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 1nu1_1_C DATA FIRST_RESID 2 DATA SEQUENCE TNIRKSHPLM KIVNNAFIDL PAPSNISSWW NFGSLLGICL ILQILTGLFL DATA SEQUENCE AMHYTSDTTT AFSSVTHICR DVNYGWIIRY MHANGASMFF ICLYMHVGRG DATA SEQUENCE LYYGSYTFLE TWNIGVILLL TVMATAFMGY VLPWGQMSFW GATVITNLLS DATA SEQUENCE AIPYIGTNLV EWIWGGFSVD KATLTRFFAF HFILPFIIMA IAMVHLLFLH DATA SEQUENCE ETGSNNPTGI SSDVDKIPFH PYYTIKDILG ALLLILALML LVLFAPDLLG DATA SEQUENCE DPDNYTPANP LNTPPHIKPE WYFLFAYAIL RSIPNKLGGV LALAFSILIL DATA SEQUENCE ALIPLLHTSK QRSMMFRPLS QCLFWALVAD LLTLTWIGGQ PVEHPYITIG DATA SEQUENCE QLASVLYFLL ILVLMPTAGT IENKLLKW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 T HA 0.000 nan 4.350 nan 0.000 0.228 2 T C 0.000 174.700 174.700 -0.000 0.000 1.109 2 T CA 0.000 62.099 62.100 -0.001 0.000 1.349 2 T CB 0.000 68.867 68.868 -0.002 0.000 0.612 3 N N 1.312 120.011 118.700 -0.002 0.000 1.005 3 N HA -0.183 4.557 4.740 -0.000 0.000 0.148 3 N C 1.021 176.530 175.510 -0.002 0.000 0.384 3 N CA 2.779 55.828 53.050 -0.003 0.000 0.825 3 N CB -0.424 38.062 38.487 -0.003 0.000 1.603 3 N HN 0.820 nan 8.380 nan 0.000 0.721 4 I N -3.604 116.965 120.570 -0.001 0.000 4.643 4 I HA 0.049 4.219 4.170 -0.000 0.000 0.299 4 I C 1.849 177.973 176.117 0.012 0.000 1.128 4 I CA -0.119 61.181 61.300 0.000 0.000 1.368 4 I CB -0.670 37.313 38.000 -0.028 0.000 1.763 4 I HN 0.397 nan 8.210 nan 0.000 0.472 5 R N 2.460 122.958 120.500 -0.002 0.000 2.148 5 R HA -0.009 4.331 4.340 -0.000 0.000 0.227 5 R C 1.700 178.011 176.300 0.019 0.000 1.103 5 R CA 1.326 57.428 56.100 0.003 0.000 0.983 5 R CB 0.199 30.491 30.300 -0.014 0.000 0.874 5 R HN 0.371 nan 8.270 nan 0.000 0.451 6 K N -0.804 119.604 120.400 0.013 0.000 2.379 6 K HA 0.043 4.363 4.320 -0.000 0.000 0.194 6 K C 1.401 178.007 176.600 0.010 0.000 1.031 6 K CA 0.928 57.219 56.287 0.005 0.000 1.037 6 K CB 0.703 33.201 32.500 -0.003 0.000 0.824 6 K HN 0.195 nan 8.250 nan 0.000 0.516 7 S N -1.289 114.430 115.700 0.032 0.000 2.593 7 S HA -0.006 4.463 4.470 -0.000 0.000 0.235 7 S C 0.385 175.014 174.600 0.049 0.000 1.059 7 S CA -0.359 57.858 58.200 0.027 0.000 0.953 7 S CB -0.310 62.903 63.200 0.021 0.000 0.897 7 S HN 0.307 nan 8.310 nan 0.000 0.507 8 H N 4.838 123.897 119.070 -0.018 0.000 3.026 8 H HA 0.294 4.850 4.556 -0.000 0.000 0.289 8 H C -1.907 173.411 175.328 -0.017 0.000 1.022 8 H CA -1.033 55.006 56.048 -0.016 0.000 1.477 8 H CB 0.662 30.416 29.762 -0.013 0.000 1.510 8 H HN -0.050 nan 8.280 nan 0.000 0.535 9 P HA -0.288 nan 4.420 nan 0.000 0.220 9 P C 1.386 178.569 177.300 -0.195 0.000 1.155 9 P CA 1.473 64.416 63.100 -0.262 0.000 0.880 9 P CB 0.222 31.745 31.700 -0.296 0.000 0.790 10 L N -2.541 118.528 121.223 -0.258 0.000 2.049 10 L HA -0.071 4.269 4.340 -0.000 0.000 0.203 10 L C 2.552 179.485 176.870 0.105 0.000 1.074 10 L CA 1.349 56.185 54.840 -0.007 0.000 0.749 10 L CB -0.620 41.508 42.059 0.115 0.000 0.907 10 L HN -0.024 nan 8.230 nan 0.000 0.439 11 M N -0.290 119.486 119.600 0.293 0.000 2.082 11 M HA -0.297 4.183 4.480 -0.000 0.000 0.258 11 M C 2.213 178.559 176.300 0.076 0.000 1.069 11 M CA 1.900 57.310 55.300 0.184 0.000 1.102 11 M CB -0.476 32.224 32.600 0.167 0.000 1.336 11 M HN 0.133 nan 8.290 nan 0.000 0.404 12 K N 0.413 120.841 120.400 0.047 0.000 2.015 12 K HA -0.230 4.089 4.320 -0.000 0.000 0.220 12 K C 1.832 178.405 176.600 -0.045 0.000 1.055 12 K CA 1.752 58.032 56.287 -0.012 0.000 0.951 12 K CB -0.529 31.951 32.500 -0.034 0.000 0.725 12 K HN 0.260 nan 8.250 nan 0.000 0.449 13 I N 0.950 121.494 120.570 -0.043 0.000 2.091 13 I HA -0.318 3.852 4.170 -0.000 0.000 0.240 13 I C 2.450 178.513 176.117 -0.089 0.000 1.046 13 I CA 1.640 62.897 61.300 -0.071 0.000 1.306 13 I CB -1.175 36.807 38.000 -0.030 0.000 1.018 13 I HN 0.029 nan 8.210 nan 0.000 0.404 14 V N 1.325 121.247 119.914 0.014 0.000 2.343 14 V HA -0.302 3.818 4.120 -0.000 0.000 0.247 14 V C 2.329 178.433 176.094 0.016 0.000 1.051 14 V CA 2.384 64.749 62.300 0.109 0.000 1.036 14 V CB -1.003 30.926 31.823 0.178 0.000 0.654 14 V HN 0.507 nan 8.190 nan 0.000 0.451 15 N N 0.877 119.566 118.700 -0.017 0.000 2.120 15 N HA -0.162 4.578 4.740 -0.000 0.000 0.188 15 N C 1.355 176.790 175.510 -0.125 0.000 1.024 15 N CA 1.607 54.635 53.050 -0.036 0.000 0.852 15 N CB -0.224 38.252 38.487 -0.018 0.000 1.003 15 N HN 0.436 nan 8.380 nan 0.000 0.424 16 N N -0.436 118.148 118.700 -0.193 0.000 2.449 16 N HA 0.095 4.835 4.740 -0.000 0.000 0.191 16 N C 0.167 175.362 175.510 -0.525 0.000 1.161 16 N CA 0.632 53.520 53.050 -0.270 0.000 0.863 16 N CB 0.480 38.833 38.487 -0.223 0.000 0.980 16 N HN 0.429 nan 8.380 nan 0.000 0.458 17 A N -1.006 121.391 122.820 -0.705 0.000 2.141 17 A HA 0.331 4.651 4.320 -0.000 0.000 0.201 17 A C 0.458 177.182 177.584 -1.433 0.000 1.344 17 A CA 0.012 51.277 52.037 -1.287 0.000 0.971 17 A CB 0.355 18.442 19.000 -1.520 0.000 1.035 17 A HN 0.154 nan 8.150 nan 0.000 0.480 18 F N -1.219 118.591 119.950 -0.233 0.000 2.960 18 F HA 0.365 4.892 4.527 -0.000 0.000 0.345 18 F C 0.993 176.824 175.800 0.051 0.000 1.147 18 F CA -0.426 57.372 58.000 -0.336 0.000 1.099 18 F CB 0.557 39.396 39.000 -0.268 0.000 1.219 18 F HN 0.030 nan 8.300 nan 0.000 0.525 19 I N -0.739 119.923 120.570 0.152 0.000 3.673 19 I HA 0.189 4.359 4.170 -0.000 0.000 0.281 19 I C 0.995 177.232 176.117 0.199 0.000 1.182 19 I CA 0.586 62.019 61.300 0.221 0.000 1.391 19 I CB -0.483 37.569 38.000 0.087 0.000 1.383 19 I HN -0.083 nan 8.210 nan 0.000 0.456 20 D N 1.067 121.520 120.400 0.089 0.000 2.463 20 D HA 0.141 4.781 4.640 -0.000 0.000 0.237 20 D C 1.078 177.421 176.300 0.072 0.000 1.013 20 D CA -0.099 53.946 54.000 0.074 0.000 0.910 20 D CB 0.269 41.083 40.800 0.024 0.000 1.080 20 D HN 0.093 nan 8.370 nan 0.000 0.498 21 L N 2.739 123.967 121.223 0.007 0.000 2.837 21 L HA -0.024 4.316 4.340 -0.000 0.000 0.300 21 L C -2.556 174.394 176.870 0.134 0.000 1.211 21 L CA -0.247 54.595 54.840 0.003 0.000 0.890 21 L CB -0.108 41.883 42.059 -0.113 0.000 1.200 21 L HN -0.187 nan 8.230 nan 0.000 0.492 22 P HA 0.450 nan 4.420 nan 0.000 0.275 22 P C -1.164 176.246 177.300 0.183 0.000 1.227 22 P CA -0.154 63.028 63.100 0.137 0.000 0.781 22 P CB 1.426 33.175 31.700 0.081 0.000 0.906 23 A N 4.123 127.077 122.820 0.223 0.000 2.539 23 A HA 0.721 5.041 4.320 -0.000 0.000 0.296 23 A C -2.892 174.800 177.584 0.180 0.000 1.073 23 A CA -2.131 50.051 52.037 0.241 0.000 0.700 23 A CB 0.796 20.066 19.000 0.450 0.000 1.296 23 A HN 0.271 nan 8.150 nan 0.000 0.405 24 P HA 0.044 nan 4.420 nan 0.000 0.264 24 P C 0.906 178.239 177.300 0.055 0.000 1.193 24 P CA 0.494 63.585 63.100 -0.015 0.000 0.763 24 P CB 0.779 32.371 31.700 -0.180 0.000 0.810 25 S N 1.351 117.053 115.700 0.005 0.000 2.603 25 S HA -0.093 4.377 4.470 -0.000 0.000 0.229 25 S C 1.402 175.978 174.600 -0.041 0.000 0.972 25 S CA 0.539 58.712 58.200 -0.045 0.000 0.935 25 S CB -0.865 62.271 63.200 -0.107 0.000 0.769 25 S HN 0.479 nan 8.310 nan 0.000 0.536 26 N N 1.261 119.922 118.700 -0.065 0.000 2.305 26 N HA 0.095 4.835 4.740 -0.000 0.000 0.179 26 N C 0.550 175.921 175.510 -0.232 0.000 1.019 26 N CA 0.377 53.351 53.050 -0.127 0.000 0.869 26 N CB -0.089 38.312 38.487 -0.144 0.000 1.000 26 N HN 0.573 nan 8.380 nan 0.000 0.431 27 I N 1.449 121.752 120.570 -0.444 0.000 2.932 27 I HA -0.041 4.129 4.170 -0.000 0.000 0.295 27 I C 0.758 176.669 176.117 -0.344 0.000 1.227 27 I CA -0.289 60.527 61.300 -0.808 0.000 1.429 27 I CB 0.512 37.697 38.000 -1.359 0.000 1.339 27 I HN 0.002 nan 8.210 nan 0.000 0.589 28 S N 2.659 118.294 115.700 -0.108 0.000 2.768 28 S HA 0.389 4.859 4.470 -0.000 0.000 0.300 28 S C 0.975 175.724 174.600 0.247 0.000 1.122 28 S CA -0.204 58.083 58.200 0.144 0.000 0.995 28 S CB 1.269 64.621 63.200 0.253 0.000 1.195 28 S HN 0.695 nan 8.310 nan 0.000 0.547 29 S N -0.185 115.567 115.700 0.087 0.000 2.407 29 S HA -0.127 4.343 4.470 -0.000 0.000 0.235 29 S C 0.817 175.291 174.600 -0.210 0.000 1.036 29 S CA 1.598 59.722 58.200 -0.127 0.000 1.013 29 S CB -0.658 62.374 63.200 -0.281 0.000 0.820 29 S HN 0.740 nan 8.310 nan 0.000 0.476 30 W N 0.137 121.497 121.300 0.099 0.000 3.109 30 W HA 0.084 4.744 4.660 -0.000 0.000 0.242 30 W C 0.681 177.107 176.519 -0.156 0.000 1.318 30 W CA -0.510 56.849 57.345 0.025 0.000 1.491 30 W CB -0.268 29.189 29.460 -0.004 0.000 1.120 30 W HN 0.353 nan 8.180 nan 0.000 0.715 31 W N 0.326 121.620 121.300 -0.009 0.000 2.570 31 W HA 0.183 4.843 4.660 -0.000 0.000 0.410 31 W C 0.980 177.455 176.519 -0.073 0.000 0.889 31 W CA -0.273 57.061 57.345 -0.018 0.000 2.386 31 W CB -0.386 29.011 29.460 -0.105 0.000 1.228 31 W HN -0.037 nan 8.180 nan 0.000 0.692 32 N N -0.170 118.463 118.700 -0.112 0.000 2.545 32 N HA -0.029 4.711 4.740 -0.000 0.000 0.190 32 N C 1.284 176.711 175.510 -0.138 0.000 1.043 32 N CA 0.554 53.490 53.050 -0.190 0.000 0.879 32 N CB -0.302 37.945 38.487 -0.400 0.000 1.210 32 N HN -0.011 nan 8.380 nan 0.000 0.437 33 F N 1.594 121.618 119.950 0.123 0.000 2.481 33 F HA -0.007 4.520 4.527 -0.000 0.000 0.297 33 F C 2.271 178.115 175.800 0.073 0.000 1.095 33 F CA 0.620 58.686 58.000 0.110 0.000 1.465 33 F CB -1.010 38.104 39.000 0.190 0.000 1.098 33 F HN 0.037 nan 8.300 nan 0.000 0.585 34 G N -0.107 108.881 108.800 0.313 0.000 2.404 34 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.214 34 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.214 34 G C 1.813 176.753 174.900 0.066 0.000 1.189 34 G CA 0.866 46.108 45.100 0.237 0.000 0.789 34 G HN 0.445 nan 8.290 nan 0.000 0.533 35 S N 0.229 115.987 115.700 0.097 0.000 2.436 35 S HA 0.137 4.607 4.470 -0.000 0.000 0.228 35 S C 2.325 176.911 174.600 -0.024 0.000 1.014 35 S CA 0.503 58.736 58.200 0.054 0.000 0.950 35 S CB -0.234 63.032 63.200 0.110 0.000 0.784 35 S HN 0.246 nan 8.310 nan 0.000 0.504 36 L N 0.485 121.692 121.223 -0.026 0.000 2.156 36 L HA 0.069 4.409 4.340 -0.000 0.000 0.208 36 L C 2.483 179.246 176.870 -0.179 0.000 1.095 36 L CA 0.764 55.569 54.840 -0.057 0.000 0.770 36 L CB -0.542 41.530 42.059 0.021 0.000 0.914 36 L HN 0.314 nan 8.230 nan 0.000 0.439 37 L N -0.443 120.633 121.223 -0.244 0.000 2.046 37 L HA -0.135 4.205 4.340 -0.000 0.000 0.208 37 L C 2.680 179.247 176.870 -0.506 0.000 1.077 37 L CA 1.472 55.995 54.840 -0.529 0.000 0.747 37 L CB -1.062 40.700 42.059 -0.495 0.000 0.896 37 L HN 0.288 nan 8.230 nan 0.000 0.432 38 G N 0.280 108.928 108.800 -0.253 0.000 2.446 38 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 38 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 38 G C 1.540 176.347 174.900 -0.155 0.000 1.168 38 G CA 0.700 45.704 45.100 -0.159 0.000 0.771 38 G HN 0.212 nan 8.290 nan 0.000 0.551 39 I N 0.783 121.266 120.570 -0.145 0.000 2.163 39 I HA -0.211 3.959 4.170 -0.000 0.000 0.243 39 I C 2.919 178.956 176.117 -0.133 0.000 1.085 39 I CA 1.042 62.278 61.300 -0.106 0.000 1.347 39 I CB -1.118 36.835 38.000 -0.078 0.000 1.044 39 I HN 0.189 nan 8.210 nan 0.000 0.408 40 C N 0.554 119.699 119.300 -0.258 0.000 2.413 40 C HA -0.167 4.293 4.460 -0.000 0.000 0.277 40 C C 2.813 177.715 174.990 -0.147 0.000 1.265 40 C CA 0.424 59.266 59.018 -0.294 0.000 1.752 40 C CB -1.172 26.156 27.740 -0.686 0.000 1.998 40 C HN 0.496 nan 8.230 nan 0.000 0.489 41 L N 1.882 122.984 121.223 -0.203 0.000 2.056 41 L HA -0.045 4.295 4.340 -0.000 0.000 0.207 41 L C 2.187 179.097 176.870 0.067 0.000 1.078 41 L CA 2.019 56.928 54.840 0.115 0.000 0.749 41 L CB -0.772 41.325 42.059 0.064 0.000 0.901 41 L HN 0.546 nan 8.230 nan 0.000 0.433 42 I N -3.596 116.983 120.570 0.015 0.000 2.716 42 I HA -0.073 4.097 4.170 -0.000 0.000 0.259 42 I C 2.266 178.408 176.117 0.042 0.000 1.172 42 I CA 1.126 62.448 61.300 0.036 0.000 1.478 42 I CB -0.469 37.548 38.000 0.029 0.000 1.104 42 I HN 0.242 nan 8.210 nan 0.000 0.439 43 L N 0.563 121.801 121.223 0.025 0.000 2.093 43 L HA -0.118 4.222 4.340 -0.000 0.000 0.208 43 L C 2.555 179.466 176.870 0.070 0.000 1.085 43 L CA 1.397 56.257 54.840 0.034 0.000 0.755 43 L CB -0.450 41.618 42.059 0.015 0.000 0.904 43 L HN 0.219 nan 8.230 nan 0.000 0.435 44 Q N 0.044 119.884 119.800 0.067 0.000 2.084 44 Q HA -0.176 4.164 4.340 -0.000 0.000 0.202 44 Q C 2.303 178.365 176.000 0.104 0.000 0.978 44 Q CA 2.001 57.831 55.803 0.045 0.000 0.844 44 Q CB -0.389 28.352 28.738 0.005 0.000 0.898 44 Q HN 0.610 nan 8.270 nan 0.000 0.426 45 I N -0.007 120.593 120.570 0.051 0.000 2.226 45 I HA -0.280 3.890 4.170 -0.000 0.000 0.245 45 I C 2.100 178.283 176.117 0.111 0.000 1.100 45 I CA 0.585 61.904 61.300 0.031 0.000 1.374 45 I CB -0.043 37.989 38.000 0.054 0.000 1.057 45 I HN 0.125 nan 8.210 nan 0.000 0.413 46 L N -0.234 121.069 121.223 0.133 0.000 1.937 46 L HA -0.257 4.083 4.340 -0.000 0.000 0.213 46 L C 2.820 179.830 176.870 0.233 0.000 1.077 46 L CA 2.541 57.487 54.840 0.177 0.000 0.758 46 L CB -0.835 41.273 42.059 0.082 0.000 0.888 46 L HN 0.440 nan 8.230 nan 0.000 0.433 47 T N -3.079 111.565 114.554 0.149 0.000 2.665 47 T HA -0.196 4.154 4.350 -0.000 0.000 0.268 47 T C 1.967 176.772 174.700 0.176 0.000 1.035 47 T CA 1.206 63.401 62.100 0.159 0.000 1.151 47 T CB -1.653 67.333 68.868 0.196 0.000 0.862 47 T HN 0.435 nan 8.240 nan 0.000 0.438 48 G N 1.702 110.650 108.800 0.247 0.000 2.556 48 G HA2 -0.225 3.734 3.960 -0.000 0.000 0.220 48 G HA3 -0.225 3.734 3.960 -0.000 0.000 0.220 48 G C 1.490 176.360 174.900 -0.049 0.000 1.156 48 G CA 1.253 46.345 45.100 -0.013 0.000 0.766 48 G HN 0.503 nan 8.290 nan 0.000 0.583 49 L N -0.738 120.525 121.223 0.066 0.000 2.056 49 L HA 0.171 4.511 4.340 -0.000 0.000 0.207 49 L C 2.571 179.511 176.870 0.117 0.000 1.078 49 L CA 1.430 56.311 54.840 0.069 0.000 0.749 49 L CB -0.457 41.681 42.059 0.133 0.000 0.901 49 L HN 0.199 nan 8.230 nan 0.000 0.433 50 F N -1.495 118.484 119.950 0.048 0.000 2.146 50 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 50 F C 2.163 178.058 175.800 0.159 0.000 1.096 50 F CA 0.820 58.879 58.000 0.097 0.000 1.275 50 F CB -0.660 38.381 39.000 0.068 0.000 1.008 50 F HN 0.013 nan 8.300 nan 0.000 0.480 51 L N -0.079 121.275 121.223 0.219 0.000 2.083 51 L HA -0.142 4.198 4.340 -0.000 0.000 0.209 51 L C 2.506 179.499 176.870 0.204 0.000 1.083 51 L CA 1.733 56.653 54.840 0.133 0.000 0.752 51 L CB -1.788 40.211 42.059 -0.101 0.000 0.899 51 L HN 0.122 nan 8.230 nan 0.000 0.433 52 A N -1.039 121.895 122.820 0.191 0.000 2.121 52 A HA -0.134 4.186 4.320 -0.000 0.000 0.218 52 A C 1.973 179.714 177.584 0.260 0.000 1.154 52 A CA 1.073 53.310 52.037 0.333 0.000 0.679 52 A CB -0.528 18.737 19.000 0.442 0.000 0.795 52 A HN 0.481 nan 8.150 nan 0.000 0.458 53 M N -1.097 118.564 119.600 0.102 0.000 2.633 53 M HA 0.164 4.643 4.480 -0.000 0.000 0.226 53 M C 0.919 177.001 176.300 -0.364 0.000 1.137 53 M CA 0.574 55.796 55.300 -0.129 0.000 1.020 53 M CB -0.134 32.298 32.600 -0.279 0.000 1.675 53 M HN 0.391 nan 8.290 nan 0.000 0.500 54 H N -2.128 117.018 119.070 0.127 0.000 2.998 54 H HA 0.165 4.721 4.556 -0.000 0.000 0.223 54 H C 0.141 175.546 175.328 0.128 0.000 0.906 54 H CA -0.286 55.847 56.048 0.143 0.000 1.014 54 H CB 0.173 30.033 29.762 0.162 0.000 1.389 54 H HN 0.318 nan 8.280 nan 0.000 0.467 55 Y N 3.870 124.230 120.300 0.101 0.000 2.546 55 Y HA 0.076 4.625 4.550 -0.000 0.000 0.351 55 Y C 0.457 176.261 175.900 -0.159 0.000 1.266 55 Y CA 0.755 58.819 58.100 -0.059 0.000 1.487 55 Y CB 0.655 39.022 38.460 -0.155 0.000 1.365 55 Y HN 0.053 nan 8.280 nan 0.000 0.642 56 T N 0.208 114.073 114.554 -1.149 0.000 2.900 56 T HA 0.243 4.593 4.350 -0.000 0.000 0.295 56 T C 0.073 173.994 174.700 -1.298 0.000 1.044 56 T CA -0.543 61.033 62.100 -0.874 0.000 0.995 56 T CB 1.532 70.066 68.868 -0.555 0.000 1.072 56 T HN 0.561 nan 8.240 nan 0.000 0.473 57 S N -0.018 115.248 115.700 -0.723 0.000 2.593 57 S HA 0.153 4.623 4.470 -0.000 0.000 0.217 57 S C -0.045 174.308 174.600 -0.412 0.000 0.966 57 S CA -0.016 57.866 58.200 -0.529 0.000 0.914 57 S CB -0.443 62.647 63.200 -0.183 0.000 0.776 57 S HN 0.730 nan 8.310 nan 0.000 0.523 58 D N -0.110 120.034 120.400 -0.427 0.000 2.252 58 D HA 0.334 4.974 4.640 -0.000 0.000 0.245 58 D C 1.417 177.464 176.300 -0.422 0.000 1.009 58 D CA 0.049 53.822 54.000 -0.379 0.000 0.870 58 D CB 2.003 42.644 40.800 -0.265 0.000 1.251 58 D HN 0.121 nan 8.370 nan 0.000 0.460 59 T N -0.837 113.404 114.554 -0.521 0.000 2.721 59 T HA -0.233 4.117 4.350 -0.000 0.000 0.268 59 T C 1.542 176.141 174.700 -0.169 0.000 1.038 59 T CA 1.971 63.740 62.100 -0.550 0.000 1.145 59 T CB -0.606 68.034 68.868 -0.381 0.000 0.858 59 T HN 0.389 nan 8.240 nan 0.000 0.459 60 T N 1.634 116.101 114.554 -0.145 0.000 2.915 60 T HA -0.022 4.328 4.350 -0.000 0.000 0.269 60 T C 1.969 176.625 174.700 -0.074 0.000 1.071 60 T CA 1.694 63.745 62.100 -0.080 0.000 1.132 60 T CB -0.470 68.344 68.868 -0.089 0.000 0.878 60 T HN 0.839 nan 8.240 nan 0.000 0.479 61 T N -1.644 112.835 114.554 -0.124 0.000 3.016 61 T HA 0.616 4.966 4.350 -0.000 0.000 0.271 61 T C 2.087 176.717 174.700 -0.118 0.000 0.968 61 T CA 0.339 62.374 62.100 -0.107 0.000 0.891 61 T CB -0.065 68.710 68.868 -0.155 0.000 1.149 61 T HN 0.221 nan 8.240 nan 0.000 0.524 62 A N 2.163 124.879 122.820 -0.174 0.000 1.863 62 A HA -0.122 4.198 4.320 -0.000 0.000 0.218 62 A C 1.824 179.456 177.584 0.080 0.000 1.233 62 A CA 2.029 53.968 52.037 -0.163 0.000 0.655 62 A CB -1.456 17.441 19.000 -0.172 0.000 0.839 62 A HN 0.499 nan 8.150 nan 0.000 0.454 63 F N 0.384 120.368 119.950 0.058 0.000 2.091 63 F HA -0.193 4.334 4.527 -0.000 0.000 0.299 63 F C 2.837 178.661 175.800 0.039 0.000 1.103 63 F CA 2.016 60.062 58.000 0.077 0.000 1.228 63 F CB -0.154 38.897 39.000 0.084 0.000 0.984 63 F HN 0.251 nan 8.300 nan 0.000 0.477 64 S N -0.626 115.274 115.700 0.334 0.000 2.402 64 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 64 S C 2.202 176.890 174.600 0.147 0.000 1.021 64 S CA 1.293 59.632 58.200 0.232 0.000 0.974 64 S CB -0.563 62.712 63.200 0.125 0.000 0.800 64 S HN 0.625 nan 8.310 nan 0.000 0.484 65 S N 0.940 116.687 115.700 0.078 0.000 2.345 65 S HA -0.055 4.415 4.470 -0.000 0.000 0.220 65 S C 1.842 176.537 174.600 0.158 0.000 1.031 65 S CA 1.305 59.564 58.200 0.099 0.000 0.996 65 S CB -1.012 62.164 63.200 -0.040 0.000 0.882 65 S HN 0.336 nan 8.310 nan 0.000 0.445 66 V N 2.943 122.925 119.914 0.115 0.000 2.380 66 V HA -0.218 3.902 4.120 -0.000 0.000 0.251 66 V C 2.844 178.936 176.094 -0.004 0.000 1.063 66 V CA 2.282 64.612 62.300 0.050 0.000 1.055 66 V CB -1.826 29.971 31.823 -0.043 0.000 0.657 66 V HN 0.682 nan 8.190 nan 0.000 0.455 67 T N -0.931 113.641 114.554 0.030 0.000 2.701 67 T HA -0.234 4.116 4.350 -0.000 0.000 0.263 67 T C 1.837 176.581 174.700 0.074 0.000 1.040 67 T CA 1.610 63.746 62.100 0.060 0.000 1.147 67 T CB -0.610 68.359 68.868 0.167 0.000 0.865 67 T HN 0.675 nan 8.240 nan 0.000 0.426 68 H N 1.916 121.009 119.070 0.039 0.000 2.325 68 H HA -0.139 4.417 4.556 -0.000 0.000 0.293 68 H C 2.122 177.455 175.328 0.008 0.000 1.106 68 H CA 1.869 57.936 56.048 0.031 0.000 1.247 68 H CB -0.502 29.282 29.762 0.037 0.000 1.359 68 H HN 0.350 nan 8.280 nan 0.000 0.488 69 I N 0.894 121.355 120.570 -0.182 0.000 2.068 69 I HA -0.406 3.764 4.170 -0.000 0.000 0.238 69 I C 3.041 179.029 176.117 -0.214 0.000 1.046 69 I CA 1.929 63.070 61.300 -0.266 0.000 1.306 69 I CB -0.602 37.336 38.000 -0.103 0.000 1.023 69 I HN 0.474 nan 8.210 nan 0.000 0.399 70 C N -0.066 119.173 119.300 -0.102 0.000 2.481 70 C HA 0.103 4.563 4.460 -0.000 0.000 0.275 70 C C 2.554 177.556 174.990 0.020 0.000 1.419 70 C CA -0.253 58.765 59.018 -0.001 0.000 1.773 70 C CB -1.274 26.443 27.740 -0.038 0.000 1.862 70 C HN 0.408 nan 8.230 nan 0.000 0.530 71 R N 1.276 121.754 120.500 -0.037 0.000 2.105 71 R HA 0.070 4.410 4.340 -0.000 0.000 0.214 71 R C 1.088 177.362 176.300 -0.043 0.000 1.091 71 R CA 1.093 57.180 56.100 -0.023 0.000 1.007 71 R CB -0.176 30.130 30.300 0.011 0.000 0.912 71 R HN 0.565 nan 8.270 nan 0.000 0.450 72 D N 0.424 120.747 120.400 -0.128 0.000 2.943 72 D HA 0.028 4.668 4.640 -0.000 0.000 0.282 72 D C 0.516 176.710 176.300 -0.177 0.000 1.148 72 D CA 0.232 54.153 54.000 -0.131 0.000 1.006 72 D CB -0.162 40.593 40.800 -0.076 0.000 1.168 72 D HN -0.207 nan 8.370 nan 0.000 0.450 73 V N 3.782 123.465 119.914 -0.386 0.000 2.613 73 V HA -0.144 3.976 4.120 -0.000 0.000 0.289 73 V C 0.039 176.046 176.094 -0.144 0.000 0.985 73 V CA 0.219 62.334 62.300 -0.310 0.000 1.181 73 V CB -1.662 29.795 31.823 -0.610 0.000 0.883 73 V HN 0.147 nan 8.190 nan 0.000 0.465 74 N N 5.827 124.513 118.700 -0.024 0.000 2.301 74 N HA 0.033 4.772 4.740 -0.000 0.000 0.267 74 N C 0.216 175.799 175.510 0.121 0.000 1.304 74 N CA 0.038 53.118 53.050 0.051 0.000 0.851 74 N CB -0.243 38.366 38.487 0.204 0.000 1.070 74 N HN 0.756 nan 8.380 nan 0.000 0.483 75 Y N -1.071 119.144 120.300 -0.141 0.000 4.929 75 Y HA -0.275 4.275 4.550 -0.000 0.000 0.253 75 Y C 1.961 177.591 175.900 -0.450 0.000 0.946 75 Y CA 0.670 58.514 58.100 -0.427 0.000 1.905 75 Y CB -1.833 36.410 38.460 -0.362 0.000 1.400 75 Y HN 0.786 nan 8.280 nan 0.000 0.531 76 G N 0.716 109.422 108.800 -0.157 0.000 2.532 76 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.222 76 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.222 76 G C 1.309 176.112 174.900 -0.162 0.000 1.102 76 G CA 1.187 46.179 45.100 -0.180 0.000 0.742 76 G HN 0.772 nan 8.290 nan 0.000 0.577 77 W N 1.756 122.918 121.300 -0.229 0.000 2.423 77 W HA -0.035 4.625 4.660 -0.000 0.000 0.321 77 W C 2.291 178.629 176.519 -0.302 0.000 1.180 77 W CA 1.058 58.163 57.345 -0.401 0.000 1.322 77 W CB -1.514 27.723 29.460 -0.372 0.000 1.174 77 W HN 0.309 nan 8.180 nan 0.000 0.470 78 I N 0.806 120.930 120.570 -0.744 0.000 2.181 78 I HA -0.379 3.791 4.170 -0.000 0.000 0.247 78 I C 2.672 178.688 176.117 -0.168 0.000 1.081 78 I CA 2.198 63.254 61.300 -0.406 0.000 1.340 78 I CB -1.269 36.384 38.000 -0.579 0.000 1.036 78 I HN -0.060 nan 8.210 nan 0.000 0.417 79 I N 0.317 120.756 120.570 -0.217 0.000 2.099 79 I HA -0.274 3.896 4.170 -0.000 0.000 0.239 79 I C 2.933 179.041 176.117 -0.015 0.000 1.066 79 I CA 1.562 62.802 61.300 -0.100 0.000 1.324 79 I CB -0.710 37.233 38.000 -0.095 0.000 1.037 79 I HN 0.313 nan 8.210 nan 0.000 0.401 80 R N 0.790 121.239 120.500 -0.084 0.000 2.083 80 R HA -0.202 4.138 4.340 -0.000 0.000 0.237 80 R C 2.318 178.701 176.300 0.138 0.000 1.137 80 R CA 1.945 58.023 56.100 -0.037 0.000 0.951 80 R CB -0.718 29.484 30.300 -0.163 0.000 0.851 80 R HN 0.330 nan 8.270 nan 0.000 0.434 81 Y N -0.006 120.406 120.300 0.186 0.000 2.242 81 Y HA -0.072 4.478 4.550 -0.000 0.000 0.291 81 Y C 2.460 178.465 175.900 0.176 0.000 1.137 81 Y CA 0.890 59.110 58.100 0.200 0.000 1.181 81 Y CB -0.668 37.935 38.460 0.238 0.000 0.989 81 Y HN 0.010 nan 8.280 nan 0.000 0.527 82 M N -1.423 118.347 119.600 0.283 0.000 2.132 82 M HA -0.218 4.262 4.480 -0.000 0.000 0.263 82 M C 2.176 178.600 176.300 0.207 0.000 1.065 82 M CA 1.839 57.256 55.300 0.196 0.000 1.122 82 M CB -0.451 32.214 32.600 0.108 0.000 1.365 82 M HN 0.281 nan 8.290 nan 0.000 0.411 83 H N 0.123 119.269 119.070 0.125 0.000 2.293 83 H HA -0.095 4.461 4.556 -0.000 0.000 0.300 83 H C 1.910 177.339 175.328 0.169 0.000 1.082 83 H CA 2.433 58.556 56.048 0.125 0.000 1.308 83 H CB -0.071 29.753 29.762 0.103 0.000 1.375 83 H HN 0.336 nan 8.280 nan 0.000 0.495 84 A N 0.478 123.485 122.820 0.312 0.000 1.877 84 A HA -0.217 4.103 4.320 -0.000 0.000 0.216 84 A C 2.267 179.997 177.584 0.242 0.000 1.186 84 A CA 1.900 54.104 52.037 0.277 0.000 0.620 84 A CB -0.488 18.714 19.000 0.337 0.000 0.822 84 A HN 0.538 nan 8.150 nan 0.000 0.443 85 N N -0.099 118.748 118.700 0.244 0.000 2.270 85 N HA -0.064 4.676 4.740 -0.000 0.000 0.181 85 N C 1.794 177.418 175.510 0.190 0.000 1.016 85 N CA 1.219 54.401 53.050 0.219 0.000 0.870 85 N CB -0.664 37.942 38.487 0.199 0.000 0.979 85 N HN 0.472 nan 8.380 nan 0.000 0.431 86 G N 0.392 109.281 108.800 0.149 0.000 2.448 86 G HA2 -0.137 3.823 3.960 -0.000 0.000 0.219 86 G HA3 -0.137 3.823 3.960 -0.000 0.000 0.219 86 G C 1.588 176.573 174.900 0.142 0.000 1.127 86 G CA 0.949 46.120 45.100 0.119 0.000 0.766 86 G HN 0.408 nan 8.290 nan 0.000 0.552 87 A N 0.465 123.352 122.820 0.111 0.000 1.929 87 A HA 0.112 4.431 4.320 -0.000 0.000 0.216 87 A C 2.656 180.347 177.584 0.179 0.000 1.176 87 A CA 2.049 54.146 52.037 0.099 0.000 0.628 87 A CB -0.421 18.610 19.000 0.051 0.000 0.816 87 A HN 0.287 nan 8.150 nan 0.000 0.444 88 S N -0.693 115.186 115.700 0.298 0.000 2.387 88 S HA -0.064 4.406 4.470 -0.000 0.000 0.226 88 S C 2.055 176.920 174.600 0.443 0.000 1.026 88 S CA 1.266 59.763 58.200 0.495 0.000 0.972 88 S CB -0.273 63.331 63.200 0.672 0.000 0.814 88 S HN 0.448 nan 8.310 nan 0.000 0.477 89 M N 0.393 120.174 119.600 0.302 0.000 2.108 89 M HA -0.061 4.419 4.480 -0.000 0.000 0.261 89 M C 1.820 178.241 176.300 0.203 0.000 1.066 89 M CA 1.293 56.727 55.300 0.223 0.000 1.107 89 M CB -1.320 31.373 32.600 0.155 0.000 1.356 89 M HN 0.331 nan 8.290 nan 0.000 0.406 90 F N -0.222 119.738 119.950 0.017 0.000 2.333 90 F HA -0.149 4.378 4.527 -0.000 0.000 0.300 90 F C 1.887 177.538 175.800 -0.248 0.000 1.083 90 F CA 0.971 58.901 58.000 -0.115 0.000 1.395 90 F CB -0.449 38.454 39.000 -0.161 0.000 1.056 90 F HN -0.034 nan 8.300 nan 0.000 0.529 91 F N -1.163 118.755 119.950 -0.053 0.000 2.473 91 F HA -0.021 4.506 4.527 -0.000 0.000 0.294 91 F C 2.249 177.885 175.800 -0.272 0.000 1.103 91 F CA 0.257 58.015 58.000 -0.403 0.000 1.442 91 F CB -0.170 38.348 39.000 -0.803 0.000 1.097 91 F HN -0.161 nan 8.300 nan 0.000 0.547 92 I N -0.628 120.098 120.570 0.260 0.000 2.252 92 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 92 I C 2.227 178.356 176.117 0.019 0.000 1.102 92 I CA 1.269 62.721 61.300 0.253 0.000 1.385 92 I CB -0.985 37.160 38.000 0.242 0.000 1.064 92 I HN 0.199 nan 8.210 nan 0.000 0.414 93 C N -0.089 119.192 119.300 -0.031 0.000 2.457 93 C HA -0.089 4.371 4.460 -0.000 0.000 0.278 93 C C 2.676 177.601 174.990 -0.109 0.000 1.309 93 C CA -0.140 58.807 59.018 -0.118 0.000 1.735 93 C CB -1.011 26.750 27.740 0.036 0.000 1.992 93 C HN 0.413 nan 8.230 nan 0.000 0.493 94 L N 0.363 121.491 121.223 -0.158 0.000 2.043 94 L HA -0.180 4.160 4.340 -0.000 0.000 0.212 94 L C 2.326 179.181 176.870 -0.025 0.000 1.075 94 L CA 2.117 56.835 54.840 -0.204 0.000 0.752 94 L CB -1.127 40.606 42.059 -0.544 0.000 0.891 94 L HN 0.321 nan 8.230 nan 0.000 0.432 95 Y N -1.344 118.941 120.300 -0.025 0.000 2.092 95 Y HA -0.194 4.356 4.550 -0.000 0.000 0.282 95 Y C 2.642 178.525 175.900 -0.029 0.000 1.126 95 Y CA 1.315 59.409 58.100 -0.010 0.000 1.111 95 Y CB -1.116 37.383 38.460 0.065 0.000 0.987 95 Y HN 0.107 nan 8.280 nan 0.000 0.489 96 M N -0.879 118.747 119.600 0.043 0.000 2.108 96 M HA -0.310 4.170 4.480 -0.000 0.000 0.257 96 M C 2.131 178.491 176.300 0.100 0.000 1.071 96 M CA 2.165 57.435 55.300 -0.049 0.000 1.093 96 M CB -0.580 31.648 32.600 -0.620 0.000 1.345 96 M HN 0.317 nan 8.290 nan 0.000 0.403 97 H N -0.538 118.525 119.070 -0.012 0.000 2.289 97 H HA -0.154 4.402 4.556 -0.000 0.000 0.296 97 H C 1.746 177.145 175.328 0.119 0.000 1.091 97 H CA 2.286 58.418 56.048 0.140 0.000 1.274 97 H CB -0.154 29.668 29.762 0.100 0.000 1.364 97 H HN 0.152 nan 8.280 nan 0.000 0.490 98 V N -0.021 120.008 119.914 0.192 0.000 2.626 98 V HA -0.164 3.956 4.120 -0.000 0.000 0.252 98 V C 2.593 178.778 176.094 0.151 0.000 1.067 98 V CA 1.521 63.896 62.300 0.124 0.000 1.081 98 V CB -1.068 30.785 31.823 0.050 0.000 0.686 98 V HN 0.691 nan 8.190 nan 0.000 0.468 99 G N 0.160 109.033 108.800 0.122 0.000 2.434 99 G HA2 -0.261 3.699 3.960 -0.000 0.000 0.214 99 G HA3 -0.261 3.699 3.960 -0.000 0.000 0.214 99 G C 1.694 176.619 174.900 0.041 0.000 1.202 99 G CA 0.762 45.937 45.100 0.125 0.000 0.788 99 G HN 0.318 nan 8.290 nan 0.000 0.539 100 R N 1.230 121.707 120.500 -0.038 0.000 2.115 100 R HA -0.122 4.218 4.340 -0.000 0.000 0.239 100 R C 2.689 178.974 176.300 -0.025 0.000 1.133 100 R CA 2.394 58.417 56.100 -0.128 0.000 0.935 100 R CB -1.457 28.748 30.300 -0.158 0.000 0.853 100 R HN 0.293 nan 8.270 nan 0.000 0.433 101 G N 1.610 110.424 108.800 0.024 0.000 2.476 101 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.218 101 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.218 101 G C 1.749 176.802 174.900 0.255 0.000 1.164 101 G CA 0.894 46.119 45.100 0.209 0.000 0.768 101 G HN 0.402 nan 8.290 nan 0.000 0.560 102 L N -1.310 120.066 121.223 0.256 0.000 2.056 102 L HA 0.012 4.352 4.340 -0.000 0.000 0.207 102 L C 2.566 179.406 176.870 -0.049 0.000 1.078 102 L CA 1.511 56.418 54.840 0.112 0.000 0.749 102 L CB -0.284 41.858 42.059 0.139 0.000 0.901 102 L HN 0.375 nan 8.230 nan 0.000 0.433 103 Y N -0.162 119.852 120.300 -0.477 0.000 2.049 103 Y HA -0.341 4.209 4.550 -0.000 0.000 0.277 103 Y C 1.953 177.482 175.900 -0.618 0.000 1.143 103 Y CA 2.104 59.611 58.100 -0.987 0.000 1.115 103 Y CB -0.516 37.071 38.460 -1.455 0.000 0.975 103 Y HN 0.144 nan 8.280 nan 0.000 0.487 104 Y N 0.366 120.664 120.300 -0.003 0.000 2.619 104 Y HA 0.131 4.681 4.550 -0.000 0.000 0.308 104 Y C 1.896 177.707 175.900 -0.148 0.000 1.192 104 Y CA 0.645 58.745 58.100 0.000 0.000 1.319 104 Y CB -0.242 38.282 38.460 0.106 0.000 1.030 104 Y HN 0.457 nan 8.280 nan 0.000 0.517 105 G N -1.356 107.373 108.800 -0.118 0.000 2.199 105 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.254 105 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.254 105 G C 1.416 175.638 174.900 -1.130 0.000 0.982 105 G CA 0.579 45.268 45.100 -0.685 0.000 0.632 105 G HN 0.362 nan 8.290 nan 0.000 0.529 106 S N 0.444 115.815 115.700 -0.547 0.000 2.409 106 S HA -0.313 4.157 4.470 -0.000 0.000 0.237 106 S C 1.964 176.155 174.600 -0.682 0.000 1.060 106 S CA 2.465 60.347 58.200 -0.530 0.000 1.052 106 S CB -0.672 62.465 63.200 -0.105 0.000 0.871 106 S HN 1.186 nan 8.310 nan 0.000 0.465 107 Y N 2.715 122.588 120.300 -0.711 0.000 2.425 107 Y HA -0.189 4.361 4.550 -0.000 0.000 0.285 107 Y C 2.335 177.855 175.900 -0.633 0.000 1.170 107 Y CA 0.919 58.359 58.100 -1.099 0.000 1.304 107 Y CB -2.480 34.770 38.460 -2.016 0.000 0.972 107 Y HN 0.351 nan 8.280 nan 0.000 0.558 108 T N -1.889 112.109 114.554 -0.926 0.000 2.685 108 T HA -0.291 4.059 4.350 -0.000 0.000 0.268 108 T C 0.568 175.118 174.700 -0.250 0.000 1.034 108 T CA 1.060 62.784 62.100 -0.627 0.000 1.149 108 T CB -1.145 67.267 68.868 -0.760 0.000 0.860 108 T HN 0.208 nan 8.240 nan 0.000 0.449 109 F N 3.094 122.949 119.950 -0.159 0.000 2.670 109 F HA 0.370 4.897 4.527 -0.000 0.000 0.345 109 F C 1.510 177.310 175.800 0.000 0.000 1.303 109 F CA -1.948 56.022 58.000 -0.049 0.000 1.172 109 F CB -1.493 37.507 39.000 -0.000 0.000 1.602 109 F HN 0.091 nan 8.300 nan 0.000 0.679 110 L N 0.444 121.755 121.223 0.147 0.000 1.980 110 L HA -0.348 3.992 4.340 -0.000 0.000 0.232 110 L C 2.193 179.124 176.870 0.102 0.000 1.092 110 L CA 1.929 56.837 54.840 0.113 0.000 0.808 110 L CB -0.531 41.563 42.059 0.059 0.000 0.908 110 L HN 0.289 nan 8.230 nan 0.000 0.442 111 E N -0.384 119.779 120.200 -0.061 0.000 2.065 111 E HA -0.228 4.122 4.350 -0.000 0.000 0.201 111 E C 1.975 178.443 176.600 -0.219 0.000 1.016 111 E CA 2.203 58.394 56.400 -0.347 0.000 0.818 111 E CB -0.589 28.536 29.700 -0.958 0.000 0.749 111 E HN 0.477 nan 8.360 nan 0.000 0.453 112 T N 0.465 114.991 114.554 -0.046 0.000 2.635 112 T HA -0.241 4.109 4.350 -0.000 0.000 0.267 112 T C 1.298 176.176 174.700 0.297 0.000 1.040 112 T CA 1.440 63.584 62.100 0.074 0.000 1.156 112 T CB -0.588 68.343 68.868 0.105 0.000 0.863 112 T HN 0.407 nan 8.240 nan 0.000 0.430 113 W N 2.552 123.939 121.300 0.145 0.000 2.333 113 W HA -0.207 4.453 4.660 -0.000 0.000 0.316 113 W C 2.009 178.604 176.519 0.126 0.000 1.215 113 W CA 1.556 59.004 57.345 0.170 0.000 1.278 113 W CB -0.559 28.989 29.460 0.146 0.000 1.154 113 W HN 0.393 nan 8.180 nan 0.000 0.486 114 N N 0.311 119.163 118.700 0.253 0.000 2.104 114 N HA -0.235 4.505 4.740 -0.000 0.000 0.190 114 N C 1.673 177.190 175.510 0.012 0.000 1.024 114 N CA 1.581 54.677 53.050 0.076 0.000 0.853 114 N CB -0.363 38.170 38.487 0.076 0.000 1.008 114 N HN 0.031 nan 8.380 nan 0.000 0.424 115 I N 1.588 122.196 120.570 0.064 0.000 2.127 115 I HA -0.176 3.994 4.170 -0.000 0.000 0.241 115 I C 2.699 178.815 176.117 -0.002 0.000 1.075 115 I CA 1.353 62.706 61.300 0.089 0.000 1.334 115 I CB -1.810 36.342 38.000 0.253 0.000 1.040 115 I HN 0.159 nan 8.210 nan 0.000 0.405 116 G N 0.040 108.859 108.800 0.031 0.000 2.485 116 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.221 116 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.221 116 G C 1.873 176.623 174.900 -0.249 0.000 1.115 116 G CA 1.006 45.996 45.100 -0.184 0.000 0.751 116 G HN 0.307 nan 8.290 nan 0.000 0.567 117 V N 0.799 120.551 119.914 -0.270 0.000 2.346 117 V HA -0.025 4.095 4.120 -0.000 0.000 0.244 117 V C 2.593 178.599 176.094 -0.147 0.000 1.037 117 V CA 0.838 62.981 62.300 -0.261 0.000 1.029 117 V CB -0.187 31.479 31.823 -0.261 0.000 0.663 117 V HN 0.264 nan 8.190 nan 0.000 0.454 118 I N -0.319 120.191 120.570 -0.100 0.000 2.567 118 I HA -0.175 3.994 4.170 -0.000 0.000 0.257 118 I C 2.102 178.170 176.117 -0.082 0.000 1.184 118 I CA 1.576 62.839 61.300 -0.061 0.000 1.451 118 I CB -0.619 37.367 38.000 -0.023 0.000 1.089 118 I HN 0.269 nan 8.210 nan 0.000 0.441 119 L N -0.747 120.401 121.223 -0.125 0.000 2.007 119 L HA -0.212 4.128 4.340 -0.000 0.000 0.205 119 L C 2.468 179.237 176.870 -0.168 0.000 1.073 119 L CA 0.739 55.487 54.840 -0.153 0.000 0.744 119 L CB -0.567 41.352 42.059 -0.234 0.000 0.898 119 L HN 0.167 nan 8.230 nan 0.000 0.435 120 L N 0.157 121.267 121.223 -0.188 0.000 1.991 120 L HA -0.297 4.043 4.340 -0.000 0.000 0.221 120 L C 2.395 179.176 176.870 -0.149 0.000 1.079 120 L CA 1.961 56.681 54.840 -0.200 0.000 0.778 120 L CB -0.629 41.328 42.059 -0.169 0.000 0.893 120 L HN 0.103 nan 8.230 nan 0.000 0.437 121 L N -1.073 120.101 121.223 -0.082 0.000 1.997 121 L HA -0.322 4.018 4.340 -0.000 0.000 0.216 121 L C 2.427 179.282 176.870 -0.026 0.000 1.074 121 L CA 2.216 57.043 54.840 -0.022 0.000 0.763 121 L CB -1.143 40.907 42.059 -0.016 0.000 0.890 121 L HN 0.380 nan 8.230 nan 0.000 0.434 122 T N -1.062 113.453 114.554 -0.065 0.000 2.652 122 T HA -0.225 4.125 4.350 -0.000 0.000 0.267 122 T C 1.814 176.446 174.700 -0.115 0.000 1.039 122 T CA 1.720 63.776 62.100 -0.074 0.000 1.153 122 T CB -0.332 68.489 68.868 -0.078 0.000 0.863 122 T HN 0.241 nan 8.240 nan 0.000 0.428 123 V N 0.444 120.230 119.914 -0.214 0.000 2.759 123 V HA -0.058 4.062 4.120 -0.000 0.000 0.256 123 V C 2.063 177.997 176.094 -0.266 0.000 1.080 123 V CA 1.453 63.525 62.300 -0.381 0.000 1.101 123 V CB -0.501 30.912 31.823 -0.685 0.000 0.698 123 V HN 0.479 nan 8.190 nan 0.000 0.477 124 M N -0.000 119.550 119.600 -0.082 0.000 2.074 124 M HA -0.007 4.473 4.480 -0.000 0.000 0.259 124 M C 2.395 178.907 176.300 0.354 0.000 1.079 124 M CA 2.350 57.826 55.300 0.293 0.000 1.119 124 M CB -0.566 32.221 32.600 0.310 0.000 1.297 124 M HN 0.405 nan 8.290 nan 0.000 0.416 125 A N -0.569 122.390 122.820 0.232 0.000 2.009 125 A HA -0.242 4.078 4.320 -0.000 0.000 0.222 125 A C 2.103 179.808 177.584 0.202 0.000 1.175 125 A CA 2.571 54.745 52.037 0.228 0.000 0.651 125 A CB -1.415 17.642 19.000 0.095 0.000 0.815 125 A HN 0.583 nan 8.150 nan 0.000 0.459 126 T N -0.360 114.258 114.554 0.106 0.000 2.701 126 T HA 0.037 4.387 4.350 -0.000 0.000 0.263 126 T C 2.235 177.077 174.700 0.237 0.000 1.040 126 T CA 1.695 63.861 62.100 0.110 0.000 1.147 126 T CB -0.446 68.393 68.868 -0.048 0.000 0.865 126 T HN 0.650 nan 8.240 nan 0.000 0.426 127 A N 0.753 123.703 122.820 0.217 0.000 2.019 127 A HA -0.015 4.305 4.320 -0.000 0.000 0.219 127 A C 1.980 179.764 177.584 0.332 0.000 1.164 127 A CA 1.350 53.547 52.037 0.266 0.000 0.644 127 A CB -0.968 18.202 19.000 0.284 0.000 0.805 127 A HN 0.646 nan 8.150 nan 0.000 0.449 128 F N 0.250 120.333 119.950 0.221 0.000 2.031 128 F HA -0.228 4.298 4.527 -0.000 0.000 0.295 128 F C 2.268 178.187 175.800 0.199 0.000 1.133 128 F CA 2.228 60.316 58.000 0.147 0.000 1.188 128 F CB -0.253 38.766 39.000 0.030 0.000 0.974 128 F HN 0.153 nan 8.300 nan 0.000 0.473 129 M N 0.798 120.028 119.600 -0.616 0.000 2.279 129 M HA -0.097 4.383 4.480 -0.000 0.000 0.264 129 M C 2.406 178.524 176.300 -0.303 0.000 1.062 129 M CA 1.315 56.226 55.300 -0.648 0.000 1.099 129 M CB -1.155 31.120 32.600 -0.540 0.000 1.394 129 M HN 0.494 nan 8.290 nan 0.000 0.426 130 G N 0.641 109.231 108.800 -0.350 0.000 2.514 130 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.217 130 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.217 130 G C 1.204 175.990 174.900 -0.190 0.000 1.198 130 G CA 1.151 45.843 45.100 -0.680 0.000 0.780 130 G HN 0.646 nan 8.290 nan 0.000 0.565 131 Y N 1.042 121.275 120.300 -0.111 0.000 2.578 131 Y HA 0.306 4.856 4.550 -0.000 0.000 0.297 131 Y C 1.941 177.847 175.900 0.011 0.000 1.176 131 Y CA 0.185 58.278 58.100 -0.012 0.000 1.315 131 Y CB -0.181 38.318 38.460 0.064 0.000 1.031 131 Y HN 0.026 nan 8.280 nan 0.000 0.524 132 V N 0.793 120.559 119.914 -0.247 0.000 2.788 132 V HA -0.190 3.930 4.120 -0.000 0.000 0.251 132 V C 2.390 178.497 176.094 0.023 0.000 1.068 132 V CA 1.050 63.225 62.300 -0.208 0.000 1.090 132 V CB -0.447 31.330 31.823 -0.076 0.000 0.710 132 V HN 0.483 nan 8.190 nan 0.000 0.467 133 L N 0.628 121.851 121.223 0.001 0.000 1.956 133 L HA -0.159 4.181 4.340 -0.000 0.000 0.216 133 L C -0.115 176.859 176.870 0.173 0.000 1.073 133 L CA 2.028 56.902 54.840 0.056 0.000 0.762 133 L CB -2.261 39.711 42.059 -0.145 0.000 0.889 133 L HN 0.362 nan 8.230 nan 0.000 0.433 134 P HA -0.188 nan 4.420 nan 0.000 0.236 134 P C -0.094 177.352 177.300 0.244 0.000 1.172 134 P CA 0.451 63.627 63.100 0.127 0.000 0.759 134 P CB -0.170 31.489 31.700 -0.067 0.000 0.843 135 W N -0.322 120.970 121.300 -0.013 0.000 5.655 135 W HA -0.144 4.516 4.660 -0.000 0.000 0.428 135 W C -0.132 176.451 176.519 0.107 0.000 1.712 135 W CA -0.170 57.191 57.345 0.026 0.000 0.956 135 W CB -1.158 28.337 29.460 0.057 0.000 2.931 135 W HN 0.005 nan 8.180 nan 0.000 1.293 136 G N 1.184 110.038 108.800 0.091 0.000 2.552 136 G HA2 0.307 4.267 3.960 -0.000 0.000 0.324 136 G HA3 0.307 4.267 3.960 -0.000 0.000 0.324 136 G C 0.458 175.353 174.900 -0.009 0.000 1.217 136 G CA -0.151 45.012 45.100 0.104 0.000 0.989 136 G HN 0.217 nan 8.290 nan 0.000 0.490 137 Q N -0.502 119.347 119.800 0.082 0.000 2.014 137 Q HA -0.146 4.194 4.340 -0.000 0.000 0.207 137 Q C 2.744 178.881 176.000 0.229 0.000 0.993 137 Q CA 1.357 57.265 55.803 0.176 0.000 0.850 137 Q CB -0.338 28.541 28.738 0.234 0.000 0.916 137 Q HN 0.474 nan 8.270 nan 0.000 0.417 138 M N 0.388 120.102 119.600 0.189 0.000 2.149 138 M HA -0.123 4.357 4.480 -0.000 0.000 0.261 138 M C 2.185 178.473 176.300 -0.021 0.000 1.064 138 M CA 1.255 56.684 55.300 0.216 0.000 1.102 138 M CB -1.220 31.575 32.600 0.325 0.000 1.369 138 M HN 0.056 nan 8.290 nan 0.000 0.408 139 S N 0.395 115.933 115.700 -0.270 0.000 2.343 139 S HA -0.153 4.316 4.470 -0.000 0.000 0.219 139 S C 1.788 176.161 174.600 -0.379 0.000 1.033 139 S CA 1.336 59.197 58.200 -0.566 0.000 1.014 139 S CB -0.695 62.322 63.200 -0.304 0.000 0.915 139 S HN 0.469 nan 8.310 nan 0.000 0.435 140 F N 0.788 120.393 119.950 -0.576 0.000 2.095 140 F HA -0.130 4.397 4.527 -0.000 0.000 0.298 140 F C 1.874 177.282 175.800 -0.652 0.000 1.104 140 F CA 1.423 58.913 58.000 -0.850 0.000 1.232 140 F CB -0.337 37.877 39.000 -1.311 0.000 0.987 140 F HN 0.233 nan 8.300 nan 0.000 0.475 141 W N 0.059 121.377 121.300 0.029 0.000 2.418 141 W HA 0.076 4.736 4.660 -0.000 0.000 0.292 141 W C 2.662 179.178 176.519 -0.004 0.000 1.213 141 W CA 0.937 58.307 57.345 0.042 0.000 1.283 141 W CB -1.167 28.346 29.460 0.087 0.000 1.119 141 W HN 0.077 nan 8.180 nan 0.000 0.542 142 G N 0.718 109.617 108.800 0.165 0.000 2.459 142 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.217 142 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.217 142 G C 1.679 176.691 174.900 0.187 0.000 1.183 142 G CA 1.656 46.874 45.100 0.196 0.000 0.776 142 G HN 0.292 nan 8.290 nan 0.000 0.552 143 A N 0.193 123.025 122.820 0.021 0.000 1.978 143 A HA -0.041 4.279 4.320 -0.000 0.000 0.220 143 A C 2.538 180.201 177.584 0.131 0.000 1.170 143 A CA 2.618 54.715 52.037 0.100 0.000 0.636 143 A CB -0.797 18.049 19.000 -0.257 0.000 0.810 143 A HN 0.374 nan 8.150 nan 0.000 0.448 144 T N -0.623 113.911 114.554 -0.034 0.000 2.770 144 T HA -0.047 4.303 4.350 -0.000 0.000 0.258 144 T C 1.865 176.698 174.700 0.222 0.000 1.039 144 T CA 1.365 63.532 62.100 0.112 0.000 1.143 144 T CB -0.632 68.214 68.868 -0.037 0.000 0.866 144 T HN 0.169 nan 8.240 nan 0.000 0.428 145 V N 1.822 121.842 119.914 0.177 0.000 2.407 145 V HA -0.111 4.009 4.120 -0.000 0.000 0.248 145 V C 2.468 178.577 176.094 0.024 0.000 1.055 145 V CA 1.294 63.667 62.300 0.121 0.000 1.049 145 V CB -0.878 31.008 31.823 0.105 0.000 0.662 145 V HN 0.447 nan 8.190 nan 0.000 0.455 146 I N 0.105 120.657 120.570 -0.030 0.000 2.163 146 I HA -0.223 3.947 4.170 -0.000 0.000 0.240 146 I C 2.652 178.667 176.117 -0.169 0.000 1.081 146 I CA 1.926 63.108 61.300 -0.197 0.000 1.353 146 I CB -0.806 36.904 38.000 -0.484 0.000 1.054 146 I HN 0.279 nan 8.210 nan 0.000 0.407 147 T N 0.819 115.337 114.554 -0.061 0.000 2.652 147 T HA -0.174 4.176 4.350 -0.000 0.000 0.267 147 T C 1.706 176.243 174.700 -0.273 0.000 1.039 147 T CA 1.453 63.454 62.100 -0.164 0.000 1.153 147 T CB -0.387 68.323 68.868 -0.264 0.000 0.863 147 T HN 0.264 nan 8.240 nan 0.000 0.428 148 N N 1.173 119.741 118.700 -0.220 0.000 2.503 148 N HA -0.034 4.706 4.740 -0.000 0.000 0.189 148 N C 1.659 177.111 175.510 -0.095 0.000 1.048 148 N CA 0.544 53.495 53.050 -0.165 0.000 0.905 148 N CB -0.407 38.085 38.487 0.009 0.000 0.951 148 N HN 0.408 nan 8.380 nan 0.000 0.446 149 L N 0.317 121.486 121.223 -0.090 0.000 2.131 149 L HA -0.116 4.224 4.340 -0.000 0.000 0.210 149 L C 1.866 178.698 176.870 -0.063 0.000 1.092 149 L CA 0.744 55.547 54.840 -0.062 0.000 0.759 149 L CB -0.230 41.787 42.059 -0.071 0.000 0.903 149 L HN 0.155 nan 8.230 nan 0.000 0.435 150 L N -0.978 120.188 121.223 -0.095 0.000 2.551 150 L HA -0.053 4.287 4.340 -0.000 0.000 0.228 150 L C 2.362 179.192 176.870 -0.066 0.000 1.153 150 L CA 0.684 55.479 54.840 -0.074 0.000 0.851 150 L CB -0.648 41.362 42.059 -0.081 0.000 0.959 150 L HN 0.299 nan 8.230 nan 0.000 0.451 151 S N -0.235 115.417 115.700 -0.080 0.000 2.660 151 S HA 0.104 4.573 4.470 -0.000 0.000 0.223 151 S C 1.714 176.307 174.600 -0.011 0.000 0.963 151 S CA 0.434 58.606 58.200 -0.048 0.000 0.932 151 S CB 0.087 63.260 63.200 -0.045 0.000 0.775 151 S HN 0.350 nan 8.310 nan 0.000 0.531 152 A N 1.290 124.103 122.820 -0.012 0.000 2.115 152 A HA 0.451 4.771 4.320 -0.000 0.000 0.211 152 A C 0.827 178.417 177.584 0.010 0.000 1.169 152 A CA -0.274 51.764 52.037 0.002 0.000 0.787 152 A CB -0.349 18.651 19.000 -0.001 0.000 0.858 152 A HN 0.612 nan 8.150 nan 0.000 0.474 153 I N 2.002 122.577 120.570 0.008 0.000 2.664 153 I HA 0.082 4.252 4.170 -0.000 0.000 0.284 153 I C -2.347 173.796 176.117 0.042 0.000 1.154 153 I CA -1.537 59.775 61.300 0.021 0.000 1.402 153 I CB 0.280 38.289 38.000 0.015 0.000 1.395 153 I HN 0.024 nan 8.210 nan 0.000 0.545 154 P HA -0.149 nan 4.420 nan 0.000 0.256 154 P C 0.026 177.445 177.300 0.198 0.000 1.173 154 P CA 0.652 63.810 63.100 0.097 0.000 0.768 154 P CB -0.029 31.713 31.700 0.070 0.000 0.758 155 Y N 3.117 123.420 120.300 0.005 0.000 4.936 155 Y HA -0.291 4.259 4.550 -0.000 0.000 0.260 155 Y C 0.334 176.238 175.900 0.006 0.000 0.928 155 Y CA 1.431 59.535 58.100 0.007 0.000 1.869 155 Y CB -1.976 36.486 38.460 0.003 0.000 1.344 155 Y HN 0.405 nan 8.280 nan 0.000 0.521 156 I N -2.101 118.454 120.570 -0.026 0.000 4.578 156 I HA 0.196 4.366 4.170 -0.000 0.000 0.312 156 I C 2.348 178.437 176.117 -0.048 0.000 1.224 156 I CA 0.523 61.769 61.300 -0.091 0.000 1.318 156 I CB -0.353 37.629 38.000 -0.030 0.000 1.388 156 I HN 0.229 nan 8.210 nan 0.000 0.461 157 G N 1.861 110.654 108.800 -0.012 0.000 2.830 157 G HA2 -0.393 3.567 3.960 -0.000 0.000 0.230 157 G HA3 -0.393 3.567 3.960 -0.000 0.000 0.230 157 G C 1.398 176.285 174.900 -0.023 0.000 1.172 157 G CA 2.424 47.516 45.100 -0.014 0.000 0.764 157 G HN 0.334 nan 8.290 nan 0.000 0.640 158 T N 1.184 115.736 114.554 -0.003 0.000 2.496 158 T HA -0.201 4.149 4.350 -0.000 0.000 0.254 158 T C 2.050 176.774 174.700 0.040 0.000 1.161 158 T CA 1.597 63.715 62.100 0.031 0.000 1.231 158 T CB -0.924 67.975 68.868 0.052 0.000 0.866 158 T HN 0.573 nan 8.240 nan 0.000 0.396 159 N N 1.134 119.847 118.700 0.021 0.000 2.171 159 N HA -0.204 4.536 4.740 -0.000 0.000 0.200 159 N C 1.661 177.215 175.510 0.074 0.000 0.991 159 N CA 1.308 54.372 53.050 0.024 0.000 0.906 159 N CB -0.442 38.008 38.487 -0.061 0.000 1.060 159 N HN 0.099 nan 8.380 nan 0.000 0.510 160 L N 0.295 121.546 121.223 0.046 0.000 2.005 160 L HA -0.059 4.281 4.340 -0.000 0.000 0.207 160 L C 2.173 179.122 176.870 0.133 0.000 1.072 160 L CA 1.136 56.049 54.840 0.122 0.000 0.744 160 L CB -0.607 41.483 42.059 0.052 0.000 0.895 160 L HN 0.048 nan 8.230 nan 0.000 0.433 161 V N -0.548 119.343 119.914 -0.038 0.000 2.282 161 V HA -0.354 3.766 4.120 -0.000 0.000 0.249 161 V C 2.475 178.416 176.094 -0.254 0.000 1.057 161 V CA 2.060 64.183 62.300 -0.296 0.000 1.032 161 V CB -0.426 31.134 31.823 -0.440 0.000 0.645 161 V HN 0.486 nan 8.190 nan 0.000 0.447 162 E N -1.651 118.603 120.200 0.090 0.000 2.204 162 E HA -0.258 4.092 4.350 -0.000 0.000 0.194 162 E C 1.832 178.622 176.600 0.317 0.000 0.989 162 E CA 1.442 58.058 56.400 0.361 0.000 0.824 162 E CB -0.169 29.697 29.700 0.277 0.000 0.756 162 E HN 0.784 nan 8.360 nan 0.000 0.477 163 W N 1.202 122.546 121.300 0.073 0.000 2.407 163 W HA -0.094 4.566 4.660 -0.000 0.000 0.305 163 W C 1.748 178.345 176.519 0.130 0.000 1.196 163 W CA 1.455 58.843 57.345 0.072 0.000 1.311 163 W CB -0.152 29.327 29.460 0.033 0.000 1.135 163 W HN 0.082 nan 8.180 nan 0.000 0.514 164 I N -2.016 118.531 120.570 -0.039 0.000 3.444 164 I HA 0.025 4.195 4.170 -0.000 0.000 0.287 164 I C 1.499 177.686 176.117 0.116 0.000 1.302 164 I CA 0.769 61.942 61.300 -0.212 0.000 1.368 164 I CB -0.603 37.349 38.000 -0.079 0.000 1.048 164 I HN -0.014 nan 8.210 nan 0.000 0.487 165 W N 2.248 123.529 121.300 -0.032 0.000 2.640 165 W HA 0.409 5.069 4.660 -0.000 0.000 0.271 165 W C 1.861 178.340 176.519 -0.066 0.000 1.218 165 W CA 0.821 58.156 57.345 -0.018 0.000 1.382 165 W CB -0.246 29.218 29.460 0.006 0.000 1.067 165 W HN 0.353 nan 8.180 nan 0.000 0.590 166 G N 1.064 109.942 108.800 0.131 0.000 2.212 166 G HA2 0.159 4.119 3.960 -0.000 0.000 0.255 166 G HA3 0.159 4.119 3.960 -0.000 0.000 0.255 166 G C 0.416 175.293 174.900 -0.037 0.000 1.062 166 G CA 0.425 45.528 45.100 0.005 0.000 0.815 166 G HN 0.836 nan 8.290 nan 0.000 0.497 167 G N -2.008 106.759 108.800 -0.054 0.000 2.441 167 G HA2 0.470 4.430 3.960 -0.000 0.000 0.222 167 G HA3 0.470 4.430 3.960 -0.000 0.000 0.222 167 G C -0.147 174.608 174.900 -0.242 0.000 1.254 167 G CA 0.278 45.273 45.100 -0.174 0.000 0.959 167 G HN 0.562 nan 8.290 nan 0.000 0.474 168 F N 1.095 121.028 119.950 -0.028 0.000 2.682 168 F HA 0.729 5.256 4.527 -0.000 0.000 0.308 168 F C 1.029 176.679 175.800 -0.250 0.000 1.093 168 F CA 0.325 58.312 58.000 -0.021 0.000 1.244 168 F CB 1.368 40.375 39.000 0.012 0.000 1.052 168 F HN 0.514 nan 8.300 nan 0.000 0.573 169 S N -1.382 114.105 115.700 -0.356 0.000 2.661 169 S HA 0.440 4.910 4.470 -0.000 0.000 0.268 169 S C -1.179 172.888 174.600 -0.889 0.000 1.162 169 S CA -0.609 57.117 58.200 -0.791 0.000 0.817 169 S CB 0.901 63.920 63.200 -0.302 0.000 1.141 169 S HN -0.348 nan 8.310 nan 0.000 0.477 170 V N 3.549 122.919 119.914 -0.906 0.000 2.356 170 V HA 0.143 4.263 4.120 -0.000 0.000 0.244 170 V C 0.411 176.484 176.094 -0.034 0.000 1.120 170 V CA 0.732 62.652 62.300 -0.634 0.000 1.181 170 V CB -0.867 30.329 31.823 -1.045 0.000 1.244 170 V HN 0.640 nan 8.190 nan 0.000 0.487 171 D N 2.618 122.976 120.400 -0.069 0.000 2.424 171 D HA 0.279 4.919 4.640 -0.000 0.000 0.239 171 D C 1.471 177.765 176.300 -0.011 0.000 1.246 171 D CA -0.448 53.580 54.000 0.046 0.000 1.129 171 D CB 0.764 41.544 40.800 -0.033 0.000 1.199 171 D HN 0.193 nan 8.370 nan 0.000 0.584 172 K N 0.014 120.369 120.400 -0.074 0.000 2.031 172 K HA 0.050 4.370 4.320 -0.000 0.000 0.205 172 K C 1.871 178.367 176.600 -0.173 0.000 1.049 172 K CA 0.999 57.194 56.287 -0.155 0.000 0.939 172 K CB -0.173 32.260 32.500 -0.112 0.000 0.717 172 K HN 0.235 nan 8.250 nan 0.000 0.438 173 A N 0.921 123.670 122.820 -0.117 0.000 1.940 173 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 173 A C 2.054 179.579 177.584 -0.098 0.000 1.176 173 A CA 1.956 53.935 52.037 -0.096 0.000 0.631 173 A CB -0.839 18.121 19.000 -0.066 0.000 0.814 173 A HN 0.240 nan 8.150 nan 0.000 0.446 174 T N -0.140 114.334 114.554 -0.134 0.000 3.118 174 T HA 0.113 4.463 4.350 -0.000 0.000 0.260 174 T C 1.488 175.971 174.700 -0.362 0.000 1.139 174 T CA 0.422 62.402 62.100 -0.200 0.000 1.085 174 T CB -0.049 68.692 68.868 -0.212 0.000 0.934 174 T HN 0.303 nan 8.240 nan 0.000 0.518 175 L N 1.359 122.367 121.223 -0.357 0.000 2.221 175 L HA 0.031 4.371 4.340 -0.000 0.000 0.202 175 L C 2.808 179.610 176.870 -0.113 0.000 1.074 175 L CA 1.580 56.176 54.840 -0.406 0.000 0.795 175 L CB -0.937 40.618 42.059 -0.840 0.000 0.960 175 L HN 0.372 nan 8.230 nan 0.000 0.458 176 T N -2.529 111.965 114.554 -0.100 0.000 2.777 176 T HA -0.245 4.105 4.350 -0.000 0.000 0.266 176 T C 1.972 176.702 174.700 0.051 0.000 1.040 176 T CA 1.091 63.201 62.100 0.018 0.000 1.141 176 T CB -0.305 68.534 68.868 -0.048 0.000 0.868 176 T HN 0.167 nan 8.240 nan 0.000 0.444 177 R N 0.266 120.775 120.500 0.014 0.000 2.122 177 R HA -0.065 4.275 4.340 -0.000 0.000 0.236 177 R C 2.293 178.669 176.300 0.125 0.000 1.129 177 R CA 2.336 58.420 56.100 -0.028 0.000 0.925 177 R CB -0.752 29.704 30.300 0.261 0.000 0.850 177 R HN 0.539 nan 8.270 nan 0.000 0.431 178 F N -0.745 119.255 119.950 0.083 0.000 2.091 178 F HA -0.297 4.230 4.527 -0.000 0.000 0.299 178 F C 2.273 178.191 175.800 0.197 0.000 1.103 178 F CA 1.050 59.147 58.000 0.162 0.000 1.228 178 F CB -0.404 38.622 39.000 0.042 0.000 0.984 178 F HN 0.165 nan 8.300 nan 0.000 0.477 179 F N 0.742 120.825 119.950 0.222 0.000 2.102 179 F HA -0.218 4.309 4.527 -0.000 0.000 0.298 179 F C 2.393 178.317 175.800 0.205 0.000 1.105 179 F CA 1.236 59.366 58.000 0.217 0.000 1.239 179 F CB -0.380 38.768 39.000 0.246 0.000 0.991 179 F HN -0.082 nan 8.300 nan 0.000 0.474 180 A N 0.560 123.336 122.820 -0.073 0.000 1.883 180 A HA -0.190 4.130 4.320 -0.000 0.000 0.217 180 A C 1.966 179.455 177.584 -0.159 0.000 1.186 180 A CA 1.865 53.730 52.037 -0.285 0.000 0.624 180 A CB -1.437 17.337 19.000 -0.378 0.000 0.822 180 A HN 0.441 nan 8.150 nan 0.000 0.444 181 F N -0.666 119.290 119.950 0.010 0.000 2.075 181 F HA -0.111 4.416 4.527 -0.000 0.000 0.297 181 F C 2.241 178.036 175.800 -0.008 0.000 1.113 181 F CA 1.577 59.568 58.000 -0.016 0.000 1.218 181 F CB -1.373 37.583 39.000 -0.073 0.000 0.984 181 F HN 0.498 nan 8.300 nan 0.000 0.472 182 H N -1.354 117.782 119.070 0.109 0.000 2.557 182 H HA -0.196 4.360 4.556 -0.000 0.000 0.287 182 H C 1.704 176.990 175.328 -0.069 0.000 1.043 182 H CA 1.112 57.165 56.048 0.009 0.000 1.226 182 H CB -0.298 29.488 29.762 0.039 0.000 1.361 182 H HN 0.186 nan 8.280 nan 0.000 0.592 183 F N -0.715 119.085 119.950 -0.250 0.000 2.315 183 F HA 0.131 4.658 4.527 -0.000 0.000 0.284 183 F C 2.108 177.784 175.800 -0.208 0.000 1.049 183 F CA 0.471 58.285 58.000 -0.308 0.000 1.323 183 F CB -0.259 38.518 39.000 -0.371 0.000 1.113 183 F HN 0.192 nan 8.300 nan 0.000 0.544 184 I N -0.158 120.544 120.570 0.220 0.000 3.251 184 I HA -0.138 4.032 4.170 -0.000 0.000 0.277 184 I C 1.776 177.956 176.117 0.105 0.000 1.268 184 I CA 0.468 61.918 61.300 0.251 0.000 1.449 184 I CB -0.030 38.101 38.000 0.219 0.000 1.083 184 I HN 0.165 nan 8.210 nan 0.000 0.464 185 L N 1.468 122.677 121.223 -0.023 0.000 2.072 185 L HA -0.054 4.286 4.340 -0.000 0.000 0.205 185 L C -0.492 176.279 176.870 -0.166 0.000 1.079 185 L CA 1.473 56.271 54.840 -0.071 0.000 0.752 185 L CB -1.767 40.250 42.059 -0.070 0.000 0.906 185 L HN 0.200 nan 8.230 nan 0.000 0.436 186 P HA -0.115 nan 4.420 nan 0.000 0.226 186 P C 1.219 178.331 177.300 -0.312 0.000 1.153 186 P CA 1.246 64.114 63.100 -0.386 0.000 0.777 186 P CB 0.036 31.401 31.700 -0.557 0.000 0.794 187 F N -0.830 119.120 119.950 0.000 0.000 2.118 187 F HA -0.034 4.493 4.527 -0.000 0.000 0.293 187 F C 2.298 178.113 175.800 0.024 0.000 1.102 187 F CA 0.624 58.638 58.000 0.024 0.000 1.247 187 F CB -0.956 38.072 39.000 0.046 0.000 1.017 187 F HN -0.260 nan 8.300 nan 0.000 0.475 188 I N 0.340 121.013 120.570 0.172 0.000 2.315 188 I HA -0.330 3.840 4.170 -0.000 0.000 0.251 188 I C 2.310 178.463 176.117 0.059 0.000 1.125 188 I CA 1.381 62.743 61.300 0.103 0.000 1.392 188 I CB -0.557 37.487 38.000 0.074 0.000 1.065 188 I HN 0.209 nan 8.210 nan 0.000 0.424 189 I N 0.260 120.839 120.570 0.016 0.000 2.076 189 I HA -0.380 3.790 4.170 -0.000 0.000 0.237 189 I C 2.735 178.871 176.117 0.032 0.000 1.059 189 I CA 1.817 63.113 61.300 -0.007 0.000 1.317 189 I CB -0.217 37.751 38.000 -0.053 0.000 1.037 189 I HN 0.252 nan 8.210 nan 0.000 0.398 190 M N 0.236 119.872 119.600 0.060 0.000 2.149 190 M HA -0.255 4.225 4.480 -0.000 0.000 0.261 190 M C 2.325 178.683 176.300 0.096 0.000 1.064 190 M CA 2.085 57.437 55.300 0.087 0.000 1.102 190 M CB -0.161 32.512 32.600 0.121 0.000 1.369 190 M HN 0.361 nan 8.290 nan 0.000 0.408 191 A N 0.793 123.675 122.820 0.102 0.000 1.849 191 A HA -0.232 4.088 4.320 -0.000 0.000 0.217 191 A C 1.921 179.563 177.584 0.097 0.000 1.202 191 A CA 2.143 54.238 52.037 0.096 0.000 0.629 191 A CB -1.148 17.907 19.000 0.092 0.000 0.834 191 A HN 0.574 nan 8.150 nan 0.000 0.447 192 I N -0.087 120.535 120.570 0.087 0.000 2.264 192 I HA -0.309 3.861 4.170 -0.000 0.000 0.248 192 I C 2.827 179.014 176.117 0.116 0.000 1.111 192 I CA 1.121 62.479 61.300 0.095 0.000 1.382 192 I CB -0.263 37.772 38.000 0.059 0.000 1.060 192 I HN 0.372 nan 8.210 nan 0.000 0.418 193 A N -0.082 122.787 122.820 0.082 0.000 2.125 193 A HA -0.175 4.145 4.320 -0.000 0.000 0.219 193 A C 2.302 179.997 177.584 0.184 0.000 1.156 193 A CA 1.418 53.511 52.037 0.093 0.000 0.671 193 A CB -0.491 18.536 19.000 0.044 0.000 0.794 193 A HN 0.395 nan 8.150 nan 0.000 0.459 194 M N -1.198 118.497 119.600 0.159 0.000 2.248 194 M HA -0.060 4.420 4.480 -0.000 0.000 0.265 194 M C 1.973 178.376 176.300 0.170 0.000 1.079 194 M CA 0.979 56.374 55.300 0.158 0.000 1.150 194 M CB -0.083 32.589 32.600 0.120 0.000 1.366 194 M HN 0.235 nan 8.290 nan 0.000 0.433 195 V N -0.464 119.561 119.914 0.185 0.000 2.407 195 V HA -0.296 3.824 4.120 -0.000 0.000 0.248 195 V C 2.175 178.499 176.094 0.383 0.000 1.055 195 V CA 2.207 64.641 62.300 0.224 0.000 1.049 195 V CB -1.174 30.803 31.823 0.257 0.000 0.662 195 V HN 0.475 nan 8.190 nan 0.000 0.455 196 H N 0.044 119.253 119.070 0.231 0.000 2.251 196 H HA -0.191 4.365 4.556 -0.000 0.000 0.294 196 H C 2.085 177.526 175.328 0.189 0.000 1.078 196 H CA 2.160 58.335 56.048 0.211 0.000 1.246 196 H CB -0.381 29.459 29.762 0.131 0.000 1.358 196 H HN 0.174 nan 8.280 nan 0.000 0.488 197 L N 0.233 121.563 121.223 0.178 0.000 2.013 197 L HA -0.148 4.192 4.340 -0.000 0.000 0.212 197 L C 2.596 179.492 176.870 0.044 0.000 1.073 197 L CA 1.751 56.609 54.840 0.029 0.000 0.753 197 L CB -1.530 40.603 42.059 0.123 0.000 0.890 197 L HN 0.516 nan 8.230 nan 0.000 0.432 198 L N -0.623 120.651 121.223 0.085 0.000 1.978 198 L HA -0.261 4.079 4.340 -0.000 0.000 0.218 198 L C 2.405 179.252 176.870 -0.039 0.000 1.075 198 L CA 2.100 56.936 54.840 -0.007 0.000 0.767 198 L CB -1.267 40.714 42.059 -0.131 0.000 0.890 198 L HN 0.142 nan 8.230 nan 0.000 0.434 199 F N -0.778 119.158 119.950 -0.022 0.000 2.126 199 F HA -0.220 4.307 4.527 -0.000 0.000 0.299 199 F C 2.341 178.050 175.800 -0.152 0.000 1.096 199 F CA 1.901 59.865 58.000 -0.061 0.000 1.255 199 F CB -0.948 38.033 39.000 -0.031 0.000 0.997 199 F HN 0.230 nan 8.300 nan 0.000 0.479 200 L N -0.032 121.184 121.223 -0.011 0.000 1.990 200 L HA -0.280 4.060 4.340 -0.000 0.000 0.213 200 L C 2.201 178.940 176.870 -0.219 0.000 1.072 200 L CA 2.129 56.840 54.840 -0.215 0.000 0.755 200 L CB -1.094 40.790 42.059 -0.291 0.000 0.889 200 L HN 0.193 nan 8.230 nan 0.000 0.432 201 H N -0.985 118.013 119.070 -0.121 0.000 2.541 201 H HA -0.117 4.439 4.556 -0.000 0.000 0.289 201 H C 1.929 177.177 175.328 -0.134 0.000 1.054 201 H CA 0.942 56.913 56.048 -0.128 0.000 1.250 201 H CB 0.193 29.873 29.762 -0.137 0.000 1.369 201 H HN 0.525 nan 8.280 nan 0.000 0.578 202 E N -0.486 119.698 120.200 -0.025 0.000 2.274 202 E HA -0.082 4.268 4.350 -0.000 0.000 0.194 202 E C 1.128 177.671 176.600 -0.095 0.000 0.996 202 E CA 1.250 57.617 56.400 -0.054 0.000 0.840 202 E CB 0.357 30.035 29.700 -0.037 0.000 0.772 202 E HN 0.488 nan 8.360 nan 0.000 0.491 203 T N -1.206 113.228 114.554 -0.200 0.000 2.978 203 T HA 0.292 4.642 4.350 -0.000 0.000 0.248 203 T C 0.539 175.144 174.700 -0.157 0.000 1.018 203 T CA 0.382 62.335 62.100 -0.244 0.000 1.026 203 T CB 1.223 69.718 68.868 -0.621 0.000 1.032 203 T HN 0.344 nan 8.240 nan 0.000 0.485 204 G N 1.356 110.068 108.800 -0.147 0.000 2.712 204 G HA2 -0.083 3.877 3.960 -0.000 0.000 0.683 204 G HA3 -0.083 3.877 3.960 -0.000 0.000 0.683 204 G C -0.442 174.446 174.900 -0.020 0.000 1.320 204 G CA -0.696 44.389 45.100 -0.026 0.000 0.847 204 G HN 0.302 nan 8.290 nan 0.000 0.553 205 S N 0.197 115.943 115.700 0.077 0.000 2.565 205 S HA 0.427 4.897 4.470 -0.000 0.000 0.274 205 S C 0.972 175.719 174.600 0.244 0.000 1.309 205 S CA -0.249 58.065 58.200 0.191 0.000 1.043 205 S CB 1.024 64.307 63.200 0.137 0.000 0.939 205 S HN 0.823 nan 8.310 nan 0.000 0.504 206 N N 1.541 120.507 118.700 0.444 0.000 2.317 206 N HA 0.130 4.870 4.740 -0.000 0.000 0.245 206 N C -0.318 175.216 175.510 0.040 0.000 1.294 206 N CA -0.098 53.101 53.050 0.248 0.000 0.924 206 N CB 0.419 38.976 38.487 0.117 0.000 1.186 206 N HN 0.846 nan 8.380 nan 0.000 0.495 207 N N -1.442 117.218 118.700 -0.066 0.000 2.972 207 N HA 0.429 5.169 4.740 -0.000 0.000 0.262 207 N C -2.627 172.789 175.510 -0.156 0.000 1.478 207 N CA -1.082 51.701 53.050 -0.445 0.000 0.841 207 N CB 1.668 39.924 38.487 -0.384 0.000 1.512 207 N HN 0.119 nan 8.380 nan 0.000 0.548 208 P HA -0.155 nan 4.420 nan 0.000 0.218 208 P C 0.988 178.406 177.300 0.196 0.000 1.148 208 P CA 2.010 65.135 63.100 0.042 0.000 0.822 208 P CB -0.116 31.595 31.700 0.018 0.000 0.784 209 T N -5.566 109.039 114.554 0.085 0.000 3.043 209 T HA 0.222 4.572 4.350 -0.000 0.000 0.263 209 T C 1.768 176.584 174.700 0.194 0.000 1.094 209 T CA 1.007 63.182 62.100 0.126 0.000 1.127 209 T CB -0.910 68.093 68.868 0.225 0.000 0.905 209 T HN 0.238 nan 8.240 nan 0.000 0.490 210 G N 1.539 110.417 108.800 0.131 0.000 2.253 210 G HA2 -0.227 3.733 3.960 -0.000 0.000 0.251 210 G HA3 -0.227 3.733 3.960 -0.000 0.000 0.251 210 G C 0.147 175.090 174.900 0.072 0.000 0.998 210 G CA 0.183 45.335 45.100 0.087 0.000 0.621 210 G HN 0.703 nan 8.290 nan 0.000 0.524 211 I N 2.105 122.744 120.570 0.115 0.000 2.720 211 I HA 0.409 4.579 4.170 -0.000 0.000 0.287 211 I C 1.498 177.646 176.117 0.051 0.000 1.090 211 I CA 0.085 61.436 61.300 0.085 0.000 1.384 211 I CB 1.208 39.273 38.000 0.109 0.000 1.420 211 I HN 0.359 nan 8.210 nan 0.000 0.575 212 S N 2.661 118.384 115.700 0.038 0.000 2.589 212 S HA 0.098 4.568 4.470 -0.000 0.000 0.265 212 S C 0.755 175.371 174.600 0.028 0.000 1.342 212 S CA 0.067 58.286 58.200 0.033 0.000 1.005 212 S CB 1.081 64.299 63.200 0.030 0.000 0.909 212 S HN 0.790 nan 8.310 nan 0.000 0.555 213 S N -0.151 115.563 115.700 0.023 0.000 2.733 213 S HA 0.196 4.666 4.470 -0.000 0.000 0.247 213 S C 0.547 175.157 174.600 0.017 0.000 1.043 213 S CA -0.190 58.018 58.200 0.013 0.000 1.066 213 S CB -0.170 63.026 63.200 -0.007 0.000 1.045 213 S HN 0.684 nan 8.310 nan 0.000 0.586 214 D N 2.665 123.079 120.400 0.023 0.000 2.220 214 D HA -0.104 4.536 4.640 -0.000 0.000 0.198 214 D C 1.738 178.049 176.300 0.018 0.000 1.001 214 D CA 1.012 55.025 54.000 0.022 0.000 0.875 214 D CB -0.499 40.314 40.800 0.021 0.000 0.921 214 D HN 0.351 nan 8.370 nan 0.000 0.454 215 V N 0.199 120.123 119.914 0.016 0.000 3.026 215 V HA -0.163 3.957 4.120 -0.000 0.000 0.265 215 V C 0.594 176.694 176.094 0.010 0.000 1.121 215 V CA 1.406 63.714 62.300 0.013 0.000 1.142 215 V CB -0.333 31.498 31.823 0.014 0.000 0.730 215 V HN 0.160 nan 8.190 nan 0.000 0.503 216 D N -0.454 119.952 120.400 0.009 0.000 3.361 216 D HA 0.123 4.763 4.640 -0.000 0.000 0.246 216 D C -0.208 176.095 176.300 0.004 0.000 1.395 216 D CA -0.311 53.691 54.000 0.003 0.000 0.839 216 D CB 0.234 41.031 40.800 -0.006 0.000 1.469 216 D HN 0.051 nan 8.370 nan 0.000 0.636 217 K N 0.886 121.298 120.400 0.020 0.000 2.087 217 K HA 0.644 4.964 4.320 -0.000 0.000 0.255 217 K C 0.553 177.181 176.600 0.047 0.000 0.988 217 K CA -0.705 55.606 56.287 0.039 0.000 0.915 217 K CB 1.787 34.319 32.500 0.054 0.000 1.043 217 K HN 0.497 nan 8.250 nan 0.000 0.457 218 I N -1.720 118.897 120.570 0.077 0.000 2.892 218 I HA 0.508 4.678 4.170 -0.000 0.000 0.306 218 I C -2.780 173.436 176.117 0.164 0.000 1.078 218 I CA -3.146 58.215 61.300 0.102 0.000 1.032 218 I CB 2.157 40.166 38.000 0.015 0.000 1.229 218 I HN 0.208 nan 8.210 nan 0.000 0.435 219 P HA 0.218 nan 4.420 nan 0.000 0.279 219 P C 0.114 177.536 177.300 0.202 0.000 1.239 219 P CA -0.196 63.008 63.100 0.172 0.000 0.789 219 P CB 0.628 32.387 31.700 0.098 0.000 0.933 220 F N 2.415 122.456 119.950 0.153 0.000 2.154 220 F HA -0.267 4.260 4.527 -0.000 0.000 0.301 220 F C 2.391 178.243 175.800 0.088 0.000 1.087 220 F CA 1.827 59.947 58.000 0.202 0.000 1.274 220 F CB -0.615 38.544 39.000 0.265 0.000 1.009 220 F HN 0.496 nan 8.300 nan 0.000 0.485 221 H N 0.187 119.343 119.070 0.144 0.000 2.079 221 H HA -0.275 4.281 4.556 -0.000 0.000 0.202 221 H C -1.250 173.964 175.328 -0.192 0.000 1.107 221 H CA 3.197 59.235 56.048 -0.017 0.000 1.569 221 H CB -1.436 28.383 29.762 0.095 0.000 1.914 221 H HN 0.096 nan 8.280 nan 0.000 0.843 222 P HA 0.090 nan 4.420 nan 0.000 0.267 222 P C -0.121 176.722 177.300 -0.761 0.000 1.289 222 P CA 0.629 63.118 63.100 -1.018 0.000 0.866 222 P CB 0.433 31.578 31.700 -0.926 0.000 1.309 223 Y N -1.875 118.124 120.300 -0.503 0.000 2.439 223 Y HA 0.129 4.679 4.550 -0.000 0.000 0.281 223 Y C 1.609 177.107 175.900 -0.670 0.000 1.145 223 Y CA 0.568 58.299 58.100 -0.616 0.000 1.252 223 Y CB -1.017 36.960 38.460 -0.806 0.000 1.271 223 Y HN -0.203 nan 8.280 nan 0.000 0.516 224 Y N -0.511 119.531 120.300 -0.431 0.000 2.490 224 Y HA 0.083 4.633 4.550 -0.000 0.000 0.281 224 Y C 2.254 177.566 175.900 -0.979 0.000 1.174 224 Y CA 0.161 57.823 58.100 -0.730 0.000 1.295 224 Y CB -0.780 37.145 38.460 -0.891 0.000 1.062 224 Y HN 0.112 nan 8.280 nan 0.000 0.522 225 T N -0.345 113.845 114.554 -0.606 0.000 2.852 225 T HA -0.001 4.349 4.350 -0.000 0.000 0.256 225 T C 1.944 176.605 174.700 -0.064 0.000 1.038 225 T CA 0.917 62.916 62.100 -0.169 0.000 1.141 225 T CB -0.110 68.751 68.868 -0.011 0.000 0.869 225 T HN 0.324 nan 8.240 nan 0.000 0.439 226 I N 0.125 120.623 120.570 -0.120 0.000 3.035 226 I HA 0.137 4.307 4.170 -0.000 0.000 0.271 226 I C 2.221 178.322 176.117 -0.026 0.000 1.190 226 I CA 0.748 62.013 61.300 -0.058 0.000 1.472 226 I CB -0.097 37.858 38.000 -0.076 0.000 1.116 226 I HN 0.144 nan 8.210 nan 0.000 0.443 227 K N 0.513 120.905 120.400 -0.012 0.000 2.504 227 K HA -0.167 4.153 4.320 -0.000 0.000 0.195 227 K C 1.160 177.781 176.600 0.034 0.000 1.036 227 K CA 1.001 57.309 56.287 0.035 0.000 0.984 227 K CB 0.163 32.739 32.500 0.126 0.000 0.788 227 K HN 0.194 nan 8.250 nan 0.000 0.488 228 D N 0.314 120.737 120.400 0.039 0.000 2.216 228 D HA 0.025 4.665 4.640 -0.000 0.000 0.208 228 D C 1.622 177.941 176.300 0.032 0.000 0.960 228 D CA 0.552 54.589 54.000 0.061 0.000 0.861 228 D CB 0.206 41.096 40.800 0.151 0.000 0.985 228 D HN 0.133 nan 8.370 nan 0.000 0.493 229 I N 0.219 120.804 120.570 0.025 0.000 2.090 229 I HA -0.257 3.913 4.170 -0.000 0.000 0.236 229 I C 2.253 178.369 176.117 -0.001 0.000 1.064 229 I CA 0.610 61.918 61.300 0.013 0.000 1.324 229 I CB -0.193 37.813 38.000 0.011 0.000 1.044 229 I HN 0.035 nan 8.210 nan 0.000 0.399 230 L N 1.250 122.468 121.223 -0.008 0.000 2.010 230 L HA -0.240 4.100 4.340 -0.000 0.000 0.219 230 L C 2.383 179.237 176.870 -0.026 0.000 1.077 230 L CA 2.473 57.303 54.840 -0.016 0.000 0.773 230 L CB -1.378 40.670 42.059 -0.019 0.000 0.892 230 L HN 0.329 nan 8.230 nan 0.000 0.436 231 G N -1.671 107.107 108.800 -0.037 0.000 2.469 231 G HA2 -0.313 3.647 3.960 -0.000 0.000 0.220 231 G HA3 -0.313 3.647 3.960 -0.000 0.000 0.220 231 G C 1.558 176.431 174.900 -0.045 0.000 1.136 231 G CA 1.067 46.127 45.100 -0.066 0.000 0.759 231 G HN 0.683 nan 8.290 nan 0.000 0.562 232 A N 0.099 122.907 122.820 -0.021 0.000 1.897 232 A HA 0.198 4.518 4.320 -0.000 0.000 0.215 232 A C 2.320 179.900 177.584 -0.006 0.000 1.181 232 A CA 1.484 53.513 52.037 -0.013 0.000 0.620 232 A CB -0.396 18.600 19.000 -0.006 0.000 0.821 232 A HN 0.398 nan 8.150 nan 0.000 0.443 233 L N 0.145 121.365 121.223 -0.005 0.000 2.012 233 L HA -0.161 4.179 4.340 -0.000 0.000 0.210 233 L C 2.289 179.162 176.870 0.005 0.000 1.073 233 L CA 1.791 56.632 54.840 0.001 0.000 0.748 233 L CB -0.578 41.481 42.059 -0.000 0.000 0.891 233 L HN 0.421 nan 8.230 nan 0.000 0.431 234 L N -1.402 119.820 121.223 -0.002 0.000 2.083 234 L HA -0.217 4.123 4.340 -0.000 0.000 0.209 234 L C 2.478 179.360 176.870 0.020 0.000 1.083 234 L CA 1.035 55.877 54.840 0.004 0.000 0.752 234 L CB -0.678 41.373 42.059 -0.014 0.000 0.899 234 L HN 0.347 nan 8.230 nan 0.000 0.433 235 L N -0.452 120.781 121.223 0.017 0.000 2.191 235 L HA -0.192 4.148 4.340 -0.000 0.000 0.212 235 L C 2.255 179.148 176.870 0.039 0.000 1.103 235 L CA 1.515 56.376 54.840 0.035 0.000 0.769 235 L CB -0.227 41.844 42.059 0.022 0.000 0.908 235 L HN 0.090 nan 8.230 nan 0.000 0.438 236 I N -1.331 119.256 120.570 0.029 0.000 2.333 236 I HA -0.147 4.023 4.170 -0.000 0.000 0.246 236 I C 2.251 178.398 176.117 0.050 0.000 1.106 236 I CA 0.792 62.113 61.300 0.035 0.000 1.411 236 I CB -1.142 36.871 38.000 0.022 0.000 1.082 236 I HN 0.269 nan 8.210 nan 0.000 0.420 237 L N 1.447 122.698 121.223 0.046 0.000 1.970 237 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 237 L C 2.627 179.539 176.870 0.070 0.000 1.071 237 L CA 2.353 57.228 54.840 0.058 0.000 0.751 237 L CB -1.284 40.801 42.059 0.044 0.000 0.889 237 L HN 0.233 nan 8.230 nan 0.000 0.432 238 A N -0.663 122.195 122.820 0.063 0.000 1.859 238 A HA -0.284 4.036 4.320 -0.000 0.000 0.218 238 A C 2.288 179.924 177.584 0.087 0.000 1.209 238 A CA 2.374 54.453 52.037 0.071 0.000 0.639 238 A CB -1.320 17.724 19.000 0.073 0.000 0.835 238 A HN 0.488 nan 8.150 nan 0.000 0.450 239 L N -1.327 119.948 121.223 0.087 0.000 2.012 239 L HA -0.165 4.175 4.340 -0.000 0.000 0.210 239 L C 2.391 179.326 176.870 0.109 0.000 1.073 239 L CA 2.214 57.113 54.840 0.099 0.000 0.748 239 L CB -0.508 41.603 42.059 0.087 0.000 0.891 239 L HN 0.333 nan 8.230 nan 0.000 0.431 240 M N -1.510 118.149 119.600 0.099 0.000 2.229 240 M HA -0.130 4.350 4.480 -0.000 0.000 0.264 240 M C 2.144 178.537 176.300 0.156 0.000 1.063 240 M CA 1.239 56.605 55.300 0.111 0.000 1.114 240 M CB -1.149 31.505 32.600 0.090 0.000 1.387 240 M HN 0.265 nan 8.290 nan 0.000 0.420 241 L N -0.245 121.078 121.223 0.167 0.000 2.017 241 L HA -0.151 4.189 4.340 -0.000 0.000 0.208 241 L C 2.232 179.242 176.870 0.233 0.000 1.073 241 L CA 1.519 56.500 54.840 0.235 0.000 0.745 241 L CB -1.308 40.839 42.059 0.146 0.000 0.894 241 L HN 0.166 nan 8.230 nan 0.000 0.432 242 L N -1.021 120.295 121.223 0.155 0.000 1.932 242 L HA -0.216 4.124 4.340 -0.000 0.000 0.217 242 L C 2.658 179.608 176.870 0.134 0.000 1.077 242 L CA 2.183 57.101 54.840 0.130 0.000 0.765 242 L CB -1.168 40.956 42.059 0.108 0.000 0.888 242 L HN 0.288 nan 8.230 nan 0.000 0.433 243 V N -1.626 118.376 119.914 0.146 0.000 2.392 243 V HA -0.239 3.881 4.120 -0.000 0.000 0.249 243 V C 1.987 178.185 176.094 0.174 0.000 1.059 243 V CA 1.791 64.196 62.300 0.175 0.000 1.051 243 V CB -0.613 31.368 31.823 0.263 0.000 0.658 243 V HN 0.413 nan 8.190 nan 0.000 0.455 244 L N -2.010 119.288 121.223 0.127 0.000 2.591 244 L HA 0.245 4.585 4.340 -0.000 0.000 0.228 244 L C 1.665 178.348 176.870 -0.313 0.000 1.133 244 L CA 0.840 55.666 54.840 -0.023 0.000 0.880 244 L CB -0.055 41.952 42.059 -0.088 0.000 1.033 244 L HN 0.404 nan 8.230 nan 0.000 0.450 245 F N -1.179 118.813 119.950 0.069 0.000 2.360 245 F HA 0.287 4.814 4.527 -0.000 0.000 0.295 245 F C 1.089 176.888 175.800 -0.001 0.000 0.844 245 F CA -0.056 57.963 58.000 0.032 0.000 1.072 245 F CB 0.283 39.300 39.000 0.029 0.000 1.005 245 F HN -0.195 nan 8.300 nan 0.000 0.727 246 A N 0.360 123.286 122.820 0.177 0.000 3.297 246 A HA 0.525 4.845 4.320 -0.000 0.000 0.304 246 A C -2.180 175.402 177.584 -0.003 0.000 0.963 246 A CA -0.840 51.238 52.037 0.068 0.000 0.935 246 A CB -0.494 18.546 19.000 0.067 0.000 1.093 246 A HN 0.028 nan 8.150 nan 0.000 0.480 247 P HA -0.063 nan 4.420 nan 0.000 0.226 247 P C 0.422 177.608 177.300 -0.190 0.000 1.153 247 P CA 1.113 64.081 63.100 -0.219 0.000 0.777 247 P CB 0.372 31.700 31.700 -0.621 0.000 0.794 248 D N -1.813 118.516 120.400 -0.120 0.000 2.398 248 D HA 0.116 4.756 4.640 -0.000 0.000 0.210 248 D C 1.714 178.019 176.300 0.010 0.000 1.094 248 D CA -0.100 53.875 54.000 -0.041 0.000 0.839 248 D CB 0.032 40.783 40.800 -0.081 0.000 0.963 248 D HN 0.092 nan 8.370 nan 0.000 0.506 249 L N 0.441 121.665 121.223 0.002 0.000 2.021 249 L HA -0.164 4.176 4.340 -0.000 0.000 0.215 249 L C 1.869 178.753 176.870 0.023 0.000 1.074 249 L CA 1.319 56.163 54.840 0.007 0.000 0.760 249 L CB 0.022 42.079 42.059 -0.003 0.000 0.889 249 L HN 0.044 nan 8.230 nan 0.000 0.433 250 L N -0.899 120.354 121.223 0.051 0.000 2.629 250 L HA 0.236 4.576 4.340 -0.000 0.000 0.230 250 L C 0.606 177.578 176.870 0.171 0.000 1.151 250 L CA -0.095 54.796 54.840 0.085 0.000 0.924 250 L CB -0.545 41.578 42.059 0.106 0.000 1.137 250 L HN 0.222 nan 8.230 nan 0.000 0.457 251 G N -0.904 107.981 108.800 0.142 0.000 2.544 251 G HA2 0.266 4.226 3.960 -0.000 0.000 0.313 251 G HA3 0.266 4.226 3.960 -0.000 0.000 0.313 251 G C -1.009 173.986 174.900 0.159 0.000 1.316 251 G CA -0.416 44.785 45.100 0.169 0.000 0.944 251 G HN -0.158 nan 8.290 nan 0.000 0.489 252 D N 2.724 123.226 120.400 0.171 0.000 2.472 252 D HA 0.153 4.793 4.640 -0.000 0.000 0.248 252 D C -1.653 174.748 176.300 0.169 0.000 1.174 252 D CA -0.680 53.420 54.000 0.166 0.000 0.883 252 D CB 1.925 42.818 40.800 0.155 0.000 1.149 252 D HN 0.069 nan 8.370 nan 0.000 0.488 253 P HA 0.155 nan 4.420 nan 0.000 0.226 253 P C -0.170 177.206 177.300 0.125 0.000 1.758 253 P CA 0.084 63.227 63.100 0.073 0.000 0.896 253 P CB 0.440 32.111 31.700 -0.048 0.000 1.784 254 D N -0.999 119.498 120.400 0.162 0.000 2.449 254 D HA 0.013 4.653 4.640 -0.000 0.000 0.255 254 D C 1.264 177.683 176.300 0.198 0.000 1.121 254 D CA 0.256 54.329 54.000 0.122 0.000 0.830 254 D CB -0.192 40.592 40.800 -0.028 0.000 1.280 254 D HN -0.116 nan 8.370 nan 0.000 0.522 255 N N -0.704 118.142 118.700 0.244 0.000 2.521 255 N HA -0.065 4.675 4.740 -0.000 0.000 0.188 255 N C 0.688 176.346 175.510 0.247 0.000 1.146 255 N CA 0.586 53.770 53.050 0.223 0.000 0.893 255 N CB -0.048 38.572 38.487 0.221 0.000 0.975 255 N HN 0.121 nan 8.380 nan 0.000 0.451 256 Y N -0.532 119.890 120.300 0.202 0.000 2.511 256 Y HA 0.111 4.661 4.550 -0.000 0.000 0.279 256 Y C 0.515 176.681 175.900 0.442 0.000 1.157 256 Y CA 0.366 58.639 58.100 0.289 0.000 1.300 256 Y CB 0.236 38.811 38.460 0.192 0.000 1.052 256 Y HN -0.011 nan 8.280 nan 0.000 0.529 257 T N -1.033 113.774 114.554 0.422 0.000 2.788 257 T HA 0.415 4.765 4.350 -0.000 0.000 0.296 257 T C -2.792 172.002 174.700 0.156 0.000 1.009 257 T CA -2.798 59.432 62.100 0.216 0.000 0.949 257 T CB 1.625 70.567 68.868 0.124 0.000 0.946 257 T HN -0.249 nan 8.240 nan 0.000 0.453 258 P HA 0.103 nan 4.420 nan 0.000 0.269 258 P C 0.292 177.539 177.300 -0.089 0.000 1.185 258 P CA 0.095 63.134 63.100 -0.103 0.000 0.769 258 P CB 0.182 31.642 31.700 -0.400 0.000 0.809 259 A N 2.376 125.090 122.820 -0.176 0.000 2.507 259 A HA 0.181 4.501 4.320 -0.000 0.000 0.235 259 A C 0.520 177.843 177.584 -0.436 0.000 1.070 259 A CA 0.593 52.340 52.037 -0.484 0.000 0.768 259 A CB -0.350 17.991 19.000 -1.098 0.000 1.011 259 A HN 0.651 nan 8.150 nan 0.000 0.502 260 N N 1.298 119.664 118.700 -0.555 0.000 2.976 260 N HA 0.181 4.921 4.740 -0.000 0.000 0.249 260 N C -2.794 172.481 175.510 -0.391 0.000 1.258 260 N CA -0.644 52.189 53.050 -0.363 0.000 0.864 260 N CB 1.936 40.357 38.487 -0.110 0.000 1.551 260 N HN 0.319 nan 8.380 nan 0.000 0.607 261 P HA 0.097 nan 4.420 nan 0.000 0.245 261 P C 1.048 178.408 177.300 0.101 0.000 1.212 261 P CA 0.244 63.033 63.100 -0.519 0.000 0.774 261 P CB 0.704 32.029 31.700 -0.625 0.000 0.999 262 L N -1.595 119.664 121.223 0.060 0.000 2.357 262 L HA 0.096 4.436 4.340 -0.000 0.000 0.211 262 L C 2.353 179.273 176.870 0.083 0.000 1.075 262 L CA 0.338 55.218 54.840 0.068 0.000 0.830 262 L CB -0.519 41.538 42.059 -0.003 0.000 0.996 262 L HN -0.010 nan 8.230 nan 0.000 0.467 263 N N 0.683 119.449 118.700 0.111 0.000 2.119 263 N HA -0.077 4.663 4.740 -0.000 0.000 0.190 263 N C -0.204 175.224 175.510 -0.136 0.000 1.068 263 N CA 1.720 54.789 53.050 0.033 0.000 0.872 263 N CB 0.039 38.556 38.487 0.052 0.000 1.053 263 N HN 0.134 nan 8.380 nan 0.000 0.447 264 T N 0.681 115.021 114.554 -0.357 0.000 1.004 264 T HA -0.068 4.282 4.350 -0.000 0.000 0.725 264 T C -2.715 171.661 174.700 -0.540 0.000 0.981 264 T CA -0.523 60.884 62.100 -1.155 0.000 3.835 264 T CB -1.219 66.935 68.868 -1.190 0.000 2.176 264 T HN 0.251 nan 8.240 nan 0.000 0.393 265 P HA 0.294 nan 4.420 nan 0.000 0.272 265 P C -1.555 175.663 177.300 -0.136 0.000 1.230 265 P CA -1.431 61.557 63.100 -0.187 0.000 0.788 265 P CB 0.370 31.986 31.700 -0.139 0.000 0.949 266 P HA -0.115 nan 4.420 nan 0.000 0.219 266 P C 1.410 178.757 177.300 0.078 0.000 1.154 266 P CA 1.101 64.201 63.100 -0.001 0.000 0.826 266 P CB -0.280 31.429 31.700 0.015 0.000 0.795 267 H N 1.466 120.528 119.070 -0.013 0.000 2.319 267 H HA -0.107 4.449 4.556 -0.000 0.000 0.299 267 H C 1.153 176.501 175.328 0.033 0.000 1.092 267 H CA 0.910 56.967 56.048 0.016 0.000 1.302 267 H CB -1.272 28.505 29.762 0.025 0.000 1.373 267 H HN -0.034 nan 8.280 nan 0.000 0.497 268 I N 1.699 122.550 120.570 0.469 0.000 2.850 268 I HA -0.343 3.827 4.170 -0.000 0.000 0.126 268 I C 0.075 176.335 176.117 0.238 0.000 0.898 268 I CA 1.169 62.639 61.300 0.283 0.000 2.782 268 I CB -0.427 37.627 38.000 0.091 0.000 0.675 268 I HN 0.530 nan 8.210 nan 0.000 0.351 269 K N 3.377 123.971 120.400 0.323 0.000 2.156 269 K HA 0.735 5.055 4.320 -0.000 0.000 0.250 269 K C -2.776 173.796 176.600 -0.047 0.000 0.955 269 K CA -1.713 54.608 56.287 0.056 0.000 0.855 269 K CB 1.668 34.207 32.500 0.066 0.000 1.101 269 K HN -0.129 nan 8.250 nan 0.000 0.434 270 P HA 0.116 nan 4.420 nan 0.000 0.307 270 P C -1.139 175.994 177.300 -0.279 0.000 1.306 270 P CA -0.500 62.424 63.100 -0.293 0.000 0.742 270 P CB 0.243 31.699 31.700 -0.407 0.000 1.349 271 E N 0.164 120.043 120.200 -0.534 0.000 2.338 271 E HA 0.003 4.353 4.350 -0.000 0.000 0.272 271 E C 1.124 177.319 176.600 -0.674 0.000 1.029 271 E CA -0.428 55.573 56.400 -0.665 0.000 0.872 271 E CB -0.197 28.782 29.700 -1.201 0.000 1.015 271 E HN 0.521 nan 8.360 nan 0.000 0.417 272 W N 3.890 124.960 121.300 -0.383 0.000 2.255 272 W HA -0.383 4.277 4.660 -0.000 0.000 0.318 272 W C 0.775 177.252 176.519 -0.071 0.000 1.277 272 W CA 1.530 58.782 57.345 -0.156 0.000 1.286 272 W CB -1.287 28.147 29.460 -0.043 0.000 1.132 272 W HN 0.780 nan 8.180 nan 0.000 0.504 273 Y N -2.306 117.176 120.300 -1.363 0.000 2.497 273 Y HA 0.319 4.869 4.550 -0.000 0.000 0.345 273 Y C 0.773 176.195 175.900 -0.798 0.000 1.204 273 Y CA -0.014 57.272 58.100 -1.357 0.000 1.265 273 Y CB -1.522 35.544 38.460 -2.323 0.000 1.121 273 Y HN -0.131 nan 8.280 nan 0.000 0.493 274 F N -1.507 118.266 119.950 -0.295 0.000 2.974 274 F HA 0.227 4.754 4.527 -0.000 0.000 0.357 274 F C 1.459 177.129 175.800 -0.217 0.000 1.114 274 F CA -0.517 57.351 58.000 -0.220 0.000 1.099 274 F CB 0.201 39.029 39.000 -0.288 0.000 1.205 274 F HN 0.041 nan 8.300 nan 0.000 0.535 275 L N 0.077 121.341 121.223 0.069 0.000 1.994 275 L HA -0.243 4.097 4.340 -0.000 0.000 0.208 275 L C 2.696 179.597 176.870 0.052 0.000 1.071 275 L CA 2.203 57.117 54.840 0.122 0.000 0.745 275 L CB -0.969 41.197 42.059 0.178 0.000 0.892 275 L HN 0.332 nan 8.230 nan 0.000 0.431 276 F N 0.880 120.854 119.950 0.039 0.000 2.141 276 F HA -0.287 4.239 4.527 -0.000 0.000 0.300 276 F C 2.240 178.003 175.800 -0.061 0.000 1.079 276 F CA 1.415 59.391 58.000 -0.040 0.000 1.264 276 F CB -0.845 38.087 39.000 -0.113 0.000 1.011 276 F HN -0.033 nan 8.300 nan 0.000 0.487 277 A N -0.938 121.116 122.820 -1.276 0.000 2.030 277 A HA -0.019 4.301 4.320 -0.000 0.000 0.215 277 A C 2.041 179.453 177.584 -0.287 0.000 1.164 277 A CA 0.758 52.213 52.037 -0.970 0.000 0.697 277 A CB -1.383 16.964 19.000 -1.089 0.000 0.827 277 A HN 0.595 nan 8.150 nan 0.000 0.457 278 Y N 1.090 121.216 120.300 -0.289 0.000 2.114 278 Y HA -0.093 4.457 4.550 -0.000 0.000 0.284 278 Y C 2.640 178.460 175.900 -0.134 0.000 1.143 278 Y CA 0.960 58.967 58.100 -0.155 0.000 1.135 278 Y CB -0.951 37.445 38.460 -0.108 0.000 0.980 278 Y HN 0.300 nan 8.280 nan 0.000 0.499 279 A N 0.763 123.474 122.820 -0.182 0.000 1.927 279 A HA -0.233 4.087 4.320 -0.000 0.000 0.220 279 A C 2.429 179.903 177.584 -0.183 0.000 1.185 279 A CA 2.235 54.126 52.037 -0.244 0.000 0.639 279 A CB -1.225 17.684 19.000 -0.151 0.000 0.820 279 A HN 0.564 nan 8.150 nan 0.000 0.451 280 I N -0.723 119.766 120.570 -0.134 0.000 2.142 280 I HA -0.248 3.922 4.170 -0.000 0.000 0.240 280 I C 2.574 178.662 176.117 -0.048 0.000 1.078 280 I CA 1.791 63.054 61.300 -0.063 0.000 1.343 280 I CB -0.538 37.436 38.000 -0.042 0.000 1.046 280 I HN 0.532 nan 8.210 nan 0.000 0.405 281 L N 2.034 123.221 121.223 -0.059 0.000 2.046 281 L HA -0.201 4.139 4.340 -0.000 0.000 0.208 281 L C 2.706 179.541 176.870 -0.060 0.000 1.077 281 L CA 1.758 56.578 54.840 -0.033 0.000 0.747 281 L CB -0.552 41.511 42.059 0.006 0.000 0.896 281 L HN 0.186 nan 8.230 nan 0.000 0.432 282 R N -1.288 119.133 120.500 -0.131 0.000 2.276 282 R HA 0.100 4.440 4.340 -0.000 0.000 0.203 282 R C 1.746 177.979 176.300 -0.112 0.000 1.017 282 R CA 0.915 56.931 56.100 -0.140 0.000 1.010 282 R CB -0.780 29.374 30.300 -0.243 0.000 0.900 282 R HN 0.275 nan 8.270 nan 0.000 0.469 283 S N 0.570 116.208 115.700 -0.103 0.000 2.603 283 S HA 0.184 4.654 4.470 -0.000 0.000 0.229 283 S C 0.455 175.029 174.600 -0.042 0.000 0.972 283 S CA 0.321 58.480 58.200 -0.069 0.000 0.935 283 S CB -0.117 63.053 63.200 -0.051 0.000 0.769 283 S HN 0.245 nan 8.310 nan 0.000 0.536 284 I N 2.480 123.025 120.570 -0.042 0.000 2.389 284 I HA 0.277 4.447 4.170 -0.000 0.000 0.288 284 I C -2.597 173.503 176.117 -0.029 0.000 0.999 284 I CA -2.474 58.806 61.300 -0.032 0.000 1.129 284 I CB 2.150 40.131 38.000 -0.032 0.000 1.288 284 I HN -0.194 nan 8.210 nan 0.000 0.444 285 P HA 0.205 nan 4.420 nan 0.000 0.230 285 P C -0.884 176.406 177.300 -0.015 0.000 1.791 285 P CA 0.088 63.177 63.100 -0.018 0.000 1.020 285 P CB -0.172 31.519 31.700 -0.015 0.000 1.977 286 N N 1.179 119.870 118.700 -0.015 0.000 2.929 286 N HA 0.020 4.760 4.740 -0.000 0.000 0.245 286 N C 0.509 176.014 175.510 -0.008 0.000 1.081 286 N CA -0.395 52.648 53.050 -0.012 0.000 1.048 286 N CB 1.583 40.060 38.487 -0.018 0.000 1.629 286 N HN -0.133 nan 8.380 nan 0.000 0.598 287 K N 1.573 121.973 120.400 0.000 0.000 2.001 287 K HA -0.134 4.186 4.320 -0.000 0.000 0.214 287 K C 1.535 178.135 176.600 0.000 0.000 1.050 287 K CA 1.282 57.573 56.287 0.006 0.000 0.934 287 K CB 0.043 32.551 32.500 0.013 0.000 0.718 287 K HN 0.393 nan 8.250 nan 0.000 0.443 288 L N 0.813 122.034 121.223 -0.003 0.000 2.141 288 L HA -0.032 4.308 4.340 -0.000 0.000 0.209 288 L C 2.069 178.928 176.870 -0.019 0.000 1.094 288 L CA 2.014 56.849 54.840 -0.008 0.000 0.763 288 L CB -0.974 41.080 42.059 -0.008 0.000 0.908 288 L HN 0.313 nan 8.230 nan 0.000 0.437 289 G N -1.085 107.701 108.800 -0.023 0.000 2.414 289 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.215 289 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.215 289 G C 1.496 176.377 174.900 -0.032 0.000 1.188 289 G CA 0.523 45.601 45.100 -0.037 0.000 0.783 289 G HN 0.542 nan 8.290 nan 0.000 0.537 290 G N -0.043 108.745 108.800 -0.020 0.000 2.402 290 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.216 290 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.216 290 G C 1.791 176.691 174.900 0.001 0.000 1.162 290 G CA 1.172 46.264 45.100 -0.012 0.000 0.777 290 G HN 0.401 nan 8.290 nan 0.000 0.539 291 V N 0.366 120.282 119.914 0.002 0.000 2.261 291 V HA -0.111 4.009 4.120 -0.000 0.000 0.246 291 V C 2.743 178.849 176.094 0.020 0.000 1.047 291 V CA 1.996 64.301 62.300 0.008 0.000 1.015 291 V CB -0.284 31.539 31.823 0.001 0.000 0.642 291 V HN 0.259 nan 8.190 nan 0.000 0.446 292 L N 0.419 121.648 121.223 0.009 0.000 2.131 292 L HA -0.010 4.330 4.340 -0.000 0.000 0.210 292 L C 2.501 179.393 176.870 0.038 0.000 1.092 292 L CA 2.364 57.213 54.840 0.014 0.000 0.759 292 L CB -1.100 40.944 42.059 -0.026 0.000 0.903 292 L HN 0.403 nan 8.230 nan 0.000 0.435 293 A N -1.332 121.495 122.820 0.011 0.000 1.930 293 A HA -0.131 4.189 4.320 -0.000 0.000 0.215 293 A C 2.214 179.890 177.584 0.153 0.000 1.176 293 A CA 1.340 53.395 52.037 0.030 0.000 0.632 293 A CB -0.714 18.259 19.000 -0.045 0.000 0.819 293 A HN 0.391 nan 8.150 nan 0.000 0.445 294 L N -0.033 121.249 121.223 0.099 0.000 2.012 294 L HA -0.123 4.217 4.340 -0.000 0.000 0.210 294 L C 2.676 179.630 176.870 0.140 0.000 1.073 294 L CA 2.237 57.132 54.840 0.090 0.000 0.748 294 L CB -0.622 41.458 42.059 0.036 0.000 0.891 294 L HN 0.349 nan 8.230 nan 0.000 0.431 295 A N -0.527 122.375 122.820 0.136 0.000 1.849 295 A HA -0.337 3.983 4.320 -0.000 0.000 0.217 295 A C 2.329 180.062 177.584 0.248 0.000 1.202 295 A CA 2.229 54.360 52.037 0.157 0.000 0.629 295 A CB -1.543 17.538 19.000 0.134 0.000 0.834 295 A HN 0.573 nan 8.150 nan 0.000 0.447 296 F N 1.427 121.462 119.950 0.142 0.000 2.307 296 F HA -0.209 4.318 4.527 -0.000 0.000 0.301 296 F C 2.712 178.800 175.800 0.481 0.000 1.076 296 F CA 1.632 59.770 58.000 0.229 0.000 1.383 296 F CB 0.067 39.128 39.000 0.103 0.000 1.055 296 F HN 0.367 nan 8.300 nan 0.000 0.526 297 S N -0.070 115.963 115.700 0.554 0.000 2.428 297 S HA -0.125 4.345 4.470 -0.000 0.000 0.230 297 S C 1.662 176.421 174.600 0.266 0.000 1.014 297 S CA 1.444 59.932 58.200 0.481 0.000 0.957 297 S CB -0.596 62.784 63.200 0.301 0.000 0.784 297 S HN 0.477 nan 8.310 nan 0.000 0.499 298 I N 0.369 121.059 120.570 0.199 0.000 3.172 298 I HA 0.227 4.397 4.170 -0.000 0.000 0.278 298 I C 1.699 177.848 176.117 0.052 0.000 1.174 298 I CA 0.184 61.572 61.300 0.146 0.000 1.445 298 I CB -0.174 37.930 38.000 0.173 0.000 1.175 298 I HN 0.155 nan 8.210 nan 0.000 0.447 299 L N 1.555 122.806 121.223 0.046 0.000 2.784 299 L HA -0.077 4.263 4.340 -0.000 0.000 0.247 299 L C 2.106 178.919 176.870 -0.096 0.000 1.162 299 L CA 1.037 55.881 54.840 0.007 0.000 0.881 299 L CB -0.265 41.836 42.059 0.070 0.000 1.032 299 L HN 0.412 nan 8.230 nan 0.000 0.446 300 I N -0.706 119.766 120.570 -0.163 0.000 3.228 300 I HA -0.162 4.008 4.170 -0.000 0.000 0.279 300 I C 2.128 178.189 176.117 -0.093 0.000 1.221 300 I CA 0.383 61.523 61.300 -0.267 0.000 1.458 300 I CB 0.321 38.131 38.000 -0.317 0.000 1.105 300 I HN 0.235 nan 8.210 nan 0.000 0.445 301 L N 0.863 122.069 121.223 -0.029 0.000 2.191 301 L HA -0.164 4.176 4.340 -0.000 0.000 0.212 301 L C 2.661 179.665 176.870 0.224 0.000 1.103 301 L CA 1.145 56.032 54.840 0.077 0.000 0.769 301 L CB -0.872 41.134 42.059 -0.087 0.000 0.908 301 L HN 0.273 nan 8.230 nan 0.000 0.438 302 A N -0.412 122.465 122.820 0.096 0.000 2.121 302 A HA -0.072 4.248 4.320 -0.000 0.000 0.218 302 A C 2.180 179.850 177.584 0.144 0.000 1.154 302 A CA 1.085 53.206 52.037 0.140 0.000 0.679 302 A CB -0.256 18.786 19.000 0.070 0.000 0.795 302 A HN 0.410 nan 8.150 nan 0.000 0.458 303 L N -1.089 120.184 121.223 0.083 0.000 2.515 303 L HA 0.130 4.470 4.340 -0.000 0.000 0.223 303 L C 2.047 178.923 176.870 0.011 0.000 1.079 303 L CA 0.179 55.047 54.840 0.047 0.000 0.857 303 L CB -0.249 41.818 42.059 0.013 0.000 1.050 303 L HN 0.348 nan 8.230 nan 0.000 0.476 304 I N 1.442 122.005 120.570 -0.011 0.000 2.091 304 I HA -0.302 3.868 4.170 -0.000 0.000 0.240 304 I C -0.384 175.607 176.117 -0.210 0.000 1.046 304 I CA 2.022 63.211 61.300 -0.185 0.000 1.306 304 I CB -1.572 36.230 38.000 -0.331 0.000 1.018 304 I HN 0.214 nan 8.210 nan 0.000 0.404 305 P HA -0.147 nan 4.420 nan 0.000 0.219 305 P C 1.731 179.059 177.300 0.047 0.000 1.146 305 P CA 1.344 64.461 63.100 0.029 0.000 0.808 305 P CB -0.037 31.664 31.700 0.001 0.000 0.779 306 L N -1.803 119.437 121.223 0.028 0.000 2.552 306 L HA -0.016 4.324 4.340 -0.000 0.000 0.227 306 L C 1.602 178.490 176.870 0.029 0.000 1.146 306 L CA 0.689 55.550 54.840 0.035 0.000 0.858 306 L CB -0.446 41.637 42.059 0.040 0.000 0.969 306 L HN 0.011 nan 8.230 nan 0.000 0.451 307 L N -2.045 119.186 121.223 0.012 0.000 2.728 307 L HA 0.154 4.494 4.340 -0.000 0.000 0.238 307 L C 0.490 177.356 176.870 -0.007 0.000 1.143 307 L CA -0.437 54.396 54.840 -0.013 0.000 0.937 307 L CB -0.316 41.709 42.059 -0.056 0.000 1.225 307 L HN 0.114 nan 8.230 nan 0.000 0.507 308 H N -0.435 118.624 119.070 -0.018 0.000 2.815 308 H HA 0.039 4.594 4.556 -0.000 0.000 0.350 308 H C 0.865 176.175 175.328 -0.030 0.000 1.080 308 H CA 1.217 57.268 56.048 0.004 0.000 1.433 308 H CB 1.158 30.939 29.762 0.033 0.000 1.432 308 H HN -0.115 nan 8.280 nan 0.000 0.592 309 T N 1.428 115.804 114.554 -0.296 0.000 3.154 309 T HA 0.072 4.422 4.350 -0.000 0.000 0.258 309 T C 0.284 174.896 174.700 -0.146 0.000 0.899 309 T CA 0.264 62.278 62.100 -0.143 0.000 0.908 309 T CB -0.029 68.755 68.868 -0.140 0.000 1.260 309 T HN 0.557 nan 8.240 nan 0.000 0.521 310 S N 1.186 116.697 115.700 -0.315 0.000 2.572 310 S HA 0.215 4.685 4.470 -0.000 0.000 0.279 310 S C 1.040 175.610 174.600 -0.050 0.000 1.341 310 S CA -0.090 58.007 58.200 -0.171 0.000 1.043 310 S CB 0.630 63.701 63.200 -0.216 0.000 0.887 310 S HN 0.279 nan 8.310 nan 0.000 0.516 311 K N 1.804 122.147 120.400 -0.095 0.000 2.444 311 K HA 0.113 4.433 4.320 -0.000 0.000 0.193 311 K C 0.176 176.587 176.600 -0.315 0.000 1.024 311 K CA 0.415 56.526 56.287 -0.293 0.000 1.077 311 K CB 0.169 32.313 32.500 -0.593 0.000 0.833 311 K HN 0.634 nan 8.250 nan 0.000 0.517 312 Q N 0.053 119.811 119.800 -0.070 0.000 2.309 312 Q HA 0.234 4.574 4.340 -0.000 0.000 0.264 312 Q C 0.498 176.549 176.000 0.086 0.000 1.008 312 Q CA -0.372 55.446 55.803 0.024 0.000 0.853 312 Q CB 2.361 31.203 28.738 0.174 0.000 1.314 312 Q HN 0.011 nan 8.270 nan 0.000 0.448 313 R N 1.157 121.671 120.500 0.024 0.000 2.055 313 R HA -0.004 4.336 4.340 -0.000 0.000 0.228 313 R C 1.038 177.315 176.300 -0.039 0.000 1.143 313 R CA 1.164 57.224 56.100 -0.067 0.000 0.945 313 R CB 0.023 30.225 30.300 -0.163 0.000 0.841 313 R HN 0.531 nan 8.270 nan 0.000 0.429 314 S N -0.886 114.814 115.700 0.001 0.000 2.655 314 S HA 0.143 4.613 4.470 -0.000 0.000 0.265 314 S C 0.758 175.257 174.600 -0.169 0.000 1.240 314 S CA -0.545 57.634 58.200 -0.034 0.000 0.986 314 S CB 0.923 64.181 63.200 0.096 0.000 0.985 314 S HN 0.371 nan 8.310 nan 0.000 0.562 315 M N 2.200 121.521 119.600 -0.464 0.000 2.419 315 M HA 0.179 4.659 4.480 -0.000 0.000 0.252 315 M C 1.450 177.454 176.300 -0.493 0.000 1.143 315 M CA -0.123 54.801 55.300 -0.627 0.000 0.985 315 M CB -0.014 31.843 32.600 -1.238 0.000 1.489 315 M HN 0.713 nan 8.290 nan 0.000 0.484 316 M N -0.163 119.228 119.600 -0.348 0.000 2.159 316 M HA -0.140 4.340 4.480 -0.000 0.000 0.263 316 M C 0.259 176.261 176.300 -0.496 0.000 1.063 316 M CA 1.947 57.004 55.300 -0.405 0.000 1.110 316 M CB 0.072 32.292 32.600 -0.632 0.000 1.374 316 M HN 0.243 nan 8.290 nan 0.000 0.411 317 F N 0.297 120.258 119.950 0.019 0.000 2.708 317 F HA 0.238 4.765 4.527 -0.000 0.000 0.300 317 F C 0.376 176.177 175.800 0.002 0.000 1.118 317 F CA -0.374 57.643 58.000 0.028 0.000 1.307 317 F CB 0.045 39.075 39.000 0.049 0.000 0.986 317 F HN 0.049 nan 8.300 nan 0.000 0.522 318 R N -0.655 119.877 120.500 0.052 0.000 2.415 318 R HA 0.418 4.758 4.340 -0.000 0.000 0.292 318 R C -2.758 173.532 176.300 -0.017 0.000 1.295 318 R CA -1.609 54.503 56.100 0.019 0.000 1.137 318 R CB 0.770 31.076 30.300 0.010 0.000 1.135 318 R HN -0.088 nan 8.270 nan 0.000 0.560 319 P HA -0.208 nan 4.420 nan 0.000 0.215 319 P C 1.446 178.762 177.300 0.027 0.000 1.157 319 P CA 0.612 63.735 63.100 0.038 0.000 0.874 319 P CB 0.202 31.932 31.700 0.050 0.000 0.790 320 L N -0.437 120.793 121.223 0.012 0.000 2.021 320 L HA -0.190 4.150 4.340 -0.000 0.000 0.215 320 L C 2.232 179.094 176.870 -0.013 0.000 1.074 320 L CA 2.220 57.063 54.840 0.004 0.000 0.760 320 L CB -1.725 40.330 42.059 -0.008 0.000 0.889 320 L HN 0.031 nan 8.230 nan 0.000 0.433 321 S N -1.071 114.597 115.700 -0.054 0.000 2.371 321 S HA -0.157 4.313 4.470 -0.000 0.000 0.224 321 S C 1.766 176.305 174.600 -0.102 0.000 1.029 321 S CA 0.721 58.858 58.200 -0.106 0.000 0.978 321 S CB -0.063 63.030 63.200 -0.178 0.000 0.833 321 S HN 0.478 nan 8.310 nan 0.000 0.466 322 Q N 0.208 119.956 119.800 -0.087 0.000 2.077 322 Q HA -0.181 4.159 4.340 -0.000 0.000 0.206 322 Q C 2.492 178.633 176.000 0.234 0.000 0.989 322 Q CA 1.535 57.351 55.803 0.022 0.000 0.853 322 Q CB -0.585 28.234 28.738 0.136 0.000 0.907 322 Q HN 0.542 nan 8.270 nan 0.000 0.418 323 C N 0.569 119.983 119.300 0.190 0.000 2.432 323 C HA -0.125 4.335 4.460 -0.000 0.000 0.277 323 C C 2.693 177.776 174.990 0.155 0.000 1.249 323 C CA 0.557 59.703 59.018 0.213 0.000 1.725 323 C CB -1.054 26.758 27.740 0.119 0.000 2.028 323 C HN 0.473 nan 8.230 nan 0.000 0.477 324 L N -0.363 120.897 121.223 0.061 0.000 2.093 324 L HA -0.120 4.220 4.340 -0.000 0.000 0.208 324 L C 2.464 179.317 176.870 -0.028 0.000 1.085 324 L CA 1.433 56.277 54.840 0.007 0.000 0.755 324 L CB -0.983 41.056 42.059 -0.033 0.000 0.904 324 L HN 0.302 nan 8.230 nan 0.000 0.435 325 F N 0.799 120.599 119.950 -0.251 0.000 2.043 325 F HA -0.266 4.261 4.527 -0.000 0.000 0.297 325 F C 2.133 177.692 175.800 -0.401 0.000 1.118 325 F CA 1.585 59.318 58.000 -0.446 0.000 1.202 325 F CB -0.798 37.757 39.000 -0.743 0.000 0.965 325 F HN -0.018 nan 8.300 nan 0.000 0.482 326 W N 0.190 121.430 121.300 -0.100 0.000 2.374 326 W HA -0.086 4.574 4.660 -0.000 0.000 0.288 326 W C 2.605 179.019 176.519 -0.174 0.000 1.218 326 W CA 1.223 58.451 57.345 -0.196 0.000 1.245 326 W CB -1.010 28.439 29.460 -0.017 0.000 1.126 326 W HN 0.146 nan 8.180 nan 0.000 0.545 327 A N 0.314 123.174 122.820 0.068 0.000 1.908 327 A HA -0.197 4.123 4.320 -0.000 0.000 0.218 327 A C 1.981 179.534 177.584 -0.052 0.000 1.181 327 A CA 1.430 53.481 52.037 0.022 0.000 0.627 327 A CB -0.980 18.028 19.000 0.013 0.000 0.818 327 A HN 0.352 nan 8.150 nan 0.000 0.445 328 L N -0.364 120.760 121.223 -0.166 0.000 2.046 328 L HA -0.169 4.171 4.340 -0.000 0.000 0.208 328 L C 2.545 179.280 176.870 -0.225 0.000 1.077 328 L CA 1.492 56.198 54.840 -0.223 0.000 0.747 328 L CB -0.319 41.531 42.059 -0.348 0.000 0.896 328 L HN 0.295 nan 8.230 nan 0.000 0.432 329 V N 0.053 119.765 119.914 -0.337 0.000 2.220 329 V HA -0.337 3.783 4.120 -0.000 0.000 0.246 329 V C 2.754 178.818 176.094 -0.050 0.000 1.049 329 V CA 1.934 64.099 62.300 -0.225 0.000 1.003 329 V CB -1.063 30.666 31.823 -0.158 0.000 0.634 329 V HN 0.572 nan 8.190 nan 0.000 0.444 330 A N 0.097 122.927 122.820 0.017 0.000 1.873 330 A HA -0.361 3.959 4.320 -0.000 0.000 0.218 330 A C 2.046 179.659 177.584 0.049 0.000 1.193 330 A CA 2.469 54.530 52.037 0.041 0.000 0.629 330 A CB -1.009 18.020 19.000 0.049 0.000 0.826 330 A HN 0.634 nan 8.150 nan 0.000 0.447 331 D N -0.396 120.032 120.400 0.046 0.000 2.172 331 D HA -0.163 4.477 4.640 -0.000 0.000 0.196 331 D C 1.710 178.063 176.300 0.088 0.000 0.999 331 D CA 1.530 55.578 54.000 0.080 0.000 0.856 331 D CB -0.219 40.631 40.800 0.084 0.000 0.934 331 D HN 0.469 nan 8.370 nan 0.000 0.453 332 L N -0.300 120.947 121.223 0.040 0.000 2.109 332 L HA -0.018 4.322 4.340 -0.000 0.000 0.207 332 L C 2.568 179.475 176.870 0.061 0.000 1.086 332 L CA 0.335 55.178 54.840 0.005 0.000 0.760 332 L CB -0.257 41.718 42.059 -0.140 0.000 0.910 332 L HN 0.165 nan 8.230 nan 0.000 0.437 333 L N -0.782 120.481 121.223 0.065 0.000 2.093 333 L HA -0.197 4.143 4.340 -0.000 0.000 0.208 333 L C 2.538 179.513 176.870 0.174 0.000 1.085 333 L CA 1.316 56.218 54.840 0.103 0.000 0.755 333 L CB -0.179 41.916 42.059 0.061 0.000 0.904 333 L HN 0.264 nan 8.230 nan 0.000 0.435 334 T N 0.167 114.828 114.554 0.179 0.000 2.674 334 T HA -0.201 4.149 4.350 -0.000 0.000 0.265 334 T C 1.905 176.776 174.700 0.285 0.000 1.039 334 T CA 1.337 63.621 62.100 0.307 0.000 1.150 334 T CB -0.242 68.772 68.868 0.242 0.000 0.864 334 T HN 0.217 nan 8.240 nan 0.000 0.427 335 L N 1.024 122.349 121.223 0.171 0.000 2.043 335 L HA -0.205 4.135 4.340 -0.000 0.000 0.212 335 L C 2.936 179.883 176.870 0.129 0.000 1.075 335 L CA 1.869 56.777 54.840 0.114 0.000 0.752 335 L CB -1.127 40.991 42.059 0.099 0.000 0.891 335 L HN 0.496 nan 8.230 nan 0.000 0.432 336 T N -2.703 111.974 114.554 0.206 0.000 2.652 336 T HA -0.298 4.052 4.350 -0.000 0.000 0.267 336 T C 1.317 176.135 174.700 0.195 0.000 1.039 336 T CA 1.373 63.612 62.100 0.231 0.000 1.153 336 T CB -0.922 68.117 68.868 0.286 0.000 0.863 336 T HN 0.558 nan 8.240 nan 0.000 0.428 337 W N 2.323 123.639 121.300 0.027 0.000 2.318 337 W HA -0.137 4.523 4.660 -0.000 0.000 0.313 337 W C 1.703 178.153 176.519 -0.116 0.000 1.221 337 W CA 0.686 58.009 57.345 -0.036 0.000 1.266 337 W CB -0.673 28.764 29.460 -0.037 0.000 1.150 337 W HN 0.073 nan 8.180 nan 0.000 0.496 338 I N 1.505 121.778 120.570 -0.495 0.000 2.226 338 I HA -0.170 4.000 4.170 -0.000 0.000 0.245 338 I C 2.665 178.517 176.117 -0.442 0.000 1.100 338 I CA 1.796 62.671 61.300 -0.708 0.000 1.374 338 I CB -2.113 35.635 38.000 -0.420 0.000 1.057 338 I HN 0.260 nan 8.210 nan 0.000 0.413 339 G N 0.279 108.948 108.800 -0.218 0.000 2.462 339 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.220 339 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.220 339 G C 1.491 176.366 174.900 -0.041 0.000 1.121 339 G CA 0.840 45.876 45.100 -0.107 0.000 0.758 339 G HN 0.527 nan 8.290 nan 0.000 0.559 340 G N -1.085 107.645 108.800 -0.117 0.000 3.448 340 G HA2 0.429 4.389 3.960 -0.000 0.000 0.261 340 G HA3 0.429 4.389 3.960 -0.000 0.000 0.261 340 G C 0.203 174.957 174.900 -0.244 0.000 1.173 340 G CA -0.189 44.847 45.100 -0.108 0.000 0.835 340 G HN 0.252 nan 8.290 nan 0.000 0.534 341 Q N 0.101 119.670 119.800 -0.384 0.000 2.397 341 Q HA 0.369 4.709 4.340 -0.000 0.000 0.275 341 Q C -2.743 173.089 176.000 -0.280 0.000 1.090 341 Q CA -1.836 53.685 55.803 -0.471 0.000 0.809 341 Q CB 2.604 30.658 28.738 -1.140 0.000 1.362 341 Q HN -0.016 nan 8.270 nan 0.000 0.431 342 P HA 0.039 nan 4.420 nan 0.000 0.269 342 P C -0.157 177.143 177.300 -0.000 0.000 1.215 342 P CA -0.274 62.809 63.100 -0.029 0.000 0.780 342 P CB 0.459 32.176 31.700 0.029 0.000 0.898 343 V N 1.746 121.643 119.914 -0.028 0.000 1.935 343 V HA 0.051 4.171 4.120 -0.000 0.000 0.262 343 V C 0.630 176.726 176.094 0.002 0.000 1.726 343 V CA 0.789 63.069 62.300 -0.034 0.000 1.656 343 V CB -2.158 29.631 31.823 -0.058 0.000 1.532 343 V HN 0.546 nan 8.190 nan 0.000 0.509 344 E N -0.290 119.930 120.200 0.034 0.000 2.431 344 E HA 0.402 4.752 4.350 -0.000 0.000 0.240 344 E C 0.522 177.119 176.600 -0.005 0.000 0.867 344 E CA -1.064 55.354 56.400 0.029 0.000 0.888 344 E CB 0.806 30.528 29.700 0.037 0.000 1.739 344 E HN 0.268 nan 8.360 nan 0.000 0.413 345 H N 0.932 119.941 119.070 -0.101 0.000 1.452 345 H HA -0.226 4.330 4.556 -0.000 0.000 0.090 345 H C -1.203 174.018 175.328 -0.178 0.000 0.958 345 H CA 2.862 58.814 56.048 -0.159 0.000 1.901 345 H CB -1.637 28.063 29.762 -0.104 0.000 2.257 345 H HN 0.380 nan 8.280 nan 0.000 0.961 346 P HA -0.110 nan 4.420 nan 0.000 0.214 346 P C 1.578 178.660 177.300 -0.364 0.000 1.162 346 P CA 1.991 64.636 63.100 -0.757 0.000 0.874 346 P CB -0.514 30.869 31.700 -0.528 0.000 0.784 347 Y N -0.099 120.044 120.300 -0.261 0.000 2.221 347 Y HA -0.239 4.311 4.550 -0.000 0.000 0.280 347 Y C 2.452 178.212 175.900 -0.234 0.000 1.225 347 Y CA 0.171 58.102 58.100 -0.283 0.000 1.191 347 Y CB -2.058 36.220 38.460 -0.302 0.000 0.964 347 Y HN -0.016 nan 8.280 nan 0.000 0.530 348 I N -0.954 119.588 120.570 -0.046 0.000 2.094 348 I HA -0.322 3.848 4.170 -0.000 0.000 0.234 348 I C 2.659 178.742 176.117 -0.057 0.000 1.063 348 I CA 2.132 63.397 61.300 -0.058 0.000 1.328 348 I CB -0.931 37.042 38.000 -0.045 0.000 1.058 348 I HN 0.245 nan 8.210 nan 0.000 0.400 349 T N 0.999 115.515 114.554 -0.064 0.000 2.788 349 T HA -0.206 4.144 4.350 -0.000 0.000 0.268 349 T C 1.995 176.681 174.700 -0.023 0.000 1.044 349 T CA 1.608 63.684 62.100 -0.039 0.000 1.139 349 T CB -0.474 68.375 68.868 -0.032 0.000 0.867 349 T HN 0.428 nan 8.240 nan 0.000 0.454 350 I N 0.193 120.745 120.570 -0.030 0.000 2.361 350 I HA 0.050 4.220 4.170 -0.000 0.000 0.251 350 I C 2.403 178.531 176.117 0.017 0.000 1.133 350 I CA 1.854 63.164 61.300 0.018 0.000 1.413 350 I CB -0.898 37.143 38.000 0.068 0.000 1.073 350 I HN 0.391 nan 8.210 nan 0.000 0.424 351 G N 0.208 108.990 108.800 -0.030 0.000 2.402 351 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.216 351 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.216 351 G C 1.516 176.410 174.900 -0.009 0.000 1.162 351 G CA 0.481 45.554 45.100 -0.046 0.000 0.777 351 G HN 0.528 nan 8.290 nan 0.000 0.539 352 Q N -0.374 119.421 119.800 -0.009 0.000 2.234 352 Q HA 0.027 4.367 4.340 -0.000 0.000 0.206 352 Q C 2.506 178.533 176.000 0.044 0.000 0.980 352 Q CA 0.669 56.479 55.803 0.012 0.000 0.869 352 Q CB -0.157 28.583 28.738 0.003 0.000 0.912 352 Q HN 0.452 nan 8.270 nan 0.000 0.436 353 L N -0.560 120.691 121.223 0.047 0.000 2.084 353 L HA -0.062 4.278 4.340 -0.000 0.000 0.202 353 L C 2.517 179.443 176.870 0.094 0.000 1.074 353 L CA 0.640 55.520 54.840 0.068 0.000 0.757 353 L CB -0.684 41.412 42.059 0.061 0.000 0.918 353 L HN 0.183 nan 8.230 nan 0.000 0.444 354 A N 0.136 123.010 122.820 0.091 0.000 1.881 354 A HA -0.295 4.025 4.320 -0.000 0.000 0.219 354 A C 2.466 180.136 177.584 0.143 0.000 1.215 354 A CA 2.522 54.625 52.037 0.109 0.000 0.648 354 A CB -0.965 18.090 19.000 0.092 0.000 0.832 354 A HN 0.407 nan 8.150 nan 0.000 0.455 355 S N -0.715 115.063 115.700 0.130 0.000 2.456 355 S HA -0.228 4.242 4.470 -0.000 0.000 0.232 355 S C 1.928 176.728 174.600 0.333 0.000 1.046 355 S CA 1.886 60.212 58.200 0.210 0.000 1.175 355 S CB -0.995 62.295 63.200 0.151 0.000 1.129 355 S HN 0.410 nan 8.310 nan 0.000 0.420 356 V N 2.229 122.286 119.914 0.237 0.000 2.233 356 V HA -0.256 3.864 4.120 -0.000 0.000 0.252 356 V C 2.309 178.551 176.094 0.246 0.000 1.063 356 V CA 2.253 64.694 62.300 0.235 0.000 1.032 356 V CB -0.910 30.992 31.823 0.132 0.000 0.645 356 V HN 0.412 nan 8.190 nan 0.000 0.446 357 L N -0.788 120.541 121.223 0.177 0.000 1.997 357 L HA -0.272 4.068 4.340 -0.000 0.000 0.216 357 L C 2.263 179.212 176.870 0.131 0.000 1.074 357 L CA 2.584 57.504 54.840 0.132 0.000 0.763 357 L CB -0.875 41.247 42.059 0.105 0.000 0.890 357 L HN 0.483 nan 8.230 nan 0.000 0.434 358 Y N -0.397 119.913 120.300 0.015 0.000 1.993 358 Y HA -0.392 4.158 4.550 -0.000 0.000 0.267 358 Y C 2.244 178.047 175.900 -0.162 0.000 1.155 358 Y CA 2.517 60.543 58.100 -0.123 0.000 1.105 358 Y CB -0.902 37.438 38.460 -0.201 0.000 0.960 358 Y HN 0.226 nan 8.280 nan 0.000 0.486 359 F N -0.573 119.508 119.950 0.218 0.000 2.126 359 F HA -0.243 4.284 4.527 -0.000 0.000 0.299 359 F C 2.317 178.137 175.800 0.034 0.000 1.096 359 F CA 1.602 59.673 58.000 0.118 0.000 1.255 359 F CB -1.039 38.109 39.000 0.247 0.000 0.997 359 F HN 0.186 nan 8.300 nan 0.000 0.479 360 L N -0.693 120.653 121.223 0.206 0.000 2.083 360 L HA -0.175 4.164 4.340 -0.000 0.000 0.209 360 L C 2.148 179.032 176.870 0.024 0.000 1.083 360 L CA 1.234 56.140 54.840 0.109 0.000 0.752 360 L CB -0.637 41.481 42.059 0.099 0.000 0.899 360 L HN 0.099 nan 8.230 nan 0.000 0.433 361 L N -0.275 120.931 121.223 -0.028 0.000 1.961 361 L HA -0.161 4.179 4.340 -0.000 0.000 0.209 361 L C 2.353 179.139 176.870 -0.140 0.000 1.075 361 L CA 1.969 56.757 54.840 -0.086 0.000 0.749 361 L CB -0.807 41.184 42.059 -0.114 0.000 0.890 361 L HN 0.242 nan 8.230 nan 0.000 0.433 362 I N -0.901 119.517 120.570 -0.254 0.000 2.194 362 I HA -0.322 3.848 4.170 -0.000 0.000 0.246 362 I C 2.214 178.246 176.117 -0.143 0.000 1.093 362 I CA 1.203 62.340 61.300 -0.272 0.000 1.355 362 I CB -0.321 37.401 38.000 -0.464 0.000 1.046 362 I HN 0.268 nan 8.210 nan 0.000 0.413 363 L N -1.001 120.191 121.223 -0.052 0.000 2.418 363 L HA 0.013 4.353 4.340 -0.000 0.000 0.218 363 L C 1.661 178.542 176.870 0.018 0.000 1.125 363 L CA 1.069 55.928 54.840 0.030 0.000 0.835 363 L CB 0.428 42.577 42.059 0.151 0.000 0.953 363 L HN 0.013 nan 8.230 nan 0.000 0.454 364 V N -3.005 116.909 119.914 -0.002 0.000 3.151 364 V HA 0.039 4.159 4.120 -0.000 0.000 0.235 364 V C 1.509 177.591 176.094 -0.021 0.000 1.501 364 V CA 0.091 62.390 62.300 -0.001 0.000 1.211 364 V CB 0.631 32.466 31.823 0.021 0.000 1.049 364 V HN 0.020 nan 8.190 nan 0.000 0.455 365 L N -0.312 120.893 121.223 -0.030 0.000 2.023 365 L HA 0.005 4.345 4.340 -0.000 0.000 0.205 365 L C 2.260 179.095 176.870 -0.058 0.000 1.073 365 L CA 2.305 57.123 54.840 -0.037 0.000 0.745 365 L CB -0.761 41.278 42.059 -0.033 0.000 0.900 365 L HN 0.269 nan 8.230 nan 0.000 0.435 366 M N -1.012 118.537 119.600 -0.086 0.000 2.086 366 M HA -0.144 4.336 4.480 -0.000 0.000 0.261 366 M C -0.333 175.899 176.300 -0.114 0.000 1.067 366 M CA 2.031 57.265 55.300 -0.109 0.000 1.116 366 M CB -1.172 31.342 32.600 -0.143 0.000 1.348 366 M HN 0.097 nan 8.290 nan 0.000 0.407 367 P HA -0.109 nan 4.420 nan 0.000 0.214 367 P C 1.286 178.541 177.300 -0.075 0.000 1.163 367 P CA 1.489 64.530 63.100 -0.098 0.000 0.883 367 P CB -0.231 31.428 31.700 -0.068 0.000 0.788 368 T N -0.452 114.071 114.554 -0.051 0.000 2.746 368 T HA -0.126 4.224 4.350 -0.000 0.000 0.267 368 T C 1.908 176.585 174.700 -0.038 0.000 1.039 368 T CA 1.609 63.688 62.100 -0.035 0.000 1.142 368 T CB -1.019 67.836 68.868 -0.022 0.000 0.866 368 T HN 0.041 nan 8.240 nan 0.000 0.444 369 A N 1.309 124.101 122.820 -0.047 0.000 1.940 369 A HA 0.053 4.373 4.320 -0.000 0.000 0.219 369 A C 2.574 180.127 177.584 -0.051 0.000 1.176 369 A CA 1.886 53.898 52.037 -0.043 0.000 0.631 369 A CB -1.239 17.731 19.000 -0.049 0.000 0.814 369 A HN 0.528 nan 8.150 nan 0.000 0.446 370 G N -1.777 106.975 108.800 -0.080 0.000 2.430 370 G HA2 -0.032 3.928 3.960 -0.000 0.000 0.216 370 G HA3 -0.032 3.928 3.960 -0.000 0.000 0.216 370 G C 1.500 176.366 174.900 -0.056 0.000 1.146 370 G CA 1.432 46.475 45.100 -0.095 0.000 0.793 370 G HN 0.424 nan 8.290 nan 0.000 0.537 371 T N 1.212 115.738 114.554 -0.045 0.000 2.857 371 T HA 0.023 4.373 4.350 -0.000 0.000 0.266 371 T C 2.362 177.064 174.700 0.004 0.000 1.048 371 T CA 0.537 62.626 62.100 -0.018 0.000 1.139 371 T CB -0.087 68.770 68.868 -0.019 0.000 0.874 371 T HN 0.220 nan 8.240 nan 0.000 0.455 372 I N 0.991 121.560 120.570 -0.002 0.000 2.226 372 I HA -0.158 4.012 4.170 -0.000 0.000 0.245 372 I C 2.488 178.618 176.117 0.020 0.000 1.100 372 I CA 1.390 62.694 61.300 0.007 0.000 1.374 372 I CB -0.326 37.674 38.000 0.000 0.000 1.057 372 I HN 0.297 nan 8.210 nan 0.000 0.413 373 E N 0.668 120.880 120.200 0.020 0.000 2.267 373 E HA -0.206 4.144 4.350 -0.000 0.000 0.197 373 E C 1.767 178.420 176.600 0.087 0.000 0.998 373 E CA 0.912 57.337 56.400 0.041 0.000 0.830 373 E CB -0.070 29.651 29.700 0.035 0.000 0.751 373 E HN 0.471 nan 8.360 nan 0.000 0.491 374 N N 0.853 119.614 118.700 0.102 0.000 2.109 374 N HA -0.096 4.644 4.740 -0.000 0.000 0.188 374 N C 1.427 177.019 175.510 0.137 0.000 1.034 374 N CA 0.922 54.083 53.050 0.184 0.000 0.846 374 N CB -0.118 38.456 38.487 0.145 0.000 1.010 374 N HN 0.057 nan 8.380 nan 0.000 0.425 375 K N 0.662 121.109 120.400 0.078 0.000 2.211 375 K HA -0.039 4.281 4.320 -0.000 0.000 0.204 375 K C 1.890 178.503 176.600 0.023 0.000 1.047 375 K CA 0.582 56.898 56.287 0.049 0.000 0.935 375 K CB -0.163 32.356 32.500 0.031 0.000 0.728 375 K HN 0.184 nan 8.250 nan 0.000 0.452 376 L N 0.379 121.613 121.223 0.019 0.000 2.240 376 L HA -0.089 4.251 4.340 -0.000 0.000 0.211 376 L C 2.081 178.925 176.870 -0.043 0.000 1.106 376 L CA 0.615 55.450 54.840 -0.007 0.000 0.793 376 L CB -0.024 42.035 42.059 -0.000 0.000 0.927 376 L HN 0.142 nan 8.230 nan 0.000 0.446 377 L N -0.969 120.223 121.223 -0.051 0.000 2.446 377 L HA -0.015 4.325 4.340 -0.000 0.000 0.219 377 L C 0.802 177.519 176.870 -0.255 0.000 1.116 377 L CA 0.427 55.151 54.840 -0.193 0.000 0.844 377 L CB 0.171 42.059 42.059 -0.285 0.000 0.970 377 L HN 0.229 nan 8.230 nan 0.000 0.457 378 K N -2.096 118.244 120.400 -0.099 0.000 3.343 378 K HA -0.156 4.164 4.320 -0.000 0.000 0.280 378 K C -0.474 176.141 176.600 0.026 0.000 1.330 378 K CA 0.042 56.295 56.287 -0.057 0.000 0.824 378 K CB -1.078 31.361 32.500 -0.102 0.000 1.603 378 K HN 0.158 nan 8.250 nan 0.000 0.518 379 W N 0.000 121.292 121.300 -0.014 0.000 2.388 379 W HA 0.000 4.660 4.660 -0.000 0.000 0.303 379 W CA 0.000 57.337 57.345 -0.012 0.000 1.226 379 W CB 0.000 29.452 29.460 -0.013 0.000 1.126 379 W HN 0.000 nan 8.180 nan 0.000 0.535