2.292 444 L HA 0.508 4.857 4.340 0.015 0.000 0.284 444 L C -0.643 176.171 176.870 -0.094 0.000 1.065 444 L CA -0.070 54.687 54.840 -0.139 0.000 0.806 444 L CB 1.373 43.275 42.059 -0.262 0.000 1.175 444 L HN 0.333 nan 8.230 nan 0.000 0.431 445 V N 5.101 124.975 119.914 -0.068 0.000 2.313 445 V HA 0.572 4.700 4.120 0.015 0.000 0.278 445 V C 0.199 176.266 176.094 -0.045 0.000 1.017 445 V CA -0.297 61.993 62.300 -0.017 0.000 0.823 445 V CB 0.816 32.675 31.823 0.059 0.000 1.010 445 V HN 0.932 nan 8.190 nan 0.000 0.443 446 T N 3.197 117.715 114.554 -0.060 0.000 2.887 446 T HA 0.766 5.125 4.350 0.015 0.000 0.292 446 T C 0.167 174.842 174.700 -0.041 0.000 1.087 446 T CA 0.104 62.168 62.100 -0.059 0.000 1.009 446 T CB 1.959 70.758 68.868 -0.116 0.000 1.203 446 T HN 0.836 nan 8.240 nan 0.000 0.518 447 G N 0.503 109.293 108.800 -0.016 0.000 2.477 447 G HA2 0.363 4.332 3.960 0.015 0.000 0.304 447 G HA3 0.363 4.332 3.960 0.015 0.000 0.304 447 G C 0.880 175.684 174.900 -0.161 0.000 1.175 447 G CA -0.162 44.913 45.100 -0.041 0.000 0.907 447 G HN 0.823 nan 8.290 nan 0.000 0.509 448 D N 0.347 120.608 120.400 -0.233 0.000 2.182 448 D HA -0.117 4.532 4.640 0.015 0.000 0.201 448 D C 2.040 178.040 176.300 -0.500 0.000 0.986 448 D CA 1.376 55.099 54.000 -0.461 0.000 0.847 448 D CB -0.633 40.010 40.800 -0.261 0.000 0.942 448 D HN 0.459 nan 8.370 nan 0.000 0.467 449 G N 0.616 109.139 108.800 -0.462 0.000 2.434 449 G HA2 -0.226 3.743 3.960 0.015 0.000 0.214 449 G HA3 -0.226 3.743 3.960 0.015 0.000 0.214 449 G C 1.894 176.627 174.900 -0.278 0.000 1.202 449 G CA 1.123 45.671 45.100 -0.921 0.000 0.788 449 G HN 0.339 nan 8.290 nan 0.000 0.539 450 S N -0.219 115.555 115.700 0.122 0.000 2.383 450 S HA -0.146 4.333 4.470 0.015 0.000 0.229 450 S C 2.331 177.100 174.600 0.281 0.000 1.030 450 S CA 1.135 59.557 58.200 0.369 0.000 1.002 450 S CB -0.445 62.899 63.200 0.240 0.000 0.829 450 S HN 0.164 nan 8.310 nan 0.000 0.467 451 V N 1.936 121.885 119.914 0.058 0.000 2.568 451 V HA -0.128 4.000 4.120 0.015 0.000 0.253 451 V C 2.175 178.383 176.094 0.189 0.000 1.072 451 V CA 1.913 64.266 62.300 0.089 0.000 1.084 451 V CB -1.039 30.741 31.823 -0.071 0.000 0.676 451 V HN 0.570 nan 8.190 nan 0.000 0.469 452 G N -1.988 106.878 108.800 0.108 0.000 2.443 452 G HA2 -0.259 3.709 3.960 0.015 0.000 0.219 452 G HA3 -0.259 3.709 3.960 0.015 0.000 0.219 452 G C 1.307 176.290 174.900 0.138 0.000 1.131 452 G CA 0.860 46.039 45.100 0.132 0.000 0.775 452 G HN 0.583 nan 8.290 nan 0.000 0.547 453 Y N 1.155 121.543 120.300 0.148 0.000 2.207 453 Y HA -0.046 4.515 4.550 0.018 0.000 0.287 453 Y C 2.163 178.084 175.900 0.035 0.000 1.156 453 Y CA 1.664 59.830 58.100 0.108 0.000 1.182 453 Y CB 0.382 38.900 38.460 0.097 0.000 0.979 453 Y HN 0.146 nan 8.280 nan 0.000 0.521 454 S N -1.003 114.807 115.700 0.183 0.000 2.902 454 S HA 0.171 4.650 4.470 0.015 0.000 0.250 454 S C 1.165 175.609 174.600 -0.259 0.000 1.046 454 S CA -0.324 57.843 58.200 -0.055 0.000 1.069 454 S CB -0.051 63.078 63.200 -0.117 0.000 0.967 454 S HN 0.338 nan 8.310 nan 0.000 0.530 455 I N 1.910 122.488 120.570 0.012 0.000 2.567 455 I HA -0.111 4.068 4.170 0.015 0.000 0.257 455 I C 2.187 178.300 176.117 -0.006 0.000 1.184 455 I CA 1.030 62.413 61.300 0.139 0.000 1.451 455 I CB -0.097 38.136 38.000 0.388 0.000 1.089 455 I HN 0.512 nan 8.210 nan 0.000 0.441 456 G N 0.057 108.782 108.800 -0.125 0.000 2.535 456 G HA2 -0.206 3.763 3.960 0.015 0.000 0.218 456 G HA3 -0.206 3.763 3.960 0.015 0.000 0.218 456 G C 1.326 175.832 174.900 -0.658 0.000 1.122 456 G CA 0.254 45.118 45.100 -0.393 0.000 0.769 456 G HN 0.354 nan 8.290 nan 0.000 0.549 457 E N 0.221 119.970 120.200 -0.752 0.000 2.418 457 E HA -0.005 4.354 4.350 0.015 0.000 0.197 457 E C 1.784 178.010 176.600 -0.624 0.000 1.026 457 E CA -0.006 55.910 56.400 -0.806 0.000 0.862 457 E CB -0.320 28.698 29.700 -1.136 0.000 0.799 457 E HN 0.613 nan 8.360 nan 0.000 0.518 458 F N 1.339 121.057 119.950 -0.388 0.000 2.161 458 F HA -0.227 4.308 4.527 0.013 0.000 0.300 458 F C 2.247 177.936 175.800 -0.185 0.000 1.089 458 F CA 1.319 59.289 58.000 -0.050 0.000 1.282 458 F CB -0.093 39.012 39.000 0.176 0.000 1.010 458 F HN 0.057 nan 8.300 nan 0.000 0.485 459 D N -0.289 119.849 120.400 -0.436 0.000 2.104 459 D HA -0.167 4.482 4.640 0.015 0.000 0.194 459 D C 2.055 178.305 176.300 -0.083 0.000 0.994 459 D CA 2.036 55.875 54.000 -0.268 0.000 0.830 459 D CB -0.249 40.281 40.800 -0.449 0.000 0.959 459 D HN 0.095 nan 8.370 nan 0.000 0.452 460 T N 0.260 114.733 114.554 -0.134 0.000 2.746 460 T HA -0.098 4.261 4.350 0.015 0.000 0.267 460 T C 2.075 176.789 174.700 0.024 0.000 1.039 460 T CA 0.867 62.939 62.100 -0.047 0.000 1.142 460 T CB -0.328 68.498 68.868 -0.070 0.000 0.866 460 T HN 0.167 nan 8.240 nan 0.000 0.444 461 L N 0.694 121.948 121.223 0.052 0.000 2.042 461 L HA -0.119 4.230 4.340 0.015 0.000 0.210 461 L C 2.672 179.618 176.870 0.126 0.000 1.076 461 L CA 1.085 55.999 54.840 0.123 0.000 0.749 461 L CB -0.805 41.380 42.059 0.209 0.000 0.893 461 L HN 0.167 nan 8.230 nan 0.000 0.432 462 V N -0.338 119.657 119.914 0.136 0.000 2.307 462 V HA -0.228 3.901 4.120 0.015 0.000 0.245 462 V C 2.592 178.741 176.094 0.092 0.000 1.045 462 V CA 1.588 63.964 62.300 0.127 0.000 1.024 462 V CB -0.593 31.323 31.823 0.154 0.000 0.651 462 V HN 0.396 nan 8.190 nan 0.000 0.449 463 R N 0.250 120.795 120.500 0.076 0.000 2.105 463 R HA -0.120 4.229 4.340 0.015 0.000 0.239 463 R C 1.925 178.259 176.300 0.057 0.000 1.135 463 R CA 1.048 57.184 56.100 0.060 0.000 0.967 463 R CB -0.192 30.136 30.300 0.047 0.000 0.861 463 R HN 0.343 nan 8.270 nan 0.000 0.442 464 K N 0.459 120.896 120.400 0.061 0.000 2.374 464 K HA 0.070 4.399 4.320 0.015 0.000 0.196 464 K C 0.055 176.695 176.600 0.067 0.000 1.023 464 K CA 0.152 56.474 56.287 0.059 0.000 1.103 464 K CB 0.473 33.008 32.500 0.060 0.000 0.848 464 K HN 0.218 nan 8.250 nan 0.000 0.528 465 Q N 0.718 120.564 119.800 0.076 0.000 2.453 465 Q HA -0.187 4.162 4.340 0.015 0.000 0.294 465 Q C -0.778 175.273 176.000 0.085 0.000 1.295 465 Q CA 0.382 56.234 55.803 0.081 0.000 0.853 465 Q CB -2.076 26.703 28.738 0.068 0.000 1.193 465 Q HN 0.281 nan 8.270 nan 0.000 0.461 466 L N 2.013 123.293 121.223 0.095 0.000 2.260 466 L HA 0.245 4.594 4.340 0.015 0.000 0.289 466 L C -1.235 175.699 176.870 0.108 0.000 1.057 466 L CA -1.785 53.113 54.840 0.096 0.000 0.811 466 L CB 0.568 42.689 42.059 0.103 0.000 1.184 466 L HN -0.043 nan 8.230 nan 0.000 0.429 467 P HA -0.005 nan 4.420 nan 0.000 0.254 467 P C -0.030 177.326 177.300 0.094 0.000 1.631 467 P CA -0.340 62.821 63.100 0.101 0.000 0.861 467 P CB 0.024 31.775 31.700 0.084 0.000 1.663 468 L N 0.796 122.078 121.223 0.098 0.000 2.540 468 L HA 0.075 4.424 4.340 0.015 0.000 0.276 468 L C 0.068 176.989 176.870 0.086 0.000 1.212 468 L CA 0.306 55.188 54.840 0.069 0.000 0.893 468 L CB -0.219 41.874 42.059 0.057 0.000 1.138 468 L HN -0.034 nan 8.230 nan 0.000 0.491 469 I N 6.014 126.612 120.570 0.047 0.000 2.312 469 I HA 0.234 4.413 4.170 0.015 0.000 0.290 469 I C -0.601 175.525 176.117 0.015 0.000 1.008 469 I CA -0.673 60.663 61.300 0.061 0.000 1.226 469 I CB 1.293 39.310 38.000 0.030 0.000 1.371 469 I HN 0.265 nan 8.210 nan 0.000 0.468 470 V N 8.049 127.997 119.914 0.056 0.000 2.333 470 V HA 0.369 4.498 4.120 0.015 0.000 0.274 470 V C 0.218 176.335 176.094 0.037 0.000 1.028 470 V CA -0.364 61.908 62.300 -0.046 0.000 0.851 470 V CB 1.108 32.858 31.823 -0.123 0.000 1.000 470 V HN 0.482 nan 8.190 nan 0.000 0.456 471 I N 6.259 126.827 120.570 -0.004 0.000 2.312 471 I HA 0.433 4.612 4.170 0.015 0.000 0.290 471 I C -0.301 175.791 176.117 -0.042 0.000 1.008 471 I CA -0.267 61.042 61.300 0.015 0.000 1.226 471 I CB 1.392 39.441 38.000 0.083 0.000 1.371 471 I HN 0.437 nan 8.210 nan 0.000 0.468 472 I N 6.907 127.445 120.570 -0.053 0.000 2.307 472 I HA 0.233 4.412 4.170 0.015 0.000 0.289 472 I C -0.020 176.030 176.117 -0.112 0.000 1.021 472 I CA -0.495 60.752 61.300 -0.089 0.000 1.224 472 I CB 0.888 38.831 38.000 -0.095 0.000 1.376 472 I HN 0.406 nan 8.210 nan 0.000 0.470 473 M N 5.620 125.159 119.600 -0.102 0.000 2.341 473 M HA 0.110 4.599 4.480 0.015 0.000 0.336 473 M C -0.064 176.191 176.300 -0.074 0.000 1.489 473 M CA 0.160 55.400 55.300 -0.100 0.000 1.278 473 M CB -0.593 31.977 32.600 -0.050 0.000 1.657 473 M HN 0.399 nan 8.290 nan 0.000 0.455 474 N N 3.921 122.586 118.700 -0.058 0.000 2.527 474 N HA 0.136 4.885 4.740 0.015 0.000 0.236 474 N C -0.144 175.368 175.510 0.004 0.000 0.999 474 N CA -0.187 52.858 53.050 -0.009 0.000 0.935 474 N CB 0.384 38.915 38.487 0.074 0.000 1.132 474 N HN 0.433 nan 8.380 nan 0.000 0.511 475 N N 2.386 121.083 118.700 -0.005 0.000 2.273 475 N HA 0.034 4.783 4.740 0.015 0.000 0.231 475 N C -0.528 174.994 175.510 0.021 0.000 1.134 475 N CA -0.185 52.871 53.050 0.009 0.000 0.856 475 N CB -0.015 38.476 38.487 0.007 0.000 1.068 475 N HN 0.434 nan 8.380 nan 0.000 0.510 476 Q N -0.337 119.477 119.800 0.024 0.000 2.434 476 Q HA -0.210 4.139 4.340 0.015 0.000 0.299 476 Q C -0.990 175.008 176.000 -0.003 0.000 1.286 476 Q CA 1.148 56.964 55.803 0.023 0.000 0.872 476 Q CB -2.240 26.521 28.738 0.038 0.000 1.193 476 Q HN 0.827 nan 8.270 nan 0.000 0.466 477 S N -2.766 112.907 115.700 -0.046 0.000 2.597 477 S HA 0.473 4.952 4.470 0.015 0.000 0.274 477 S C -1.104 173.457 174.600 -0.065 0.000 1.132 477 S CA -1.151 57.035 58.200 -0.025 0.000 0.835 477 S CB 0.501 63.743 63.200 0.070 0.000 1.092 477 S HN 0.332 nan 8.310 nan 0.000 0.457 478 W N 2.046 123.381 121.300 0.059 0.000 2.351 478 W HA 0.474 5.138 4.660 0.007 0.000 0.421 478 W C 1.490 178.026 176.519 0.029 0.000 1.000 478 W CA -0.038 57.338 57.345 0.052 0.000 1.610 478 W CB 0.122 29.618 29.460 0.061 0.000 1.700 478 W HN 1.066 nan 8.180 nan 0.000 0.351 479 G N 1.657 110.561 108.800 0.173 0.000 2.414 479 G HA2 -0.226 3.743 3.960 0.015 0.000 0.215 479 G HA3 -0.226 3.743 3.960 0.015 0.000 0.215 479 G C 1.672 176.520 174.900 -0.086 0.000 1.188 479 G CA 1.003 46.110 45.100 0.013 0.000 0.783 479 G HN 0.537 nan 8.290 nan 0.000 0.537 480 A N 0.735 123.529 122.820 -0.044 0.000 1.972 480 A HA -0.033 4.295 4.320 0.015 0.000 0.219 480 A C 2.609 180.256 177.584 0.106 0.000 1.169 480 A CA 2.715 54.727 52.037 -0.041 0.000 0.635 480 A CB -1.015 17.981 19.000 -0.006 0.000 0.810 480 A HN 0.485 nan 8.150 nan 0.000 0.446 481 T N -1.290 113.343 114.554 0.132 0.000 2.821 481 T HA -0.069 4.290 4.350 0.015 0.000 0.267 481 T C 1.870 176.715 174.700 0.241 0.000 1.046 481 T CA 1.198 63.394 62.100 0.160 0.000 1.139 481 T CB -0.508 68.410 68.868 0.083 0.000 0.871 481 T HN 0.291 nan 8.240 nan 0.000 0.454 482 L N 0.382 121.741 121.223 0.226 0.000 2.017 482 L HA -0.136 4.213 4.340 0.015 0.000 0.208 482 L C 2.829 179.876 176.870 0.295 0.000 1.073 482 L CA 1.684 56.668 54.840 0.239 0.000 0.745 482 L CB -0.444 41.748 42.059 0.221 0.000 0.894 482 L HN 0.387 nan 8.230 nan 0.000 0.432 483 H N -1.692 117.459 119.070 0.135 0.000 2.352 483 H HA -0.266 4.298 4.556 0.013 0.000 0.299 483 H C 2.081 177.471 175.328 0.103 0.000 1.097 483 H CA 1.660 57.768 56.048 0.101 0.000 1.311 483 H CB -0.152 29.664 29.762 0.090 0.000 1.377 483 H HN 0.433 nan 8.280 nan 0.000 0.504 484 F N 2.138 122.185 119.950 0.161 0.000 2.065 484 F HA -0.290 4.244 4.527 0.012 0.000 0.298 484 F C 2.548 178.387 175.800 0.065 0.000 1.112 484 F CA 1.677 59.729 58.000 0.086 0.000 1.212 484 F CB -0.172 38.863 39.000 0.059 0.000 0.975 484 F HN 0.111 nan 8.300 nan 0.000 0.476 485 Q N -0.233 119.678 119.800 0.185 0.000 2.061 485 Q HA -0.281 4.068 4.340 0.015 0.000 0.204 485 Q C 2.243 178.219 176.000 -0.040 0.000 0.984 485 Q CA 2.128 57.972 55.803 0.068 0.000 0.846 485 Q CB -0.427 28.398 28.738 0.146 0.000 0.902 485 Q HN 0.617 nan 8.270 nan 0.000 0.421 486 Q N -0.229 119.571 119.800 0.001 0.000 2.084 486 Q HA -0.154 4.195 4.340 0.015 0.000 0.202 486 Q C 1.899 177.846 176.000 -0.089 0.000 0.978 486 Q CA 0.893 56.677 55.803 -0.032 0.000 0.844 486 Q CB 0.071 28.800 28.738 -0.014 0.000 0.898 486 Q HN 0.233 nan 8.270 nan 0.000 0.426 487 L N -0.719 120.429 121.223 -0.125 0.000 2.162 487 L HA 0.057 4.406 4.340 0.015 0.000 0.205 487 L C 1.927 178.665 176.870 -0.221 0.000 1.086 487 L CA 1.461 56.212 54.840 -0.148 0.000 0.778 487 L CB -0.797 41.192 42.059 -0.116 0.000 0.928 487 L HN 0.105 nan 8.230 nan 0.000 0.446 488 A N -2.296 120.281 122.820 -0.405 0.000 2.197 488 A HA 0.264 4.593 4.320 0.015 0.000 0.210 488 A C 1.810 179.191 177.584 -0.339 0.000 1.180 488 A CA 0.779 52.519 52.037 -0.495 0.000 0.846 488 A CB 0.191 18.542 19.000 -1.082 0.000 0.884 488 A HN 0.152 nan 8.150 nan 0.000 0.487 489 V N -1.816 117.942 119.914 -0.261 0.000 3.054 489 V HA 0.555 4.684 4.120 0.015 0.000 0.227 489 V C 0.991 177.038 176.094 -0.078 0.000 1.252 489 V CA 0.616 62.837 62.300 -0.132 0.000 1.279 489 V CB 0.024 31.800 31.823 -0.077 0.000 1.118 489 V HN 0.806 nan 8.190 nan 0.000 0.504 490 G N 0.198 108.958 108.800 -0.066 0.000 2.358 490 G HA2 0.320 4.289 3.960 0.015 0.000 0.301 490 G HA3 0.320 4.289 3.960 0.015 0.000 0.301 490 G C -2.804 172.083 174.900 -0.022 0.000 1.539 490 G CA 0.191 45.267 45.100 -0.040 0.000 0.893 490 G HN -0.035 nan 8.290 nan 0.000 0.636 491 P HA -0.029 nan 4.420 nan 0.000 0.223 491 P C 0.798 178.102 177.300 0.008 0.000 1.151 491 P CA 0.855 63.952 63.100 -0.005 0.000 0.787 491 P CB 0.304 31.998 31.700 -0.009 0.000 0.788 492 N N -0.574 118.130 118.700 0.007 0.000 2.268 492 N HA 0.057 4.806 4.740 0.015 0.000 0.204 492 N C 0.763 176.286 175.510 0.021 0.000 1.124 492 N CA -0.014 53.044 53.050 0.014 0.000 0.838 492 N CB 0.030 38.523 38.487 0.010 0.000 0.994 492 N HN -0.131 nan 8.380 nan 0.000 0.489 493 R N 0.105 120.619 120.500 0.022 0.000 2.586 493 R HA 0.268 4.617 4.340 0.015 0.000 0.336 493 R C -0.549 175.782 176.300 0.052 0.000 1.060 493 R CA -0.224 55.895 56.100 0.031 0.000 1.079 493 R CB -0.179 30.132 30.300 0.019 0.000 1.317 493 R HN -0.038 nan 8.270 nan 0.000 0.568 494 V N 1.541 121.490 119.914 0.058 0.000 2.470 494 V HA 0.237 4.366 4.120 0.015 0.000 0.276 494 V C 0.473 176.615 176.094 0.079 0.000 1.040 494 V CA 0.319 62.667 62.300 0.080 0.000 1.008 494 V CB 1.288 33.161 31.823 0.083 0.000 0.990 494 V HN 0.181 nan 8.190 nan 0.000 0.477 495 T N 3.248 117.857 114.554 0.092 0.000 3.435 495 T HA 0.540 4.899 4.350 0.015 0.000 0.344 495 T C 0.399 175.156 174.700 0.095 0.000 1.211 495 T CA 0.608 62.758 62.100 0.083 0.000 1.104 495 T CB 0.816 69.723 68.868 0.064 0.000 1.196 495 T HN 1.531 nan 8.240 nan 0.000 0.471 496 G N 2.903 111.765 108.800 0.105 0.000 2.162 496 G HA2 -0.292 3.677 3.960 0.015 0.000 0.260 496 G HA3 -0.292 3.677 3.960 0.015 0.000 0.260 496 G C 0.701 175.721 174.900 0.200 0.000 0.976 496 G CA 1.438 46.610 45.100 0.120 0.000 0.655 496 G HN 1.601 nan 8.290 nan 0.000 0.533 497 T N -2.951 111.741 114.554 0.230 0.000 2.975 497 T HA 0.412 4.771 4.350 0.015 0.000 0.257 497 T C 0.974 175.859 174.700 0.309 0.000 1.003 497 T CA -0.072 62.237 62.100 0.349 0.000 0.932 497 T CB 0.531 69.555 68.868 0.259 0.000 1.087 497 T HN 0.452 nan 8.240 nan 0.000 0.512 498 R N 1.110 121.727 120.500 0.195 0.000 2.539 498 R HA 0.554 4.903 4.340 0.015 0.000 0.275 498 R C -0.631 175.713 176.300 0.073 0.000 1.077 498 R CA -0.237 55.933 56.100 0.116 0.000 1.097 498 R CB 0.782 31.135 30.300 0.088 0.000 1.018 498 R HN 0.305 nan 8.270 nan 0.000 0.483 499 L N 2.782 124.004 121.223 -0.001 0.000 2.502 499 L HA 0.245 4.594 4.340 0.015 0.000 0.249 499 L C -0.281 176.581 176.870 -0.014 0.000 1.446 499 L CA 0.035 54.846 54.840 -0.048 0.000 0.887 499 L CB 1.068 43.007 42.059 -0.201 0.000 1.126 499 L HN 0.574 nan 8.230 nan 0.000 0.509 500 E N 1.608 121.811 120.200 0.004 0.000 2.341 500 E HA 0.191 4.550 4.350 0.015 0.000 0.279 500 E C -0.506 176.085 176.600 -0.016 0.000 1.395 500 E CA -0.189 56.214 56.400 0.005 0.000 1.648 500 E CB 0.298 30.008 29.700 0.016 0.000 1.524 500 E HN 0.374 nan 8.360 nan 0.000 0.462 501 N N -0.068 118.605 118.700 -0.044 0.000 2.598 501 N HA 0.488 5.237 4.740 0.015 0.000 0.263 501 N C -1.241 174.150 175.510 -0.198 0.000 1.254 501 N CA 0.159 53.156 53.050 -0.089 0.000 0.863 501 N CB 1.884 40.330 38.487 -0.068 0.000 1.586 501 N HN 0.185 nan 8.380 nan 0.000 0.491 502 G N 0.550 109.195 108.800 -0.259 0.000 2.907 502 G HA2 0.051 4.020 3.960 0.015 0.000 0.686 502 G HA3 0.051 4.020 3.960 0.015 0.000 0.686 502 G C -0.981 173.550 174.900 -0.616 0.000 1.115 502 G CA -0.315 44.517 45.100 -0.447 0.000 0.760 502 G HN 0.719 nan 8.290 nan 0.000 0.620 503 S N 1.639 117.019 115.700 -0.533 0.000 2.466 503 S HA 0.559 5.038 4.470 0.015 0.000 0.313 503 S C 1.362 175.639 174.600 -0.538 0.000 1.078 503 S CA -0.416 57.455 58.200 -0.548 0.000 1.115 503 S CB 0.027 62.897 63.200 -0.550 0.000 1.006 503 S HN 0.565 nan 8.310 nan 0.000 0.487 504 Y N 3.680 123.899 120.300 -0.134 0.000 2.224 504 Y HA -0.153 4.406 4.550 0.015 0.000 0.289 504 Y C 2.643 178.487 175.900 -0.093 0.000 1.146 504 Y CA 1.922 59.998 58.100 -0.040 0.000 1.182 504 Y CB -0.642 37.853 38.460 0.059 0.000 0.983 504 Y HN 0.843 nan 8.280 nan 0.000 0.524 505 H N -2.127 116.928 119.070 -0.025 0.000 2.387 505 H HA 0.011 4.575 4.556 0.014 0.000 0.299 505 H C 2.374 177.621 175.328 -0.135 0.000 1.090 505 H CA 1.252 57.245 56.048 -0.091 0.000 1.332 505 H CB -1.106 28.617 29.762 -0.065 0.000 1.386 505 H HN 0.346 nan 8.280 nan 0.000 0.516 506 G N 1.233 109.651 108.800 -0.636 0.000 2.422 506 G HA2 -0.171 3.798 3.960 0.015 0.000 0.218 506 G HA3 -0.171 3.798 3.960 0.015 0.000 0.218 506 G C 1.905 176.646 174.900 -0.266 0.000 1.146 506 G CA 1.293 46.140 45.100 -0.422 0.000 0.769 506 G HN 0.370 nan 8.290 nan 0.000 0.547 507 V N 1.576 121.361 119.914 -0.215 0.000 2.295 507 V HA -0.140 3.989 4.120 0.015 0.000 0.246 507 V C 3.343 179.388 176.094 -0.082 0.000 1.049 507 V CA 2.050 64.281 62.300 -0.115 0.000 1.024 507 V CB -0.916 30.944 31.823 0.061 0.000 0.648 507 V HN 0.471 nan 8.190 nan 0.000 0.447 508 A N 0.050 122.737 122.820 -0.222 0.000 1.908 508 A HA -0.178 4.151 4.320 0.015 0.000 0.218 508 A C 2.418 179.896 177.584 -0.176 0.000 1.181 508 A CA 2.304 54.043 52.037 -0.498 0.000 0.627 508 A CB -0.856 17.488 19.000 -1.093 0.000 0.818 508 A HN 0.597 nan 8.150 nan 0.000 0.445 509 A N -0.342 122.381 122.820 -0.162 0.000 1.933 509 A HA 0.186 4.515 4.320 0.015 0.000 0.218 509 A C 2.429 179.960 177.584 -0.090 0.000 1.175 509 A CA 1.938 53.912 52.037 -0.104 0.000 0.628 509 A CB -0.876 18.056 19.000 -0.112 0.000 0.814 509 A HN 1.104 nan 8.150 nan 0.000 0.444 510 A N -1.687 121.039 122.820 -0.157 0.000 2.067 510 A HA 0.118 4.446 4.320 0.015 0.000 0.219 510 A C 1.560 179.011 177.584 -0.222 0.000 1.158 510 A CA 1.022 52.925 52.037 -0.224 0.000 0.661 510 A CB -0.575 18.222 19.000 -0.338 0.000 0.801 510 A HN 0.436 nan 8.150 nan 0.000 0.452 511 F N -0.788 119.162 119.950 -0.001 0.000 2.797 511 F HA 0.333 4.869 4.527 0.014 0.000 0.302 511 F C 1.859 177.691 175.800 0.053 0.000 1.130 511 F CA 0.324 58.356 58.000 0.054 0.000 1.387 511 F CB 0.008 39.091 39.000 0.138 0.000 1.107 511 F HN 0.354 nan 8.300 nan 0.000 0.577 512 G N -0.029 108.865 108.800 0.157 0.000 2.157 512 G HA2 -0.082 3.887 3.960 0.015 0.000 0.239 512 G HA3 -0.082 3.887 3.960 0.015 0.000 0.239 512 G C 0.327 175.287 174.900 0.099 0.000 0.982 512 G CA -0.120 45.042 45.100 0.103 0.000 0.650 512 G HN 0.619 nan 8.290 nan 0.000 0.527 513 A N -0.049 122.835 122.820 0.107 0.000 2.302 513 A HA 0.624 4.953 4.320 0.015 0.000 0.285 513 A C 0.068 177.660 177.584 0.014 0.000 1.105 513 A CA -0.218 51.878 52.037 0.098 0.000 0.816 513 A CB 0.499 19.590 19.000 0.152 0.000 1.067 513 A HN 0.184 nan 8.150 nan 0.000 0.489 514 D N 0.913 121.335 120.400 0.037 0.000 2.417 514 D HA 0.419 5.067 4.640 0.015 0.000 0.250 514 D C 0.415 176.684 176.300 -0.053 0.000 1.166 514 D CA 1.063 55.039 54.000 -0.041 0.000 0.881 514 D CB 1.062 41.873 40.800 0.019 0.000 1.164 514 D HN 0.664 nan 8.370 nan 0.000 0.467 515 G N 1.569 110.265 108.800 -0.173 0.000 2.415 515 G HA2 0.557 4.526 3.960 0.015 0.000 0.327 515 G HA3 0.557 4.526 3.960 0.015 0.000 0.327 515 G C -1.332 173.450 174.900 -0.198 0.000 1.182 515 G CA -0.521 44.542 45.100 -0.063 0.000 0.924 515 G HN 0.343 nan 8.290 nan 0.000 0.470 516 Y N 0.020 120.355 120.300 0.057 0.000 2.512 516 Y HA 0.503 5.062 4.550 0.014 0.000 0.348 516 Y C -0.388 175.451 175.900 -0.102 0.000 0.990 516 Y CA -1.058 57.050 58.100 0.013 0.000 1.033 516 Y CB 2.893 41.382 38.460 0.047 0.000 1.259 516 Y HN 0.619 nan 8.280 nan 0.000 0.461 517 H N 2.248 121.219 119.070 -0.165 0.000 2.744 517 H HA 0.692 5.257 4.556 0.014 0.000 0.339 517 H C -1.454 173.800 175.328 -0.124 0.000 1.004 517 H CA -1.254 54.575 56.048 -0.365 0.000 1.257 517 H CB 1.098 30.419 29.762 -0.736 0.000 1.552 517 H HN 0.574 nan 8.280 nan 0.000 0.522 518 V N 2.276 122.165 119.914 -0.041 0.000 3.102 518 V HA 0.625 4.754 4.120 0.015 0.000 0.312 518 V C -0.418 175.585 176.094 -0.150 0.000 1.135 518 V CA -0.575 61.676 62.300 -0.082 0.000 1.022 518 V CB 2.641 34.489 31.823 0.040 0.000 1.056 518 V HN 0.825 nan 8.190 nan 0.000 0.436 519 D N -0.255 120.085 120.400 -0.100 0.000 2.583 519 D HA 0.238 4.887 4.640 0.015 0.000 0.282 519 D C 0.027 176.313 176.300 -0.023 0.000 1.485 519 D CA 0.756 54.702 54.000 -0.090 0.000 0.834 519 D CB -0.066 40.655 40.800 -0.132 0.000 1.258 519 D HN 1.167 nan 8.370 nan 0.000 0.470 520 S N -1.689 114.024 115.700 0.022 0.000 2.625 520 S HA 0.463 4.942 4.470 0.015 0.000 0.271 520 S C 0.816 175.480 174.600 0.107 0.000 1.161 520 S CA -0.290 57.940 58.200 0.050 0.000 0.820 520 S CB 1.475 64.690 63.200 0.025 0.000 1.137 520 S HN -0.189 nan 8.310 nan 0.000 0.470 521 V N 1.253 121.216 119.914 0.081 0.000 2.287 521 V HA -0.175 3.954 4.120 0.015 0.000 0.248 521 V C 2.870 178.992 176.094 0.047 0.000 1.053 521 V CA 2.584 64.929 62.300 0.074 0.000 1.027 521 V CB -1.260 30.556 31.823 -0.012 0.000 0.646 521 V HN 0.892 nan 8.190 nan 0.000 0.447 522 E N 0.312 120.527 120.200 0.024 0.000 2.051 522 E HA -0.199 4.160 4.350 0.015 0.000 0.192 522 E C 2.516 179.137 176.600 0.035 0.000 0.991 522 E CA 1.428 57.835 56.400 0.012 0.000 0.799 522 E CB -0.675 29.026 29.700 0.002 0.000 0.748 522 E HN 0.988 nan 8.360 nan 0.000 0.449 523 S N 0.474 116.209 115.700 0.058 0.000 2.368 523 S HA -0.146 4.333 4.470 0.015 0.000 0.225 523 S C 1.919 176.603 174.600 0.140 0.000 1.030 523 S CA 1.311 59.556 58.200 0.075 0.000 0.999 523 S CB -0.590 62.639 63.200 0.049 0.000 0.844 523 S HN 0.384 nan 8.310 nan 0.000 0.459 524 F N 3.112 123.044 119.950 -0.030 0.000 2.102 524 F HA 0.025 4.563 4.527 0.017 0.000 0.298 524 F C 2.481 178.253 175.800 -0.047 0.000 1.105 524 F CA 1.017 58.993 58.000 -0.041 0.000 1.239 524 F CB -1.234 37.749 39.000 -0.028 0.000 0.991 524 F HN 0.217 nan 8.300 nan 0.000 0.474 525 S N 0.657 116.282 115.700 -0.124 0.000 2.374 525 S HA -0.220 4.259 4.470 0.015 0.000 0.227 525 S C 2.361 176.894 174.600 -0.111 0.000 1.037 525 S CA 1.334 59.417 58.200 -0.195 0.000 1.024 525 S CB -0.966 62.168 63.200 -0.110 0.000 0.861 525 S HN 0.535 nan 8.310 nan 0.000 0.456 526 A N 1.468 124.263 122.820 -0.042 0.000 1.898 526 A HA 0.150 4.479 4.320 0.015 0.000 0.216 526 A C 2.373 179.925 177.584 -0.053 0.000 1.181 526 A CA 1.691 53.717 52.037 -0.019 0.000 0.620 526 A CB -1.112 17.902 19.000 0.023 0.000 0.819 526 A HN 0.521 nan 8.150 nan 0.000 0.442 527 A N -0.595 122.180 122.820 -0.075 0.000 1.877 527 A HA -0.013 4.316 4.320 0.015 0.000 0.216 527 A C 2.132 179.466 177.584 -0.417 0.000 1.186 527 A CA 1.735 53.592 52.037 -0.299 0.000 0.620 527 A CB -0.631 18.217 19.000 -0.253 0.000 0.822 527 A HN 0.624 nan 8.150 nan 0.000 0.443 528 L N -0.162 120.889 121.223 -0.286 0.000 2.017 528 L HA -0.046 4.303 4.340 0.015 0.000 0.208 528 L C 2.703 179.354 176.870 -0.366 0.000 1.073 528 L CA 2.154 56.788 54.840 -0.343 0.000 0.745 528 L CB -0.954 40.822 42.059 -0.470 0.000 0.894 528 L HN 0.357 nan 8.230 nan 0.000 0.432 529 A N -1.028 121.627 122.820 -0.274 0.000 1.883 529 A HA -0.327 4.002 4.320 0.015 0.000 0.217 529 A C 2.338 179.853 177.584 -0.115 0.000 1.186 529 A CA 2.087 54.019 52.037 -0.175 0.000 0.624 529 A CB -0.772 18.208 19.000 -0.032 0.000 0.822 529 A HN 0.660 nan 8.150 nan 0.000 0.444 530 Q N -0.787 118.973 119.800 -0.066 0.000 2.079 530 Q HA -0.079 4.269 4.340 0.015 0.000 0.200 530 Q C 2.198 178.267 176.000 0.116 0.000 0.974 530 Q CA 1.526 57.369 55.803 0.067 0.000 0.840 530 Q CB -0.358 28.475 28.738 0.158 0.000 0.898 530 Q HN 0.606 nan 8.270 nan 0.000 0.430 531 A N 0.632 123.425 122.820 -0.045 0.000 1.940 531 A HA -0.161 4.168 4.320 0.015 0.000 0.219 531 A C 1.993 179.585 177.584 0.014 0.000 1.176 531 A CA 1.203 53.251 52.037 0.019 0.000 0.631 531 A CB -0.658 18.273 19.000 -0.116 0.000 0.814 531 A HN 0.467 nan 8.150 nan 0.000 0.446 532 L N -1.057 120.108 121.223 -0.097 0.000 2.217 532 L HA -0.091 4.258 4.340 0.015 0.000 0.211 532 L C 2.836 179.649 176.870 -0.094 0.000 1.107 532 L CA 0.707 55.479 54.840 -0.114 0.000 0.783 532 L CB -0.309 41.613 42.059 -0.227 0.000 0.919 532 L HN 0.431 nan 8.230 nan 0.000 0.442 533 A N -1.716 121.026 122.820 -0.131 0.000 2.168 533 A HA -0.028 4.301 4.320 0.015 0.000 0.215 533 A C 0.595 177.890 177.584 -0.480 0.000 1.152 533 A CA 0.669 52.529 52.037 -0.294 0.000 0.716 533 A CB -0.333 18.450 19.000 -0.361 0.000 0.794 533 A HN 0.329 nan 8.150 nan 0.000 0.465 534 H N -0.756 118.329 119.070 0.025 0.000 2.637 534 H HA 0.248 4.813 4.556 0.015 0.000 0.363 534 H C -1.007 174.347 175.328 0.043 0.000 1.131 534 H CA -0.939 55.133 56.048 0.040 0.000 1.183 534 H CB 1.061 30.859 29.762 0.059 0.000 1.637 534 H HN 0.124 nan 8.280 nan 0.000 0.531 535 N N 2.996 121.789 118.700 0.155 0.000 3.124 535 N HA 0.144 4.893 4.740 0.015 0.000 0.284 535 N C -0.307 175.276 175.510 0.121 0.000 1.209 535 N CA -0.009 53.106 53.050 0.109 0.000 1.149 535 N CB 0.147 38.681 38.487 0.077 0.000 1.434 535 N HN 0.397 nan 8.380 nan 0.000 0.529 536 R N 0.565 121.149 120.500 0.139 0.000 2.725 536 R HA 0.473 4.821 4.340 0.015 0.000 0.277 536 R C -2.675 173.715 176.300 0.150 0.000 0.987 536 R CA -1.656 54.524 56.100 0.133 0.000 0.901 536 R CB 2.044 32.420 30.300 0.126 0.000 1.207 536 R HN 0.102 nan 8.270 nan 0.000 0.463 537 P HA 0.185 nan 4.420 nan 0.000 0.271 537 P C -1.256 176.185 177.300 0.234 0.000 1.218 537 P CA -0.200 63.025 63.100 0.208 0.000 0.780 537 P CB 1.177 33.024 31.700 0.246 0.000 0.901 538 A N 1.916 124.900 122.820 0.272 0.000 2.539 538 A HA 0.592 4.920 4.320 0.015 0.000 0.296 538 A C -1.275 176.503 177.584 0.323 0.000 1.073 538 A CA -0.551 51.662 52.037 0.292 0.000 0.700 538 A CB 1.428 20.611 19.000 0.304 0.000 1.296 538 A HN 0.636 nan 8.150 nan 0.000 0.405 539 C N 2.790 122.247 119.300 0.262 0.000 2.340 539 C HA 0.768 5.237 4.460 0.015 0.000 0.323 539 C C -0.871 174.282 174.990 0.271 0.000 1.260 539 C CA -0.561 58.595 59.018 0.230 0.000 1.464 539 C CB -1.101 26.608 27.740 -0.051 0.000 2.156 539 C HN 0.605 nan 8.230 nan 0.000 0.476 540 I N 6.351 127.042 120.570 0.202 0.000 2.359 540 I HA 0.302 4.481 4.170 0.015 0.000 0.284 540 I C 0.134 176.291 176.117 0.067 0.000 1.018 540 I CA 0.052 61.444 61.300 0.154 0.000 1.173 540 I CB 0.711 38.766 38.000 0.092 0.000 1.326 540 I HN 0.715 nan 8.210 nan 0.000 0.462 541 N N 6.241 124.992 118.700 0.086 0.000 2.437 541 N HA 0.319 5.068 4.740 0.015 0.000 0.243 541 N C -1.077 174.467 175.510 0.056 0.000 1.041 541 N CA -0.405 52.690 53.050 0.076 0.000 0.940 541 N CB 0.957 39.496 38.487 0.086 0.000 1.133 541 N HN 0.291 nan 8.380 nan 0.000 0.506 542 V N 3.000 122.865 119.914 -0.083 0.000 2.311 542 V HA 0.366 4.495 4.120 0.015 0.000 0.275 542 V C 0.403 176.435 176.094 -0.103 0.000 1.022 542 V CA -0.993 61.173 62.300 -0.223 0.000 0.830 542 V CB 0.769 32.227 31.823 -0.608 0.000 1.012 542 V HN 0.737 nan 8.190 nan 0.000 0.452 543 A N 5.819 128.617 122.820 -0.038 0.000 2.444 543 A HA 0.578 4.906 4.320 0.015 0.000 0.273 543 A C 0.067 177.618 177.584 -0.055 0.000 1.136 543 A CA -0.052 51.980 52.037 -0.007 0.000 0.799 543 A CB 0.034 19.032 19.000 -0.003 0.000 1.081 543 A HN 1.333 nan 8.150 nan 0.000 0.509 544 V N 0.121 120.003 119.914 -0.053 0.000 2.914 544 V HA 0.904 5.033 4.120 0.015 0.000 0.314 544 V C 0.382 176.439 176.094 -0.061 0.000 1.084 544 V CA -0.682 61.572 62.300 -0.078 0.000 0.963 544 V CB 1.115 32.865 31.823 -0.121 0.000 1.025 544 V HN 1.539 nan 8.190 nan 0.000 0.432 545 A N 2.029 124.795 122.820 -0.090 0.000 2.483 545 A HA 0.500 4.829 4.320 0.015 0.000 0.238 545 A C 0.648 178.201 177.584 -0.051 0.000 1.070 545 A CA 0.326 52.322 52.037 -0.068 0.000 0.770 545 A CB 0.392 19.329 19.000 -0.104 0.000 1.008 545 A HN 1.486 nan 8.150 nan 0.000 0.497 546 L N 0.613 121.852 121.223 0.027 0.000 2.253 546 L HA 0.143 4.492 4.340 0.015 0.000 0.205 546 L C 1.418 178.435 176.870 0.245 0.000 1.078 546 L CA 1.759 56.666 54.840 0.111 0.000 0.805 546 L CB -0.531 41.599 42.059 0.118 0.000 0.963 546 L HN 0.719 nan 8.230 nan 0.000 0.459 547 D N 0.158 120.647 120.400 0.149 0.000 2.149 547 D HA -0.062 4.587 4.640 0.015 0.000 0.198 547 D C -1.421 174.959 176.300 0.134 0.000 0.990 547 D CA 0.777 54.849 54.000 0.119 0.000 0.839 547 D CB -1.567 39.265 40.800 0.053 0.000 0.948 547 D HN 0.325 nan 8.370 nan 0.000 0.460 548 P HA 0.054 nan 4.420 nan 0.000 0.266 548 P C -0.177 177.427 177.300 0.507 0.000 1.195 548 P CA 0.282 63.533 63.100 0.252 0.000 0.768 548 P CB 0.522 32.201 31.700 -0.036 0.000 0.838 549 I N 5.429 126.228 120.570 0.381 0.000 2.307 549 I HA 0.247 4.426 4.170 0.015 0.000 0.289 549 I C -1.895 174.165 176.117 -0.094 0.000 1.021 549 I CA -2.565 58.852 61.300 0.195 0.000 1.224 549 I CB 1.386 39.405 38.000 0.032 0.000 1.376 549 I HN 0.168 nan 8.210 nan 0.000 0.470 550 P HA 0.135 nan 4.420 nan 0.000 0.268 550 P C -2.272 174.638 177.300 -0.649 0.000 1.205 550 P CA -1.298 60.923 63.100 -1.465 0.000 0.771 550 P CB 0.303 31.034 31.700 -1.616 0.000 0.858 551 P HA -0.211 nan 4.420 nan 0.000 0.216 551 P C 1.438 178.571 177.300 -0.278 0.000 1.154 551 P CA 1.698 64.618 63.100 -0.300 0.000 0.865 551 P CB -0.021 31.539 31.700 -0.233 0.000 0.789 552 E N -0.510 119.521 120.200 -0.281 0.000 2.150 552 E HA -0.204 4.155 4.350 0.015 0.000 0.193 552 E C 2.010 178.512 176.600 -0.163 0.000 0.985 552 E CA 0.855 57.137 56.400 -0.197 0.000 0.814 552 E CB -0.390 29.232 29.700 -0.130 0.000 0.752 552 E HN 0.479 nan 8.360 nan 0.000 0.466 553 E N 0.800 120.881 120.200 -0.198 0.000 2.038 553 E HA -0.189 4.170 4.350 0.015 0.000 0.195 553 E C 2.237 178.800 176.600 -0.061 0.000 1.000 553 E CA 1.008 57.344 56.400 -0.106 0.000 0.803 553 E CB -0.075 29.576 29.700 -0.081 0.000 0.750 553 E HN 0.132 nan 8.360 nan 0.000 0.448 554 L N 0.862 122.030 121.223 -0.091 0.000 1.970 554 L HA -0.144 4.205 4.340 0.015 0.000 0.212 554 L C 1.768 178.599 176.870 -0.065 0.000 1.071 554 L CA 0.815 55.614 54.840 -0.068 0.000 0.751 554 L CB -0.594 41.414 42.059 -0.085 0.000 0.889 554 L HN 0.185 nan 8.230 nan 0.000 0.432 555 I N 0.000 120.488 120.570 -0.137 0.000 2.984 555 I HA 0.000 4.179 4.170 0.015 0.000 0.288 555 I CA 0.000 61.212 61.300 -0.147 0.000 1.566 555 I CB 0.000 37.778 38.000 -0.371 0.000 1.214 555 I HN 0.000 nan 8.210 nan 0.000 0.494