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 3a2k_1_B DATA FIRST_RESID 1 DATA SEQUENCE MIDKVRAFIH RHQLLSEGAA VIVGVSGGPD SLALLHVFLS LRDEWKLQVI DATA SEQUENCE AAHVDHMFRG RESEEEMEFV KRFcVERRIL cETAQIDVPA FQRSAGLGAQ DATA SEQUENCE EAARICRYRF FAELMEKHQA GYVAVGHHGD DQVETILMRL VRGSTSKGYA DATA SEQUENCE GIPVKRPFHG GYLIRPFLAV SRAEIEAYCR QMGLSPRCDP SNEKDDYTRN DATA SEQUENCE RFRHHIVPLL RQENPRLHER FQQYSEMMAE DEQFLEELAA DALNKVMEKQ DATA SEQUENCE HRDAALSIGP FLELPRPLQR RVLQLLLLRL YGGVPPTLTS VHIGHILMLC DATA SEQUENCE ERGRPSGMID LPKGLKVIRS YDRCLFTFDA ESGEKGYWFE LPVPALLPLP DATA SEQUENCE NGYAIISEFG EHYPRKQAGN DWFVVDPASV SLPLRVRTRR RGDRMVLKGT DATA SEQUENCE GGTKKLKEIF IEAKIPRMER DRWPIVEDAD GRILWVPGLK KSAFEAQNRG DATA SEQUENCE QARYILLQYQ AM 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.355 176.300 0.091 0.000 1.140 1 M CA 0.000 55.326 55.300 0.043 0.000 0.988 1 M CB 0.000 32.629 32.600 0.049 0.000 1.302 2 I N -0.431 120.190 120.570 0.086 0.000 3.969 2 I HA -0.452 3.719 4.170 0.001 0.000 0.133 2 I C 0.777 176.968 176.117 0.123 0.000 0.412 2 I CA 2.262 63.643 61.300 0.135 0.000 1.227 2 I CB -1.497 36.610 38.000 0.179 0.000 1.082 2 I HN 0.851 nan 8.210 nan 0.000 0.204 3 D N -0.260 120.209 120.400 0.114 0.000 2.526 3 D HA 0.084 4.724 4.640 0.001 0.000 0.293 3 D C 1.539 177.911 176.300 0.120 0.000 1.081 3 D CA 0.411 54.477 54.000 0.110 0.000 0.924 3 D CB -0.409 40.440 40.800 0.082 0.000 1.498 3 D HN 0.280 nan 8.370 nan 0.000 0.497 4 K N 0.562 121.026 120.400 0.106 0.000 2.020 4 K HA -0.120 4.201 4.320 0.001 0.000 0.212 4 K C 2.062 178.752 176.600 0.150 0.000 1.050 4 K CA 1.776 58.127 56.287 0.106 0.000 0.929 4 K CB -0.213 32.333 32.500 0.076 0.000 0.714 4 K HN 0.117 nan 8.250 nan 0.000 0.443 5 V N 1.122 121.129 119.914 0.156 0.000 2.809 5 V HA -0.147 3.973 4.120 0.001 0.000 0.256 5 V C 2.191 178.444 176.094 0.266 0.000 1.080 5 V CA 1.393 63.829 62.300 0.226 0.000 1.102 5 V CB -0.344 31.612 31.823 0.222 0.000 0.705 5 V HN 0.268 nan 8.190 nan 0.000 0.475 6 R N -0.208 120.420 120.500 0.213 0.000 2.090 6 R HA 0.004 4.345 4.340 0.001 0.000 0.228 6 R C 2.303 178.752 176.300 0.250 0.000 1.110 6 R CA 1.403 57.643 56.100 0.234 0.000 0.973 6 R CB -0.497 29.928 30.300 0.208 0.000 0.869 6 R HN 0.578 nan 8.270 nan 0.000 0.440 7 A N 1.026 123.970 122.820 0.207 0.000 1.851 7 A HA -0.234 4.087 4.320 0.001 0.000 0.216 7 A C 1.952 179.653 177.584 0.196 0.000 1.195 7 A CA 1.481 53.623 52.037 0.176 0.000 0.622 7 A CB -1.009 18.072 19.000 0.135 0.000 0.831 7 A HN 0.465 nan 8.150 nan 0.000 0.444 8 F N 1.095 121.071 119.950 0.044 0.000 2.111 8 F HA -0.267 4.261 4.527 0.001 0.000 0.300 8 F C 2.085 177.892 175.800 0.012 0.000 1.088 8 F CA 1.711 59.713 58.000 0.002 0.000 1.243 8 F CB -0.193 38.870 39.000 0.104 0.000 0.996 8 F HN 0.199 nan 8.300 nan 0.000 0.483 9 I N -0.812 119.844 120.570 0.144 0.000 2.208 9 I HA -0.318 3.853 4.170 0.001 0.000 0.245 9 I C 2.386 178.471 176.117 -0.053 0.000 1.097 9 I CA 1.948 63.268 61.300 0.033 0.000 1.363 9 I CB -1.787 36.281 38.000 0.113 0.000 1.051 9 I HN 0.238 nan 8.210 nan 0.000 0.413 10 H N 0.678 119.718 119.070 -0.049 0.000 2.307 10 H HA -0.004 4.553 4.556 0.002 0.000 0.303 10 H C 2.466 177.708 175.328 -0.143 0.000 1.073 10 H CA 1.276 57.282 56.048 -0.069 0.000 1.338 10 H CB 0.120 29.893 29.762 0.018 0.000 1.389 10 H HN -0.049 nan 8.280 nan 0.000 0.503 11 R N 0.228 120.686 120.500 -0.071 0.000 2.162 11 R HA -0.188 4.152 4.340 0.001 0.000 0.245 11 R C 0.987 177.072 176.300 -0.359 0.000 1.129 11 R CA 2.064 57.989 56.100 -0.293 0.000 0.940 11 R CB -0.649 29.308 30.300 -0.572 0.000 0.875 11 R HN 0.585 nan 8.270 nan 0.000 0.437 12 H N 0.105 119.040 119.070 -0.226 0.000 2.517 12 H HA 0.115 4.671 4.556 0.001 0.000 0.282 12 H C 0.835 176.020 175.328 -0.237 0.000 1.023 12 H CA -0.048 55.838 56.048 -0.270 0.000 1.169 12 H CB 0.111 29.615 29.762 -0.430 0.000 1.454 12 H HN 0.160 nan 8.280 nan 0.000 0.556 13 Q N 0.329 120.030 119.800 -0.166 0.000 1.085 13 Q HA -0.300 4.041 4.340 0.001 0.000 0.438 13 Q C 1.231 177.127 176.000 -0.174 0.000 1.024 13 Q CA 1.225 56.898 55.803 -0.217 0.000 0.456 13 Q CB -0.688 27.937 28.738 -0.187 0.000 5.216 13 Q HN 0.526 nan 8.270 nan 0.000 0.509 14 L N -1.238 119.900 121.223 -0.142 0.000 4.497 14 L HA -0.349 3.991 4.340 0.001 0.000 0.457 14 L C 1.277 178.037 176.870 -0.183 0.000 1.059 14 L CA 1.179 55.978 54.840 -0.068 0.000 0.959 14 L CB -0.953 41.125 42.059 0.032 0.000 1.738 14 L HN 0.534 nan 8.230 nan 0.000 1.114 15 L N -2.362 118.748 121.223 -0.187 0.000 2.202 15 L HA 0.045 4.385 4.340 0.001 0.000 0.205 15 L C 1.497 178.414 176.870 0.080 0.000 1.083 15 L CA 1.017 55.745 54.840 -0.186 0.000 0.790 15 L CB -0.077 41.912 42.059 -0.117 0.000 0.942 15 L HN 0.186 nan 8.230 nan 0.000 0.452 16 S N 0.624 116.291 115.700 -0.054 0.000 2.222 16 S HA 0.277 4.747 4.470 0.001 0.000 0.173 16 S C -0.324 174.109 174.600 -0.278 0.000 1.466 16 S CA -0.395 57.700 58.200 -0.175 0.000 1.184 16 S CB -0.297 62.647 63.200 -0.427 0.000 1.168 16 S HN 0.225 nan 8.310 nan 0.000 0.475 17 E N 1.260 121.439 120.200 -0.036 0.000 2.768 17 E HA 0.471 4.822 4.350 0.001 0.000 0.290 17 E C 0.197 176.711 176.600 -0.143 0.000 1.100 17 E CA -0.404 55.930 56.400 -0.111 0.000 0.768 17 E CB 1.081 30.750 29.700 -0.052 0.000 1.501 17 E HN 0.663 nan 8.360 nan 0.000 0.384 18 G N 1.080 109.772 108.800 -0.180 0.000 1.876 18 G HA2 0.215 4.175 3.960 0.001 0.000 0.059 18 G HA3 0.215 4.175 3.960 0.001 0.000 0.059 18 G C 0.019 174.820 174.900 -0.164 0.000 0.755 18 G CA 0.398 45.376 45.100 -0.203 0.000 1.092 18 G HN 0.578 nan 8.290 nan 0.000 0.322 19 A N -1.359 121.334 122.820 -0.211 0.000 2.558 19 A HA 0.794 5.115 4.320 0.001 0.000 0.153 19 A C 0.501 178.011 177.584 -0.125 0.000 1.751 19 A CA 1.481 53.441 52.037 -0.129 0.000 1.222 19 A CB -0.305 18.643 19.000 -0.088 0.000 1.413 19 A HN 2.306 nan 8.150 nan 0.000 0.398 20 A N 0.297 123.002 122.820 -0.192 0.000 2.375 20 A HA 0.696 5.017 4.320 0.001 0.000 0.291 20 A C -1.028 176.492 177.584 -0.106 0.000 1.160 20 A CA -0.327 51.635 52.037 -0.126 0.000 0.747 20 A CB 1.238 20.173 19.000 -0.109 0.000 1.170 20 A HN 1.148 nan 8.150 nan 0.000 0.458 21 V N 3.755 123.670 119.914 0.001 0.000 2.823 21 V HA 0.665 4.786 4.120 0.001 0.000 0.312 21 V C -1.075 175.059 176.094 0.067 0.000 1.072 21 V CA -0.738 61.634 62.300 0.120 0.000 0.937 21 V CB 2.026 34.076 31.823 0.378 0.000 1.013 21 V HN 0.732 nan 8.190 nan 0.000 0.430 22 I N 5.776 126.391 120.570 0.076 0.000 2.437 22 I HA 0.361 4.531 4.170 0.001 0.000 0.279 22 I C -0.526 175.650 176.117 0.099 0.000 1.028 22 I CA -0.602 60.712 61.300 0.023 0.000 1.142 22 I CB 1.777 39.760 38.000 -0.028 0.000 1.266 22 I HN 0.371 nan 8.210 nan 0.000 0.461 23 V N 6.898 126.827 119.914 0.024 0.000 2.334 23 V HA 0.654 4.775 4.120 0.001 0.000 0.267 23 V C 0.653 176.810 176.094 0.105 0.000 1.040 23 V CA -0.064 62.195 62.300 -0.069 0.000 0.866 23 V CB 0.808 32.347 31.823 -0.473 0.000 1.019 23 V HN 0.734 nan 8.190 nan 0.000 0.468 24 G N 5.024 114.022 108.800 0.330 0.000 2.539 24 G HA2 0.544 4.504 3.960 0.001 0.000 0.258 24 G HA3 0.544 4.504 3.960 0.001 0.000 0.258 24 G C -0.956 174.109 174.900 0.276 0.000 1.202 24 G CA -0.331 45.080 45.100 0.517 0.000 0.851 24 G HN 0.998 nan 8.290 nan 0.000 0.556 25 V N 0.293 120.369 119.914 0.270 0.000 2.891 25 V HA 0.486 4.606 4.120 0.001 0.000 0.304 25 V C -0.053 176.031 176.094 -0.017 0.000 1.171 25 V CA -0.475 61.883 62.300 0.097 0.000 0.943 25 V CB 1.904 33.753 31.823 0.043 0.000 1.037 25 V HN 0.913 nan 8.190 nan 0.000 0.427 26 S N 2.143 117.804 115.700 -0.065 0.000 3.609 26 S HA 0.474 4.945 4.470 0.001 0.000 0.182 26 S C 1.457 175.970 174.600 -0.146 0.000 0.942 26 S CA 0.436 58.594 58.200 -0.071 0.000 1.310 26 S CB 0.140 63.464 63.200 0.206 0.000 1.020 26 S HN 1.092 nan 8.310 nan 0.000 0.841 27 G N 0.729 109.547 108.800 0.030 0.000 2.911 27 G HA2 0.123 4.083 3.960 0.001 0.000 0.193 27 G HA3 0.123 4.083 3.960 0.001 0.000 0.193 27 G C 0.792 175.686 174.900 -0.011 0.000 1.364 27 G CA 1.523 46.653 45.100 0.050 0.000 0.798 27 G HN 0.815 nan 8.290 nan 0.000 0.749 28 G N -1.315 107.472 108.800 -0.023 0.000 2.830 28 G HA2 0.390 4.351 3.960 0.001 0.000 0.177 28 G HA3 0.390 4.351 3.960 0.001 0.000 0.177 28 G C -1.200 173.661 174.900 -0.065 0.000 1.649 28 G CA 0.763 45.832 45.100 -0.052 0.000 0.867 28 G HN 0.328 nan 8.290 nan 0.000 0.780 29 P HA -0.172 nan 4.420 nan 0.000 0.219 29 P C 0.872 178.119 177.300 -0.089 0.000 1.159 29 P CA 2.093 65.139 63.100 -0.090 0.000 0.944 29 P CB -0.049 31.594 31.700 -0.094 0.000 0.792 30 D N -0.838 119.511 120.400 -0.086 0.000 2.078 30 D HA -0.128 4.513 4.640 0.001 0.000 0.193 30 D C 2.150 178.445 176.300 -0.009 0.000 0.990 30 D CA 2.021 55.968 54.000 -0.089 0.000 0.827 30 D CB -1.222 39.544 40.800 -0.058 0.000 0.975 30 D HN 0.251 nan 8.370 nan 0.000 0.451 31 S N 0.714 116.418 115.700 0.007 0.000 2.382 31 S HA -0.107 4.363 4.470 0.001 0.000 0.228 31 S C 2.293 176.929 174.600 0.060 0.000 1.027 31 S CA 0.663 58.887 58.200 0.041 0.000 0.991 31 S CB -0.777 62.416 63.200 -0.012 0.000 0.823 31 S HN 0.220 nan 8.310 nan 0.000 0.469 32 L N 1.534 122.757 121.223 0.000 0.000 2.056 32 L HA -0.039 4.302 4.340 0.001 0.000 0.207 32 L C 3.201 180.108 176.870 0.062 0.000 1.078 32 L CA 1.150 55.967 54.840 -0.039 0.000 0.749 32 L CB -1.036 40.920 42.059 -0.172 0.000 0.901 32 L HN 0.435 nan 8.230 nan 0.000 0.433 33 A N 0.257 123.127 122.820 0.084 0.000 1.917 33 A HA -0.238 4.083 4.320 0.001 0.000 0.219 33 A C 2.305 180.146 177.584 0.428 0.000 1.182 33 A CA 1.655 53.816 52.037 0.206 0.000 0.633 33 A CB -0.768 18.280 19.000 0.079 0.000 0.819 33 A HN 0.389 nan 8.150 nan 0.000 0.448 34 L N -0.610 120.912 121.223 0.498 0.000 1.924 34 L HA -0.227 4.114 4.340 0.001 0.000 0.222 34 L C 2.444 179.528 176.870 0.356 0.000 1.081 34 L CA 1.778 56.954 54.840 0.560 0.000 0.780 34 L CB -0.419 41.847 42.059 0.345 0.000 0.891 34 L HN 0.355 nan 8.230 nan 0.000 0.434 35 L N -0.201 121.182 121.223 0.267 0.000 2.113 35 L HA -0.455 3.886 4.340 0.001 0.000 0.237 35 L C 2.507 179.663 176.870 0.477 0.000 1.113 35 L CA 2.758 57.801 54.840 0.338 0.000 0.837 35 L CB -1.705 40.599 42.059 0.407 0.000 0.929 35 L HN 0.615 nan 8.230 nan 0.000 0.449 36 H N -0.654 118.674 119.070 0.429 0.000 2.261 36 H HA -0.196 4.360 4.556 0.001 0.000 0.290 36 H C 2.075 177.647 175.328 0.407 0.000 1.081 36 H CA 3.077 59.393 56.048 0.447 0.000 1.196 36 H CB -0.096 29.920 29.762 0.423 0.000 1.350 36 H HN 0.160 nan 8.280 nan 0.000 0.498 37 V N -0.088 120.232 119.914 0.676 0.000 2.469 37 V HA -0.236 3.885 4.120 0.001 0.000 0.251 37 V C 2.292 178.600 176.094 0.356 0.000 1.064 37 V CA 1.824 64.415 62.300 0.485 0.000 1.066 37 V CB -1.005 31.017 31.823 0.332 0.000 0.667 37 V HN 0.298 nan 8.190 nan 0.000 0.461 38 F N 0.084 120.136 119.950 0.170 0.000 2.031 38 F HA -0.087 4.439 4.527 -0.001 0.000 0.295 38 F C 2.247 178.114 175.800 0.111 0.000 1.133 38 F CA 1.356 59.425 58.000 0.114 0.000 1.188 38 F CB -0.606 38.457 39.000 0.104 0.000 0.974 38 F HN -0.039 nan 8.300 nan 0.000 0.473 39 L N -0.248 121.146 121.223 0.285 0.000 2.011 39 L HA -0.411 3.929 4.340 0.001 0.000 0.225 39 L C 2.637 179.542 176.870 0.058 0.000 1.084 39 L CA 2.251 57.170 54.840 0.131 0.000 0.791 39 L CB -0.851 41.256 42.059 0.080 0.000 0.898 39 L HN 0.306 nan 8.230 nan 0.000 0.440 40 S N -0.601 115.137 115.700 0.063 0.000 2.370 40 S HA -0.175 4.296 4.470 0.001 0.000 0.226 40 S C 1.764 176.381 174.600 0.029 0.000 1.033 40 S CA 0.994 59.219 58.200 0.043 0.000 1.011 40 S CB -0.488 62.764 63.200 0.085 0.000 0.852 40 S HN 0.322 nan 8.310 nan 0.000 0.457 41 L N 0.705 121.949 121.223 0.036 0.000 2.554 41 L HA 0.236 4.576 4.340 0.001 0.000 0.226 41 L C 2.577 179.455 176.870 0.014 0.000 1.137 41 L CA 0.695 55.547 54.840 0.021 0.000 0.863 41 L CB -0.743 41.349 42.059 0.056 0.000 0.985 41 L HN 0.361 nan 8.230 nan 0.000 0.451 42 R N -0.055 120.425 120.500 -0.034 0.000 2.112 42 R HA -0.071 4.269 4.340 0.001 0.000 0.216 42 R C 1.564 177.875 176.300 0.018 0.000 1.080 42 R CA 0.769 56.852 56.100 -0.029 0.000 0.996 42 R CB 0.206 30.469 30.300 -0.063 0.000 0.902 42 R HN 0.318 nan 8.270 nan 0.000 0.449 43 D N 0.736 121.139 120.400 0.005 0.000 2.084 43 D HA -0.206 4.434 4.640 0.001 0.000 0.194 43 D C 1.609 177.900 176.300 -0.014 0.000 0.990 43 D CA 1.132 55.130 54.000 -0.003 0.000 0.826 43 D CB -0.329 40.463 40.800 -0.014 0.000 0.971 43 D HN 0.284 nan 8.370 nan 0.000 0.453 44 E N -1.116 119.053 120.200 -0.051 0.000 2.267 44 E HA -0.171 4.180 4.350 0.001 0.000 0.197 44 E C 0.485 176.958 176.600 -0.211 0.000 0.998 44 E CA 0.771 57.069 56.400 -0.170 0.000 0.830 44 E CB -0.026 29.540 29.700 -0.224 0.000 0.751 44 E HN 0.466 nan 8.360 nan 0.000 0.491 45 W N 0.508 121.791 121.300 -0.029 0.000 2.075 45 W HA 0.236 4.897 4.660 0.002 0.000 0.332 45 W C -0.520 175.975 176.519 -0.040 0.000 0.905 45 W CA -0.712 56.617 57.345 -0.027 0.000 2.126 45 W CB 0.913 30.354 29.460 -0.032 0.000 1.143 45 W HN -0.202 nan 8.180 nan 0.000 0.542 46 K N 1.781 122.299 120.400 0.196 0.000 3.315 46 K HA -0.173 4.147 4.320 0.001 0.000 0.270 46 K C -1.973 174.654 176.600 0.044 0.000 1.139 46 K CA 0.550 56.903 56.287 0.110 0.000 0.806 46 K CB -1.299 31.281 32.500 0.133 0.000 1.300 46 K HN 0.150 nan 8.250 nan 0.000 0.475 47 L N 1.744 122.983 121.223 0.027 0.000 2.549 47 L HA 0.282 4.622 4.340 0.001 0.000 0.259 47 L C -0.372 176.497 176.870 -0.001 0.000 0.934 47 L CA 0.025 54.862 54.840 -0.005 0.000 0.865 47 L CB 1.605 43.653 42.059 -0.018 0.000 1.352 47 L HN 0.419 nan 8.230 nan 0.000 0.410 48 Q N 2.727 122.525 119.800 -0.005 0.000 2.390 48 Q HA 0.651 4.991 4.340 0.001 0.000 0.249 48 Q C -1.375 174.646 176.000 0.034 0.000 0.996 48 Q CA -0.423 55.387 55.803 0.011 0.000 0.899 48 Q CB 1.314 30.054 28.738 0.003 0.000 1.216 48 Q HN 0.459 nan 8.270 nan 0.000 0.465 49 V N 5.601 125.554 119.914 0.066 0.000 2.607 49 V HA 0.392 4.513 4.120 0.001 0.000 0.289 49 V C 0.185 176.313 176.094 0.057 0.000 1.053 49 V CA -0.402 61.974 62.300 0.127 0.000 0.996 49 V CB 1.185 33.122 31.823 0.191 0.000 0.995 49 V HN 0.804 nan 8.190 nan 0.000 0.476 50 I N 3.372 123.966 120.570 0.040 0.000 2.540 50 I HA 0.454 4.625 4.170 0.001 0.000 0.280 50 I C 0.318 176.428 176.117 -0.012 0.000 1.083 50 I CA -0.402 60.874 61.300 -0.039 0.000 1.080 50 I CB 1.509 39.386 38.000 -0.206 0.000 1.205 50 I HN 0.722 nan 8.210 nan 0.000 0.459 51 A N 4.906 127.746 122.820 0.033 0.000 2.445 51 A HA 0.754 5.074 4.320 0.001 0.000 0.242 51 A C 0.163 177.779 177.584 0.053 0.000 1.075 51 A CA 0.068 52.147 52.037 0.069 0.000 0.777 51 A CB 0.419 19.491 19.000 0.120 0.000 1.013 51 A HN 0.855 nan 8.150 nan 0.000 0.493 52 A N 2.113 124.983 122.820 0.083 0.000 2.497 52 A HA 0.600 4.921 4.320 0.001 0.000 0.280 52 A C -0.787 176.898 177.584 0.169 0.000 1.065 52 A CA -0.331 51.750 52.037 0.074 0.000 0.781 52 A CB 0.561 19.492 19.000 -0.116 0.000 1.289 52 A HN 1.132 nan 8.150 nan 0.000 0.415 53 H N 1.965 121.063 119.070 0.046 0.000 2.667 53 H HA 0.696 5.253 4.556 0.001 0.000 0.353 53 H C -1.908 173.341 175.328 -0.132 0.000 1.072 53 H CA -0.737 55.320 56.048 0.015 0.000 1.214 53 H CB 1.944 31.729 29.762 0.038 0.000 1.600 53 H HN 0.531 nan 8.280 nan 0.000 0.527 54 V N 4.307 124.043 119.914 -0.297 0.000 2.581 54 V HA 0.165 4.286 4.120 0.001 0.000 0.303 54 V C -0.775 174.828 176.094 -0.817 0.000 1.041 54 V CA -0.440 61.494 62.300 -0.610 0.000 0.907 54 V CB 1.912 33.461 31.823 -0.456 0.000 0.994 54 V HN 0.902 nan 8.190 nan 0.000 0.442 55 D N 3.714 123.662 120.400 -0.754 0.000 2.303 55 D HA 0.419 5.060 4.640 0.001 0.000 0.236 55 D C -0.063 175.949 176.300 -0.480 0.000 1.068 55 D CA -0.296 53.303 54.000 -0.669 0.000 0.830 55 D CB 0.712 41.266 40.800 -0.411 0.000 1.109 55 D HN 0.719 nan 8.370 nan 0.000 0.496 56 H N 2.036 121.108 119.070 0.003 0.000 2.497 56 H HA 0.341 4.897 4.556 0.001 0.000 0.348 56 H C -0.257 175.112 175.328 0.067 0.000 1.335 56 H CA -0.997 55.083 56.048 0.054 0.000 1.395 56 H CB 0.720 30.558 29.762 0.126 0.000 1.658 56 H HN 0.332 nan 8.280 nan 0.000 0.613 57 M N 1.434 121.183 119.600 0.248 0.000 2.144 57 M HA 0.205 4.685 4.480 0.001 0.000 0.356 57 M C -0.765 175.730 176.300 0.326 0.000 1.217 57 M CA 0.001 55.411 55.300 0.184 0.000 1.087 57 M CB -0.144 32.535 32.600 0.131 0.000 1.609 57 M HN 0.740 nan 8.290 nan 0.000 0.467 58 F N 2.738 122.747 119.950 0.098 0.000 2.782 58 F HA 0.207 4.734 4.527 0.000 0.000 0.452 58 F C 0.258 176.105 175.800 0.079 0.000 0.911 58 F CA 0.332 58.385 58.000 0.088 0.000 0.631 58 F CB -0.587 38.474 39.000 0.102 0.000 1.570 58 F HN 0.727 nan 8.300 nan 0.000 0.481 59 R N 1.329 121.458 120.500 -0.618 0.000 3.701 59 R HA -0.005 4.336 4.340 0.001 0.000 0.524 59 R C 1.194 177.269 176.300 -0.375 0.000 0.241 59 R CA 2.711 58.556 56.100 -0.426 0.000 1.632 59 R CB -1.587 28.619 30.300 -0.158 0.000 0.952 59 R HN 2.127 nan 8.270 nan 0.000 0.587 60 G N -0.722 107.980 108.800 -0.164 0.000 2.512 60 G HA2 -0.402 3.559 3.960 0.001 0.000 0.254 60 G HA3 -0.402 3.559 3.960 0.001 0.000 0.254 60 G C 0.487 175.342 174.900 -0.076 0.000 1.199 60 G CA 1.341 46.389 45.100 -0.085 0.000 0.941 60 G HN 0.888 nan 8.290 nan 0.000 0.569 61 R N 0.641 121.121 120.500 -0.033 0.000 2.152 61 R HA 0.007 4.347 4.340 0.001 0.000 0.232 61 R C 1.920 178.216 176.300 -0.007 0.000 1.117 61 R CA 2.205 58.305 56.100 0.000 0.000 0.981 61 R CB -0.337 29.977 30.300 0.024 0.000 0.870 61 R HN 0.478 nan 8.270 nan 0.000 0.451 62 E N 1.801 121.960 120.200 -0.069 0.000 2.007 62 E HA -0.171 4.180 4.350 0.001 0.000 0.194 62 E C 2.221 178.780 176.600 -0.067 0.000 0.999 62 E CA 2.055 58.413 56.400 -0.069 0.000 0.811 62 E CB -0.374 29.216 29.700 -0.183 0.000 0.762 62 E HN 0.445 nan 8.360 nan 0.000 0.450 63 S N 0.494 116.082 115.700 -0.187 0.000 2.368 63 S HA -0.302 4.168 4.470 0.001 0.000 0.226 63 S C 1.942 176.525 174.600 -0.028 0.000 1.044 63 S CA 1.848 59.976 58.200 -0.119 0.000 1.062 63 S CB -0.382 62.718 63.200 -0.166 0.000 0.931 63 S HN 0.246 nan 8.310 nan 0.000 0.440 64 E N 1.042 121.232 120.200 -0.016 0.000 2.008 64 E HA -0.048 4.302 4.350 0.001 0.000 0.191 64 E C 2.429 179.094 176.600 0.109 0.000 0.986 64 E CA 1.416 57.831 56.400 0.024 0.000 0.807 64 E CB -0.240 29.469 29.700 0.014 0.000 0.766 64 E HN 0.691 nan 8.360 nan 0.000 0.450 65 E N 0.883 121.183 120.200 0.166 0.000 2.033 65 E HA -0.267 4.084 4.350 0.001 0.000 0.199 65 E C 2.080 178.926 176.600 0.410 0.000 1.011 65 E CA 1.540 58.159 56.400 0.365 0.000 0.815 65 E CB -0.132 29.704 29.700 0.228 0.000 0.755 65 E HN 0.254 nan 8.360 nan 0.000 0.451 66 E N 0.494 120.828 120.200 0.224 0.000 2.055 66 E HA -0.304 4.047 4.350 0.001 0.000 0.209 66 E C 2.121 178.892 176.600 0.285 0.000 1.036 66 E CA 1.866 58.394 56.400 0.213 0.000 0.849 66 E CB -0.274 29.544 29.700 0.196 0.000 0.767 66 E HN 0.231 nan 8.360 nan 0.000 0.461 67 M N 0.879 120.644 119.600 0.274 0.000 2.082 67 M HA -0.266 4.215 4.480 0.001 0.000 0.258 67 M C 1.774 178.157 176.300 0.139 0.000 1.069 67 M CA 1.916 57.342 55.300 0.210 0.000 1.102 67 M CB 0.027 32.641 32.600 0.024 0.000 1.336 67 M HN -0.006 nan 8.290 nan 0.000 0.404 68 E N -0.790 119.455 120.200 0.074 0.000 2.208 68 E HA -0.100 4.251 4.350 0.001 0.000 0.193 68 E C 1.521 178.046 176.600 -0.125 0.000 0.988 68 E CA 1.185 57.542 56.400 -0.072 0.000 0.828 68 E CB -0.120 29.459 29.700 -0.201 0.000 0.763 68 E HN 0.560 nan 8.360 nan 0.000 0.478 69 F N -0.065 119.927 119.950 0.069 0.000 2.710 69 F HA -0.067 4.460 4.527 0.001 0.000 0.298 69 F C 2.097 177.957 175.800 0.100 0.000 1.137 69 F CA 0.317 58.359 58.000 0.069 0.000 1.444 69 F CB 0.047 39.068 39.000 0.034 0.000 1.111 69 F HN -0.015 nan 8.300 nan 0.000 0.580 70 V N -1.698 118.366 119.914 0.250 0.000 2.346 70 V HA -0.135 3.986 4.120 0.001 0.000 0.244 70 V C 2.312 178.539 176.094 0.222 0.000 1.037 70 V CA 1.085 63.530 62.300 0.241 0.000 1.029 70 V CB -0.582 31.374 31.823 0.221 0.000 0.663 70 V HN 0.066 nan 8.190 nan 0.000 0.454 71 K N 1.913 122.396 120.400 0.138 0.000 2.015 71 K HA -0.245 4.075 4.320 0.001 0.000 0.216 71 K C 2.389 179.035 176.600 0.076 0.000 1.052 71 K CA 2.647 58.980 56.287 0.077 0.000 0.937 71 K CB -0.754 31.755 32.500 0.015 0.000 0.719 71 K HN 0.767 nan 8.250 nan 0.000 0.446 72 R N -0.077 120.461 120.500 0.064 0.000 2.285 72 R HA -0.062 4.279 4.340 0.001 0.000 0.213 72 R C 2.050 178.455 176.300 0.175 0.000 1.068 72 R CA 0.989 57.130 56.100 0.069 0.000 1.004 72 R CB -0.386 29.920 30.300 0.011 0.000 0.873 72 R HN 0.110 nan 8.270 nan 0.000 0.467 73 F N 1.177 121.165 119.950 0.063 0.000 2.262 73 F HA 0.092 4.619 4.527 0.000 0.000 0.292 73 F C 2.033 177.872 175.800 0.065 0.000 1.081 73 F CA -0.049 57.999 58.000 0.080 0.000 1.355 73 F CB -0.331 38.734 39.000 0.109 0.000 1.069 73 F HN -0.015 nan 8.300 nan 0.000 0.506 74 c N 0.207 118.827 118.600 0.033 0.000 2.401 74 c HA -0.185 4.385 4.570 0.001 0.000 0.276 74 c C 2.928 176.954 174.090 -0.106 0.000 1.233 74 c CA 1.481 57.775 56.329 -0.058 0.000 1.753 74 c CB -1.378 41.149 42.510 0.029 0.000 2.029 74 c HN 0.488 nan 8.230 nan 0.000 0.478 75 V N -0.095 119.786 119.914 -0.054 0.000 2.270 75 V HA -0.189 3.931 4.120 0.001 0.000 0.245 75 V C 2.010 178.051 176.094 -0.088 0.000 1.043 75 V CA 2.128 64.396 62.300 -0.053 0.000 1.014 75 V CB -1.260 30.551 31.823 -0.020 0.000 0.645 75 V HN 0.530 nan 8.190 nan 0.000 0.447 76 E N 0.359 120.503 120.200 -0.094 0.000 2.393 76 E HA -0.110 4.241 4.350 0.001 0.000 0.201 76 E C 1.226 177.704 176.600 -0.204 0.000 1.025 76 E CA 0.851 57.193 56.400 -0.098 0.000 0.856 76 E CB -0.066 29.638 29.700 0.008 0.000 0.771 76 E HN 0.604 nan 8.360 nan 0.000 0.526 77 R N -0.064 120.250 120.500 -0.310 0.000 2.617 77 R HA 0.208 4.549 4.340 0.001 0.000 0.432 77 R C -0.759 175.436 176.300 -0.174 0.000 1.018 77 R CA -0.304 55.634 56.100 -0.270 0.000 1.077 77 R CB 0.575 30.626 30.300 -0.415 0.000 1.394 77 R HN -0.015 nan 8.270 nan 0.000 0.608 78 R N 1.047 121.475 120.500 -0.120 0.000 3.022 78 R HA -0.169 4.172 4.340 0.001 0.000 0.248 78 R C -0.629 175.634 176.300 -0.062 0.000 0.874 78 R CA 0.832 56.889 56.100 -0.071 0.000 0.626 78 R CB -1.294 28.976 30.300 -0.051 0.000 1.255 78 R HN 0.360 nan 8.270 nan 0.000 0.496 79 I N 1.708 122.240 120.570 -0.064 0.000 2.499 79 I HA 0.117 4.288 4.170 0.001 0.000 0.288 79 I C -0.037 176.074 176.117 -0.009 0.000 1.048 79 I CA -1.299 59.981 61.300 -0.034 0.000 1.062 79 I CB 1.769 39.743 38.000 -0.043 0.000 1.238 79 I HN 0.045 nan 8.210 nan 0.000 0.426 80 L N 7.230 128.457 121.223 0.005 0.000 2.584 80 L HA -0.036 4.305 4.340 0.001 0.000 0.272 80 L C 0.057 176.938 176.870 0.020 0.000 1.195 80 L CA 0.614 55.465 54.840 0.019 0.000 0.920 80 L CB 0.322 42.403 42.059 0.036 0.000 1.173 80 L HN 0.743 nan 8.230 nan 0.000 0.489 81 c N 5.577 124.196 118.600 0.032 0.000 2.626 81 c HA 0.309 4.880 4.570 0.001 0.000 0.356 81 c C 0.609 174.733 174.090 0.056 0.000 1.398 81 c CA -0.883 55.476 56.329 0.050 0.000 1.678 81 c CB -1.392 41.151 42.510 0.056 0.000 2.430 81 c HN 0.880 nan 8.230 nan 0.000 0.561 82 E N 2.230 122.461 120.200 0.051 0.000 2.734 82 E HA 0.017 4.368 4.350 0.001 0.000 0.235 82 E C 0.386 177.058 176.600 0.119 0.000 1.107 82 E CA 0.891 57.338 56.400 0.078 0.000 0.951 82 E CB 0.243 29.967 29.700 0.040 0.000 0.955 82 E HN 0.646 nan 8.360 nan 0.000 0.515 83 T N 2.630 117.231 114.554 0.077 0.000 2.944 83 T HA 0.861 5.211 4.350 0.001 0.000 0.284 83 T C -0.474 174.180 174.700 -0.078 0.000 1.010 83 T CA 0.011 62.107 62.100 -0.006 0.000 1.025 83 T CB 1.594 70.439 68.868 -0.038 0.000 1.079 83 T HN 0.623 nan 8.240 nan 0.000 0.516 84 A N 1.055 123.699 122.820 -0.293 0.000 2.467 84 A HA 0.800 5.121 4.320 0.001 0.000 0.301 84 A C -1.857 175.462 177.584 -0.442 0.000 1.126 84 A CA -0.784 51.015 52.037 -0.397 0.000 0.632 84 A CB 1.587 20.162 19.000 -0.709 0.000 1.331 84 A HN 0.726 nan 8.150 nan 0.000 0.482 85 Q N 0.071 119.648 119.800 -0.372 0.000 2.468 85 Q HA 0.591 4.932 4.340 0.001 0.000 0.263 85 Q C -2.388 173.483 176.000 -0.216 0.000 0.979 85 Q CA -0.484 55.131 55.803 -0.312 0.000 0.932 85 Q CB 1.459 30.053 28.738 -0.240 0.000 1.462 85 Q HN 0.764 nan 8.270 nan 0.000 0.403 86 I N 3.660 124.125 120.570 -0.174 0.000 2.468 86 I HA 0.264 4.435 4.170 0.001 0.000 0.285 86 I C -0.944 175.163 176.117 -0.018 0.000 1.039 86 I CA -0.546 60.707 61.300 -0.079 0.000 1.074 86 I CB 2.013 39.984 38.000 -0.048 0.000 1.228 86 I HN 0.730 nan 8.210 nan 0.000 0.436 87 D N 5.301 125.699 120.400 -0.003 0.000 2.525 87 D HA 0.052 4.693 4.640 0.001 0.000 0.229 87 D C 1.317 177.659 176.300 0.069 0.000 1.202 87 D CA 0.367 54.390 54.000 0.039 0.000 0.828 87 D CB 0.879 41.690 40.800 0.019 0.000 1.008 87 D HN 0.399 nan 8.370 nan 0.000 0.493 88 V N -2.470 117.489 119.914 0.074 0.000 3.331 88 V HA 0.230 4.351 4.120 0.001 0.000 0.332 88 V C -1.505 174.677 176.094 0.147 0.000 1.341 88 V CA -0.749 61.629 62.300 0.131 0.000 1.218 88 V CB 0.204 32.095 31.823 0.112 0.000 1.152 88 V HN -0.175 nan 8.190 nan 0.000 0.445 89 P HA -0.221 nan 4.420 nan 0.000 0.216 89 P C 2.010 179.383 177.300 0.122 0.000 1.157 89 P CA 2.921 66.096 63.100 0.124 0.000 0.880 89 P CB -0.026 31.753 31.700 0.133 0.000 0.791 90 A N -2.395 120.503 122.820 0.130 0.000 2.019 90 A HA -0.170 4.151 4.320 0.001 0.000 0.219 90 A C 2.000 179.652 177.584 0.114 0.000 1.164 90 A CA 1.403 53.507 52.037 0.112 0.000 0.644 90 A CB -1.608 17.461 19.000 0.116 0.000 0.805 90 A HN 0.194 nan 8.150 nan 0.000 0.449 91 F N -1.319 118.653 119.950 0.037 0.000 2.731 91 F HA 0.136 4.664 4.527 0.001 0.000 0.298 91 F C 2.215 178.036 175.800 0.035 0.000 1.106 91 F CA 0.787 58.806 58.000 0.032 0.000 1.329 91 F CB 0.292 39.309 39.000 0.028 0.000 1.100 91 F HN 0.270 nan 8.300 nan 0.000 0.592 92 Q N 0.931 120.854 119.800 0.206 0.000 2.049 92 Q HA -0.098 4.243 4.340 0.001 0.000 0.198 92 Q C 1.955 177.998 176.000 0.072 0.000 0.971 92 Q CA 1.762 57.650 55.803 0.141 0.000 0.833 92 Q CB -0.116 28.695 28.738 0.122 0.000 0.896 92 Q HN 0.288 nan 8.270 nan 0.000 0.434 93 R N -0.601 119.929 120.500 0.050 0.000 2.280 93 R HA 0.095 4.436 4.340 0.001 0.000 0.207 93 R C 1.857 178.138 176.300 -0.033 0.000 1.043 93 R CA 0.875 56.985 56.100 0.017 0.000 1.006 93 R CB -0.115 30.201 30.300 0.026 0.000 0.885 93 R HN 0.036 nan 8.270 nan 0.000 0.467 94 S N -0.169 115.478 115.700 -0.088 0.000 2.593 94 S HA 0.199 4.669 4.470 0.001 0.000 0.217 94 S C 1.230 175.727 174.600 -0.172 0.000 0.966 94 S CA 0.311 58.385 58.200 -0.210 0.000 0.914 94 S CB 0.347 63.257 63.200 -0.484 0.000 0.776 94 S HN 0.456 nan 8.310 nan 0.000 0.523 95 A N -0.675 122.111 122.820 -0.056 0.000 2.358 95 A HA 0.674 4.995 4.320 0.001 0.000 0.223 95 A C 1.370 178.959 177.584 0.008 0.000 1.218 95 A CA 0.640 52.676 52.037 -0.002 0.000 0.942 95 A CB 0.203 19.245 19.000 0.070 0.000 1.005 95 A HN 0.593 nan 8.150 nan 0.000 0.514 96 G N -1.412 107.390 108.800 0.004 0.000 3.914 96 G HA2 0.151 4.112 3.960 0.001 0.000 0.187 96 G HA3 0.151 4.112 3.960 0.001 0.000 0.187 96 G C 0.043 174.949 174.900 0.010 0.000 0.927 96 G CA -0.003 45.101 45.100 0.007 0.000 0.893 96 G HN 0.116 nan 8.290 nan 0.000 0.354 97 L N 0.679 121.914 121.223 0.021 0.000 2.578 97 L HA 0.716 5.056 4.340 0.001 0.000 0.259 97 L C 1.837 178.724 176.870 0.027 0.000 1.082 97 L CA 0.505 55.360 54.840 0.026 0.000 0.843 97 L CB 0.659 42.740 42.059 0.035 0.000 1.535 97 L HN 0.249 nan 8.230 nan 0.000 0.510 98 G N -0.791 108.029 108.800 0.033 0.000 3.142 98 G HA2 0.388 4.349 3.960 0.001 0.000 0.178 98 G HA3 0.388 4.349 3.960 0.001 0.000 0.178 98 G C 0.512 175.444 174.900 0.052 0.000 1.941 98 G CA 0.901 46.025 45.100 0.040 0.000 0.902 98 G HN 0.732 nan 8.290 nan 0.000 0.517 99 A N -2.520 120.339 122.820 0.064 0.000 1.962 99 A HA 0.317 4.637 4.320 0.001 0.000 0.202 99 A C 1.931 179.535 177.584 0.034 0.000 2.303 99 A CA 0.686 52.769 52.037 0.077 0.000 1.341 99 A CB -0.590 18.497 19.000 0.145 0.000 1.044 99 A HN 0.238 nan 8.150 nan 0.000 0.583 100 Q N 0.342 120.142 119.800 -0.000 0.000 2.308 100 Q HA -0.225 4.116 4.340 0.001 0.000 0.209 100 Q C 1.628 177.599 176.000 -0.047 0.000 0.985 100 Q CA 1.827 57.575 55.803 -0.093 0.000 0.881 100 Q CB -0.226 28.411 28.738 -0.168 0.000 0.917 100 Q HN 0.714 nan 8.270 nan 0.000 0.443 101 E N 0.633 120.830 120.200 -0.004 0.000 2.007 101 E HA -0.146 4.204 4.350 0.001 0.000 0.194 101 E C 1.901 178.515 176.600 0.024 0.000 0.999 101 E CA 1.419 57.826 56.400 0.013 0.000 0.811 101 E CB -0.503 29.213 29.700 0.027 0.000 0.762 101 E HN 0.376 nan 8.360 nan 0.000 0.450 102 A N 1.155 123.997 122.820 0.037 0.000 2.042 102 A HA -0.261 4.060 4.320 0.001 0.000 0.222 102 A C 2.243 179.857 177.584 0.051 0.000 1.167 102 A CA 2.140 54.211 52.037 0.056 0.000 0.649 102 A CB -1.056 17.985 19.000 0.068 0.000 0.809 102 A HN 0.297 nan 8.150 nan 0.000 0.457 103 A N 0.902 123.730 122.820 0.012 0.000 1.836 103 A HA -0.226 4.094 4.320 0.001 0.000 0.215 103 A C 2.292 179.852 177.584 -0.040 0.000 1.214 103 A CA 2.317 54.345 52.037 -0.016 0.000 0.636 103 A CB -0.703 18.235 19.000 -0.104 0.000 0.847 103 A HN 0.674 nan 8.150 nan 0.000 0.451 104 R N 1.118 121.563 120.500 -0.092 0.000 2.096 104 R HA -0.148 4.193 4.340 0.001 0.000 0.235 104 R C 2.009 178.289 176.300 -0.033 0.000 1.127 104 R CA 2.192 58.173 56.100 -0.199 0.000 0.968 104 R CB -1.167 29.088 30.300 -0.074 0.000 0.861 104 R HN 0.746 nan 8.270 nan 0.000 0.440 105 I N -0.647 119.965 120.570 0.070 0.000 2.179 105 I HA -0.197 3.973 4.170 0.001 0.000 0.242 105 I C 2.287 178.506 176.117 0.169 0.000 1.088 105 I CA 1.347 62.732 61.300 0.141 0.000 1.357 105 I CB -0.857 37.212 38.000 0.115 0.000 1.051 105 I HN 0.036 nan 8.210 nan 0.000 0.409 106 C N 0.766 120.147 119.300 0.134 0.000 2.508 106 C HA -0.043 4.418 4.460 0.001 0.000 0.280 106 C C 3.043 178.171 174.990 0.230 0.000 1.262 106 C CA 1.108 60.225 59.018 0.164 0.000 1.706 106 C CB -1.009 26.806 27.740 0.125 0.000 2.078 106 C HN 0.552 nan 8.230 nan 0.000 0.480 107 R N -0.319 120.288 120.500 0.178 0.000 2.136 107 R HA -0.240 4.100 4.340 0.001 0.000 0.242 107 R C 2.087 178.728 176.300 0.568 0.000 1.131 107 R CA 2.444 58.724 56.100 0.299 0.000 0.937 107 R CB -0.748 29.581 30.300 0.049 0.000 0.863 107 R HN 0.701 nan 8.270 nan 0.000 0.435 108 Y N -0.294 120.235 120.300 0.381 0.000 2.181 108 Y HA -0.232 4.317 4.550 -0.001 0.000 0.288 108 Y C 2.727 178.881 175.900 0.423 0.000 1.146 108 Y CA 1.259 59.578 58.100 0.366 0.000 1.164 108 Y CB -0.278 38.252 38.460 0.116 0.000 0.982 108 Y HN 0.215 nan 8.280 nan 0.000 0.515 109 R N 0.552 121.327 120.500 0.458 0.000 2.133 109 R HA -0.284 4.057 4.340 0.001 0.000 0.247 109 R C 2.106 178.604 176.300 0.329 0.000 1.151 109 R CA 2.124 58.426 56.100 0.337 0.000 0.971 109 R CB -0.807 29.651 30.300 0.262 0.000 0.866 109 R HN 0.454 nan 8.270 nan 0.000 0.447 110 F N 0.393 120.492 119.950 0.249 0.000 2.098 110 F HA -0.107 4.424 4.527 0.007 0.000 0.294 110 F C 1.621 177.487 175.800 0.111 0.000 1.107 110 F CA 1.346 59.425 58.000 0.132 0.000 1.234 110 F CB -0.391 38.646 39.000 0.062 0.000 1.002 110 F HN -0.076 nan 8.300 nan 0.000 0.472 111 F N 1.117 121.067 119.950 0.000 0.000 2.192 111 F HA -0.228 4.298 4.527 -0.002 0.000 0.301 111 F C 2.568 178.196 175.800 -0.287 0.000 1.079 111 F CA 1.256 59.175 58.000 -0.135 0.000 1.303 111 F CB -1.438 37.723 39.000 0.268 0.000 1.024 111 F HN 0.126 nan 8.300 nan 0.000 0.494 112 A N -0.310 122.491 122.820 -0.032 0.000 1.902 112 A HA -0.194 4.126 4.320 0.001 0.000 0.217 112 A C 2.074 179.450 177.584 -0.346 0.000 1.181 112 A CA 1.732 53.507 52.037 -0.437 0.000 0.623 112 A CB -0.728 18.016 19.000 -0.427 0.000 0.818 112 A HN 0.300 nan 8.150 nan 0.000 0.443 113 E N 0.202 120.281 120.200 -0.201 0.000 2.049 113 E HA -0.185 4.165 4.350 0.001 0.000 0.198 113 E C 1.965 178.440 176.600 -0.208 0.000 1.007 113 E CA 1.575 57.879 56.400 -0.159 0.000 0.809 113 E CB -0.389 29.239 29.700 -0.120 0.000 0.749 113 E HN 0.628 nan 8.360 nan 0.000 0.450 114 L N -0.233 120.777 121.223 -0.356 0.000 2.079 114 L HA -0.181 4.159 4.340 0.001 0.000 0.210 114 L C 2.612 179.394 176.870 -0.145 0.000 1.081 114 L CA 1.104 55.780 54.840 -0.272 0.000 0.752 114 L CB -0.475 41.303 42.059 -0.468 0.000 0.896 114 L HN 0.271 nan 8.230 nan 0.000 0.433 115 M N -0.124 119.346 119.600 -0.217 0.000 2.123 115 M HA -0.203 4.277 4.480 0.001 0.000 0.263 115 M C 2.339 178.578 176.300 -0.103 0.000 1.069 115 M CA 1.793 56.981 55.300 -0.187 0.000 1.133 115 M CB -0.055 32.336 32.600 -0.348 0.000 1.356 115 M HN 0.269 nan 8.290 nan 0.000 0.415 116 E N 0.319 120.459 120.200 -0.099 0.000 2.072 116 E HA -0.191 4.159 4.350 0.001 0.000 0.191 116 E C 1.107 177.696 176.600 -0.019 0.000 0.985 116 E CA 1.103 57.493 56.400 -0.017 0.000 0.801 116 E CB 0.052 29.779 29.700 0.046 0.000 0.750 116 E HN 0.413 nan 8.360 nan 0.000 0.452 117 K N -0.614 119.766 120.400 -0.034 0.000 2.504 117 K HA 0.007 4.328 4.320 0.001 0.000 0.199 117 K C 0.640 177.205 176.600 -0.058 0.000 1.028 117 K CA 0.113 56.374 56.287 -0.044 0.000 1.164 117 K CB 0.281 32.749 32.500 -0.053 0.000 0.877 117 K HN 0.225 nan 8.250 nan 0.000 0.508 118 H N -0.072 118.948 119.070 -0.084 0.000 3.726 118 H HA 0.070 4.628 4.556 0.004 0.000 0.262 118 H C -0.230 175.056 175.328 -0.070 0.000 1.181 118 H CA 0.245 56.246 56.048 -0.077 0.000 1.143 118 H CB 0.699 30.404 29.762 -0.094 0.000 1.627 118 H HN 0.170 nan 8.280 nan 0.000 0.750 119 Q N -0.821 118.999 119.800 0.034 0.000 2.406 119 Q HA -0.179 4.161 4.340 0.001 0.000 0.236 119 Q C 0.523 176.510 176.000 -0.021 0.000 0.799 119 Q CA 0.694 56.495 55.803 -0.004 0.000 1.286 119 Q CB -1.448 27.282 28.738 -0.013 0.000 1.615 119 Q HN 0.443 nan 8.270 nan 0.000 0.621 120 A N -0.106 122.705 122.820 -0.015 0.000 2.492 120 A HA 0.462 4.783 4.320 0.001 0.000 0.236 120 A C 1.354 178.885 177.584 -0.090 0.000 1.078 120 A CA 0.738 52.738 52.037 -0.061 0.000 0.773 120 A CB 0.279 19.238 19.000 -0.068 0.000 1.023 120 A HN 0.458 nan 8.150 nan 0.000 0.504 121 G N -0.975 107.743 108.800 -0.137 0.000 2.798 121 G HA2 0.333 4.293 3.960 0.001 0.000 0.200 121 G HA3 0.333 4.293 3.960 0.001 0.000 0.200 121 G C 0.254 175.219 174.900 0.109 0.000 1.092 121 G CA -0.049 44.968 45.100 -0.137 0.000 0.800 121 G HN 0.650 nan 8.290 nan 0.000 0.566 122 Y N -0.543 119.739 120.300 -0.029 0.000 2.528 122 Y HA 0.645 5.195 4.550 0.000 0.000 0.335 122 Y C -0.665 175.271 175.900 0.059 0.000 1.093 122 Y CA -1.363 56.761 58.100 0.039 0.000 1.134 122 Y CB 2.788 41.303 38.460 0.092 0.000 1.253 122 Y HN -0.230 nan 8.280 nan 0.000 0.478 123 V N 2.073 122.154 119.914 0.279 0.000 2.482 123 V HA 0.594 4.714 4.120 0.001 0.000 0.295 123 V C -0.600 175.633 176.094 0.231 0.000 1.026 123 V CA -0.670 61.773 62.300 0.237 0.000 0.856 123 V CB 1.334 33.294 31.823 0.228 0.000 1.001 123 V HN 0.845 nan 8.190 nan 0.000 0.424 124 A N 5.106 128.025 122.820 0.165 0.000 2.337 124 A HA 0.970 5.290 4.320 0.001 0.000 0.329 124 A C -0.785 176.810 177.584 0.019 0.000 1.146 124 A CA -0.554 51.529 52.037 0.076 0.000 0.800 124 A CB 1.639 20.651 19.000 0.020 0.000 1.220 124 A HN 0.830 nan 8.150 nan 0.000 0.472 125 V N 0.597 120.533 119.914 0.037 0.000 2.789 125 V HA 0.724 4.844 4.120 0.001 0.000 0.311 125 V C 0.669 176.757 176.094 -0.010 0.000 1.073 125 V CA -0.477 61.825 62.300 0.002 0.000 0.921 125 V CB 1.748 33.570 31.823 -0.002 0.000 1.009 125 V HN 1.213 nan 8.190 nan 0.000 0.426 126 G N 1.494 110.295 108.800 0.001 0.000 2.360 126 G HA2 0.481 4.442 3.960 0.001 0.000 0.279 126 G HA3 0.481 4.442 3.960 0.001 0.000 0.279 126 G C -0.425 174.488 174.900 0.023 0.000 1.189 126 G CA -0.063 45.172 45.100 0.225 0.000 0.941 126 G HN 0.694 nan 8.290 nan 0.000 0.445 127 H N 2.609 121.837 119.070 0.263 0.000 2.970 127 H HA 0.156 4.712 4.556 0.000 0.000 0.315 127 H C 0.010 175.393 175.328 0.092 0.000 0.992 127 H CA -0.530 55.567 56.048 0.082 0.000 1.363 127 H CB 1.024 30.799 29.762 0.022 0.000 1.532 127 H HN 0.743 nan 8.280 nan 0.000 0.514 128 H N 0.440 119.610 119.070 0.167 0.000 2.615 128 H HA 0.098 4.654 4.556 0.001 0.000 0.363 128 H C 1.281 176.648 175.328 0.065 0.000 1.148 128 H CA 0.022 56.106 56.048 0.061 0.000 1.401 128 H CB 0.743 30.465 29.762 -0.067 0.000 1.461 128 H HN 0.731 nan 8.280 nan 0.000 0.588 129 G N 1.644 110.528 108.800 0.140 0.000 2.562 129 G HA2 -0.350 3.610 3.960 0.001 0.000 0.223 129 G HA3 -0.350 3.610 3.960 0.001 0.000 0.223 129 G C 0.900 175.861 174.900 0.101 0.000 1.102 129 G CA 1.198 46.387 45.100 0.149 0.000 0.742 129 G HN 0.612 nan 8.290 nan 0.000 0.587 130 D N 0.398 120.864 120.400 0.110 0.000 2.123 130 D HA -0.015 4.625 4.640 0.001 0.000 0.200 130 D C 2.127 178.382 176.300 -0.076 0.000 0.976 130 D CA 0.799 54.845 54.000 0.076 0.000 0.831 130 D CB -0.145 40.791 40.800 0.226 0.000 0.974 130 D HN 0.091 nan 8.370 nan 0.000 0.469 131 D N 0.075 120.262 120.400 -0.355 0.000 2.149 131 D HA -0.202 4.439 4.640 0.001 0.000 0.194 131 D C 1.956 178.148 176.300 -0.179 0.000 1.001 131 D CA 1.026 54.802 54.000 -0.372 0.000 0.849 131 D CB -0.206 40.319 40.800 -0.459 0.000 0.939 131 D HN 0.147 nan 8.370 nan 0.000 0.449 132 Q N 0.825 120.561 119.800 -0.108 0.000 1.967 132 Q HA -0.125 4.215 4.340 0.001 0.000 0.202 132 Q C 2.178 178.184 176.000 0.010 0.000 0.985 132 Q CA 1.545 57.330 55.803 -0.029 0.000 0.839 132 Q CB -0.611 28.161 28.738 0.057 0.000 0.906 132 Q HN 0.122 nan 8.270 nan 0.000 0.423 133 V N 1.320 121.210 119.914 -0.040 0.000 2.225 133 V HA -0.422 3.699 4.120 0.001 0.000 0.252 133 V C 2.141 178.132 176.094 -0.171 0.000 1.055 133 V CA 2.586 64.712 62.300 -0.290 0.000 1.032 133 V CB -1.154 30.336 31.823 -0.555 0.000 0.655 133 V HN 0.559 nan 8.190 nan 0.000 0.458 134 E N 0.189 120.283 120.200 -0.177 0.000 2.240 134 E HA -0.363 3.987 4.350 0.001 0.000 0.236 134 E C 2.101 178.559 176.600 -0.237 0.000 1.085 134 E CA 2.600 58.886 56.400 -0.190 0.000 0.979 134 E CB -0.716 28.901 29.700 -0.138 0.000 0.845 134 E HN 0.808 nan 8.360 nan 0.000 0.483 135 T N 0.959 115.420 114.554 -0.155 0.000 2.788 135 T HA -0.117 4.234 4.350 0.001 0.000 0.268 135 T C 1.924 176.583 174.700 -0.069 0.000 1.044 135 T CA 0.922 62.937 62.100 -0.142 0.000 1.139 135 T CB -0.108 68.682 68.868 -0.131 0.000 0.867 135 T HN 0.032 nan 8.240 nan 0.000 0.454 136 I N 1.398 122.003 120.570 0.058 0.000 2.099 136 I HA -0.088 4.082 4.170 0.001 0.000 0.239 136 I C 2.338 178.535 176.117 0.134 0.000 1.066 136 I CA 1.253 62.685 61.300 0.220 0.000 1.324 136 I CB -1.422 36.883 38.000 0.508 0.000 1.037 136 I HN 0.219 nan 8.210 nan 0.000 0.401 137 L N -0.515 120.754 121.223 0.077 0.000 1.994 137 L HA -0.174 4.166 4.340 0.001 0.000 0.208 137 L C 2.664 179.386 176.870 -0.247 0.000 1.071 137 L CA 1.475 56.310 54.840 -0.008 0.000 0.745 137 L CB -0.909 41.157 42.059 0.011 0.000 0.892 137 L HN 0.160 nan 8.230 nan 0.000 0.431 138 M N -0.673 118.504 119.600 -0.706 0.000 2.152 138 M HA -0.331 4.150 4.480 0.001 0.000 0.251 138 M C 2.233 178.406 176.300 -0.212 0.000 1.080 138 M CA 1.960 56.790 55.300 -0.782 0.000 1.079 138 M CB -0.185 32.041 32.600 -0.623 0.000 1.317 138 M HN 0.230 nan 8.290 nan 0.000 0.404 139 R N -0.761 119.675 120.500 -0.106 0.000 2.280 139 R HA 0.053 4.393 4.340 0.001 0.000 0.195 139 R C 1.873 178.198 176.300 0.040 0.000 0.935 139 R CA 0.146 56.244 56.100 -0.003 0.000 1.033 139 R CB -0.131 30.182 30.300 0.022 0.000 0.964 139 R HN 0.366 nan 8.270 nan 0.000 0.489 140 L N 1.286 122.529 121.223 0.034 0.000 2.005 140 L HA -0.097 4.243 4.340 0.001 0.000 0.207 140 L C 2.264 179.162 176.870 0.047 0.000 1.072 140 L CA 1.808 56.666 54.840 0.030 0.000 0.744 140 L CB -0.945 41.139 42.059 0.042 0.000 0.895 140 L HN 0.015 nan 8.230 nan 0.000 0.433 141 V N -2.161 117.801 119.914 0.080 0.000 2.871 141 V HA -0.064 4.056 4.120 0.001 0.000 0.256 141 V C 2.604 178.752 176.094 0.090 0.000 1.082 141 V CA 1.024 63.387 62.300 0.106 0.000 1.105 141 V CB -0.678 31.256 31.823 0.187 0.000 0.713 141 V HN 0.398 nan 8.190 nan 0.000 0.473 142 R N 1.247 121.794 120.500 0.079 0.000 2.115 142 R HA 0.105 4.445 4.340 0.001 0.000 0.226 142 R C 1.863 178.194 176.300 0.052 0.000 1.100 142 R CA 1.413 57.554 56.100 0.068 0.000 0.980 142 R CB -0.223 30.111 30.300 0.056 0.000 0.875 142 R HN 0.862 nan 8.270 nan 0.000 0.445 143 G N -1.153 107.675 108.800 0.047 0.000 2.211 143 G HA2 -0.213 3.748 3.960 0.001 0.000 0.201 143 G HA3 -0.213 3.748 3.960 0.001 0.000 0.201 143 G C 0.867 175.794 174.900 0.045 0.000 0.997 143 G CA 0.507 45.632 45.100 0.041 0.000 0.652 143 G HN 0.310 nan 8.290 nan 0.000 0.500 144 S N 1.105 116.834 115.700 0.049 0.000 2.423 144 S HA -0.065 4.405 4.470 0.001 0.000 0.238 144 S C 1.646 176.289 174.600 0.072 0.000 1.028 144 S CA 1.564 59.796 58.200 0.052 0.000 1.000 144 S CB -0.694 62.531 63.200 0.043 0.000 0.797 144 S HN 1.624 nan 8.310 nan 0.000 0.487 145 T N 1.616 116.224 114.554 0.090 0.000 2.781 145 T HA 0.201 4.551 4.350 0.001 0.000 0.270 145 T C 0.646 175.407 174.700 0.102 0.000 1.022 145 T CA 0.338 62.516 62.100 0.129 0.000 1.144 145 T CB 0.138 69.030 68.868 0.041 0.000 1.039 145 T HN 0.506 nan 8.240 nan 0.000 0.494 146 S N 2.243 118.021 115.700 0.131 0.000 6.692 146 S HA 0.118 4.588 4.470 0.001 0.000 0.114 146 S C 0.952 175.597 174.600 0.074 0.000 1.488 146 S CA -0.437 57.811 58.200 0.080 0.000 0.918 146 S CB 0.269 63.498 63.200 0.050 0.000 1.432 146 S HN 0.722 nan 8.310 nan 0.000 0.548 147 K N 1.455 121.867 120.400 0.021 0.000 2.276 147 K HA 0.399 4.720 4.320 0.001 0.000 0.198 147 K C 1.958 178.508 176.600 -0.084 0.000 1.052 147 K CA 0.760 57.028 56.287 -0.031 0.000 0.984 147 K CB -0.417 32.057 32.500 -0.043 0.000 0.836 147 K HN 0.487 nan 8.250 nan 0.000 0.490 148 G N 1.359 110.133 108.800 -0.043 0.000 2.511 148 G HA2 -0.251 3.709 3.960 0.001 0.000 0.217 148 G HA3 -0.251 3.709 3.960 0.001 0.000 0.217 148 G C 1.345 176.199 174.900 -0.077 0.000 1.133 148 G CA 0.540 45.598 45.100 -0.070 0.000 0.792 148 G HN 0.378 nan 8.290 nan 0.000 0.539 149 Y N 2.081 122.340 120.300 -0.069 0.000 2.014 149 Y HA -0.126 4.425 4.550 0.002 0.000 0.272 149 Y C 2.622 178.442 175.900 -0.134 0.000 1.164 149 Y CA 1.622 59.671 58.100 -0.084 0.000 1.114 149 Y CB -1.037 37.379 38.460 -0.074 0.000 0.961 149 Y HN 0.445 nan 8.280 nan 0.000 0.489 150 A N 0.393 122.328 122.820 -1.475 0.000 1.833 150 A HA -0.215 4.106 4.320 0.001 0.000 0.360 150 A C 2.034 178.997 177.584 -1.035 0.000 5.277 150 A CA 3.813 55.109 52.037 -1.234 0.000 1.033 150 A CB -2.013 16.658 19.000 -0.547 0.000 0.922 150 A HN 2.056 nan 8.150 nan 0.000 0.549 151 G N -3.842 104.632 108.800 -0.543 0.000 2.278 151 G HA2 0.422 4.383 3.960 0.001 0.000 0.265 151 G HA3 0.422 4.383 3.960 0.001 0.000 0.265 151 G C -0.662 174.102 174.900 -0.228 0.000 1.329 151 G CA -0.355 44.566 45.100 -0.299 0.000 1.017 151 G HN 1.140 nan 8.290 nan 0.000 0.472 152 I N 1.860 122.322 120.570 -0.180 0.000 2.396 152 I HA 0.339 4.509 4.170 0.001 0.000 0.289 152 I C -2.152 173.867 176.117 -0.164 0.000 1.056 152 I CA -2.190 58.994 61.300 -0.195 0.000 1.365 152 I CB 0.524 38.389 38.000 -0.225 0.000 1.407 152 I HN 0.092 nan 8.210 nan 0.000 0.509 153 P HA 0.205 nan 4.420 nan 0.000 0.281 153 P C 1.231 178.444 177.300 -0.146 0.000 1.286 153 P CA -0.278 62.714 63.100 -0.179 0.000 0.772 153 P CB 1.105 32.689 31.700 -0.193 0.000 0.862 154 V N 3.374 123.192 119.914 -0.161 0.000 2.241 154 V HA -0.275 3.846 4.120 0.001 0.000 0.256 154 V C 1.196 177.206 176.094 -0.140 0.000 1.060 154 V CA 2.100 64.302 62.300 -0.163 0.000 1.065 154 V CB -0.874 30.702 31.823 -0.412 0.000 0.685 154 V HN 0.672 nan 8.190 nan 0.000 0.467 155 K N 0.697 120.975 120.400 -0.202 0.000 2.427 155 K HA 0.661 4.982 4.320 0.001 0.000 0.252 155 K C -0.681 175.779 176.600 -0.233 0.000 0.931 155 K CA -0.936 55.238 56.287 -0.189 0.000 0.793 155 K CB 2.433 34.800 32.500 -0.221 0.000 1.211 155 K HN 0.493 nan 8.250 nan 0.000 0.426 156 R N 1.448 121.839 120.500 -0.182 0.000 2.740 156 R HA 0.452 4.793 4.340 0.001 0.000 0.273 156 R C -2.760 173.493 176.300 -0.078 0.000 0.998 156 R CA -1.733 54.248 56.100 -0.199 0.000 0.900 156 R CB 1.773 31.962 30.300 -0.186 0.000 1.223 156 R HN 0.397 nan 8.270 nan 0.000 0.466 157 P HA -0.071 nan 4.420 nan 0.000 0.250 157 P C -1.161 176.288 177.300 0.248 0.000 1.198 157 P CA 0.693 63.893 63.100 0.166 0.000 1.118 157 P CB -0.298 31.436 31.700 0.057 0.000 1.208 158 F N 4.383 124.441 119.950 0.179 0.000 2.334 158 F HA 0.155 4.687 4.527 0.008 0.000 0.367 158 F C 1.596 177.516 175.800 0.201 0.000 1.115 158 F CA -0.467 57.608 58.000 0.125 0.000 1.116 158 F CB 0.383 39.424 39.000 0.068 0.000 1.230 158 F HN 0.410 nan 8.300 nan 0.000 0.484 159 H N 2.840 122.233 119.070 0.539 0.000 1.452 159 H HA -0.322 4.227 4.556 -0.012 0.000 0.090 159 H C 1.614 177.004 175.328 0.104 0.000 0.602 159 H CA 2.104 58.295 56.048 0.237 0.000 1.901 159 H CB -1.215 28.564 29.762 0.029 0.000 2.257 159 H HN 0.714 nan 8.280 nan 0.000 0.961 160 G N -0.943 107.961 108.800 0.173 0.000 2.610 160 G HA2 0.309 4.270 3.960 0.001 0.000 0.215 160 G HA3 0.309 4.270 3.960 0.001 0.000 0.215 160 G C 1.258 176.167 174.900 0.015 0.000 1.243 160 G CA 0.824 45.957 45.100 0.055 0.000 0.847 160 G HN 0.821 nan 8.290 nan 0.000 0.560 161 G N -1.102 107.682 108.800 -0.026 0.000 3.229 161 G HA2 0.504 4.464 3.960 0.001 0.000 0.165 161 G HA3 0.504 4.464 3.960 0.001 0.000 0.165 161 G C -0.458 174.441 174.900 -0.002 0.000 1.753 161 G CA -0.578 44.414 45.100 -0.180 0.000 1.054 161 G HN 0.345 nan 8.290 nan 0.000 0.544 162 Y N -1.904 118.504 120.300 0.178 0.000 2.662 162 Y HA 0.622 5.175 4.550 0.004 0.000 0.335 162 Y C -0.542 175.444 175.900 0.143 0.000 1.066 162 Y CA -1.163 56.994 58.100 0.095 0.000 1.116 162 Y CB 2.373 40.776 38.460 -0.095 0.000 1.308 162 Y HN 0.403 nan 8.280 nan 0.000 0.502 163 L N 3.187 124.576 121.223 0.276 0.000 2.376 163 L HA 0.623 4.963 4.340 0.001 0.000 0.275 163 L C -1.677 175.229 176.870 0.061 0.000 0.987 163 L CA -0.535 54.427 54.840 0.203 0.000 0.828 163 L CB 0.949 43.112 42.059 0.174 0.000 1.249 163 L HN 0.432 nan 8.230 nan 0.000 0.409 164 I N 4.296 124.913 120.570 0.078 0.000 2.433 164 I HA 0.461 4.632 4.170 0.001 0.000 0.292 164 I C -0.284 175.891 176.117 0.097 0.000 1.001 164 I CA -0.659 60.669 61.300 0.047 0.000 1.119 164 I CB 1.738 39.767 38.000 0.048 0.000 1.289 164 I HN 0.740 nan 8.210 nan 0.000 0.438 165 R N 4.992 125.562 120.500 0.117 0.000 3.026 165 R HA 0.290 4.630 4.340 0.001 0.000 0.317 165 R C -2.163 174.301 176.300 0.273 0.000 1.278 165 R CA -1.315 54.900 56.100 0.192 0.000 1.407 165 R CB 0.335 30.777 30.300 0.237 0.000 1.368 165 R HN 0.382 nan 8.270 nan 0.000 0.612 166 P HA -0.095 nan 4.420 nan 0.000 0.236 166 P C 0.365 177.879 177.300 0.357 0.000 1.172 166 P CA 0.851 64.185 63.100 0.390 0.000 0.759 166 P CB -0.081 31.753 31.700 0.224 0.000 0.843 167 F N -1.541 118.550 119.950 0.235 0.000 2.811 167 F HA 0.005 4.533 4.527 0.002 0.000 0.301 167 F C 1.776 177.617 175.800 0.068 0.000 1.151 167 F CA -0.506 57.566 58.000 0.120 0.000 1.412 167 F CB -0.163 38.904 39.000 0.112 0.000 1.113 167 F HN -0.159 nan 8.300 nan 0.000 0.579 168 L N 0.456 121.855 121.223 0.293 0.000 2.187 168 L HA -0.198 4.143 4.340 0.001 0.000 0.213 168 L C 2.530 179.327 176.870 -0.121 0.000 1.100 168 L CA 1.453 56.394 54.840 0.168 0.000 0.765 168 L CB -1.008 41.260 42.059 0.348 0.000 0.904 168 L HN 0.097 nan 8.230 nan 0.000 0.437 169 A N -1.288 121.167 122.820 -0.609 0.000 2.125 169 A HA 0.095 4.415 4.320 0.001 0.000 0.219 169 A C 0.772 178.236 177.584 -0.201 0.000 1.156 169 A CA 1.243 52.741 52.037 -0.898 0.000 0.671 169 A CB -0.655 17.632 19.000 -1.188 0.000 0.794 169 A HN 0.270 nan 8.150 nan 0.000 0.459 170 V N -4.066 115.819 119.914 -0.048 0.000 2.932 170 V HA 0.663 4.784 4.120 0.001 0.000 0.307 170 V C -0.052 175.936 176.094 -0.176 0.000 1.147 170 V CA -0.442 61.830 62.300 -0.047 0.000 0.951 170 V CB 1.003 32.793 31.823 -0.055 0.000 1.031 170 V HN 0.242 nan 8.190 nan 0.000 0.426 171 S N 2.024 117.418 115.700 -0.510 0.000 2.566 171 S HA 0.160 4.630 4.470 0.001 0.000 0.280 171 S C 1.364 175.775 174.600 -0.314 0.000 1.343 171 S CA 0.608 58.464 58.200 -0.574 0.000 1.036 171 S CB 0.648 63.423 63.200 -0.707 0.000 0.866 171 S HN 1.199 nan 8.310 nan 0.000 0.526 172 R N 2.958 123.293 120.500 -0.275 0.000 2.189 172 R HA 0.084 4.425 4.340 0.001 0.000 0.218 172 R C 2.055 178.182 176.300 -0.289 0.000 1.074 172 R CA 1.357 57.205 56.100 -0.421 0.000 0.991 172 R CB -0.824 29.155 30.300 -0.534 0.000 0.883 172 R HN 0.566 nan 8.270 nan 0.000 0.457 173 A N 2.237 124.924 122.820 -0.222 0.000 1.859 173 A HA -0.231 4.090 4.320 0.001 0.000 0.217 173 A C 1.872 179.362 177.584 -0.155 0.000 1.198 173 A CA 1.854 53.795 52.037 -0.161 0.000 0.629 173 A CB -0.562 18.360 19.000 -0.131 0.000 0.830 173 A HN 0.620 nan 8.150 nan 0.000 0.446 174 E N -0.498 119.596 120.200 -0.176 0.000 2.418 174 E HA -0.020 4.331 4.350 0.001 0.000 0.197 174 E C 1.530 178.041 176.600 -0.148 0.000 1.026 174 E CA 0.340 56.662 56.400 -0.129 0.000 0.862 174 E CB -0.098 29.530 29.700 -0.120 0.000 0.799 174 E HN 0.552 nan 8.360 nan 0.000 0.518 175 I N 0.843 121.269 120.570 -0.241 0.000 2.716 175 I HA -0.113 4.058 4.170 0.001 0.000 0.259 175 I C 1.779 177.791 176.117 -0.175 0.000 1.172 175 I CA 1.022 62.148 61.300 -0.291 0.000 1.478 175 I CB -0.171 37.557 38.000 -0.453 0.000 1.104 175 I HN 0.051 nan 8.210 nan 0.000 0.439 176 E N 1.059 121.163 120.200 -0.159 0.000 2.112 176 E HA -0.007 4.344 4.350 0.001 0.000 0.190 176 E C 2.314 178.868 176.600 -0.077 0.000 0.979 176 E CA 1.131 57.461 56.400 -0.117 0.000 0.814 176 E CB -0.122 29.508 29.700 -0.117 0.000 0.762 176 E HN 0.370 nan 8.360 nan 0.000 0.460 177 A N 0.154 122.937 122.820 -0.060 0.000 1.873 177 A HA -0.265 4.055 4.320 0.001 0.000 0.218 177 A C 2.157 179.735 177.584 -0.011 0.000 1.193 177 A CA 1.840 53.858 52.037 -0.031 0.000 0.629 177 A CB -1.056 17.935 19.000 -0.014 0.000 0.826 177 A HN 0.466 nan 8.150 nan 0.000 0.447 178 Y N -0.336 119.892 120.300 -0.121 0.000 2.242 178 Y HA -0.222 4.329 4.550 0.001 0.000 0.291 178 Y C 2.766 178.570 175.900 -0.160 0.000 1.137 178 Y CA 1.374 59.400 58.100 -0.123 0.000 1.181 178 Y CB -0.522 37.867 38.460 -0.118 0.000 0.989 178 Y HN 0.534 nan 8.280 nan 0.000 0.527 179 C N 0.966 120.241 119.300 -0.040 0.000 2.442 179 C HA -0.158 4.302 4.460 0.001 0.000 0.279 179 C C 2.841 177.730 174.990 -0.168 0.000 1.237 179 C CA 1.794 60.741 59.018 -0.118 0.000 1.722 179 C CB -1.287 26.396 27.740 -0.095 0.000 2.056 179 C HN 0.633 nan 8.230 nan 0.000 0.469 180 R N 0.029 120.451 120.500 -0.131 0.000 2.062 180 R HA -0.128 4.213 4.340 0.001 0.000 0.231 180 R C 2.576 178.793 176.300 -0.138 0.000 1.136 180 R CA 2.032 58.061 56.100 -0.117 0.000 0.948 180 R CB -0.705 29.543 30.300 -0.088 0.000 0.845 180 R HN 0.706 nan 8.270 nan 0.000 0.430 181 Q N -0.584 119.127 119.800 -0.148 0.000 2.156 181 Q HA -0.163 4.178 4.340 0.001 0.000 0.211 181 Q C 1.038 176.911 176.000 -0.212 0.000 0.995 181 Q CA 1.723 57.431 55.803 -0.157 0.000 0.877 181 Q CB 0.018 28.664 28.738 -0.153 0.000 0.920 181 Q HN 0.324 nan 8.270 nan 0.000 0.416 182 M N 0.077 119.467 119.600 -0.350 0.000 2.989 182 M HA 0.231 4.712 4.480 0.001 0.000 0.307 182 M C -0.245 175.906 176.300 -0.248 0.000 1.224 182 M CA 0.002 55.080 55.300 -0.370 0.000 0.984 182 M CB 0.631 32.769 32.600 -0.771 0.000 1.264 182 M HN 0.280 nan 8.290 nan 0.000 0.525 183 G N 1.927 110.635 108.800 -0.154 0.000 3.391 183 G HA2 -0.045 3.915 3.960 0.001 0.000 0.675 183 G HA3 -0.045 3.915 3.960 0.001 0.000 0.675 183 G C -1.411 173.430 174.900 -0.098 0.000 0.899 183 G CA -0.892 44.158 45.100 -0.084 0.000 0.755 183 G HN 0.438 nan 8.290 nan 0.000 0.475 184 L N 1.075 122.245 121.223 -0.088 0.000 3.285 184 L HA 0.512 4.852 4.340 0.001 0.000 0.232 184 L C 1.017 177.831 176.870 -0.094 0.000 0.996 184 L CA -0.207 54.573 54.840 -0.100 0.000 1.046 184 L CB 0.751 42.729 42.059 -0.135 0.000 1.549 184 L HN 1.800 nan 8.230 nan 0.000 0.427 185 S N 2.114 117.751 115.700 -0.105 0.000 2.775 185 S HA 0.343 4.814 4.470 0.001 0.000 0.250 185 S C -2.173 172.363 174.600 -0.106 0.000 1.391 185 S CA -0.410 57.723 58.200 -0.112 0.000 0.972 185 S CB -0.832 62.267 63.200 -0.170 0.000 0.963 185 S HN 0.563 nan 8.310 nan 0.000 0.570 186 P HA -0.010 nan 4.420 nan 0.000 0.252 186 P C 0.785 178.032 177.300 -0.088 0.000 1.136 186 P CA 0.472 63.520 63.100 -0.087 0.000 0.778 186 P CB 0.071 31.720 31.700 -0.086 0.000 0.722 187 R N 1.992 122.443 120.500 -0.080 0.000 2.507 187 R HA -0.203 4.138 4.340 0.001 0.000 0.197 187 R C 1.283 177.533 176.300 -0.084 0.000 0.952 187 R CA 2.008 58.057 56.100 -0.084 0.000 0.778 187 R CB -1.073 29.181 30.300 -0.077 0.000 0.719 187 R HN 0.668 nan 8.270 nan 0.000 0.447 188 C N -0.294 118.961 119.300 -0.075 0.000 2.478 188 C HA 0.346 4.806 4.460 0.001 0.000 0.379 188 C C -0.202 174.758 174.990 -0.051 0.000 1.470 188 C CA -1.149 57.828 59.018 -0.069 0.000 2.066 188 C CB 0.622 28.320 27.740 -0.069 0.000 2.001 188 C HN 0.443 nan 8.230 nan 0.000 0.550 189 D N 1.621 122.001 120.400 -0.034 0.000 2.280 189 D HA 0.396 5.037 4.640 0.001 0.000 0.243 189 D C -1.740 174.549 176.300 -0.018 0.000 1.129 189 D CA -0.706 53.284 54.000 -0.016 0.000 0.848 189 D CB 1.233 42.039 40.800 0.010 0.000 1.107 189 D HN 0.496 nan 8.370 nan 0.000 0.471 190 P HA 0.070 nan 4.420 nan 0.000 0.249 190 P C -0.185 177.105 177.300 -0.016 0.000 1.229 190 P CA 0.207 63.292 63.100 -0.025 0.000 0.788 190 P CB 0.541 32.226 31.700 -0.025 0.000 1.072 191 S N 0.223 115.925 115.700 0.003 0.000 2.588 191 S HA 0.028 4.498 4.470 0.001 0.000 0.245 191 S C 1.290 175.910 174.600 0.034 0.000 1.021 191 S CA -0.512 57.701 58.200 0.023 0.000 1.006 191 S CB -0.720 62.510 63.200 0.049 0.000 0.830 191 S HN 0.274 nan 8.310 nan 0.000 0.468 192 N N 2.000 120.712 118.700 0.020 0.000 2.585 192 N HA -0.159 4.582 4.740 0.001 0.000 0.188 192 N C -0.180 175.363 175.510 0.055 0.000 1.102 192 N CA 0.378 53.466 53.050 0.063 0.000 0.920 192 N CB -0.461 38.070 38.487 0.072 0.000 0.963 192 N HN 0.388 nan 8.380 nan 0.000 0.447 193 E N 1.256 121.453 120.200 -0.005 0.000 2.918 193 E HA -0.086 4.264 4.350 0.001 0.000 0.232 193 E C -0.257 176.355 176.600 0.021 0.000 1.073 193 E CA 0.607 56.999 56.400 -0.013 0.000 0.949 193 E CB -0.125 29.568 29.700 -0.011 0.000 0.937 193 E HN 0.443 nan 8.360 nan 0.000 0.536 194 K N 3.057 123.487 120.400 0.049 0.000 2.659 194 K HA -0.013 4.307 4.320 0.001 0.000 0.179 194 K C -1.074 175.555 176.600 0.048 0.000 1.661 194 K CA -0.150 56.146 56.287 0.016 0.000 0.651 194 K CB -0.116 32.392 32.500 0.012 0.000 1.319 194 K HN 0.093 nan 8.250 nan 0.000 0.380 195 D N 1.499 121.941 120.400 0.071 0.000 2.636 195 D HA -0.065 4.575 4.640 0.001 0.000 0.256 195 D C 0.899 177.166 176.300 -0.054 0.000 1.280 195 D CA 0.548 54.596 54.000 0.081 0.000 0.910 195 D CB 0.281 41.160 40.800 0.132 0.000 1.045 195 D HN 0.336 nan 8.370 nan 0.000 0.472 196 D N -0.775 119.502 120.400 -0.204 0.000 2.194 196 D HA -0.102 4.538 4.640 0.001 0.000 0.204 196 D C -0.255 175.738 176.300 -0.512 0.000 0.964 196 D CA 0.561 54.294 54.000 -0.446 0.000 0.846 196 D CB 0.250 40.596 40.800 -0.756 0.000 0.962 196 D HN 0.291 nan 8.370 nan 0.000 0.490 197 Y N 0.430 120.723 120.300 -0.013 0.000 2.342 197 Y HA 0.170 4.721 4.550 0.002 0.000 0.338 197 Y C 1.992 177.906 175.900 0.025 0.000 0.965 197 Y CA -0.545 57.552 58.100 -0.004 0.000 1.159 197 Y CB 1.328 39.773 38.460 -0.026 0.000 1.157 197 Y HN -0.180 nan 8.280 nan 0.000 0.486 198 T N -0.251 114.414 114.554 0.185 0.000 2.572 198 T HA -0.442 3.908 4.350 0.001 0.000 0.258 198 T C 1.952 176.859 174.700 0.345 0.000 1.154 198 T CA 2.215 64.438 62.100 0.204 0.000 1.157 198 T CB -0.341 68.681 68.868 0.257 0.000 0.856 198 T HN 0.655 nan 8.240 nan 0.000 0.443 199 R N 2.421 123.110 120.500 0.315 0.000 2.159 199 R HA -0.233 4.107 4.340 0.001 0.000 0.249 199 R C 2.183 178.591 176.300 0.179 0.000 1.136 199 R CA 2.575 58.813 56.100 0.229 0.000 0.951 199 R CB -0.953 29.387 30.300 0.066 0.000 0.876 199 R HN 0.624 nan 8.270 nan 0.000 0.440 200 N N -0.160 118.586 118.700 0.075 0.000 2.043 200 N HA -0.147 4.594 4.740 0.001 0.000 0.193 200 N C 1.675 177.021 175.510 -0.274 0.000 1.037 200 N CA 2.082 55.007 53.050 -0.210 0.000 0.851 200 N CB -0.300 38.074 38.487 -0.189 0.000 1.027 200 N HN 0.330 nan 8.380 nan 0.000 0.422 201 R N -0.237 120.224 120.500 -0.065 0.000 2.117 201 R HA -0.106 4.234 4.340 0.001 0.000 0.243 201 R C 1.906 178.189 176.300 -0.028 0.000 1.143 201 R CA 1.182 57.272 56.100 -0.018 0.000 0.968 201 R CB -0.656 29.642 30.300 -0.003 0.000 0.863 201 R HN 0.231 nan 8.270 nan 0.000 0.444 202 F N 0.791 120.733 119.950 -0.014 0.000 2.046 202 F HA -0.200 4.328 4.527 0.001 0.000 0.297 202 F C 2.873 178.640 175.800 -0.054 0.000 1.123 202 F CA 1.526 59.523 58.000 -0.006 0.000 1.199 202 F CB -0.313 38.677 39.000 -0.018 0.000 0.972 202 F HN -0.062 nan 8.300 nan 0.000 0.474 203 R N -0.515 120.031 120.500 0.076 0.000 2.105 203 R HA -0.185 4.155 4.340 0.001 0.000 0.239 203 R C 2.094 178.372 176.300 -0.036 0.000 1.135 203 R CA 1.713 57.791 56.100 -0.037 0.000 0.967 203 R CB -0.391 29.828 30.300 -0.136 0.000 0.861 203 R HN 0.326 nan 8.270 nan 0.000 0.442 204 H N -1.087 117.888 119.070 -0.160 0.000 2.384 204 H HA 0.019 4.576 4.556 0.001 0.000 0.300 204 H C 1.281 176.342 175.328 -0.444 0.000 1.057 204 H CA 1.745 57.568 56.048 -0.376 0.000 1.370 204 H CB -0.006 29.391 29.762 -0.610 0.000 1.417 204 H HN 0.533 nan 8.280 nan 0.000 0.527 205 H N -1.366 117.778 119.070 0.124 0.000 2.408 205 H HA 0.222 4.779 4.556 0.001 0.000 0.271 205 H C 2.263 177.617 175.328 0.043 0.000 0.957 205 H CA 0.240 56.322 56.048 0.058 0.000 1.170 205 H CB 0.470 30.246 29.762 0.023 0.000 1.458 205 H HN 0.017 nan 8.280 nan 0.000 0.491 206 I N 0.666 121.334 120.570 0.164 0.000 2.113 206 I HA -0.232 3.938 4.170 0.001 0.000 0.238 206 I C 2.021 178.203 176.117 0.108 0.000 1.070 206 I CA 1.074 62.452 61.300 0.130 0.000 1.332 206 I CB -0.455 37.640 38.000 0.158 0.000 1.044 206 I HN 0.073 nan 8.210 nan 0.000 0.402 207 V N 1.837 121.809 119.914 0.097 0.000 2.231 207 V HA -0.227 3.894 4.120 0.001 0.000 0.250 207 V C -0.160 175.953 176.094 0.033 0.000 1.058 207 V CA 2.641 64.964 62.300 0.038 0.000 1.022 207 V CB -1.927 29.903 31.823 0.012 0.000 0.640 207 V HN 0.286 nan 8.190 nan 0.000 0.445 208 P HA -0.179 nan 4.420 nan 0.000 0.217 208 P C 1.799 179.123 177.300 0.041 0.000 1.151 208 P CA 1.596 64.718 63.100 0.037 0.000 0.849 208 P CB -0.145 31.580 31.700 0.042 0.000 0.787 209 L N -2.162 119.093 121.223 0.053 0.000 2.141 209 L HA -0.140 4.200 4.340 0.001 0.000 0.209 209 L C 2.314 179.212 176.870 0.045 0.000 1.094 209 L CA 0.995 55.865 54.840 0.049 0.000 0.763 209 L CB -1.004 41.088 42.059 0.056 0.000 0.908 209 L HN 0.000 nan 8.230 nan 0.000 0.437 210 L N -0.140 121.111 121.223 0.047 0.000 1.993 210 L HA -0.151 4.189 4.340 0.001 0.000 0.206 210 L C 2.684 179.576 176.870 0.038 0.000 1.074 210 L CA 1.476 56.343 54.840 0.046 0.000 0.746 210 L CB -1.276 40.803 42.059 0.033 0.000 0.896 210 L HN 0.205 nan 8.230 nan 0.000 0.435 211 R N 0.307 120.822 120.500 0.025 0.000 2.224 211 R HA -0.283 4.058 4.340 0.001 0.000 0.255 211 R C 2.351 178.671 176.300 0.033 0.000 1.130 211 R CA 2.275 58.392 56.100 0.027 0.000 0.957 211 R CB -0.378 29.935 30.300 0.021 0.000 0.907 211 R HN 0.509 nan 8.270 nan 0.000 0.446 212 Q N -0.988 118.831 119.800 0.031 0.000 2.079 212 Q HA -0.117 4.223 4.340 0.001 0.000 0.200 212 Q C 1.927 177.946 176.000 0.031 0.000 0.974 212 Q CA 1.198 57.018 55.803 0.029 0.000 0.840 212 Q CB -0.076 28.678 28.738 0.027 0.000 0.898 212 Q HN 0.282 nan 8.270 nan 0.000 0.430 213 E N 0.660 120.881 120.200 0.035 0.000 2.265 213 E HA -0.066 4.284 4.350 0.001 0.000 0.196 213 E C -0.080 176.543 176.600 0.038 0.000 0.996 213 E CA 0.685 57.107 56.400 0.036 0.000 0.832 213 E CB -0.018 29.707 29.700 0.043 0.000 0.756 213 E HN 0.147 nan 8.360 nan 0.000 0.491 214 N N -1.456 117.270 118.700 0.043 0.000 2.554 214 N HA 0.067 4.807 4.740 0.001 0.000 0.271 214 N C -2.427 173.114 175.510 0.051 0.000 1.081 214 N CA -0.948 52.130 53.050 0.046 0.000 0.994 214 N CB 1.740 40.260 38.487 0.055 0.000 1.641 214 N HN -0.331 nan 8.380 nan 0.000 0.511 215 P HA -0.068 nan 4.420 nan 0.000 0.217 215 P C -0.343 177.006 177.300 0.083 0.000 1.151 215 P CA 1.018 64.152 63.100 0.056 0.000 0.828 215 P CB 0.301 32.029 31.700 0.046 0.000 0.788 216 R N -0.122 120.415 120.500 0.062 0.000 4.017 216 R HA 0.267 4.607 4.340 0.001 0.000 0.272 216 R C 1.164 177.474 176.300 0.018 0.000 1.516 216 R CA -0.332 55.789 56.100 0.035 0.000 1.519 216 R CB -0.097 30.203 30.300 -0.001 0.000 1.422 216 R HN 0.163 nan 8.270 nan 0.000 0.719 217 L N 1.213 122.484 121.223 0.080 0.000 2.071 217 L HA -0.108 4.232 4.340 0.001 0.000 0.201 217 L C 2.507 179.437 176.870 0.099 0.000 1.076 217 L CA 1.345 56.245 54.840 0.100 0.000 0.755 217 L CB -0.265 41.824 42.059 0.050 0.000 0.915 217 L HN 0.518 nan 8.230 nan 0.000 0.445 218 H N -0.633 118.462 119.070 0.040 0.000 2.554 218 H HA -0.147 4.409 4.556 0.001 0.000 0.290 218 H C 1.132 176.536 175.328 0.126 0.000 1.058 218 H CA 1.520 57.602 56.048 0.056 0.000 1.224 218 H CB -0.262 29.513 29.762 0.023 0.000 1.359 218 H HN 0.597 nan 8.280 nan 0.000 0.589 219 E N 1.257 121.205 120.200 -0.420 0.000 2.065 219 E HA 0.022 4.372 4.350 0.001 0.000 0.191 219 E C 2.261 178.867 176.600 0.009 0.000 0.960 219 E CA -0.357 55.878 56.400 -0.275 0.000 0.824 219 E CB 0.045 29.549 29.700 -0.326 0.000 0.793 219 E HN 0.317 nan 8.360 nan 0.000 0.459 220 R N 0.348 120.889 120.500 0.069 0.000 2.261 220 R HA -0.094 4.246 4.340 0.001 0.000 0.236 220 R C 1.748 178.143 176.300 0.158 0.000 1.141 220 R CA 0.892 57.053 56.100 0.103 0.000 1.001 220 R CB -0.359 30.004 30.300 0.106 0.000 0.866 220 R HN 0.197 nan 8.270 nan 0.000 0.468 221 F N 0.539 120.532 119.950 0.073 0.000 2.446 221 F HA 0.018 4.545 4.527 0.000 0.000 0.292 221 F C 2.605 178.503 175.800 0.165 0.000 1.096 221 F CA 0.573 58.671 58.000 0.163 0.000 1.438 221 F CB -0.103 38.978 39.000 0.135 0.000 1.107 221 F HN -0.092 nan 8.300 nan 0.000 0.546 222 Q N 0.896 120.853 119.800 0.262 0.000 1.990 222 Q HA -0.236 4.105 4.340 0.001 0.000 0.200 222 Q C 2.245 178.343 176.000 0.164 0.000 0.980 222 Q CA 2.094 58.011 55.803 0.190 0.000 0.832 222 Q CB -0.698 28.135 28.738 0.159 0.000 0.897 222 Q HN 0.497 nan 8.270 nan 0.000 0.427 223 Q N -1.263 118.623 119.800 0.144 0.000 2.268 223 Q HA -0.252 4.088 4.340 0.001 0.000 0.210 223 Q C 1.717 177.820 176.000 0.171 0.000 0.988 223 Q CA 1.722 57.603 55.803 0.130 0.000 0.883 223 Q CB -0.495 28.297 28.738 0.090 0.000 0.911 223 Q HN 0.492 nan 8.270 nan 0.000 0.430 224 Y N 0.542 120.838 120.300 -0.007 0.000 2.092 224 Y HA -0.153 4.398 4.550 0.002 0.000 0.282 224 Y C 2.633 178.542 175.900 0.016 0.000 1.126 224 Y CA 1.491 59.574 58.100 -0.029 0.000 1.111 224 Y CB -1.119 37.255 38.460 -0.145 0.000 0.987 224 Y HN 0.266 nan 8.280 nan 0.000 0.489 225 S N 0.013 115.685 115.700 -0.047 0.000 2.378 225 S HA -0.290 4.181 4.470 0.001 0.000 0.229 225 S C 1.941 176.445 174.600 -0.160 0.000 1.052 225 S CA 2.061 60.128 58.200 -0.221 0.000 1.084 225 S CB -0.435 62.702 63.200 -0.105 0.000 0.950 225 S HN 0.675 nan 8.310 nan 0.000 0.440 226 E N -0.067 120.112 120.200 -0.035 0.000 2.031 226 E HA -0.217 4.134 4.350 0.001 0.000 0.193 226 E C 2.152 178.744 176.600 -0.012 0.000 0.994 226 E CA 1.510 57.896 56.400 -0.022 0.000 0.800 226 E CB -0.307 29.428 29.700 0.058 0.000 0.752 226 E HN 0.473 nan 8.360 nan 0.000 0.447 227 M N 0.765 120.392 119.600 0.045 0.000 2.226 227 M HA -0.243 4.237 4.480 0.001 0.000 0.257 227 M C 2.188 178.503 176.300 0.025 0.000 1.070 227 M CA 1.776 57.115 55.300 0.066 0.000 1.087 227 M CB -0.201 32.493 32.600 0.157 0.000 1.278 227 M HN 0.060 nan 8.290 nan 0.000 0.426 228 M N -0.635 118.958 119.600 -0.012 0.000 2.279 228 M HA -0.122 4.358 4.480 0.001 0.000 0.264 228 M C 2.203 178.429 176.300 -0.123 0.000 1.062 228 M CA 1.481 56.745 55.300 -0.061 0.000 1.099 228 M CB -1.585 30.930 32.600 -0.142 0.000 1.394 228 M HN 0.528 nan 8.290 nan 0.000 0.426 229 A N 1.811 124.539 122.820 -0.154 0.000 1.837 229 A HA -0.245 4.076 4.320 0.001 0.000 0.216 229 A C 2.023 179.556 177.584 -0.086 0.000 1.210 229 A CA 2.348 54.295 52.037 -0.150 0.000 0.632 229 A CB -0.996 17.911 19.000 -0.155 0.000 0.843 229 A HN 0.662 nan 8.150 nan 0.000 0.448 230 E N -0.531 119.636 120.200 -0.055 0.000 2.031 230 E HA -0.244 4.106 4.350 0.001 0.000 0.193 230 E C 1.448 178.058 176.600 0.017 0.000 0.994 230 E CA 1.276 57.662 56.400 -0.024 0.000 0.800 230 E CB -0.599 29.084 29.700 -0.027 0.000 0.752 230 E HN 0.482 nan 8.360 nan 0.000 0.447 231 D N 0.905 121.318 120.400 0.021 0.000 2.127 231 D HA -0.238 4.402 4.640 0.001 0.000 0.190 231 D C 1.941 178.296 176.300 0.091 0.000 1.000 231 D CA 1.868 55.907 54.000 0.066 0.000 0.839 231 D CB -0.382 40.455 40.800 0.061 0.000 0.955 231 D HN 0.217 nan 8.370 nan 0.000 0.446 232 E N 0.782 121.000 120.200 0.030 0.000 2.033 232 E HA -0.222 4.128 4.350 0.001 0.000 0.199 232 E C 1.968 178.576 176.600 0.012 0.000 1.011 232 E CA 1.748 58.152 56.400 0.007 0.000 0.815 232 E CB -0.434 29.235 29.700 -0.051 0.000 0.755 232 E HN 0.345 nan 8.360 nan 0.000 0.451 233 Q N -0.693 119.110 119.800 0.004 0.000 2.135 233 Q HA -0.205 4.136 4.340 0.001 0.000 0.204 233 Q C 2.107 178.143 176.000 0.060 0.000 0.981 233 Q CA 1.465 57.269 55.803 0.001 0.000 0.856 233 Q CB -0.466 28.260 28.738 -0.020 0.000 0.902 233 Q HN 0.387 nan 8.270 nan 0.000 0.425 234 F N 1.613 121.532 119.950 -0.051 0.000 2.000 234 F HA -0.314 4.213 4.527 0.000 0.000 0.296 234 F C 1.883 177.658 175.800 -0.042 0.000 1.159 234 F CA 1.588 59.562 58.000 -0.042 0.000 1.183 234 F CB -0.985 37.995 39.000 -0.034 0.000 0.959 234 F HN 0.132 nan 8.300 nan 0.000 0.490 235 L N 1.008 122.130 121.223 -0.169 0.000 2.058 235 L HA -0.320 4.021 4.340 0.001 0.000 0.226 235 L C 2.521 179.249 176.870 -0.237 0.000 1.089 235 L CA 2.157 56.830 54.840 -0.278 0.000 0.799 235 L CB -1.590 40.414 42.059 -0.091 0.000 0.900 235 L HN 0.287 nan 8.230 nan 0.000 0.442 236 E N -0.517 119.602 120.200 -0.135 0.000 2.086 236 E HA -0.319 4.031 4.350 0.001 0.000 0.205 236 E C 2.093 178.608 176.600 -0.142 0.000 1.027 236 E CA 1.755 58.086 56.400 -0.115 0.000 0.830 236 E CB -0.304 29.348 29.700 -0.080 0.000 0.751 236 E HN 0.654 nan 8.360 nan 0.000 0.456 237 E N 0.358 120.465 120.200 -0.155 0.000 2.033 237 E HA -0.235 4.116 4.350 0.001 0.000 0.199 237 E C 2.383 178.865 176.600 -0.198 0.000 1.011 237 E CA 1.367 57.676 56.400 -0.150 0.000 0.815 237 E CB -0.144 29.483 29.700 -0.122 0.000 0.755 237 E HN 0.078 nan 8.360 nan 0.000 0.451 238 L N 1.145 122.180 121.223 -0.315 0.000 1.971 238 L HA -0.266 4.074 4.340 0.001 0.000 0.215 238 L C 2.652 179.398 176.870 -0.206 0.000 1.072 238 L CA 2.174 56.838 54.840 -0.293 0.000 0.758 238 L CB -0.951 40.865 42.059 -0.405 0.000 0.889 238 L HN 0.281 nan 8.230 nan 0.000 0.433 239 A N -0.368 122.335 122.820 -0.196 0.000 1.870 239 A HA -0.372 3.949 4.320 0.001 0.000 0.219 239 A C 2.472 179.976 177.584 -0.134 0.000 1.286 239 A CA 3.154 55.099 52.037 -0.155 0.000 0.682 239 A CB -1.519 17.404 19.000 -0.128 0.000 0.844 239 A HN 0.483 nan 8.150 nan 0.000 0.460 240 A N -0.665 122.084 122.820 -0.119 0.000 1.873 240 A HA -0.377 3.943 4.320 0.001 0.000 0.219 240 A C 1.864 179.389 177.584 -0.099 0.000 1.269 240 A CA 2.482 54.459 52.037 -0.099 0.000 0.671 240 A CB -1.320 17.628 19.000 -0.087 0.000 0.842 240 A HN 0.640 nan 8.150 nan 0.000 0.460 241 D N -0.460 119.879 120.400 -0.101 0.000 2.160 241 D HA -0.237 4.403 4.640 0.001 0.000 0.189 241 D C 2.314 178.555 176.300 -0.098 0.000 1.003 241 D CA 1.972 55.917 54.000 -0.092 0.000 0.846 241 D CB -0.575 40.168 40.800 -0.094 0.000 0.949 241 D HN 0.476 nan 8.370 nan 0.000 0.446 242 A N 1.326 124.073 122.820 -0.121 0.000 1.863 242 A HA -0.267 4.054 4.320 0.001 0.000 0.218 242 A C 2.297 179.810 177.584 -0.117 0.000 1.233 242 A CA 2.276 54.233 52.037 -0.133 0.000 0.655 242 A CB -1.281 17.612 19.000 -0.178 0.000 0.839 242 A HN 0.320 nan 8.150 nan 0.000 0.454 243 L N 0.120 121.273 121.223 -0.117 0.000 2.026 243 L HA -0.355 3.986 4.340 0.001 0.000 0.231 243 L C 1.959 178.778 176.870 -0.086 0.000 1.095 243 L CA 3.091 57.870 54.840 -0.101 0.000 0.810 243 L CB -0.939 41.060 42.059 -0.100 0.000 0.909 243 L HN 0.513 nan 8.230 nan 0.000 0.444 244 N N -0.341 118.312 118.700 -0.079 0.000 2.137 244 N HA -0.192 4.549 4.740 0.001 0.000 0.190 244 N C 1.335 176.813 175.510 -0.052 0.000 1.017 244 N CA 1.795 54.807 53.050 -0.063 0.000 0.859 244 N CB -0.207 38.247 38.487 -0.055 0.000 1.002 244 N HN 0.490 nan 8.380 nan 0.000 0.428 245 K N -0.250 120.117 120.400 -0.055 0.000 2.505 245 K HA 0.125 4.446 4.320 0.001 0.000 0.192 245 K C 0.339 176.918 176.600 -0.035 0.000 1.025 245 K CA 0.296 56.557 56.287 -0.043 0.000 1.086 245 K CB 0.633 33.104 32.500 -0.049 0.000 0.840 245 K HN 0.105 nan 8.250 nan 0.000 0.514 246 V N -1.722 118.170 119.914 -0.037 0.000 3.411 246 V HA 0.205 4.325 4.120 0.001 0.000 0.287 246 V C 0.134 176.216 176.094 -0.020 0.000 1.543 246 V CA -0.447 61.848 62.300 -0.008 0.000 1.028 246 V CB 0.136 31.969 31.823 0.016 0.000 0.840 246 V HN 0.191 nan 8.190 nan 0.000 0.435 247 M N 2.199 121.767 119.600 -0.053 0.000 2.201 247 M HA 0.372 4.853 4.480 0.001 0.000 0.345 247 M C 0.285 176.544 176.300 -0.068 0.000 1.352 247 M CA -0.129 55.117 55.300 -0.091 0.000 1.218 247 M CB -0.288 32.244 32.600 -0.112 0.000 1.512 247 M HN 0.375 nan 8.290 nan 0.000 0.447 248 E N 2.489 122.649 120.200 -0.066 0.000 2.529 248 E HA -0.117 4.234 4.350 0.001 0.000 0.259 248 E C 0.531 177.086 176.600 -0.075 0.000 0.966 248 E CA 0.550 56.944 56.400 -0.010 0.000 0.937 248 E CB 0.962 30.677 29.700 0.026 0.000 0.923 248 E HN 0.523 nan 8.360 nan 0.000 0.468 249 K N 2.677 123.133 120.400 0.093 0.000 3.134 249 K HA 0.030 4.351 4.320 0.001 0.000 0.164 249 K C 0.389 177.093 176.600 0.174 0.000 1.133 249 K CA -0.351 55.978 56.287 0.070 0.000 1.402 249 K CB -0.145 32.401 32.500 0.075 0.000 1.945 249 K HN 0.123 nan 8.250 nan 0.000 0.482 250 Q N 1.542 121.472 119.800 0.218 0.000 2.300 250 Q HA 0.113 4.453 4.340 0.001 0.000 0.262 250 Q C -1.099 175.097 176.000 0.326 0.000 1.109 250 Q CA 0.580 56.499 55.803 0.194 0.000 0.905 250 Q CB -0.092 28.696 28.738 0.083 0.000 1.280 250 Q HN 0.512 nan 8.270 nan 0.000 0.426 251 H N 1.370 120.439 119.070 -0.002 0.000 3.889 251 H HA 0.443 4.999 4.556 0.000 0.000 0.351 251 H C 0.430 175.768 175.328 0.016 0.000 1.657 251 H CA -1.078 54.976 56.048 0.010 0.000 1.319 251 H CB 1.034 30.803 29.762 0.012 0.000 1.314 251 H HN 0.394 nan 8.280 nan 0.000 0.771 252 R N 0.164 120.774 120.500 0.185 0.000 2.087 252 R HA 0.041 4.382 4.340 0.001 0.000 0.216 252 R C -0.506 175.858 176.300 0.105 0.000 1.114 252 R CA 0.856 57.029 56.100 0.121 0.000 1.002 252 R CB 0.242 30.610 30.300 0.113 0.000 0.903 252 R HN 0.528 nan 8.270 nan 0.000 0.445 253 D N -1.215 119.255 120.400 0.117 0.000 2.490 253 D HA 0.419 5.059 4.640 0.001 0.000 0.232 253 D C -1.220 175.065 176.300 -0.025 0.000 1.053 253 D CA -0.446 53.576 54.000 0.038 0.000 0.914 253 D CB 2.058 42.898 40.800 0.067 0.000 1.431 253 D HN 0.102 nan 8.370 nan 0.000 0.483 254 A N 0.210 122.950 122.820 -0.133 0.000 2.303 254 A HA 0.769 5.089 4.320 0.001 0.000 0.317 254 A C -0.363 177.043 177.584 -0.298 0.000 1.149 254 A CA -0.358 51.495 52.037 -0.306 0.000 0.822 254 A CB 0.960 19.785 19.000 -0.292 0.000 1.131 254 A HN 0.536 nan 8.150 nan 0.000 0.493 255 A N 0.573 123.136 122.820 -0.428 0.000 2.322 255 A HA 0.796 5.117 4.320 0.001 0.000 0.327 255 A C -0.989 176.462 177.584 -0.220 0.000 1.134 255 A CA -0.489 51.408 52.037 -0.234 0.000 0.831 255 A CB 1.158 20.060 19.000 -0.163 0.000 1.288 255 A HN 1.909 nan 8.150 nan 0.000 0.472 256 L N 0.248 121.398 121.223 -0.122 0.000 2.470 256 L HA 0.594 4.935 4.340 0.001 0.000 0.268 256 L C -0.683 176.182 176.870 -0.007 0.000 0.964 256 L CA 0.010 54.791 54.840 -0.098 0.000 0.839 256 L CB 2.062 44.010 42.059 -0.184 0.000 1.276 256 L HN 0.420 nan 8.230 nan 0.000 0.403 257 S N 5.907 121.623 115.700 0.028 0.000 2.422 257 S HA 0.308 4.779 4.470 0.001 0.000 0.283 257 S C 1.702 176.355 174.600 0.087 0.000 1.163 257 S CA -0.613 57.620 58.200 0.055 0.000 1.054 257 S CB 0.194 63.427 63.200 0.054 0.000 0.967 257 S HN 0.600 nan 8.310 nan 0.000 0.499 258 I N 3.413 124.015 120.570 0.053 0.000 2.194 258 I HA -0.190 3.981 4.170 0.001 0.000 0.246 258 I C 2.452 178.637 176.117 0.112 0.000 1.093 258 I CA 1.581 62.902 61.300 0.036 0.000 1.355 258 I CB -1.988 36.014 38.000 0.005 0.000 1.046 258 I HN 0.711 nan 8.210 nan 0.000 0.413 259 G N 2.693 111.549 108.800 0.092 0.000 2.701 259 G HA2 -0.219 3.742 3.960 0.001 0.000 0.215 259 G HA3 -0.219 3.742 3.960 0.001 0.000 0.215 259 G C -0.299 174.666 174.900 0.107 0.000 1.297 259 G CA 1.278 46.431 45.100 0.088 0.000 0.807 259 G HN 0.314 nan 8.290 nan 0.000 0.608 260 P HA -0.227 nan 4.420 nan 0.000 0.216 260 P C 1.808 179.159 177.300 0.086 0.000 1.157 260 P CA 1.478 64.617 63.100 0.065 0.000 0.880 260 P CB -0.258 31.470 31.700 0.047 0.000 0.791 261 F N 0.671 120.613 119.950 -0.013 0.000 2.015 261 F HA -0.232 4.295 4.527 0.000 0.000 0.297 261 F C 2.403 178.198 175.800 -0.008 0.000 1.141 261 F CA 1.627 59.617 58.000 -0.016 0.000 1.192 261 F CB -1.032 37.960 39.000 -0.013 0.000 0.957 261 F HN -0.286 nan 8.300 nan 0.000 0.491 262 L N 0.226 121.777 121.223 0.546 0.000 2.353 262 L HA -0.186 4.155 4.340 0.001 0.000 0.220 262 L C 2.114 179.068 176.870 0.141 0.000 1.133 262 L CA 1.211 56.286 54.840 0.391 0.000 0.798 262 L CB -0.492 41.718 42.059 0.252 0.000 0.922 262 L HN 0.307 nan 8.230 nan 0.000 0.445 263 E N -0.552 119.696 120.200 0.079 0.000 2.285 263 E HA -0.065 4.285 4.350 0.001 0.000 0.194 263 E C 0.932 177.518 176.600 -0.022 0.000 0.997 263 E CA -0.130 56.285 56.400 0.025 0.000 0.845 263 E CB 0.140 29.852 29.700 0.019 0.000 0.782 263 E HN 0.416 nan 8.360 nan 0.000 0.491 264 L N 1.610 122.785 121.223 -0.080 0.000 2.453 264 L HA -0.030 4.310 4.340 0.001 0.000 0.283 264 L C -2.054 174.758 176.870 -0.097 0.000 1.284 264 L CA -0.997 53.755 54.840 -0.147 0.000 0.822 264 L CB -0.290 41.569 42.059 -0.333 0.000 1.081 264 L HN -0.082 nan 8.230 nan 0.000 0.562 265 P HA 0.284 nan 4.420 nan 0.000 0.292 265 P C -0.361 176.898 177.300 -0.069 0.000 1.283 265 P CA -0.623 62.439 63.100 -0.063 0.000 0.835 265 P CB 1.192 32.858 31.700 -0.057 0.000 1.017 266 R N 3.019 123.505 120.500 -0.023 0.000 2.096 266 R HA -0.139 4.202 4.340 0.001 0.000 0.240 266 R C -0.766 175.523 176.300 -0.018 0.000 1.139 266 R CA 2.270 58.371 56.100 0.001 0.000 0.952 266 R CB -1.876 28.443 30.300 0.033 0.000 0.854 266 R HN 0.489 nan 8.270 nan 0.000 0.436 267 P HA -0.214 nan 4.420 nan 0.000 0.220 267 P C 1.013 178.282 177.300 -0.052 0.000 1.155 267 P CA 1.582 64.668 63.100 -0.022 0.000 0.880 267 P CB -0.011 31.677 31.700 -0.021 0.000 0.790 268 L N -1.559 119.607 121.223 -0.096 0.000 2.127 268 L HA -0.106 4.234 4.340 0.001 0.000 0.203 268 L C 2.701 179.458 176.870 -0.187 0.000 1.080 268 L CA 1.248 56.000 54.840 -0.146 0.000 0.768 268 L CB -1.130 40.818 42.059 -0.185 0.000 0.924 268 L HN -0.085 nan 8.230 nan 0.000 0.444 269 Q N -0.119 119.533 119.800 -0.246 0.000 2.118 269 Q HA -0.326 4.015 4.340 0.001 0.000 0.211 269 Q C 2.272 178.306 176.000 0.057 0.000 0.998 269 Q CA 1.978 57.608 55.803 -0.289 0.000 0.872 269 Q CB -0.332 28.397 28.738 -0.014 0.000 0.925 269 Q HN 0.372 nan 8.270 nan 0.000 0.414 270 R N 0.321 120.851 120.500 0.051 0.000 2.096 270 R HA -0.142 4.198 4.340 0.001 0.000 0.229 270 R C 2.441 178.766 176.300 0.043 0.000 1.134 270 R CA 1.586 57.730 56.100 0.073 0.000 0.917 270 R CB -0.028 30.299 30.300 0.045 0.000 0.832 270 R HN 0.148 nan 8.270 nan 0.000 0.430 271 R N 0.121 120.616 120.500 -0.009 0.000 2.122 271 R HA -0.182 4.159 4.340 0.001 0.000 0.236 271 R C 2.345 178.628 176.300 -0.027 0.000 1.129 271 R CA 2.110 58.193 56.100 -0.028 0.000 0.925 271 R CB -1.447 28.815 30.300 -0.063 0.000 0.850 271 R HN 0.400 nan 8.270 nan 0.000 0.431 272 V N -0.335 119.547 119.914 -0.054 0.000 2.453 272 V HA -0.233 3.888 4.120 0.001 0.000 0.252 272 V C 2.454 178.552 176.094 0.006 0.000 1.068 272 V CA 1.741 64.010 62.300 -0.052 0.000 1.070 272 V CB -0.856 30.912 31.823 -0.091 0.000 0.664 272 V HN 0.171 nan 8.190 nan 0.000 0.461 273 L N -0.340 120.934 121.223 0.085 0.000 1.973 273 L HA -0.183 4.158 4.340 0.001 0.000 0.208 273 L C 3.108 180.009 176.870 0.052 0.000 1.073 273 L CA 2.410 57.318 54.840 0.113 0.000 0.746 273 L CB -0.906 41.265 42.059 0.187 0.000 0.891 273 L HN 0.348 nan 8.230 nan 0.000 0.433 274 Q N -0.077 119.750 119.800 0.045 0.000 2.103 274 Q HA -0.277 4.064 4.340 0.001 0.000 0.213 274 Q C 2.249 178.242 176.000 -0.011 0.000 1.008 274 Q CA 1.742 57.558 55.803 0.023 0.000 0.879 274 Q CB -0.362 28.385 28.738 0.016 0.000 0.946 274 Q HN 0.506 nan 8.270 nan 0.000 0.413 275 L N 0.221 121.425 121.223 -0.032 0.000 1.994 275 L HA -0.189 4.151 4.340 0.001 0.000 0.208 275 L C 2.503 179.320 176.870 -0.087 0.000 1.071 275 L CA 0.807 55.612 54.840 -0.058 0.000 0.745 275 L CB -0.986 41.032 42.059 -0.069 0.000 0.892 275 L HN 0.387 nan 8.230 nan 0.000 0.431 276 L N 0.798 121.961 121.223 -0.100 0.000 2.017 276 L HA -0.314 4.026 4.340 0.001 0.000 0.234 276 L C 2.616 179.380 176.870 -0.178 0.000 1.097 276 L CA 2.427 57.170 54.840 -0.161 0.000 0.816 276 L CB -0.836 41.111 42.059 -0.188 0.000 0.914 276 L HN 0.250 nan 8.230 nan 0.000 0.444 277 L N -1.060 120.082 121.223 -0.136 0.000 2.141 277 L HA -0.212 4.129 4.340 0.001 0.000 0.209 277 L C 2.479 179.170 176.870 -0.298 0.000 1.094 277 L CA 0.458 55.154 54.840 -0.240 0.000 0.763 277 L CB -0.868 41.123 42.059 -0.113 0.000 0.908 277 L HN 0.315 nan 8.230 nan 0.000 0.437 278 L N 0.653 121.800 121.223 -0.128 0.000 1.989 278 L HA -0.212 4.128 4.340 0.001 0.000 0.211 278 L C 2.771 179.584 176.870 -0.095 0.000 1.071 278 L CA 1.836 56.640 54.840 -0.059 0.000 0.749 278 L CB -0.835 41.205 42.059 -0.032 0.000 0.890 278 L HN 0.229 nan 8.230 nan 0.000 0.431 279 R N -0.429 119.996 120.500 -0.127 0.000 2.112 279 R HA -0.191 4.150 4.340 0.001 0.000 0.242 279 R C 2.213 178.404 176.300 -0.181 0.000 1.137 279 R CA 2.128 58.151 56.100 -0.129 0.000 0.944 279 R CB -0.622 29.592 30.300 -0.143 0.000 0.857 279 R HN 0.500 nan 8.270 nan 0.000 0.435 280 L N 0.097 121.125 121.223 -0.325 0.000 2.642 280 L HA -0.115 4.225 4.340 0.001 0.000 0.236 280 L C 0.582 177.120 176.870 -0.554 0.000 1.169 280 L CA 0.863 55.395 54.840 -0.513 0.000 0.851 280 L CB -0.208 41.458 42.059 -0.655 0.000 0.968 280 L HN 0.542 nan 8.230 nan 0.000 0.453 281 Y N -3.581 116.677 120.300 -0.070 0.000 2.744 281 Y HA 0.311 4.861 4.550 -0.000 0.000 0.287 281 Y C 0.538 176.434 175.900 -0.006 0.000 0.926 281 Y CA -0.490 57.597 58.100 -0.022 0.000 1.131 281 Y CB -0.233 38.234 38.460 0.013 0.000 1.372 281 Y HN -0.248 nan 8.280 nan 0.000 0.519 282 G N 0.711 109.739 108.800 0.381 0.000 2.372 282 G HA2 0.499 4.460 3.960 0.001 0.000 0.207 282 G HA3 0.499 4.460 3.960 0.001 0.000 0.207 282 G C 0.280 175.294 174.900 0.190 0.000 1.473 282 G CA -0.071 45.148 45.100 0.199 0.000 1.183 282 G HN 1.444 nan 8.290 nan 0.000 0.607 283 G N 0.555 109.454 108.800 0.165 0.000 2.167 283 G HA2 0.190 4.151 3.960 0.001 0.000 0.233 283 G HA3 0.190 4.151 3.960 0.001 0.000 0.233 283 G C 0.826 175.767 174.900 0.067 0.000 0.493 283 G CA 0.884 46.049 45.100 0.108 0.000 1.034 283 G HN 2.073 nan 8.290 nan 0.000 0.410 284 V N 1.219 121.166 119.914 0.054 0.000 3.214 284 V HA 0.513 4.634 4.120 0.001 0.000 0.306 284 V C -0.423 175.658 176.094 -0.022 0.000 1.078 284 V CA -1.213 61.048 62.300 -0.066 0.000 1.077 284 V CB 1.019 32.693 31.823 -0.248 0.000 1.121 284 V HN 0.307 nan 8.190 nan 0.000 0.468 285 P HA 0.085 nan 4.420 nan 0.000 0.212 285 P C -1.613 175.697 177.300 0.018 0.000 1.180 285 P CA 1.134 64.233 63.100 -0.003 0.000 0.902 285 P CB -1.190 30.505 31.700 -0.009 0.000 0.778 286 P HA 0.091 nan 4.420 nan 0.000 0.220 286 P C -0.112 177.258 177.300 0.116 0.000 1.778 286 P CA 0.687 63.818 63.100 0.052 0.000 0.912 286 P CB -0.516 31.206 31.700 0.037 0.000 1.861 287 T N 0.276 114.899 114.554 0.114 0.000 3.132 287 T HA 0.194 4.544 4.350 0.001 0.000 0.274 287 T C 0.625 175.541 174.700 0.361 0.000 1.011 287 T CA -0.349 61.842 62.100 0.151 0.000 0.899 287 T CB -0.754 68.121 68.868 0.013 0.000 1.089 287 T HN 0.031 nan 8.240 nan 0.000 0.543 288 L N 3.264 124.622 121.223 0.225 0.000 3.796 288 L HA -0.232 4.108 4.340 0.001 0.000 0.509 288 L C 1.826 178.789 176.870 0.155 0.000 1.012 288 L CA 0.337 55.250 54.840 0.122 0.000 0.810 288 L CB -2.010 40.029 42.059 -0.034 0.000 0.970 288 L HN 0.430 nan 8.230 nan 0.000 0.703 289 T N -0.670 113.962 114.554 0.130 0.000 2.341 289 T HA -0.338 4.013 4.350 0.001 0.000 0.231 289 T C 1.774 176.521 174.700 0.079 0.000 1.443 289 T CA 1.466 63.636 62.100 0.116 0.000 1.212 289 T CB -0.675 68.240 68.868 0.079 0.000 0.862 289 T HN 0.716 nan 8.240 nan 0.000 0.398 290 S N 2.172 117.900 115.700 0.047 0.000 2.068 290 S HA -0.338 4.132 4.470 0.001 0.000 0.498 290 S C 2.176 176.771 174.600 -0.009 0.000 0.963 290 S CA 3.075 61.288 58.200 0.022 0.000 3.049 290 S CB -1.994 61.208 63.200 0.003 0.000 2.163 290 S HN 1.298 nan 8.310 nan 0.000 0.541 291 V N 2.266 122.113 119.914 -0.113 0.000 2.231 291 V HA -0.315 3.805 4.120 0.001 0.000 0.250 291 V C 2.243 178.118 176.094 -0.364 0.000 1.058 291 V CA 2.615 64.729 62.300 -0.310 0.000 1.022 291 V CB -1.359 30.150 31.823 -0.523 0.000 0.640 291 V HN 0.628 nan 8.190 nan 0.000 0.445 292 H N 0.025 119.011 119.070 -0.141 0.000 2.256 292 H HA 0.037 4.594 4.556 0.001 0.000 0.301 292 H C 2.497 177.837 175.328 0.020 0.000 1.062 292 H CA 2.258 58.250 56.048 -0.093 0.000 1.283 292 H CB -0.400 29.339 29.762 -0.038 0.000 1.379 292 H HN 0.451 nan 8.280 nan 0.000 0.493 293 I N 0.813 121.498 120.570 0.192 0.000 2.143 293 I HA -0.318 3.853 4.170 0.001 0.000 0.245 293 I C 2.744 178.946 176.117 0.140 0.000 1.068 293 I CA 1.590 62.981 61.300 0.151 0.000 1.326 293 I CB -0.598 37.478 38.000 0.127 0.000 1.028 293 I HN 0.345 nan 8.210 nan 0.000 0.412 294 G N -0.677 108.204 108.800 0.134 0.000 2.553 294 G HA2 -0.345 3.616 3.960 0.001 0.000 0.218 294 G HA3 -0.345 3.616 3.960 0.001 0.000 0.218 294 G C 1.351 176.361 174.900 0.183 0.000 1.195 294 G CA 1.364 46.553 45.100 0.149 0.000 0.779 294 G HN 0.379 nan 8.290 nan 0.000 0.577 295 H N 0.532 119.608 119.070 0.011 0.000 2.289 295 H HA -0.061 4.496 4.556 0.001 0.000 0.296 295 H C 2.730 178.050 175.328 -0.013 0.000 1.091 295 H CA 1.151 57.196 56.048 -0.006 0.000 1.274 295 H CB -0.354 29.404 29.762 -0.007 0.000 1.364 295 H HN 0.196 nan 8.280 nan 0.000 0.490 296 I N 0.105 120.756 120.570 0.134 0.000 2.053 296 I HA -0.295 3.876 4.170 0.001 0.000 0.236 296 I C 2.502 178.615 176.117 -0.005 0.000 1.038 296 I CA 1.253 62.576 61.300 0.039 0.000 1.304 296 I CB -1.315 36.728 38.000 0.072 0.000 1.023 296 I HN 0.206 nan 8.210 nan 0.000 0.395 297 L N -0.420 120.817 121.223 0.022 0.000 2.064 297 L HA -0.288 4.053 4.340 0.001 0.000 0.216 297 L C 2.735 179.595 176.870 -0.016 0.000 1.077 297 L CA 2.110 56.953 54.840 0.004 0.000 0.766 297 L CB -0.556 41.547 42.059 0.073 0.000 0.890 297 L HN 0.246 nan 8.230 nan 0.000 0.435 298 M N -1.495 118.096 119.600 -0.014 0.000 2.080 298 M HA -0.247 4.234 4.480 0.001 0.000 0.260 298 M C 2.040 178.300 176.300 -0.066 0.000 1.068 298 M CA 1.648 56.917 55.300 -0.052 0.000 1.109 298 M CB -0.305 32.231 32.600 -0.107 0.000 1.342 298 M HN 0.224 nan 8.290 nan 0.000 0.405 299 L N -0.389 120.794 121.223 -0.068 0.000 2.447 299 L HA -0.237 4.103 4.340 0.001 0.000 0.225 299 L C 1.237 178.061 176.870 -0.077 0.000 1.148 299 L CA 1.296 56.091 54.840 -0.075 0.000 0.808 299 L CB -0.477 41.540 42.059 -0.070 0.000 0.928 299 L HN 0.555 nan 8.230 nan 0.000 0.448 300 C N -1.156 118.095 119.300 -0.082 0.000 3.019 300 C HA 0.100 4.561 4.460 0.001 0.000 0.295 300 C C 2.065 177.021 174.990 -0.056 0.000 1.256 300 C CA -0.354 58.609 59.018 -0.092 0.000 1.706 300 C CB 0.075 27.710 27.740 -0.174 0.000 2.153 300 C HN 0.470 nan 8.230 nan 0.000 0.618 301 E N 0.473 120.648 120.200 -0.041 0.000 2.472 301 E HA 0.071 4.422 4.350 0.001 0.000 0.196 301 E C 0.764 177.346 176.600 -0.030 0.000 1.033 301 E CA -0.142 56.245 56.400 -0.021 0.000 0.886 301 E CB 0.250 29.947 29.700 -0.005 0.000 0.944 301 E HN 0.360 nan 8.360 nan 0.000 0.492 302 R N 0.272 120.744 120.500 -0.047 0.000 2.829 302 R HA -0.068 4.272 4.340 0.001 0.000 0.267 302 R C 1.326 177.597 176.300 -0.048 0.000 0.985 302 R CA 0.751 56.819 56.100 -0.054 0.000 1.128 302 R CB -0.074 30.184 30.300 -0.069 0.000 1.010 302 R HN 0.306 nan 8.270 nan 0.000 0.449 303 G N 1.162 109.932 108.800 -0.051 0.000 2.490 303 G HA2 -0.071 3.890 3.960 0.001 0.000 0.211 303 G HA3 -0.071 3.890 3.960 0.001 0.000 0.211 303 G C 0.081 174.938 174.900 -0.072 0.000 1.159 303 G CA -0.144 44.927 45.100 -0.049 0.000 0.819 303 G HN 0.335 nan 8.290 nan 0.000 0.539 304 R N 1.327 121.779 120.500 -0.080 0.000 2.404 304 R HA 0.231 4.572 4.340 0.001 0.000 0.315 304 R C -1.540 174.677 176.300 -0.139 0.000 1.032 304 R CA -0.969 55.068 56.100 -0.105 0.000 0.992 304 R CB 1.119 31.366 30.300 -0.089 0.000 0.959 304 R HN 0.162 nan 8.270 nan 0.000 0.428 305 P HA -0.089 nan 4.420 nan 0.000 0.216 305 P C -0.217 176.913 177.300 -0.284 0.000 1.153 305 P CA 1.081 63.981 63.100 -0.333 0.000 0.848 305 P CB 0.385 31.694 31.700 -0.651 0.000 0.787 306 S N -0.207 115.354 115.700 -0.231 0.000 2.505 306 S HA 0.511 4.982 4.470 0.001 0.000 0.276 306 S C 0.470 175.006 174.600 -0.106 0.000 1.274 306 S CA -0.011 58.102 58.200 -0.145 0.000 1.053 306 S CB 0.157 63.288 63.200 -0.114 0.000 0.919 306 S HN 0.158 nan 8.310 nan 0.000 0.490 307 G N 3.472 112.222 108.800 -0.084 0.000 2.608 307 G HA2 0.458 4.418 3.960 0.001 0.000 0.285 307 G HA3 0.458 4.418 3.960 0.001 0.000 0.285 307 G C -1.030 173.832 174.900 -0.063 0.000 1.407 307 G CA -0.528 44.528 45.100 -0.073 0.000 1.276 307 G HN 0.534 nan 8.290 nan 0.000 0.587 308 M N 2.278 121.846 119.600 -0.053 0.000 2.472 308 M HA 0.647 5.128 4.480 0.001 0.000 0.331 308 M C -0.939 175.337 176.300 -0.040 0.000 1.170 308 M CA -0.762 54.510 55.300 -0.047 0.000 1.009 308 M CB 2.090 34.669 32.600 -0.035 0.000 1.672 308 M HN 0.377 nan 8.290 nan 0.000 0.453 309 I N 1.733 122.276 120.570 -0.044 0.000 2.644 309 I HA 0.222 4.393 4.170 0.001 0.000 0.291 309 I C -1.250 174.859 176.117 -0.013 0.000 1.180 309 I CA -0.714 60.577 61.300 -0.016 0.000 1.040 309 I CB 2.500 40.485 38.000 -0.025 0.000 1.255 309 I HN 0.486 nan 8.210 nan 0.000 0.422 310 D N 6.965 127.378 120.400 0.022 0.000 2.198 310 D HA 0.558 5.198 4.640 0.001 0.000 0.245 310 D C -0.590 175.742 176.300 0.055 0.000 1.079 310 D CA -0.095 53.921 54.000 0.026 0.000 0.854 310 D CB 2.292 43.108 40.800 0.027 0.000 1.148 310 D HN 0.207 nan 8.370 nan 0.000 0.456 311 L N 2.561 123.807 121.223 0.039 0.000 2.256 311 L HA 0.470 4.811 4.340 0.001 0.000 0.261 311 L C -2.207 174.684 176.870 0.034 0.000 1.022 311 L CA -1.979 52.878 54.840 0.028 0.000 0.828 311 L CB 2.426 44.463 42.059 -0.038 0.000 1.374 311 L HN 0.104 nan 8.230 nan 0.000 0.436 312 P HA 0.026 nan 4.420 nan 0.000 0.269 312 P C -0.835 176.474 177.300 0.015 0.000 1.209 312 P CA -0.004 63.091 63.100 -0.008 0.000 0.776 312 P CB 0.511 32.168 31.700 -0.071 0.000 0.876 313 K N 1.611 122.002 120.400 -0.015 0.000 3.096 313 K HA -0.184 4.137 4.320 0.001 0.000 0.266 313 K C 0.926 177.573 176.600 0.077 0.000 1.043 313 K CA 0.592 56.880 56.287 0.001 0.000 0.758 313 K CB -2.253 30.205 32.500 -0.070 0.000 1.260 313 K HN 0.993 nan 8.250 nan 0.000 0.481 314 G N 0.630 109.461 108.800 0.052 0.000 2.296 314 G HA2 -0.328 3.632 3.960 0.001 0.000 0.282 314 G HA3 -0.328 3.632 3.960 0.001 0.000 0.282 314 G C 0.108 175.072 174.900 0.108 0.000 1.014 314 G CA 0.624 45.753 45.100 0.048 0.000 0.812 314 G HN 0.478 nan 8.290 nan 0.000 0.508 315 L N -0.641 120.688 121.223 0.176 0.000 2.380 315 L HA 0.616 4.957 4.340 0.001 0.000 0.273 315 L C 0.200 177.124 176.870 0.089 0.000 1.138 315 L CA -0.164 54.819 54.840 0.237 0.000 0.832 315 L CB 0.530 42.762 42.059 0.288 0.000 1.124 315 L HN 0.192 nan 8.230 nan 0.000 0.454 316 K N 4.269 124.705 120.400 0.059 0.000 2.375 316 K HA 0.669 4.989 4.320 0.001 0.000 0.249 316 K C -1.548 174.964 176.600 -0.145 0.000 0.942 316 K CA -0.793 55.478 56.287 -0.026 0.000 0.806 316 K CB 2.771 35.278 32.500 0.010 0.000 1.227 316 K HN 0.385 nan 8.250 nan 0.000 0.430 317 V N 3.238 123.020 119.914 -0.220 0.000 2.525 317 V HA 0.465 4.586 4.120 0.001 0.000 0.299 317 V C -0.979 174.977 176.094 -0.231 0.000 1.034 317 V CA -0.838 61.214 62.300 -0.413 0.000 0.863 317 V CB 1.271 32.718 31.823 -0.628 0.000 0.999 317 V HN 0.591 nan 8.190 nan 0.000 0.423 318 I N 3.958 124.431 120.570 -0.161 0.000 2.545 318 I HA 0.610 4.780 4.170 0.001 0.000 0.292 318 I C -0.121 175.983 176.117 -0.022 0.000 1.040 318 I CA -0.553 60.708 61.300 -0.064 0.000 1.068 318 I CB 2.137 40.128 38.000 -0.016 0.000 1.251 318 I HN 0.647 nan 8.210 nan 0.000 0.424 319 R N 3.415 123.897 120.500 -0.031 0.000 2.338 319 R HA 0.681 5.021 4.340 0.001 0.000 0.317 319 R C -0.899 175.397 176.300 -0.006 0.000 0.968 319 R CA -0.190 55.901 56.100 -0.015 0.000 0.849 319 R CB 1.316 31.587 30.300 -0.048 0.000 1.128 319 R HN 0.623 nan 8.270 nan 0.000 0.448 320 S N 4.396 120.127 115.700 0.052 0.000 2.622 320 S HA 0.308 4.778 4.470 0.001 0.000 0.283 320 S C -0.407 174.336 174.600 0.238 0.000 1.197 320 S CA -0.373 57.905 58.200 0.131 0.000 1.146 320 S CB -0.165 63.135 63.200 0.166 0.000 1.007 320 S HN 0.785 nan 8.310 nan 0.000 0.478 321 Y N 2.739 123.039 120.300 0.000 0.000 2.780 321 Y HA -0.387 4.163 4.550 0.001 0.000 0.474 321 Y C 1.489 177.392 175.900 0.005 0.000 1.117 321 Y CA 2.160 60.262 58.100 0.002 0.000 2.819 321 Y CB -1.291 37.173 38.460 0.007 0.000 1.131 321 Y HN 0.666 nan 8.280 nan 0.000 0.611 322 D N 0.284 120.809 120.400 0.208 0.000 2.379 322 D HA 0.168 4.808 4.640 0.001 0.000 0.208 322 D C 0.731 177.083 176.300 0.086 0.000 1.065 322 D CA 0.095 54.163 54.000 0.113 0.000 0.848 322 D CB 0.217 41.077 40.800 0.099 0.000 0.949 322 D HN 0.220 nan 8.370 nan 0.000 0.509 323 R N -0.523 120.038 120.500 0.102 0.000 2.546 323 R HA 0.522 4.862 4.340 0.001 0.000 0.266 323 R C -1.238 175.108 176.300 0.076 0.000 1.086 323 R CA -0.431 55.721 56.100 0.086 0.000 1.160 323 R CB 1.366 31.727 30.300 0.101 0.000 1.138 323 R HN 0.092 nan 8.270 nan 0.000 0.567 324 C N 4.249 123.602 119.300 0.088 0.000 3.078 324 C HA 0.363 4.823 4.460 0.001 0.000 0.320 324 C C -0.916 174.231 174.990 0.261 0.000 1.039 324 C CA -0.710 58.399 59.018 0.152 0.000 1.386 324 C CB -0.417 27.420 27.740 0.162 0.000 1.836 324 C HN 0.694 nan 8.230 nan 0.000 0.514 325 L N 5.224 126.575 121.223 0.213 0.000 2.360 325 L HA 0.426 4.766 4.340 0.001 0.000 0.276 325 L C -0.522 176.572 176.870 0.373 0.000 1.121 325 L CA 0.314 55.289 54.840 0.225 0.000 0.845 325 L CB 0.312 42.446 42.059 0.126 0.000 1.143 325 L HN 0.432 nan 8.230 nan 0.000 0.452 326 F N 1.781 121.701 119.950 -0.049 0.000 2.347 326 F HA 0.402 4.929 4.527 0.001 0.000 0.366 326 F C 0.460 176.244 175.800 -0.028 0.000 1.107 326 F CA -0.720 57.247 58.000 -0.054 0.000 1.058 326 F CB 1.620 40.555 39.000 -0.110 0.000 1.236 326 F HN 0.229 nan 8.300 nan 0.000 0.456 327 T N 5.191 119.839 114.554 0.157 0.000 2.881 327 T HA 0.296 4.646 4.350 0.001 0.000 0.291 327 T C 0.888 175.762 174.700 0.290 0.000 0.990 327 T CA -0.481 61.745 62.100 0.211 0.000 0.976 327 T CB 0.420 69.397 68.868 0.182 0.000 0.970 327 T HN 0.465 nan 8.240 nan 0.000 0.438 328 F N 1.548 121.528 119.950 0.050 0.000 2.558 328 F HA 0.157 4.684 4.527 -0.000 0.000 0.298 328 F C 1.582 177.407 175.800 0.042 0.000 1.119 328 F CA -0.368 57.663 58.000 0.050 0.000 1.451 328 F CB -0.055 39.003 39.000 0.096 0.000 1.091 328 F HN 0.465 nan 8.300 nan 0.000 0.563 329 D N 2.452 123.042 120.400 0.317 0.000 1.888 329 D HA 0.047 4.687 4.640 0.001 0.000 0.284 329 D C 0.474 176.779 176.300 0.009 0.000 1.384 329 D CA 2.101 56.133 54.000 0.053 0.000 1.146 329 D CB -0.218 40.671 40.800 0.148 0.000 2.055 329 D HN 0.483 nan 8.370 nan 0.000 0.666 330 A N -2.423 120.420 122.820 0.039 0.000 2.415 330 A HA 0.439 4.759 4.320 0.001 0.000 0.294 330 A C 0.088 177.691 177.584 0.032 0.000 1.019 330 A CA -0.033 52.017 52.037 0.021 0.000 0.603 330 A CB 0.283 19.281 19.000 -0.003 0.000 1.382 330 A HN 0.320 nan 8.150 nan 0.000 0.483 331 E N -0.431 119.781 120.200 0.020 0.000 2.444 331 E HA 0.200 4.551 4.350 0.001 0.000 0.203 331 E C 0.075 176.682 176.600 0.011 0.000 0.847 331 E CA 0.270 56.682 56.400 0.021 0.000 1.142 331 E CB 0.780 30.491 29.700 0.018 0.000 1.125 331 E HN 0.486 nan 8.360 nan 0.000 0.521 332 S N 0.119 115.821 115.700 0.003 0.000 2.523 332 S HA 0.482 4.952 4.470 0.001 0.000 0.275 332 S C 0.398 174.998 174.600 0.000 0.000 1.281 332 S CA 0.470 58.670 58.200 -0.001 0.000 1.050 332 S CB 1.256 64.451 63.200 -0.007 0.000 0.937 332 S HN 0.562 nan 8.310 nan 0.000 0.492 333 G N 2.901 111.702 108.800 0.002 0.000 3.050 333 G HA2 -0.072 3.888 3.960 0.001 0.000 0.234 333 G HA3 -0.072 3.888 3.960 0.001 0.000 0.234 333 G C -0.508 174.394 174.900 0.002 0.000 1.521 333 G CA -0.007 45.096 45.100 0.005 0.000 1.090 333 G HN 0.779 nan 8.290 nan 0.000 0.556 334 E N -1.112 119.086 120.200 -0.004 0.000 6.196 334 E HA 0.231 4.581 4.350 0.001 0.000 0.553 334 E C -0.698 175.895 176.600 -0.012 0.000 1.416 334 E CA 0.503 56.899 56.400 -0.008 0.000 3.029 334 E CB -0.512 29.189 29.700 0.001 0.000 0.792 334 E HN 0.833 nan 8.360 nan 0.000 0.262 335 K N -1.146 119.242 120.400 -0.021 0.000 2.770 335 K HA 0.672 4.993 4.320 0.001 0.000 0.289 335 K C -1.057 175.507 176.600 -0.059 0.000 1.051 335 K CA -0.262 56.001 56.287 -0.040 0.000 0.814 335 K CB 1.991 34.447 32.500 -0.073 0.000 1.512 335 K HN 0.974 nan 8.250 nan 0.000 0.368 336 G N 0.115 108.834 108.800 -0.134 0.000 2.484 336 G HA2 0.218 4.178 3.960 0.001 0.000 0.685 336 G HA3 0.218 4.178 3.960 0.001 0.000 0.685 336 G C -1.979 172.883 174.900 -0.063 0.000 1.294 336 G CA -0.448 44.547 45.100 -0.175 0.000 0.879 336 G HN 1.085 nan 8.290 nan 0.000 0.646 337 Y N -2.911 117.444 120.300 0.092 0.000 2.717 337 Y HA 0.697 5.247 4.550 0.001 0.000 0.345 337 Y C -1.568 174.489 175.900 0.263 0.000 1.187 337 Y CA -1.842 56.370 58.100 0.186 0.000 1.128 337 Y CB 1.141 39.648 38.460 0.078 0.000 1.360 337 Y HN 1.468 nan 8.280 nan 0.000 0.467 338 W N 5.287 126.930 121.300 0.572 0.000 3.132 338 W HA 0.695 5.355 4.660 0.001 0.000 0.337 338 W C -2.893 174.059 176.519 0.721 0.000 1.082 338 W CA -1.987 55.622 57.345 0.439 0.000 1.242 338 W CB 1.523 31.128 29.460 0.241 0.000 1.354 338 W HN 0.675 nan 8.180 nan 0.000 0.461 339 F N 3.676 123.518 119.950 -0.180 0.000 2.565 339 F HA 0.269 4.797 4.527 0.001 0.000 0.313 339 F C 0.681 176.307 175.800 -0.290 0.000 1.091 339 F CA -1.176 56.745 58.000 -0.131 0.000 0.915 339 F CB 2.499 41.402 39.000 -0.162 0.000 1.208 339 F HN 0.119 nan 8.300 nan 0.000 0.453 340 E N 1.568 121.789 120.200 0.035 0.000 2.390 340 E HA 0.188 4.539 4.350 0.001 0.000 0.261 340 E C -1.198 175.406 176.600 0.006 0.000 1.076 340 E CA -0.606 55.785 56.400 -0.015 0.000 0.905 340 E CB 1.410 31.137 29.700 0.044 0.000 0.984 340 E HN 0.239 nan 8.360 nan 0.000 0.427 341 L N 5.443 126.654 121.223 -0.020 0.000 2.313 341 L HA 0.338 4.678 4.340 0.001 0.000 0.273 341 L C -2.454 174.417 176.870 0.003 0.000 1.028 341 L CA -2.153 52.682 54.840 -0.009 0.000 0.871 341 L CB 0.719 42.758 42.059 -0.033 0.000 1.242 341 L HN 0.261 nan 8.230 nan 0.000 0.434 342 P HA 0.187 nan 4.420 nan 0.000 0.271 342 P C -1.149 176.149 177.300 -0.003 0.000 1.216 342 P CA -0.038 63.074 63.100 0.019 0.000 0.771 342 P CB 1.233 32.946 31.700 0.021 0.000 0.864 343 V N 5.347 125.264 119.914 0.005 0.000 2.577 343 V HA 0.516 4.637 4.120 0.001 0.000 0.303 343 V C -2.513 173.607 176.094 0.044 0.000 1.042 343 V CA -2.252 59.992 62.300 -0.093 0.000 0.872 343 V CB 1.966 33.642 31.823 -0.245 0.000 0.998 343 V HN 0.446 nan 8.190 nan 0.000 0.423 344 P HA 0.830 nan 4.420 nan 0.000 0.276 344 P C -0.943 176.348 177.300 -0.015 0.000 1.244 344 P CA -0.231 62.818 63.100 -0.084 0.000 0.801 344 P CB 1.441 33.127 31.700 -0.023 0.000 1.006 345 A N 1.006 123.813 122.820 -0.023 0.000 2.522 345 A HA 0.541 4.861 4.320 0.001 0.000 0.291 345 A C -2.064 175.524 177.584 0.006 0.000 1.039 345 A CA -0.581 51.457 52.037 0.002 0.000 0.643 345 A CB 0.512 19.518 19.000 0.009 0.000 1.310 345 A HN 0.517 nan 8.150 nan 0.000 0.436 346 L N 1.620 122.854 121.223 0.017 0.000 2.384 346 L HA 0.577 4.917 4.340 0.001 0.000 0.261 346 L C -1.207 175.683 176.870 0.033 0.000 1.024 346 L CA -0.528 54.326 54.840 0.024 0.000 0.899 346 L CB 0.629 42.701 42.059 0.022 0.000 1.243 346 L HN 0.723 nan 8.230 nan 0.000 0.449 347 L N 6.907 128.154 121.223 0.038 0.000 2.265 347 L HA 0.575 4.916 4.340 0.001 0.000 0.288 347 L C -2.309 174.583 176.870 0.037 0.000 1.058 347 L CA -1.530 53.341 54.840 0.052 0.000 0.809 347 L CB 1.415 43.508 42.059 0.056 0.000 1.179 347 L HN 0.370 nan 8.230 nan 0.000 0.429 348 P HA 0.356 nan 4.420 nan 0.000 0.296 348 P C -1.122 176.168 177.300 -0.018 0.000 1.306 348 P CA -0.313 62.807 63.100 0.033 0.000 0.818 348 P CB 1.327 33.056 31.700 0.048 0.000 0.969 349 L N 5.849 127.041 121.223 -0.052 0.000 2.325 349 L HA 0.393 4.734 4.340 0.001 0.000 0.278 349 L C -1.449 175.394 176.870 -0.046 0.000 1.023 349 L CA -2.308 52.430 54.840 -0.170 0.000 0.811 349 L CB 1.907 43.844 42.059 -0.204 0.000 1.249 349 L HN 0.206 nan 8.230 nan 0.000 0.431 350 P HA -0.126 nan 4.420 nan 0.000 0.231 350 P C -0.317 177.011 177.300 0.048 0.000 1.154 350 P CA 0.941 64.090 63.100 0.081 0.000 0.762 350 P CB -0.249 31.576 31.700 0.208 0.000 0.790 351 N N -1.628 117.069 118.700 -0.004 0.000 2.699 351 N HA 0.219 4.959 4.740 0.001 0.000 0.317 351 N C 0.888 176.286 175.510 -0.187 0.000 1.661 351 N CA -0.453 52.529 53.050 -0.112 0.000 0.979 351 N CB -0.875 37.502 38.487 -0.184 0.000 1.329 351 N HN -0.030 nan 8.380 nan 0.000 0.497 352 G N -0.371 108.404 108.800 -0.041 0.000 2.256 352 G HA2 -0.336 3.625 3.960 0.001 0.000 0.279 352 G HA3 -0.336 3.625 3.960 0.001 0.000 0.279 352 G C -0.520 174.547 174.900 0.280 0.000 0.998 352 G CA 1.080 46.211 45.100 0.051 0.000 0.720 352 G HN 0.462 nan 8.290 nan 0.000 0.521 353 Y N -0.664 119.615 120.300 -0.034 0.000 2.730 353 Y HA 0.856 5.406 4.550 0.001 0.000 0.325 353 Y C 0.535 176.445 175.900 0.017 0.000 1.132 353 Y CA -1.765 56.305 58.100 -0.050 0.000 1.206 353 Y CB 1.700 40.108 38.460 -0.087 0.000 1.390 353 Y HN 0.779 nan 8.280 nan 0.000 0.555 354 A N 0.177 123.142 122.820 0.242 0.000 2.583 354 A HA 0.701 5.021 4.320 0.001 0.000 0.292 354 A C -1.922 175.787 177.584 0.208 0.000 1.045 354 A CA -0.589 51.542 52.037 0.156 0.000 0.672 354 A CB 0.825 19.872 19.000 0.079 0.000 1.283 354 A HN 0.517 nan 8.150 nan 0.000 0.419 355 I N 0.749 121.398 120.570 0.132 0.000 2.493 355 I HA 0.566 4.737 4.170 0.001 0.000 0.298 355 I C -0.901 175.277 176.117 0.102 0.000 0.998 355 I CA -0.691 60.704 61.300 0.159 0.000 1.137 355 I CB 1.923 39.982 38.000 0.098 0.000 1.310 355 I HN 0.509 nan 8.210 nan 0.000 0.445 356 I N 4.134 124.770 120.570 0.111 0.000 2.436 356 I HA 0.364 4.535 4.170 0.001 0.000 0.289 356 I C -0.270 175.865 176.117 0.031 0.000 1.010 356 I CA -0.365 60.968 61.300 0.055 0.000 1.098 356 I CB 1.935 39.961 38.000 0.043 0.000 1.266 356 I HN 0.520 nan 8.210 nan 0.000 0.434 357 S N 4.435 120.124 115.700 -0.019 0.000 2.501 357 S HA 0.879 5.349 4.470 0.001 0.000 0.301 357 S C -0.733 173.773 174.600 -0.158 0.000 1.096 357 S CA -0.651 57.496 58.200 -0.088 0.000 1.063 357 S CB 1.894 65.025 63.200 -0.115 0.000 1.042 357 S HN 0.780 nan 8.310 nan 0.000 0.494 358 E N 1.063 121.121 120.200 -0.236 0.000 2.437 358 E HA 0.586 4.937 4.350 0.001 0.000 0.280 358 E C -1.730 174.651 176.600 -0.364 0.000 1.044 358 E CA -1.093 55.151 56.400 -0.261 0.000 0.826 358 E CB 0.691 30.341 29.700 -0.083 0.000 1.358 358 E HN 0.499 nan 8.360 nan 0.000 0.459 359 F N -0.056 119.905 119.950 0.019 0.000 2.432 359 F HA 0.705 5.232 4.527 0.001 0.000 0.329 359 F C 0.671 176.478 175.800 0.011 0.000 1.076 359 F CA -0.317 57.693 58.000 0.017 0.000 1.018 359 F CB 2.433 41.435 39.000 0.003 0.000 1.201 359 F HN 0.592 nan 8.300 nan 0.000 0.489 360 G N 1.761 110.700 108.800 0.232 0.000 2.744 360 G HA2 0.308 4.269 3.960 0.001 0.000 0.286 360 G HA3 0.308 4.269 3.960 0.001 0.000 0.286 360 G C -0.130 174.823 174.900 0.088 0.000 1.497 360 G CA -0.427 44.753 45.100 0.133 0.000 1.070 360 G HN 0.711 nan 8.290 nan 0.000 0.539 361 E N 2.012 122.200 120.200 -0.019 0.000 2.049 361 E HA -0.137 4.213 4.350 0.001 0.000 0.198 361 E C 0.530 177.036 176.600 -0.157 0.000 1.007 361 E CA 1.299 57.590 56.400 -0.181 0.000 0.809 361 E CB -0.092 29.387 29.700 -0.368 0.000 0.749 361 E HN 0.739 nan 8.360 nan 0.000 0.450 362 H N -1.971 117.166 119.070 0.111 0.000 2.495 362 H HA 0.226 4.782 4.556 0.001 0.000 0.350 362 H C -1.084 174.397 175.328 0.253 0.000 1.202 362 H CA -0.698 55.448 56.048 0.164 0.000 1.322 362 H CB 0.591 30.416 29.762 0.104 0.000 1.544 362 H HN 0.145 nan 8.280 nan 0.000 0.565 363 Y N 1.725 122.219 120.300 0.322 0.000 2.411 363 Y HA 0.135 4.686 4.550 0.001 0.000 0.333 363 Y C -2.033 173.858 175.900 -0.014 0.000 1.186 363 Y CA -2.148 56.028 58.100 0.126 0.000 1.381 363 Y CB 0.513 39.005 38.460 0.053 0.000 1.273 363 Y HN 0.496 nan 8.280 nan 0.000 0.546 364 P HA 0.062 nan 4.420 nan 0.000 0.264 364 P C -0.627 176.663 177.300 -0.017 0.000 1.183 364 P CA 0.495 63.501 63.100 -0.157 0.000 0.763 364 P CB 0.662 32.093 31.700 -0.449 0.000 0.807 365 R N 0.998 121.423 120.500 -0.124 0.000 2.509 365 R HA 0.075 4.415 4.340 0.001 0.000 0.297 365 R C 0.276 176.472 176.300 -0.174 0.000 0.951 365 R CA -0.204 55.834 56.100 -0.103 0.000 1.103 365 R CB 0.176 30.440 30.300 -0.061 0.000 1.283 365 R HN 0.470 nan 8.270 nan 0.000 0.534 366 K N 0.950 121.166 120.400 -0.307 0.000 2.414 366 K HA 0.023 4.344 4.320 0.001 0.000 0.272 366 K C -0.151 176.297 176.600 -0.254 0.000 0.993 366 K CA -0.236 55.854 56.287 -0.328 0.000 0.964 366 K CB 0.635 32.840 32.500 -0.491 0.000 0.925 366 K HN -0.103 nan 8.250 nan 0.000 0.487 367 Q N 0.438 120.182 119.800 -0.094 0.000 2.394 367 Q HA -0.081 4.259 4.340 0.001 0.000 0.303 367 Q C 0.163 176.295 176.000 0.220 0.000 1.117 367 Q CA 0.537 56.364 55.803 0.040 0.000 0.966 367 Q CB 0.408 29.180 28.738 0.057 0.000 1.275 367 Q HN 0.792 nan 8.270 nan 0.000 0.429 368 A N 1.009 123.965 122.820 0.226 0.000 2.583 368 A HA 0.411 4.732 4.320 0.001 0.000 0.231 368 A C 0.568 178.346 177.584 0.324 0.000 1.065 368 A CA 0.857 53.075 52.037 0.301 0.000 0.760 368 A CB -0.001 19.080 19.000 0.135 0.000 1.001 368 A HN 0.849 nan 8.150 nan 0.000 0.509 369 G N -0.457 108.439 108.800 0.161 0.000 2.356 369 G HA2 0.381 4.342 3.960 0.001 0.000 0.281 369 G HA3 0.381 4.342 3.960 0.001 0.000 0.281 369 G C -0.182 174.526 174.900 -0.319 0.000 1.246 369 G CA 0.402 45.515 45.100 0.022 0.000 0.889 369 G HN 0.643 nan 8.290 nan 0.000 0.486 370 N N -1.513 117.052 118.700 -0.224 0.000 2.160 370 N HA 0.136 4.876 4.740 0.001 0.000 0.242 370 N C 0.433 175.993 175.510 0.084 0.000 1.204 370 N CA 0.281 53.264 53.050 -0.112 0.000 0.813 370 N CB 0.822 39.360 38.487 0.085 0.000 1.384 370 N HN 0.286 nan 8.380 nan 0.000 0.476 371 D N 0.380 120.879 120.400 0.165 0.000 2.323 371 D HA 0.041 4.682 4.640 0.001 0.000 0.239 371 D C -0.174 176.350 176.300 0.372 0.000 1.129 371 D CA 0.156 54.385 54.000 0.382 0.000 0.865 371 D CB -0.128 40.822 40.800 0.251 0.000 0.913 371 D HN 0.408 nan 8.370 nan 0.000 0.517 372 W N -0.484 120.827 121.300 0.018 0.000 3.083 372 W HA 0.644 5.304 4.660 0.001 0.000 0.333 372 W C -1.890 174.325 176.519 -0.507 0.000 1.217 372 W CA -1.358 55.857 57.345 -0.216 0.000 1.170 372 W CB 0.634 30.018 29.460 -0.127 0.000 1.437 372 W HN -0.214 nan 8.180 nan 0.000 0.557 373 F N 1.731 121.415 119.950 -0.443 0.000 2.635 373 F HA 0.545 5.073 4.527 0.001 0.000 0.314 373 F C -1.984 173.701 175.800 -0.192 0.000 1.119 373 F CA -0.802 56.796 58.000 -0.670 0.000 1.000 373 F CB 1.825 39.907 39.000 -1.530 0.000 1.278 373 F HN 0.258 nan 8.300 nan 0.000 0.446 374 V N 6.222 125.982 119.914 -0.256 0.000 2.495 374 V HA 0.742 4.863 4.120 0.001 0.000 0.298 374 V C -1.151 174.939 176.094 -0.008 0.000 1.031 374 V CA -0.521 61.723 62.300 -0.094 0.000 0.871 374 V CB 2.021 33.689 31.823 -0.259 0.000 0.988 374 V HN 0.624 nan 8.190 nan 0.000 0.432 375 V N 2.584 122.579 119.914 0.135 0.000 2.735 375 V HA 0.578 4.698 4.120 0.001 0.000 0.310 375 V C -0.677 175.559 176.094 0.236 0.000 1.061 375 V CA -0.965 61.471 62.300 0.226 0.000 0.913 375 V CB 2.019 33.993 31.823 0.252 0.000 1.005 375 V HN 0.763 nan 8.190 nan 0.000 0.428 376 D N 4.378 124.922 120.400 0.239 0.000 2.313 376 D HA 0.407 5.048 4.640 0.001 0.000 0.239 376 D C -1.603 174.796 176.300 0.164 0.000 1.142 376 D CA -2.031 52.119 54.000 0.250 0.000 0.847 376 D CB 2.214 43.150 40.800 0.226 0.000 1.082 376 D HN 0.223 nan 8.370 nan 0.000 0.480 377 P HA -0.222 nan 4.420 nan 0.000 0.215 377 P C 0.876 178.220 177.300 0.074 0.000 1.163 377 P CA 2.029 65.199 63.100 0.117 0.000 0.894 377 P CB 0.150 31.907 31.700 0.097 0.000 0.791 378 A N 0.375 123.226 122.820 0.053 0.000 1.844 378 A HA -0.239 4.082 4.320 0.001 0.000 0.214 378 A C 2.177 179.780 177.584 0.033 0.000 1.217 378 A CA 3.104 55.161 52.037 0.033 0.000 0.644 378 A CB -1.880 17.134 19.000 0.023 0.000 0.850 378 A HN 0.342 nan 8.150 nan 0.000 0.456 379 S N -1.641 114.084 115.700 0.041 0.000 2.776 379 S HA 0.247 4.717 4.470 0.001 0.000 0.242 379 S C 0.144 174.734 174.600 -0.018 0.000 0.977 379 S CA 0.676 58.884 58.200 0.013 0.000 0.985 379 S CB -1.016 62.200 63.200 0.027 0.000 0.782 379 S HN 0.967 nan 8.310 nan 0.000 0.542 380 V N 1.128 121.047 119.914 0.008 0.000 3.048 380 V HA 0.472 4.592 4.120 0.001 0.000 0.303 380 V C -0.769 175.333 176.094 0.015 0.000 1.214 380 V CA -0.777 61.519 62.300 -0.007 0.000 0.984 380 V CB 2.380 34.212 31.823 0.014 0.000 1.054 380 V HN 0.444 nan 8.190 nan 0.000 0.430 381 S N 6.526 122.229 115.700 0.005 0.000 2.505 381 S HA 0.672 5.142 4.470 0.001 0.000 0.276 381 S C -0.300 174.317 174.600 0.029 0.000 1.274 381 S CA -0.581 57.630 58.200 0.018 0.000 1.053 381 S CB 0.432 63.641 63.200 0.015 0.000 0.919 381 S HN 0.629 nan 8.310 nan 0.000 0.490 382 L N 1.957 123.203 121.223 0.038 0.000 2.416 382 L HA 0.634 4.975 4.340 0.001 0.000 0.263 382 L C -2.167 174.728 176.870 0.042 0.000 1.065 382 L CA -2.622 52.243 54.840 0.043 0.000 0.798 382 L CB -0.345 41.750 42.059 0.060 0.000 1.267 382 L HN 0.365 nan 8.230 nan 0.000 0.467 383 P HA 0.305 nan 4.420 nan 0.000 0.289 383 P C -1.073 176.232 177.300 0.008 0.000 1.299 383 P CA -0.532 62.589 63.100 0.035 0.000 0.766 383 P CB 0.595 32.318 31.700 0.037 0.000 1.226 384 L N 0.696 121.914 121.223 -0.009 0.000 2.282 384 L HA 0.400 4.741 4.340 0.001 0.000 0.288 384 L C 0.399 177.204 176.870 -0.109 0.000 1.033 384 L CA -0.633 54.179 54.840 -0.045 0.000 0.807 384 L CB 1.008 43.051 42.059 -0.026 0.000 1.209 384 L HN 0.277 nan 8.230 nan 0.000 0.423 385 R N 2.125 122.510 120.500 -0.193 0.000 2.474 385 R HA 0.580 4.921 4.340 0.001 0.000 0.295 385 R C -0.765 175.345 176.300 -0.316 0.000 0.980 385 R CA -0.527 55.357 56.100 -0.360 0.000 0.934 385 R CB 2.028 31.908 30.300 -0.700 0.000 1.101 385 R HN 0.342 nan 8.270 nan 0.000 0.469 386 V N 3.921 123.646 119.914 -0.315 0.000 2.443 386 V HA 0.777 4.898 4.120 0.001 0.000 0.293 386 V C -1.375 174.573 176.094 -0.244 0.000 1.021 386 V CA -0.522 61.611 62.300 -0.278 0.000 0.848 386 V CB 1.066 32.721 31.823 -0.280 0.000 0.998 386 V HN 0.847 nan 8.190 nan 0.000 0.424 387 R N 3.030 123.453 120.500 -0.130 0.000 2.885 387 R HA 0.794 5.134 4.340 0.001 0.000 0.260 387 R C -0.088 176.268 176.300 0.092 0.000 1.107 387 R CA -0.072 56.078 56.100 0.083 0.000 0.978 387 R CB 0.572 30.932 30.300 0.101 0.000 1.227 387 R HN 0.678 nan 8.270 nan 0.000 0.473 388 T N -1.605 112.967 114.554 0.030 0.000 2.899 388 T HA 0.331 4.682 4.350 0.001 0.000 0.284 388 T C 0.225 174.908 174.700 -0.029 0.000 1.004 388 T CA -0.958 61.062 62.100 -0.133 0.000 1.043 388 T CB 0.599 69.253 68.868 -0.357 0.000 1.013 388 T HN 0.760 nan 8.240 nan 0.000 0.518 389 R N 1.178 121.653 120.500 -0.041 0.000 2.758 389 R HA 0.192 4.532 4.340 0.001 0.000 0.263 389 R C -0.236 176.060 176.300 -0.008 0.000 1.010 389 R CA -0.408 55.687 56.100 -0.008 0.000 1.114 389 R CB 0.214 30.471 30.300 -0.072 0.000 0.985 389 R HN 0.833 nan 8.270 nan 0.000 0.439 390 R N 1.230 121.743 120.500 0.021 0.000 2.533 390 R HA 0.211 4.551 4.340 0.001 0.000 0.288 390 R C 0.612 176.926 176.300 0.023 0.000 1.039 390 R CA -0.573 55.544 56.100 0.028 0.000 0.909 390 R CB 1.184 31.521 30.300 0.063 0.000 1.195 390 R HN 0.893 nan 8.270 nan 0.000 0.438 391 R N 1.854 122.360 120.500 0.010 0.000 2.398 391 R HA -0.282 4.059 4.340 0.001 0.000 0.233 391 R C 0.937 177.246 176.300 0.015 0.000 1.022 391 R CA 2.504 58.608 56.100 0.007 0.000 0.855 391 R CB -0.499 29.806 30.300 0.007 0.000 0.962 391 R HN 0.770 nan 8.270 nan 0.000 0.416 392 G N -0.068 108.747 108.800 0.025 0.000 3.651 392 G HA2 0.050 4.011 3.960 0.001 0.000 0.279 392 G HA3 0.050 4.011 3.960 0.001 0.000 0.279 392 G C -0.618 174.303 174.900 0.035 0.000 1.024 392 G CA -0.410 44.707 45.100 0.027 0.000 0.813 392 G HN 0.139 nan 8.290 nan 0.000 0.518 393 D N 1.550 121.976 120.400 0.043 0.000 2.506 393 D HA 0.187 4.828 4.640 0.001 0.000 0.234 393 D C 0.824 177.149 176.300 0.042 0.000 1.143 393 D CA 0.813 54.843 54.000 0.050 0.000 0.871 393 D CB 0.960 41.797 40.800 0.062 0.000 1.190 393 D HN 0.504 nan 8.370 nan 0.000 0.459 394 R N 0.522 121.045 120.500 0.038 0.000 2.810 394 R HA 0.783 5.123 4.340 0.001 0.000 0.266 394 R C -0.190 176.121 176.300 0.020 0.000 1.061 394 R CA -0.934 55.181 56.100 0.024 0.000 0.943 394 R CB 1.606 31.919 30.300 0.022 0.000 1.237 394 R HN 0.482 nan 8.270 nan 0.000 0.459 395 M N -1.133 118.468 119.600 0.001 0.000 3.767 395 M HA 0.672 5.153 4.480 0.001 0.000 0.327 395 M C -1.417 174.854 176.300 -0.048 0.000 1.529 395 M CA -1.082 54.209 55.300 -0.014 0.000 0.871 395 M CB 1.890 34.479 32.600 -0.018 0.000 2.008 395 M HN 0.463 nan 8.290 nan 0.000 0.485 396 V N -0.086 119.765 119.914 -0.104 0.000 2.925 396 V HA 0.745 4.865 4.120 0.001 0.000 0.311 396 V C -1.261 174.737 176.094 -0.160 0.000 1.104 396 V CA -0.802 61.411 62.300 -0.145 0.000 0.954 396 V CB 1.743 33.433 31.823 -0.223 0.000 1.022 396 V HN 0.845 nan 8.190 nan 0.000 0.427 397 L N 2.364 123.517 121.223 -0.117 0.000 2.307 397 L HA 0.562 4.903 4.340 0.001 0.000 0.284 397 L C 1.530 178.351 176.870 -0.081 0.000 1.023 397 L CA -0.492 54.298 54.840 -0.082 0.000 0.810 397 L CB 1.384 43.408 42.059 -0.058 0.000 1.231 397 L HN 0.828 nan 8.230 nan 0.000 0.423 398 K N 1.862 122.221 120.400 -0.069 0.000 2.137 398 K HA -0.278 4.043 4.320 0.001 0.000 0.216 398 K C 1.247 177.809 176.600 -0.062 0.000 1.052 398 K CA 2.268 58.511 56.287 -0.073 0.000 0.939 398 K CB -0.059 32.394 32.500 -0.078 0.000 0.724 398 K HN 0.992 nan 8.250 nan 0.000 0.465 399 G N -1.585 107.185 108.800 -0.051 0.000 2.766 399 G HA2 0.058 4.018 3.960 0.001 0.000 0.206 399 G HA3 0.058 4.018 3.960 0.001 0.000 0.206 399 G C 0.840 175.720 174.900 -0.033 0.000 2.072 399 G CA 0.459 45.537 45.100 -0.037 0.000 0.798 399 G HN 0.330 nan 8.290 nan 0.000 0.703 400 T N -0.323 114.214 114.554 -0.027 0.000 3.074 400 T HA 0.409 4.759 4.350 0.001 0.000 0.181 400 T C 2.056 176.739 174.700 -0.029 0.000 0.714 400 T CA 1.451 63.537 62.100 -0.023 0.000 2.341 400 T CB -0.950 67.908 68.868 -0.016 0.000 2.346 400 T HN 1.377 nan 8.240 nan 0.000 0.391 401 G N 1.072 109.857 108.800 -0.024 0.000 3.781 401 G HA2 -0.008 3.952 3.960 0.001 0.000 0.224 401 G HA3 -0.008 3.952 3.960 0.001 0.000 0.224 401 G C 0.994 175.879 174.900 -0.026 0.000 1.335 401 G CA 1.243 46.327 45.100 -0.026 0.000 1.052 401 G HN 1.821 nan 8.290 nan 0.000 0.598 402 G N -2.392 106.388 108.800 -0.032 0.000 2.460 402 G HA2 0.372 4.332 3.960 0.001 0.000 0.207 402 G HA3 0.372 4.332 3.960 0.001 0.000 0.207 402 G C -0.151 174.727 174.900 -0.036 0.000 1.170 402 G CA 0.485 45.568 45.100 -0.029 0.000 1.151 402 G HN 1.799 nan 8.290 nan 0.000 0.575 403 T N 1.050 115.590 114.554 -0.023 0.000 2.824 403 T HA 0.680 5.030 4.350 0.001 0.000 0.280 403 T C -0.159 174.531 174.700 -0.017 0.000 0.995 403 T CA -0.177 61.911 62.100 -0.021 0.000 1.009 403 T CB 2.048 70.913 68.868 -0.005 0.000 0.955 403 T HN 0.741 nan 8.240 nan 0.000 0.452 404 K N 1.665 122.054 120.400 -0.019 0.000 2.527 404 K HA 0.366 4.687 4.320 0.001 0.000 0.260 404 K C -1.044 175.550 176.600 -0.011 0.000 0.937 404 K CA -0.840 55.437 56.287 -0.017 0.000 0.826 404 K CB 2.204 34.687 32.500 -0.029 0.000 1.359 404 K HN 0.445 nan 8.250 nan 0.000 0.434 405 K N 2.501 122.900 120.400 -0.002 0.000 2.326 405 K HA 0.054 4.374 4.320 0.001 0.000 0.275 405 K C 1.179 177.788 176.600 0.014 0.000 1.018 405 K CA -0.429 55.865 56.287 0.012 0.000 0.962 405 K CB 0.617 33.127 32.500 0.018 0.000 0.953 405 K HN 0.368 nan 8.250 nan 0.000 0.475 406 L N 3.853 125.100 121.223 0.040 0.000 1.994 406 L HA -0.248 4.093 4.340 0.001 0.000 0.208 406 L C 2.410 179.370 176.870 0.150 0.000 1.071 406 L CA 1.802 56.682 54.840 0.068 0.000 0.745 406 L CB -0.765 41.385 42.059 0.152 0.000 0.892 406 L HN 0.717 nan 8.230 nan 0.000 0.431 407 K N 0.339 120.836 120.400 0.163 0.000 2.097 407 K HA -0.317 4.004 4.320 0.001 0.000 0.214 407 K C 1.940 178.609 176.600 0.114 0.000 1.052 407 K CA 2.416 58.795 56.287 0.154 0.000 0.932 407 K CB -0.584 31.954 32.500 0.062 0.000 0.716 407 K HN 0.457 nan 8.250 nan 0.000 0.455 408 E N 0.172 120.402 120.200 0.051 0.000 2.171 408 E HA -0.150 4.200 4.350 0.001 0.000 0.197 408 E C 2.177 178.776 176.600 -0.003 0.000 0.997 408 E CA 1.362 57.774 56.400 0.019 0.000 0.810 408 E CB -0.008 29.693 29.700 0.001 0.000 0.738 408 E HN 0.425 nan 8.360 nan 0.000 0.467 409 I N -0.305 120.240 120.570 -0.041 0.000 2.162 409 I HA -0.222 3.948 4.170 0.001 0.000 0.238 409 I C 1.886 177.896 176.117 -0.178 0.000 1.076 409 I CA 0.943 62.152 61.300 -0.152 0.000 1.353 409 I CB -0.518 37.305 38.000 -0.296 0.000 1.063 409 I HN 0.142 nan 8.210 nan 0.000 0.408 410 F N 1.446 121.306 119.950 -0.150 0.000 2.147 410 F HA -0.282 4.246 4.527 0.001 0.000 0.301 410 F C 2.385 178.113 175.800 -0.120 0.000 1.084 410 F CA 1.613 59.492 58.000 -0.202 0.000 1.268 410 F CB -0.561 38.315 39.000 -0.207 0.000 1.009 410 F HN 0.060 nan 8.300 nan 0.000 0.486 411 I N -0.796 119.846 120.570 0.120 0.000 2.406 411 I HA -0.157 4.014 4.170 0.001 0.000 0.249 411 I C 2.001 178.158 176.117 0.066 0.000 1.122 411 I CA 1.094 62.456 61.300 0.103 0.000 1.431 411 I CB -0.650 37.395 38.000 0.076 0.000 1.087 411 I HN 0.139 nan 8.210 nan 0.000 0.424 412 E N 1.801 122.009 120.200 0.013 0.000 2.107 412 E HA -0.087 4.264 4.350 0.001 0.000 0.191 412 E C 1.983 178.567 176.600 -0.027 0.000 0.982 412 E CA 1.163 57.560 56.400 -0.006 0.000 0.809 412 E CB -0.124 29.559 29.700 -0.028 0.000 0.756 412 E HN 0.489 nan 8.360 nan 0.000 0.459 413 A N 1.349 124.127 122.820 -0.071 0.000 2.291 413 A HA -0.007 4.314 4.320 0.001 0.000 0.220 413 A C 0.037 177.548 177.584 -0.122 0.000 1.262 413 A CA -0.113 51.859 52.037 -0.108 0.000 0.867 413 A CB -0.550 18.340 19.000 -0.183 0.000 0.888 413 A HN 0.107 nan 8.150 nan 0.000 0.487 414 K N 0.172 120.536 120.400 -0.060 0.000 3.834 414 K HA -0.187 4.134 4.320 0.001 0.000 0.276 414 K C -0.599 175.704 176.600 -0.494 0.000 0.850 414 K CA 0.711 56.919 56.287 -0.132 0.000 0.704 414 K CB -1.484 30.955 32.500 -0.101 0.000 1.644 414 K HN 0.616 nan 8.250 nan 0.000 0.440 415 I N 0.933 121.370 120.570 -0.222 0.000 2.392 415 I HA 0.224 4.395 4.170 0.001 0.000 0.295 415 I C -1.847 174.223 176.117 -0.078 0.000 0.985 415 I CA -2.830 58.339 61.300 -0.217 0.000 1.221 415 I CB 1.162 39.067 38.000 -0.159 0.000 1.366 415 I HN -0.068 nan 8.210 nan 0.000 0.467 416 P HA 0.063 nan 4.420 nan 0.000 0.267 416 P C 0.089 177.429 177.300 0.067 0.000 1.201 416 P CA -0.116 63.045 63.100 0.102 0.000 0.775 416 P CB 0.663 32.402 31.700 0.064 0.000 0.854 417 R N 1.544 122.087 120.500 0.072 0.000 2.064 417 R HA 0.051 4.392 4.340 0.001 0.000 0.228 417 R C 2.269 178.545 176.300 -0.041 0.000 1.144 417 R CA 1.828 57.921 56.100 -0.012 0.000 0.932 417 R CB -1.228 29.064 30.300 -0.014 0.000 0.833 417 R HN 0.500 nan 8.270 nan 0.000 0.429 418 M N 0.850 120.445 119.600 -0.008 0.000 2.252 418 M HA -0.245 4.235 4.480 0.001 0.000 0.257 418 M C 1.621 177.921 176.300 0.001 0.000 1.077 418 M CA 1.472 56.766 55.300 -0.010 0.000 1.066 418 M CB -0.260 32.347 32.600 0.012 0.000 1.380 418 M HN 0.140 nan 8.290 nan 0.000 0.412 419 E N 0.250 120.469 120.200 0.033 0.000 2.015 419 E HA -0.157 4.194 4.350 0.001 0.000 0.191 419 E C 1.957 178.610 176.600 0.088 0.000 0.991 419 E CA 1.083 57.558 56.400 0.125 0.000 0.802 419 E CB -0.409 29.386 29.700 0.159 0.000 0.759 419 E HN 0.548 nan 8.360 nan 0.000 0.447 420 R N 1.201 121.616 120.500 -0.143 0.000 2.119 420 R HA -0.181 4.160 4.340 0.001 0.000 0.246 420 R C 1.731 177.788 176.300 -0.404 0.000 1.146 420 R CA 1.494 57.254 56.100 -0.566 0.000 0.962 420 R CB -0.709 29.156 30.300 -0.725 0.000 0.863 420 R HN 0.250 nan 8.270 nan 0.000 0.442 421 D N 0.624 120.886 120.400 -0.230 0.000 2.077 421 D HA -0.089 4.551 4.640 0.001 0.000 0.196 421 D C 1.917 178.103 176.300 -0.191 0.000 0.986 421 D CA 1.091 54.972 54.000 -0.199 0.000 0.829 421 D CB -0.298 40.411 40.800 -0.151 0.000 0.983 421 D HN 0.175 nan 8.370 nan 0.000 0.453 422 R N -0.597 119.830 120.500 -0.122 0.000 2.339 422 R HA -0.005 4.336 4.340 0.001 0.000 0.199 422 R C 0.717 176.985 176.300 -0.054 0.000 1.018 422 R CA -0.147 55.857 56.100 -0.160 0.000 1.036 422 R CB 0.074 30.343 30.300 -0.052 0.000 0.899 422 R HN 0.258 nan 8.270 nan 0.000 0.473 423 W N 3.332 124.543 121.300 -0.149 0.000 2.216 423 W HA 0.094 4.755 4.660 0.001 0.000 0.326 423 W C -2.343 174.147 176.519 -0.048 0.000 1.319 423 W CA -1.865 55.463 57.345 -0.028 0.000 1.213 423 W CB 0.790 30.320 29.460 0.116 0.000 1.171 423 W HN -0.085 nan 8.180 nan 0.000 0.557 424 P HA 0.313 nan 4.420 nan 0.000 0.290 424 P C -0.927 176.270 177.300 -0.172 0.000 1.276 424 P CA -0.136 62.866 63.100 -0.164 0.000 0.808 424 P CB 1.838 33.269 31.700 -0.448 0.000 0.966 425 I N 2.446 122.948 120.570 -0.114 0.000 2.750 425 I HA 0.375 4.546 4.170 0.001 0.000 0.308 425 I C -0.051 175.914 176.117 -0.253 0.000 1.016 425 I CA -0.949 60.255 61.300 -0.160 0.000 1.098 425 I CB 2.139 40.114 38.000 -0.041 0.000 1.279 425 I HN 0.048 nan 8.210 nan 0.000 0.454 426 V N 4.238 123.981 119.914 -0.284 0.000 2.443 426 V HA 0.379 4.500 4.120 0.001 0.000 0.293 426 V C -0.384 175.618 176.094 -0.154 0.000 1.021 426 V CA -0.541 61.616 62.300 -0.239 0.000 0.848 426 V CB 1.391 33.066 31.823 -0.248 0.000 0.998 426 V HN 0.846 nan 8.190 nan 0.000 0.424 427 E N 3.584 123.700 120.200 -0.141 0.000 2.264 427 E HA 0.643 4.993 4.350 0.001 0.000 0.260 427 E C -1.307 175.251 176.600 -0.070 0.000 0.961 427 E CA -0.963 55.388 56.400 -0.082 0.000 0.834 427 E CB 2.052 31.707 29.700 -0.074 0.000 1.230 427 E HN 0.579 nan 8.360 nan 0.000 0.412 428 D N 0.287 120.677 120.400 -0.018 0.000 2.437 428 D HA 0.224 4.864 4.640 0.001 0.000 0.259 428 D C 0.966 177.264 176.300 -0.003 0.000 1.118 428 D CA -0.220 53.777 54.000 -0.005 0.000 1.017 428 D CB 1.010 41.821 40.800 0.018 0.000 1.120 428 D HN 0.515 nan 8.370 nan 0.000 0.541 429 A N 0.450 123.278 122.820 0.013 0.000 1.940 429 A HA -0.264 4.057 4.320 0.001 0.000 0.221 429 A C 1.475 179.094 177.584 0.058 0.000 1.190 429 A CA 2.062 54.123 52.037 0.040 0.000 0.647 429 A CB -0.803 18.224 19.000 0.045 0.000 0.821 429 A HN 0.612 nan 8.150 nan 0.000 0.457 430 D N -1.400 119.026 120.400 0.044 0.000 2.378 430 D HA 0.234 4.874 4.640 0.001 0.000 0.227 430 D C 1.453 177.791 176.300 0.064 0.000 1.012 430 D CA 1.205 55.235 54.000 0.050 0.000 0.905 430 D CB -0.251 40.567 40.800 0.030 0.000 0.895 430 D HN 0.720 nan 8.370 nan 0.000 0.532 431 G N 0.800 109.638 108.800 0.063 0.000 2.176 431 G HA2 -0.330 3.631 3.960 0.001 0.000 0.253 431 G HA3 -0.330 3.631 3.960 0.001 0.000 0.253 431 G C 0.480 175.420 174.900 0.066 0.000 0.979 431 G CA -0.308 44.835 45.100 0.071 0.000 0.641 431 G HN 0.304 nan 8.290 nan 0.000 0.530 432 R N 0.507 121.051 120.500 0.073 0.000 2.449 432 R HA 0.330 4.671 4.340 0.001 0.000 0.296 432 R C 0.984 177.345 176.300 0.101 0.000 1.047 432 R CA -0.089 56.079 56.100 0.114 0.000 1.018 432 R CB 0.196 30.588 30.300 0.153 0.000 0.962 432 R HN 0.389 nan 8.270 nan 0.000 0.428 433 I N 5.615 126.242 120.570 0.094 0.000 2.441 433 I HA -0.044 4.127 4.170 0.001 0.000 0.287 433 I C 1.230 177.394 176.117 0.079 0.000 1.049 433 I CA 0.070 61.398 61.300 0.047 0.000 1.381 433 I CB 0.845 38.859 38.000 0.022 0.000 1.409 433 I HN 0.591 nan 8.210 nan 0.000 0.523 434 L N 5.361 126.597 121.223 0.022 0.000 2.467 434 L HA 0.229 4.569 4.340 0.001 0.000 0.213 434 L C -0.228 176.624 176.870 -0.029 0.000 1.053 434 L CA 0.320 55.176 54.840 0.027 0.000 0.847 434 L CB 0.290 42.290 42.059 -0.098 0.000 1.075 434 L HN 0.692 nan 8.230 nan 0.000 0.479 435 W N -0.319 120.767 121.300 -0.357 0.000 4.020 435 W HA 0.480 5.141 4.660 0.001 0.000 0.293 435 W C -2.277 174.124 176.519 -0.198 0.000 1.236 435 W CA -1.270 55.874 57.345 -0.335 0.000 1.265 435 W CB 0.750 29.666 29.460 -0.906 0.000 1.248 435 W HN -0.389 nan 8.180 nan 0.000 0.501 436 V N 7.247 126.888 119.914 -0.455 0.000 2.277 436 V HA 0.333 4.453 4.120 0.001 0.000 0.269 436 V C -1.849 173.884 176.094 -0.602 0.000 1.036 436 V CA -1.952 60.019 62.300 -0.549 0.000 0.821 436 V CB 0.756 32.455 31.823 -0.207 0.000 1.052 436 V HN 0.386 nan 8.190 nan 0.000 0.462 437 P HA -0.106 nan 4.420 nan 0.000 0.258 437 P C 1.183 178.639 177.300 0.260 0.000 1.136 437 P CA 1.914 64.629 63.100 -0.642 0.000 0.761 437 P CB 0.119 30.913 31.700 -1.510 0.000 0.724 438 G N 2.216 111.334 108.800 0.529 0.000 2.233 438 G HA2 -0.285 3.676 3.960 0.001 0.000 0.270 438 G HA3 -0.285 3.676 3.960 0.001 0.000 0.270 438 G C 0.472 175.579 174.900 0.344 0.000 1.011 438 G CA 0.526 45.901 45.100 0.459 0.000 0.762 438 G HN 0.540 nan 8.290 nan 0.000 0.511 439 L N -2.848 118.520 121.223 0.242 0.000 2.598 439 L HA 0.512 4.853 4.340 0.001 0.000 0.205 439 L C 0.623 177.495 176.870 0.004 0.000 1.054 439 L CA 0.485 55.357 54.840 0.052 0.000 0.934 439 L CB 0.746 42.745 42.059 -0.098 0.000 1.704 439 L HN 0.098 nan 8.230 nan 0.000 0.491 440 K N 0.299 120.732 120.400 0.055 0.000 2.572 440 K HA 0.387 4.708 4.320 0.001 0.000 0.263 440 K C -1.697 175.031 176.600 0.214 0.000 0.932 440 K CA -0.403 55.923 56.287 0.065 0.000 0.838 440 K CB 2.000 34.479 32.500 -0.034 0.000 1.366 440 K HN -0.205 nan 8.250 nan 0.000 0.425 441 K N 1.283 121.798 120.400 0.193 0.000 2.164 441 K HA 0.432 4.753 4.320 0.001 0.000 0.258 441 K C 0.160 176.867 176.600 0.178 0.000 0.951 441 K CA -0.751 55.721 56.287 0.308 0.000 0.844 441 K CB 1.642 34.211 32.500 0.116 0.000 1.099 441 K HN 0.810 nan 8.250 nan 0.000 0.435 442 S N 1.109 116.967 115.700 0.264 0.000 2.463 442 S HA 0.075 4.545 4.470 0.001 0.000 0.241 442 S C 1.006 175.567 174.600 -0.065 0.000 1.299 442 S CA 0.225 58.456 58.200 0.052 0.000 0.979 442 S CB 0.193 63.434 63.200 0.068 0.000 0.950 442 S HN 0.661 nan 8.310 nan 0.000 0.516 443 A N -1.101 121.537 122.820 -0.303 0.000 2.431 443 A HA 0.498 4.818 4.320 0.001 0.000 0.239 443 A C 0.821 178.319 177.584 -0.143 0.000 1.230 443 A CA -0.512 51.354 52.037 -0.285 0.000 0.928 443 A CB -0.305 18.459 19.000 -0.392 0.000 1.006 443 A HN 0.661 nan 8.150 nan 0.000 0.520 444 F N 0.744 120.780 119.950 0.142 0.000 2.730 444 F HA 0.233 4.760 4.527 0.001 0.000 0.295 444 F C 0.770 176.685 175.800 0.192 0.000 1.143 444 F CA -0.428 57.663 58.000 0.153 0.000 1.367 444 F CB 0.286 39.384 39.000 0.163 0.000 0.970 444 F HN 0.226 nan 8.300 nan 0.000 0.514 445 E N 2.240 122.543 120.200 0.172 0.000 2.351 445 E HA 0.290 4.640 4.350 0.001 0.000 0.266 445 E C 0.118 176.683 176.600 -0.060 0.000 1.031 445 E CA -0.495 55.758 56.400 -0.245 0.000 0.911 445 E CB 0.814 30.062 29.700 -0.753 0.000 0.986 445 E HN 0.296 nan 8.360 nan 0.000 0.446 446 A N 5.598 128.409 122.820 -0.014 0.000 2.526 446 A HA -0.026 4.295 4.320 0.001 0.000 0.267 446 A C 0.377 177.997 177.584 0.060 0.000 1.095 446 A CA -0.059 52.016 52.037 0.062 0.000 0.775 446 A CB -0.101 18.952 19.000 0.088 0.000 1.036 446 A HN 0.732 nan 8.150 nan 0.000 0.510 447 Q N 2.111 121.987 119.800 0.127 0.000 2.500 447 Q HA 0.105 4.446 4.340 0.001 0.000 0.215 447 Q C 0.486 176.657 176.000 0.284 0.000 1.062 447 Q CA -0.332 55.565 55.803 0.155 0.000 0.996 447 Q CB 0.289 29.079 28.738 0.087 0.000 1.239 447 Q HN 0.604 nan 8.270 nan 0.000 0.578 448 N N -0.334 118.443 118.700 0.129 0.000 2.626 448 N HA -0.117 4.623 4.740 0.001 0.000 0.193 448 N C 1.292 176.941 175.510 0.232 0.000 1.213 448 N CA 0.428 53.522 53.050 0.073 0.000 0.914 448 N CB -0.203 38.007 38.487 -0.463 0.000 0.994 448 N HN 0.710 nan 8.380 nan 0.000 0.447 449 R N -0.978 119.656 120.500 0.223 0.000 2.261 449 R HA -0.192 4.148 4.340 0.001 0.000 0.252 449 R C 0.380 176.778 176.300 0.162 0.000 1.116 449 R CA 1.996 58.197 56.100 0.168 0.000 0.942 449 R CB -0.515 29.884 30.300 0.164 0.000 0.932 449 R HN 0.305 nan 8.270 nan 0.000 0.441 450 G N -2.356 106.583 108.800 0.231 0.000 2.755 450 G HA2 0.156 4.116 3.960 0.001 0.000 0.297 450 G HA3 0.156 4.116 3.960 0.001 0.000 0.297 450 G C -1.278 173.712 174.900 0.150 0.000 1.441 450 G CA -0.703 44.489 45.100 0.153 0.000 0.964 450 G HN 0.233 nan 8.290 nan 0.000 0.540 451 Q N 0.978 120.856 119.800 0.130 0.000 2.271 451 Q HA 0.188 4.529 4.340 0.001 0.000 0.206 451 Q C 1.615 177.537 176.000 -0.131 0.000 0.860 451 Q CA 0.275 56.130 55.803 0.087 0.000 0.991 451 Q CB 0.052 28.879 28.738 0.148 0.000 1.232 451 Q HN 0.669 nan 8.270 nan 0.000 0.410 452 A N 1.649 124.309 122.820 -0.267 0.000 3.297 452 A HA 0.007 4.327 4.320 0.001 0.000 0.150 452 A C 0.770 178.102 177.584 -0.420 0.000 0.871 452 A CA 0.665 52.520 52.037 -0.305 0.000 1.148 452 A CB 0.165 19.000 19.000 -0.275 0.000 0.882 452 A HN 0.408 nan 8.150 nan 0.000 0.534 453 R N -2.039 118.176 120.500 -0.475 0.000 2.670 453 R HA 0.561 4.901 4.340 0.001 0.000 0.289 453 R C -2.177 173.894 176.300 -0.382 0.000 0.965 453 R CA -0.421 55.474 56.100 -0.341 0.000 0.899 453 R CB 1.189 31.385 30.300 -0.173 0.000 1.173 453 R HN 0.603 nan 8.270 nan 0.000 0.456 454 Y N 2.368 122.712 120.300 0.074 0.000 2.512 454 Y HA 0.501 5.052 4.550 0.001 0.000 0.348 454 Y C -0.114 175.845 175.900 0.098 0.000 0.990 454 Y CA -0.947 57.176 58.100 0.038 0.000 1.033 454 Y CB 1.802 40.204 38.460 -0.097 0.000 1.259 454 Y HN 0.385 nan 8.280 nan 0.000 0.461 455 I N 3.769 124.481 120.570 0.238 0.000 2.493 455 I HA 0.428 4.598 4.170 0.001 0.000 0.298 455 I C -1.145 174.972 176.117 -0.001 0.000 0.998 455 I CA -0.924 60.402 61.300 0.044 0.000 1.137 455 I CB 1.964 39.976 38.000 0.021 0.000 1.310 455 I HN 0.240 nan 8.210 nan 0.000 0.445 456 L N 6.607 127.791 121.223 -0.065 0.000 2.381 456 L HA 0.551 4.891 4.340 0.001 0.000 0.274 456 L C -1.578 175.285 176.870 -0.012 0.000 0.988 456 L CA -0.628 54.190 54.840 -0.036 0.000 0.824 456 L CB 1.923 43.944 42.059 -0.064 0.000 1.263 456 L HN 0.449 nan 8.230 nan 0.000 0.410 457 L N 5.067 126.310 121.223 0.034 0.000 2.319 457 L HA 0.486 4.827 4.340 0.001 0.000 0.281 457 L C -0.245 176.687 176.870 0.104 0.000 1.005 457 L CA -0.398 54.481 54.840 0.064 0.000 0.828 457 L CB 1.836 43.935 42.059 0.068 0.000 1.227 457 L HN 0.599 nan 8.230 nan 0.000 0.415 458 Q N 3.607 123.511 119.800 0.173 0.000 2.333 458 Q HA 0.327 4.668 4.340 0.001 0.000 0.265 458 Q C -1.149 175.054 176.000 0.339 0.000 0.989 458 Q CA -0.431 55.507 55.803 0.226 0.000 0.842 458 Q CB 2.880 31.692 28.738 0.123 0.000 1.262 458 Q HN 0.530 nan 8.270 nan 0.000 0.451 459 Y N 2.638 123.100 120.300 0.270 0.000 2.326 459 Y HA 0.328 4.879 4.550 0.001 0.000 0.337 459 Y C -0.291 175.623 175.900 0.022 0.000 1.023 459 Y CA -0.177 58.036 58.100 0.188 0.000 1.143 459 Y CB 1.141 39.772 38.460 0.284 0.000 1.183 459 Y HN 0.614 nan 8.280 nan 0.000 0.485 460 Q N 4.703 124.351 119.800 -0.254 0.000 2.590 460 Q HA 0.674 5.015 4.340 0.001 0.000 0.295 460 Q C -1.612 174.072 176.000 -0.527 0.000 0.973 460 Q CA -0.691 54.873 55.803 -0.399 0.000 0.768 460 Q CB 2.099 30.748 28.738 -0.148 0.000 1.479 460 Q HN 0.829 nan 8.270 nan 0.000 0.419 461 A N 0.843 123.348 122.820 -0.524 0.000 2.710 461 A HA 0.723 5.043 4.320 0.001 0.000 0.253 461 A C -0.507 177.024 177.584 -0.088 0.000 1.658 461 A CA -0.275 51.517 52.037 -0.407 0.000 0.851 461 A CB 0.390 19.160 19.000 -0.384 0.000 1.658 461 A HN 0.664 nan 8.150 nan 0.000 0.585 462 M N 0.000 119.605 119.600 0.008 0.000 2.572 462 M HA 0.000 4.481 4.480 0.001 0.000 0.227 462 M CA 0.000 55.314 55.300 0.023 0.000 0.988 462 M CB 0.000 32.634 32.600 0.057 0.000 1.302 462 M HN 0.000 nan 8.290 nan 0.000 0.411