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 2wxf_1_A DATA FIRST_RESID 109 DATA SEQUENCE VKKLINSQIS LLIGKGLHEF DSLRDPEVND FRTKMRQFCE EAAAHRQQLG DATA SEQUENCE WVEWLQYSFP LQLEPXXXXX XXXXXXXXNR ALLVNVKFEG SEESFTFQVS DATA SEQUENCE TKDMPLALMA CALRKKATVF RQXXXXQPEE YALQVNGRHE YLYGNYPLCH DATA SEQUENCE FQYICSCLHS GLTPHLTMVH SSSILAMRDE QSNXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXLWS LEQPFSIELI EGRKVNAXXX MKLVVQAGLF HGNEMLCKTV DATA SEQUENCE SSSEVNVCSE PVWKQRLEFD ISVCDLPRMA RLCFALYAVV XXXXXXXXXX DATA SEQUENCE XXXXXXDCPI AWANLMLFDY KDQLKTGERC LYMWPSVXXX XXXLLNPAGT DATA SEQUENCE VRGNPNTESA AALVIYLPEV AXXPVYFPAL EKILELXXXX XXXXXXXXXX DATA SEQUENCE XXLREILERX XXXELYEHEK DLVWKMRHEV QEHFPEALAR LLLVTKWNKH DATA SEQUENCE EDVAQMLYLL CSWPELPVLS ALELLDFSFP DCYVGSFAIK SLRKLTDDEL DATA SEQUENCE FQYLLQLVQV LKYESYLDCE LTKFLLGRAL ANRKIGHFLF WHLRSEMHVP DATA SEQUENCE SVALRFGLIM EAYCRGSTHH MKVLMKQGEA LSKLKALNDF VKVSSQKTTK DATA SEQUENCE PQTKEMMHMC MRQETYMEAL SHLQSPLDPS TLLEEVCVEQ CTFMDSKMKP DATA SEQUENCE LWIMYSSEEA GSAGNVGIIF KNGDDLRQDM LTLQMIQLMD VLWKQEGLDL DATA SEQUENCE RMTPYGCLPT GDRTGLIEVV LHSDTIANIQ LNKSNMAATA AFNKDALLNW DATA SEQUENCE LKSKNPGEAL DRAIEEFTLS CAGYCVATYV LGIGDRHSDN IMIRESGQLF DATA SEQUENCE HIDFGHFLGN FXXXXXXXXX RVPFILTYDF VHVIQQGKTN NSEKFERFRG DATA SEQUENCE YCERAYTILR RHGLLFLHLF ALMRAAGLPE LSCSKDIQYL KDSLALGKTE DATA SEQUENCE EEALKHFRVK FNEALRESW 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 109 V HA 0.000 nan 4.120 nan 0.000 0.244 109 V C 0.000 176.100 176.094 0.010 0.000 1.182 109 V CA 0.000 62.304 62.300 0.007 0.000 1.235 109 V CB 0.000 31.826 31.823 0.005 0.000 1.184 110 K N 2.105 122.512 120.400 0.012 0.000 2.103 110 K HA -0.206 4.289 4.320 0.292 0.000 0.207 110 K C 1.807 178.420 176.600 0.022 0.000 1.048 110 K CA 2.634 58.931 56.287 0.017 0.000 0.930 110 K CB -0.229 32.282 32.500 0.018 0.000 0.716 110 K HN 0.380 nan 8.250 nan 0.000 0.444 111 K N 0.255 120.667 120.400 0.019 0.000 2.057 111 K HA -0.108 4.387 4.320 0.292 0.000 0.207 111 K C 1.970 178.582 176.600 0.020 0.000 1.049 111 K CA 1.411 57.710 56.287 0.021 0.000 0.931 111 K CB -0.503 32.006 32.500 0.016 0.000 0.714 111 K HN 0.238 nan 8.250 nan 0.000 0.440 112 L N 0.741 121.973 121.223 0.015 0.000 2.017 112 L HA -0.050 4.465 4.340 0.292 0.000 0.208 112 L C 2.009 178.887 176.870 0.014 0.000 1.073 112 L CA 1.685 56.532 54.840 0.012 0.000 0.745 112 L CB -0.360 41.703 42.059 0.008 0.000 0.894 112 L HN 0.303 nan 8.230 nan 0.000 0.432 113 I N -0.140 120.439 120.570 0.015 0.000 2.226 113 I HA -0.300 4.045 4.170 0.292 0.000 0.245 113 I C 2.109 178.243 176.117 0.027 0.000 1.100 113 I CA 1.163 62.472 61.300 0.016 0.000 1.374 113 I CB -0.549 37.460 38.000 0.014 0.000 1.057 113 I HN 0.387 nan 8.210 nan 0.000 0.413 114 N N 0.653 119.374 118.700 0.035 0.000 2.104 114 N HA -0.175 4.740 4.740 0.292 0.000 0.190 114 N C 2.077 177.614 175.510 0.046 0.000 1.024 114 N CA 1.947 55.027 53.050 0.050 0.000 0.853 114 N CB -0.479 38.041 38.487 0.055 0.000 1.008 114 N HN 0.423 nan 8.380 nan 0.000 0.424 115 S N 0.432 116.154 115.700 0.036 0.000 2.383 115 S HA -0.097 4.548 4.470 0.292 0.000 0.227 115 S C 1.823 176.439 174.600 0.027 0.000 1.026 115 S CA 0.735 58.955 58.200 0.033 0.000 0.981 115 S CB -0.380 62.834 63.200 0.024 0.000 0.818 115 S HN 0.325 nan 8.310 nan 0.000 0.472 116 Q N 0.806 120.618 119.800 0.020 0.000 2.084 116 Q HA 0.056 4.571 4.340 0.292 0.000 0.202 116 Q C 2.252 178.263 176.000 0.018 0.000 0.978 116 Q CA 1.616 57.425 55.803 0.010 0.000 0.844 116 Q CB -0.470 28.266 28.738 -0.003 0.000 0.898 116 Q HN 0.612 nan 8.270 nan 0.000 0.426 117 I N 0.343 120.933 120.570 0.033 0.000 2.179 117 I HA -0.278 4.068 4.170 0.292 0.000 0.242 117 I C 2.286 178.442 176.117 0.064 0.000 1.088 117 I CA 0.908 62.243 61.300 0.058 0.000 1.357 117 I CB -0.296 37.756 38.000 0.086 0.000 1.051 117 I HN 0.099 nan 8.210 nan 0.000 0.409 118 S N 0.983 116.711 115.700 0.046 0.000 2.365 118 S HA -0.229 4.416 4.470 0.292 0.000 0.225 118 S C 1.933 176.548 174.600 0.025 0.000 1.039 118 S CA 1.694 59.905 58.200 0.018 0.000 1.033 118 S CB -0.522 62.689 63.200 0.017 0.000 0.887 118 S HN 0.338 nan 8.310 nan 0.000 0.447 119 L N 1.322 122.564 121.223 0.032 0.000 2.017 119 L HA 0.011 4.526 4.340 0.292 0.000 0.208 119 L C 2.109 179.010 176.870 0.052 0.000 1.073 119 L CA 1.455 56.317 54.840 0.035 0.000 0.745 119 L CB -0.645 41.430 42.059 0.027 0.000 0.894 119 L HN 0.289 nan 8.230 nan 0.000 0.432 120 L N 0.131 121.386 121.223 0.054 0.000 2.017 120 L HA -0.143 4.372 4.340 0.292 0.000 0.208 120 L C 2.263 179.226 176.870 0.155 0.000 1.073 120 L CA 2.261 57.149 54.840 0.079 0.000 0.745 120 L CB -0.648 41.421 42.059 0.016 0.000 0.894 120 L HN 0.512 nan 8.230 nan 0.000 0.432 121 I N -3.640 117.010 120.570 0.132 0.000 3.428 121 I HA 0.306 4.651 4.170 0.292 0.000 0.286 121 I C 1.470 177.621 176.117 0.058 0.000 1.287 121 I CA 0.629 61.995 61.300 0.111 0.000 1.396 121 I CB -0.743 37.343 38.000 0.143 0.000 1.062 121 I HN 0.365 nan 8.210 nan 0.000 0.471 122 G N 1.900 110.732 108.800 0.053 0.000 2.160 122 G HA2 -0.329 3.806 3.960 0.292 0.000 0.251 122 G HA3 -0.329 3.806 3.960 0.292 0.000 0.251 122 G C 0.058 174.956 174.900 -0.003 0.000 1.008 122 G CA 0.559 45.681 45.100 0.037 0.000 0.724 122 G HN 0.649 nan 8.290 nan 0.000 0.514 123 K N -0.297 120.075 120.400 -0.046 0.000 2.535 123 K HA 0.558 5.053 4.320 0.292 0.000 0.251 123 K C 0.519 176.963 176.600 -0.261 0.000 0.942 123 K CA -0.262 55.926 56.287 -0.165 0.000 0.798 123 K CB 1.151 33.533 32.500 -0.198 0.000 1.267 123 K HN 0.518 nan 8.250 nan 0.000 0.434 124 G N 3.886 112.482 108.800 -0.340 0.000 2.361 124 G HA2 0.129 4.264 3.960 0.292 0.000 0.260 124 G HA3 0.129 4.264 3.960 0.292 0.000 0.260 124 G C 0.911 175.421 174.900 -0.650 0.000 1.261 124 G CA -0.385 44.485 45.100 -0.383 0.000 0.897 124 G HN 0.703 nan 8.290 nan 0.000 0.499 125 L N 1.774 122.794 121.223 -0.338 0.000 2.187 125 L HA -0.178 4.337 4.340 0.292 0.000 0.213 125 L C 2.693 179.426 176.870 -0.230 0.000 1.100 125 L CA 1.728 56.407 54.840 -0.269 0.000 0.765 125 L CB -0.530 41.558 42.059 0.048 0.000 0.904 125 L HN 0.936 nan 8.230 nan 0.000 0.437 126 H N -1.123 117.882 119.070 -0.109 0.000 2.456 126 H HA -0.144 4.587 4.556 0.292 0.000 0.296 126 H C 1.814 177.094 175.328 -0.080 0.000 1.079 126 H CA 1.202 57.216 56.048 -0.056 0.000 1.322 126 H CB -0.448 29.287 29.762 -0.045 0.000 1.388 126 H HN 0.367 nan 8.280 nan 0.000 0.538 127 E N 0.103 119.881 120.200 -0.704 0.000 2.153 127 E HA -0.116 4.410 4.350 0.292 0.000 0.194 127 E C 1.211 177.696 176.600 -0.192 0.000 0.988 127 E CA 0.972 57.108 56.400 -0.441 0.000 0.811 127 E CB -0.122 29.232 29.700 -0.578 0.000 0.746 127 E HN 0.469 nan 8.360 nan 0.000 0.466 128 F N 1.729 121.627 119.950 -0.087 0.000 2.113 128 F HA -0.138 4.565 4.527 0.292 0.000 0.297 128 F C 2.034 177.833 175.800 -0.001 0.000 1.103 128 F CA 0.840 58.821 58.000 -0.031 0.000 1.248 128 F CB -0.783 38.213 39.000 -0.006 0.000 0.999 128 F HN -0.069 nan 8.300 nan 0.000 0.475 129 D N 0.100 120.613 120.400 0.189 0.000 2.123 129 D HA -0.166 4.650 4.640 0.292 0.000 0.196 129 D C 2.363 178.722 176.300 0.098 0.000 0.992 129 D CA 1.939 56.019 54.000 0.133 0.000 0.833 129 D CB -0.733 40.139 40.800 0.119 0.000 0.954 129 D HN 0.343 nan 8.370 nan 0.000 0.455 130 S N 0.323 116.072 115.700 0.081 0.000 2.447 130 S HA -0.063 4.582 4.470 0.292 0.000 0.233 130 S C 2.183 176.812 174.600 0.049 0.000 1.006 130 S CA 0.319 58.556 58.200 0.062 0.000 0.957 130 S CB -0.592 62.642 63.200 0.058 0.000 0.773 130 S HN 0.248 nan 8.310 nan 0.000 0.507 131 L N 0.628 121.887 121.223 0.059 0.000 2.275 131 L HA 0.084 4.600 4.340 0.292 0.000 0.215 131 L C 0.948 177.846 176.870 0.047 0.000 1.119 131 L CA 0.392 55.261 54.840 0.047 0.000 0.790 131 L CB -0.619 41.477 42.059 0.061 0.000 0.919 131 L HN 0.262 nan 8.230 nan 0.000 0.443 132 R N 0.547 121.081 120.500 0.057 0.000 3.405 132 R HA -0.202 4.313 4.340 0.292 0.000 0.258 132 R C -0.310 176.023 176.300 0.055 0.000 1.030 132 R CA 0.652 56.785 56.100 0.056 0.000 0.691 132 R CB -2.355 27.974 30.300 0.049 0.000 1.093 132 R HN 0.339 nan 8.270 nan 0.000 0.448 133 D N 0.069 120.499 120.400 0.050 0.000 2.349 133 D HA 0.292 5.107 4.640 0.292 0.000 0.232 133 D C -1.506 174.811 176.300 0.028 0.000 1.071 133 D CA -2.611 51.411 54.000 0.037 0.000 0.832 133 D CB 1.565 42.374 40.800 0.015 0.000 1.086 133 D HN -0.125 nan 8.370 nan 0.000 0.504 134 P HA -0.157 nan 4.420 nan 0.000 0.216 134 P C 1.101 178.386 177.300 -0.025 0.000 1.153 134 P CA 1.052 64.209 63.100 0.095 0.000 0.858 134 P CB 0.379 32.210 31.700 0.218 0.000 0.789 135 E N -0.423 119.599 120.200 -0.296 0.000 2.077 135 E HA -0.138 4.388 4.350 0.292 0.000 0.193 135 E C 1.816 178.251 176.600 -0.274 0.000 0.989 135 E CA 1.063 57.004 56.400 -0.765 0.000 0.800 135 E CB -0.342 28.796 29.700 -0.937 0.000 0.746 135 E HN -0.066 nan 8.360 nan 0.000 0.452 136 V N 1.871 121.697 119.914 -0.147 0.000 2.295 136 V HA -0.268 4.027 4.120 0.292 0.000 0.246 136 V C 2.004 178.106 176.094 0.014 0.000 1.049 136 V CA 1.984 64.240 62.300 -0.074 0.000 1.024 136 V CB -0.690 31.095 31.823 -0.064 0.000 0.648 136 V HN 0.325 nan 8.190 nan 0.000 0.447 137 N N 0.451 119.166 118.700 0.025 0.000 2.104 137 N HA -0.166 4.749 4.740 0.292 0.000 0.190 137 N C 1.540 177.092 175.510 0.070 0.000 1.024 137 N CA 1.709 54.794 53.050 0.059 0.000 0.853 137 N CB -0.549 37.977 38.487 0.066 0.000 1.008 137 N HN 0.475 nan 8.380 nan 0.000 0.424 138 D N -0.031 120.414 120.400 0.075 0.000 2.117 138 D HA -0.105 4.710 4.640 0.292 0.000 0.198 138 D C 1.748 178.095 176.300 0.078 0.000 0.982 138 D CA 0.393 54.449 54.000 0.094 0.000 0.828 138 D CB -0.479 40.423 40.800 0.171 0.000 0.967 138 D HN 0.196 nan 8.370 nan 0.000 0.464 139 F N 2.022 121.941 119.950 -0.051 0.000 2.095 139 F HA -0.205 4.497 4.527 0.292 0.000 0.298 139 F C 2.373 178.147 175.800 -0.043 0.000 1.104 139 F CA 1.616 59.583 58.000 -0.055 0.000 1.232 139 F CB 0.056 38.996 39.000 -0.100 0.000 0.987 139 F HN -0.195 nan 8.300 nan 0.000 0.475 140 R N -0.396 120.189 120.500 0.141 0.000 2.073 140 R HA -0.136 4.380 4.340 0.292 0.000 0.234 140 R C 2.315 178.602 176.300 -0.022 0.000 1.134 140 R CA 2.123 58.260 56.100 0.063 0.000 0.952 140 R CB -1.070 29.277 30.300 0.078 0.000 0.850 140 R HN 0.482 nan 8.270 nan 0.000 0.433 141 T N -0.422 114.130 114.554 -0.003 0.000 2.737 141 T HA -0.133 4.392 4.350 0.292 0.000 0.265 141 T C 1.907 176.587 174.700 -0.035 0.000 1.038 141 T CA 1.181 63.279 62.100 -0.003 0.000 1.144 141 T CB -0.114 68.767 68.868 0.022 0.000 0.866 141 T HN 0.021 nan 8.240 nan 0.000 0.434 142 K N 0.365 120.722 120.400 -0.071 0.000 2.057 142 K HA 0.121 4.616 4.320 0.292 0.000 0.207 142 K C 2.337 178.871 176.600 -0.110 0.000 1.049 142 K CA 1.176 57.413 56.287 -0.084 0.000 0.931 142 K CB -0.344 32.092 32.500 -0.107 0.000 0.714 142 K HN 0.211 nan 8.250 nan 0.000 0.440 143 M N -0.035 119.410 119.600 -0.259 0.000 2.288 143 M HA -0.003 4.652 4.480 0.292 0.000 0.266 143 M C 2.074 178.352 176.300 -0.037 0.000 1.072 143 M CA 1.199 56.359 55.300 -0.234 0.000 1.132 143 M CB -0.649 31.573 32.600 -0.631 0.000 1.386 143 M HN 0.171 nan 8.290 nan 0.000 0.432 144 R N 0.235 120.706 120.500 -0.048 0.000 2.081 144 R HA -0.192 4.324 4.340 0.292 0.000 0.235 144 R C 2.144 178.448 176.300 0.007 0.000 1.131 144 R CA 1.739 57.837 56.100 -0.003 0.000 0.960 144 R CB -0.119 30.183 30.300 0.004 0.000 0.856 144 R HN 0.399 nan 8.270 nan 0.000 0.436 145 Q N -0.610 119.200 119.800 0.016 0.000 2.050 145 Q HA -0.200 4.316 4.340 0.292 0.000 0.202 145 Q C 1.858 177.882 176.000 0.041 0.000 0.980 145 Q CA 1.974 57.791 55.803 0.022 0.000 0.840 145 Q CB -0.217 28.538 28.738 0.028 0.000 0.898 145 Q HN 0.361 nan 8.270 nan 0.000 0.424 146 F N 0.111 120.019 119.950 -0.070 0.000 2.091 146 F HA -0.315 4.387 4.527 0.292 0.000 0.299 146 F C 2.024 177.790 175.800 -0.057 0.000 1.103 146 F CA 1.497 59.459 58.000 -0.064 0.000 1.228 146 F CB -0.492 38.461 39.000 -0.078 0.000 0.984 146 F HN 0.171 nan 8.300 nan 0.000 0.477 147 C N 0.174 119.429 119.300 -0.075 0.000 2.475 147 C HA -0.069 4.566 4.460 0.292 0.000 0.279 147 C C 2.591 177.472 174.990 -0.182 0.000 1.322 147 C CA 0.910 59.827 59.018 -0.169 0.000 1.734 147 C CB -1.100 26.624 27.740 -0.026 0.000 2.005 147 C HN 0.509 nan 8.230 nan 0.000 0.495 148 E N 0.835 120.966 120.200 -0.115 0.000 2.153 148 E HA -0.198 4.327 4.350 0.292 0.000 0.194 148 E C 1.987 178.516 176.600 -0.118 0.000 0.988 148 E CA 1.042 57.383 56.400 -0.099 0.000 0.811 148 E CB -0.127 29.539 29.700 -0.057 0.000 0.746 148 E HN 0.663 nan 8.360 nan 0.000 0.466 149 E N 0.440 120.552 120.200 -0.147 0.000 2.072 149 E HA -0.167 4.358 4.350 0.292 0.000 0.191 149 E C 2.070 178.558 176.600 -0.187 0.000 0.985 149 E CA 0.845 57.155 56.400 -0.150 0.000 0.801 149 E CB -0.074 29.534 29.700 -0.152 0.000 0.750 149 E HN 0.227 nan 8.360 nan 0.000 0.452 150 A N 1.408 124.046 122.820 -0.304 0.000 1.902 150 A HA -0.142 4.353 4.320 0.292 0.000 0.217 150 A C 2.375 179.869 177.584 -0.150 0.000 1.181 150 A CA 1.697 53.571 52.037 -0.271 0.000 0.623 150 A CB -0.628 18.140 19.000 -0.387 0.000 0.818 150 A HN 0.301 nan 8.150 nan 0.000 0.443 151 A N -0.170 122.556 122.820 -0.158 0.000 1.933 151 A HA 0.175 4.670 4.320 0.292 0.000 0.218 151 A C 2.497 180.023 177.584 -0.096 0.000 1.175 151 A CA 2.012 53.969 52.037 -0.134 0.000 0.628 151 A CB -0.982 17.946 19.000 -0.120 0.000 0.814 151 A HN 1.038 nan 8.150 nan 0.000 0.444 152 A N -0.696 122.080 122.820 -0.073 0.000 1.883 152 A HA -0.211 4.284 4.320 0.292 0.000 0.217 152 A C 2.018 179.585 177.584 -0.028 0.000 1.186 152 A CA 2.204 54.212 52.037 -0.050 0.000 0.624 152 A CB -0.998 17.978 19.000 -0.040 0.000 0.822 152 A HN 0.770 nan 8.150 nan 0.000 0.444 153 H N -0.319 118.680 119.070 -0.119 0.000 2.319 153 H HA -0.161 4.570 4.556 0.292 0.000 0.297 153 H C 2.206 177.466 175.328 -0.113 0.000 1.097 153 H CA 2.297 58.279 56.048 -0.110 0.000 1.285 153 H CB -0.178 29.509 29.762 -0.125 0.000 1.368 153 H HN 0.453 nan 8.280 nan 0.000 0.495 154 R N -0.358 120.044 120.500 -0.163 0.000 2.096 154 R HA -0.109 4.407 4.340 0.292 0.000 0.235 154 R C 1.783 177.993 176.300 -0.151 0.000 1.127 154 R CA 1.466 57.418 56.100 -0.247 0.000 0.968 154 R CB 0.121 30.222 30.300 -0.333 0.000 0.861 154 R HN 0.378 nan 8.270 nan 0.000 0.440 155 Q N 0.194 119.916 119.800 -0.130 0.000 2.472 155 Q HA -0.118 4.397 4.340 0.292 0.000 0.208 155 Q C 0.940 176.862 176.000 -0.131 0.000 0.958 155 Q CA 1.039 56.769 55.803 -0.121 0.000 0.932 155 Q CB 0.530 29.201 28.738 -0.111 0.000 1.007 155 Q HN 0.681 nan 8.270 nan 0.000 0.508 156 Q N -1.092 118.623 119.800 -0.142 0.000 2.194 156 Q HA 0.257 4.772 4.340 0.292 0.000 0.214 156 Q C 0.088 176.003 176.000 -0.142 0.000 0.838 156 Q CA -0.203 55.522 55.803 -0.129 0.000 0.972 156 Q CB 0.156 28.829 28.738 -0.108 0.000 1.131 156 Q HN 0.131 nan 8.270 nan 0.000 0.498 157 L N 2.222 123.350 121.223 -0.159 0.000 2.514 157 L HA 0.120 4.635 4.340 0.292 0.000 0.280 157 L C 1.020 177.861 176.870 -0.049 0.000 1.223 157 L CA 0.262 55.027 54.840 -0.125 0.000 0.864 157 L CB 0.212 42.237 42.059 -0.056 0.000 1.118 157 L HN 0.322 nan 8.230 nan 0.000 0.494 158 G N 2.143 110.905 108.800 -0.063 0.000 2.636 158 G HA2 -0.081 4.054 3.960 0.292 0.000 0.246 158 G HA3 -0.081 4.054 3.960 0.292 0.000 0.246 158 G C 0.779 175.675 174.900 -0.007 0.000 1.216 158 G CA -0.239 44.830 45.100 -0.051 0.000 0.854 158 G HN 1.043 nan 8.290 nan 0.000 0.572 159 W N 0.704 121.970 121.300 -0.057 0.000 2.363 159 W HA -0.111 4.724 4.660 0.292 0.000 0.296 159 W C 1.233 177.728 176.519 -0.041 0.000 1.212 159 W CA 1.183 58.498 57.345 -0.050 0.000 1.260 159 W CB -1.099 28.287 29.460 -0.124 0.000 1.131 159 W HN 0.200 nan 8.180 nan 0.000 0.530 160 V N 2.114 121.526 119.914 -0.836 0.000 2.358 160 V HA -0.274 4.021 4.120 0.292 0.000 0.246 160 V C 2.504 178.386 176.094 -0.352 0.000 1.047 160 V CA 2.426 64.252 62.300 -0.790 0.000 1.035 160 V CB -0.872 30.399 31.823 -0.920 0.000 0.658 160 V HN 0.115 nan 8.190 nan 0.000 0.452 161 E N -0.569 119.497 120.200 -0.223 0.000 2.110 161 E HA -0.255 4.271 4.350 0.292 0.000 0.193 161 E C 2.007 178.604 176.600 -0.005 0.000 0.988 161 E CA 1.510 57.855 56.400 -0.092 0.000 0.804 161 E CB -0.244 29.408 29.700 -0.080 0.000 0.745 161 E HN 0.799 nan 8.360 nan 0.000 0.458 162 W N 1.797 123.035 121.300 -0.102 0.000 2.358 162 W HA -0.173 4.662 4.660 0.292 0.000 0.303 162 W C 1.573 178.093 176.519 0.001 0.000 1.208 162 W CA 1.084 58.414 57.345 -0.024 0.000 1.274 162 W CB -0.245 29.203 29.460 -0.022 0.000 1.138 162 W HN 0.070 nan 8.180 nan 0.000 0.515 163 L N 0.759 121.960 121.223 -0.035 0.000 2.046 163 L HA -0.280 4.235 4.340 0.292 0.000 0.208 163 L C 2.790 179.583 176.870 -0.127 0.000 1.077 163 L CA 1.660 56.411 54.840 -0.149 0.000 0.747 163 L CB -0.960 40.819 42.059 -0.467 0.000 0.896 163 L HN 0.036 nan 8.230 nan 0.000 0.432 164 Q N -1.266 118.475 119.800 -0.099 0.000 2.124 164 Q HA -0.258 4.257 4.340 0.292 0.000 0.202 164 Q C 2.034 177.983 176.000 -0.084 0.000 0.977 164 Q CA 1.947 57.769 55.803 0.031 0.000 0.850 164 Q CB -0.209 28.555 28.738 0.044 0.000 0.901 164 Q HN 0.518 nan 8.270 nan 0.000 0.429 165 Y N -0.146 119.969 120.300 -0.308 0.000 2.153 165 Y HA -0.142 4.583 4.550 0.292 0.000 0.289 165 Y C 2.472 178.020 175.900 -0.588 0.000 1.127 165 Y CA 1.714 59.562 58.100 -0.420 0.000 1.131 165 Y CB -0.381 37.775 38.460 -0.507 0.000 0.995 165 Y HN -0.038 nan 8.280 nan 0.000 0.505 166 S N -1.127 113.833 115.700 -1.232 0.000 2.439 166 S HA 0.108 4.754 4.470 0.292 0.000 0.224 166 S C 0.051 173.911 174.600 -1.233 0.000 1.029 166 S CA 0.130 57.384 58.200 -1.577 0.000 0.946 166 S CB -0.339 61.758 63.200 -1.839 0.000 0.797 166 S HN 0.283 nan 8.310 nan 0.000 0.504 167 F N 2.929 122.663 119.950 -0.359 0.000 2.542 167 F HA 0.474 5.176 4.527 0.291 0.000 0.323 167 F C -2.601 173.211 175.800 0.021 0.000 1.411 167 F CA -2.678 55.267 58.000 -0.092 0.000 1.124 167 F CB 0.776 39.827 39.000 0.085 0.000 1.331 167 F HN 0.010 nan 8.300 nan 0.000 0.560 168 P HA -0.020 nan 4.420 nan 0.000 0.266 168 P C 0.210 177.545 177.300 0.059 0.000 1.195 168 P CA 0.079 63.209 63.100 0.049 0.000 0.768 168 P CB 1.062 32.721 31.700 -0.068 0.000 0.838 169 L N 2.684 123.909 121.223 0.003 0.000 2.525 169 L HA -0.042 4.473 4.340 0.292 0.000 0.278 169 L C 1.176 178.003 176.870 -0.071 0.000 1.218 169 L CA 0.647 55.428 54.840 -0.099 0.000 0.878 169 L CB -0.397 41.507 42.059 -0.258 0.000 1.127 169 L HN 0.327 nan 8.230 nan 0.000 0.492 170 Q N 4.917 124.713 119.800 -0.006 0.000 2.466 170 Q HA 0.485 5.000 4.340 0.292 0.000 0.242 170 Q C -0.977 175.006 176.000 -0.028 0.000 1.046 170 Q CA -0.193 55.605 55.803 -0.008 0.000 0.841 170 Q CB 1.320 30.084 28.738 0.044 0.000 1.193 170 Q HN 0.508 nan 8.270 nan 0.000 0.508 171 L N 1.077 122.212 121.223 -0.146 0.000 2.334 171 L HA 0.416 4.931 4.340 0.292 0.000 0.270 171 L C 0.508 177.288 176.870 -0.150 0.000 1.018 171 L CA -1.116 53.575 54.840 -0.248 0.000 0.811 171 L CB 1.370 43.169 42.059 -0.434 0.000 1.271 171 L HN 0.404 nan 8.230 nan 0.000 0.443 172 E N 1.574 121.685 120.200 -0.148 0.000 2.383 172 E HA 0.238 4.763 4.350 0.292 0.000 0.264 172 E C -1.985 174.536 176.600 -0.133 0.000 1.050 172 E CA -1.246 55.092 56.400 -0.103 0.000 0.896 172 E CB 0.524 30.175 29.700 -0.081 0.000 0.982 172 E HN 0.331 nan 8.360 nan 0.000 0.424 188 R N 1.154 121.660 120.500 0.009 0.000 2.628 188 R HA 0.770 5.285 4.340 0.292 0.000 0.288 188 R C -1.309 174.996 176.300 0.008 0.000 0.980 188 R CA -0.317 55.788 56.100 0.007 0.000 0.891 188 R CB 1.652 31.953 30.300 0.003 0.000 1.188 188 R HN 0.338 nan 8.270 nan 0.000 0.450 189 A N 4.814 127.640 122.820 0.010 0.000 2.388 189 A HA 0.513 5.008 4.320 0.292 0.000 0.257 189 A C -0.290 177.301 177.584 0.013 0.000 1.095 189 A CA -0.421 51.625 52.037 0.015 0.000 0.791 189 A CB 0.281 19.292 19.000 0.018 0.000 1.029 189 A HN 0.681 nan 8.150 nan 0.000 0.489 190 L N 0.703 121.938 121.223 0.020 0.000 2.466 190 L HA 0.748 5.263 4.340 0.292 0.000 0.258 190 L C -1.395 175.494 176.870 0.033 0.000 0.973 190 L CA -0.877 53.973 54.840 0.017 0.000 0.826 190 L CB 1.561 43.624 42.059 0.005 0.000 1.372 190 L HN 0.540 nan 8.230 nan 0.000 0.409 191 L N 3.500 124.739 121.223 0.027 0.000 2.305 191 L HA 0.672 5.187 4.340 0.292 0.000 0.281 191 L C -0.677 176.211 176.870 0.029 0.000 1.085 191 L CA -0.706 54.154 54.840 0.033 0.000 0.813 191 L CB 1.691 43.759 42.059 0.016 0.000 1.157 191 L HN 0.481 nan 8.230 nan 0.000 0.436 192 V N 3.045 122.991 119.914 0.054 0.000 2.638 192 V HA 0.297 4.592 4.120 0.292 0.000 0.306 192 V C -0.265 175.833 176.094 0.008 0.000 1.052 192 V CA -0.846 61.478 62.300 0.041 0.000 0.885 192 V CB 2.017 33.895 31.823 0.092 0.000 0.999 192 V HN 0.736 nan 8.190 nan 0.000 0.424 193 N N 3.084 121.687 118.700 -0.163 0.000 2.455 193 N HA 0.562 5.477 4.740 0.292 0.000 0.280 193 N C -1.375 174.075 175.510 -0.099 0.000 1.055 193 N CA -0.080 52.819 53.050 -0.252 0.000 0.961 193 N CB 1.878 39.954 38.487 -0.686 0.000 1.121 193 N HN 0.456 nan 8.380 nan 0.000 0.476 194 V N 3.736 123.678 119.914 0.047 0.000 2.638 194 V HA 0.426 4.721 4.120 0.292 0.000 0.306 194 V C -0.201 175.980 176.094 0.146 0.000 1.052 194 V CA -0.836 61.538 62.300 0.123 0.000 0.885 194 V CB 1.780 33.773 31.823 0.282 0.000 0.999 194 V HN 0.710 nan 8.190 nan 0.000 0.424 195 K N 2.820 123.245 120.400 0.042 0.000 2.378 195 K HA 0.786 5.281 4.320 0.292 0.000 0.244 195 K C -1.469 175.132 176.600 0.002 0.000 1.039 195 K CA -0.798 55.540 56.287 0.085 0.000 0.863 195 K CB 2.186 34.705 32.500 0.031 0.000 1.326 195 K HN 0.301 nan 8.250 nan 0.000 0.460 196 F N 0.715 120.724 119.950 0.097 0.000 2.440 196 F HA 0.199 4.901 4.527 0.292 0.000 0.328 196 F C 1.915 177.751 175.800 0.061 0.000 1.070 196 F CA -0.498 57.554 58.000 0.087 0.000 1.011 196 F CB 1.806 40.857 39.000 0.084 0.000 1.226 196 F HN 0.878 nan 8.300 nan 0.000 0.491 197 E N 1.290 121.635 120.200 0.241 0.000 2.114 197 E HA -0.201 4.324 4.350 0.292 0.000 0.199 197 E C 2.052 178.720 176.600 0.114 0.000 1.008 197 E CA 1.871 58.356 56.400 0.142 0.000 0.810 197 E CB -0.227 29.555 29.700 0.136 0.000 0.739 197 E HN 0.904 nan 8.360 nan 0.000 0.456 198 G N -0.249 108.624 108.800 0.123 0.000 2.453 198 G HA2 -0.073 4.062 3.960 0.292 0.000 0.215 198 G HA3 -0.073 4.062 3.960 0.292 0.000 0.215 198 G C 0.670 175.612 174.900 0.070 0.000 1.147 198 G CA 0.387 45.533 45.100 0.078 0.000 0.802 198 G HN 0.253 nan 8.290 nan 0.000 0.535 199 S N -0.569 115.185 115.700 0.090 0.000 2.617 199 S HA 0.361 5.007 4.470 0.292 0.000 0.283 199 S C 0.912 175.539 174.600 0.044 0.000 1.189 199 S CA -0.371 57.869 58.200 0.066 0.000 1.036 199 S CB 1.806 65.050 63.200 0.073 0.000 1.014 199 S HN 0.198 nan 8.310 nan 0.000 0.522 200 E N 1.541 121.751 120.200 0.018 0.000 2.299 200 E HA 0.086 4.611 4.350 0.292 0.000 0.193 200 E C -0.031 176.542 176.600 -0.045 0.000 0.998 200 E CA 0.409 56.808 56.400 -0.002 0.000 0.851 200 E CB 0.064 29.764 29.700 -0.001 0.000 0.795 200 E HN 0.688 nan 8.360 nan 0.000 0.492 201 E N 0.888 121.044 120.200 -0.073 0.000 2.413 201 E HA 0.181 4.706 4.350 0.292 0.000 0.263 201 E C -0.278 176.114 176.600 -0.346 0.000 1.015 201 E CA 0.047 56.332 56.400 -0.191 0.000 0.916 201 E CB 0.796 30.390 29.700 -0.177 0.000 0.947 201 E HN 0.079 nan 8.360 nan 0.000 0.440 202 S N 1.722 117.112 115.700 -0.517 0.000 2.618 202 S HA 0.706 5.352 4.470 0.292 0.000 0.277 202 S C -1.150 172.946 174.600 -0.839 0.000 1.138 202 S CA -1.014 56.828 58.200 -0.596 0.000 0.844 202 S CB 0.859 63.921 63.200 -0.230 0.000 1.127 202 S HN 0.322 nan 8.310 nan 0.000 0.474 203 F N 0.190 120.055 119.950 -0.142 0.000 2.529 203 F HA 0.569 5.271 4.527 0.292 0.000 0.320 203 F C 0.123 175.591 175.800 -0.554 0.000 1.118 203 F CA -0.695 57.073 58.000 -0.386 0.000 0.915 203 F CB 2.382 41.064 39.000 -0.530 0.000 1.161 203 F HN 0.518 nan 8.300 nan 0.000 0.445 204 T N 3.591 117.924 114.554 -0.368 0.000 2.743 204 T HA 0.538 5.063 4.350 0.292 0.000 0.292 204 T C -0.838 173.646 174.700 -0.362 0.000 0.972 204 T CA -0.348 61.574 62.100 -0.296 0.000 0.967 204 T CB 0.038 68.814 68.868 -0.154 0.000 0.926 204 T HN 0.189 nan 8.240 nan 0.000 0.459 205 F N 1.762 121.728 119.950 0.027 0.000 2.450 205 F HA 0.428 5.130 4.527 0.292 0.000 0.332 205 F C 0.743 176.545 175.800 0.004 0.000 1.093 205 F CA -1.123 56.887 58.000 0.017 0.000 1.003 205 F CB 1.485 40.489 39.000 0.007 0.000 1.151 205 F HN 0.354 nan 8.300 nan 0.000 0.474 206 Q N 3.330 123.253 119.800 0.205 0.000 2.322 206 Q HA 0.579 5.094 4.340 0.292 0.000 0.256 206 Q C -0.986 175.080 176.000 0.109 0.000 0.960 206 Q CA -0.501 55.374 55.803 0.120 0.000 0.934 206 Q CB 1.201 29.985 28.738 0.077 0.000 1.200 206 Q HN 0.694 nan 8.270 nan 0.000 0.435 207 V N 0.103 120.062 119.914 0.075 0.000 3.164 207 V HA 0.702 4.998 4.120 0.292 0.000 0.313 207 V C -0.340 175.769 176.094 0.025 0.000 1.188 207 V CA -1.044 61.277 62.300 0.036 0.000 1.058 207 V CB 1.588 33.419 31.823 0.012 0.000 1.110 207 V HN 0.646 nan 8.190 nan 0.000 0.453 208 S N -0.382 115.326 115.700 0.013 0.000 2.654 208 S HA 0.389 5.034 4.470 0.292 0.000 0.283 208 S C 1.310 175.918 174.600 0.014 0.000 1.180 208 S CA 0.236 58.443 58.200 0.012 0.000 1.021 208 S CB 1.372 64.575 63.200 0.006 0.000 1.018 208 S HN 1.290 nan 8.310 nan 0.000 0.532 209 T N 1.153 115.715 114.554 0.013 0.000 2.962 209 T HA -0.100 4.426 4.350 0.292 0.000 0.270 209 T C 1.332 176.038 174.700 0.011 0.000 1.088 209 T CA 1.355 63.465 62.100 0.018 0.000 1.127 209 T CB -0.415 68.462 68.868 0.014 0.000 0.883 209 T HN 0.799 nan 8.240 nan 0.000 0.493 210 K N 0.663 121.062 120.400 -0.002 0.000 2.379 210 K HA 0.132 4.627 4.320 0.292 0.000 0.194 210 K C -0.198 176.389 176.600 -0.021 0.000 1.031 210 K CA -0.143 56.130 56.287 -0.023 0.000 1.037 210 K CB 0.105 32.594 32.500 -0.018 0.000 0.824 210 K HN 0.132 nan 8.250 nan 0.000 0.516 211 D N 2.080 122.478 120.400 -0.002 0.000 2.414 211 D HA 0.029 4.844 4.640 0.292 0.000 0.242 211 D C 0.465 176.781 176.300 0.026 0.000 1.129 211 D CA 0.390 54.391 54.000 0.001 0.000 0.885 211 D CB 0.617 41.414 40.800 -0.006 0.000 1.198 211 D HN 0.045 nan 8.370 nan 0.000 0.437 212 M N 2.652 122.267 119.600 0.025 0.000 2.198 212 M HA 0.101 4.756 4.480 0.292 0.000 0.315 212 M C -1.314 175.029 176.300 0.070 0.000 1.134 212 M CA -1.752 53.589 55.300 0.069 0.000 1.171 212 M CB -0.194 32.432 32.600 0.043 0.000 1.413 212 M HN 0.030 nan 8.290 nan 0.000 0.467 213 P HA -0.118 nan 4.420 nan 0.000 0.216 213 P C 1.653 178.971 177.300 0.029 0.000 1.150 213 P CA 0.920 64.052 63.100 0.054 0.000 0.837 213 P CB 0.048 31.801 31.700 0.089 0.000 0.786 214 L N -0.460 120.795 121.223 0.054 0.000 2.042 214 L HA -0.178 4.337 4.340 0.292 0.000 0.210 214 L C 2.255 179.114 176.870 -0.018 0.000 1.076 214 L CA 2.061 56.923 54.840 0.035 0.000 0.749 214 L CB -1.316 40.773 42.059 0.050 0.000 0.893 214 L HN -0.106 nan 8.230 nan 0.000 0.432 215 A N -0.906 121.896 122.820 -0.030 0.000 1.898 215 A HA -0.200 4.295 4.320 0.292 0.000 0.216 215 A C 2.325 179.825 177.584 -0.139 0.000 1.181 215 A CA 1.869 53.865 52.037 -0.068 0.000 0.620 215 A CB -0.893 18.076 19.000 -0.051 0.000 0.819 215 A HN 0.507 nan 8.150 nan 0.000 0.442 216 L N -0.874 120.265 121.223 -0.139 0.000 2.046 216 L HA -0.174 4.341 4.340 0.292 0.000 0.208 216 L C 2.625 179.317 176.870 -0.297 0.000 1.077 216 L CA 1.716 56.416 54.840 -0.233 0.000 0.747 216 L CB -0.226 41.748 42.059 -0.140 0.000 0.896 216 L HN 0.422 nan 8.230 nan 0.000 0.432 217 M N -0.846 118.644 119.600 -0.185 0.000 2.213 217 M HA -0.167 4.488 4.480 0.292 0.000 0.263 217 M C 2.358 178.542 176.300 -0.193 0.000 1.062 217 M CA 1.455 56.639 55.300 -0.193 0.000 1.105 217 M CB -0.547 31.996 32.600 -0.095 0.000 1.385 217 M HN 0.446 nan 8.290 nan 0.000 0.417 218 A N 0.181 122.907 122.820 -0.156 0.000 1.858 218 A HA -0.181 4.314 4.320 0.292 0.000 0.216 218 A C 2.318 179.783 177.584 -0.200 0.000 1.190 218 A CA 1.819 53.776 52.037 -0.133 0.000 0.617 218 A CB -1.261 17.684 19.000 -0.092 0.000 0.827 218 A HN 0.612 nan 8.150 nan 0.000 0.443 219 C N -0.771 118.327 119.300 -0.337 0.000 2.413 219 C HA 0.039 4.675 4.460 0.292 0.000 0.276 219 C C 3.285 177.982 174.990 -0.488 0.000 1.248 219 C CA 0.657 59.384 59.018 -0.484 0.000 1.742 219 C CB -1.568 25.637 27.740 -0.892 0.000 2.017 219 C HN 0.703 nan 8.230 nan 0.000 0.481 220 A N 0.539 123.026 122.820 -0.555 0.000 1.892 220 A HA -0.167 4.329 4.320 0.292 0.000 0.218 220 A C 2.141 179.730 177.584 0.007 0.000 1.188 220 A CA 1.760 53.715 52.037 -0.136 0.000 0.631 220 A CB -0.689 18.215 19.000 -0.159 0.000 0.822 220 A HN 0.624 nan 8.150 nan 0.000 0.447 221 L N -1.369 119.842 121.223 -0.020 0.000 2.156 221 L HA -0.114 4.401 4.340 0.292 0.000 0.208 221 L C 2.859 179.688 176.870 -0.067 0.000 1.095 221 L CA 0.940 55.789 54.840 0.015 0.000 0.770 221 L CB -0.326 41.722 42.059 -0.018 0.000 0.914 221 L HN 0.347 nan 8.230 nan 0.000 0.439 222 R N -0.422 120.029 120.500 -0.082 0.000 2.075 222 R HA -0.114 4.401 4.340 0.292 0.000 0.232 222 R C 2.270 178.517 176.300 -0.087 0.000 1.126 222 R CA 0.788 56.848 56.100 -0.068 0.000 0.963 222 R CB -0.127 30.139 30.300 -0.055 0.000 0.858 222 R HN 0.152 nan 8.270 nan 0.000 0.435 223 K N 1.154 121.467 120.400 -0.144 0.000 2.057 223 K HA -0.163 4.332 4.320 0.292 0.000 0.207 223 K C 1.925 178.302 176.600 -0.372 0.000 1.049 223 K CA 1.225 57.335 56.287 -0.294 0.000 0.931 223 K CB -0.139 32.037 32.500 -0.540 0.000 0.714 223 K HN 0.094 nan 8.250 nan 0.000 0.440 224 K N 0.435 120.606 120.400 -0.381 0.000 2.057 224 K HA -0.098 4.397 4.320 0.292 0.000 0.207 224 K C 1.950 178.515 176.600 -0.058 0.000 1.049 224 K CA 1.318 57.479 56.287 -0.209 0.000 0.931 224 K CB -0.082 32.142 32.500 -0.460 0.000 0.714 224 K HN 0.071 nan 8.250 nan 0.000 0.440 225 A N 0.694 123.474 122.820 -0.067 0.000 1.969 225 A HA -0.151 4.345 4.320 0.292 0.000 0.218 225 A C 2.173 179.784 177.584 0.045 0.000 1.169 225 A CA 2.152 54.192 52.037 0.006 0.000 0.635 225 A CB -1.054 17.937 19.000 -0.014 0.000 0.810 225 A HN 0.667 nan 8.150 nan 0.000 0.445 226 T N -2.376 112.193 114.554 0.024 0.000 2.698 226 T HA -0.109 4.416 4.350 0.292 0.000 0.260 226 T C 1.703 176.442 174.700 0.066 0.000 1.044 226 T CA 1.636 63.758 62.100 0.037 0.000 1.149 226 T CB -0.995 67.889 68.868 0.026 0.000 0.864 226 T HN 0.101 nan 8.240 nan 0.000 0.419 227 V N 0.275 120.253 119.914 0.106 0.000 2.407 227 V HA 0.015 4.310 4.120 0.292 0.000 0.248 227 V C 2.231 178.406 176.094 0.136 0.000 1.055 227 V CA 1.447 63.831 62.300 0.140 0.000 1.049 227 V CB -0.993 30.976 31.823 0.242 0.000 0.662 227 V HN 0.437 nan 8.190 nan 0.000 0.455 228 F N 0.217 120.167 119.950 0.000 0.000 2.797 228 F HA 0.264 4.966 4.527 0.292 0.000 0.302 228 F C 1.532 177.318 175.800 -0.023 0.000 1.130 228 F CA 0.011 57.998 58.000 -0.021 0.000 1.387 228 F CB 0.091 39.058 39.000 -0.054 0.000 1.107 228 F HN -0.004 nan 8.300 nan 0.000 0.577 229 R N 0.561 121.096 120.500 0.060 0.000 3.963 229 R HA -0.269 4.246 4.340 0.292 0.000 0.394 229 R C 0.417 176.746 176.300 0.048 0.000 1.131 229 R CA 1.042 57.152 56.100 0.016 0.000 1.059 229 R CB -2.091 28.178 30.300 -0.051 0.000 1.614 229 R HN 0.677 nan 8.270 nan 0.000 0.546 236 P HA -0.110 nan 4.420 nan 0.000 0.220 236 P C 0.186 177.642 177.300 0.261 0.000 1.148 236 P CA 1.003 64.211 63.100 0.179 0.000 0.803 236 P CB 0.492 32.237 31.700 0.077 0.000 0.782 237 E N -0.276 120.053 120.200 0.215 0.000 2.409 237 E HA -0.126 4.399 4.350 0.292 0.000 0.198 237 E C 1.501 178.292 176.600 0.318 0.000 1.024 237 E CA 0.641 57.184 56.400 0.237 0.000 0.861 237 E CB -0.582 29.220 29.700 0.170 0.000 0.788 237 E HN 0.348 nan 8.360 nan 0.000 0.521 238 E N -0.482 119.838 120.200 0.201 0.000 2.489 238 E HA 0.022 4.547 4.350 0.292 0.000 0.193 238 E C -0.452 175.800 176.600 -0.580 0.000 1.057 238 E CA 0.272 56.562 56.400 -0.184 0.000 0.866 238 E CB 0.275 29.823 29.700 -0.254 0.000 0.916 238 E HN 0.330 nan 8.360 nan 0.000 0.500 239 Y N -0.556 119.713 120.300 -0.051 0.000 2.570 239 Y HA 0.572 5.297 4.550 0.292 0.000 0.345 239 Y C 0.065 176.062 175.900 0.161 0.000 1.014 239 Y CA -1.052 57.022 58.100 -0.044 0.000 1.063 239 Y CB 1.819 40.295 38.460 0.028 0.000 1.272 239 Y HN -0.188 nan 8.280 nan 0.000 0.477 240 A N 1.427 124.449 122.820 0.336 0.000 2.469 240 A HA 0.833 5.328 4.320 0.292 0.000 0.299 240 A C -1.906 175.855 177.584 0.295 0.000 1.098 240 A CA -0.819 51.439 52.037 0.368 0.000 0.737 240 A CB 1.201 20.442 19.000 0.401 0.000 1.312 240 A HN 0.714 nan 8.150 nan 0.000 0.414 241 L N 1.613 122.968 121.223 0.220 0.000 2.262 241 L HA 0.405 4.920 4.340 0.292 0.000 0.288 241 L C 0.382 177.167 176.870 -0.141 0.000 1.035 241 L CA -0.161 54.689 54.840 0.017 0.000 0.820 241 L CB 1.440 43.466 42.059 -0.056 0.000 1.204 241 L HN 0.849 nan 8.230 nan 0.000 0.424 242 Q N 2.264 121.835 119.800 -0.383 0.000 2.259 242 Q HA 0.346 4.861 4.340 0.292 0.000 0.249 242 Q C -0.847 174.850 176.000 -0.505 0.000 0.914 242 Q CA -0.708 54.576 55.803 -0.866 0.000 0.904 242 Q CB 1.782 29.974 28.738 -0.909 0.000 1.213 242 Q HN 0.405 nan 8.270 nan 0.000 0.428 243 V N 4.659 124.251 119.914 -0.537 0.000 2.470 243 V HA 0.005 4.300 4.120 0.292 0.000 0.276 243 V C -0.053 175.825 176.094 -0.360 0.000 1.040 243 V CA -0.471 61.525 62.300 -0.508 0.000 1.008 243 V CB 0.531 31.907 31.823 -0.745 0.000 0.990 243 V HN 0.785 nan 8.190 nan 0.000 0.477 244 N N 4.082 122.645 118.700 -0.228 0.000 2.301 244 N HA 0.188 5.103 4.740 0.292 0.000 0.267 244 N C 1.250 176.683 175.510 -0.130 0.000 1.304 244 N CA 1.383 54.356 53.050 -0.128 0.000 0.851 244 N CB 0.389 38.860 38.487 -0.026 0.000 1.070 244 N HN 1.088 nan 8.380 nan 0.000 0.483 245 G N 1.346 110.083 108.800 -0.105 0.000 2.155 245 G HA2 -0.322 3.813 3.960 0.292 0.000 0.257 245 G HA3 -0.322 3.813 3.960 0.292 0.000 0.257 245 G C 0.027 174.857 174.900 -0.116 0.000 0.983 245 G CA 0.179 45.228 45.100 -0.086 0.000 0.676 245 G HN 0.620 nan 8.290 nan 0.000 0.528 246 R N -1.233 119.181 120.500 -0.143 0.000 2.854 246 R HA 0.499 5.014 4.340 0.292 0.000 0.271 246 R C -0.854 175.436 176.300 -0.018 0.000 0.994 246 R CA -1.078 54.947 56.100 -0.124 0.000 0.945 246 R CB 0.902 31.116 30.300 -0.144 0.000 1.194 246 R HN 0.169 nan 8.270 nan 0.000 0.476 247 H N 1.513 120.613 119.070 0.050 0.000 2.799 247 H HA 0.206 4.938 4.556 0.293 0.000 0.225 247 H C -0.605 174.892 175.328 0.283 0.000 1.904 247 H CA 0.052 56.258 56.048 0.263 0.000 1.344 247 H CB -0.253 29.785 29.762 0.460 0.000 1.744 247 H HN 0.458 nan 8.280 nan 0.000 0.542 248 E N 1.333 121.600 120.200 0.111 0.000 2.321 248 E HA 0.323 4.848 4.350 0.292 0.000 0.278 248 E C -1.534 174.978 176.600 -0.146 0.000 0.902 248 E CA -0.690 55.760 56.400 0.084 0.000 0.758 248 E CB 1.604 31.290 29.700 -0.023 0.000 1.213 248 E HN 0.144 nan 8.360 nan 0.000 0.426 249 Y N 2.111 122.395 120.300 -0.027 0.000 2.536 249 Y HA 0.488 5.213 4.550 0.292 0.000 0.347 249 Y C -0.817 175.053 175.900 -0.049 0.000 1.000 249 Y CA -0.902 57.197 58.100 -0.001 0.000 1.051 249 Y CB 1.628 40.188 38.460 0.167 0.000 1.259 249 Y HN 0.426 nan 8.280 nan 0.000 0.468 250 L N 4.318 125.541 121.223 -0.001 0.000 2.298 250 L HA 0.501 5.016 4.340 0.292 0.000 0.284 250 L C -1.097 175.749 176.870 -0.041 0.000 1.013 250 L CA -1.027 53.558 54.840 -0.425 0.000 0.824 250 L CB 0.188 41.847 42.059 -0.668 0.000 1.221 250 L HN 0.621 nan 8.230 nan 0.000 0.418 251 Y N 1.077 121.407 120.300 0.050 0.000 2.713 251 Y HA 0.863 5.588 4.550 0.292 0.000 0.335 251 Y C 0.128 176.293 175.900 0.442 0.000 1.222 251 Y CA -1.142 57.087 58.100 0.215 0.000 1.061 251 Y CB 0.941 39.518 38.460 0.195 0.000 1.314 251 Y HN 0.859 nan 8.280 nan 0.000 0.453 252 G N 1.196 110.309 108.800 0.522 0.000 2.661 252 G HA2 -0.134 4.001 3.960 0.292 0.000 0.685 252 G HA3 -0.134 4.001 3.960 0.292 0.000 0.685 252 G C -1.612 173.423 174.900 0.225 0.000 1.298 252 G CA -0.796 44.552 45.100 0.414 0.000 0.855 252 G HN 0.912 nan 8.290 nan 0.000 0.560 253 N N 0.947 119.555 118.700 -0.153 0.000 2.968 253 N HA 0.437 5.353 4.740 0.292 0.000 0.271 253 N C -1.048 174.095 175.510 -0.612 0.000 1.174 253 N CA 0.476 53.356 53.050 -0.283 0.000 1.096 253 N CB -0.180 38.142 38.487 -0.275 0.000 1.403 253 N HN 0.440 nan 8.380 nan 0.000 0.522 254 Y N 0.184 120.501 120.300 0.029 0.000 2.470 254 Y HA 0.360 5.086 4.550 0.292 0.000 0.341 254 Y C -2.184 173.670 175.900 -0.076 0.000 1.021 254 Y CA -2.353 55.672 58.100 -0.123 0.000 1.025 254 Y CB 2.046 40.268 38.460 -0.397 0.000 1.266 254 Y HN 0.183 nan 8.280 nan 0.000 0.448 255 P HA 0.082 nan 4.420 nan 0.000 0.268 255 P C 0.797 178.143 177.300 0.076 0.000 1.205 255 P CA 0.037 63.069 63.100 -0.112 0.000 0.771 255 P CB 1.188 32.686 31.700 -0.337 0.000 0.858 256 L N 2.539 123.879 121.223 0.195 0.000 2.103 256 L HA -0.269 4.246 4.340 0.292 0.000 0.215 256 L C 2.489 179.536 176.870 0.296 0.000 1.080 256 L CA 2.216 57.248 54.840 0.321 0.000 0.764 256 L CB -1.002 41.148 42.059 0.152 0.000 0.890 256 L HN 0.532 nan 8.230 nan 0.000 0.435 257 C N -3.121 116.269 119.300 0.150 0.000 2.522 257 C HA -0.024 4.612 4.460 0.292 0.000 0.271 257 C C 2.179 177.302 174.990 0.223 0.000 1.425 257 C CA -0.274 58.833 59.018 0.148 0.000 1.751 257 C CB -1.720 26.080 27.740 0.101 0.000 1.775 257 C HN 0.477 nan 8.230 nan 0.000 0.557 258 H N -1.106 117.955 119.070 -0.014 0.000 2.535 258 H HA 0.160 4.891 4.556 0.292 0.000 0.273 258 H C 0.007 175.171 175.328 -0.274 0.000 0.983 258 H CA 0.157 56.106 56.048 -0.165 0.000 1.238 258 H CB -0.000 29.619 29.762 -0.238 0.000 1.412 258 H HN 0.435 nan 8.280 nan 0.000 0.562 259 F N 1.701 121.709 119.950 0.098 0.000 2.467 259 F HA 0.013 4.715 4.527 0.292 0.000 0.362 259 F C 1.560 177.391 175.800 0.053 0.000 1.090 259 F CA -0.056 57.965 58.000 0.035 0.000 1.202 259 F CB 0.981 40.014 39.000 0.055 0.000 1.113 259 F HN 0.014 nan 8.300 nan 0.000 0.541 260 Q N 2.032 121.952 119.800 0.200 0.000 2.112 260 Q HA -0.287 4.228 4.340 0.292 0.000 0.206 260 Q C 1.710 177.826 176.000 0.195 0.000 0.987 260 Q CA 2.025 57.920 55.803 0.153 0.000 0.858 260 Q CB -0.343 28.466 28.738 0.118 0.000 0.905 260 Q HN 0.839 nan 8.270 nan 0.000 0.420 261 Y N 0.994 121.368 120.300 0.124 0.000 2.145 261 Y HA -0.239 4.486 4.550 0.292 0.000 0.286 261 Y C 1.870 177.826 175.900 0.095 0.000 1.145 261 Y CA 1.242 59.396 58.100 0.090 0.000 1.148 261 Y CB -0.147 38.343 38.460 0.051 0.000 0.981 261 Y HN 0.027 nan 8.280 nan 0.000 0.507 262 I N -0.606 119.937 120.570 -0.045 0.000 2.179 262 I HA -0.326 4.019 4.170 0.292 0.000 0.242 262 I C 2.911 178.974 176.117 -0.090 0.000 1.088 262 I CA 1.309 62.527 61.300 -0.137 0.000 1.357 262 I CB -1.909 36.130 38.000 0.065 0.000 1.051 262 I HN 0.425 nan 8.210 nan 0.000 0.409 263 C N 0.325 119.637 119.300 0.021 0.000 2.398 263 C HA -0.229 4.406 4.460 0.292 0.000 0.276 263 C C 3.455 178.469 174.990 0.040 0.000 1.222 263 C CA 1.916 60.954 59.018 0.034 0.000 1.746 263 C CB -0.910 26.887 27.740 0.095 0.000 2.039 263 C HN 0.572 nan 8.230 nan 0.000 0.470 264 S N -1.168 114.555 115.700 0.038 0.000 2.359 264 S HA -0.208 4.438 4.470 0.292 0.000 0.224 264 S C 1.920 176.518 174.600 -0.003 0.000 1.035 264 S CA 2.055 60.289 58.200 0.058 0.000 1.018 264 S CB -0.535 62.701 63.200 0.060 0.000 0.876 264 S HN 0.801 nan 8.310 nan 0.000 0.448 265 C N 1.216 120.423 119.300 -0.156 0.000 2.429 265 C HA -0.005 4.630 4.460 0.292 0.000 0.277 265 C C 2.502 177.447 174.990 -0.075 0.000 1.262 265 C CA 0.645 59.571 59.018 -0.153 0.000 1.733 265 C CB -1.646 25.916 27.740 -0.296 0.000 2.010 265 C HN 0.576 nan 8.230 nan 0.000 0.483 266 L N -0.385 120.778 121.223 -0.099 0.000 2.079 266 L HA -0.205 4.310 4.340 0.292 0.000 0.210 266 L C 2.790 179.588 176.870 -0.120 0.000 1.081 266 L CA 1.456 56.221 54.840 -0.125 0.000 0.752 266 L CB -0.816 41.129 42.059 -0.191 0.000 0.896 266 L HN 0.506 nan 8.230 nan 0.000 0.433 267 H N -0.791 118.282 119.070 0.005 0.000 2.372 267 H HA -0.056 4.675 4.556 0.292 0.000 0.301 267 H C 2.615 177.958 175.328 0.024 0.000 1.065 267 H CA 1.750 57.811 56.048 0.022 0.000 1.364 267 H CB -0.062 29.721 29.762 0.034 0.000 1.406 267 H HN 0.380 nan 8.280 nan 0.000 0.521 268 S N -0.928 114.857 115.700 0.141 0.000 2.406 268 S HA 0.061 4.706 4.470 0.292 0.000 0.228 268 S C 1.883 176.512 174.600 0.048 0.000 1.020 268 S CA 1.222 59.474 58.200 0.087 0.000 0.965 268 S CB 0.239 63.483 63.200 0.074 0.000 0.798 268 S HN 0.616 nan 8.310 nan 0.000 0.488 269 G N 0.185 109.003 108.800 0.030 0.000 2.231 269 G HA2 -0.154 3.981 3.960 0.292 0.000 0.206 269 G HA3 -0.154 3.981 3.960 0.292 0.000 0.206 269 G C -0.121 174.786 174.900 0.011 0.000 0.996 269 G CA -0.084 45.025 45.100 0.015 0.000 0.645 269 G HN 0.457 nan 8.290 nan 0.000 0.498 270 L N 2.099 123.331 121.223 0.014 0.000 2.482 270 L HA 0.463 4.978 4.340 0.292 0.000 0.273 270 L C 1.091 177.978 176.870 0.029 0.000 1.228 270 L CA 0.860 55.718 54.840 0.030 0.000 0.827 270 L CB 0.561 42.644 42.059 0.040 0.000 1.099 270 L HN 0.139 nan 8.230 nan 0.000 0.494 271 T N 3.590 118.194 114.554 0.084 0.000 2.749 271 T HA 0.283 4.808 4.350 0.292 0.000 0.295 271 T C -2.325 172.480 174.700 0.175 0.000 0.936 271 T CA -1.024 61.133 62.100 0.094 0.000 1.060 271 T CB 0.765 69.691 68.868 0.096 0.000 0.904 271 T HN 0.328 nan 8.240 nan 0.000 0.500 272 P HA 0.047 nan 4.420 nan 0.000 0.264 272 P C -0.352 177.088 177.300 0.233 0.000 1.193 272 P CA 0.111 63.319 63.100 0.180 0.000 0.763 272 P CB 0.272 32.020 31.700 0.080 0.000 0.810 273 H N 3.164 122.381 119.070 0.244 0.000 2.587 273 H HA 0.408 5.140 4.556 0.293 0.000 0.325 273 H C -0.197 175.154 175.328 0.038 0.000 1.012 273 H CA -0.501 55.612 56.048 0.109 0.000 1.213 273 H CB 0.986 30.790 29.762 0.070 0.000 1.431 273 H HN 0.266 nan 8.280 nan 0.000 0.492 274 L N 2.008 123.264 121.223 0.054 0.000 2.333 274 L HA 0.475 4.991 4.340 0.292 0.000 0.263 274 L C -0.017 176.812 176.870 -0.067 0.000 1.014 274 L CA -0.790 54.029 54.840 -0.035 0.000 0.820 274 L CB 2.476 44.513 42.059 -0.036 0.000 1.352 274 L HN 0.445 nan 8.230 nan 0.000 0.421 275 T N 2.112 116.592 114.554 -0.123 0.000 2.840 275 T HA 0.441 4.966 4.350 0.292 0.000 0.287 275 T C -0.195 174.417 174.700 -0.148 0.000 0.991 275 T CA -0.588 61.438 62.100 -0.123 0.000 0.964 275 T CB 1.361 70.176 68.868 -0.088 0.000 0.954 275 T HN 0.290 nan 8.240 nan 0.000 0.438 276 M N 3.779 123.214 119.600 -0.275 0.000 2.251 276 M HA 0.226 4.882 4.480 0.292 0.000 0.346 276 M C -0.505 175.845 176.300 0.083 0.000 1.499 276 M CA -0.039 55.096 55.300 -0.276 0.000 1.128 276 M CB 0.054 32.029 32.600 -1.041 0.000 1.809 276 M HN 0.281 nan 8.290 nan 0.000 0.464 277 V N 3.985 124.047 119.914 0.246 0.000 2.409 277 V HA 0.214 4.509 4.120 0.292 0.000 0.291 277 V C -0.090 176.088 176.094 0.142 0.000 1.020 277 V CA -0.849 61.591 62.300 0.235 0.000 0.848 277 V CB 1.394 33.357 31.823 0.233 0.000 0.990 277 V HN 0.760 nan 8.190 nan 0.000 0.430 278 H N 3.122 122.105 119.070 -0.144 0.000 2.690 278 H HA 0.156 4.887 4.556 0.292 0.000 0.365 278 H C 1.601 176.552 175.328 -0.627 0.000 1.142 278 H CA 0.719 56.371 56.048 -0.659 0.000 1.417 278 H CB 1.521 30.953 29.762 -0.551 0.000 1.446 278 H HN 0.765 nan 8.280 nan 0.000 0.599 279 S N 1.502 116.267 115.700 -1.559 0.000 2.387 279 S HA -0.273 4.372 4.470 0.292 0.000 0.230 279 S C 2.215 176.331 174.600 -0.807 0.000 1.035 279 S CA 1.357 58.592 58.200 -1.609 0.000 1.014 279 S CB -0.781 60.998 63.200 -2.369 0.000 0.836 279 S HN 0.705 nan 8.310 nan 0.000 0.466 280 S N 1.866 117.274 115.700 -0.486 0.000 2.382 280 S HA -0.119 4.526 4.470 0.292 0.000 0.228 280 S C 2.013 176.521 174.600 -0.153 0.000 1.027 280 S CA 1.273 59.362 58.200 -0.184 0.000 0.991 280 S CB -1.022 62.184 63.200 0.010 0.000 0.823 280 S HN 0.630 nan 8.310 nan 0.000 0.469 281 S N 1.515 117.139 115.700 -0.126 0.000 2.383 281 S HA 0.046 4.691 4.470 0.292 0.000 0.227 281 S C 1.809 176.350 174.600 -0.099 0.000 1.026 281 S CA 0.919 59.073 58.200 -0.077 0.000 0.981 281 S CB -0.665 62.526 63.200 -0.014 0.000 0.818 281 S HN 0.605 nan 8.310 nan 0.000 0.472 282 I N 1.117 121.598 120.570 -0.147 0.000 2.252 282 I HA -0.128 4.217 4.170 0.292 0.000 0.245 282 I C 2.247 178.229 176.117 -0.224 0.000 1.102 282 I CA 1.066 62.308 61.300 -0.096 0.000 1.385 282 I CB -0.326 37.671 38.000 -0.005 0.000 1.064 282 I HN 0.295 nan 8.210 nan 0.000 0.414 283 L N 0.487 121.575 121.223 -0.226 0.000 2.141 283 L HA -0.169 4.346 4.340 0.292 0.000 0.209 283 L C 2.826 179.509 176.870 -0.312 0.000 1.094 283 L CA 1.057 55.734 54.840 -0.271 0.000 0.763 283 L CB -0.668 41.283 42.059 -0.181 0.000 0.908 283 L HN 0.242 nan 8.230 nan 0.000 0.437 284 A N -0.059 122.623 122.820 -0.230 0.000 1.940 284 A HA -0.235 4.260 4.320 0.292 0.000 0.219 284 A C 2.304 179.743 177.584 -0.242 0.000 1.176 284 A CA 1.748 53.669 52.037 -0.193 0.000 0.631 284 A CB -0.410 18.519 19.000 -0.118 0.000 0.814 284 A HN 0.355 nan 8.150 nan 0.000 0.446 285 M N -1.487 117.946 119.600 -0.279 0.000 2.132 285 M HA -0.111 4.544 4.480 0.292 0.000 0.263 285 M C 2.403 178.305 176.300 -0.663 0.000 1.065 285 M CA 1.760 56.886 55.300 -0.291 0.000 1.122 285 M CB -0.372 32.189 32.600 -0.065 0.000 1.365 285 M HN 0.495 nan 8.290 nan 0.000 0.411 286 R N 0.891 120.667 120.500 -1.205 0.000 2.094 286 R HA -0.208 4.308 4.340 0.292 0.000 0.239 286 R C 1.516 177.354 176.300 -0.770 0.000 1.137 286 R CA 2.325 57.449 56.100 -1.628 0.000 0.943 286 R CB -0.315 29.211 30.300 -1.290 0.000 0.850 286 R HN 0.303 nan 8.270 nan 0.000 0.433 287 D N 0.279 120.385 120.400 -0.490 0.000 2.117 287 D HA -0.193 4.622 4.640 0.292 0.000 0.197 287 D C 1.773 177.937 176.300 -0.227 0.000 0.987 287 D CA 1.700 55.524 54.000 -0.293 0.000 0.829 287 D CB -0.359 40.312 40.800 -0.216 0.000 0.961 287 D HN 0.606 nan 8.370 nan 0.000 0.460 288 E N 0.635 120.702 120.200 -0.222 0.000 2.333 288 E HA -0.187 4.338 4.350 0.292 0.000 0.198 288 E C 0.947 177.462 176.600 -0.141 0.000 1.007 288 E CA 0.777 57.095 56.400 -0.137 0.000 0.845 288 E CB -0.230 29.416 29.700 -0.091 0.000 0.766 288 E HN 0.323 nan 8.360 nan 0.000 0.507 289 Q N 1.502 121.144 119.800 -0.263 0.000 2.201 289 Q HA 0.110 4.625 4.340 0.292 0.000 0.217 289 Q C -0.051 175.899 176.000 -0.084 0.000 0.860 289 Q CA -0.080 55.548 55.803 -0.292 0.000 0.984 289 Q CB 1.046 29.496 28.738 -0.479 0.000 1.095 289 Q HN 0.250 nan 8.270 nan 0.000 0.477 290 S N -0.642 115.010 115.700 -0.080 0.000 2.617 290 S HA 0.216 4.861 4.470 0.292 0.000 0.269 290 S C 0.201 174.795 174.600 -0.010 0.000 1.292 290 S CA -0.735 57.433 58.200 -0.053 0.000 1.010 290 S CB 1.292 64.444 63.200 -0.081 0.000 0.944 290 S HN 0.217 nan 8.310 nan 0.000 0.536 317 W N 0.455 121.635 121.300 -0.199 0.000 2.436 317 W HA -0.043 4.792 4.660 0.292 0.000 0.261 317 W C 0.665 177.096 176.519 -0.146 0.000 1.222 317 W CA 1.448 58.633 57.345 -0.267 0.000 1.191 317 W CB -1.158 28.174 29.460 -0.213 0.000 1.132 317 W HN 0.510 nan 8.180 nan 0.000 0.596 318 S N 1.007 116.375 115.700 -0.553 0.000 2.486 318 S HA 0.138 4.783 4.470 0.292 0.000 0.220 318 S C 1.020 175.412 174.600 -0.346 0.000 1.011 318 S CA 0.043 57.842 58.200 -0.670 0.000 0.921 318 S CB -0.134 62.811 63.200 -0.425 0.000 0.785 318 S HN 0.113 nan 8.310 nan 0.000 0.517 319 L N 2.609 123.717 121.223 -0.191 0.000 2.356 319 L HA 0.288 4.803 4.340 0.292 0.000 0.282 319 L C 1.032 177.871 176.870 -0.052 0.000 1.132 319 L CA -0.080 54.706 54.840 -0.089 0.000 0.923 319 L CB 0.219 42.264 42.059 -0.023 0.000 1.278 319 L HN 0.167 nan 8.230 nan 0.000 0.436 320 E N 1.336 121.498 120.200 -0.064 0.000 2.385 320 E HA -0.054 4.472 4.350 0.292 0.000 0.194 320 E C 0.615 177.223 176.600 0.013 0.000 1.013 320 E CA -0.062 56.323 56.400 -0.025 0.000 0.866 320 E CB 0.331 30.001 29.700 -0.050 0.000 0.832 320 E HN 0.634 nan 8.360 nan 0.000 0.500 321 Q N 1.869 121.676 119.800 0.013 0.000 2.386 321 Q HA 0.080 4.595 4.340 0.292 0.000 0.282 321 Q C -2.538 173.503 176.000 0.068 0.000 1.050 321 Q CA -1.646 54.175 55.803 0.029 0.000 0.918 321 Q CB -0.349 28.400 28.738 0.018 0.000 1.266 321 Q HN -0.199 nan 8.270 nan 0.000 0.423 322 P HA 0.031 nan 4.420 nan 0.000 0.267 322 P C -0.624 176.771 177.300 0.158 0.000 1.209 322 P CA -0.227 62.943 63.100 0.118 0.000 0.763 322 P CB 0.011 31.763 31.700 0.085 0.000 0.816 323 F N 3.948 123.955 119.950 0.094 0.000 2.602 323 F HA 0.215 4.917 4.527 0.292 0.000 0.367 323 F C 0.346 176.286 175.800 0.233 0.000 1.126 323 F CA 1.136 59.192 58.000 0.094 0.000 1.321 323 F CB 0.292 39.289 39.000 -0.006 0.000 1.094 323 F HN 0.403 nan 8.300 nan 0.000 0.594 324 S N 6.176 121.394 115.700 -0.804 0.000 2.550 324 S HA 0.791 5.436 4.470 0.292 0.000 0.270 324 S C -0.888 173.378 174.600 -0.557 0.000 1.145 324 S CA -0.703 57.260 58.200 -0.395 0.000 0.852 324 S CB 1.553 64.666 63.200 -0.144 0.000 1.119 324 S HN 0.975 nan 8.310 nan 0.000 0.465 325 I N -1.959 118.525 120.570 -0.143 0.000 3.074 325 I HA 0.762 5.107 4.170 0.292 0.000 0.310 325 I C -0.871 175.282 176.117 0.061 0.000 1.153 325 I CA -0.901 60.391 61.300 -0.013 0.000 0.993 325 I CB 2.131 40.230 38.000 0.165 0.000 1.237 325 I HN 0.789 nan 8.210 nan 0.000 0.443 326 E N 2.659 122.923 120.200 0.107 0.000 2.133 326 E HA 0.388 4.913 4.350 0.292 0.000 0.274 326 E C -1.563 175.093 176.600 0.094 0.000 0.930 326 E CA -0.993 55.459 56.400 0.086 0.000 0.770 326 E CB 1.871 31.609 29.700 0.064 0.000 1.104 326 E HN 0.666 nan 8.360 nan 0.000 0.403 327 L N 6.513 127.772 121.223 0.059 0.000 2.283 327 L HA 0.263 4.778 4.340 0.292 0.000 0.287 327 L C 0.006 176.943 176.870 0.113 0.000 1.073 327 L CA 0.484 55.333 54.840 0.015 0.000 0.822 327 L CB 0.345 42.324 42.059 -0.133 0.000 1.186 327 L HN 0.733 nan 8.230 nan 0.000 0.436 328 I N 3.306 123.945 120.570 0.116 0.000 2.490 328 I HA 0.130 4.475 4.170 0.292 0.000 0.234 328 I C 0.619 176.878 176.117 0.237 0.000 1.066 328 I CA 0.617 62.001 61.300 0.140 0.000 1.405 328 I CB 0.022 38.073 38.000 0.084 0.000 1.191 328 I HN 0.763 nan 8.210 nan 0.000 0.433 329 E N -0.116 120.225 120.200 0.236 0.000 2.439 329 E HA 0.565 5.091 4.350 0.292 0.000 0.279 329 E C -1.122 175.627 176.600 0.248 0.000 1.077 329 E CA -0.930 55.624 56.400 0.256 0.000 0.849 329 E CB 1.713 31.449 29.700 0.059 0.000 1.408 329 E HN 0.141 nan 8.360 nan 0.000 0.457 330 G N -0.002 108.924 108.800 0.211 0.000 2.949 330 G HA2 0.718 4.853 3.960 0.292 0.000 0.285 330 G HA3 0.718 4.853 3.960 0.292 0.000 0.285 330 G C -1.354 173.562 174.900 0.026 0.000 1.395 330 G CA -1.153 44.032 45.100 0.141 0.000 0.901 330 G HN 0.595 nan 8.290 nan 0.000 0.519 331 R N 0.161 120.667 120.500 0.009 0.000 2.810 331 R HA 0.498 5.013 4.340 0.292 0.000 0.280 331 R C -1.188 175.113 176.300 0.001 0.000 1.517 331 R CA -0.974 55.121 56.100 -0.008 0.000 1.063 331 R CB 1.302 31.591 30.300 -0.017 0.000 1.275 331 R HN 0.531 nan 8.270 nan 0.000 0.464 332 K N 0.273 120.679 120.400 0.008 0.000 2.197 332 K HA 0.696 5.192 4.320 0.292 0.000 0.247 332 K C -0.843 175.766 176.600 0.015 0.000 1.077 332 K CA -1.105 55.194 56.287 0.019 0.000 0.882 332 K CB 0.931 33.458 32.500 0.045 0.000 1.396 332 K HN 0.148 nan 8.250 nan 0.000 0.482 333 V N 0.359 120.288 119.914 0.024 0.000 2.488 333 V HA 0.601 4.896 4.120 0.292 0.000 0.293 333 V C -1.168 174.947 176.094 0.033 0.000 1.027 333 V CA -0.475 61.838 62.300 0.022 0.000 0.862 333 V CB 0.578 32.413 31.823 0.020 0.000 1.008 333 V HN 0.854 nan 8.190 nan 0.000 0.428 334 N N 1.803 120.520 118.700 0.029 0.000 3.308 334 N HA 0.847 5.762 4.740 0.292 0.000 0.276 334 N C -0.651 174.876 175.510 0.028 0.000 1.533 334 N CA 0.151 53.224 53.050 0.037 0.000 0.878 334 N CB 1.866 40.384 38.487 0.053 0.000 1.566 334 N HN 0.850 nan 8.380 nan 0.000 0.546 340 K N 0.935 121.356 120.400 0.035 0.000 2.340 340 K HA 0.860 5.355 4.320 0.292 0.000 0.244 340 K C -1.572 175.051 176.600 0.038 0.000 0.973 340 K CA -0.459 55.843 56.287 0.026 0.000 0.828 340 K CB 1.957 34.473 32.500 0.026 0.000 1.226 340 K HN 0.460 nan 8.250 nan 0.000 0.437 341 L N 1.234 122.482 121.223 0.042 0.000 2.322 341 L HA 0.655 5.170 4.340 0.292 0.000 0.279 341 L C -0.836 176.079 176.870 0.075 0.000 1.036 341 L CA -1.067 53.814 54.840 0.068 0.000 0.807 341 L CB 1.608 43.757 42.059 0.150 0.000 1.226 341 L HN 0.214 nan 8.230 nan 0.000 0.433 342 V N 2.815 122.628 119.914 -0.169 0.000 2.789 342 V HA 0.473 4.768 4.120 0.292 0.000 0.311 342 V C -0.516 175.279 176.094 -0.500 0.000 1.073 342 V CA -0.726 61.375 62.300 -0.332 0.000 0.921 342 V CB 2.561 34.041 31.823 -0.571 0.000 1.009 342 V HN 0.375 nan 8.190 nan 0.000 0.426 343 V N 3.595 123.290 119.914 -0.364 0.000 2.357 343 V HA 0.435 4.730 4.120 0.292 0.000 0.284 343 V C -0.147 175.907 176.094 -0.066 0.000 1.018 343 V CA -0.412 61.725 62.300 -0.272 0.000 0.841 343 V CB 1.455 32.989 31.823 -0.482 0.000 0.991 343 V HN 0.941 nan 8.190 nan 0.000 0.437 344 Q N 3.235 123.132 119.800 0.161 0.000 2.256 344 Q HA 0.766 5.281 4.340 0.292 0.000 0.257 344 Q C -0.646 175.470 176.000 0.194 0.000 0.936 344 Q CA -0.528 55.410 55.803 0.224 0.000 0.903 344 Q CB 1.812 30.776 28.738 0.378 0.000 1.263 344 Q HN 0.890 nan 8.270 nan 0.000 0.440 345 A N 2.529 125.416 122.820 0.111 0.000 2.374 345 A HA 0.840 5.336 4.320 0.292 0.000 0.305 345 A C -0.729 176.941 177.584 0.143 0.000 1.053 345 A CA -0.201 51.843 52.037 0.012 0.000 0.726 345 A CB 1.778 20.743 19.000 -0.058 0.000 1.229 345 A HN 0.762 nan 8.150 nan 0.000 0.431 346 G N 0.580 109.464 108.800 0.140 0.000 2.563 346 G HA2 0.589 4.724 3.960 0.292 0.000 0.302 346 G HA3 0.589 4.724 3.960 0.292 0.000 0.302 346 G C -1.238 173.675 174.900 0.021 0.000 1.301 346 G CA -0.626 44.556 45.100 0.136 0.000 0.965 346 G HN 0.671 nan 8.290 nan 0.000 0.480 347 L N 0.935 122.035 121.223 -0.205 0.000 2.282 347 L HA 0.579 5.094 4.340 0.292 0.000 0.288 347 L C -0.940 175.687 176.870 -0.404 0.000 1.033 347 L CA -0.531 54.150 54.840 -0.266 0.000 0.807 347 L CB 1.195 43.042 42.059 -0.352 0.000 1.209 347 L HN 0.367 nan 8.230 nan 0.000 0.423 348 F N 0.679 120.580 119.950 -0.082 0.000 2.577 348 F HA 0.375 5.078 4.527 0.292 0.000 0.318 348 F C -0.145 175.629 175.800 -0.043 0.000 1.065 348 F CA -0.738 57.228 58.000 -0.056 0.000 0.929 348 F CB 1.721 40.690 39.000 -0.052 0.000 1.237 348 F HN 0.367 nan 8.300 nan 0.000 0.468 349 H N 1.075 120.136 119.070 -0.015 0.000 2.953 349 H HA 0.519 5.250 4.556 0.292 0.000 0.290 349 H C 0.269 175.373 175.328 -0.373 0.000 1.113 349 H CA 0.161 56.092 56.048 -0.194 0.000 1.454 349 H CB 0.404 30.051 29.762 -0.191 0.000 1.525 349 H HN 0.823 nan 8.280 nan 0.000 0.505 350 G N 3.979 112.315 108.800 -0.773 0.000 2.556 350 G HA2 -0.441 3.695 3.960 0.292 0.000 0.283 350 G HA3 -0.441 3.695 3.960 0.292 0.000 0.283 350 G C 0.965 175.526 174.900 -0.566 0.000 1.177 350 G CA 0.442 44.789 45.100 -1.256 0.000 0.978 350 G HN 0.582 nan 8.290 nan 0.000 0.554 351 N N 1.602 120.049 118.700 -0.422 0.000 2.331 351 N HA 0.043 4.958 4.740 0.292 0.000 0.180 351 N C 0.779 176.351 175.510 0.103 0.000 1.019 351 N CA 1.176 54.181 53.050 -0.074 0.000 0.881 351 N CB -0.141 38.276 38.487 -0.117 0.000 0.972 351 N HN 0.530 nan 8.380 nan 0.000 0.435 352 E N 0.976 121.182 120.200 0.009 0.000 2.316 352 E HA 0.156 4.681 4.350 0.292 0.000 0.275 352 E C 0.207 176.822 176.600 0.025 0.000 1.029 352 E CA -0.024 56.397 56.400 0.035 0.000 0.871 352 E CB 0.531 30.227 29.700 -0.007 0.000 1.022 352 E HN 0.128 nan 8.360 nan 0.000 0.418 353 M N 4.187 123.705 119.600 -0.137 0.000 2.228 353 M HA 0.069 4.724 4.480 0.292 0.000 0.351 353 M C 0.776 176.935 176.300 -0.235 0.000 1.233 353 M CA 0.098 55.124 55.300 -0.457 0.000 1.129 353 M CB 0.473 32.818 32.600 -0.426 0.000 1.604 353 M HN 0.454 nan 8.290 nan 0.000 0.457 354 L N 2.499 123.577 121.223 -0.242 0.000 2.509 354 L HA 0.106 4.621 4.340 0.292 0.000 0.222 354 L C 0.458 177.275 176.870 -0.088 0.000 1.123 354 L CA -0.053 54.716 54.840 -0.118 0.000 0.856 354 L CB -0.121 41.877 42.059 -0.101 0.000 0.985 354 L HN 0.971 nan 8.230 nan 0.000 0.456 355 C N -3.506 115.729 119.300 -0.108 0.000 3.165 355 C HA 0.260 4.895 4.460 0.292 0.000 0.345 355 C C -0.640 174.318 174.990 -0.053 0.000 1.367 355 C CA -1.933 57.061 59.018 -0.039 0.000 1.205 355 C CB 0.896 28.661 27.740 0.042 0.000 1.447 355 C HN 0.305 nan 8.230 nan 0.000 0.451 356 K N 1.020 121.409 120.400 -0.018 0.000 2.440 356 K HA 0.441 4.936 4.320 0.292 0.000 0.270 356 K C 0.298 176.894 176.600 -0.007 0.000 0.980 356 K CA 0.950 57.221 56.287 -0.025 0.000 0.953 356 K CB 0.142 32.631 32.500 -0.017 0.000 0.925 356 K HN 1.045 nan 8.250 nan 0.000 0.497 357 T N -1.109 113.435 114.554 -0.016 0.000 2.913 357 T HA 0.352 4.878 4.350 0.292 0.000 0.297 357 T C 0.303 174.983 174.700 -0.033 0.000 1.029 357 T CA -0.818 61.290 62.100 0.013 0.000 1.104 357 T CB 0.958 69.854 68.868 0.046 0.000 0.964 357 T HN 0.589 nan 8.240 nan 0.000 0.532 358 V N -0.392 119.468 119.914 -0.090 0.000 2.680 358 V HA 0.857 5.152 4.120 0.292 0.000 0.309 358 V C -0.258 175.774 176.094 -0.103 0.000 1.052 358 V CA -0.838 61.356 62.300 -0.178 0.000 0.908 358 V CB 1.784 33.342 31.823 -0.441 0.000 1.001 358 V HN 1.022 nan 8.190 nan 0.000 0.431 359 S N 1.823 117.480 115.700 -0.071 0.000 2.648 359 S HA 0.704 5.349 4.470 0.292 0.000 0.305 359 S C 0.097 174.658 174.600 -0.065 0.000 1.094 359 S CA -0.534 57.648 58.200 -0.030 0.000 0.983 359 S CB 1.974 65.196 63.200 0.036 0.000 1.101 359 S HN 0.979 nan 8.310 nan 0.000 0.514 360 S N 1.684 117.330 115.700 -0.090 0.000 2.634 360 S HA 0.414 5.059 4.470 0.292 0.000 0.261 360 S C 0.406 175.021 174.600 0.025 0.000 1.271 360 S CA -0.717 57.436 58.200 -0.078 0.000 0.985 360 S CB 0.575 63.649 63.200 -0.210 0.000 0.968 360 S HN 0.811 nan 8.310 nan 0.000 0.568 361 S N 0.364 116.123 115.700 0.099 0.000 2.632 361 S HA 0.360 5.006 4.470 0.292 0.000 0.271 361 S C -0.499 174.190 174.600 0.148 0.000 1.260 361 S CA -0.921 57.340 58.200 0.101 0.000 1.010 361 S CB 0.353 63.603 63.200 0.084 0.000 0.965 361 S HN 0.639 nan 8.310 nan 0.000 0.534 362 E N 0.644 120.900 120.200 0.093 0.000 2.299 362 E HA 0.366 4.891 4.350 0.292 0.000 0.272 362 E C -1.005 175.630 176.600 0.058 0.000 1.043 362 E CA -0.293 56.156 56.400 0.081 0.000 0.895 362 E CB 0.789 30.519 29.700 0.051 0.000 1.011 362 E HN 0.398 nan 8.360 nan 0.000 0.432 363 V N 4.114 124.057 119.914 0.049 0.000 2.604 363 V HA 0.138 4.433 4.120 0.292 0.000 0.305 363 V C 0.015 176.062 176.094 -0.078 0.000 1.043 363 V CA -1.356 60.901 62.300 -0.073 0.000 0.888 363 V CB 1.764 33.419 31.823 -0.280 0.000 0.995 363 V HN 0.646 nan 8.190 nan 0.000 0.429 364 N N 2.187 120.837 118.700 -0.084 0.000 2.292 364 N HA -0.035 4.880 4.740 0.292 0.000 0.242 364 N C 1.167 176.633 175.510 -0.073 0.000 1.243 364 N CA 0.020 53.033 53.050 -0.063 0.000 0.851 364 N CB 1.066 39.515 38.487 -0.063 0.000 1.093 364 N HN 0.451 nan 8.380 nan 0.000 0.450 365 V N 0.562 120.454 119.914 -0.037 0.000 2.867 365 V HA -0.174 4.121 4.120 0.292 0.000 0.260 365 V C 1.214 177.282 176.094 -0.043 0.000 1.099 365 V CA 0.701 62.986 62.300 -0.026 0.000 1.122 365 V CB -0.252 31.572 31.823 0.002 0.000 0.708 365 V HN 0.754 nan 8.190 nan 0.000 0.490 366 C N 1.358 120.624 119.300 -0.057 0.000 2.619 366 C HA 0.508 5.143 4.460 0.292 0.000 0.389 366 C C 0.710 175.646 174.990 -0.090 0.000 1.314 366 C CA 0.322 59.304 59.018 -0.061 0.000 1.678 366 C CB -1.977 25.730 27.740 -0.056 0.000 2.398 366 C HN 0.680 nan 8.230 nan 0.000 0.582 367 S N 2.625 118.278 115.700 -0.077 0.000 2.589 367 S HA 0.154 4.800 4.470 0.292 0.000 0.281 367 S C -0.484 174.074 174.600 -0.070 0.000 0.796 367 S CA -0.219 57.923 58.200 -0.096 0.000 1.234 367 S CB -0.214 62.885 63.200 -0.168 0.000 1.534 367 S HN 0.927 nan 8.310 nan 0.000 0.444 368 E N 0.006 120.167 120.200 -0.065 0.000 2.513 368 E HA -0.128 4.397 4.350 0.292 0.000 0.257 368 E C -2.554 173.957 176.600 -0.148 0.000 1.098 368 E CA 1.200 57.550 56.400 -0.082 0.000 0.752 368 E CB -1.069 28.590 29.700 -0.068 0.000 1.324 368 E HN 0.301 nan 8.360 nan 0.000 0.403 369 P HA 0.237 nan 4.420 nan 0.000 0.278 369 P C -0.435 176.566 177.300 -0.499 0.000 1.238 369 P CA -0.321 62.499 63.100 -0.466 0.000 0.794 369 P CB 1.355 32.632 31.700 -0.705 0.000 0.955 370 V N 3.053 122.613 119.914 -0.590 0.000 2.531 370 V HA 0.303 4.598 4.120 0.292 0.000 0.301 370 V C 0.452 176.282 176.094 -0.441 0.000 1.034 370 V CA -0.353 61.738 62.300 -0.348 0.000 0.865 370 V CB 2.290 34.003 31.823 -0.185 0.000 0.995 370 V HN 0.717 nan 8.190 nan 0.000 0.424 371 W N 0.907 122.187 121.300 -0.035 0.000 3.127 371 W HA 0.225 5.060 4.660 0.292 0.000 0.248 371 W C 0.855 177.357 176.519 -0.028 0.000 1.058 371 W CA -0.300 57.027 57.345 -0.030 0.000 1.783 371 W CB 0.209 29.654 29.460 -0.025 0.000 1.030 371 W HN 0.585 nan 8.180 nan 0.000 0.653 372 K N 1.591 122.121 120.400 0.217 0.000 3.278 372 K HA -0.212 4.283 4.320 0.292 0.000 0.270 372 K C -0.220 176.430 176.600 0.083 0.000 0.955 372 K CA 0.612 56.960 56.287 0.102 0.000 0.723 372 K CB -1.179 31.345 32.500 0.040 0.000 1.382 372 K HN 0.117 nan 8.250 nan 0.000 0.461 373 Q N 0.719 120.582 119.800 0.104 0.000 2.372 373 Q HA 0.313 4.828 4.340 0.292 0.000 0.273 373 Q C -0.352 175.664 176.000 0.027 0.000 1.078 373 Q CA -0.880 54.959 55.803 0.060 0.000 0.806 373 Q CB 1.803 30.590 28.738 0.081 0.000 1.332 373 Q HN 0.115 nan 8.270 nan 0.000 0.435 374 R N 2.119 122.620 120.500 0.002 0.000 2.316 374 R HA 0.343 4.858 4.340 0.292 0.000 0.314 374 R C -0.157 176.119 176.300 -0.040 0.000 1.069 374 R CA -0.159 55.932 56.100 -0.014 0.000 0.959 374 R CB -0.120 30.165 30.300 -0.026 0.000 0.987 374 R HN 0.446 nan 8.270 nan 0.000 0.446 375 L N 2.639 123.834 121.223 -0.046 0.000 2.265 375 L HA 0.360 4.875 4.340 0.292 0.000 0.289 375 L C 0.601 177.358 176.870 -0.189 0.000 1.033 375 L CA -0.352 54.400 54.840 -0.146 0.000 0.814 375 L CB 0.990 42.965 42.059 -0.140 0.000 1.203 375 L HN 0.481 nan 8.230 nan 0.000 0.423 376 E N 3.052 123.110 120.200 -0.237 0.000 2.179 376 E HA 0.513 5.038 4.350 0.292 0.000 0.275 376 E C -1.427 175.037 176.600 -0.226 0.000 0.945 376 E CA -0.623 55.703 56.400 -0.124 0.000 0.792 376 E CB 1.329 30.994 29.700 -0.059 0.000 1.125 376 E HN 0.300 nan 8.360 nan 0.000 0.397 377 F N 1.740 121.711 119.950 0.036 0.000 2.470 377 F HA 0.171 4.873 4.527 0.292 0.000 0.329 377 F C 0.680 176.520 175.800 0.068 0.000 1.072 377 F CA -0.880 57.169 58.000 0.083 0.000 0.989 377 F CB 1.255 40.380 39.000 0.209 0.000 1.193 377 F HN 0.412 nan 8.300 nan 0.000 0.481 378 D N 3.045 123.569 120.400 0.208 0.000 2.934 378 D HA 0.233 5.048 4.640 0.292 0.000 0.237 378 D C -0.918 175.456 176.300 0.123 0.000 1.158 378 D CA 0.548 54.619 54.000 0.118 0.000 0.971 378 D CB -0.485 40.351 40.800 0.059 0.000 1.123 378 D HN 0.431 nan 8.370 nan 0.000 0.467 379 I N -0.025 120.642 120.570 0.162 0.000 2.715 379 I HA 0.130 4.475 4.170 0.292 0.000 0.288 379 I C -0.873 175.336 176.117 0.152 0.000 1.371 379 I CA -0.487 60.888 61.300 0.125 0.000 1.056 379 I CB 1.609 39.660 38.000 0.084 0.000 1.339 379 I HN -0.106 nan 8.210 nan 0.000 0.425 380 S N 4.209 119.980 115.700 0.118 0.000 2.562 380 S HA 0.172 4.817 4.470 0.292 0.000 0.281 380 S C 1.151 175.833 174.600 0.136 0.000 1.333 380 S CA -0.267 58.005 58.200 0.121 0.000 1.052 380 S CB 1.398 64.658 63.200 0.100 0.000 0.884 380 S HN 0.503 nan 8.310 nan 0.000 0.506 381 V N 4.675 124.674 119.914 0.141 0.000 2.392 381 V HA -0.218 4.077 4.120 0.292 0.000 0.249 381 V C 2.626 178.793 176.094 0.120 0.000 1.059 381 V CA 2.185 64.575 62.300 0.150 0.000 1.051 381 V CB -1.294 30.619 31.823 0.150 0.000 0.658 381 V HN 1.137 nan 8.190 nan 0.000 0.455 382 C N -0.569 118.778 119.300 0.078 0.000 2.422 382 C HA -0.101 4.534 4.460 0.292 0.000 0.286 382 C C 2.011 177.068 174.990 0.111 0.000 1.412 382 C CA 0.452 59.481 59.018 0.018 0.000 1.786 382 C CB -1.224 26.452 27.740 -0.106 0.000 1.835 382 C HN 0.560 nan 8.230 nan 0.000 0.533 383 D N 1.028 121.562 120.400 0.224 0.000 2.323 383 D HA 0.142 4.957 4.640 0.292 0.000 0.209 383 D C 0.789 177.219 176.300 0.217 0.000 0.973 383 D CA 0.283 54.457 54.000 0.289 0.000 0.874 383 D CB -0.176 40.739 40.800 0.192 0.000 0.930 383 D HN 0.559 nan 8.370 nan 0.000 0.521 384 L N 4.020 125.360 121.223 0.194 0.000 2.654 384 L HA 0.062 4.577 4.340 0.292 0.000 0.271 384 L C -1.858 175.244 176.870 0.386 0.000 1.169 384 L CA -1.057 53.901 54.840 0.196 0.000 0.947 384 L CB -0.203 41.926 42.059 0.116 0.000 1.232 384 L HN -0.165 nan 8.230 nan 0.000 0.486 385 P HA 0.035 nan 4.420 nan 0.000 0.272 385 P C 0.236 177.587 177.300 0.084 0.000 1.230 385 P CA -0.581 62.652 63.100 0.222 0.000 0.788 385 P CB 0.829 32.519 31.700 -0.018 0.000 0.949 386 R N 2.200 122.412 120.500 -0.480 0.000 2.117 386 R HA -0.094 4.421 4.340 0.292 0.000 0.243 386 R C 1.554 177.704 176.300 -0.250 0.000 1.143 386 R CA 2.020 57.475 56.100 -1.076 0.000 0.968 386 R CB -0.820 28.604 30.300 -1.460 0.000 0.863 386 R HN 0.391 nan 8.270 nan 0.000 0.444 387 M N 0.531 120.117 119.600 -0.023 0.000 2.551 387 M HA 0.341 4.997 4.480 0.292 0.000 0.252 387 M C -0.071 176.308 176.300 0.131 0.000 1.219 387 M CA -0.345 54.992 55.300 0.063 0.000 0.978 387 M CB -0.424 32.144 32.600 -0.053 0.000 1.533 387 M HN 0.115 nan 8.290 nan 0.000 0.474 388 A N 1.876 124.816 122.820 0.200 0.000 2.548 388 A HA 0.177 4.672 4.320 0.292 0.000 0.247 388 A C 0.413 178.028 177.584 0.052 0.000 1.067 388 A CA 0.230 52.340 52.037 0.122 0.000 0.757 388 A CB -0.050 18.987 19.000 0.060 0.000 0.996 388 A HN 0.583 nan 8.150 nan 0.000 0.504 389 R N 2.591 123.112 120.500 0.035 0.000 2.343 389 R HA 0.496 5.011 4.340 0.292 0.000 0.320 389 R C -1.250 175.066 176.300 0.026 0.000 0.956 389 R CA -0.735 55.391 56.100 0.042 0.000 0.836 389 R CB 0.822 31.167 30.300 0.076 0.000 1.151 389 R HN 0.649 nan 8.270 nan 0.000 0.450 390 L N 5.691 126.910 121.223 -0.007 0.000 2.264 390 L HA 0.421 4.936 4.340 0.292 0.000 0.289 390 L C -1.395 175.455 176.870 -0.033 0.000 1.044 390 L CA -0.211 54.584 54.840 -0.075 0.000 0.807 390 L CB 0.976 42.982 42.059 -0.088 0.000 1.192 390 L HN 0.688 nan 8.230 nan 0.000 0.425 391 C N 5.029 124.272 119.300 -0.095 0.000 2.455 391 C HA 0.659 5.294 4.460 0.292 0.000 0.320 391 C C -0.442 174.455 174.990 -0.155 0.000 1.226 391 C CA -0.822 58.208 59.018 0.019 0.000 1.569 391 C CB 0.617 28.423 27.740 0.111 0.000 2.200 391 C HN 0.697 nan 8.230 nan 0.000 0.491 392 F N 1.444 121.537 119.950 0.238 0.000 2.546 392 F HA 0.703 5.405 4.527 0.292 0.000 0.320 392 F C 0.377 176.329 175.800 0.253 0.000 1.076 392 F CA -0.436 57.689 58.000 0.209 0.000 0.928 392 F CB 1.465 40.548 39.000 0.138 0.000 1.189 392 F HN 0.684 nan 8.300 nan 0.000 0.465 393 A N 3.314 126.389 122.820 0.424 0.000 2.343 393 A HA 0.730 5.226 4.320 0.292 0.000 0.308 393 A C -1.780 176.034 177.584 0.383 0.000 1.092 393 A CA -0.606 51.679 52.037 0.413 0.000 0.751 393 A CB 1.251 20.471 19.000 0.367 0.000 1.203 393 A HN 0.824 nan 8.150 nan 0.000 0.452 394 L N 3.835 125.241 121.223 0.305 0.000 2.282 394 L HA 0.838 5.353 4.340 0.292 0.000 0.288 394 L C -0.860 176.180 176.870 0.283 0.000 1.033 394 L CA -0.298 54.649 54.840 0.178 0.000 0.807 394 L CB 0.706 42.834 42.059 0.115 0.000 1.209 394 L HN 0.787 nan 8.230 nan 0.000 0.423 395 Y N 3.164 123.542 120.300 0.129 0.000 2.728 395 Y HA 0.935 5.660 4.550 0.292 0.000 0.330 395 Y C -0.976 174.992 175.900 0.114 0.000 1.234 395 Y CA -0.976 57.194 58.100 0.115 0.000 1.070 395 Y CB 0.962 39.483 38.460 0.102 0.000 1.300 395 Y HN 0.632 nan 8.280 nan 0.000 0.467 396 A N 0.718 123.710 122.820 0.285 0.000 2.384 396 A HA 0.902 5.397 4.320 0.292 0.000 0.312 396 A C -1.625 176.097 177.584 0.231 0.000 1.113 396 A CA -0.825 51.317 52.037 0.175 0.000 0.779 396 A CB 1.863 20.937 19.000 0.124 0.000 1.307 396 A HN 1.182 nan 8.150 nan 0.000 0.436 397 V N 0.644 120.652 119.914 0.155 0.000 3.204 397 V HA 0.471 4.766 4.120 0.292 0.000 0.298 397 V C -0.335 175.814 176.094 0.092 0.000 1.328 397 V CA -0.458 61.929 62.300 0.146 0.000 1.035 397 V CB 2.317 34.257 31.823 0.194 0.000 1.095 397 V HN 0.986 nan 8.190 nan 0.000 0.442 416 C N 3.378 122.744 119.300 0.110 0.000 2.301 416 C HA 0.519 5.155 4.460 0.292 0.000 0.313 416 C C -2.457 172.627 174.990 0.156 0.000 1.121 416 C CA -1.739 57.346 59.018 0.112 0.000 1.507 416 C CB -0.457 27.348 27.740 0.108 0.000 1.975 416 C HN 0.289 nan 8.230 nan 0.000 0.425 417 P HA 0.286 nan 4.420 nan 0.000 0.268 417 P C 0.249 177.655 177.300 0.176 0.000 1.205 417 P CA 0.313 63.510 63.100 0.162 0.000 0.771 417 P CB 0.756 32.522 31.700 0.110 0.000 0.858 418 I N 0.696 121.394 120.570 0.214 0.000 3.650 418 I HA 0.380 4.725 4.170 0.292 0.000 0.261 418 I C 0.762 176.987 176.117 0.180 0.000 1.154 418 I CA 0.290 61.693 61.300 0.172 0.000 1.418 418 I CB 0.187 38.278 38.000 0.151 0.000 1.539 418 I HN 0.326 nan 8.210 nan 0.000 0.449 419 A N 0.194 123.144 122.820 0.217 0.000 2.599 419 A HA 0.636 5.131 4.320 0.292 0.000 0.290 419 A C -2.227 175.550 177.584 0.322 0.000 1.101 419 A CA -0.536 51.623 52.037 0.204 0.000 0.674 419 A CB 1.077 20.115 19.000 0.064 0.000 1.277 419 A HN 0.339 nan 8.150 nan 0.000 0.419 420 W N -1.163 120.249 121.300 0.187 0.000 3.062 420 W HA 0.851 5.686 4.660 0.292 0.000 0.336 420 W C -0.787 175.889 176.519 0.262 0.000 1.224 420 W CA -0.730 56.739 57.345 0.206 0.000 1.159 420 W CB 1.329 30.883 29.460 0.157 0.000 1.454 420 W HN 1.797 nan 8.180 nan 0.000 0.569 421 A N 2.371 125.505 122.820 0.523 0.000 2.577 421 A HA 0.576 5.071 4.320 0.292 0.000 0.297 421 A C -1.770 176.144 177.584 0.550 0.000 1.060 421 A CA -0.765 51.492 52.037 0.368 0.000 0.697 421 A CB 1.496 20.576 19.000 0.133 0.000 1.281 421 A HN 0.570 nan 8.150 nan 0.000 0.402 422 N N 0.393 119.383 118.700 0.483 0.000 2.265 422 N HA 0.825 5.740 4.740 0.292 0.000 0.300 422 N C -1.177 174.499 175.510 0.277 0.000 1.148 422 N CA -0.446 52.826 53.050 0.370 0.000 0.772 422 N CB 2.030 40.696 38.487 0.299 0.000 1.434 422 N HN 0.757 nan 8.380 nan 0.000 0.481 423 L N -1.558 119.801 121.223 0.227 0.000 2.465 423 L HA 0.650 5.165 4.340 0.292 0.000 0.257 423 L C -0.538 176.397 176.870 0.108 0.000 0.988 423 L CA -0.951 53.986 54.840 0.162 0.000 0.827 423 L CB 0.407 42.570 42.059 0.173 0.000 1.397 423 L HN 0.263 nan 8.230 nan 0.000 0.410 424 M N 2.053 121.704 119.600 0.084 0.000 2.233 424 M HA 0.329 4.984 4.480 0.292 0.000 0.350 424 M C 1.212 177.564 176.300 0.088 0.000 1.176 424 M CA -0.066 55.284 55.300 0.084 0.000 1.150 424 M CB 1.103 33.763 32.600 0.099 0.000 1.530 424 M HN 0.754 nan 8.290 nan 0.000 0.459 425 L N 1.277 122.510 121.223 0.016 0.000 2.179 425 L HA 0.031 4.546 4.340 0.292 0.000 0.208 425 L C 0.172 176.880 176.870 -0.271 0.000 1.096 425 L CA 0.882 55.619 54.840 -0.171 0.000 0.779 425 L CB -0.064 41.757 42.059 -0.396 0.000 0.922 425 L HN 0.454 nan 8.230 nan 0.000 0.443 426 F N 0.257 120.274 119.950 0.112 0.000 2.422 426 F HA 0.201 4.903 4.527 0.292 0.000 0.333 426 F C 0.634 176.573 175.800 0.232 0.000 1.095 426 F CA -1.666 56.418 58.000 0.140 0.000 1.038 426 F CB 0.751 39.825 39.000 0.122 0.000 1.156 426 F HN -0.032 nan 8.300 nan 0.000 0.483 427 D N 1.199 121.801 120.400 0.338 0.000 2.414 427 D HA -0.059 4.756 4.640 0.292 0.000 0.259 427 D C 0.835 177.205 176.300 0.118 0.000 1.269 427 D CA -0.357 53.841 54.000 0.330 0.000 1.028 427 D CB -0.094 40.847 40.800 0.236 0.000 1.093 427 D HN 0.640 nan 8.370 nan 0.000 0.545 428 Y N -2.017 118.216 120.300 -0.112 0.000 2.639 428 Y HA 0.190 4.916 4.550 0.292 0.000 0.297 428 Y C 0.989 176.709 175.900 -0.299 0.000 1.151 428 Y CA 0.468 58.240 58.100 -0.547 0.000 1.335 428 Y CB -0.122 38.216 38.460 -0.204 0.000 0.994 428 Y HN 0.069 nan 8.280 nan 0.000 0.548 429 K N 1.017 121.096 120.400 -0.535 0.000 2.593 429 K HA 0.074 4.569 4.320 0.292 0.000 0.208 429 K C -0.480 176.122 176.600 0.003 0.000 1.051 429 K CA 0.493 56.566 56.287 -0.357 0.000 1.111 429 K CB 0.046 32.286 32.500 -0.433 0.000 0.849 429 K HN 0.365 nan 8.250 nan 0.000 0.479 430 D N 0.129 120.535 120.400 0.010 0.000 3.006 430 D HA -0.242 4.574 4.640 0.292 0.000 0.208 430 D C 0.303 176.836 176.300 0.388 0.000 1.116 430 D CA 1.064 55.161 54.000 0.162 0.000 0.998 430 D CB -0.788 40.102 40.800 0.150 0.000 1.124 430 D HN 0.432 nan 8.370 nan 0.000 0.413 431 Q N 0.351 120.317 119.800 0.277 0.000 2.288 431 Q HA 0.339 4.854 4.340 0.292 0.000 0.254 431 Q C -0.142 175.975 176.000 0.195 0.000 0.932 431 Q CA -0.723 55.087 55.803 0.012 0.000 0.902 431 Q CB 0.830 29.405 28.738 -0.272 0.000 1.203 431 Q HN 0.216 nan 8.270 nan 0.000 0.415 432 L N 4.305 125.607 121.223 0.131 0.000 2.499 432 L HA 0.077 4.593 4.340 0.292 0.000 0.273 432 L C -0.498 176.295 176.870 -0.130 0.000 1.195 432 L CA 0.745 55.476 54.840 -0.183 0.000 0.882 432 L CB 0.387 42.332 42.059 -0.189 0.000 1.133 432 L HN 0.542 nan 8.230 nan 0.000 0.483 433 K N 3.322 123.640 120.400 -0.138 0.000 2.382 433 K HA 0.403 4.898 4.320 0.292 0.000 0.275 433 K C -0.100 176.455 176.600 -0.075 0.000 1.009 433 K CA 0.272 56.520 56.287 -0.064 0.000 0.970 433 K CB 0.473 32.959 32.500 -0.024 0.000 0.934 433 K HN 0.846 nan 8.250 nan 0.000 0.479 434 T N -1.722 112.777 114.554 -0.092 0.000 2.840 434 T HA 0.472 4.997 4.350 0.292 0.000 0.317 434 T C 0.405 174.991 174.700 -0.190 0.000 1.401 434 T CA -0.696 61.308 62.100 -0.159 0.000 1.028 434 T CB 1.789 70.588 68.868 -0.114 0.000 1.317 434 T HN 0.498 nan 8.240 nan 0.000 0.495 435 G N 0.067 108.661 108.800 -0.344 0.000 2.613 435 G HA2 0.335 4.471 3.960 0.292 0.000 0.218 435 G HA3 0.335 4.471 3.960 0.292 0.000 0.218 435 G C 0.082 174.436 174.900 -0.910 0.000 1.508 435 G CA -0.191 44.402 45.100 -0.845 0.000 0.788 435 G HN 0.953 nan 8.290 nan 0.000 0.603 436 E N 0.473 120.241 120.200 -0.720 0.000 2.360 436 E HA 0.492 5.018 4.350 0.292 0.000 0.269 436 E C -0.575 175.950 176.600 -0.126 0.000 1.022 436 E CA -0.216 56.032 56.400 -0.254 0.000 0.887 436 E CB 0.616 30.343 29.700 0.044 0.000 0.990 436 E HN 0.061 nan 8.360 nan 0.000 0.426 437 R N 2.213 122.666 120.500 -0.078 0.000 2.744 437 R HA 0.394 4.909 4.340 0.292 0.000 0.279 437 R C -1.580 174.664 176.300 -0.094 0.000 0.977 437 R CA -0.493 55.570 56.100 -0.062 0.000 0.906 437 R CB 1.874 32.150 30.300 -0.041 0.000 1.197 437 R HN 0.574 nan 8.270 nan 0.000 0.463 438 C N 4.893 124.121 119.300 -0.121 0.000 2.298 438 C HA 0.585 5.220 4.460 0.292 0.000 0.323 438 C C -0.817 173.969 174.990 -0.341 0.000 1.284 438 C CA -0.682 58.180 59.018 -0.260 0.000 1.577 438 C CB -0.626 26.938 27.740 -0.293 0.000 2.249 438 C HN 0.709 nan 8.230 nan 0.000 0.497 439 L N 7.167 128.161 121.223 -0.383 0.000 2.283 439 L HA 0.358 4.873 4.340 0.292 0.000 0.281 439 L C -0.856 175.772 176.870 -0.403 0.000 1.033 439 L CA -0.390 54.270 54.840 -0.300 0.000 0.848 439 L CB 0.352 42.270 42.059 -0.234 0.000 1.226 439 L HN 0.655 nan 8.230 nan 0.000 0.429 440 Y N 3.741 123.916 120.300 -0.209 0.000 2.531 440 Y HA 0.252 4.978 4.550 0.292 0.000 0.347 440 Y C 0.716 176.344 175.900 -0.453 0.000 1.024 440 Y CA -0.125 57.798 58.100 -0.295 0.000 1.306 440 Y CB 0.377 38.652 38.460 -0.309 0.000 1.149 440 Y HN 0.468 nan 8.280 nan 0.000 0.527 441 M N 2.626 122.050 119.600 -0.293 0.000 2.291 441 M HA 0.264 4.919 4.480 0.292 0.000 0.324 441 M C -0.927 175.044 176.300 -0.548 0.000 1.148 441 M CA -0.474 54.601 55.300 -0.374 0.000 1.104 441 M CB 1.059 33.544 32.600 -0.192 0.000 1.483 441 M HN 0.570 nan 8.290 nan 0.000 0.467 442 W N 1.836 122.737 121.300 -0.664 0.000 2.417 442 W HA 0.413 5.247 4.660 0.291 0.000 0.317 442 W C -2.089 174.163 176.519 -0.445 0.000 1.121 442 W CA -1.532 55.406 57.345 -0.679 0.000 1.208 442 W CB 0.172 28.898 29.460 -1.224 0.000 1.253 442 W HN 0.291 nan 8.180 nan 0.000 0.533 443 P HA 0.110 nan 4.420 nan 0.000 0.275 443 P C -0.492 176.970 177.300 0.270 0.000 1.228 443 P CA -0.281 62.898 63.100 0.133 0.000 0.786 443 P CB 1.070 32.836 31.700 0.111 0.000 0.927 444 S N 1.870 117.732 115.700 0.271 0.000 2.423 444 S HA 0.357 5.003 4.470 0.292 0.000 0.317 444 S C -0.005 174.711 174.600 0.193 0.000 1.065 444 S CA -0.376 58.024 58.200 0.333 0.000 1.111 444 S CB -0.351 63.047 63.200 0.331 0.000 0.968 444 S HN 0.528 nan 8.310 nan 0.000 0.474 453 L N 2.253 123.454 121.223 -0.038 0.000 2.453 453 L HA 0.572 5.087 4.340 0.292 0.000 0.272 453 L C 0.536 177.250 176.870 -0.260 0.000 1.182 453 L CA 0.571 55.374 54.840 -0.061 0.000 0.858 453 L CB 0.769 42.851 42.059 0.038 0.000 1.120 453 L HN 0.627 nan 8.230 nan 0.000 0.474 454 N N 4.413 122.887 118.700 -0.377 0.000 2.813 454 N HA 0.316 5.231 4.740 0.292 0.000 0.282 454 N C -1.952 173.201 175.510 -0.594 0.000 1.748 454 N CA -1.513 51.171 53.050 -0.611 0.000 0.860 454 N CB 0.893 38.731 38.487 -1.083 0.000 1.204 454 N HN 0.240 nan 8.380 nan 0.000 0.490 455 P HA -0.123 nan 4.420 nan 0.000 0.219 455 P C 0.786 177.854 177.300 -0.387 0.000 1.146 455 P CA 0.862 63.616 63.100 -0.577 0.000 0.808 455 P CB 0.289 31.421 31.700 -0.947 0.000 0.779 456 A N -0.019 122.431 122.820 -0.617 0.000 2.167 456 A HA 0.264 4.760 4.320 0.292 0.000 0.214 456 A C 1.506 178.716 177.584 -0.623 0.000 1.151 456 A CA 0.446 51.869 52.037 -1.024 0.000 0.735 456 A CB -1.240 17.140 19.000 -1.034 0.000 0.802 456 A HN 0.294 nan 8.150 nan 0.000 0.467 457 G N -0.600 107.868 108.800 -0.555 0.000 2.554 457 G HA2 0.336 4.472 3.960 0.292 0.000 0.238 457 G HA3 0.336 4.472 3.960 0.292 0.000 0.238 457 G C 0.313 175.157 174.900 -0.093 0.000 1.259 457 G CA 0.503 45.333 45.100 -0.449 0.000 0.843 457 G HN 0.194 nan 8.290 nan 0.000 0.582 458 T N -0.855 113.694 114.554 -0.007 0.000 2.939 458 T HA 0.086 4.611 4.350 0.292 0.000 0.319 458 T C 1.541 176.339 174.700 0.163 0.000 1.082 458 T CA 0.443 62.549 62.100 0.011 0.000 1.133 458 T CB 0.498 69.308 68.868 -0.097 0.000 1.019 458 T HN 1.000 nan 8.240 nan 0.000 0.548 459 V N 2.663 122.638 119.914 0.102 0.000 3.514 459 V HA 0.459 4.754 4.120 0.292 0.000 0.301 459 V C 0.759 176.938 176.094 0.142 0.000 1.346 459 V CA -0.157 62.218 62.300 0.123 0.000 1.156 459 V CB -0.851 30.987 31.823 0.026 0.000 1.029 459 V HN 0.678 nan 8.190 nan 0.000 0.428 460 R N 0.505 121.115 120.500 0.184 0.000 2.664 460 R HA 0.673 5.189 4.340 0.292 0.000 0.286 460 R C 0.620 177.101 176.300 0.301 0.000 0.967 460 R CA -0.079 56.133 56.100 0.187 0.000 0.933 460 R CB 1.715 32.095 30.300 0.134 0.000 1.146 460 R HN 0.458 nan 8.270 nan 0.000 0.468 461 G N 1.651 110.536 108.800 0.140 0.000 2.569 461 G HA2 -0.060 4.076 3.960 0.292 0.000 0.249 461 G HA3 -0.060 4.076 3.960 0.292 0.000 0.249 461 G C -0.360 174.325 174.900 -0.357 0.000 1.216 461 G CA -0.455 44.618 45.100 -0.045 0.000 0.845 461 G HN 0.627 nan 8.290 nan 0.000 0.568 462 N N 1.610 119.675 118.700 -1.060 0.000 2.434 462 N HA 0.055 4.970 4.740 0.292 0.000 0.268 462 N C -0.835 174.265 175.510 -0.684 0.000 1.256 462 N CA -1.757 50.380 53.050 -1.522 0.000 0.914 462 N CB 1.437 39.032 38.487 -1.487 0.000 1.088 462 N HN 0.135 nan 8.380 nan 0.000 0.478 463 P HA -0.085 nan 4.420 nan 0.000 0.226 463 P C 0.063 177.186 177.300 -0.296 0.000 1.153 463 P CA 0.601 63.528 63.100 -0.288 0.000 0.777 463 P CB 0.222 31.837 31.700 -0.141 0.000 0.794 464 N N 1.043 119.557 118.700 -0.311 0.000 3.245 464 N HA 0.002 4.918 4.740 0.292 0.000 0.296 464 N C 0.982 176.327 175.510 -0.275 0.000 1.254 464 N CA 0.201 53.109 53.050 -0.236 0.000 1.190 464 N CB -0.538 37.846 38.487 -0.170 0.000 1.460 464 N HN 0.036 nan 8.380 nan 0.000 0.538 465 T N -1.912 112.415 114.554 -0.378 0.000 2.915 465 T HA -0.157 4.368 4.350 0.292 0.000 0.269 465 T C 1.393 175.967 174.700 -0.209 0.000 1.071 465 T CA 0.978 62.774 62.100 -0.507 0.000 1.132 465 T CB -0.070 68.308 68.868 -0.817 0.000 0.878 465 T HN 0.526 nan 8.240 nan 0.000 0.479 466 E N 0.806 120.916 120.200 -0.151 0.000 2.085 466 E HA -0.159 4.367 4.350 0.292 0.000 0.194 466 E C 2.160 178.732 176.600 -0.047 0.000 0.994 466 E CA 1.393 57.747 56.400 -0.077 0.000 0.801 466 E CB -0.242 29.418 29.700 -0.067 0.000 0.743 466 E HN 0.536 nan 8.360 nan 0.000 0.453 467 S N -1.074 114.590 115.700 -0.061 0.000 2.506 467 S HA 0.343 4.989 4.470 0.292 0.000 0.219 467 S C 0.279 174.857 174.600 -0.037 0.000 1.031 467 S CA 0.167 58.342 58.200 -0.041 0.000 0.911 467 S CB 0.426 63.600 63.200 -0.043 0.000 0.812 467 S HN 0.402 nan 8.310 nan 0.000 0.497 468 A N 1.924 124.711 122.820 -0.054 0.000 2.450 468 A HA 0.688 5.183 4.320 0.292 0.000 0.255 468 A C 0.560 178.143 177.584 -0.002 0.000 1.096 468 A CA 0.047 52.050 52.037 -0.057 0.000 0.778 468 A CB -0.096 18.832 19.000 -0.119 0.000 1.031 468 A HN 0.632 nan 8.150 nan 0.000 0.494 469 A N 1.756 124.559 122.820 -0.029 0.000 2.555 469 A HA 0.489 4.984 4.320 0.292 0.000 0.233 469 A C 0.646 178.189 177.584 -0.068 0.000 1.060 469 A CA 0.663 52.684 52.037 -0.027 0.000 0.759 469 A CB -0.134 18.858 19.000 -0.013 0.000 0.995 469 A HN 2.335 nan 8.150 nan 0.000 0.506 470 A N 1.921 124.683 122.820 -0.097 0.000 2.414 470 A HA 0.688 5.183 4.320 0.292 0.000 0.306 470 A C -0.840 176.627 177.584 -0.195 0.000 1.054 470 A CA -0.435 51.459 52.037 -0.238 0.000 0.724 470 A CB 1.113 19.889 19.000 -0.373 0.000 1.267 470 A HN 0.843 nan 8.150 nan 0.000 0.418 471 L N 2.875 123.941 121.223 -0.262 0.000 2.349 471 L HA 0.556 5.071 4.340 0.292 0.000 0.278 471 L C -0.430 176.286 176.870 -0.257 0.000 0.996 471 L CA -1.056 53.650 54.840 -0.224 0.000 0.825 471 L CB 1.947 43.818 42.059 -0.313 0.000 1.243 471 L HN 0.672 nan 8.230 nan 0.000 0.412 472 V N 3.072 122.892 119.914 -0.157 0.000 2.439 472 V HA 0.664 4.959 4.120 0.292 0.000 0.282 472 V C -0.109 175.934 176.094 -0.085 0.000 1.039 472 V CA -0.479 61.748 62.300 -0.121 0.000 0.913 472 V CB 1.200 32.987 31.823 -0.060 0.000 0.983 472 V HN 0.673 nan 8.190 nan 0.000 0.460 473 I N 2.195 122.718 120.570 -0.078 0.000 3.145 473 I HA 0.752 5.097 4.170 0.292 0.000 0.313 473 I C -1.471 174.701 176.117 0.092 0.000 1.122 473 I CA -1.267 60.026 61.300 -0.012 0.000 0.987 473 I CB 2.521 40.477 38.000 -0.073 0.000 1.236 473 I HN 0.673 nan 8.210 nan 0.000 0.453 474 Y N 2.803 123.103 120.300 0.001 0.000 2.373 474 Y HA 0.673 5.398 4.550 0.292 0.000 0.336 474 Y C -1.580 174.326 175.900 0.009 0.000 0.979 474 Y CA -0.822 57.280 58.100 0.005 0.000 1.080 474 Y CB 1.859 40.318 38.460 -0.002 0.000 1.190 474 Y HN 0.522 nan 8.280 nan 0.000 0.446 475 L N 8.793 129.921 121.223 -0.159 0.000 2.275 475 L HA 0.531 5.047 4.340 0.292 0.000 0.288 475 L C -2.329 174.517 176.870 -0.040 0.000 1.046 475 L CA -1.999 52.806 54.840 -0.059 0.000 0.805 475 L CB 1.054 43.081 42.059 -0.054 0.000 1.193 475 L HN 0.510 nan 8.230 nan 0.000 0.426 476 P HA 0.157 nan 4.420 nan 0.000 0.278 476 P C -1.074 176.273 177.300 0.079 0.000 1.238 476 P CA -0.735 62.471 63.100 0.178 0.000 0.794 476 P CB 0.337 32.097 31.700 0.100 0.000 0.955 477 E N 1.152 121.414 120.200 0.103 0.000 2.161 477 E HA 0.036 4.561 4.350 0.292 0.000 0.263 477 E C 0.870 177.492 176.600 0.036 0.000 1.185 477 E CA -0.448 55.982 56.400 0.050 0.000 0.938 477 E CB -0.066 29.671 29.700 0.061 0.000 1.023 477 E HN 0.261 nan 8.360 nan 0.000 0.433 478 V N 0.738 120.664 119.914 0.021 0.000 2.970 478 V HA 0.153 4.448 4.120 0.292 0.000 0.260 478 V C 0.771 176.873 176.094 0.013 0.000 1.100 478 V CA 0.990 63.302 62.300 0.020 0.000 1.122 478 V CB -0.684 31.154 31.823 0.026 0.000 0.721 478 V HN 0.709 nan 8.190 nan 0.000 0.483 483 V N -0.536 119.274 119.914 -0.173 0.000 2.604 483 V HA 0.837 5.132 4.120 0.292 0.000 0.305 483 V C -1.130 174.877 176.094 -0.145 0.000 1.043 483 V CA -0.644 61.617 62.300 -0.064 0.000 0.888 483 V CB 1.810 33.659 31.823 0.043 0.000 0.995 483 V HN 0.483 nan 8.190 nan 0.000 0.429 484 Y N 2.803 123.193 120.300 0.149 0.000 2.549 484 Y HA 0.609 5.334 4.550 0.292 0.000 0.339 484 Y C -0.028 175.961 175.900 0.150 0.000 1.053 484 Y CA -1.033 57.169 58.100 0.169 0.000 1.105 484 Y CB 1.892 40.408 38.460 0.094 0.000 1.258 484 Y HN 0.786 nan 8.280 nan 0.000 0.478 485 F N 3.939 123.962 119.950 0.122 0.000 2.572 485 F HA 0.233 4.936 4.527 0.292 0.000 0.370 485 F C -1.862 173.961 175.800 0.039 0.000 1.103 485 F CA -1.471 56.489 58.000 -0.067 0.000 1.286 485 F CB 0.382 39.171 39.000 -0.353 0.000 1.105 485 F HN 0.297 nan 8.300 nan 0.000 0.583 486 P HA 0.138 nan 4.420 nan 0.000 0.267 486 P C -1.095 176.238 177.300 0.054 0.000 1.200 486 P CA -0.197 62.827 63.100 -0.126 0.000 0.772 486 P CB 0.538 32.090 31.700 -0.247 0.000 0.855 487 A N 2.103 124.957 122.820 0.057 0.000 2.366 487 A HA 0.080 4.575 4.320 0.292 0.000 0.249 487 A C 1.366 179.014 177.584 0.106 0.000 1.084 487 A CA -0.311 51.785 52.037 0.098 0.000 0.794 487 A CB -0.345 18.686 19.000 0.050 0.000 1.034 487 A HN 0.652 nan 8.150 nan 0.000 0.491 488 L N 0.842 122.151 121.223 0.144 0.000 2.013 488 L HA -0.250 4.265 4.340 0.292 0.000 0.212 488 L C 2.564 179.453 176.870 0.032 0.000 1.073 488 L CA 2.986 57.876 54.840 0.083 0.000 0.753 488 L CB -0.855 41.260 42.059 0.092 0.000 0.890 488 L HN 0.960 nan 8.230 nan 0.000 0.432 489 E N -1.456 118.764 120.200 0.034 0.000 2.118 489 E HA -0.266 4.260 4.350 0.292 0.000 0.195 489 E C 1.900 178.497 176.600 -0.005 0.000 0.992 489 E CA 1.280 57.690 56.400 0.017 0.000 0.804 489 E CB -0.401 29.307 29.700 0.014 0.000 0.741 489 E HN 0.394 nan 8.360 nan 0.000 0.458 490 K N 0.383 120.775 120.400 -0.014 0.000 2.155 490 K HA -0.015 4.480 4.320 0.292 0.000 0.203 490 K C 2.161 178.729 176.600 -0.052 0.000 1.052 490 K CA 0.601 56.858 56.287 -0.050 0.000 0.948 490 K CB -0.059 32.404 32.500 -0.062 0.000 0.728 490 K HN 0.304 nan 8.250 nan 0.000 0.448 491 I N 1.202 121.762 120.570 -0.017 0.000 2.252 491 I HA -0.214 4.132 4.170 0.292 0.000 0.245 491 I C 2.287 178.408 176.117 0.007 0.000 1.102 491 I CA 1.062 62.361 61.300 -0.002 0.000 1.385 491 I CB -0.766 37.249 38.000 0.025 0.000 1.064 491 I HN 0.080 nan 8.210 nan 0.000 0.414 492 L N 0.115 121.353 121.223 0.024 0.000 2.093 492 L HA -0.171 4.344 4.340 0.292 0.000 0.208 492 L C 2.480 179.353 176.870 0.006 0.000 1.085 492 L CA 1.034 55.928 54.840 0.090 0.000 0.755 492 L CB -0.553 41.581 42.059 0.125 0.000 0.904 492 L HN 0.257 nan 8.230 nan 0.000 0.435 493 E N 0.088 120.269 120.200 -0.033 0.000 2.033 493 E HA -0.226 4.299 4.350 0.292 0.000 0.199 493 E C 0.996 177.526 176.600 -0.117 0.000 1.011 493 E CA 1.039 57.390 56.400 -0.081 0.000 0.815 493 E CB -0.089 29.555 29.700 -0.093 0.000 0.755 493 E HN 0.091 nan 8.360 nan 0.000 0.451 512 R N 2.041 122.522 120.500 -0.032 0.000 2.094 512 R HA -0.124 4.391 4.340 0.292 0.000 0.239 512 R C 1.625 177.823 176.300 -0.169 0.000 1.137 512 R CA 2.522 58.571 56.100 -0.085 0.000 0.943 512 R CB -0.375 29.882 30.300 -0.071 0.000 0.850 512 R HN 0.645 nan 8.270 nan 0.000 0.433 513 E N -0.168 119.937 120.200 -0.158 0.000 2.158 513 E HA -0.109 4.416 4.350 0.292 0.000 0.191 513 E C 1.983 178.524 176.600 -0.098 0.000 0.982 513 E CA 0.409 56.695 56.400 -0.190 0.000 0.823 513 E CB -0.149 29.505 29.700 -0.076 0.000 0.766 513 E HN 0.138 nan 8.360 nan 0.000 0.468 514 I N 1.335 121.874 120.570 -0.051 0.000 2.454 514 I HA -0.227 4.118 4.170 0.292 0.000 0.254 514 I C 1.980 178.085 176.117 -0.021 0.000 1.156 514 I CA 0.971 62.258 61.300 -0.021 0.000 1.433 514 I CB 0.105 38.104 38.000 -0.002 0.000 1.082 514 I HN 0.110 nan 8.210 nan 0.000 0.432 515 L N -2.177 119.024 121.223 -0.037 0.000 2.354 515 L HA 0.217 4.732 4.340 0.292 0.000 0.212 515 L C 1.427 178.271 176.870 -0.044 0.000 1.091 515 L CA 0.840 55.663 54.840 -0.028 0.000 0.828 515 L CB -0.948 41.095 42.059 -0.028 0.000 0.973 515 L HN -0.038 nan 8.230 nan 0.000 0.461 516 E N 2.601 122.750 120.200 -0.085 0.000 2.346 516 E HA 0.155 4.680 4.350 0.292 0.000 0.317 516 E C -0.384 176.180 176.600 -0.059 0.000 1.404 516 E CA -0.210 56.130 56.400 -0.101 0.000 1.534 516 E CB -0.008 29.555 29.700 -0.228 0.000 1.309 516 E HN 0.403 nan 8.360 nan 0.000 0.499 523 L N -1.320 119.801 121.223 -0.169 0.000 2.376 523 L HA 0.652 5.167 4.340 0.292 0.000 0.258 523 L C -1.035 175.698 176.870 -0.229 0.000 1.013 523 L CA -1.102 53.633 54.840 -0.176 0.000 0.822 523 L CB 1.170 43.183 42.059 -0.076 0.000 1.388 523 L HN 0.468 nan 8.230 nan 0.000 0.413 524 Y N 0.126 120.376 120.300 -0.084 0.000 2.299 524 Y HA 0.119 4.844 4.550 0.292 0.000 0.335 524 Y C 1.461 177.312 175.900 -0.081 0.000 1.287 524 Y CA 0.246 58.314 58.100 -0.053 0.000 1.424 524 Y CB 0.798 39.266 38.460 0.012 0.000 1.326 524 Y HN 0.761 nan 8.280 nan 0.000 0.567 525 E N 0.457 120.773 120.200 0.194 0.000 2.085 525 E HA -0.283 4.243 4.350 0.292 0.000 0.194 525 E C 1.848 178.512 176.600 0.107 0.000 0.994 525 E CA 2.275 58.744 56.400 0.116 0.000 0.801 525 E CB -0.198 29.577 29.700 0.125 0.000 0.743 525 E HN 0.850 nan 8.360 nan 0.000 0.453 526 H N -1.064 118.063 119.070 0.094 0.000 2.423 526 H HA 0.071 4.802 4.556 0.292 0.000 0.297 526 H C 1.769 177.142 175.328 0.076 0.000 1.075 526 H CA 1.346 57.434 56.048 0.067 0.000 1.342 526 H CB -0.211 29.575 29.762 0.039 0.000 1.395 526 H HN 0.218 nan 8.280 nan 0.000 0.530 527 E N 1.155 121.042 120.200 -0.521 0.000 2.106 527 E HA -0.133 4.393 4.350 0.292 0.000 0.192 527 E C 2.017 178.568 176.600 -0.081 0.000 0.984 527 E CA 1.050 57.273 56.400 -0.295 0.000 0.806 527 E CB 0.015 29.556 29.700 -0.265 0.000 0.750 527 E HN 0.567 nan 8.360 nan 0.000 0.458 528 K N 0.854 121.229 120.400 -0.041 0.000 2.032 528 K HA -0.186 4.310 4.320 0.292 0.000 0.209 528 K C 1.778 178.423 176.600 0.075 0.000 1.048 528 K CA 1.718 58.016 56.287 0.017 0.000 0.927 528 K CB -0.121 32.382 32.500 0.005 0.000 0.712 528 K HN 0.028 nan 8.250 nan 0.000 0.441 529 D N 0.656 121.102 120.400 0.078 0.000 2.144 529 D HA -0.144 4.671 4.640 0.292 0.000 0.199 529 D C 1.676 178.064 176.300 0.146 0.000 0.984 529 D CA 0.605 54.684 54.000 0.131 0.000 0.834 529 D CB -0.027 40.842 40.800 0.115 0.000 0.955 529 D HN -0.024 nan 8.370 nan 0.000 0.465 530 L N 0.496 121.774 121.223 0.092 0.000 2.027 530 L HA -0.098 4.417 4.340 0.292 0.000 0.206 530 L C 2.194 179.106 176.870 0.071 0.000 1.074 530 L CA 1.167 56.050 54.840 0.071 0.000 0.745 530 L CB -0.816 41.269 42.059 0.043 0.000 0.898 530 L HN -0.008 nan 8.230 nan 0.000 0.433 531 V N -0.851 119.108 119.914 0.076 0.000 2.255 531 V HA -0.360 3.936 4.120 0.292 0.000 0.247 531 V C 2.296 178.468 176.094 0.131 0.000 1.051 531 V CA 2.189 64.541 62.300 0.086 0.000 1.018 531 V CB -0.882 30.992 31.823 0.085 0.000 0.641 531 V HN 0.641 nan 8.190 nan 0.000 0.445 532 W N 1.261 122.554 121.300 -0.011 0.000 2.358 532 W HA -0.219 4.616 4.660 0.292 0.000 0.303 532 W C 2.516 179.027 176.519 -0.014 0.000 1.208 532 W CA 2.124 59.453 57.345 -0.027 0.000 1.274 532 W CB -0.129 29.304 29.460 -0.044 0.000 1.138 532 W HN 0.243 nan 8.180 nan 0.000 0.515 533 K N 0.014 120.409 120.400 -0.008 0.000 2.074 533 K HA -0.213 4.282 4.320 0.292 0.000 0.209 533 K C 1.632 178.166 176.600 -0.110 0.000 1.048 533 K CA 1.681 57.919 56.287 -0.081 0.000 0.926 533 K CB -0.310 32.210 32.500 0.033 0.000 0.713 533 K HN 0.006 nan 8.250 nan 0.000 0.444 534 M N 1.603 121.172 119.600 -0.050 0.000 2.626 534 M HA 0.043 4.698 4.480 0.292 0.000 0.262 534 M C 1.041 177.323 176.300 -0.030 0.000 1.256 534 M CA 0.322 55.621 55.300 -0.002 0.000 0.981 534 M CB -0.011 32.619 32.600 0.049 0.000 1.492 534 M HN 0.192 nan 8.290 nan 0.000 0.474 535 R N -0.688 119.690 120.500 -0.203 0.000 2.117 535 R HA -0.191 4.324 4.340 0.292 0.000 0.243 535 R C 1.233 177.408 176.300 -0.208 0.000 1.143 535 R CA 1.947 57.901 56.100 -0.243 0.000 0.968 535 R CB -1.017 28.951 30.300 -0.553 0.000 0.863 535 R HN 0.372 nan 8.270 nan 0.000 0.444 536 H N 0.808 119.828 119.070 -0.082 0.000 2.387 536 H HA -0.030 4.702 4.556 0.292 0.000 0.299 536 H C 1.902 177.192 175.328 -0.063 0.000 1.090 536 H CA 1.665 57.668 56.048 -0.075 0.000 1.332 536 H CB 0.082 29.804 29.762 -0.066 0.000 1.386 536 H HN 0.353 nan 8.280 nan 0.000 0.516 537 E N 0.507 120.787 120.200 0.134 0.000 2.158 537 E HA -0.071 4.455 4.350 0.292 0.000 0.191 537 E C 2.470 179.212 176.600 0.237 0.000 0.982 537 E CA 0.471 56.996 56.400 0.209 0.000 0.823 537 E CB -0.419 29.430 29.700 0.249 0.000 0.766 537 E HN 0.304 nan 8.360 nan 0.000 0.468 538 V N 2.027 122.062 119.914 0.202 0.000 2.255 538 V HA -0.313 3.982 4.120 0.292 0.000 0.247 538 V C 2.739 178.846 176.094 0.023 0.000 1.051 538 V CA 2.264 64.728 62.300 0.273 0.000 1.018 538 V CB -0.653 31.344 31.823 0.290 0.000 0.641 538 V HN 0.277 nan 8.190 nan 0.000 0.445 539 Q N -0.247 119.356 119.800 -0.329 0.000 2.030 539 Q HA -0.292 4.223 4.340 0.292 0.000 0.204 539 Q C 2.301 177.881 176.000 -0.700 0.000 0.986 539 Q CA 2.407 57.579 55.803 -1.053 0.000 0.843 539 Q CB -0.118 28.096 28.738 -0.873 0.000 0.904 539 Q HN 0.731 nan 8.270 nan 0.000 0.420 540 E N -1.393 118.529 120.200 -0.462 0.000 2.106 540 E HA -0.173 4.352 4.350 0.292 0.000 0.192 540 E C 1.327 177.477 176.600 -0.749 0.000 0.984 540 E CA 1.419 57.459 56.400 -0.599 0.000 0.806 540 E CB 0.128 29.450 29.700 -0.630 0.000 0.750 540 E HN 0.532 nan 8.360 nan 0.000 0.458 541 H N -2.936 115.954 119.070 -0.301 0.000 3.241 541 H HA 0.207 4.938 4.556 0.292 0.000 0.260 541 H C -0.467 174.334 175.328 -0.878 0.000 1.084 541 H CA -0.096 55.614 56.048 -0.564 0.000 1.203 541 H CB 0.794 30.161 29.762 -0.658 0.000 1.524 541 H HN -0.034 nan 8.280 nan 0.000 0.521 542 F N 1.017 120.988 119.950 0.035 0.000 2.566 542 F HA 0.276 4.978 4.527 0.292 0.000 0.347 542 F C -2.010 173.855 175.800 0.108 0.000 1.515 542 F CA -2.013 56.031 58.000 0.073 0.000 1.103 542 F CB 1.361 40.423 39.000 0.102 0.000 1.385 542 F HN -0.035 nan 8.300 nan 0.000 0.560 543 P HA -0.177 nan 4.420 nan 0.000 0.219 543 P C 0.812 178.458 177.300 0.577 0.000 1.146 543 P CA 1.501 64.739 63.100 0.231 0.000 0.808 543 P CB 0.340 32.023 31.700 -0.028 0.000 0.779 544 E N -0.377 120.033 120.200 0.349 0.000 2.482 544 E HA 0.064 4.589 4.350 0.292 0.000 0.196 544 E C 1.559 178.298 176.600 0.231 0.000 1.047 544 E CA 0.285 56.848 56.400 0.271 0.000 0.869 544 E CB -0.185 29.631 29.700 0.192 0.000 0.836 544 E HN 0.226 nan 8.360 nan 0.000 0.520 545 A N 0.741 123.738 122.820 0.295 0.000 2.337 545 A HA 0.054 4.549 4.320 0.292 0.000 0.227 545 A C 1.748 179.427 177.584 0.159 0.000 1.259 545 A CA -0.167 51.994 52.037 0.206 0.000 0.870 545 A CB -0.165 18.951 19.000 0.194 0.000 0.927 545 A HN 0.185 nan 8.150 nan 0.000 0.497 546 L N 0.250 121.542 121.223 0.115 0.000 2.010 546 L HA -0.271 4.244 4.340 0.292 0.000 0.219 546 L C 2.557 179.276 176.870 -0.251 0.000 1.077 546 L CA 2.642 57.289 54.840 -0.321 0.000 0.773 546 L CB -0.844 40.704 42.059 -0.852 0.000 0.892 546 L HN 0.395 nan 8.230 nan 0.000 0.436 547 A N -0.657 122.044 122.820 -0.199 0.000 1.908 547 A HA -0.308 4.187 4.320 0.292 0.000 0.218 547 A C 2.525 180.188 177.584 0.131 0.000 1.181 547 A CA 2.114 54.077 52.037 -0.123 0.000 0.627 547 A CB -0.719 18.188 19.000 -0.156 0.000 0.818 547 A HN 0.561 nan 8.150 nan 0.000 0.445 548 R N -0.958 119.596 120.500 0.090 0.000 2.096 548 R HA -0.117 4.398 4.340 0.292 0.000 0.235 548 R C 1.998 178.365 176.300 0.112 0.000 1.127 548 R CA 1.652 57.813 56.100 0.102 0.000 0.968 548 R CB -0.378 29.964 30.300 0.070 0.000 0.861 548 R HN 0.456 nan 8.270 nan 0.000 0.440 549 L N 0.547 121.833 121.223 0.104 0.000 2.109 549 L HA -0.024 4.492 4.340 0.292 0.000 0.207 549 L C 1.790 178.754 176.870 0.157 0.000 1.086 549 L CA 1.494 56.416 54.840 0.136 0.000 0.760 549 L CB -0.245 41.896 42.059 0.137 0.000 0.910 549 L HN 0.236 nan 8.230 nan 0.000 0.437 550 L N -1.039 120.281 121.223 0.161 0.000 2.046 550 L HA -0.226 4.290 4.340 0.292 0.000 0.208 550 L C 2.348 179.468 176.870 0.416 0.000 1.077 550 L CA 1.231 56.273 54.840 0.337 0.000 0.747 550 L CB -0.524 41.788 42.059 0.421 0.000 0.896 550 L HN 0.280 nan 8.230 nan 0.000 0.432 551 L N -0.404 120.993 121.223 0.290 0.000 2.465 551 L HA -0.081 4.434 4.340 0.292 0.000 0.224 551 L C 2.120 179.054 176.870 0.107 0.000 1.145 551 L CA 0.358 55.302 54.840 0.173 0.000 0.834 551 L CB -0.265 41.846 42.059 0.087 0.000 0.944 551 L HN 0.274 nan 8.230 nan 0.000 0.451 552 V N -4.750 115.217 119.914 0.087 0.000 3.590 552 V HA 0.084 4.380 4.120 0.292 0.000 0.265 552 V C 1.273 177.276 176.094 -0.151 0.000 1.239 552 V CA 0.200 62.503 62.300 0.005 0.000 1.117 552 V CB -0.352 31.502 31.823 0.052 0.000 0.818 552 V HN 0.370 nan 8.190 nan 0.000 0.451 553 T N 0.806 115.228 114.554 -0.220 0.000 2.913 553 T HA 0.229 4.755 4.350 0.292 0.000 0.297 553 T C 0.130 174.438 174.700 -0.654 0.000 1.029 553 T CA -0.421 61.264 62.100 -0.692 0.000 1.104 553 T CB 0.739 69.059 68.868 -0.913 0.000 0.964 553 T HN 0.347 nan 8.240 nan 0.000 0.532 554 K N 3.905 123.859 120.400 -0.743 0.000 2.183 554 K HA 0.089 4.584 4.320 0.292 0.000 0.272 554 K C 0.178 176.505 176.600 -0.454 0.000 1.113 554 K CA -0.095 55.916 56.287 -0.460 0.000 0.949 554 K CB 0.196 32.452 32.500 -0.407 0.000 1.365 554 K HN 0.805 nan 8.250 nan 0.000 0.420 555 W N 1.331 122.492 121.300 -0.232 0.000 2.611 555 W HA -0.125 4.710 4.660 0.292 0.000 0.251 555 W C 1.510 177.877 176.519 -0.253 0.000 1.265 555 W CA 0.377 57.548 57.345 -0.290 0.000 1.295 555 W CB -0.102 29.088 29.460 -0.450 0.000 1.129 555 W HN 0.527 nan 8.180 nan 0.000 0.630 556 N N 0.229 118.912 118.700 -0.028 0.000 2.313 556 N HA -0.004 4.911 4.740 0.292 0.000 0.207 556 N C -0.297 175.184 175.510 -0.049 0.000 1.141 556 N CA 0.430 53.462 53.050 -0.029 0.000 0.830 556 N CB -0.102 38.365 38.487 -0.034 0.000 1.008 556 N HN -0.162 nan 8.380 nan 0.000 0.481 557 K N 0.914 121.252 120.400 -0.103 0.000 2.578 557 K HA 0.120 4.615 4.320 0.292 0.000 0.250 557 K C 0.694 177.210 176.600 -0.140 0.000 0.955 557 K CA -0.515 55.683 56.287 -0.149 0.000 0.825 557 K CB 1.120 33.491 32.500 -0.216 0.000 1.151 557 K HN 0.280 nan 8.250 nan 0.000 0.432 558 H N 1.311 120.386 119.070 0.009 0.000 2.395 558 H HA 0.052 4.783 4.556 0.292 0.000 0.299 558 H C 0.546 175.890 175.328 0.027 0.000 1.070 558 H CA 1.134 57.208 56.048 0.043 0.000 1.356 558 H CB 0.467 30.276 29.762 0.077 0.000 1.401 558 H HN 0.565 nan 8.280 nan 0.000 0.524 559 E N 0.982 121.024 120.200 -0.264 0.000 2.085 559 E HA -0.162 4.364 4.350 0.292 0.000 0.194 559 E C 1.686 178.281 176.600 -0.009 0.000 0.994 559 E CA 1.610 57.968 56.400 -0.070 0.000 0.801 559 E CB 0.021 29.645 29.700 -0.127 0.000 0.743 559 E HN 0.558 nan 8.360 nan 0.000 0.453 560 D N -0.030 120.318 120.400 -0.087 0.000 2.144 560 D HA -0.122 4.693 4.640 0.292 0.000 0.200 560 D C 1.967 178.204 176.300 -0.106 0.000 0.978 560 D CA 0.688 54.634 54.000 -0.090 0.000 0.833 560 D CB -0.067 40.471 40.800 -0.437 0.000 0.961 560 D HN -0.016 nan 8.370 nan 0.000 0.470 561 V N 0.995 120.801 119.914 -0.179 0.000 2.358 561 V HA -0.225 4.070 4.120 0.292 0.000 0.246 561 V C 2.432 178.530 176.094 0.006 0.000 1.047 561 V CA 1.708 63.901 62.300 -0.180 0.000 1.035 561 V CB -0.845 30.965 31.823 -0.022 0.000 0.658 561 V HN 0.221 nan 8.190 nan 0.000 0.452 562 A N -0.588 122.273 122.820 0.069 0.000 1.883 562 A HA -0.333 4.163 4.320 0.292 0.000 0.217 562 A C 2.179 179.818 177.584 0.091 0.000 1.186 562 A CA 2.241 54.327 52.037 0.082 0.000 0.624 562 A CB -0.535 18.509 19.000 0.074 0.000 0.822 562 A HN 0.631 nan 8.150 nan 0.000 0.444 563 Q N -2.002 117.865 119.800 0.112 0.000 2.167 563 Q HA -0.147 4.368 4.340 0.292 0.000 0.202 563 Q C 2.094 178.175 176.000 0.136 0.000 0.970 563 Q CA 1.575 57.451 55.803 0.122 0.000 0.855 563 Q CB -0.238 28.581 28.738 0.136 0.000 0.911 563 Q HN 0.674 nan 8.270 nan 0.000 0.438 564 M N 0.226 119.926 119.600 0.166 0.000 2.099 564 M HA -0.108 4.547 4.480 0.292 0.000 0.262 564 M C 1.536 177.871 176.300 0.059 0.000 1.067 564 M CA 1.448 56.812 55.300 0.105 0.000 1.124 564 M CB -0.239 32.351 32.600 -0.017 0.000 1.353 564 M HN 0.138 nan 8.290 nan 0.000 0.410 565 L N -0.661 120.593 121.223 0.052 0.000 2.083 565 L HA -0.177 4.338 4.340 0.292 0.000 0.209 565 L C 2.368 179.247 176.870 0.015 0.000 1.083 565 L CA 1.758 56.599 54.840 0.003 0.000 0.752 565 L CB -1.812 40.211 42.059 -0.060 0.000 0.899 565 L HN 0.496 nan 8.230 nan 0.000 0.433 566 Y N -0.217 120.062 120.300 -0.035 0.000 2.128 566 Y HA -0.254 4.472 4.550 0.292 0.000 0.284 566 Y C 2.361 178.273 175.900 0.020 0.000 1.154 566 Y CA 1.618 59.708 58.100 -0.017 0.000 1.149 566 Y CB -0.229 38.225 38.460 -0.010 0.000 0.976 566 Y HN 0.097 nan 8.280 nan 0.000 0.505 567 L N -0.771 120.469 121.223 0.027 0.000 2.046 567 L HA -0.204 4.311 4.340 0.292 0.000 0.208 567 L C 2.409 179.363 176.870 0.139 0.000 1.077 567 L CA 1.107 55.968 54.840 0.034 0.000 0.747 567 L CB -0.713 41.453 42.059 0.177 0.000 0.896 567 L HN 0.324 nan 8.230 nan 0.000 0.432 568 L N -0.489 120.778 121.223 0.074 0.000 2.083 568 L HA -0.208 4.307 4.340 0.292 0.000 0.209 568 L C 2.471 179.370 176.870 0.049 0.000 1.083 568 L CA 1.672 56.503 54.840 -0.016 0.000 0.752 568 L CB -0.567 41.406 42.059 -0.143 0.000 0.899 568 L HN 0.240 nan 8.230 nan 0.000 0.433 569 C N -0.572 118.721 119.300 -0.012 0.000 2.419 569 C HA -0.048 4.587 4.460 0.292 0.000 0.283 569 C C 2.619 177.612 174.990 0.005 0.000 1.373 569 C CA 1.020 60.038 59.018 -0.001 0.000 1.781 569 C CB -1.408 26.288 27.740 -0.073 0.000 1.886 569 C HN 0.791 nan 8.230 nan 0.000 0.520 570 S N -2.397 113.278 115.700 -0.043 0.000 2.568 570 S HA 0.086 4.731 4.470 0.292 0.000 0.232 570 S C 0.105 174.732 174.600 0.044 0.000 0.975 570 S CA -0.419 57.754 58.200 -0.046 0.000 0.949 570 S CB -0.248 62.842 63.200 -0.183 0.000 0.829 570 S HN 0.645 nan 8.310 nan 0.000 0.479 571 W N 4.702 125.990 121.300 -0.020 0.000 2.253 571 W HA 0.311 5.146 4.660 0.292 0.000 0.322 571 W C -2.570 174.061 176.519 0.187 0.000 1.342 571 W CA -1.956 55.403 57.345 0.024 0.000 1.218 571 W CB 0.737 30.110 29.460 -0.145 0.000 1.205 571 W HN 0.151 nan 8.180 nan 0.000 0.551 572 P HA -0.018 nan 4.420 nan 0.000 0.269 572 P C -0.509 177.033 177.300 0.405 0.000 1.215 572 P CA 0.429 63.646 63.100 0.195 0.000 0.780 572 P CB 0.762 32.480 31.700 0.029 0.000 0.898 573 E N 0.583 120.882 120.200 0.165 0.000 2.437 573 E HA 0.111 4.636 4.350 0.292 0.000 0.263 573 E C -0.079 176.590 176.600 0.114 0.000 1.030 573 E CA 0.033 56.443 56.400 0.016 0.000 0.934 573 E CB 0.216 29.872 29.700 -0.072 0.000 0.943 573 E HN 0.339 nan 8.360 nan 0.000 0.444 574 L N 3.429 124.697 121.223 0.075 0.000 2.332 574 L HA 0.455 4.970 4.340 0.292 0.000 0.269 574 L C -2.179 174.716 176.870 0.041 0.000 1.016 574 L CA -2.457 52.458 54.840 0.126 0.000 0.809 574 L CB 1.020 43.204 42.059 0.208 0.000 1.280 574 L HN 0.275 nan 8.230 nan 0.000 0.447 575 P HA 0.013 nan 4.420 nan 0.000 0.271 575 P C 0.858 178.172 177.300 0.023 0.000 1.233 575 P CA -0.314 62.810 63.100 0.039 0.000 0.789 575 P CB 0.690 32.423 31.700 0.055 0.000 0.951 576 V N 1.222 121.152 119.914 0.027 0.000 2.282 576 V HA -0.248 4.047 4.120 0.292 0.000 0.249 576 V C 2.249 178.350 176.094 0.011 0.000 1.057 576 V CA 1.890 64.205 62.300 0.026 0.000 1.032 576 V CB -1.076 30.794 31.823 0.079 0.000 0.645 576 V HN 0.511 nan 8.190 nan 0.000 0.447 577 L N 0.191 121.436 121.223 0.037 0.000 1.997 577 L HA -0.215 4.300 4.340 0.292 0.000 0.216 577 L C 2.571 179.491 176.870 0.082 0.000 1.074 577 L CA 2.577 57.456 54.840 0.065 0.000 0.763 577 L CB -0.813 41.295 42.059 0.082 0.000 0.890 577 L HN 0.348 nan 8.230 nan 0.000 0.434 578 S N -0.364 115.365 115.700 0.049 0.000 2.368 578 S HA -0.166 4.479 4.470 0.292 0.000 0.225 578 S C 2.081 176.626 174.600 -0.091 0.000 1.030 578 S CA 1.099 59.298 58.200 -0.002 0.000 0.999 578 S CB -0.726 62.499 63.200 0.042 0.000 0.844 578 S HN 0.669 nan 8.310 nan 0.000 0.459 579 A N 1.372 124.152 122.820 -0.067 0.000 1.972 579 A HA -0.012 4.484 4.320 0.292 0.000 0.219 579 A C 2.091 179.593 177.584 -0.137 0.000 1.169 579 A CA 1.112 53.087 52.037 -0.104 0.000 0.635 579 A CB -0.699 18.235 19.000 -0.109 0.000 0.810 579 A HN 0.462 nan 8.150 nan 0.000 0.446 580 L N -0.984 120.161 121.223 -0.131 0.000 2.141 580 L HA -0.171 4.344 4.340 0.292 0.000 0.209 580 L C 2.592 179.341 176.870 -0.201 0.000 1.094 580 L CA 1.583 56.337 54.840 -0.143 0.000 0.763 580 L CB -0.416 41.554 42.059 -0.148 0.000 0.908 580 L HN 0.563 nan 8.230 nan 0.000 0.437 581 E N 0.731 120.698 120.200 -0.389 0.000 2.077 581 E HA -0.221 4.305 4.350 0.292 0.000 0.193 581 E C 2.243 178.697 176.600 -0.243 0.000 0.989 581 E CA 1.037 57.135 56.400 -0.504 0.000 0.800 581 E CB -0.019 29.240 29.700 -0.735 0.000 0.746 581 E HN 0.482 nan 8.360 nan 0.000 0.452 582 L N 0.711 121.717 121.223 -0.362 0.000 2.456 582 L HA -0.103 4.413 4.340 0.292 0.000 0.224 582 L C 2.079 178.885 176.870 -0.106 0.000 1.148 582 L CA 0.277 54.814 54.840 -0.506 0.000 0.825 582 L CB -0.099 41.710 42.059 -0.417 0.000 0.937 582 L HN 0.223 nan 8.230 nan 0.000 0.450 583 L N -0.858 120.353 121.223 -0.020 0.000 2.554 583 L HA -0.002 4.513 4.340 0.292 0.000 0.226 583 L C 0.674 177.647 176.870 0.172 0.000 1.137 583 L CA -0.144 54.736 54.840 0.067 0.000 0.863 583 L CB -0.357 41.722 42.059 0.033 0.000 0.985 583 L HN 0.191 nan 8.230 nan 0.000 0.451 584 D N -0.542 119.989 120.400 0.219 0.000 2.423 584 D HA -0.158 4.658 4.640 0.292 0.000 0.238 584 D C 0.969 177.286 176.300 0.029 0.000 1.142 584 D CA 0.032 54.142 54.000 0.183 0.000 0.884 584 D CB 0.634 41.532 40.800 0.165 0.000 1.199 584 D HN 0.031 nan 8.370 nan 0.000 0.438 585 F N 2.060 121.762 119.950 -0.412 0.000 2.287 585 F HA -0.164 4.539 4.527 0.293 0.000 0.301 585 F C 2.130 177.589 175.800 -0.569 0.000 1.069 585 F CA 1.112 58.665 58.000 -0.746 0.000 1.372 585 F CB -0.222 37.971 39.000 -1.345 0.000 1.056 585 F HN 0.284 nan 8.300 nan 0.000 0.523 586 S N -0.492 114.815 115.700 -0.656 0.000 2.537 586 S HA -0.088 4.558 4.470 0.292 0.000 0.240 586 S C 0.258 174.109 174.600 -1.247 0.000 0.981 586 S CA 0.492 58.109 58.200 -0.972 0.000 0.948 586 S CB -0.621 61.954 63.200 -1.041 0.000 0.759 586 S HN 0.289 nan 8.310 nan 0.000 0.531 587 F N 1.169 120.847 119.950 -0.454 0.000 2.471 587 F HA 0.346 5.048 4.527 0.292 0.000 0.318 587 F C -1.823 173.680 175.800 -0.495 0.000 1.308 587 F CA -2.332 55.411 58.000 -0.429 0.000 1.162 587 F CB 0.907 39.756 39.000 -0.251 0.000 1.383 587 F HN -0.034 nan 8.300 nan 0.000 0.552 588 P HA -0.088 nan 4.420 nan 0.000 0.231 588 P C 0.222 177.259 177.300 -0.439 0.000 1.168 588 P CA 0.564 63.280 63.100 -0.641 0.000 0.779 588 P CB 0.239 31.318 31.700 -1.035 0.000 0.844 589 D N -0.102 120.047 120.400 -0.419 0.000 2.443 589 D HA -0.037 4.778 4.640 0.292 0.000 0.239 589 D C 1.479 177.732 176.300 -0.079 0.000 1.136 589 D CA -0.158 53.739 54.000 -0.172 0.000 0.879 589 D CB 0.799 41.552 40.800 -0.079 0.000 1.195 589 D HN 0.123 nan 8.370 nan 0.000 0.443 590 C N 2.853 122.093 119.300 -0.099 0.000 2.435 590 C HA -0.078 4.558 4.460 0.292 0.000 0.279 590 C C 2.221 177.123 174.990 -0.147 0.000 1.321 590 C CA 0.172 59.097 59.018 -0.154 0.000 1.752 590 C CB -1.626 25.965 27.740 -0.249 0.000 1.959 590 C HN 0.721 nan 8.230 nan 0.000 0.500 591 Y N 1.833 122.164 120.300 0.051 0.000 2.200 591 Y HA -0.042 4.684 4.550 0.292 0.000 0.290 591 Y C 2.851 178.800 175.900 0.081 0.000 1.137 591 Y CA 1.629 59.776 58.100 0.078 0.000 1.163 591 Y CB -0.885 37.636 38.460 0.103 0.000 0.988 591 Y HN 0.181 nan 8.280 nan 0.000 0.518 592 V N -0.396 119.635 119.914 0.196 0.000 2.295 592 V HA -0.262 4.033 4.120 0.292 0.000 0.246 592 V C 2.570 178.715 176.094 0.085 0.000 1.049 592 V CA 1.974 64.329 62.300 0.092 0.000 1.024 592 V CB -1.461 30.382 31.823 0.034 0.000 0.648 592 V HN 0.549 nan 8.190 nan 0.000 0.447 593 G N -1.075 107.750 108.800 0.041 0.000 2.440 593 G HA2 -0.319 3.816 3.960 0.292 0.000 0.218 593 G HA3 -0.319 3.816 3.960 0.292 0.000 0.218 593 G C 1.938 176.852 174.900 0.023 0.000 1.154 593 G CA 1.351 46.462 45.100 0.018 0.000 0.767 593 G HN 0.487 nan 8.290 nan 0.000 0.552 594 S N -0.458 115.271 115.700 0.049 0.000 2.368 594 S HA -0.081 4.564 4.470 0.292 0.000 0.224 594 S C 2.033 176.671 174.600 0.062 0.000 1.029 594 S CA 1.250 59.477 58.200 0.045 0.000 0.988 594 S CB -0.404 62.837 63.200 0.067 0.000 0.838 594 S HN 0.369 nan 8.310 nan 0.000 0.462 595 F N 2.386 122.327 119.950 -0.015 0.000 2.095 595 F HA -0.089 4.614 4.527 0.292 0.000 0.298 595 F C 2.292 178.038 175.800 -0.090 0.000 1.104 595 F CA 1.439 59.415 58.000 -0.039 0.000 1.232 595 F CB -0.855 38.114 39.000 -0.051 0.000 0.987 595 F HN 0.273 nan 8.300 nan 0.000 0.475 596 A N 0.991 123.842 122.820 0.051 0.000 1.873 596 A HA -0.211 4.285 4.320 0.292 0.000 0.218 596 A C 2.211 179.660 177.584 -0.224 0.000 1.193 596 A CA 2.022 54.007 52.037 -0.088 0.000 0.629 596 A CB -1.144 17.819 19.000 -0.061 0.000 0.826 596 A HN 0.421 nan 8.150 nan 0.000 0.447 597 I N 0.028 120.463 120.570 -0.225 0.000 2.163 597 I HA -0.253 4.093 4.170 0.292 0.000 0.243 597 I C 2.400 178.294 176.117 -0.371 0.000 1.085 597 I CA 2.125 63.204 61.300 -0.369 0.000 1.347 597 I CB -1.223 36.603 38.000 -0.290 0.000 1.044 597 I HN 0.476 nan 8.210 nan 0.000 0.408 598 K N 0.733 120.965 120.400 -0.279 0.000 2.063 598 K HA -0.167 4.329 4.320 0.292 0.000 0.208 598 K C 2.198 178.620 176.600 -0.296 0.000 1.048 598 K CA 1.869 58.001 56.287 -0.259 0.000 0.928 598 K CB 0.039 32.389 32.500 -0.251 0.000 0.713 598 K HN 0.128 nan 8.250 nan 0.000 0.442 599 S N 0.633 116.094 115.700 -0.400 0.000 2.453 599 S HA 0.028 4.673 4.470 0.292 0.000 0.231 599 S C 1.550 176.033 174.600 -0.195 0.000 1.005 599 S CA 0.584 58.599 58.200 -0.308 0.000 0.949 599 S CB 0.010 62.996 63.200 -0.356 0.000 0.774 599 S HN 0.271 nan 8.310 nan 0.000 0.510 600 L N 0.680 121.755 121.223 -0.247 0.000 2.492 600 L HA 0.136 4.651 4.340 0.292 0.000 0.223 600 L C 2.336 179.119 176.870 -0.144 0.000 1.132 600 L CA 0.328 55.039 54.840 -0.214 0.000 0.850 600 L CB -0.210 41.633 42.059 -0.359 0.000 0.966 600 L HN 0.178 nan 8.230 nan 0.000 0.454 601 R N 1.055 121.468 120.500 -0.145 0.000 2.127 601 R HA -0.181 4.334 4.340 0.292 0.000 0.238 601 R C 1.988 178.361 176.300 0.123 0.000 1.134 601 R CA 1.383 57.530 56.100 0.078 0.000 0.975 601 R CB -0.215 30.116 30.300 0.052 0.000 0.865 601 R HN 0.446 nan 8.270 nan 0.000 0.447 602 K N 0.815 121.245 120.400 0.051 0.000 2.555 602 K HA 0.001 4.496 4.320 0.292 0.000 0.193 602 K C 0.282 176.932 176.600 0.084 0.000 1.032 602 K CA 0.322 56.644 56.287 0.059 0.000 1.004 602 K CB -0.104 32.412 32.500 0.027 0.000 0.804 602 K HN 0.103 nan 8.250 nan 0.000 0.496 603 L N 3.802 125.099 121.223 0.124 0.000 2.601 603 L HA -0.040 4.475 4.340 0.292 0.000 0.277 603 L C 0.873 177.807 176.870 0.107 0.000 1.219 603 L CA 0.030 54.953 54.840 0.138 0.000 0.915 603 L CB 0.190 42.381 42.059 0.220 0.000 1.160 603 L HN 0.355 nan 8.230 nan 0.000 0.494 604 T N -1.333 113.258 114.554 0.060 0.000 2.856 604 T HA 0.002 4.527 4.350 0.292 0.000 0.306 604 T C 0.928 175.645 174.700 0.029 0.000 1.062 604 T CA -0.804 61.318 62.100 0.036 0.000 1.083 604 T CB 0.888 69.761 68.868 0.009 0.000 0.984 604 T HN 0.526 nan 8.240 nan 0.000 0.542 605 D N 0.695 121.107 120.400 0.021 0.000 2.149 605 D HA -0.108 4.707 4.640 0.292 0.000 0.198 605 D C 1.661 177.972 176.300 0.018 0.000 0.990 605 D CA 1.238 55.248 54.000 0.016 0.000 0.839 605 D CB -0.167 40.631 40.800 -0.003 0.000 0.948 605 D HN 0.617 nan 8.370 nan 0.000 0.460 606 D N 0.610 121.003 120.400 -0.010 0.000 2.117 606 D HA -0.102 4.714 4.640 0.292 0.000 0.198 606 D C 1.962 178.208 176.300 -0.090 0.000 0.982 606 D CA 0.677 54.670 54.000 -0.012 0.000 0.828 606 D CB -0.126 40.647 40.800 -0.045 0.000 0.967 606 D HN 0.390 nan 8.370 nan 0.000 0.464 607 E N 0.122 120.225 120.200 -0.162 0.000 2.072 607 E HA -0.147 4.378 4.350 0.292 0.000 0.191 607 E C 2.077 178.388 176.600 -0.481 0.000 0.985 607 E CA 0.277 56.435 56.400 -0.404 0.000 0.801 607 E CB -0.050 29.525 29.700 -0.209 0.000 0.750 607 E HN 0.087 nan 8.360 nan 0.000 0.452 608 L N 0.752 121.901 121.223 -0.123 0.000 2.012 608 L HA -0.174 4.341 4.340 0.292 0.000 0.210 608 L C 2.082 178.949 176.870 -0.004 0.000 1.073 608 L CA 1.646 56.493 54.840 0.012 0.000 0.748 608 L CB -0.762 41.354 42.059 0.094 0.000 0.891 608 L HN 0.074 nan 8.230 nan 0.000 0.431 609 F N 0.599 120.466 119.950 -0.139 0.000 2.095 609 F HA -0.278 4.424 4.527 0.291 0.000 0.298 609 F C 2.618 178.296 175.800 -0.203 0.000 1.104 609 F CA 2.155 60.072 58.000 -0.138 0.000 1.232 609 F CB -0.722 38.191 39.000 -0.145 0.000 0.987 609 F HN 0.341 nan 8.300 nan 0.000 0.475 610 Q N -0.429 119.060 119.800 -0.520 0.000 2.181 610 Q HA -0.216 4.300 4.340 0.292 0.000 0.205 610 Q C 1.256 177.008 176.000 -0.412 0.000 0.980 610 Q CA 1.935 57.357 55.803 -0.636 0.000 0.862 610 Q CB -0.622 27.703 28.738 -0.687 0.000 0.905 610 Q HN 0.578 nan 8.270 nan 0.000 0.429 611 Y N -0.953 119.232 120.300 -0.192 0.000 2.485 611 Y HA 0.181 4.906 4.550 0.292 0.000 0.260 611 Y C 1.205 177.035 175.900 -0.116 0.000 1.173 611 Y CA -0.610 57.403 58.100 -0.146 0.000 1.252 611 Y CB -0.367 38.047 38.460 -0.077 0.000 1.123 611 Y HN 0.108 nan 8.280 nan 0.000 0.524 612 L N 0.359 121.569 121.223 -0.022 0.000 2.046 612 L HA -0.181 4.335 4.340 0.292 0.000 0.208 612 L C 2.191 179.037 176.870 -0.039 0.000 1.077 612 L CA 1.473 56.339 54.840 0.043 0.000 0.747 612 L CB -0.859 41.282 42.059 0.138 0.000 0.896 612 L HN 0.292 nan 8.230 nan 0.000 0.432 613 L N -0.728 120.383 121.223 -0.187 0.000 2.042 613 L HA -0.255 4.260 4.340 0.292 0.000 0.210 613 L C 2.372 179.099 176.870 -0.239 0.000 1.076 613 L CA 1.837 56.438 54.840 -0.398 0.000 0.749 613 L CB -0.736 41.084 42.059 -0.399 0.000 0.893 613 L HN 0.366 nan 8.230 nan 0.000 0.432 614 Q N -0.740 118.973 119.800 -0.145 0.000 2.083 614 Q HA -0.043 4.472 4.340 0.292 0.000 0.198 614 Q C 2.228 178.184 176.000 -0.072 0.000 0.969 614 Q CA 1.710 57.444 55.803 -0.115 0.000 0.838 614 Q CB -0.367 28.313 28.738 -0.097 0.000 0.900 614 Q HN 0.509 nan 8.270 nan 0.000 0.436 615 L N -0.543 120.671 121.223 -0.014 0.000 2.083 615 L HA -0.185 4.330 4.340 0.292 0.000 0.209 615 L C 2.107 178.975 176.870 -0.003 0.000 1.083 615 L CA 0.726 55.584 54.840 0.029 0.000 0.752 615 L CB -0.496 41.630 42.059 0.111 0.000 0.899 615 L HN 0.113 nan 8.230 nan 0.000 0.433 616 V N -0.801 119.087 119.914 -0.043 0.000 2.343 616 V HA -0.276 4.019 4.120 0.292 0.000 0.247 616 V C 2.571 178.628 176.094 -0.062 0.000 1.051 616 V CA 1.482 63.728 62.300 -0.089 0.000 1.036 616 V CB -0.517 31.225 31.823 -0.134 0.000 0.654 616 V HN 0.468 nan 8.190 nan 0.000 0.451 617 Q N -0.294 119.445 119.800 -0.102 0.000 2.124 617 Q HA -0.133 4.382 4.340 0.292 0.000 0.202 617 Q C 2.358 178.215 176.000 -0.239 0.000 0.977 617 Q CA 1.403 57.122 55.803 -0.140 0.000 0.850 617 Q CB -0.826 27.800 28.738 -0.186 0.000 0.901 617 Q HN 0.550 nan 8.270 nan 0.000 0.429 618 V N 1.376 121.172 119.914 -0.197 0.000 2.688 618 V HA -0.233 4.062 4.120 0.292 0.000 0.256 618 V C 2.326 178.360 176.094 -0.100 0.000 1.084 618 V CA 1.062 63.244 62.300 -0.197 0.000 1.103 618 V CB -0.650 31.173 31.823 -0.001 0.000 0.688 618 V HN 0.292 nan 8.190 nan 0.000 0.480 619 L N -0.430 120.780 121.223 -0.021 0.000 2.129 619 L HA -0.242 4.274 4.340 0.292 0.000 0.212 619 L C 2.436 179.324 176.870 0.030 0.000 1.087 619 L CA 1.647 56.528 54.840 0.069 0.000 0.757 619 L CB -0.627 41.535 42.059 0.171 0.000 0.896 619 L HN 0.305 nan 8.230 nan 0.000 0.434 620 K N -1.035 119.311 120.400 -0.091 0.000 2.360 620 K HA -0.153 4.342 4.320 0.292 0.000 0.201 620 K C 1.459 177.973 176.600 -0.143 0.000 1.046 620 K CA 0.933 57.104 56.287 -0.194 0.000 0.945 620 K CB -0.016 32.297 32.500 -0.311 0.000 0.750 620 K HN 0.249 nan 8.250 nan 0.000 0.464 621 Y N 1.346 121.601 120.300 -0.075 0.000 2.500 621 Y HA 0.112 4.838 4.550 0.293 0.000 0.270 621 Y C 0.533 176.429 175.900 -0.007 0.000 1.134 621 Y CA -0.345 57.716 58.100 -0.064 0.000 1.293 621 Y CB 0.024 38.515 38.460 0.052 0.000 1.063 621 Y HN -0.096 nan 8.280 nan 0.000 0.534 622 E N 0.027 120.302 120.200 0.124 0.000 2.392 622 E HA 0.050 4.575 4.350 0.292 0.000 0.264 622 E C 0.809 177.392 176.600 -0.027 0.000 1.024 622 E CA 0.155 56.595 56.400 0.066 0.000 0.903 622 E CB 1.411 31.153 29.700 0.070 0.000 0.963 622 E HN 0.102 nan 8.360 nan 0.000 0.432 623 S N 1.851 117.472 115.700 -0.132 0.000 2.425 623 S HA 0.009 4.654 4.470 0.292 0.000 0.225 623 S C -0.026 174.198 174.600 -0.626 0.000 1.024 623 S CA 0.726 58.668 58.200 -0.430 0.000 0.951 623 S CB 0.069 62.865 63.200 -0.674 0.000 0.796 623 S HN 0.382 nan 8.310 nan 0.000 0.498 624 Y N -0.692 119.643 120.300 0.058 0.000 2.602 624 Y HA 0.482 5.208 4.550 0.292 0.000 0.342 624 Y C 0.862 176.777 175.900 0.024 0.000 1.029 624 Y CA -1.093 57.040 58.100 0.056 0.000 1.080 624 Y CB 0.733 39.257 38.460 0.106 0.000 1.284 624 Y HN -0.191 nan 8.280 nan 0.000 0.485 625 L N -0.029 121.285 121.223 0.152 0.000 2.044 625 L HA -0.036 4.479 4.340 0.292 0.000 0.205 625 L C 0.305 177.305 176.870 0.218 0.000 1.075 625 L CA 1.179 56.005 54.840 -0.024 0.000 0.747 625 L CB -0.019 41.878 42.059 -0.269 0.000 0.903 625 L HN 0.567 nan 8.230 nan 0.000 0.435 626 D N 0.437 121.054 120.400 0.362 0.000 2.339 626 D HA 0.267 5.082 4.640 0.292 0.000 0.241 626 D C -0.626 175.805 176.300 0.218 0.000 1.183 626 D CA -0.261 53.955 54.000 0.360 0.000 0.859 626 D CB 0.604 41.553 40.800 0.249 0.000 1.067 626 D HN 0.248 nan 8.370 nan 0.000 0.484 627 C N 2.392 121.800 119.300 0.179 0.000 3.241 627 C HA 0.503 5.138 4.460 0.292 0.000 0.312 627 C C 1.295 176.327 174.990 0.070 0.000 1.350 627 C CA -0.770 58.321 59.018 0.121 0.000 1.415 627 C CB 1.751 29.577 27.740 0.143 0.000 1.770 627 C HN 0.494 nan 8.230 nan 0.000 0.466 628 E N 0.192 120.417 120.200 0.043 0.000 2.153 628 E HA -0.158 4.368 4.350 0.292 0.000 0.194 628 E C 1.717 178.360 176.600 0.072 0.000 0.988 628 E CA 1.173 57.588 56.400 0.024 0.000 0.811 628 E CB -0.152 29.548 29.700 0.001 0.000 0.746 628 E HN 0.749 nan 8.360 nan 0.000 0.466 629 L N 1.002 122.278 121.223 0.089 0.000 2.027 629 L HA -0.111 4.404 4.340 0.292 0.000 0.206 629 L C 2.190 179.172 176.870 0.186 0.000 1.074 629 L CA 1.855 56.781 54.840 0.144 0.000 0.745 629 L CB -0.887 41.238 42.059 0.110 0.000 0.898 629 L HN -0.013 nan 8.230 nan 0.000 0.433 630 T N -0.411 114.228 114.554 0.142 0.000 2.684 630 T HA -0.244 4.281 4.350 0.292 0.000 0.267 630 T C 1.852 176.611 174.700 0.098 0.000 1.036 630 T CA 1.872 64.058 62.100 0.144 0.000 1.148 630 T CB -0.213 68.785 68.868 0.217 0.000 0.863 630 T HN 0.289 nan 8.240 nan 0.000 0.436 631 K N 0.705 121.113 120.400 0.013 0.000 2.057 631 K HA -0.079 4.416 4.320 0.292 0.000 0.207 631 K C 1.910 178.511 176.600 0.001 0.000 1.049 631 K CA 1.234 57.416 56.287 -0.176 0.000 0.931 631 K CB -0.633 31.670 32.500 -0.330 0.000 0.714 631 K HN 0.279 nan 8.250 nan 0.000 0.440 632 F N 1.216 121.150 119.950 -0.027 0.000 2.069 632 F HA -0.164 4.538 4.527 0.292 0.000 0.298 632 F C 1.570 177.426 175.800 0.094 0.000 1.113 632 F CA 1.742 59.767 58.000 0.043 0.000 1.214 632 F CB -0.392 38.626 39.000 0.030 0.000 0.978 632 F HN 0.010 nan 8.300 nan 0.000 0.474 633 L N -0.692 120.555 121.223 0.041 0.000 2.046 633 L HA -0.225 4.290 4.340 0.292 0.000 0.208 633 L C 2.434 179.302 176.870 -0.003 0.000 1.077 633 L CA 0.648 55.452 54.840 -0.059 0.000 0.747 633 L CB -0.835 41.260 42.059 0.060 0.000 0.896 633 L HN 0.225 nan 8.230 nan 0.000 0.432 634 L N 0.220 121.511 121.223 0.112 0.000 2.046 634 L HA -0.094 4.421 4.340 0.292 0.000 0.208 634 L C 2.504 179.541 176.870 0.279 0.000 1.077 634 L CA 2.077 57.060 54.840 0.238 0.000 0.747 634 L CB -1.455 40.783 42.059 0.299 0.000 0.896 634 L HN 0.189 nan 8.230 nan 0.000 0.432 635 G N -1.218 107.777 108.800 0.326 0.000 2.418 635 G HA2 -0.228 3.907 3.960 0.292 0.000 0.217 635 G HA3 -0.228 3.907 3.960 0.292 0.000 0.217 635 G C 1.697 176.618 174.900 0.035 0.000 1.158 635 G CA 0.246 45.493 45.100 0.244 0.000 0.771 635 G HN 0.210 nan 8.290 nan 0.000 0.545 636 R N 0.829 121.261 120.500 -0.113 0.000 2.096 636 R HA 0.054 4.570 4.340 0.292 0.000 0.235 636 R C 2.876 179.170 176.300 -0.010 0.000 1.127 636 R CA 1.233 57.242 56.100 -0.153 0.000 0.968 636 R CB -1.099 28.962 30.300 -0.398 0.000 0.861 636 R HN 0.358 nan 8.270 nan 0.000 0.440 637 A N 0.921 123.773 122.820 0.054 0.000 1.930 637 A HA -0.045 4.450 4.320 0.292 0.000 0.217 637 A C 2.279 180.050 177.584 0.311 0.000 1.175 637 A CA 0.917 53.055 52.037 0.168 0.000 0.627 637 A CB -0.406 18.697 19.000 0.171 0.000 0.815 637 A HN 0.189 nan 8.150 nan 0.000 0.443 638 L N -1.236 120.133 121.223 0.243 0.000 2.395 638 L HA -0.012 4.503 4.340 0.292 0.000 0.218 638 L C 2.583 179.542 176.870 0.148 0.000 1.130 638 L CA 0.689 55.627 54.840 0.165 0.000 0.826 638 L CB -0.157 41.903 42.059 0.001 0.000 0.941 638 L HN 0.426 nan 8.230 nan 0.000 0.451 639 A N -1.086 121.818 122.820 0.140 0.000 2.238 639 A HA 0.059 4.554 4.320 0.292 0.000 0.210 639 A C 0.649 178.383 177.584 0.249 0.000 1.179 639 A CA 0.191 52.322 52.037 0.156 0.000 0.827 639 A CB 0.001 19.042 19.000 0.069 0.000 0.856 639 A HN 0.345 nan 8.150 nan 0.000 0.488 640 N N -0.401 118.394 118.700 0.158 0.000 2.599 640 N HA 0.146 5.061 4.740 0.292 0.000 0.283 640 N C 0.109 175.491 175.510 -0.213 0.000 1.160 640 N CA -0.387 52.612 53.050 -0.085 0.000 0.869 640 N CB 1.112 39.565 38.487 -0.057 0.000 1.448 640 N HN 0.206 nan 8.380 nan 0.000 0.535 641 R N 2.473 122.573 120.500 -0.667 0.000 2.148 641 R HA -0.049 4.466 4.340 0.292 0.000 0.227 641 R C 1.597 177.720 176.300 -0.294 0.000 1.103 641 R CA 1.239 56.978 56.100 -0.602 0.000 0.983 641 R CB 0.299 29.930 30.300 -1.115 0.000 0.874 641 R HN 0.518 nan 8.270 nan 0.000 0.451 642 K N 0.336 120.578 120.400 -0.264 0.000 2.057 642 K HA -0.095 4.400 4.320 0.292 0.000 0.206 642 K C 1.872 178.530 176.600 0.097 0.000 1.050 642 K CA 1.049 57.269 56.287 -0.112 0.000 0.935 642 K CB 0.058 32.447 32.500 -0.186 0.000 0.715 642 K HN 0.042 nan 8.250 nan 0.000 0.439 643 I N 1.333 121.936 120.570 0.054 0.000 2.208 643 I HA -0.167 4.178 4.170 0.292 0.000 0.245 643 I C 2.479 178.676 176.117 0.134 0.000 1.097 643 I CA 1.743 63.134 61.300 0.150 0.000 1.363 643 I CB -1.809 36.238 38.000 0.078 0.000 1.051 643 I HN 0.388 nan 8.210 nan 0.000 0.413 644 G N -0.300 108.557 108.800 0.095 0.000 2.440 644 G HA2 -0.334 3.801 3.960 0.292 0.000 0.218 644 G HA3 -0.334 3.801 3.960 0.292 0.000 0.218 644 G C 1.660 176.527 174.900 -0.055 0.000 1.154 644 G CA 1.355 46.460 45.100 0.009 0.000 0.767 644 G HN 0.489 nan 8.290 nan 0.000 0.552 645 H N -0.290 118.808 119.070 0.045 0.000 2.293 645 H HA -0.032 4.699 4.556 0.292 0.000 0.300 645 H C 2.180 177.426 175.328 -0.137 0.000 1.082 645 H CA 1.882 57.903 56.048 -0.044 0.000 1.308 645 H CB -0.236 29.417 29.762 -0.181 0.000 1.375 645 H HN 0.327 nan 8.280 nan 0.000 0.495 646 F N -0.481 119.614 119.950 0.243 0.000 2.259 646 F HA -0.044 4.658 4.527 0.292 0.000 0.298 646 F C 2.290 177.977 175.800 -0.189 0.000 1.088 646 F CA 0.654 58.694 58.000 0.066 0.000 1.358 646 F CB -0.496 38.635 39.000 0.217 0.000 1.040 646 F HN 0.229 nan 8.300 nan 0.000 0.505 647 L N -0.429 120.831 121.223 0.061 0.000 2.017 647 L HA -0.212 4.304 4.340 0.292 0.000 0.208 647 L C 2.283 179.036 176.870 -0.195 0.000 1.073 647 L CA 1.656 56.470 54.840 -0.043 0.000 0.745 647 L CB -1.156 40.849 42.059 -0.091 0.000 0.894 647 L HN 0.155 nan 8.230 nan 0.000 0.432 648 F N -0.680 118.996 119.950 -0.457 0.000 2.065 648 F HA -0.297 4.404 4.527 0.291 0.000 0.298 648 F C 1.939 177.432 175.800 -0.512 0.000 1.112 648 F CA 2.195 59.842 58.000 -0.588 0.000 1.212 648 F CB -0.787 37.706 39.000 -0.844 0.000 0.975 648 F HN 0.156 nan 8.300 nan 0.000 0.476 649 W N -0.384 120.747 121.300 -0.283 0.000 2.388 649 W HA -0.185 4.650 4.660 0.292 0.000 0.294 649 W C 2.724 179.117 176.519 -0.210 0.000 1.212 649 W CA 1.264 58.434 57.345 -0.291 0.000 1.271 649 W CB -0.622 28.722 29.460 -0.194 0.000 1.126 649 W HN 0.091 nan 8.180 nan 0.000 0.535 650 H N -0.003 119.119 119.070 0.087 0.000 2.353 650 H HA -0.120 4.611 4.556 0.292 0.000 0.300 650 H C 2.178 177.442 175.328 -0.107 0.000 1.090 650 H CA 1.577 57.636 56.048 0.019 0.000 1.327 650 H CB -0.906 28.852 29.762 -0.008 0.000 1.383 650 H HN 0.229 nan 8.280 nan 0.000 0.508 651 L N -0.042 121.063 121.223 -0.197 0.000 2.044 651 L HA -0.104 4.411 4.340 0.292 0.000 0.205 651 L C 2.756 179.553 176.870 -0.122 0.000 1.075 651 L CA 0.995 55.645 54.840 -0.317 0.000 0.747 651 L CB -0.280 41.485 42.059 -0.490 0.000 0.903 651 L HN 0.083 nan 8.230 nan 0.000 0.435 652 R N 0.974 121.223 120.500 -0.419 0.000 2.105 652 R HA -0.159 4.356 4.340 0.292 0.000 0.239 652 R C 2.450 178.758 176.300 0.013 0.000 1.135 652 R CA 1.864 57.735 56.100 -0.382 0.000 0.967 652 R CB -0.714 29.046 30.300 -0.901 0.000 0.861 652 R HN 0.464 nan 8.270 nan 0.000 0.442 653 S N -0.447 115.333 115.700 0.133 0.000 2.507 653 S HA -0.037 4.608 4.470 0.292 0.000 0.235 653 S C 0.897 175.670 174.600 0.288 0.000 0.988 653 S CA 0.935 59.279 58.200 0.239 0.000 0.944 653 S CB -0.116 63.235 63.200 0.252 0.000 0.762 653 S HN 0.502 nan 8.310 nan 0.000 0.526 654 E N 0.035 120.372 120.200 0.227 0.000 2.548 654 E HA 0.241 4.766 4.350 0.292 0.000 0.206 654 E C 0.751 177.330 176.600 -0.035 0.000 1.005 654 E CA -0.309 56.143 56.400 0.087 0.000 0.951 654 E CB 0.104 29.866 29.700 0.102 0.000 1.035 654 E HN 0.429 nan 8.360 nan 0.000 0.470 655 M N 1.035 120.700 119.600 0.108 0.000 2.358 655 M HA -0.114 4.542 4.480 0.292 0.000 0.264 655 M C 1.946 178.266 176.300 0.033 0.000 1.064 655 M CA 1.355 56.691 55.300 0.061 0.000 1.093 655 M CB -0.940 31.711 32.600 0.085 0.000 1.401 655 M HN 0.303 nan 8.290 nan 0.000 0.440 656 H N -0.958 118.122 119.070 0.017 0.000 2.547 656 H HA 0.212 4.944 4.556 0.294 0.000 0.266 656 H C -0.170 175.158 175.328 -0.000 0.000 0.988 656 H CA 0.146 56.201 56.048 0.013 0.000 1.147 656 H CB -0.744 29.032 29.762 0.024 0.000 1.365 656 H HN 0.092 nan 8.280 nan 0.000 0.589 657 V N 3.681 123.308 119.914 -0.479 0.000 2.318 657 V HA 0.121 4.416 4.120 0.292 0.000 0.271 657 V C -1.443 174.535 176.094 -0.193 0.000 1.030 657 V CA -1.255 60.821 62.300 -0.372 0.000 0.844 657 V CB 1.690 33.238 31.823 -0.458 0.000 1.015 657 V HN 0.116 nan 8.190 nan 0.000 0.460 658 P HA -0.161 nan 4.420 nan 0.000 0.217 658 P C 1.826 179.172 177.300 0.077 0.000 1.148 658 P CA 1.642 64.775 63.100 0.055 0.000 0.828 658 P CB 0.184 31.998 31.700 0.190 0.000 0.783 659 S N -1.281 114.385 115.700 -0.056 0.000 2.447 659 S HA -0.083 4.562 4.470 0.292 0.000 0.233 659 S C 1.610 176.059 174.600 -0.251 0.000 1.006 659 S CA 1.343 59.417 58.200 -0.210 0.000 0.957 659 S CB -1.335 61.503 63.200 -0.604 0.000 0.773 659 S HN 0.187 nan 8.310 nan 0.000 0.507 660 V N -3.154 116.545 119.914 -0.359 0.000 3.502 660 V HA 0.689 4.984 4.120 0.292 0.000 0.288 660 V C 2.138 177.949 176.094 -0.472 0.000 1.461 660 V CA 0.109 62.038 62.300 -0.618 0.000 1.029 660 V CB -0.556 30.531 31.823 -1.226 0.000 0.843 660 V HN 0.378 nan 8.190 nan 0.000 0.438 661 A N 1.460 124.143 122.820 -0.228 0.000 1.908 661 A HA -0.117 4.379 4.320 0.292 0.000 0.218 661 A C 2.045 179.644 177.584 0.026 0.000 1.181 661 A CA 2.347 54.337 52.037 -0.079 0.000 0.627 661 A CB -0.532 18.448 19.000 -0.033 0.000 0.818 661 A HN 0.606 nan 8.150 nan 0.000 0.445 662 L N -0.046 121.189 121.223 0.019 0.000 1.976 662 L HA -0.152 4.364 4.340 0.292 0.000 0.209 662 L C 2.479 179.332 176.870 -0.028 0.000 1.071 662 L CA 2.655 57.542 54.840 0.077 0.000 0.746 662 L CB -0.781 41.299 42.059 0.034 0.000 0.890 662 L HN 0.484 nan 8.230 nan 0.000 0.432 663 R N -1.480 118.965 120.500 -0.090 0.000 2.094 663 R HA -0.220 4.295 4.340 0.292 0.000 0.239 663 R C 2.262 178.638 176.300 0.128 0.000 1.137 663 R CA 2.138 58.186 56.100 -0.086 0.000 0.943 663 R CB -0.437 29.844 30.300 -0.031 0.000 0.850 663 R HN 0.366 nan 8.270 nan 0.000 0.433 664 F N 0.063 119.955 119.950 -0.098 0.000 2.186 664 F HA 0.081 4.782 4.527 0.291 0.000 0.299 664 F C 2.469 178.253 175.800 -0.025 0.000 1.090 664 F CA 1.105 59.065 58.000 -0.067 0.000 1.307 664 F CB -1.302 37.654 39.000 -0.074 0.000 1.019 664 F HN 0.216 nan 8.300 nan 0.000 0.489 665 G N 0.202 109.142 108.800 0.233 0.000 2.418 665 G HA2 -0.201 3.934 3.960 0.292 0.000 0.217 665 G HA3 -0.201 3.934 3.960 0.292 0.000 0.217 665 G C 1.893 176.924 174.900 0.218 0.000 1.158 665 G CA 0.700 45.976 45.100 0.294 0.000 0.771 665 G HN 0.320 nan 8.290 nan 0.000 0.545 666 L N 0.000 121.182 121.223 -0.069 0.000 2.046 666 L HA -0.015 4.500 4.340 0.292 0.000 0.208 666 L C 2.865 179.824 176.870 0.148 0.000 1.077 666 L CA 0.699 55.401 54.840 -0.231 0.000 0.747 666 L CB -0.352 41.362 42.059 -0.574 0.000 0.896 666 L HN 0.202 nan 8.230 nan 0.000 0.432 667 I N -0.683 119.972 120.570 0.141 0.000 2.226 667 I HA -0.333 4.012 4.170 0.292 0.000 0.245 667 I C 2.614 178.855 176.117 0.206 0.000 1.100 667 I CA 1.501 62.939 61.300 0.230 0.000 1.374 667 I CB -0.196 37.872 38.000 0.112 0.000 1.057 667 I HN 0.265 nan 8.210 nan 0.000 0.413 668 M N -0.142 119.551 119.600 0.155 0.000 2.159 668 M HA -0.227 4.428 4.480 0.292 0.000 0.263 668 M C 2.316 178.774 176.300 0.264 0.000 1.063 668 M CA 1.638 57.060 55.300 0.203 0.000 1.110 668 M CB -0.466 32.213 32.600 0.131 0.000 1.374 668 M HN 0.242 nan 8.290 nan 0.000 0.411 669 E N 0.706 121.047 120.200 0.235 0.000 2.038 669 E HA -0.221 4.304 4.350 0.292 0.000 0.195 669 E C 1.961 178.668 176.600 0.179 0.000 1.000 669 E CA 1.519 58.049 56.400 0.217 0.000 0.803 669 E CB -0.000 29.843 29.700 0.239 0.000 0.750 669 E HN 0.468 nan 8.360 nan 0.000 0.448 670 A N 0.462 123.397 122.820 0.190 0.000 1.883 670 A HA -0.234 4.262 4.320 0.292 0.000 0.217 670 A C 2.090 179.761 177.584 0.145 0.000 1.186 670 A CA 1.697 53.821 52.037 0.145 0.000 0.624 670 A CB -1.112 17.972 19.000 0.139 0.000 0.822 670 A HN 0.607 nan 8.150 nan 0.000 0.444 671 Y N 0.417 120.777 120.300 0.100 0.000 2.081 671 Y HA -0.338 4.387 4.550 0.292 0.000 0.280 671 Y C 2.642 178.578 175.900 0.060 0.000 1.163 671 Y CA 1.750 59.901 58.100 0.087 0.000 1.135 671 Y CB -0.879 37.640 38.460 0.099 0.000 0.970 671 Y HN 0.398 nan 8.280 nan 0.000 0.498 672 C N 0.923 120.261 119.300 0.064 0.000 2.413 672 C HA -0.196 4.439 4.460 0.292 0.000 0.277 672 C C 2.643 177.586 174.990 -0.078 0.000 1.265 672 C CA 1.052 60.047 59.018 -0.039 0.000 1.752 672 C CB -1.184 26.587 27.740 0.051 0.000 1.998 672 C HN 0.517 nan 8.230 nan 0.000 0.489 673 R N 0.790 121.270 120.500 -0.033 0.000 2.105 673 R HA -0.080 4.435 4.340 0.292 0.000 0.239 673 R C 2.312 178.559 176.300 -0.089 0.000 1.135 673 R CA 1.700 57.778 56.100 -0.036 0.000 0.967 673 R CB -1.402 28.896 30.300 -0.003 0.000 0.861 673 R HN 0.628 nan 8.270 nan 0.000 0.442 674 G N -1.004 107.703 108.800 -0.156 0.000 2.712 674 G HA2 -0.064 4.071 3.960 0.292 0.000 0.212 674 G HA3 -0.064 4.071 3.960 0.292 0.000 0.212 674 G C 0.183 174.933 174.900 -0.250 0.000 1.142 674 G CA 0.221 45.198 45.100 -0.206 0.000 0.789 674 G HN 0.263 nan 8.290 nan 0.000 0.535 675 S N -0.748 114.782 115.700 -0.283 0.000 2.423 675 S HA 0.338 4.984 4.470 0.292 0.000 0.213 675 S C 1.109 175.669 174.600 -0.066 0.000 1.131 675 S CA -0.272 57.839 58.200 -0.149 0.000 1.155 675 S CB 0.419 63.554 63.200 -0.108 0.000 1.202 675 S HN 0.040 nan 8.310 nan 0.000 0.441 676 T N 3.224 117.767 114.554 -0.018 0.000 2.759 676 T HA -0.150 4.375 4.350 0.292 0.000 0.269 676 T C 1.627 176.353 174.700 0.043 0.000 1.042 676 T CA 1.552 63.655 62.100 0.004 0.000 1.140 676 T CB -0.430 68.447 68.868 0.014 0.000 0.864 676 T HN 0.784 nan 8.240 nan 0.000 0.455 677 H N 0.431 119.516 119.070 0.025 0.000 2.321 677 H HA -0.096 4.636 4.556 0.293 0.000 0.300 677 H C 2.249 177.646 175.328 0.115 0.000 1.087 677 H CA 1.783 57.870 56.048 0.066 0.000 1.319 677 H CB -0.394 29.424 29.762 0.092 0.000 1.379 677 H HN 0.558 nan 8.280 nan 0.000 0.501 678 H N -0.044 119.083 119.070 0.095 0.000 2.423 678 H HA -0.109 4.622 4.556 0.292 0.000 0.297 678 H C 2.609 177.881 175.328 -0.093 0.000 1.075 678 H CA 0.872 56.941 56.048 0.036 0.000 1.342 678 H CB 0.120 29.950 29.762 0.113 0.000 1.395 678 H HN 0.357 nan 8.280 nan 0.000 0.530 679 M N 0.974 120.510 119.600 -0.106 0.000 2.106 679 M HA -0.223 4.433 4.480 0.292 0.000 0.259 679 M C 1.783 177.955 176.300 -0.214 0.000 1.068 679 M CA 1.898 57.072 55.300 -0.210 0.000 1.100 679 M CB -0.005 32.527 32.600 -0.113 0.000 1.351 679 M HN 0.146 nan 8.290 nan 0.000 0.404 680 K N -0.532 119.767 120.400 -0.168 0.000 2.097 680 K HA -0.070 4.425 4.320 0.292 0.000 0.205 680 K C 1.804 178.313 176.600 -0.152 0.000 1.050 680 K CA 1.345 57.537 56.287 -0.157 0.000 0.938 680 K CB -0.209 32.188 32.500 -0.171 0.000 0.718 680 K HN 0.249 nan 8.250 nan 0.000 0.442 681 V N 1.853 121.670 119.914 -0.162 0.000 2.343 681 V HA -0.235 4.060 4.120 0.292 0.000 0.247 681 V C 2.142 178.190 176.094 -0.078 0.000 1.051 681 V CA 1.632 63.900 62.300 -0.053 0.000 1.036 681 V CB -0.394 31.501 31.823 0.119 0.000 0.654 681 V HN 0.261 nan 8.190 nan 0.000 0.451 682 L N -1.266 119.796 121.223 -0.268 0.000 2.093 682 L HA -0.185 4.330 4.340 0.292 0.000 0.208 682 L C 2.512 179.253 176.870 -0.216 0.000 1.085 682 L CA 1.534 56.131 54.840 -0.405 0.000 0.755 682 L CB -0.478 40.938 42.059 -1.072 0.000 0.904 682 L HN 0.298 nan 8.230 nan 0.000 0.435 683 M N -0.291 119.199 119.600 -0.183 0.000 2.117 683 M HA -0.230 4.425 4.480 0.292 0.000 0.262 683 M C 2.355 178.653 176.300 -0.003 0.000 1.065 683 M CA 1.631 56.888 55.300 -0.072 0.000 1.114 683 M CB -0.318 32.239 32.600 -0.070 0.000 1.361 683 M HN 0.055 nan 8.290 nan 0.000 0.408 684 K N 0.805 121.202 120.400 -0.006 0.000 2.057 684 K HA -0.184 4.312 4.320 0.292 0.000 0.207 684 K C 1.783 178.422 176.600 0.066 0.000 1.049 684 K CA 1.750 58.054 56.287 0.027 0.000 0.931 684 K CB -0.187 32.329 32.500 0.027 0.000 0.714 684 K HN 0.365 nan 8.250 nan 0.000 0.440 685 Q N -0.694 119.172 119.800 0.110 0.000 2.050 685 Q HA -0.071 4.444 4.340 0.292 0.000 0.202 685 Q C 2.206 178.346 176.000 0.234 0.000 0.980 685 Q CA 1.618 57.535 55.803 0.188 0.000 0.840 685 Q CB -0.441 28.504 28.738 0.346 0.000 0.898 685 Q HN 0.567 nan 8.270 nan 0.000 0.424 686 G N 0.878 109.850 108.800 0.287 0.000 2.422 686 G HA2 -0.281 3.855 3.960 0.292 0.000 0.218 686 G HA3 -0.281 3.855 3.960 0.292 0.000 0.218 686 G C 1.035 176.021 174.900 0.143 0.000 1.146 686 G CA 0.871 46.147 45.100 0.293 0.000 0.769 686 G HN 0.335 nan 8.290 nan 0.000 0.547 687 E N 0.487 120.734 120.200 0.078 0.000 2.106 687 E HA 0.013 4.538 4.350 0.292 0.000 0.192 687 E C 2.897 179.486 176.600 -0.019 0.000 0.984 687 E CA 0.755 57.165 56.400 0.016 0.000 0.806 687 E CB -0.167 29.532 29.700 -0.002 0.000 0.750 687 E HN 0.415 nan 8.360 nan 0.000 0.458 688 A N 1.042 123.865 122.820 0.005 0.000 1.898 688 A HA -0.144 4.351 4.320 0.292 0.000 0.216 688 A C 2.172 179.721 177.584 -0.059 0.000 1.181 688 A CA 0.999 53.022 52.037 -0.023 0.000 0.620 688 A CB -0.581 18.430 19.000 0.017 0.000 0.819 688 A HN 0.133 nan 8.150 nan 0.000 0.442 689 L N -0.733 120.491 121.223 0.002 0.000 2.083 689 L HA -0.153 4.362 4.340 0.292 0.000 0.209 689 L C 2.911 179.762 176.870 -0.032 0.000 1.083 689 L CA 1.426 56.270 54.840 0.006 0.000 0.752 689 L CB -0.376 41.769 42.059 0.143 0.000 0.899 689 L HN 0.495 nan 8.230 nan 0.000 0.433 690 S N -0.417 115.284 115.700 0.000 0.000 2.368 690 S HA -0.177 4.468 4.470 0.292 0.000 0.225 690 S C 2.141 176.685 174.600 -0.093 0.000 1.030 690 S CA 1.238 59.429 58.200 -0.014 0.000 0.999 690 S CB -0.005 63.192 63.200 -0.005 0.000 0.844 690 S HN 0.235 nan 8.310 nan 0.000 0.459 691 K N 0.946 121.245 120.400 -0.169 0.000 2.057 691 K HA 0.084 4.579 4.320 0.292 0.000 0.206 691 K C 2.126 178.636 176.600 -0.150 0.000 1.050 691 K CA 0.867 56.999 56.287 -0.258 0.000 0.935 691 K CB -0.748 31.493 32.500 -0.430 0.000 0.715 691 K HN 0.429 nan 8.250 nan 0.000 0.439 692 L N 0.940 121.976 121.223 -0.313 0.000 2.083 692 L HA -0.204 4.311 4.340 0.292 0.000 0.209 692 L C 2.510 178.969 176.870 -0.684 0.000 1.083 692 L CA 1.143 55.600 54.840 -0.638 0.000 0.752 692 L CB -0.444 40.905 42.059 -1.182 0.000 0.899 692 L HN 0.078 nan 8.230 nan 0.000 0.433 693 K N 0.844 120.985 120.400 -0.432 0.000 2.032 693 K HA -0.159 4.337 4.320 0.292 0.000 0.209 693 K C 2.021 178.673 176.600 0.088 0.000 1.048 693 K CA 1.826 58.149 56.287 0.060 0.000 0.927 693 K CB -0.467 32.142 32.500 0.182 0.000 0.712 693 K HN 0.208 nan 8.250 nan 0.000 0.441 694 A N 0.538 123.393 122.820 0.058 0.000 1.902 694 A HA -0.105 4.390 4.320 0.292 0.000 0.217 694 A C 2.168 179.853 177.584 0.168 0.000 1.181 694 A CA 1.639 53.750 52.037 0.122 0.000 0.623 694 A CB -0.766 18.312 19.000 0.131 0.000 0.818 694 A HN 0.372 nan 8.150 nan 0.000 0.443 695 L N 0.347 121.668 121.223 0.163 0.000 2.046 695 L HA -0.154 4.362 4.340 0.292 0.000 0.208 695 L C 2.049 179.012 176.870 0.155 0.000 1.077 695 L CA 2.285 57.211 54.840 0.142 0.000 0.747 695 L CB -0.757 41.369 42.059 0.111 0.000 0.896 695 L HN 0.417 nan 8.230 nan 0.000 0.432 696 N N -0.183 118.595 118.700 0.130 0.000 2.120 696 N HA -0.194 4.721 4.740 0.292 0.000 0.188 696 N C 1.475 177.052 175.510 0.112 0.000 1.024 696 N CA 1.509 54.658 53.050 0.165 0.000 0.852 696 N CB -0.196 38.496 38.487 0.342 0.000 1.003 696 N HN 0.389 nan 8.380 nan 0.000 0.424 697 D N -0.171 120.307 120.400 0.130 0.000 2.104 697 D HA -0.172 4.643 4.640 0.292 0.000 0.194 697 D C 1.714 178.049 176.300 0.058 0.000 0.994 697 D CA 0.660 54.712 54.000 0.088 0.000 0.830 697 D CB -0.601 40.260 40.800 0.102 0.000 0.959 697 D HN 0.315 nan 8.370 nan 0.000 0.452 698 F N 1.542 121.476 119.950 -0.027 0.000 2.095 698 F HA -0.236 4.268 4.527 -0.039 0.000 0.298 698 F C 2.195 177.922 175.800 -0.122 0.000 1.104 698 F CA 1.150 59.113 58.000 -0.063 0.000 1.232 698 F CB -0.369 38.590 39.000 -0.069 0.000 0.987 698 F HN -0.204 nan 8.300 nan 0.000 0.475 699 V N 0.809 120.596 119.914 -0.212 0.000 2.343 699 V HA -0.319 3.976 4.120 0.292 0.000 0.247 699 V C 2.410 178.210 176.094 -0.490 0.000 1.051 699 V CA 2.314 64.320 62.300 -0.489 0.000 1.036 699 V CB -0.720 30.827 31.823 -0.460 0.000 0.654 699 V HN 0.309 nan 8.190 nan 0.000 0.451 700 K N -0.458 119.779 120.400 -0.272 0.000 2.063 700 K HA -0.153 4.342 4.320 0.292 0.000 0.208 700 K C 2.028 178.511 176.600 -0.195 0.000 1.048 700 K CA 1.508 57.688 56.287 -0.178 0.000 0.928 700 K CB -0.357 32.099 32.500 -0.073 0.000 0.713 700 K HN 0.340 nan 8.250 nan 0.000 0.442 701 V N 0.385 120.156 119.914 -0.238 0.000 2.283 701 V HA -0.228 4.067 4.120 0.292 0.000 0.243 701 V C 2.365 178.278 176.094 -0.302 0.000 1.039 701 V CA 1.988 64.153 62.300 -0.225 0.000 1.016 701 V CB -0.338 31.371 31.823 -0.191 0.000 0.650 701 V HN 0.362 nan 8.190 nan 0.000 0.449 702 S N 0.875 116.257 115.700 -0.531 0.000 2.368 702 S HA -0.200 4.445 4.470 0.292 0.000 0.225 702 S C 2.202 176.630 174.600 -0.286 0.000 1.030 702 S CA 2.114 60.011 58.200 -0.505 0.000 0.999 702 S CB -0.446 62.232 63.200 -0.870 0.000 0.844 702 S HN 0.798 nan 8.310 nan 0.000 0.459 703 S N 0.417 115.949 115.700 -0.279 0.000 2.507 703 S HA -0.011 4.634 4.470 0.292 0.000 0.235 703 S C 1.676 176.241 174.600 -0.059 0.000 0.988 703 S CA 0.649 58.783 58.200 -0.111 0.000 0.944 703 S CB -0.496 62.668 63.200 -0.061 0.000 0.762 703 S HN 0.696 nan 8.310 nan 0.000 0.526 704 Q N 0.232 119.977 119.800 -0.091 0.000 2.389 704 Q HA 0.165 4.680 4.340 0.292 0.000 0.204 704 Q C 1.250 177.220 176.000 -0.050 0.000 0.944 704 Q CA 0.717 56.486 55.803 -0.057 0.000 0.908 704 Q CB 0.057 28.759 28.738 -0.060 0.000 1.002 704 Q HN 0.489 nan 8.270 nan 0.000 0.493 705 K N -1.181 119.180 120.400 -0.065 0.000 2.412 705 K HA 0.171 4.666 4.320 0.292 0.000 0.202 705 K C 0.174 176.751 176.600 -0.038 0.000 1.102 705 K CA 0.274 56.532 56.287 -0.049 0.000 1.027 705 K CB 1.518 33.983 32.500 -0.058 0.000 0.931 705 K HN -0.120 nan 8.250 nan 0.000 0.557 706 T N -0.533 113.998 114.554 -0.038 0.000 2.812 706 T HA 0.273 4.798 4.350 0.292 0.000 0.294 706 T C -1.063 173.638 174.700 0.003 0.000 1.159 706 T CA -0.709 61.380 62.100 -0.020 0.000 1.008 706 T CB 1.178 70.031 68.868 -0.025 0.000 1.289 706 T HN 0.199 nan 8.240 nan 0.000 0.514 707 T N 0.108 114.669 114.554 0.011 0.000 2.868 707 T HA 0.323 4.848 4.350 0.292 0.000 0.292 707 T C 1.337 176.071 174.700 0.057 0.000 1.028 707 T CA -0.349 61.763 62.100 0.021 0.000 1.059 707 T CB 0.752 69.623 68.868 0.005 0.000 0.991 707 T HN 0.689 nan 8.240 nan 0.000 0.531 708 K N 1.240 121.673 120.400 0.056 0.000 2.032 708 K HA -0.061 4.435 4.320 0.292 0.000 0.209 708 K C -0.623 176.010 176.600 0.055 0.000 1.048 708 K CA 1.327 57.664 56.287 0.083 0.000 0.927 708 K CB -1.136 31.302 32.500 -0.104 0.000 0.712 708 K HN 0.534 nan 8.250 nan 0.000 0.441 709 P HA -0.166 nan 4.420 nan 0.000 0.216 709 P C 0.995 178.296 177.300 0.003 0.000 1.150 709 P CA 1.481 64.570 63.100 -0.019 0.000 0.837 709 P CB -0.050 31.634 31.700 -0.027 0.000 0.786 710 Q N -0.687 119.125 119.800 0.020 0.000 2.050 710 Q HA -0.093 4.422 4.340 0.292 0.000 0.202 710 Q C 2.304 178.330 176.000 0.044 0.000 0.980 710 Q CA 1.988 57.805 55.803 0.023 0.000 0.840 710 Q CB -0.811 27.936 28.738 0.016 0.000 0.898 710 Q HN 0.234 nan 8.270 nan 0.000 0.424 711 T N 0.972 115.571 114.554 0.074 0.000 2.788 711 T HA -0.156 4.370 4.350 0.292 0.000 0.268 711 T C 1.660 176.443 174.700 0.138 0.000 1.044 711 T CA 1.213 63.355 62.100 0.070 0.000 1.139 711 T CB -0.092 68.788 68.868 0.021 0.000 0.867 711 T HN 0.222 nan 8.240 nan 0.000 0.454 712 K N 0.814 121.322 120.400 0.180 0.000 2.026 712 K HA -0.178 4.317 4.320 0.292 0.000 0.208 712 K C 2.348 178.789 176.600 -0.265 0.000 1.048 712 K CA 1.541 57.843 56.287 0.026 0.000 0.929 712 K CB -0.078 32.389 32.500 -0.056 0.000 0.713 712 K HN 0.098 nan 8.250 nan 0.000 0.439 713 E N 0.714 120.818 120.200 -0.160 0.000 2.110 713 E HA -0.187 4.338 4.350 0.292 0.000 0.193 713 E C 1.856 178.451 176.600 -0.008 0.000 0.988 713 E CA 1.411 57.742 56.400 -0.115 0.000 0.804 713 E CB -0.137 29.545 29.700 -0.030 0.000 0.745 713 E HN 0.220 nan 8.360 nan 0.000 0.458 714 M N -0.329 119.306 119.600 0.059 0.000 2.132 714 M HA -0.018 4.638 4.480 0.292 0.000 0.263 714 M C 2.233 178.578 176.300 0.075 0.000 1.065 714 M CA 1.463 56.841 55.300 0.131 0.000 1.122 714 M CB -0.381 32.424 32.600 0.341 0.000 1.365 714 M HN 0.313 nan 8.290 nan 0.000 0.411 715 M N -1.071 118.632 119.600 0.170 0.000 2.082 715 M HA -0.321 4.334 4.480 0.292 0.000 0.258 715 M C 1.970 178.317 176.300 0.079 0.000 1.069 715 M CA 2.017 57.383 55.300 0.111 0.000 1.102 715 M CB -0.503 32.204 32.600 0.178 0.000 1.336 715 M HN 0.399 nan 8.290 nan 0.000 0.404 716 H N -0.533 118.528 119.070 -0.015 0.000 2.353 716 H HA -0.133 4.602 4.556 0.297 0.000 0.300 716 H C 2.157 177.427 175.328 -0.096 0.000 1.090 716 H CA 1.663 57.686 56.048 -0.042 0.000 1.327 716 H CB -0.122 29.638 29.762 -0.005 0.000 1.383 716 H HN 0.482 nan 8.280 nan 0.000 0.508 717 M N -0.031 119.585 119.600 0.027 0.000 2.117 717 M HA -0.199 4.456 4.480 0.292 0.000 0.262 717 M C 2.633 178.817 176.300 -0.193 0.000 1.065 717 M CA 1.038 56.297 55.300 -0.069 0.000 1.114 717 M CB -0.411 32.150 32.600 -0.065 0.000 1.361 717 M HN 0.353 nan 8.290 nan 0.000 0.408 718 C N 0.669 119.775 119.300 -0.322 0.000 2.413 718 C HA -0.177 4.458 4.460 0.292 0.000 0.277 718 C C 2.840 177.476 174.990 -0.590 0.000 1.228 718 C CA 1.041 59.718 59.018 -0.567 0.000 1.731 718 C CB -0.912 26.331 27.740 -0.829 0.000 2.042 718 C HN 0.581 nan 8.230 nan 0.000 0.468 719 M N -0.126 119.245 119.600 -0.382 0.000 2.279 719 M HA -0.128 4.527 4.480 0.292 0.000 0.264 719 M C 2.195 178.444 176.300 -0.085 0.000 1.062 719 M CA 1.462 56.636 55.300 -0.209 0.000 1.099 719 M CB -0.507 32.038 32.600 -0.091 0.000 1.394 719 M HN 0.366 nan 8.290 nan 0.000 0.426 720 R N 0.278 120.720 120.500 -0.096 0.000 2.323 720 R HA 0.043 4.558 4.340 0.292 0.000 0.198 720 R C 0.266 176.552 176.300 -0.024 0.000 0.988 720 R CA 0.157 56.228 56.100 -0.048 0.000 1.041 720 R CB -0.112 30.162 30.300 -0.044 0.000 0.926 720 R HN 0.548 nan 8.270 nan 0.000 0.476 721 Q N 0.632 120.411 119.800 -0.034 0.000 2.361 721 Q HA -0.065 4.450 4.340 0.292 0.000 0.276 721 Q C 0.651 176.700 176.000 0.082 0.000 1.022 721 Q CA 0.213 56.031 55.803 0.025 0.000 0.898 721 Q CB 0.726 29.492 28.738 0.048 0.000 1.246 721 Q HN 0.211 nan 8.270 nan 0.000 0.410 722 E N 0.730 120.966 120.200 0.060 0.000 2.058 722 E HA -0.246 4.279 4.350 0.292 0.000 0.194 722 E C 1.958 178.598 176.600 0.067 0.000 0.997 722 E CA 1.957 58.390 56.400 0.055 0.000 0.801 722 E CB -0.111 29.612 29.700 0.038 0.000 0.746 722 E HN 0.837 nan 8.360 nan 0.000 0.450 723 T N -0.861 113.738 114.554 0.074 0.000 2.699 723 T HA -0.252 4.273 4.350 0.292 0.000 0.268 723 T C 1.771 176.462 174.700 -0.015 0.000 1.036 723 T CA 1.429 63.544 62.100 0.026 0.000 1.147 723 T CB -0.590 68.287 68.868 0.014 0.000 0.862 723 T HN 0.158 nan 8.240 nan 0.000 0.446 724 Y N 0.836 121.118 120.300 -0.030 0.000 2.206 724 Y HA 0.168 4.908 4.550 0.317 0.000 0.292 724 Y C 2.902 178.783 175.900 -0.031 0.000 1.123 724 Y CA 0.753 58.830 58.100 -0.038 0.000 1.142 724 Y CB -0.402 38.022 38.460 -0.059 0.000 1.006 724 Y HN 0.034 nan 8.280 nan 0.000 0.518 725 M N 0.070 119.747 119.600 0.129 0.000 2.106 725 M HA -0.267 4.388 4.480 0.292 0.000 0.259 725 M C 2.148 178.475 176.300 0.045 0.000 1.068 725 M CA 1.670 57.005 55.300 0.057 0.000 1.100 725 M CB -1.129 31.495 32.600 0.041 0.000 1.351 725 M HN 0.394 nan 8.290 nan 0.000 0.404 726 E N -0.131 120.100 120.200 0.052 0.000 2.046 726 E HA -0.103 4.422 4.350 0.292 0.000 0.190 726 E C 1.996 178.622 176.600 0.043 0.000 0.982 726 E CA 1.199 57.636 56.400 0.062 0.000 0.800 726 E CB 0.065 29.794 29.700 0.047 0.000 0.756 726 E HN 0.424 nan 8.360 nan 0.000 0.449 727 A N 0.850 123.667 122.820 -0.005 0.000 1.969 727 A HA -0.084 4.412 4.320 0.292 0.000 0.218 727 A C 2.080 179.663 177.584 -0.001 0.000 1.169 727 A CA 0.899 52.917 52.037 -0.031 0.000 0.635 727 A CB -0.390 18.535 19.000 -0.124 0.000 0.810 727 A HN 0.319 nan 8.150 nan 0.000 0.445 728 L N -0.424 120.810 121.223 0.018 0.000 2.558 728 L HA 0.101 4.617 4.340 0.292 0.000 0.225 728 L C 0.288 177.236 176.870 0.131 0.000 1.128 728 L CA -0.107 54.776 54.840 0.071 0.000 0.868 728 L CB 0.051 42.150 42.059 0.066 0.000 1.006 728 L HN 0.156 nan 8.230 nan 0.000 0.454 729 S N -1.836 113.881 115.700 0.029 0.000 2.593 729 S HA 0.422 5.067 4.470 0.292 0.000 0.297 729 S C -0.539 173.979 174.600 -0.136 0.000 1.112 729 S CA -0.485 57.633 58.200 -0.136 0.000 1.043 729 S CB 0.941 63.889 63.200 -0.420 0.000 1.054 729 S HN 0.423 nan 8.310 nan 0.000 0.516 730 H N -0.508 118.598 119.070 0.060 0.000 2.904 730 H HA -0.124 4.608 4.556 0.293 0.000 0.333 730 H C -0.638 174.686 175.328 -0.006 0.000 1.271 730 H CA 0.561 56.618 56.048 0.014 0.000 1.183 730 H CB -1.958 27.823 29.762 0.032 0.000 1.519 730 H HN 0.490 nan 8.280 nan 0.000 0.441 731 L N -2.554 118.673 121.223 0.006 0.000 2.327 731 L HA 0.606 5.121 4.340 0.292 0.000 0.258 731 L C -0.200 176.642 176.870 -0.048 0.000 1.024 731 L CA -1.437 53.404 54.840 0.001 0.000 0.825 731 L CB 1.888 43.945 42.059 -0.005 0.000 1.386 731 L HN 0.095 nan 8.230 nan 0.000 0.417 732 Q N 1.092 120.899 119.800 0.012 0.000 2.288 732 Q HA 0.269 4.784 4.340 0.292 0.000 0.254 732 Q C -0.164 175.828 176.000 -0.013 0.000 0.932 732 Q CA -0.359 55.444 55.803 -0.000 0.000 0.902 732 Q CB 1.573 30.366 28.738 0.091 0.000 1.203 732 Q HN 0.703 nan 8.270 nan 0.000 0.415 733 S N 2.869 118.525 115.700 -0.073 0.000 2.516 733 S HA 0.072 4.717 4.470 0.292 0.000 0.282 733 S C -1.726 172.878 174.600 0.008 0.000 1.286 733 S CA -1.315 56.842 58.200 -0.072 0.000 1.066 733 S CB 0.473 63.619 63.200 -0.091 0.000 0.884 733 S HN 0.385 nan 8.310 nan 0.000 0.491 734 P HA -0.049 nan 4.420 nan 0.000 0.219 734 P C 1.036 178.364 177.300 0.047 0.000 1.146 734 P CA 0.993 64.052 63.100 -0.068 0.000 0.808 734 P CB 0.066 31.432 31.700 -0.557 0.000 0.779 735 L N -1.840 119.409 121.223 0.043 0.000 2.313 735 L HA 0.026 4.541 4.340 0.292 0.000 0.214 735 L C 0.510 177.541 176.870 0.269 0.000 1.119 735 L CA 0.896 55.841 54.840 0.175 0.000 0.809 735 L CB -0.299 41.824 42.059 0.107 0.000 0.933 735 L HN -0.020 nan 8.230 nan 0.000 0.449 736 D N -1.479 118.977 120.400 0.092 0.000 2.300 736 D HA 0.087 4.902 4.640 0.292 0.000 0.218 736 D C -2.105 174.116 176.300 -0.131 0.000 1.326 736 D CA -1.282 52.746 54.000 0.047 0.000 0.942 736 D CB 1.365 42.215 40.800 0.082 0.000 1.495 736 D HN -0.286 nan 8.370 nan 0.000 0.545 737 P HA -0.187 nan 4.420 nan 0.000 0.218 737 P C 1.245 178.507 177.300 -0.063 0.000 1.146 737 P CA 1.110 64.036 63.100 -0.290 0.000 0.813 737 P CB 0.123 31.538 31.700 -0.475 0.000 0.778 738 S N -1.993 113.689 115.700 -0.030 0.000 2.474 738 S HA -0.037 4.608 4.470 0.292 0.000 0.235 738 S C 1.007 175.613 174.600 0.009 0.000 0.997 738 S CA 0.632 58.868 58.200 0.059 0.000 0.949 738 S CB -1.482 61.749 63.200 0.052 0.000 0.766 738 S HN 0.078 nan 8.310 nan 0.000 0.517 739 T N 3.096 117.629 114.554 -0.035 0.000 2.767 739 T HA 0.527 5.052 4.350 0.292 0.000 0.288 739 T C -0.451 174.177 174.700 -0.120 0.000 0.963 739 T CA -0.503 61.557 62.100 -0.066 0.000 1.019 739 T CB 0.907 69.745 68.868 -0.050 0.000 0.923 739 T HN 0.242 nan 8.240 nan 0.000 0.468 740 L N 4.686 125.819 121.223 -0.150 0.000 2.272 740 L HA 0.456 4.971 4.340 0.292 0.000 0.289 740 L C -0.126 176.621 176.870 -0.204 0.000 1.032 740 L CA -0.739 53.989 54.840 -0.186 0.000 0.810 740 L CB 0.921 42.852 42.059 -0.213 0.000 1.205 740 L HN 0.445 nan 8.230 nan 0.000 0.422 741 L N 4.064 125.103 121.223 -0.307 0.000 2.352 741 L HA 0.221 4.736 4.340 0.292 0.000 0.272 741 L C 0.840 177.511 176.870 -0.331 0.000 1.109 741 L CA -0.459 54.025 54.840 -0.593 0.000 0.952 741 L CB 0.308 41.660 42.059 -1.178 0.000 1.314 741 L HN 0.635 nan 8.230 nan 0.000 0.427 742 E N 2.050 122.198 120.200 -0.085 0.000 3.677 742 E HA -0.005 4.520 4.350 0.292 0.000 0.523 742 E C 0.082 176.643 176.600 -0.067 0.000 0.493 742 E CA 0.507 56.922 56.400 0.025 0.000 3.274 742 E CB 0.130 29.896 29.700 0.109 0.000 1.915 742 E HN 0.425 nan 8.360 nan 0.000 0.413 743 E N 0.556 120.752 120.200 -0.006 0.000 2.316 743 E HA 0.190 4.716 4.350 0.292 0.000 0.275 743 E C -0.496 176.118 176.600 0.022 0.000 1.029 743 E CA -0.128 56.236 56.400 -0.059 0.000 0.871 743 E CB 1.334 31.033 29.700 -0.001 0.000 1.022 743 E HN 0.011 nan 8.360 nan 0.000 0.418 744 V N 4.054 123.898 119.914 -0.117 0.000 2.572 744 V HA 0.006 4.301 4.120 0.292 0.000 0.291 744 V C -0.355 175.570 176.094 -0.282 0.000 1.039 744 V CA -0.423 61.615 62.300 -0.437 0.000 1.055 744 V CB 0.760 32.335 31.823 -0.414 0.000 0.969 744 V HN 0.928 nan 8.190 nan 0.000 0.482 745 C N 7.548 126.663 119.300 -0.309 0.000 2.138 745 C HA 0.369 5.004 4.460 0.292 0.000 0.398 745 C C 1.524 176.399 174.990 -0.191 0.000 1.029 745 C CA -0.446 58.466 59.018 -0.175 0.000 1.426 745 C CB -1.256 26.420 27.740 -0.107 0.000 1.652 745 C HN 0.871 nan 8.230 nan 0.000 0.486 746 V N 3.999 123.779 119.914 -0.223 0.000 2.332 746 V HA -0.147 4.148 4.120 0.292 0.000 0.248 746 V C 2.481 178.236 176.094 -0.565 0.000 1.055 746 V CA 1.871 63.963 62.300 -0.345 0.000 1.038 746 V CB -0.400 31.233 31.823 -0.317 0.000 0.651 746 V HN 0.728 nan 8.190 nan 0.000 0.450 747 E N 0.040 120.023 120.200 -0.362 0.000 2.171 747 E HA -0.259 4.266 4.350 0.292 0.000 0.197 747 E C 2.115 178.686 176.600 -0.048 0.000 0.997 747 E CA 1.337 57.602 56.400 -0.225 0.000 0.810 747 E CB -0.244 29.411 29.700 -0.075 0.000 0.738 747 E HN 0.689 nan 8.360 nan 0.000 0.467 748 Q N -0.688 119.096 119.800 -0.027 0.000 2.319 748 Q HA 0.080 4.596 4.340 0.292 0.000 0.202 748 Q C 0.047 176.163 176.000 0.194 0.000 0.896 748 Q CA -0.242 55.615 55.803 0.089 0.000 0.942 748 Q CB 0.502 29.298 28.738 0.098 0.000 1.083 748 Q HN 0.134 nan 8.270 nan 0.000 0.510 749 C N 0.216 119.609 119.300 0.155 0.000 2.463 749 C HA 0.573 5.208 4.460 0.292 0.000 0.380 749 C C 0.858 176.086 174.990 0.396 0.000 1.264 749 C CA -0.276 58.909 59.018 0.278 0.000 2.161 749 C CB 0.964 28.788 27.740 0.140 0.000 2.515 749 C HN 0.291 nan 8.230 nan 0.000 0.565 750 T N 0.676 115.448 114.554 0.363 0.000 2.630 750 T HA 0.764 5.289 4.350 0.292 0.000 0.300 750 T C -1.784 173.139 174.700 0.372 0.000 1.261 750 T CA -0.371 61.889 62.100 0.266 0.000 1.060 750 T CB 0.888 69.756 68.868 0.001 0.000 1.670 750 T HN 0.809 nan 8.240 nan 0.000 0.473 751 F N 0.054 120.056 119.950 0.087 0.000 2.645 751 F HA 0.748 5.456 4.527 0.302 0.000 0.310 751 F C -0.843 174.982 175.800 0.041 0.000 1.102 751 F CA -1.409 56.653 58.000 0.104 0.000 0.952 751 F CB 1.648 40.706 39.000 0.097 0.000 1.326 751 F HN 0.620 nan 8.300 nan 0.000 0.456 752 M N 2.773 122.429 119.600 0.093 0.000 2.120 752 M HA 0.208 4.863 4.480 0.292 0.000 0.354 752 M C -0.472 175.861 176.300 0.056 0.000 1.287 752 M CA -0.111 55.166 55.300 -0.038 0.000 1.103 752 M CB 0.479 33.108 32.600 0.048 0.000 1.623 752 M HN 0.770 nan 8.290 nan 0.000 0.471 753 D N 3.854 124.166 120.400 -0.146 0.000 2.994 753 D HA 0.197 5.012 4.640 0.292 0.000 0.240 753 D C -1.134 175.202 176.300 0.061 0.000 1.195 753 D CA 0.150 54.177 54.000 0.045 0.000 0.957 753 D CB 0.096 40.836 40.800 -0.100 0.000 1.105 753 D HN 0.602 nan 8.370 nan 0.000 0.477 754 S N -0.676 115.076 115.700 0.087 0.000 2.587 754 S HA 0.491 5.136 4.470 0.292 0.000 0.269 754 S C 0.250 174.888 174.600 0.065 0.000 1.154 754 S CA -0.960 57.272 58.200 0.055 0.000 0.824 754 S CB 1.875 65.084 63.200 0.016 0.000 1.118 754 S HN 0.150 nan 8.310 nan 0.000 0.462 755 K N -0.463 119.964 120.400 0.045 0.000 1.699 755 K HA -0.227 4.269 4.320 0.292 0.000 0.127 755 K C 0.737 177.366 176.600 0.049 0.000 1.157 755 K CA 1.822 58.133 56.287 0.041 0.000 0.341 755 K CB -1.106 31.417 32.500 0.038 0.000 0.645 755 K HN 0.621 nan 8.250 nan 0.000 0.848 756 M N 1.923 121.552 119.600 0.049 0.000 2.628 756 M HA 0.045 4.700 4.480 0.292 0.000 0.232 756 M C -0.418 175.928 176.300 0.076 0.000 1.128 756 M CA 1.028 56.356 55.300 0.046 0.000 1.040 756 M CB -0.615 32.000 32.600 0.024 0.000 1.608 756 M HN 0.351 nan 8.290 nan 0.000 0.507 757 K N -0.124 120.346 120.400 0.117 0.000 3.419 757 K HA -0.130 4.365 4.320 0.292 0.000 0.272 757 K C -2.530 174.204 176.600 0.223 0.000 0.973 757 K CA 0.221 56.627 56.287 0.199 0.000 0.749 757 K CB -1.968 30.614 32.500 0.138 0.000 1.403 757 K HN 0.306 nan 8.250 nan 0.000 0.456 758 P HA 0.112 nan 4.420 nan 0.000 0.272 758 P C 0.429 177.921 177.300 0.320 0.000 1.223 758 P CA -0.113 63.118 63.100 0.218 0.000 0.784 758 P CB 0.717 32.512 31.700 0.157 0.000 0.923 759 L N 1.737 123.174 121.223 0.356 0.000 2.325 759 L HA 0.421 4.936 4.340 0.292 0.000 0.279 759 L C 0.340 177.445 176.870 0.392 0.000 1.054 759 L CA -0.571 54.500 54.840 0.386 0.000 0.804 759 L CB 1.358 43.625 42.059 0.348 0.000 1.200 759 L HN 0.465 nan 8.230 nan 0.000 0.436 760 W N 5.558 126.957 121.300 0.166 0.000 2.318 760 W HA 0.437 5.270 4.660 0.288 0.000 0.315 760 W C -1.643 174.929 176.519 0.089 0.000 1.033 760 W CA -0.590 56.822 57.345 0.112 0.000 1.275 760 W CB 1.346 30.853 29.460 0.079 0.000 1.250 760 W HN 0.255 nan 8.180 nan 0.000 0.421 761 I N 7.948 128.498 120.570 -0.034 0.000 2.382 761 I HA 0.264 4.609 4.170 0.292 0.000 0.286 761 I C 0.117 176.120 176.117 -0.190 0.000 1.002 761 I CA -0.926 60.342 61.300 -0.054 0.000 1.135 761 I CB 1.409 39.405 38.000 -0.007 0.000 1.288 761 I HN 0.277 nan 8.210 nan 0.000 0.448 762 M N 5.866 125.348 119.600 -0.198 0.000 2.478 762 M HA 0.481 5.136 4.480 0.292 0.000 0.327 762 M C -0.875 175.194 176.300 -0.385 0.000 1.187 762 M CA -0.529 54.673 55.300 -0.164 0.000 1.022 762 M CB 1.573 34.172 32.600 -0.001 0.000 1.629 762 M HN 0.298 nan 8.290 nan 0.000 0.461 763 Y N -0.653 119.621 120.300 -0.044 0.000 2.576 763 Y HA 0.586 5.313 4.550 0.296 0.000 0.346 763 Y C 0.169 176.053 175.900 -0.027 0.000 1.018 763 Y CA -0.618 57.456 58.100 -0.044 0.000 1.050 763 Y CB 2.185 40.611 38.460 -0.057 0.000 1.280 763 Y HN 0.725 nan 8.280 nan 0.000 0.474 764 S N 0.050 115.834 115.700 0.141 0.000 2.595 764 S HA 0.806 5.451 4.470 0.292 0.000 0.281 764 S C -1.111 173.537 174.600 0.081 0.000 1.117 764 S CA -0.835 57.417 58.200 0.087 0.000 0.873 764 S CB 1.901 65.130 63.200 0.049 0.000 1.108 764 S HN 0.629 nan 8.310 nan 0.000 0.477 765 S N 0.317 116.048 115.700 0.052 0.000 2.776 765 S HA 0.341 4.986 4.470 0.292 0.000 0.284 765 S C 0.352 174.966 174.600 0.023 0.000 1.160 765 S CA -0.584 57.641 58.200 0.041 0.000 1.051 765 S CB 1.041 64.255 63.200 0.023 0.000 1.037 765 S HN 0.763 nan 8.310 nan 0.000 0.485 766 E N 2.516 122.732 120.200 0.028 0.000 2.086 766 E HA -0.225 4.300 4.350 0.292 0.000 0.200 766 E C 1.500 178.101 176.600 0.002 0.000 1.012 766 E CA 1.743 58.152 56.400 0.015 0.000 0.812 766 E CB -0.029 29.684 29.700 0.023 0.000 0.743 766 E HN 0.731 nan 8.360 nan 0.000 0.453 767 E N 0.432 120.636 120.200 0.006 0.000 2.150 767 E HA -0.095 4.431 4.350 0.292 0.000 0.193 767 E C 1.687 178.272 176.600 -0.026 0.000 0.985 767 E CA 1.288 57.685 56.400 -0.004 0.000 0.814 767 E CB -0.169 29.532 29.700 0.002 0.000 0.752 767 E HN 0.262 nan 8.360 nan 0.000 0.466 768 A N -0.348 122.454 122.820 -0.030 0.000 2.169 768 A HA 0.395 4.890 4.320 0.292 0.000 0.212 768 A C 1.534 179.081 177.584 -0.062 0.000 1.153 768 A CA 1.049 53.058 52.037 -0.047 0.000 0.756 768 A CB -0.818 18.159 19.000 -0.039 0.000 0.813 768 A HN 0.434 nan 8.150 nan 0.000 0.471 769 G N -0.533 108.231 108.800 -0.061 0.000 2.566 769 G HA2 -0.348 3.787 3.960 0.292 0.000 0.280 769 G HA3 -0.348 3.787 3.960 0.292 0.000 0.280 769 G C 1.160 176.039 174.900 -0.035 0.000 1.225 769 G CA 0.538 45.591 45.100 -0.078 0.000 0.966 769 G HN 0.653 nan 8.290 nan 0.000 0.560 770 S N 0.223 115.903 115.700 -0.034 0.000 2.392 770 S HA -0.103 4.542 4.470 0.292 0.000 0.232 770 S C 2.731 177.359 174.600 0.046 0.000 1.041 770 S CA 2.510 60.722 58.200 0.021 0.000 1.026 770 S CB -0.615 62.603 63.200 0.029 0.000 0.845 770 S HN 1.721 nan 8.310 nan 0.000 0.465 771 A N 0.497 123.340 122.820 0.039 0.000 2.209 771 A HA 0.248 4.744 4.320 0.292 0.000 0.212 771 A C 1.978 179.583 177.584 0.034 0.000 1.158 771 A CA 1.148 53.222 52.037 0.061 0.000 0.742 771 A CB -0.581 18.472 19.000 0.088 0.000 0.790 771 A HN 0.511 nan 8.150 nan 0.000 0.472 772 G N -0.646 108.166 108.800 0.019 0.000 2.939 772 G HA2 0.018 4.153 3.960 0.292 0.000 0.210 772 G HA3 0.018 4.153 3.960 0.292 0.000 0.210 772 G C 0.228 175.155 174.900 0.045 0.000 1.160 772 G CA -0.317 44.793 45.100 0.017 0.000 0.770 772 G HN 0.382 nan 8.290 nan 0.000 0.543 773 N N 1.282 120.014 118.700 0.054 0.000 2.555 773 N HA 0.351 5.266 4.740 0.292 0.000 0.244 773 N C -0.362 175.184 175.510 0.060 0.000 1.114 773 N CA 0.074 53.164 53.050 0.067 0.000 0.963 773 N CB 1.465 39.996 38.487 0.073 0.000 1.276 773 N HN 0.181 nan 8.380 nan 0.000 0.510 774 V N -1.324 118.629 119.914 0.066 0.000 3.049 774 V HA 1.018 5.313 4.120 0.292 0.000 0.309 774 V C 0.253 176.374 176.094 0.045 0.000 1.148 774 V CA -1.009 61.311 62.300 0.034 0.000 0.990 774 V CB 1.827 33.659 31.823 0.014 0.000 1.039 774 V HN 0.397 nan 8.190 nan 0.000 0.430 775 G N 1.731 110.494 108.800 -0.062 0.000 2.605 775 G HA2 0.845 4.980 3.960 0.292 0.000 0.296 775 G HA3 0.845 4.980 3.960 0.292 0.000 0.296 775 G C -1.141 173.659 174.900 -0.167 0.000 1.304 775 G CA -0.633 44.375 45.100 -0.154 0.000 0.941 775 G HN 1.663 nan 8.290 nan 0.000 0.475 776 I N -1.739 118.748 120.570 -0.139 0.000 2.730 776 I HA 0.707 5.052 4.170 0.292 0.000 0.298 776 I C -1.206 174.845 176.117 -0.110 0.000 1.089 776 I CA -1.350 59.900 61.300 -0.084 0.000 1.041 776 I CB 2.491 40.518 38.000 0.044 0.000 1.235 776 I HN 0.279 nan 8.210 nan 0.000 0.423 777 I N 4.947 125.484 120.570 -0.056 0.000 2.336 777 I HA 0.352 4.697 4.170 0.292 0.000 0.292 777 I C -0.980 175.223 176.117 0.143 0.000 0.991 777 I CA -0.493 60.834 61.300 0.045 0.000 1.227 777 I CB 1.618 39.637 38.000 0.032 0.000 1.366 777 I HN 0.497 nan 8.210 nan 0.000 0.466 778 F N 7.522 127.508 119.950 0.059 0.000 2.427 778 F HA 0.511 5.213 4.527 0.292 0.000 0.346 778 F C -0.587 175.257 175.800 0.073 0.000 1.120 778 F CA -0.445 57.589 58.000 0.056 0.000 1.033 778 F CB 0.696 39.735 39.000 0.065 0.000 1.126 778 F HN 0.278 nan 8.300 nan 0.000 0.462 779 K N 4.784 124.844 120.400 -0.567 0.000 2.426 779 K HA 0.313 4.808 4.320 0.292 0.000 0.254 779 K C -1.569 174.676 176.600 -0.592 0.000 0.936 779 K CA -1.034 55.023 56.287 -0.384 0.000 0.801 779 K CB 1.956 34.354 32.500 -0.170 0.000 1.139 779 K HN 0.608 nan 8.250 nan 0.000 0.424 780 N N 0.841 119.331 118.700 -0.351 0.000 2.410 780 N HA 0.497 5.413 4.740 0.292 0.000 0.287 780 N C 0.109 175.569 175.510 -0.083 0.000 1.044 780 N CA 0.189 53.102 53.050 -0.228 0.000 0.881 780 N CB 1.764 40.198 38.487 -0.088 0.000 1.405 780 N HN 0.666 nan 8.380 nan 0.000 0.490 781 G N 2.171 110.926 108.800 -0.075 0.000 2.901 781 G HA2 -0.138 3.997 3.960 0.292 0.000 0.194 781 G HA3 -0.138 3.997 3.960 0.292 0.000 0.194 781 G C -0.875 174.002 174.900 -0.038 0.000 1.020 781 G CA -0.422 44.656 45.100 -0.038 0.000 0.787 781 G HN 0.579 nan 8.290 nan 0.000 0.477 782 D N 1.013 121.382 120.400 -0.052 0.000 2.198 782 D HA 0.519 5.334 4.640 0.292 0.000 0.247 782 D C -1.044 175.227 176.300 -0.049 0.000 1.010 782 D CA -0.250 53.725 54.000 -0.041 0.000 0.880 782 D CB 1.966 42.748 40.800 -0.030 0.000 1.209 782 D HN 0.177 nan 8.370 nan 0.000 0.451 783 D N 1.270 121.647 120.400 -0.038 0.000 2.316 783 D HA 0.094 4.909 4.640 0.292 0.000 0.245 783 D C 0.476 176.757 176.300 -0.032 0.000 1.171 783 D CA -0.225 53.757 54.000 -0.031 0.000 0.856 783 D CB 0.645 41.433 40.800 -0.020 0.000 1.090 783 D HN 0.227 nan 8.370 nan 0.000 0.476 784 L N 3.555 124.766 121.223 -0.020 0.000 2.592 784 L HA 0.187 4.703 4.340 0.292 0.000 0.227 784 L C 2.232 179.099 176.870 -0.005 0.000 1.127 784 L CA -0.175 54.662 54.840 -0.004 0.000 0.884 784 L CB -0.068 41.995 42.059 0.006 0.000 1.065 784 L HN 0.384 nan 8.230 nan 0.000 0.457 785 R N 0.080 120.568 120.500 -0.020 0.000 2.083 785 R HA -0.234 4.282 4.340 0.292 0.000 0.237 785 R C 2.144 178.393 176.300 -0.085 0.000 1.137 785 R CA 1.636 57.714 56.100 -0.036 0.000 0.951 785 R CB -0.227 30.052 30.300 -0.036 0.000 0.851 785 R HN 0.372 nan 8.270 nan 0.000 0.434 786 Q N 0.482 120.200 119.800 -0.137 0.000 2.119 786 Q HA -0.160 4.355 4.340 0.292 0.000 0.201 786 Q C 1.300 177.185 176.000 -0.192 0.000 0.972 786 Q CA 1.492 57.140 55.803 -0.258 0.000 0.847 786 Q CB 0.175 28.667 28.738 -0.409 0.000 0.903 786 Q HN 0.302 nan 8.270 nan 0.000 0.433 787 D N 0.330 120.694 120.400 -0.060 0.000 2.097 787 D HA -0.219 4.596 4.640 0.292 0.000 0.195 787 D C 1.818 178.141 176.300 0.038 0.000 0.989 787 D CA 1.342 55.388 54.000 0.078 0.000 0.827 787 D CB -0.251 40.647 40.800 0.164 0.000 0.966 787 D HN 0.381 nan 8.370 nan 0.000 0.456 788 M N 0.412 120.018 119.600 0.009 0.000 2.117 788 M HA -0.173 4.482 4.480 0.292 0.000 0.262 788 M C 2.150 178.412 176.300 -0.065 0.000 1.065 788 M CA 1.127 56.423 55.300 -0.005 0.000 1.114 788 M CB 0.027 32.638 32.600 0.018 0.000 1.361 788 M HN 0.017 nan 8.290 nan 0.000 0.408 789 L N 0.237 121.406 121.223 -0.090 0.000 2.017 789 L HA -0.125 4.390 4.340 0.292 0.000 0.208 789 L C 2.078 178.904 176.870 -0.074 0.000 1.073 789 L CA 2.228 57.001 54.840 -0.110 0.000 0.745 789 L CB -1.130 40.864 42.059 -0.107 0.000 0.894 789 L HN 0.293 nan 8.230 nan 0.000 0.432 790 T N 0.176 114.683 114.554 -0.079 0.000 2.652 790 T HA -0.204 4.322 4.350 0.292 0.000 0.267 790 T C 1.970 176.536 174.700 -0.223 0.000 1.039 790 T CA 2.090 64.100 62.100 -0.150 0.000 1.153 790 T CB -0.456 68.151 68.868 -0.435 0.000 0.863 790 T HN 0.320 nan 8.240 nan 0.000 0.428 791 L N 0.688 121.796 121.223 -0.191 0.000 2.046 791 L HA -0.158 4.358 4.340 0.292 0.000 0.208 791 L C 2.970 179.761 176.870 -0.131 0.000 1.077 791 L CA 1.399 56.153 54.840 -0.144 0.000 0.747 791 L CB -0.579 41.398 42.059 -0.137 0.000 0.896 791 L HN 0.319 nan 8.230 nan 0.000 0.432 792 Q N -0.926 118.798 119.800 -0.128 0.000 2.084 792 Q HA -0.197 4.318 4.340 0.292 0.000 0.202 792 Q C 2.347 178.278 176.000 -0.116 0.000 0.978 792 Q CA 1.243 56.957 55.803 -0.149 0.000 0.844 792 Q CB -0.056 28.575 28.738 -0.178 0.000 0.898 792 Q HN 0.451 nan 8.270 nan 0.000 0.426 793 M N -0.036 119.529 119.600 -0.057 0.000 2.175 793 M HA -0.118 4.537 4.480 0.292 0.000 0.264 793 M C 2.120 178.433 176.300 0.021 0.000 1.063 793 M CA 1.314 56.653 55.300 0.066 0.000 1.119 793 M CB -0.645 32.078 32.600 0.206 0.000 1.377 793 M HN 0.247 nan 8.290 nan 0.000 0.415 794 I N 0.319 120.848 120.570 -0.068 0.000 2.252 794 I HA -0.322 4.023 4.170 0.292 0.000 0.245 794 I C 2.566 178.579 176.117 -0.174 0.000 1.102 794 I CA 1.269 62.492 61.300 -0.129 0.000 1.385 794 I CB -0.440 37.514 38.000 -0.076 0.000 1.064 794 I HN 0.336 nan 8.210 nan 0.000 0.414 795 Q N 1.408 121.127 119.800 -0.136 0.000 2.170 795 Q HA -0.227 4.289 4.340 0.292 0.000 0.203 795 Q C 2.085 177.975 176.000 -0.183 0.000 0.976 795 Q CA 1.731 57.450 55.803 -0.140 0.000 0.858 795 Q CB -0.617 28.048 28.738 -0.122 0.000 0.907 795 Q HN 0.444 nan 8.270 nan 0.000 0.433 796 L N -0.062 121.053 121.223 -0.181 0.000 2.046 796 L HA -0.018 4.497 4.340 0.292 0.000 0.208 796 L C 2.154 178.850 176.870 -0.289 0.000 1.077 796 L CA 1.878 56.589 54.840 -0.216 0.000 0.747 796 L CB -0.500 41.433 42.059 -0.211 0.000 0.896 796 L HN 0.389 nan 8.230 nan 0.000 0.432 797 M N -0.672 118.731 119.600 -0.328 0.000 2.080 797 M HA -0.241 4.415 4.480 0.292 0.000 0.260 797 M C 2.027 177.642 176.300 -1.142 0.000 1.068 797 M CA 2.203 57.005 55.300 -0.830 0.000 1.109 797 M CB -0.734 31.200 32.600 -1.110 0.000 1.342 797 M HN 0.318 nan 8.290 nan 0.000 0.405 798 D N 0.232 120.243 120.400 -0.649 0.000 2.104 798 D HA -0.135 4.680 4.640 0.292 0.000 0.194 798 D C 1.779 178.018 176.300 -0.102 0.000 0.994 798 D CA 1.266 55.152 54.000 -0.189 0.000 0.830 798 D CB 0.051 40.816 40.800 -0.059 0.000 0.959 798 D HN 0.089 nan 8.370 nan 0.000 0.452 799 V N 0.437 120.249 119.914 -0.170 0.000 2.287 799 V HA -0.245 4.050 4.120 0.292 0.000 0.248 799 V C 2.646 178.655 176.094 -0.141 0.000 1.053 799 V CA 1.508 63.727 62.300 -0.135 0.000 1.027 799 V CB -0.541 31.185 31.823 -0.162 0.000 0.646 799 V HN 0.311 nan 8.190 nan 0.000 0.447 800 L N -1.781 119.291 121.223 -0.251 0.000 2.093 800 L HA -0.146 4.369 4.340 0.292 0.000 0.208 800 L C 2.573 179.446 176.870 0.004 0.000 1.085 800 L CA 1.425 56.115 54.840 -0.250 0.000 0.755 800 L CB -0.621 41.179 42.059 -0.431 0.000 0.904 800 L HN 0.390 nan 8.230 nan 0.000 0.435 801 W N 1.109 122.393 121.300 -0.027 0.000 2.355 801 W HA -0.127 4.708 4.660 0.292 0.000 0.309 801 W C 2.542 179.050 176.519 -0.017 0.000 1.206 801 W CA 0.772 58.111 57.345 -0.010 0.000 1.284 801 W CB -0.878 28.571 29.460 -0.019 0.000 1.145 801 W HN 0.113 nan 8.180 nan 0.000 0.502 802 K N 0.231 120.752 120.400 0.201 0.000 2.103 802 K HA -0.201 4.294 4.320 0.292 0.000 0.207 802 K C 1.930 178.565 176.600 0.058 0.000 1.048 802 K CA 1.539 57.886 56.287 0.100 0.000 0.930 802 K CB -0.435 32.099 32.500 0.057 0.000 0.716 802 K HN 0.245 nan 8.250 nan 0.000 0.444 803 Q N 0.451 120.276 119.800 0.041 0.000 2.291 803 Q HA -0.126 4.389 4.340 0.292 0.000 0.206 803 Q C 0.726 176.762 176.000 0.060 0.000 0.976 803 Q CA 0.908 56.727 55.803 0.027 0.000 0.875 803 Q CB 0.217 28.954 28.738 -0.001 0.000 0.927 803 Q HN 0.327 nan 8.270 nan 0.000 0.450 804 E N -0.765 119.494 120.200 0.097 0.000 2.451 804 E HA 0.137 4.663 4.350 0.292 0.000 0.194 804 E C 0.559 177.203 176.600 0.073 0.000 1.027 804 E CA 0.356 56.813 56.400 0.095 0.000 0.914 804 E CB 0.958 30.734 29.700 0.128 0.000 1.054 804 E HN 0.413 nan 8.360 nan 0.000 0.461 805 G N 1.961 110.799 108.800 0.063 0.000 2.147 805 G HA2 -0.273 3.862 3.960 0.292 0.000 0.244 805 G HA3 -0.273 3.862 3.960 0.292 0.000 0.244 805 G C -0.176 174.749 174.900 0.041 0.000 1.005 805 G CA 0.301 45.429 45.100 0.047 0.000 0.713 805 G HN 0.258 nan 8.290 nan 0.000 0.515 806 L N 1.069 122.326 121.223 0.057 0.000 2.294 806 L HA 0.732 5.247 4.340 0.292 0.000 0.283 806 L C -0.753 176.135 176.870 0.029 0.000 1.015 806 L CA -1.218 53.625 54.840 0.006 0.000 0.831 806 L CB 1.666 43.698 42.059 -0.044 0.000 1.217 806 L HN 0.102 nan 8.230 nan 0.000 0.420 807 D N 4.809 125.198 120.400 -0.019 0.000 2.454 807 D HA 0.224 5.039 4.640 0.292 0.000 0.225 807 D C 0.364 176.616 176.300 -0.080 0.000 1.081 807 D CA -0.116 53.883 54.000 -0.002 0.000 0.864 807 D CB 0.834 41.640 40.800 0.011 0.000 1.040 807 D HN 0.616 nan 8.370 nan 0.000 0.517 808 L N 3.746 124.940 121.223 -0.049 0.000 2.653 808 L HA 0.186 4.702 4.340 0.292 0.000 0.232 808 L C 0.509 177.370 176.870 -0.015 0.000 1.169 808 L CA -0.313 54.455 54.840 -0.120 0.000 0.951 808 L CB -0.194 41.717 42.059 -0.247 0.000 1.181 808 L HN 0.272 nan 8.230 nan 0.000 0.460 809 R N -0.472 120.028 120.500 -0.000 0.000 3.333 809 R HA -0.153 4.362 4.340 0.292 0.000 0.256 809 R C -0.061 176.318 176.300 0.131 0.000 1.010 809 R CA 0.690 56.802 56.100 0.019 0.000 0.680 809 R CB -1.993 28.304 30.300 -0.006 0.000 1.102 809 R HN 0.303 nan 8.270 nan 0.000 0.440 810 M N -0.238 119.453 119.600 0.152 0.000 2.163 810 M HA 0.188 4.844 4.480 0.292 0.000 0.305 810 M C 0.918 177.368 176.300 0.250 0.000 1.166 810 M CA 0.384 55.832 55.300 0.246 0.000 1.132 810 M CB 0.393 33.070 32.600 0.129 0.000 1.413 810 M HN 0.002 nan 8.290 nan 0.000 0.478 811 T N 2.647 117.414 114.554 0.356 0.000 3.327 811 T HA 0.338 4.863 4.350 0.292 0.000 0.373 811 T C -2.331 172.453 174.700 0.140 0.000 1.589 811 T CA -0.938 61.266 62.100 0.173 0.000 1.497 811 T CB 0.239 69.094 68.868 -0.021 0.000 1.032 811 T HN 0.362 nan 8.240 nan 0.000 0.640 812 P HA 0.142 nan 4.420 nan 0.000 0.237 812 P C -0.326 176.950 177.300 -0.039 0.000 1.788 812 P CA -0.532 62.556 63.100 -0.020 0.000 1.061 812 P CB -0.972 30.722 31.700 -0.010 0.000 1.967 813 Y N -0.311 119.990 120.300 0.002 0.000 2.480 813 Y HA 0.511 5.237 4.550 0.293 0.000 0.338 813 Y C 0.925 176.850 175.900 0.041 0.000 1.220 813 Y CA -1.277 56.810 58.100 -0.021 0.000 1.430 813 Y CB -0.136 38.264 38.460 -0.101 0.000 1.311 813 Y HN 0.218 nan 8.280 nan 0.000 0.575 814 G N 0.867 109.800 108.800 0.220 0.000 2.483 814 G HA2 0.335 4.470 3.960 0.292 0.000 0.248 814 G HA3 0.335 4.470 3.960 0.292 0.000 0.248 814 G C -1.288 173.748 174.900 0.227 0.000 1.248 814 G CA -0.335 44.866 45.100 0.168 0.000 0.838 814 G HN 1.085 nan 8.290 nan 0.000 0.566 815 C N 3.237 122.632 119.300 0.157 0.000 2.607 815 C HA 0.691 5.326 4.460 0.292 0.000 0.350 815 C C -1.085 173.985 174.990 0.134 0.000 1.101 815 C CA -0.870 58.244 59.018 0.160 0.000 1.282 815 C CB 0.307 28.140 27.740 0.156 0.000 1.825 815 C HN 0.803 nan 8.230 nan 0.000 0.460 816 L N 8.683 129.972 121.223 0.110 0.000 2.491 816 L HA 0.665 5.180 4.340 0.292 0.000 0.267 816 L C -2.599 174.302 176.870 0.052 0.000 0.971 816 L CA -1.274 53.633 54.840 0.113 0.000 0.857 816 L CB 2.154 44.272 42.059 0.098 0.000 1.226 816 L HN 0.469 nan 8.230 nan 0.000 0.408 817 P HA 0.333 nan 4.420 nan 0.000 0.271 817 P C -0.018 177.336 177.300 0.089 0.000 1.216 817 P CA -0.108 63.033 63.100 0.068 0.000 0.771 817 P CB 0.845 32.608 31.700 0.104 0.000 0.864 818 T N -0.585 113.999 114.554 0.049 0.000 2.958 818 T HA 0.497 5.022 4.350 0.292 0.000 0.256 818 T C 0.686 175.520 174.700 0.224 0.000 0.983 818 T CA 0.211 62.375 62.100 0.107 0.000 0.924 818 T CB 0.086 68.874 68.868 -0.133 0.000 1.136 818 T HN 0.498 nan 8.240 nan 0.000 0.506 819 G N 0.470 109.341 108.800 0.118 0.000 2.561 819 G HA2 0.428 4.563 3.960 0.292 0.000 0.310 819 G HA3 0.428 4.563 3.960 0.292 0.000 0.310 819 G C -2.066 172.762 174.900 -0.121 0.000 1.292 819 G CA -0.640 44.504 45.100 0.073 0.000 0.811 819 G HN 0.032 nan 8.290 nan 0.000 0.482 820 D N 0.580 120.770 120.400 -0.350 0.000 2.349 820 D HA 0.181 4.997 4.640 0.292 0.000 0.266 820 D C 1.008 177.122 176.300 -0.309 0.000 1.293 820 D CA 0.145 53.701 54.000 -0.740 0.000 0.926 820 D CB -0.010 40.395 40.800 -0.658 0.000 1.090 820 D HN 0.510 nan 8.370 nan 0.000 0.502 821 R N 1.905 122.272 120.500 -0.222 0.000 3.405 821 R HA -0.166 4.350 4.340 0.292 0.000 0.258 821 R C -0.427 175.791 176.300 -0.136 0.000 1.030 821 R CA 0.928 56.956 56.100 -0.121 0.000 0.691 821 R CB -2.012 28.234 30.300 -0.090 0.000 1.093 821 R HN 0.389 nan 8.270 nan 0.000 0.448 822 T N -1.108 113.361 114.554 -0.141 0.000 2.912 822 T HA 0.756 5.281 4.350 0.292 0.000 0.299 822 T C 0.236 174.835 174.700 -0.167 0.000 1.052 822 T CA -0.136 61.841 62.100 -0.206 0.000 0.996 822 T CB 2.361 71.158 68.868 -0.117 0.000 1.070 822 T HN 0.437 nan 8.240 nan 0.000 0.465 823 G N 1.117 109.757 108.800 -0.266 0.000 2.428 823 G HA2 0.613 4.748 3.960 0.292 0.000 0.304 823 G HA3 0.613 4.748 3.960 0.292 0.000 0.304 823 G C -2.338 172.467 174.900 -0.159 0.000 1.303 823 G CA -0.766 44.242 45.100 -0.152 0.000 0.825 823 G HN 0.707 nan 8.290 nan 0.000 0.484 824 L N -0.088 121.103 121.223 -0.054 0.000 2.354 824 L HA 0.714 5.229 4.340 0.292 0.000 0.269 824 L C -0.807 176.088 176.870 0.043 0.000 1.005 824 L CA -0.906 53.938 54.840 0.006 0.000 0.819 824 L CB 2.293 44.356 42.059 0.008 0.000 1.311 824 L HN 0.386 nan 8.230 nan 0.000 0.423 825 I N 1.159 121.763 120.570 0.057 0.000 2.545 825 I HA 0.238 4.583 4.170 0.292 0.000 0.292 825 I C -0.167 175.976 176.117 0.042 0.000 1.040 825 I CA -0.490 60.870 61.300 0.100 0.000 1.068 825 I CB 2.408 40.465 38.000 0.094 0.000 1.251 825 I HN 0.593 nan 8.210 nan 0.000 0.424 826 E N 5.270 125.525 120.200 0.092 0.000 2.324 826 E HA 0.211 4.736 4.350 0.292 0.000 0.271 826 E C -0.907 175.630 176.600 -0.104 0.000 1.028 826 E CA -0.489 55.921 56.400 0.017 0.000 0.890 826 E CB 1.101 30.858 29.700 0.095 0.000 1.004 826 E HN 0.351 nan 8.360 nan 0.000 0.431 827 V N 5.085 124.878 119.914 -0.202 0.000 2.585 827 V HA -0.015 4.280 4.120 0.292 0.000 0.296 827 V C 0.077 176.078 176.094 -0.156 0.000 1.035 827 V CA -0.056 62.055 62.300 -0.315 0.000 1.084 827 V CB 1.211 32.666 31.823 -0.614 0.000 0.953 827 V HN 0.471 nan 8.190 nan 0.000 0.483 828 V N 7.506 127.367 119.914 -0.089 0.000 2.311 828 V HA 0.335 4.630 4.120 0.292 0.000 0.275 828 V C 0.278 176.443 176.094 0.118 0.000 1.022 828 V CA -0.348 61.950 62.300 -0.003 0.000 0.830 828 V CB 1.083 32.843 31.823 -0.105 0.000 1.012 828 V HN 0.614 nan 8.190 nan 0.000 0.452 829 L N 4.433 125.698 121.223 0.069 0.000 2.476 829 L HA 0.410 4.925 4.340 0.292 0.000 0.255 829 L C 1.075 177.980 176.870 0.059 0.000 1.218 829 L CA -0.501 54.321 54.840 -0.029 0.000 0.819 829 L CB 0.040 41.927 42.059 -0.287 0.000 1.119 829 L HN 0.742 nan 8.230 nan 0.000 0.485 830 H N -0.915 118.294 119.070 0.232 0.000 2.713 830 H HA -0.134 4.598 4.556 0.293 0.000 0.311 830 H C -0.182 175.330 175.328 0.305 0.000 1.175 830 H CA 0.686 56.873 56.048 0.231 0.000 1.143 830 H CB -1.867 28.003 29.762 0.180 0.000 1.434 830 H HN 0.627 nan 8.280 nan 0.000 0.418 831 S N -0.902 115.008 115.700 0.350 0.000 2.595 831 S HA 0.707 5.352 4.470 0.292 0.000 0.281 831 S C -0.799 173.909 174.600 0.179 0.000 1.117 831 S CA -0.939 57.456 58.200 0.325 0.000 0.873 831 S CB 4.170 67.607 63.200 0.395 0.000 1.108 831 S HN 0.179 nan 8.310 nan 0.000 0.477 832 D N 0.366 120.764 120.400 -0.003 0.000 2.570 832 D HA 0.564 5.379 4.640 0.292 0.000 0.244 832 D C -0.641 175.504 176.300 -0.259 0.000 1.178 832 D CA -0.154 53.771 54.000 -0.125 0.000 0.881 832 D CB 2.319 43.014 40.800 -0.176 0.000 1.453 832 D HN 0.810 nan 8.370 nan 0.000 0.447 833 T N 0.064 114.482 114.554 -0.226 0.000 2.913 833 T HA 0.191 4.716 4.350 0.292 0.000 0.297 833 T C 1.910 176.454 174.700 -0.260 0.000 1.029 833 T CA -0.667 61.288 62.100 -0.241 0.000 1.104 833 T CB 0.530 69.295 68.868 -0.173 0.000 0.964 833 T HN 0.280 nan 8.240 nan 0.000 0.532 834 I N 1.725 122.168 120.570 -0.213 0.000 2.208 834 I HA -0.168 4.177 4.170 0.292 0.000 0.245 834 I C 2.901 178.955 176.117 -0.106 0.000 1.097 834 I CA 1.734 62.955 61.300 -0.131 0.000 1.363 834 I CB -2.169 35.855 38.000 0.041 0.000 1.051 834 I HN 0.912 nan 8.210 nan 0.000 0.413 835 A N 0.955 123.717 122.820 -0.097 0.000 1.883 835 A HA -0.280 4.215 4.320 0.292 0.000 0.217 835 A C 2.190 179.718 177.584 -0.093 0.000 1.186 835 A CA 2.280 54.267 52.037 -0.083 0.000 0.624 835 A CB -0.962 17.984 19.000 -0.090 0.000 0.822 835 A HN 0.465 nan 8.150 nan 0.000 0.444 836 N N 0.075 118.703 118.700 -0.120 0.000 2.166 836 N HA -0.098 4.817 4.740 0.292 0.000 0.186 836 N C 1.439 176.883 175.510 -0.111 0.000 1.019 836 N CA 1.755 54.739 53.050 -0.110 0.000 0.856 836 N CB -0.409 38.005 38.487 -0.121 0.000 0.993 836 N HN 0.545 nan 8.380 nan 0.000 0.426 837 I N 0.324 120.784 120.570 -0.183 0.000 2.252 837 I HA -0.223 4.122 4.170 0.292 0.000 0.245 837 I C 1.870 177.945 176.117 -0.070 0.000 1.102 837 I CA 0.969 62.156 61.300 -0.189 0.000 1.385 837 I CB -0.263 37.491 38.000 -0.410 0.000 1.064 837 I HN 0.214 nan 8.210 nan 0.000 0.414 838 Q N 0.483 120.249 119.800 -0.056 0.000 2.500 838 Q HA -0.060 4.455 4.340 0.292 0.000 0.213 838 Q C 2.171 178.165 176.000 -0.009 0.000 0.974 838 Q CA 0.656 56.453 55.803 -0.011 0.000 0.918 838 Q CB -0.009 28.731 28.738 0.002 0.000 0.980 838 Q HN 0.574 nan 8.270 nan 0.000 0.505 839 L N 0.391 121.600 121.223 -0.023 0.000 2.191 839 L HA -0.140 4.375 4.340 0.292 0.000 0.212 839 L C 0.604 177.472 176.870 -0.004 0.000 1.103 839 L CA 0.314 55.144 54.840 -0.018 0.000 0.769 839 L CB -0.459 41.584 42.059 -0.027 0.000 0.908 839 L HN 0.368 nan 8.230 nan 0.000 0.438 840 N N 1.150 119.856 118.700 0.009 0.000 2.696 840 N HA -0.190 4.725 4.740 0.292 0.000 0.256 840 N C -0.321 175.198 175.510 0.014 0.000 1.031 840 N CA 0.579 53.642 53.050 0.022 0.000 0.730 840 N CB -0.810 37.689 38.487 0.019 0.000 0.894 840 N HN 0.301 nan 8.380 nan 0.000 0.544 841 K N 0.290 120.701 120.400 0.019 0.000 2.326 841 K HA 0.223 4.718 4.320 0.292 0.000 0.275 841 K C 0.885 177.494 176.600 0.015 0.000 1.018 841 K CA 0.071 56.365 56.287 0.012 0.000 0.962 841 K CB 0.506 33.014 32.500 0.013 0.000 0.953 841 K HN 0.506 nan 8.250 nan 0.000 0.475 842 S N 2.076 117.779 115.700 0.005 0.000 2.624 842 S HA 0.126 4.772 4.470 0.292 0.000 0.263 842 S C 0.220 174.823 174.600 0.006 0.000 1.287 842 S CA -0.809 57.393 58.200 0.002 0.000 0.990 842 S CB 0.483 63.679 63.200 -0.007 0.000 0.950 842 S HN 0.719 nan 8.310 nan 0.000 0.561 843 N N -0.045 118.657 118.700 0.004 0.000 2.727 843 N HA -0.110 4.806 4.740 0.292 0.000 0.249 843 N C -0.983 174.534 175.510 0.012 0.000 1.048 843 N CA 1.074 54.127 53.050 0.005 0.000 0.714 843 N CB -1.279 37.209 38.487 0.001 0.000 0.959 843 N HN 0.617 nan 8.380 nan 0.000 0.544 844 M N -1.696 117.915 119.600 0.019 0.000 2.619 844 M HA 0.513 5.169 4.480 0.292 0.000 0.297 844 M C 1.352 177.669 176.300 0.028 0.000 1.229 844 M CA -0.652 54.667 55.300 0.031 0.000 0.860 844 M CB 1.349 33.981 32.600 0.054 0.000 1.741 844 M HN -0.079 nan 8.290 nan 0.000 0.462 845 A N 0.834 123.669 122.820 0.024 0.000 1.969 845 A HA 0.138 4.634 4.320 0.292 0.000 0.218 845 A C 1.679 179.280 177.584 0.029 0.000 1.169 845 A CA 2.015 54.057 52.037 0.009 0.000 0.635 845 A CB -0.507 18.478 19.000 -0.025 0.000 0.810 845 A HN 0.884 nan 8.150 nan 0.000 0.445 846 A N -0.775 122.087 122.820 0.070 0.000 2.238 846 A HA 0.274 4.769 4.320 0.292 0.000 0.208 846 A C 0.995 178.632 177.584 0.088 0.000 1.177 846 A CA 0.495 52.599 52.037 0.113 0.000 0.804 846 A CB -0.803 18.336 19.000 0.232 0.000 0.823 846 A HN 0.273 nan 8.150 nan 0.000 0.482 847 T N 2.149 116.737 114.554 0.057 0.000 2.792 847 T HA 0.373 4.898 4.350 0.292 0.000 0.286 847 T C 0.241 174.958 174.700 0.028 0.000 0.970 847 T CA 0.846 62.967 62.100 0.036 0.000 1.187 847 T CB 0.285 69.164 68.868 0.018 0.000 0.915 847 T HN 0.510 nan 8.240 nan 0.000 0.529 848 A N 2.742 125.576 122.820 0.024 0.000 2.350 848 A HA 0.784 5.279 4.320 0.292 0.000 0.324 848 A C 1.282 178.839 177.584 -0.045 0.000 1.118 848 A CA -0.415 51.637 52.037 0.024 0.000 0.783 848 A CB 0.993 20.035 19.000 0.071 0.000 1.236 848 A HN 0.856 nan 8.150 nan 0.000 0.457 849 A N 1.444 124.212 122.820 -0.087 0.000 1.972 849 A HA 0.267 4.762 4.320 0.292 0.000 0.219 849 A C 0.238 177.425 177.584 -0.663 0.000 1.169 849 A CA 1.257 53.088 52.037 -0.344 0.000 0.635 849 A CB -0.369 18.424 19.000 -0.345 0.000 0.810 849 A HN 0.711 nan 8.150 nan 0.000 0.446 850 F N -2.211 117.735 119.950 -0.007 0.000 2.540 850 F HA 0.371 5.073 4.527 0.292 0.000 0.317 850 F C 0.790 176.579 175.800 -0.018 0.000 1.104 850 F CA -0.798 57.187 58.000 -0.025 0.000 0.913 850 F CB 1.463 40.435 39.000 -0.046 0.000 1.170 850 F HN 0.073 nan 8.300 nan 0.000 0.450 851 N N 2.326 121.107 118.700 0.135 0.000 2.149 851 N HA -0.246 4.669 4.740 0.292 0.000 0.188 851 N C 1.864 177.425 175.510 0.086 0.000 1.019 851 N CA 2.013 55.114 53.050 0.085 0.000 0.857 851 N CB 0.001 38.525 38.487 0.063 0.000 0.997 851 N HN 0.697 nan 8.380 nan 0.000 0.426 852 K N -0.755 119.684 120.400 0.065 0.000 2.286 852 K HA -0.154 4.342 4.320 0.292 0.000 0.203 852 K C 0.391 176.978 176.600 -0.021 0.000 1.045 852 K CA 1.726 57.997 56.287 -0.026 0.000 0.935 852 K CB 0.011 32.407 32.500 -0.172 0.000 0.737 852 K HN 0.197 nan 8.250 nan 0.000 0.460 853 D N 0.665 121.117 120.400 0.087 0.000 2.339 853 D HA 0.139 4.954 4.640 0.292 0.000 0.217 853 D C 1.697 178.084 176.300 0.144 0.000 1.050 853 D CA 0.632 54.733 54.000 0.169 0.000 0.856 853 D CB 0.417 41.337 40.800 0.201 0.000 0.922 853 D HN 0.373 nan 8.370 nan 0.000 0.518 854 A N 0.904 123.795 122.820 0.118 0.000 1.892 854 A HA -0.174 4.321 4.320 0.292 0.000 0.218 854 A C 2.170 179.838 177.584 0.141 0.000 1.188 854 A CA 0.935 53.040 52.037 0.114 0.000 0.631 854 A CB -0.744 18.304 19.000 0.080 0.000 0.822 854 A HN 0.280 nan 8.150 nan 0.000 0.447 855 L N -1.317 119.978 121.223 0.121 0.000 2.027 855 L HA -0.139 4.376 4.340 0.292 0.000 0.206 855 L C 2.555 179.508 176.870 0.139 0.000 1.074 855 L CA 1.504 56.412 54.840 0.114 0.000 0.745 855 L CB -0.305 41.806 42.059 0.086 0.000 0.898 855 L HN 0.480 nan 8.230 nan 0.000 0.433 856 L N 0.326 121.602 121.223 0.088 0.000 2.046 856 L HA -0.218 4.297 4.340 0.292 0.000 0.208 856 L C 2.134 179.057 176.870 0.088 0.000 1.077 856 L CA 1.714 56.578 54.840 0.040 0.000 0.747 856 L CB -0.910 41.155 42.059 0.010 0.000 0.896 856 L HN 0.247 nan 8.230 nan 0.000 0.432 857 N N -1.132 117.641 118.700 0.121 0.000 2.104 857 N HA -0.265 4.651 4.740 0.292 0.000 0.190 857 N C 1.503 177.097 175.510 0.141 0.000 1.024 857 N CA 1.673 54.790 53.050 0.112 0.000 0.853 857 N CB -0.697 37.858 38.487 0.113 0.000 1.008 857 N HN 0.604 nan 8.380 nan 0.000 0.424 858 W N 1.478 122.783 121.300 0.009 0.000 2.355 858 W HA -0.011 4.824 4.660 0.291 0.000 0.309 858 W C 1.927 178.451 176.519 0.009 0.000 1.206 858 W CA 1.013 58.365 57.345 0.013 0.000 1.284 858 W CB -0.392 29.080 29.460 0.020 0.000 1.145 858 W HN 0.000 nan 8.180 nan 0.000 0.502 859 L N 0.600 121.986 121.223 0.271 0.000 2.093 859 L HA -0.214 4.301 4.340 0.292 0.000 0.208 859 L C 2.454 179.287 176.870 -0.061 0.000 1.085 859 L CA 1.553 56.447 54.840 0.089 0.000 0.755 859 L CB -0.680 41.461 42.059 0.138 0.000 0.904 859 L HN 0.004 nan 8.230 nan 0.000 0.435 860 K N -0.255 120.127 120.400 -0.029 0.000 2.057 860 K HA -0.171 4.324 4.320 0.292 0.000 0.207 860 K C 2.266 178.809 176.600 -0.094 0.000 1.049 860 K CA 1.761 58.020 56.287 -0.047 0.000 0.931 860 K CB -0.184 32.306 32.500 -0.016 0.000 0.714 860 K HN 0.356 nan 8.250 nan 0.000 0.440 861 S N 1.027 116.646 115.700 -0.135 0.000 2.399 861 S HA -0.086 4.559 4.470 0.292 0.000 0.231 861 S C 1.680 176.134 174.600 -0.245 0.000 1.022 861 S CA 0.938 59.034 58.200 -0.173 0.000 0.983 861 S CB -0.020 63.067 63.200 -0.189 0.000 0.803 861 S HN 0.098 nan 8.310 nan 0.000 0.480 862 K N 1.703 121.884 120.400 -0.364 0.000 2.361 862 K HA 0.247 4.743 4.320 0.292 0.000 0.196 862 K C 0.021 176.501 176.600 -0.199 0.000 1.039 862 K CA 0.247 56.317 56.287 -0.363 0.000 1.001 862 K CB -0.148 31.986 32.500 -0.609 0.000 0.795 862 K HN 0.477 nan 8.250 nan 0.000 0.495 863 N N 1.780 120.393 118.700 -0.144 0.000 2.752 863 N HA 0.179 5.094 4.740 0.292 0.000 0.260 863 N C -2.809 172.668 175.510 -0.054 0.000 1.562 863 N CA -0.956 52.048 53.050 -0.077 0.000 0.788 863 N CB 2.096 40.556 38.487 -0.045 0.000 1.192 863 N HN 0.002 nan 8.380 nan 0.000 0.503 864 P HA 0.145 nan 4.420 nan 0.000 0.274 864 P C 1.036 178.323 177.300 -0.022 0.000 1.231 864 P CA 0.748 63.826 63.100 -0.037 0.000 0.790 864 P CB 0.950 32.627 31.700 -0.038 0.000 0.951 865 G N 2.695 111.486 108.800 -0.016 0.000 2.611 865 G HA2 -0.351 3.784 3.960 0.292 0.000 0.301 865 G HA3 -0.351 3.784 3.960 0.292 0.000 0.301 865 G C 0.955 175.853 174.900 -0.003 0.000 1.233 865 G CA 0.666 45.761 45.100 -0.008 0.000 0.993 865 G HN 0.569 nan 8.290 nan 0.000 0.553 866 E N 0.997 121.198 120.200 0.001 0.000 2.333 866 E HA 0.094 4.619 4.350 0.292 0.000 0.198 866 E C 2.766 179.373 176.600 0.011 0.000 1.007 866 E CA 1.016 57.421 56.400 0.008 0.000 0.845 866 E CB -0.225 29.481 29.700 0.010 0.000 0.766 866 E HN 0.739 nan 8.360 nan 0.000 0.507 867 A N 1.364 124.187 122.820 0.005 0.000 2.067 867 A HA -0.114 4.382 4.320 0.292 0.000 0.219 867 A C 2.123 179.714 177.584 0.012 0.000 1.158 867 A CA 0.582 52.624 52.037 0.009 0.000 0.661 867 A CB -0.336 18.662 19.000 -0.003 0.000 0.801 867 A HN 0.219 nan 8.150 nan 0.000 0.452 868 L N 0.435 121.661 121.223 0.004 0.000 2.017 868 L HA -0.182 4.334 4.340 0.292 0.000 0.208 868 L C 1.609 178.492 176.870 0.021 0.000 1.073 868 L CA 2.639 57.482 54.840 0.005 0.000 0.745 868 L CB -0.786 41.269 42.059 -0.006 0.000 0.894 868 L HN 0.358 nan 8.230 nan 0.000 0.432 869 D N -0.641 119.773 120.400 0.024 0.000 2.133 869 D HA -0.248 4.568 4.640 0.292 0.000 0.192 869 D C 2.287 178.622 176.300 0.058 0.000 1.001 869 D CA 1.490 55.513 54.000 0.038 0.000 0.844 869 D CB -0.192 40.630 40.800 0.037 0.000 0.944 869 D HN 0.168 nan 8.370 nan 0.000 0.447 870 R N 0.773 121.309 120.500 0.059 0.000 2.092 870 R HA 0.079 4.594 4.340 0.292 0.000 0.231 870 R C 1.854 178.210 176.300 0.093 0.000 1.119 870 R CA 1.543 57.689 56.100 0.077 0.000 0.970 870 R CB -0.782 29.562 30.300 0.074 0.000 0.864 870 R HN 0.130 nan 8.270 nan 0.000 0.440 871 A N 0.409 123.279 122.820 0.084 0.000 1.902 871 A HA -0.083 4.412 4.320 0.292 0.000 0.217 871 A C 2.304 179.975 177.584 0.146 0.000 1.181 871 A CA 1.578 53.682 52.037 0.111 0.000 0.623 871 A CB -0.583 18.466 19.000 0.081 0.000 0.818 871 A HN 0.353 nan 8.150 nan 0.000 0.443 872 I N -0.641 119.989 120.570 0.100 0.000 2.286 872 I HA -0.245 4.100 4.170 0.292 0.000 0.248 872 I C 2.542 178.773 176.117 0.189 0.000 1.115 872 I CA 1.764 63.126 61.300 0.103 0.000 1.392 872 I CB -0.217 37.802 38.000 0.032 0.000 1.065 872 I HN 0.416 nan 8.210 nan 0.000 0.418 873 E N 1.246 121.542 120.200 0.159 0.000 2.077 873 E HA -0.223 4.302 4.350 0.292 0.000 0.193 873 E C 2.037 178.739 176.600 0.170 0.000 0.989 873 E CA 1.412 57.917 56.400 0.174 0.000 0.800 873 E CB -0.039 29.741 29.700 0.135 0.000 0.746 873 E HN 0.347 nan 8.360 nan 0.000 0.452 874 E N -0.354 119.941 120.200 0.158 0.000 2.110 874 E HA -0.192 4.333 4.350 0.292 0.000 0.193 874 E C 2.043 178.754 176.600 0.185 0.000 0.988 874 E CA 0.964 57.448 56.400 0.139 0.000 0.804 874 E CB -0.441 29.343 29.700 0.139 0.000 0.745 874 E HN 0.374 nan 8.360 nan 0.000 0.458 875 F N 2.145 122.147 119.950 0.086 0.000 2.102 875 F HA -0.208 4.494 4.527 0.292 0.000 0.298 875 F C 2.411 178.265 175.800 0.089 0.000 1.105 875 F CA 1.801 59.840 58.000 0.065 0.000 1.239 875 F CB -0.235 38.783 39.000 0.030 0.000 0.991 875 F HN -0.098 nan 8.300 nan 0.000 0.474 876 T N 1.505 116.280 114.554 0.368 0.000 2.708 876 T HA -0.170 4.355 4.350 0.292 0.000 0.266 876 T C 2.095 177.009 174.700 0.355 0.000 1.037 876 T CA 1.760 64.084 62.100 0.374 0.000 1.146 876 T CB -0.551 68.576 68.868 0.432 0.000 0.865 876 T HN 0.220 nan 8.240 nan 0.000 0.435 877 L N 1.450 122.773 121.223 0.166 0.000 1.994 877 L HA -0.134 4.382 4.340 0.292 0.000 0.208 877 L C 2.984 179.871 176.870 0.029 0.000 1.071 877 L CA 1.635 56.449 54.840 -0.044 0.000 0.745 877 L CB -0.743 41.209 42.059 -0.179 0.000 0.892 877 L HN 0.380 nan 8.230 nan 0.000 0.431 878 S N -1.462 114.283 115.700 0.074 0.000 2.383 878 S HA -0.240 4.406 4.470 0.292 0.000 0.227 878 S C 2.203 176.941 174.600 0.230 0.000 1.026 878 S CA 0.960 59.263 58.200 0.170 0.000 0.981 878 S CB -1.212 62.118 63.200 0.216 0.000 0.818 878 S HN 0.512 nan 8.310 nan 0.000 0.472 879 C N 2.328 121.662 119.300 0.056 0.000 2.398 879 C HA -0.007 4.628 4.460 0.292 0.000 0.276 879 C C 3.187 178.433 174.990 0.425 0.000 1.222 879 C CA 1.150 60.237 59.018 0.116 0.000 1.746 879 C CB -1.773 25.905 27.740 -0.103 0.000 2.039 879 C HN 0.702 nan 8.230 nan 0.000 0.470 880 A N 0.299 123.426 122.820 0.510 0.000 1.883 880 A HA 0.032 4.528 4.320 0.292 0.000 0.217 880 A C 2.485 180.140 177.584 0.118 0.000 1.186 880 A CA 2.401 54.619 52.037 0.302 0.000 0.624 880 A CB -1.609 17.454 19.000 0.106 0.000 0.822 880 A HN 0.721 nan 8.150 nan 0.000 0.444 881 G N -1.551 107.239 108.800 -0.018 0.000 2.491 881 G HA2 -0.265 3.870 3.960 0.292 0.000 0.218 881 G HA3 -0.265 3.870 3.960 0.292 0.000 0.218 881 G C 1.479 176.424 174.900 0.075 0.000 1.180 881 G CA 1.364 46.388 45.100 -0.127 0.000 0.774 881 G HN 0.558 nan 8.290 nan 0.000 0.562 882 Y N 0.043 120.475 120.300 0.220 0.000 2.263 882 Y HA -0.051 4.674 4.550 0.293 0.000 0.292 882 Y C 3.163 179.116 175.900 0.088 0.000 1.130 882 Y CA 0.602 58.784 58.100 0.136 0.000 1.179 882 Y CB -0.628 37.893 38.460 0.102 0.000 0.998 882 Y HN 0.224 nan 8.280 nan 0.000 0.532 883 C N -1.015 118.448 119.300 0.271 0.000 2.413 883 C HA -0.154 4.481 4.460 0.292 0.000 0.276 883 C C 2.775 177.839 174.990 0.124 0.000 1.236 883 C CA 1.071 60.137 59.018 0.080 0.000 1.735 883 C CB -1.100 26.716 27.740 0.127 0.000 2.031 883 C HN 0.360 nan 8.230 nan 0.000 0.474 884 V N 1.144 121.275 119.914 0.362 0.000 2.358 884 V HA -0.174 4.122 4.120 0.292 0.000 0.246 884 V C 2.676 179.034 176.094 0.440 0.000 1.047 884 V CA 2.143 64.765 62.300 0.536 0.000 1.035 884 V CB -1.248 30.849 31.823 0.457 0.000 0.658 884 V HN 0.598 nan 8.190 nan 0.000 0.452 885 A N 0.940 123.957 122.820 0.328 0.000 1.877 885 A HA -0.244 4.252 4.320 0.292 0.000 0.216 885 A C 2.507 180.179 177.584 0.146 0.000 1.186 885 A CA 2.716 54.870 52.037 0.195 0.000 0.620 885 A CB -1.085 17.979 19.000 0.106 0.000 0.822 885 A HN 0.631 nan 8.150 nan 0.000 0.443 886 T N -3.656 110.992 114.554 0.156 0.000 2.867 886 T HA -0.191 4.334 4.350 0.292 0.000 0.268 886 T C 1.845 176.649 174.700 0.174 0.000 1.057 886 T CA 1.492 63.675 62.100 0.138 0.000 1.136 886 T CB -0.554 68.381 68.868 0.111 0.000 0.874 886 T HN 0.455 nan 8.240 nan 0.000 0.466 887 Y N 2.321 122.686 120.300 0.108 0.000 2.114 887 Y HA -0.051 4.674 4.550 0.292 0.000 0.284 887 Y C 2.369 178.412 175.900 0.237 0.000 1.143 887 Y CA 0.928 59.143 58.100 0.191 0.000 1.135 887 Y CB -0.716 37.953 38.460 0.348 0.000 0.980 887 Y HN 0.064 nan 8.280 nan 0.000 0.499 888 V N 0.658 120.625 119.914 0.088 0.000 2.343 888 V HA -0.301 3.994 4.120 0.292 0.000 0.247 888 V C 2.332 178.351 176.094 -0.124 0.000 1.051 888 V CA 2.060 64.317 62.300 -0.071 0.000 1.036 888 V CB -0.691 31.133 31.823 0.001 0.000 0.654 888 V HN 0.443 nan 8.190 nan 0.000 0.451 889 L N 0.250 121.419 121.223 -0.091 0.000 2.554 889 L HA 0.255 4.771 4.340 0.292 0.000 0.226 889 L C 1.562 178.312 176.870 -0.200 0.000 1.137 889 L CA 0.768 55.509 54.840 -0.165 0.000 0.863 889 L CB -0.645 41.379 42.059 -0.058 0.000 0.985 889 L HN 0.555 nan 8.230 nan 0.000 0.451 890 G N 1.584 110.340 108.800 -0.073 0.000 2.272 890 G HA2 -0.282 3.853 3.960 0.292 0.000 0.280 890 G HA3 -0.282 3.853 3.960 0.292 0.000 0.280 890 G C -0.047 174.835 174.900 -0.031 0.000 1.067 890 G CA -0.175 44.837 45.100 -0.147 0.000 0.902 890 G HN 0.320 nan 8.290 nan 0.000 0.500 891 I N 1.378 122.008 120.570 0.099 0.000 2.306 891 I HA 0.530 4.875 4.170 0.292 0.000 0.288 891 I C 1.237 177.458 176.117 0.173 0.000 1.036 891 I CA 0.040 61.455 61.300 0.192 0.000 1.221 891 I CB 1.016 39.173 38.000 0.263 0.000 1.385 891 I HN 0.229 nan 8.210 nan 0.000 0.472 892 G N 2.790 111.682 108.800 0.153 0.000 2.828 892 G HA2 0.242 4.377 3.960 0.292 0.000 0.244 892 G HA3 0.242 4.377 3.960 0.292 0.000 0.244 892 G C -0.070 174.862 174.900 0.053 0.000 1.365 892 G CA -0.292 44.863 45.100 0.092 0.000 1.041 892 G HN 0.597 nan 8.290 nan 0.000 0.560 893 D N -0.926 119.461 120.400 -0.023 0.000 2.751 893 D HA -0.132 4.683 4.640 0.292 0.000 0.233 893 D C 0.277 176.369 176.300 -0.347 0.000 1.149 893 D CA 0.470 54.382 54.000 -0.146 0.000 0.682 893 D CB -0.486 40.261 40.800 -0.090 0.000 1.068 893 D HN 0.223 nan 8.370 nan 0.000 0.429 894 R N 1.023 121.422 120.500 -0.168 0.000 2.298 894 R HA 0.421 4.936 4.340 0.292 0.000 0.310 894 R C 0.562 176.754 176.300 -0.180 0.000 1.068 894 R CA -0.115 55.904 56.100 -0.134 0.000 0.957 894 R CB 0.751 31.114 30.300 0.105 0.000 1.003 894 R HN 0.492 nan 8.270 nan 0.000 0.454 895 H N -2.079 116.989 119.070 -0.003 0.000 2.943 895 H HA 0.221 4.952 4.556 0.292 0.000 0.323 895 H C 0.780 176.071 175.328 -0.062 0.000 1.296 895 H CA -0.770 55.253 56.048 -0.041 0.000 1.155 895 H CB 0.081 29.821 29.762 -0.036 0.000 1.882 895 H HN 0.347 nan 8.280 nan 0.000 0.553 896 S N -0.694 115.071 115.700 0.109 0.000 2.442 896 S HA -0.210 4.436 4.470 0.292 0.000 0.236 896 S C 0.717 175.308 174.600 -0.015 0.000 1.007 896 S CA 1.387 59.601 58.200 0.024 0.000 0.965 896 S CB -0.726 62.468 63.200 -0.010 0.000 0.773 896 S HN 0.753 nan 8.310 nan 0.000 0.504 897 D N 1.937 122.332 120.400 -0.008 0.000 2.340 897 D HA -0.047 4.768 4.640 0.292 0.000 0.220 897 D C 1.012 177.307 176.300 -0.008 0.000 1.039 897 D CA 0.377 54.347 54.000 -0.049 0.000 0.866 897 D CB -0.960 39.772 40.800 -0.114 0.000 0.913 897 D HN 0.840 nan 8.370 nan 0.000 0.523 898 N N 0.439 119.177 118.700 0.064 0.000 2.235 898 N HA 0.144 5.059 4.740 0.292 0.000 0.231 898 N C -0.396 174.967 175.510 -0.245 0.000 1.177 898 N CA -0.351 52.664 53.050 -0.058 0.000 0.874 898 N CB 0.646 39.130 38.487 -0.005 0.000 1.097 898 N HN 0.095 nan 8.380 nan 0.000 0.518 899 I N 1.220 121.622 120.570 -0.279 0.000 2.509 899 I HA 0.412 4.757 4.170 0.292 0.000 0.293 899 I C -0.381 175.460 176.117 -0.460 0.000 1.020 899 I CA -0.721 60.289 61.300 -0.484 0.000 1.088 899 I CB 2.111 39.884 38.000 -0.378 0.000 1.267 899 I HN -0.104 nan 8.210 nan 0.000 0.430 900 M N 6.111 125.274 119.600 -0.727 0.000 2.664 900 M HA 0.598 5.253 4.480 0.292 0.000 0.314 900 M C -1.005 174.883 176.300 -0.686 0.000 1.200 900 M CA -0.773 54.062 55.300 -0.775 0.000 0.916 900 M CB 3.143 35.050 32.600 -1.154 0.000 1.717 900 M HN 0.482 nan 8.290 nan 0.000 0.470 901 I N 1.149 121.474 120.570 -0.410 0.000 2.545 901 I HA 0.469 4.814 4.170 0.292 0.000 0.292 901 I C -0.759 175.421 176.117 0.106 0.000 1.040 901 I CA -0.738 60.470 61.300 -0.153 0.000 1.068 901 I CB 1.748 39.662 38.000 -0.143 0.000 1.251 901 I HN 0.705 nan 8.210 nan 0.000 0.424 902 R N 4.751 125.448 120.500 0.328 0.000 2.528 902 R HA 0.251 4.766 4.340 0.292 0.000 0.271 902 R C 0.533 177.156 176.300 0.538 0.000 1.056 902 R CA -0.530 55.839 56.100 0.449 0.000 1.117 902 R CB 1.011 31.551 30.300 0.401 0.000 1.085 902 R HN 0.678 nan 8.270 nan 0.000 0.530 903 E N 0.430 120.911 120.200 0.468 0.000 2.265 903 E HA -0.155 4.370 4.350 0.292 0.000 0.196 903 E C 1.596 178.279 176.600 0.137 0.000 0.996 903 E CA 1.472 57.999 56.400 0.211 0.000 0.832 903 E CB 0.112 29.837 29.700 0.043 0.000 0.756 903 E HN 0.591 nan 8.360 nan 0.000 0.491 904 S N -0.759 115.053 115.700 0.187 0.000 2.474 904 S HA -0.009 4.636 4.470 0.292 0.000 0.235 904 S C 1.740 176.455 174.600 0.190 0.000 0.997 904 S CA 0.757 59.049 58.200 0.153 0.000 0.949 904 S CB 0.179 63.471 63.200 0.152 0.000 0.766 904 S HN 0.408 nan 8.310 nan 0.000 0.517 905 G N 0.073 109.040 108.800 0.278 0.000 2.238 905 G HA2 -0.216 3.920 3.960 0.292 0.000 0.217 905 G HA3 -0.216 3.920 3.960 0.292 0.000 0.217 905 G C -0.133 174.971 174.900 0.340 0.000 0.996 905 G CA -0.147 45.154 45.100 0.336 0.000 0.632 905 G HN 0.573 nan 8.290 nan 0.000 0.503 906 Q N 0.485 120.446 119.800 0.268 0.000 2.289 906 Q HA 0.523 5.038 4.340 0.292 0.000 0.273 906 Q C 0.161 176.285 176.000 0.208 0.000 1.029 906 Q CA -0.197 55.744 55.803 0.230 0.000 0.896 906 Q CB 1.465 30.354 28.738 0.251 0.000 1.182 906 Q HN 0.438 nan 8.270 nan 0.000 0.385 907 L N 4.415 125.672 121.223 0.057 0.000 2.379 907 L HA 0.628 5.143 4.340 0.292 0.000 0.269 907 L C -0.951 175.936 176.870 0.029 0.000 1.084 907 L CA -0.070 54.701 54.840 -0.115 0.000 0.802 907 L CB 0.598 42.395 42.059 -0.436 0.000 1.175 907 L HN 0.588 nan 8.230 nan 0.000 0.448 908 F N 0.342 120.115 119.950 -0.295 0.000 2.741 908 F HA 0.554 5.255 4.527 0.291 0.000 0.313 908 F C -1.146 174.432 175.800 -0.371 0.000 1.153 908 F CA -0.975 56.699 58.000 -0.544 0.000 0.931 908 F CB 1.067 40.007 39.000 -0.099 0.000 1.335 908 F HN 0.484 nan 8.300 nan 0.000 0.460 909 H N 1.646 120.578 119.070 -0.230 0.000 2.573 909 H HA 0.797 5.528 4.556 0.292 0.000 0.351 909 H C -0.586 174.689 175.328 -0.089 0.000 1.163 909 H CA -0.516 55.430 56.048 -0.169 0.000 1.205 909 H CB 2.708 32.450 29.762 -0.033 0.000 1.605 909 H HN 0.798 nan 8.280 nan 0.000 0.525 910 I N -2.045 118.371 120.570 -0.258 0.000 3.239 910 I HA 0.321 4.666 4.170 0.292 0.000 0.314 910 I C -0.749 175.118 176.117 -0.417 0.000 1.126 910 I CA -1.016 60.146 61.300 -0.230 0.000 0.973 910 I CB 2.298 40.251 38.000 -0.078 0.000 1.252 910 I HN 0.432 nan 8.210 nan 0.000 0.463 911 D N 1.633 121.904 120.400 -0.216 0.000 2.697 911 D HA -0.198 4.617 4.640 0.292 0.000 0.238 911 D C -0.852 175.388 176.300 -0.100 0.000 1.152 911 D CA 0.966 54.910 54.000 -0.094 0.000 0.666 911 D CB -1.199 39.586 40.800 -0.025 0.000 1.037 911 D HN 0.382 nan 8.370 nan 0.000 0.423 912 F N 0.144 120.171 119.950 0.129 0.000 2.541 912 F HA 0.391 5.093 4.527 0.293 0.000 0.378 912 F C 1.921 177.724 175.800 0.006 0.000 1.068 912 F CA 0.518 58.572 58.000 0.090 0.000 1.199 912 F CB 0.837 39.886 39.000 0.081 0.000 1.091 912 F HN 0.075 nan 8.300 nan 0.000 0.555 913 G N 1.473 110.367 108.800 0.156 0.000 2.727 913 G HA2 0.125 4.260 3.960 0.292 0.000 0.207 913 G HA3 0.125 4.260 3.960 0.292 0.000 0.207 913 G C -0.530 174.082 174.900 -0.480 0.000 1.060 913 G CA 0.093 45.133 45.100 -0.101 0.000 0.814 913 G HN 0.626 nan 8.290 nan 0.000 0.576 914 H N -0.672 118.442 119.070 0.074 0.000 2.954 914 H HA 0.574 5.305 4.556 0.292 0.000 0.361 914 H C -0.968 174.471 175.328 0.185 0.000 1.122 914 H CA -0.936 55.160 56.048 0.081 0.000 1.217 914 H CB 1.870 31.699 29.762 0.111 0.000 1.776 914 H HN 0.216 nan 8.280 nan 0.000 0.533 915 F N -0.079 119.926 119.950 0.092 0.000 2.754 915 F HA 0.457 5.160 4.527 0.293 0.000 0.320 915 F C -0.529 175.175 175.800 -0.160 0.000 1.156 915 F CA -1.754 56.234 58.000 -0.019 0.000 0.950 915 F CB 1.417 40.407 39.000 -0.017 0.000 1.388 915 F HN 0.453 nan 8.300 nan 0.000 0.485 916 L N 1.322 122.296 121.223 -0.416 0.000 3.781 916 L HA -0.243 4.273 4.340 0.292 0.000 0.426 916 L C 0.986 177.286 176.870 -0.951 0.000 1.197 916 L CA 0.972 55.246 54.840 -0.943 0.000 0.907 916 L CB -2.169 39.484 42.059 -0.678 0.000 1.812 916 L HN 1.361 nan 8.230 nan 0.000 0.956 917 G N -0.890 107.510 108.800 -0.667 0.000 2.162 917 G HA2 -0.320 3.816 3.960 0.292 0.000 0.260 917 G HA3 -0.320 3.816 3.960 0.292 0.000 0.260 917 G C 0.100 175.113 174.900 0.187 0.000 0.976 917 G CA 0.477 45.490 45.100 -0.144 0.000 0.655 917 G HN 0.679 nan 8.290 nan 0.000 0.533 918 N N 0.923 119.705 118.700 0.136 0.000 2.439 918 N HA 0.554 5.469 4.740 0.292 0.000 0.243 918 N C 0.214 175.840 175.510 0.194 0.000 1.088 918 N CA -0.455 52.679 53.050 0.141 0.000 0.940 918 N CB 0.328 38.896 38.487 0.135 0.000 1.180 918 N HN 0.476 nan 8.380 nan 0.000 0.505 930 V N 2.875 122.944 119.914 0.260 0.000 2.530 930 V HA 0.773 5.069 4.120 0.292 0.000 0.282 930 V C -1.775 174.449 176.094 0.216 0.000 1.048 930 V CA -1.229 61.174 62.300 0.172 0.000 0.997 930 V CB 0.693 32.613 31.823 0.161 0.000 0.987 930 V HN 0.656 nan 8.190 nan 0.000 0.477 931 P HA 0.239 nan 4.420 nan 0.000 0.274 931 P C -0.490 176.976 177.300 0.277 0.000 1.246 931 P CA -0.463 62.751 63.100 0.189 0.000 0.795 931 P CB 0.604 32.349 31.700 0.075 0.000 1.006 932 F N 1.128 121.096 119.950 0.030 0.000 2.506 932 F HA 0.171 4.874 4.527 0.293 0.000 0.351 932 F C 0.233 176.000 175.800 -0.056 0.000 1.136 932 F CA 0.197 58.132 58.000 -0.109 0.000 1.298 932 F CB 0.260 38.942 39.000 -0.531 0.000 1.145 932 F HN 0.046 nan 8.300 nan 0.000 0.593 933 I N 7.371 127.694 120.570 -0.412 0.000 2.389 933 I HA 0.293 4.638 4.170 0.292 0.000 0.288 933 I C -0.811 175.230 176.117 -0.126 0.000 0.999 933 I CA -0.630 60.565 61.300 -0.175 0.000 1.129 933 I CB 1.223 39.166 38.000 -0.096 0.000 1.288 933 I HN 0.493 nan 8.210 nan 0.000 0.444 934 L N 6.000 127.229 121.223 0.010 0.000 2.342 934 L HA 0.385 4.900 4.340 0.292 0.000 0.276 934 L C 0.053 176.951 176.870 0.047 0.000 0.997 934 L CA -0.351 54.544 54.840 0.093 0.000 0.838 934 L CB 1.874 44.005 42.059 0.120 0.000 1.224 934 L HN 0.526 nan 8.230 nan 0.000 0.416 935 T N 1.205 115.750 114.554 -0.016 0.000 2.817 935 T HA 0.044 4.569 4.350 0.292 0.000 0.293 935 T C 0.737 175.441 174.700 0.008 0.000 0.964 935 T CA -0.145 61.868 62.100 -0.146 0.000 1.085 935 T CB 1.269 69.738 68.868 -0.665 0.000 0.921 935 T HN 0.440 nan 8.240 nan 0.000 0.502 936 Y N 2.868 123.174 120.300 0.010 0.000 2.165 936 Y HA -0.217 4.508 4.550 0.292 0.000 0.286 936 Y C 1.917 177.885 175.900 0.113 0.000 1.155 936 Y CA 1.779 59.941 58.100 0.103 0.000 1.164 936 Y CB -0.100 38.502 38.460 0.236 0.000 0.978 936 Y HN 0.629 nan 8.280 nan 0.000 0.513 937 D N -0.605 119.856 120.400 0.103 0.000 2.218 937 D HA -0.142 4.674 4.640 0.292 0.000 0.204 937 D C 1.804 178.298 176.300 0.324 0.000 0.976 937 D CA 1.111 55.183 54.000 0.120 0.000 0.853 937 D CB -0.252 40.651 40.800 0.172 0.000 0.939 937 D HN 0.319 nan 8.370 nan 0.000 0.481 938 F N -0.008 120.020 119.950 0.130 0.000 2.187 938 F HA -0.021 4.681 4.527 0.291 0.000 0.295 938 F C 2.461 178.337 175.800 0.127 0.000 1.091 938 F CA 0.156 58.312 58.000 0.261 0.000 1.308 938 F CB -1.159 37.996 39.000 0.258 0.000 1.030 938 F HN -0.144 nan 8.300 nan 0.000 0.487 939 V N -0.046 119.991 119.914 0.205 0.000 2.392 939 V HA -0.334 3.961 4.120 0.292 0.000 0.249 939 V C 2.395 178.480 176.094 -0.015 0.000 1.059 939 V CA 2.352 64.698 62.300 0.078 0.000 1.051 939 V CB -0.991 30.854 31.823 0.036 0.000 0.658 939 V HN 0.345 nan 8.190 nan 0.000 0.455 940 H N -0.132 118.795 119.070 -0.239 0.000 2.353 940 H HA -0.130 4.601 4.556 0.292 0.000 0.300 940 H C 2.072 177.306 175.328 -0.157 0.000 1.090 940 H CA 2.151 58.034 56.048 -0.274 0.000 1.327 940 H CB -0.190 29.337 29.762 -0.392 0.000 1.383 940 H HN 0.190 nan 8.280 nan 0.000 0.508 941 V N 0.444 120.261 119.914 -0.162 0.000 2.295 941 V HA -0.234 4.062 4.120 0.292 0.000 0.246 941 V C 2.577 178.539 176.094 -0.220 0.000 1.049 941 V CA 1.959 64.059 62.300 -0.334 0.000 1.024 941 V CB -0.529 30.815 31.823 -0.799 0.000 0.648 941 V HN 0.434 nan 8.190 nan 0.000 0.447 942 I N -0.198 120.337 120.570 -0.059 0.000 2.264 942 I HA -0.294 4.052 4.170 0.292 0.000 0.248 942 I C 2.290 178.423 176.117 0.027 0.000 1.111 942 I CA 1.558 62.886 61.300 0.047 0.000 1.382 942 I CB -0.335 37.678 38.000 0.021 0.000 1.060 942 I HN 0.387 nan 8.210 nan 0.000 0.418 943 Q N 0.603 120.390 119.800 -0.022 0.000 2.373 943 Q HA -0.019 4.496 4.340 0.292 0.000 0.206 943 Q C -0.004 175.927 176.000 -0.115 0.000 0.942 943 Q CA 0.063 55.844 55.803 -0.035 0.000 0.953 943 Q CB 0.194 28.907 28.738 -0.041 0.000 1.022 943 Q HN 0.463 nan 8.270 nan 0.000 0.502 944 Q N -1.623 118.089 119.800 -0.147 0.000 2.494 944 Q HA -0.276 4.240 4.340 0.292 0.000 0.266 944 Q C 0.673 176.535 176.000 -0.230 0.000 1.053 944 Q CA 0.283 55.996 55.803 -0.150 0.000 1.029 944 Q CB -1.957 26.738 28.738 -0.072 0.000 1.423 944 Q HN 0.710 nan 8.270 nan 0.000 0.516 945 G N -0.626 107.899 108.800 -0.459 0.000 2.176 945 G HA2 -0.333 3.803 3.960 0.292 0.000 0.253 945 G HA3 -0.333 3.803 3.960 0.292 0.000 0.253 945 G C 0.038 174.717 174.900 -0.369 0.000 0.979 945 G CA 0.489 45.202 45.100 -0.645 0.000 0.641 945 G HN 0.275 nan 8.290 nan 0.000 0.530 946 K N 0.382 120.644 120.400 -0.230 0.000 2.144 946 K HA 0.525 5.020 4.320 0.292 0.000 0.270 946 K C 1.366 177.934 176.600 -0.053 0.000 1.005 946 K CA 0.029 56.260 56.287 -0.093 0.000 0.932 946 K CB 1.053 33.518 32.500 -0.059 0.000 1.021 946 K HN 0.048 nan 8.250 nan 0.000 0.462 947 T N 1.006 115.554 114.554 -0.009 0.000 2.746 947 T HA -0.077 4.448 4.350 0.292 0.000 0.267 947 T C 0.404 175.097 174.700 -0.012 0.000 1.039 947 T CA 1.148 63.252 62.100 0.007 0.000 1.142 947 T CB -0.058 68.803 68.868 -0.010 0.000 0.866 947 T HN 0.512 nan 8.240 nan 0.000 0.444 948 N N 2.222 120.912 118.700 -0.016 0.000 2.399 948 N HA 0.344 5.260 4.740 0.292 0.000 0.280 948 N C -1.293 174.217 175.510 0.001 0.000 1.008 948 N CA -0.341 52.702 53.050 -0.012 0.000 0.894 948 N CB 1.492 39.974 38.487 -0.009 0.000 1.273 948 N HN 0.045 nan 8.380 nan 0.000 0.486 949 N N 0.714 119.427 118.700 0.022 0.000 2.785 949 N HA 0.002 4.917 4.740 0.292 0.000 0.224 949 N C 0.402 175.976 175.510 0.107 0.000 1.448 949 N CA -0.166 52.913 53.050 0.048 0.000 0.748 949 N CB 0.314 38.822 38.487 0.034 0.000 1.385 949 N HN 0.409 nan 8.380 nan 0.000 0.538 950 S N -0.177 115.582 115.700 0.099 0.000 2.423 950 S HA -0.138 4.507 4.470 0.292 0.000 0.231 950 S C 1.508 176.196 174.600 0.146 0.000 1.014 950 S CA 1.081 59.373 58.200 0.154 0.000 0.965 950 S CB -0.004 63.261 63.200 0.109 0.000 0.785 950 S HN 0.615 nan 8.310 nan 0.000 0.495 951 E N 1.590 121.845 120.200 0.091 0.000 2.058 951 E HA -0.201 4.325 4.350 0.292 0.000 0.194 951 E C 1.822 178.463 176.600 0.068 0.000 0.997 951 E CA 1.161 57.598 56.400 0.062 0.000 0.801 951 E CB -0.042 29.684 29.700 0.043 0.000 0.746 951 E HN 0.297 nan 8.360 nan 0.000 0.450 952 K N 0.022 120.480 120.400 0.096 0.000 2.062 952 K HA -0.104 4.391 4.320 0.292 0.000 0.205 952 K C 2.030 178.723 176.600 0.155 0.000 1.051 952 K CA 0.855 57.205 56.287 0.106 0.000 0.941 952 K CB -0.589 31.975 32.500 0.106 0.000 0.719 952 K HN 0.225 nan 8.250 nan 0.000 0.440 953 F N 2.933 122.937 119.950 0.090 0.000 2.171 953 F HA -0.139 4.563 4.527 0.292 0.000 0.300 953 F C 1.920 177.842 175.800 0.203 0.000 1.090 953 F CA 1.436 59.539 58.000 0.172 0.000 1.293 953 F CB 0.186 39.278 39.000 0.153 0.000 1.013 953 F HN -0.013 nan 8.300 nan 0.000 0.486 954 E N 0.178 120.418 120.200 0.068 0.000 2.216 954 E HA -0.099 4.426 4.350 0.292 0.000 0.192 954 E C 2.348 178.811 176.600 -0.228 0.000 0.988 954 E CA 0.490 56.835 56.400 -0.092 0.000 0.834 954 E CB -0.350 29.356 29.700 0.010 0.000 0.772 954 E HN 0.487 nan 8.360 nan 0.000 0.479 955 R N 0.014 120.392 120.500 -0.203 0.000 2.083 955 R HA -0.134 4.381 4.340 0.292 0.000 0.237 955 R C 2.299 178.171 176.300 -0.713 0.000 1.137 955 R CA 1.366 57.218 56.100 -0.412 0.000 0.951 955 R CB -0.466 29.656 30.300 -0.296 0.000 0.851 955 R HN 0.157 nan 8.270 nan 0.000 0.434 956 F N 1.787 121.423 119.950 -0.522 0.000 2.095 956 F HA -0.224 4.478 4.527 0.292 0.000 0.298 956 F C 2.521 178.124 175.800 -0.328 0.000 1.104 956 F CA 1.569 59.365 58.000 -0.341 0.000 1.232 956 F CB -0.258 38.661 39.000 -0.134 0.000 0.987 956 F HN -0.166 nan 8.300 nan 0.000 0.475 957 R N 0.406 120.515 120.500 -0.652 0.000 2.091 957 R HA -0.146 4.369 4.340 0.292 0.000 0.238 957 R C 2.479 178.391 176.300 -0.647 0.000 1.136 957 R CA 1.625 57.208 56.100 -0.863 0.000 0.959 957 R CB -1.242 28.547 30.300 -0.851 0.000 0.856 957 R HN 0.506 nan 8.270 nan 0.000 0.437 958 G N -0.102 108.395 108.800 -0.505 0.000 2.440 958 G HA2 -0.278 3.857 3.960 0.292 0.000 0.218 958 G HA3 -0.278 3.857 3.960 0.292 0.000 0.218 958 G C 0.995 175.736 174.900 -0.265 0.000 1.154 958 G CA 0.874 45.756 45.100 -0.363 0.000 0.767 958 G HN 0.328 nan 8.290 nan 0.000 0.552 959 Y N 0.638 120.777 120.300 -0.268 0.000 2.128 959 Y HA -0.123 4.602 4.550 0.292 0.000 0.284 959 Y C 3.196 178.898 175.900 -0.330 0.000 1.154 959 Y CA 0.149 58.088 58.100 -0.268 0.000 1.149 959 Y CB -1.342 36.990 38.460 -0.213 0.000 0.976 959 Y HN 0.218 nan 8.280 nan 0.000 0.505 960 C N 0.070 119.228 119.300 -0.236 0.000 2.413 960 C HA -0.208 4.427 4.460 0.292 0.000 0.276 960 C C 2.615 177.511 174.990 -0.158 0.000 1.236 960 C CA 1.250 60.179 59.018 -0.148 0.000 1.735 960 C CB -1.012 26.677 27.740 -0.086 0.000 2.031 960 C HN 0.572 nan 8.230 nan 0.000 0.474 961 E N 0.084 120.160 120.200 -0.206 0.000 2.072 961 E HA -0.173 4.353 4.350 0.292 0.000 0.191 961 E C 2.441 178.946 176.600 -0.159 0.000 0.985 961 E CA 0.880 57.148 56.400 -0.220 0.000 0.801 961 E CB -0.212 29.386 29.700 -0.170 0.000 0.750 961 E HN 0.549 nan 8.360 nan 0.000 0.452 962 R N 0.415 120.836 120.500 -0.133 0.000 2.083 962 R HA -0.157 4.359 4.340 0.292 0.000 0.237 962 R C 2.394 178.622 176.300 -0.119 0.000 1.137 962 R CA 1.300 57.341 56.100 -0.099 0.000 0.951 962 R CB -0.326 29.929 30.300 -0.076 0.000 0.851 962 R HN 0.116 nan 8.270 nan 0.000 0.434 963 A N 0.171 122.844 122.820 -0.246 0.000 1.883 963 A HA -0.241 4.254 4.320 0.292 0.000 0.217 963 A C 2.008 179.665 177.584 0.122 0.000 1.186 963 A CA 1.441 53.252 52.037 -0.377 0.000 0.624 963 A CB -0.847 17.711 19.000 -0.736 0.000 0.822 963 A HN 0.495 nan 8.150 nan 0.000 0.444 964 Y N 1.882 122.084 120.300 -0.163 0.000 2.181 964 Y HA -0.230 4.495 4.550 0.292 0.000 0.288 964 Y C 2.902 178.730 175.900 -0.120 0.000 1.146 964 Y CA 2.522 60.492 58.100 -0.217 0.000 1.164 964 Y CB -0.712 37.259 38.460 -0.816 0.000 0.982 964 Y HN 0.462 nan 8.280 nan 0.000 0.515 965 T N -1.704 112.768 114.554 -0.138 0.000 2.867 965 T HA -0.173 4.352 4.350 0.292 0.000 0.268 965 T C 1.977 176.632 174.700 -0.074 0.000 1.057 965 T CA 1.624 63.630 62.100 -0.157 0.000 1.136 965 T CB -0.866 67.962 68.868 -0.066 0.000 0.874 965 T HN 0.407 nan 8.240 nan 0.000 0.466 966 I N 1.082 121.688 120.570 0.059 0.000 2.179 966 I HA -0.097 4.248 4.170 0.292 0.000 0.242 966 I C 2.549 178.802 176.117 0.227 0.000 1.088 966 I CA 1.236 62.652 61.300 0.193 0.000 1.357 966 I CB -0.416 37.811 38.000 0.378 0.000 1.051 966 I HN 0.206 nan 8.210 nan 0.000 0.409 967 L N 0.030 121.366 121.223 0.188 0.000 2.083 967 L HA -0.191 4.324 4.340 0.292 0.000 0.209 967 L C 2.750 179.629 176.870 0.014 0.000 1.083 967 L CA 1.314 56.229 54.840 0.126 0.000 0.752 967 L CB -0.693 41.350 42.059 -0.025 0.000 0.899 967 L HN 0.202 nan 8.230 nan 0.000 0.433 968 R N 0.090 120.477 120.500 -0.189 0.000 2.105 968 R HA -0.162 4.353 4.340 0.292 0.000 0.239 968 R C 2.374 178.607 176.300 -0.111 0.000 1.135 968 R CA 1.301 57.274 56.100 -0.212 0.000 0.967 968 R CB -0.306 29.801 30.300 -0.322 0.000 0.861 968 R HN 0.382 nan 8.270 nan 0.000 0.442 969 R N -0.422 120.010 120.500 -0.113 0.000 2.189 969 R HA -0.060 4.455 4.340 0.292 0.000 0.223 969 R C 0.897 176.991 176.300 -0.344 0.000 1.092 969 R CA 0.820 56.792 56.100 -0.213 0.000 0.989 969 R CB 0.004 30.153 30.300 -0.253 0.000 0.876 969 R HN 0.433 nan 8.270 nan 0.000 0.457 970 H N -1.378 117.712 119.070 0.033 0.000 2.486 970 H HA 0.166 4.897 4.556 0.292 0.000 0.284 970 H C 1.526 176.916 175.328 0.104 0.000 1.103 970 H CA 0.171 56.242 56.048 0.038 0.000 1.089 970 H CB 0.765 30.547 29.762 0.032 0.000 1.603 970 H HN 0.298 nan 8.280 nan 0.000 0.557 971 G N 1.137 110.014 108.800 0.130 0.000 2.440 971 G HA2 -0.219 3.917 3.960 0.292 0.000 0.218 971 G HA3 -0.219 3.917 3.960 0.292 0.000 0.218 971 G C 1.711 176.637 174.900 0.044 0.000 1.154 971 G CA 0.233 45.403 45.100 0.116 0.000 0.767 971 G HN 0.304 nan 8.290 nan 0.000 0.552 972 L N -0.327 120.844 121.223 -0.087 0.000 2.127 972 L HA -0.063 4.452 4.340 0.292 0.000 0.211 972 L C 2.689 179.277 176.870 -0.471 0.000 1.089 972 L CA 0.467 55.116 54.840 -0.318 0.000 0.757 972 L CB -0.371 41.490 42.059 -0.329 0.000 0.899 972 L HN 0.254 nan 8.230 nan 0.000 0.434 973 L N -0.544 120.542 121.223 -0.229 0.000 2.017 973 L HA -0.180 4.336 4.340 0.292 0.000 0.208 973 L C 2.301 179.047 176.870 -0.207 0.000 1.073 973 L CA 1.845 56.535 54.840 -0.249 0.000 0.745 973 L CB -0.602 41.300 42.059 -0.260 0.000 0.894 973 L HN -0.006 nan 8.230 nan 0.000 0.432 974 F N -0.484 119.440 119.950 -0.042 0.000 2.126 974 F HA -0.224 4.478 4.527 0.292 0.000 0.299 974 F C 2.286 178.158 175.800 0.119 0.000 1.096 974 F CA 1.654 59.693 58.000 0.066 0.000 1.255 974 F CB -0.780 38.233 39.000 0.022 0.000 0.997 974 F HN 0.026 nan 8.300 nan 0.000 0.479 975 L N -1.032 120.285 121.223 0.157 0.000 2.046 975 L HA -0.248 4.267 4.340 0.292 0.000 0.208 975 L C 2.613 179.605 176.870 0.203 0.000 1.077 975 L CA 1.220 56.130 54.840 0.116 0.000 0.747 975 L CB -0.959 41.111 42.059 0.018 0.000 0.896 975 L HN 0.200 nan 8.230 nan 0.000 0.432 976 H N 0.032 119.140 119.070 0.064 0.000 2.353 976 H HA -0.097 4.634 4.556 0.292 0.000 0.300 976 H C 2.349 177.679 175.328 0.003 0.000 1.090 976 H CA 1.237 57.296 56.048 0.018 0.000 1.327 976 H CB -0.441 29.293 29.762 -0.048 0.000 1.383 976 H HN 0.262 nan 8.280 nan 0.000 0.508 977 L N -0.876 120.404 121.223 0.096 0.000 2.056 977 L HA -0.139 4.376 4.340 0.292 0.000 0.207 977 L C 2.289 179.158 176.870 -0.000 0.000 1.078 977 L CA 0.938 55.766 54.840 -0.020 0.000 0.749 977 L CB -0.487 41.498 42.059 -0.123 0.000 0.901 977 L HN 0.095 nan 8.230 nan 0.000 0.433 978 F N 0.152 120.117 119.950 0.025 0.000 2.171 978 F HA -0.197 4.506 4.527 0.292 0.000 0.300 978 F C 2.582 178.404 175.800 0.036 0.000 1.090 978 F CA 1.225 59.240 58.000 0.024 0.000 1.293 978 F CB -0.610 38.393 39.000 0.005 0.000 1.013 978 F HN 0.009 nan 8.300 nan 0.000 0.486 979 A N 0.210 123.163 122.820 0.222 0.000 1.883 979 A HA -0.162 4.333 4.320 0.292 0.000 0.217 979 A C 2.242 179.911 177.584 0.142 0.000 1.186 979 A CA 1.517 53.653 52.037 0.166 0.000 0.624 979 A CB -1.094 18.004 19.000 0.163 0.000 0.822 979 A HN 0.382 nan 8.150 nan 0.000 0.444 980 L N -1.305 119.982 121.223 0.106 0.000 2.131 980 L HA -0.175 4.340 4.340 0.292 0.000 0.210 980 L C 2.581 179.447 176.870 -0.006 0.000 1.092 980 L CA 0.909 55.798 54.840 0.081 0.000 0.759 980 L CB -0.521 41.550 42.059 0.019 0.000 0.903 980 L HN 0.324 nan 8.230 nan 0.000 0.435 981 M N -0.454 119.119 119.600 -0.044 0.000 2.460 981 M HA -0.110 4.546 4.480 0.292 0.000 0.263 981 M C 2.148 178.419 176.300 -0.048 0.000 1.071 981 M CA 1.291 56.531 55.300 -0.101 0.000 1.096 981 M CB -0.961 31.521 32.600 -0.197 0.000 1.408 981 M HN 0.172 nan 8.290 nan 0.000 0.463 982 R N -0.341 120.175 120.500 0.027 0.000 2.261 982 R HA -0.110 4.405 4.340 0.292 0.000 0.236 982 R C 2.032 178.321 176.300 -0.018 0.000 1.141 982 R CA 1.215 57.340 56.100 0.042 0.000 1.001 982 R CB -0.470 29.887 30.300 0.094 0.000 0.866 982 R HN 0.373 nan 8.270 nan 0.000 0.468 983 A N 0.924 123.670 122.820 -0.123 0.000 2.015 983 A HA -0.031 4.464 4.320 0.292 0.000 0.219 983 A C 2.261 179.681 177.584 -0.273 0.000 1.163 983 A CA 1.378 53.178 52.037 -0.394 0.000 0.646 983 A CB -0.312 18.155 19.000 -0.889 0.000 0.806 983 A HN 0.370 nan 8.150 nan 0.000 0.448 984 A N -1.459 121.252 122.820 -0.180 0.000 2.066 984 A HA 0.338 4.833 4.320 0.292 0.000 0.218 984 A C 2.015 179.528 177.584 -0.119 0.000 1.157 984 A CA 1.427 53.379 52.037 -0.141 0.000 0.670 984 A CB -0.984 17.950 19.000 -0.111 0.000 0.804 984 A HN 1.860 nan 8.150 nan 0.000 0.453 985 G N -1.747 106.990 108.800 -0.106 0.000 2.153 985 G HA2 -0.189 3.946 3.960 0.292 0.000 0.252 985 G HA3 -0.189 3.946 3.960 0.292 0.000 0.252 985 G C -0.089 174.776 174.900 -0.058 0.000 0.994 985 G CA 0.187 45.232 45.100 -0.091 0.000 0.698 985 G HN 0.360 nan 8.290 nan 0.000 0.521 986 L N 0.420 121.619 121.223 -0.040 0.000 2.559 986 L HA 0.224 4.739 4.340 0.292 0.000 0.274 986 L C -0.294 176.575 176.870 -0.002 0.000 1.205 986 L CA -0.992 53.832 54.840 -0.026 0.000 0.907 986 L CB 0.665 42.719 42.059 -0.007 0.000 1.153 986 L HN -0.051 nan 8.230 nan 0.000 0.490 987 P HA -0.092 nan 4.420 nan 0.000 0.223 987 P C 0.599 177.922 177.300 0.037 0.000 1.151 987 P CA 0.992 64.092 63.100 0.000 0.000 0.787 987 P CB 0.299 31.991 31.700 -0.013 0.000 0.788 988 E N -1.131 119.111 120.200 0.070 0.000 2.479 988 E HA 0.100 4.626 4.350 0.292 0.000 0.193 988 E C 0.019 176.796 176.600 0.296 0.000 1.049 988 E CA 0.050 56.557 56.400 0.179 0.000 0.870 988 E CB 0.125 29.946 29.700 0.202 0.000 0.944 988 E HN 0.106 nan 8.360 nan 0.000 0.492 989 L N 0.069 121.420 121.223 0.215 0.000 2.489 989 L HA 0.212 4.727 4.340 0.292 0.000 0.257 989 L C -0.256 176.671 176.870 0.096 0.000 1.215 989 L CA 0.064 55.024 54.840 0.200 0.000 0.915 989 L CB 1.092 43.336 42.059 0.308 0.000 1.146 989 L HN -0.207 nan 8.230 nan 0.000 0.494 990 S N 0.125 115.861 115.700 0.060 0.000 2.631 990 S HA 0.309 4.954 4.470 0.292 0.000 0.246 990 S C 0.431 175.031 174.600 -0.001 0.000 1.068 990 S CA 0.319 58.527 58.200 0.013 0.000 0.995 990 S CB 0.224 63.424 63.200 0.000 0.000 0.944 990 S HN 0.709 nan 8.310 nan 0.000 0.529 991 C N 0.060 119.369 119.300 0.016 0.000 3.335 991 C HA 0.726 5.361 4.460 0.292 0.000 0.356 991 C C 1.628 176.628 174.990 0.016 0.000 1.570 991 C CA -0.320 58.700 59.018 0.004 0.000 1.271 991 C CB 0.799 28.537 27.740 -0.003 0.000 1.873 991 C HN 0.137 nan 8.230 nan 0.000 0.439 992 S N 0.283 115.988 115.700 0.007 0.000 2.402 992 S HA -0.161 4.485 4.470 0.292 0.000 0.229 992 S C 1.630 176.240 174.600 0.016 0.000 1.021 992 S CA 1.735 59.941 58.200 0.009 0.000 0.974 992 S CB -0.457 62.743 63.200 -0.001 0.000 0.800 992 S HN 0.830 nan 8.310 nan 0.000 0.484 993 K N 1.545 121.958 120.400 0.022 0.000 2.209 993 K HA -0.098 4.397 4.320 0.292 0.000 0.204 993 K C 1.375 178.009 176.600 0.057 0.000 1.048 993 K CA 1.288 57.598 56.287 0.038 0.000 0.940 993 K CB -0.140 32.386 32.500 0.042 0.000 0.729 993 K HN 0.216 nan 8.250 nan 0.000 0.451 994 D N 0.217 120.642 120.400 0.041 0.000 2.103 994 D HA -0.115 4.700 4.640 0.292 0.000 0.199 994 D C 1.803 178.090 176.300 -0.021 0.000 0.978 994 D CA 0.948 54.959 54.000 0.018 0.000 0.829 994 D CB -0.011 40.807 40.800 0.030 0.000 0.981 994 D HN 0.153 nan 8.370 nan 0.000 0.464 995 I N 1.021 121.587 120.570 -0.008 0.000 2.286 995 I HA -0.215 4.130 4.170 0.292 0.000 0.248 995 I C 2.411 178.503 176.117 -0.041 0.000 1.115 995 I CA 0.913 62.192 61.300 -0.035 0.000 1.392 995 I CB -0.895 37.115 38.000 0.016 0.000 1.065 995 I HN 0.008 nan 8.210 nan 0.000 0.418 996 Q N 0.614 120.411 119.800 -0.006 0.000 2.170 996 Q HA -0.248 4.267 4.340 0.292 0.000 0.203 996 Q C 2.202 178.185 176.000 -0.029 0.000 0.976 996 Q CA 1.606 57.401 55.803 -0.015 0.000 0.858 996 Q CB -0.698 28.039 28.738 -0.002 0.000 0.907 996 Q HN 0.535 nan 8.270 nan 0.000 0.433 997 Y N -0.202 120.030 120.300 -0.113 0.000 2.114 997 Y HA -0.260 4.466 4.550 0.293 0.000 0.282 997 Y C 1.832 177.614 175.900 -0.197 0.000 1.165 997 Y CA 1.878 59.894 58.100 -0.139 0.000 1.148 997 Y CB -0.099 38.266 38.460 -0.159 0.000 0.972 997 Y HN 0.163 nan 8.280 nan 0.000 0.504 998 L N -0.026 121.169 121.223 -0.046 0.000 2.046 998 L HA -0.261 4.254 4.340 0.292 0.000 0.208 998 L C 2.385 179.167 176.870 -0.147 0.000 1.077 998 L CA 1.582 56.311 54.840 -0.184 0.000 0.747 998 L CB -0.427 41.406 42.059 -0.375 0.000 0.896 998 L HN 0.260 nan 8.230 nan 0.000 0.432 999 K N -0.241 120.093 120.400 -0.109 0.000 2.032 999 K HA -0.213 4.283 4.320 0.292 0.000 0.209 999 K C 1.637 178.195 176.600 -0.071 0.000 1.048 999 K CA 1.739 57.981 56.287 -0.076 0.000 0.927 999 K CB -0.258 32.210 32.500 -0.053 0.000 0.712 999 K HN 0.348 nan 8.250 nan 0.000 0.441 1000 D N 0.353 120.689 120.400 -0.108 0.000 2.144 1000 D HA -0.062 4.753 4.640 0.292 0.000 0.200 1000 D C 1.966 178.230 176.300 -0.060 0.000 0.978 1000 D CA 0.975 54.916 54.000 -0.099 0.000 0.833 1000 D CB -0.142 40.547 40.800 -0.185 0.000 0.961 1000 D HN 0.009 nan 8.370 nan 0.000 0.470 1001 S N 0.192 115.797 115.700 -0.158 0.000 2.402 1001 S HA 0.008 4.653 4.470 0.292 0.000 0.229 1001 S C 1.987 176.672 174.600 0.142 0.000 1.021 1001 S CA 0.440 58.568 58.200 -0.120 0.000 0.974 1001 S CB 0.053 63.093 63.200 -0.266 0.000 0.800 1001 S HN 0.238 nan 8.310 nan 0.000 0.484 1002 L N 0.819 122.060 121.223 0.029 0.000 2.567 1002 L HA 0.308 4.824 4.340 0.292 0.000 0.225 1002 L C 1.078 177.970 176.870 0.037 0.000 1.119 1002 L CA 0.123 54.955 54.840 -0.013 0.000 0.871 1002 L CB -0.426 41.559 42.059 -0.124 0.000 1.036 1002 L HN 0.272 nan 8.230 nan 0.000 0.459 1003 A N 0.587 123.468 122.820 0.102 0.000 2.511 1003 A HA -0.221 4.274 4.320 0.292 0.000 0.297 1003 A C 1.374 178.975 177.584 0.028 0.000 1.476 1003 A CA 0.483 52.578 52.037 0.098 0.000 0.757 1003 A CB -1.669 17.465 19.000 0.223 0.000 1.072 1003 A HN 0.358 nan 8.150 nan 0.000 0.413 1004 L N -0.739 120.480 121.223 -0.008 0.000 2.291 1004 L HA -0.083 4.433 4.340 0.292 0.000 0.214 1004 L C 2.416 179.277 176.870 -0.016 0.000 1.120 1004 L CA 1.943 56.769 54.840 -0.024 0.000 0.799 1004 L CB -0.794 41.244 42.059 -0.035 0.000 0.925 1004 L HN 0.783 nan 8.230 nan 0.000 0.446 1005 G N -0.200 108.592 108.800 -0.013 0.000 2.679 1005 G HA2 -0.098 4.037 3.960 0.292 0.000 0.212 1005 G HA3 -0.098 4.037 3.960 0.292 0.000 0.212 1005 G C 0.818 175.712 174.900 -0.009 0.000 1.137 1005 G CA 0.003 45.096 45.100 -0.012 0.000 0.787 1005 G HN 0.278 nan 8.290 nan 0.000 0.534 1006 K N 0.559 120.957 120.400 -0.004 0.000 2.139 1006 K HA 0.415 4.910 4.320 0.292 0.000 0.243 1006 K C 0.492 177.096 176.600 0.006 0.000 0.983 1006 K CA -0.497 55.792 56.287 0.002 0.000 0.890 1006 K CB 1.122 33.631 32.500 0.015 0.000 1.090 1006 K HN 0.111 nan 8.250 nan 0.000 0.445 1007 T N -2.290 112.269 114.554 0.009 0.000 2.802 1007 T HA -0.031 4.495 4.350 0.292 0.000 0.305 1007 T C 1.212 175.923 174.700 0.018 0.000 1.053 1007 T CA -0.227 61.879 62.100 0.009 0.000 1.058 1007 T CB 0.964 69.838 68.868 0.010 0.000 0.988 1007 T HN 0.756 nan 8.240 nan 0.000 0.539 1008 E N 0.081 120.287 120.200 0.009 0.000 2.153 1008 E HA -0.206 4.319 4.350 0.292 0.000 0.194 1008 E C 1.911 178.534 176.600 0.038 0.000 0.988 1008 E CA 1.305 57.713 56.400 0.014 0.000 0.811 1008 E CB -0.049 29.648 29.700 -0.006 0.000 0.746 1008 E HN 0.847 nan 8.360 nan 0.000 0.466 1009 E N 0.719 120.938 120.200 0.031 0.000 2.051 1009 E HA -0.195 4.330 4.350 0.292 0.000 0.192 1009 E C 1.790 178.423 176.600 0.056 0.000 0.991 1009 E CA 1.679 58.100 56.400 0.036 0.000 0.799 1009 E CB 0.078 29.791 29.700 0.023 0.000 0.748 1009 E HN 0.319 nan 8.360 nan 0.000 0.449 1010 E N -0.125 120.106 120.200 0.052 0.000 2.077 1010 E HA -0.204 4.321 4.350 0.292 0.000 0.193 1010 E C 2.084 178.755 176.600 0.119 0.000 0.989 1010 E CA 0.916 57.353 56.400 0.062 0.000 0.800 1010 E CB -0.228 29.490 29.700 0.030 0.000 0.746 1010 E HN 0.353 nan 8.360 nan 0.000 0.452 1011 A N 1.212 124.115 122.820 0.139 0.000 1.908 1011 A HA -0.186 4.309 4.320 0.292 0.000 0.218 1011 A C 2.164 179.946 177.584 0.330 0.000 1.181 1011 A CA 1.149 53.337 52.037 0.253 0.000 0.627 1011 A CB -0.513 18.614 19.000 0.213 0.000 0.818 1011 A HN 0.193 nan 8.150 nan 0.000 0.445 1012 L N -0.235 121.125 121.223 0.228 0.000 2.156 1012 L HA -0.064 4.451 4.340 0.292 0.000 0.208 1012 L C 2.287 179.250 176.870 0.156 0.000 1.095 1012 L CA 2.299 57.259 54.840 0.200 0.000 0.770 1012 L CB -0.514 41.611 42.059 0.109 0.000 0.914 1012 L HN 0.492 nan 8.230 nan 0.000 0.439 1013 K N -1.613 118.865 120.400 0.129 0.000 2.032 1013 K HA -0.291 4.204 4.320 0.292 0.000 0.209 1013 K C 2.301 178.978 176.600 0.128 0.000 1.048 1013 K CA 1.738 58.084 56.287 0.098 0.000 0.927 1013 K CB -0.247 32.304 32.500 0.084 0.000 0.712 1013 K HN 0.411 nan 8.250 nan 0.000 0.441 1014 H N -0.277 118.831 119.070 0.064 0.000 2.321 1014 H HA -0.160 4.571 4.556 0.292 0.000 0.300 1014 H C 1.757 177.095 175.328 0.017 0.000 1.087 1014 H CA 2.119 58.200 56.048 0.055 0.000 1.319 1014 H CB -0.533 29.290 29.762 0.101 0.000 1.379 1014 H HN 0.283 nan 8.280 nan 0.000 0.501 1015 F N 1.141 120.988 119.950 -0.171 0.000 2.161 1015 F HA -0.150 4.552 4.527 0.292 0.000 0.300 1015 F C 2.457 178.021 175.800 -0.392 0.000 1.089 1015 F CA 1.550 59.282 58.000 -0.448 0.000 1.282 1015 F CB -0.229 38.391 39.000 -0.633 0.000 1.010 1015 F HN 0.035 nan 8.300 nan 0.000 0.485 1016 R N -0.429 119.939 120.500 -0.219 0.000 2.096 1016 R HA -0.129 4.386 4.340 0.292 0.000 0.235 1016 R C 2.180 178.353 176.300 -0.213 0.000 1.127 1016 R CA 1.527 57.481 56.100 -0.244 0.000 0.968 1016 R CB -0.695 29.544 30.300 -0.101 0.000 0.861 1016 R HN 0.246 nan 8.270 nan 0.000 0.440 1017 V N 1.486 121.298 119.914 -0.171 0.000 2.343 1017 V HA -0.245 4.050 4.120 0.292 0.000 0.247 1017 V C 2.144 178.118 176.094 -0.200 0.000 1.051 1017 V CA 1.617 63.842 62.300 -0.126 0.000 1.036 1017 V CB -0.321 31.472 31.823 -0.050 0.000 0.654 1017 V HN 0.246 nan 8.190 nan 0.000 0.451 1018 K N -0.610 119.576 120.400 -0.357 0.000 2.057 1018 K HA -0.150 4.345 4.320 0.292 0.000 0.207 1018 K C 2.074 178.397 176.600 -0.462 0.000 1.049 1018 K CA 1.582 57.624 56.287 -0.408 0.000 0.931 1018 K CB -0.636 31.523 32.500 -0.569 0.000 0.714 1018 K HN 0.506 nan 8.250 nan 0.000 0.440 1019 F N 2.890 122.316 119.950 -0.874 0.000 2.113 1019 F HA -0.163 4.539 4.527 0.292 0.000 0.297 1019 F C 1.866 177.481 175.800 -0.309 0.000 1.103 1019 F CA 1.301 58.794 58.000 -0.845 0.000 1.248 1019 F CB -0.105 38.241 39.000 -1.090 0.000 0.999 1019 F HN 0.033 nan 8.300 nan 0.000 0.475 1020 N N 0.718 119.430 118.700 0.019 0.000 2.166 1020 N HA -0.172 4.743 4.740 0.292 0.000 0.186 1020 N C 1.707 177.199 175.510 -0.029 0.000 1.019 1020 N CA 1.567 54.648 53.050 0.052 0.000 0.856 1020 N CB -0.469 38.046 38.487 0.046 0.000 0.993 1020 N HN 0.494 nan 8.380 nan 0.000 0.426 1021 E N 0.453 120.609 120.200 -0.075 0.000 2.110 1021 E HA -0.068 4.457 4.350 0.292 0.000 0.193 1021 E C 1.835 178.399 176.600 -0.060 0.000 0.988 1021 E CA 0.934 57.297 56.400 -0.061 0.000 0.804 1021 E CB -0.037 29.624 29.700 -0.065 0.000 0.745 1021 E HN 0.355 nan 8.360 nan 0.000 0.458 1022 A N 1.154 123.919 122.820 -0.092 0.000 1.898 1022 A HA -0.148 4.348 4.320 0.292 0.000 0.216 1022 A C 2.134 179.684 177.584 -0.057 0.000 1.181 1022 A CA 0.854 52.857 52.037 -0.058 0.000 0.620 1022 A CB -0.433 18.571 19.000 0.007 0.000 0.819 1022 A HN 0.217 nan 8.150 nan 0.000 0.442 1023 L N -0.059 121.110 121.223 -0.091 0.000 2.083 1023 L HA -0.114 4.401 4.340 0.292 0.000 0.209 1023 L C 2.417 179.281 176.870 -0.009 0.000 1.083 1023 L CA 1.822 56.641 54.840 -0.034 0.000 0.752 1023 L CB -0.520 41.545 42.059 0.009 0.000 0.899 1023 L HN 0.339 nan 8.230 nan 0.000 0.433 1024 R N -0.771 119.722 120.500 -0.011 0.000 2.066 1024 R HA -0.159 4.356 4.340 0.292 0.000 0.232 1024 R C 2.181 178.480 176.300 -0.001 0.000 1.131 1024 R CA 1.204 57.303 56.100 -0.003 0.000 0.955 1024 R CB -0.386 29.909 30.300 -0.008 0.000 0.851 1024 R HN 0.285 nan 8.270 nan 0.000 0.432 1025 E N 1.353 121.543 120.200 -0.017 0.000 2.118 1025 E HA -0.105 4.420 4.350 0.292 0.000 0.195 1025 E C 0.246 176.831 176.600 -0.024 0.000 0.992 1025 E CA 0.832 57.211 56.400 -0.034 0.000 0.804 1025 E CB -0.199 29.477 29.700 -0.041 0.000 0.741 1025 E HN 0.005 nan 8.360 nan 0.000 0.458 1026 S N 0.459 116.173 115.700 0.023 0.000 2.589 1026 S HA -0.002 4.643 4.470 0.292 0.000 0.306 1026 S C -0.679 174.034 174.600 0.189 0.000 1.221 1026 S CA 0.027 58.288 58.200 0.102 0.000 1.159 1026 S CB -0.833 62.441 63.200 0.125 0.000 0.990 1026 S HN 0.296 nan 8.310 nan 0.000 0.514 1027 W N 0.000 121.268 121.300 -0.053 0.000 2.388 1027 W HA 0.000 4.835 4.660 0.292 0.000 0.303 1027 W CA 0.000 57.264 57.345 -0.135 0.000 1.226 1027 W CB 0.000 29.280 29.460 -0.300 0.000 1.126 1027 W HN 0.000 nan 8.180 nan 0.000 0.535