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 2wxr_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 0.000 176.103 176.094 0.014 0.000 1.182 109 V CA 0.000 62.307 62.300 0.012 0.000 1.235 109 V CB 0.000 31.829 31.823 0.010 0.000 1.184 110 K N 2.189 122.598 120.400 0.016 0.000 2.209 110 K HA -0.109 4.216 4.320 0.008 0.000 0.204 110 K C 1.757 178.371 176.600 0.024 0.000 1.048 110 K CA 2.372 58.671 56.287 0.020 0.000 0.940 110 K CB -0.259 32.254 32.500 0.020 0.000 0.729 110 K HN 0.474 nan 8.250 nan 0.000 0.451 111 K N 0.503 120.915 120.400 0.021 0.000 1.985 111 K HA -0.062 4.263 4.320 0.008 0.000 0.210 111 K C 1.863 178.476 176.600 0.021 0.000 1.047 111 K CA 1.782 58.082 56.287 0.022 0.000 0.932 111 K CB -0.467 32.044 32.500 0.017 0.000 0.716 111 K HN 0.190 nan 8.250 nan 0.000 0.439 112 L N 0.611 121.844 121.223 0.017 0.000 2.013 112 L HA -0.234 4.111 4.340 0.008 0.000 0.212 112 L C 2.387 179.267 176.870 0.017 0.000 1.073 112 L CA 1.611 56.461 54.840 0.016 0.000 0.753 112 L CB -0.446 41.621 42.059 0.013 0.000 0.890 112 L HN 0.268 nan 8.230 nan 0.000 0.432 113 I N -0.545 120.036 120.570 0.018 0.000 2.127 113 I HA -0.319 3.856 4.170 0.008 0.000 0.241 113 I C 2.294 178.427 176.117 0.027 0.000 1.075 113 I CA 1.291 62.603 61.300 0.020 0.000 1.334 113 I CB -0.532 37.480 38.000 0.020 0.000 1.040 113 I HN 0.369 nan 8.210 nan 0.000 0.405 114 N N 0.893 119.613 118.700 0.033 0.000 2.104 114 N HA -0.178 4.567 4.740 0.008 0.000 0.190 114 N C 2.056 177.588 175.510 0.036 0.000 1.024 114 N CA 2.029 55.104 53.050 0.042 0.000 0.853 114 N CB -0.467 38.048 38.487 0.047 0.000 1.008 114 N HN 0.438 nan 8.380 nan 0.000 0.424 115 S N 0.479 116.198 115.700 0.031 0.000 2.402 115 S HA -0.117 4.358 4.470 0.008 0.000 0.229 115 S C 1.829 176.443 174.600 0.024 0.000 1.021 115 S CA 0.833 59.051 58.200 0.028 0.000 0.974 115 S CB -0.356 62.859 63.200 0.025 0.000 0.800 115 S HN 0.358 nan 8.310 nan 0.000 0.484 116 Q N 0.724 120.537 119.800 0.021 0.000 2.123 116 Q HA 0.136 4.481 4.340 0.008 0.000 0.199 116 Q C 2.233 178.246 176.000 0.023 0.000 0.966 116 Q CA 1.335 57.148 55.803 0.017 0.000 0.845 116 Q CB -0.428 28.315 28.738 0.008 0.000 0.907 116 Q HN 0.585 nan 8.270 nan 0.000 0.439 117 I N 0.590 121.179 120.570 0.032 0.000 2.099 117 I HA -0.335 3.840 4.170 0.008 0.000 0.239 117 I C 2.279 178.422 176.117 0.043 0.000 1.066 117 I CA 1.187 62.518 61.300 0.051 0.000 1.324 117 I CB -0.379 37.664 38.000 0.072 0.000 1.037 117 I HN 0.109 nan 8.210 nan 0.000 0.401 118 S N 0.870 116.582 115.700 0.020 0.000 2.372 118 S HA -0.251 4.224 4.470 0.008 0.000 0.227 118 S C 1.967 176.569 174.600 0.003 0.000 1.044 118 S CA 1.655 59.847 58.200 -0.014 0.000 1.050 118 S CB -0.604 62.582 63.200 -0.023 0.000 0.901 118 S HN 0.311 nan 8.310 nan 0.000 0.447 119 L N 0.788 122.022 121.223 0.019 0.000 2.017 119 L HA -0.081 4.263 4.340 0.008 0.000 0.208 119 L C 2.230 179.124 176.870 0.041 0.000 1.073 119 L CA 1.327 56.183 54.840 0.027 0.000 0.745 119 L CB -0.395 41.679 42.059 0.025 0.000 0.894 119 L HN 0.265 nan 8.230 nan 0.000 0.432 120 L N -0.063 121.189 121.223 0.049 0.000 2.027 120 L HA -0.154 4.191 4.340 0.008 0.000 0.206 120 L C 2.150 179.081 176.870 0.101 0.000 1.074 120 L CA 2.126 57.014 54.840 0.080 0.000 0.745 120 L CB -0.527 41.575 42.059 0.071 0.000 0.898 120 L HN 0.448 nan 8.230 nan 0.000 0.433 121 I N -3.539 117.075 120.570 0.072 0.000 3.564 121 I HA 0.317 4.491 4.170 0.008 0.000 0.294 121 I C 1.421 177.542 176.117 0.006 0.000 1.289 121 I CA 0.573 61.887 61.300 0.023 0.000 1.325 121 I CB -0.868 37.168 38.000 0.060 0.000 1.039 121 I HN 0.351 nan 8.210 nan 0.000 0.474 122 G N 1.751 110.562 108.800 0.018 0.000 2.160 122 G HA2 -0.329 3.636 3.960 0.008 0.000 0.251 122 G HA3 -0.329 3.636 3.960 0.008 0.000 0.251 122 G C 0.082 174.973 174.900 -0.014 0.000 1.008 122 G CA 0.622 45.733 45.100 0.018 0.000 0.724 122 G HN 0.666 nan 8.290 nan 0.000 0.514 123 K N -0.491 119.874 120.400 -0.057 0.000 2.542 123 K HA 0.553 4.878 4.320 0.008 0.000 0.259 123 K C 0.277 176.717 176.600 -0.266 0.000 0.932 123 K CA -0.263 55.933 56.287 -0.152 0.000 0.820 123 K CB 1.219 33.633 32.500 -0.145 0.000 1.345 123 K HN 0.507 nan 8.250 nan 0.000 0.432 124 G N 3.520 112.079 108.800 -0.402 0.000 2.370 124 G HA2 0.225 4.190 3.960 0.008 0.000 0.272 124 G HA3 0.225 4.190 3.960 0.008 0.000 0.272 124 G C 0.963 175.420 174.900 -0.737 0.000 1.208 124 G CA -0.539 44.250 45.100 -0.518 0.000 0.856 124 G HN 0.655 nan 8.290 nan 0.000 0.500 125 L N 1.623 122.574 121.223 -0.454 0.000 2.187 125 L HA -0.189 4.156 4.340 0.008 0.000 0.213 125 L C 2.650 179.324 176.870 -0.327 0.000 1.100 125 L CA 1.694 56.290 54.840 -0.406 0.000 0.765 125 L CB -0.568 41.459 42.059 -0.053 0.000 0.904 125 L HN 0.915 nan 8.230 nan 0.000 0.437 126 H N -1.130 117.838 119.070 -0.171 0.000 2.456 126 H HA -0.121 4.438 4.556 0.006 0.000 0.296 126 H C 1.800 177.066 175.328 -0.104 0.000 1.079 126 H CA 1.079 57.073 56.048 -0.090 0.000 1.322 126 H CB -0.441 29.284 29.762 -0.062 0.000 1.388 126 H HN 0.378 nan 8.280 nan 0.000 0.538 127 E N 0.109 120.011 120.200 -0.498 0.000 2.204 127 E HA -0.081 4.274 4.350 0.008 0.000 0.194 127 E C 1.051 177.591 176.600 -0.101 0.000 0.989 127 E CA 0.680 56.894 56.400 -0.310 0.000 0.824 127 E CB -0.071 29.359 29.700 -0.449 0.000 0.756 127 E HN 0.434 nan 8.360 nan 0.000 0.477 128 F N 2.015 121.935 119.950 -0.051 0.000 2.084 128 F HA -0.156 4.377 4.527 0.009 0.000 0.296 128 F C 2.001 177.806 175.800 0.008 0.000 1.111 128 F CA 0.824 58.814 58.000 -0.017 0.000 1.224 128 F CB -0.981 38.020 39.000 0.001 0.000 0.991 128 F HN -0.034 nan 8.300 nan 0.000 0.471 129 D N 0.119 120.646 120.400 0.212 0.000 2.103 129 D HA -0.178 4.466 4.640 0.008 0.000 0.190 129 D C 2.229 178.591 176.300 0.102 0.000 0.997 129 D CA 1.981 56.065 54.000 0.139 0.000 0.833 129 D CB -0.807 40.063 40.800 0.117 0.000 0.961 129 D HN 0.181 nan 8.370 nan 0.000 0.447 130 S N 0.906 116.659 115.700 0.089 0.000 2.428 130 S HA -0.167 4.308 4.470 0.008 0.000 0.240 130 S C 2.137 176.770 174.600 0.055 0.000 1.036 130 S CA 0.625 58.864 58.200 0.065 0.000 1.009 130 S CB -0.398 62.839 63.200 0.061 0.000 0.803 130 S HN 0.291 nan 8.310 nan 0.000 0.486 131 L N 0.743 122.007 121.223 0.068 0.000 2.465 131 L HA 0.060 4.405 4.340 0.008 0.000 0.224 131 L C 0.406 177.306 176.870 0.050 0.000 1.145 131 L CA 0.093 54.966 54.840 0.054 0.000 0.834 131 L CB -0.489 41.609 42.059 0.065 0.000 0.944 131 L HN 0.118 nan 8.230 nan 0.000 0.451 132 R N 1.221 121.756 120.500 0.059 0.000 3.109 132 R HA -0.213 4.132 4.340 0.008 0.000 0.241 132 R C -0.437 175.894 176.300 0.053 0.000 0.882 132 R CA 0.534 56.668 56.100 0.056 0.000 0.604 132 R CB -2.433 27.897 30.300 0.049 0.000 1.040 132 R HN 0.308 nan 8.270 nan 0.000 0.480 133 D N -0.319 120.110 120.400 0.048 0.000 2.425 133 D HA 0.332 4.977 4.640 0.008 0.000 0.240 133 D C -1.546 174.771 176.300 0.028 0.000 1.080 133 D CA -2.526 51.493 54.000 0.031 0.000 0.836 133 D CB 1.557 42.359 40.800 0.003 0.000 1.125 133 D HN -0.109 nan 8.370 nan 0.000 0.525 134 P HA -0.170 nan 4.420 nan 0.000 0.216 134 P C 1.195 178.502 177.300 0.012 0.000 1.157 134 P CA 1.031 64.194 63.100 0.104 0.000 0.880 134 P CB 0.520 32.353 31.700 0.222 0.000 0.791 135 E N -0.459 119.606 120.200 -0.226 0.000 2.012 135 E HA -0.162 4.193 4.350 0.008 0.000 0.197 135 E C 1.988 178.461 176.600 -0.212 0.000 1.007 135 E CA 1.531 57.579 56.400 -0.586 0.000 0.816 135 E CB -0.600 28.656 29.700 -0.740 0.000 0.762 135 E HN -0.088 nan 8.360 nan 0.000 0.451 136 V N 2.109 121.934 119.914 -0.149 0.000 2.250 136 V HA -0.355 3.769 4.120 0.008 0.000 0.250 136 V C 2.097 178.199 176.094 0.013 0.000 1.060 136 V CA 2.208 64.449 62.300 -0.099 0.000 1.030 136 V CB -0.841 30.915 31.823 -0.112 0.000 0.643 136 V HN 0.289 nan 8.190 nan 0.000 0.445 137 N N 0.418 119.136 118.700 0.030 0.000 2.060 137 N HA -0.195 4.550 4.740 0.008 0.000 0.195 137 N C 1.501 177.064 175.510 0.087 0.000 1.028 137 N CA 2.042 55.134 53.050 0.069 0.000 0.861 137 N CB -0.561 37.971 38.487 0.075 0.000 1.029 137 N HN 0.569 nan 8.380 nan 0.000 0.428 138 D N -0.395 120.065 120.400 0.099 0.000 2.120 138 D HA -0.079 4.566 4.640 0.008 0.000 0.202 138 D C 1.811 178.174 176.300 0.104 0.000 0.972 138 D CA 0.308 54.378 54.000 0.117 0.000 0.837 138 D CB -0.711 40.202 40.800 0.188 0.000 0.989 138 D HN 0.200 nan 8.370 nan 0.000 0.469 139 F N 2.227 122.162 119.950 -0.024 0.000 2.063 139 F HA -0.267 4.264 4.527 0.007 0.000 0.298 139 F C 2.391 178.175 175.800 -0.027 0.000 1.109 139 F CA 1.767 59.745 58.000 -0.036 0.000 1.212 139 F CB 0.078 39.027 39.000 -0.085 0.000 0.973 139 F HN -0.193 nan 8.300 nan 0.000 0.480 140 R N -0.599 120.024 120.500 0.204 0.000 2.081 140 R HA -0.145 4.200 4.340 0.008 0.000 0.235 140 R C 2.294 178.610 176.300 0.028 0.000 1.131 140 R CA 2.047 58.212 56.100 0.109 0.000 0.960 140 R CB -0.884 29.481 30.300 0.108 0.000 0.856 140 R HN 0.512 nan 8.270 nan 0.000 0.436 141 T N -0.908 113.665 114.554 0.031 0.000 2.851 141 T HA -0.084 4.270 4.350 0.008 0.000 0.262 141 T C 1.886 176.586 174.700 -0.001 0.000 1.043 141 T CA 1.039 63.154 62.100 0.026 0.000 1.140 141 T CB -0.022 68.871 68.868 0.043 0.000 0.872 141 T HN 0.170 nan 8.240 nan 0.000 0.446 142 K N 0.582 120.964 120.400 -0.031 0.000 2.001 142 K HA -0.000 4.324 4.320 0.008 0.000 0.208 142 K C 2.397 178.959 176.600 -0.063 0.000 1.048 142 K CA 1.265 57.526 56.287 -0.044 0.000 0.932 142 K CB -0.291 32.173 32.500 -0.060 0.000 0.715 142 K HN 0.125 nan 8.250 nan 0.000 0.437 143 M N 0.915 120.395 119.600 -0.201 0.000 2.213 143 M HA -0.081 4.403 4.480 0.008 0.000 0.263 143 M C 2.223 178.519 176.300 -0.006 0.000 1.062 143 M CA 1.393 56.587 55.300 -0.177 0.000 1.105 143 M CB -0.954 31.320 32.600 -0.542 0.000 1.385 143 M HN 0.271 nan 8.290 nan 0.000 0.417 144 R N 0.299 120.788 120.500 -0.019 0.000 2.083 144 R HA -0.215 4.130 4.340 0.008 0.000 0.237 144 R C 2.245 178.561 176.300 0.028 0.000 1.137 144 R CA 1.963 58.074 56.100 0.019 0.000 0.951 144 R CB -0.251 30.064 30.300 0.026 0.000 0.851 144 R HN 0.491 nan 8.270 nan 0.000 0.434 145 Q N -0.572 119.252 119.800 0.041 0.000 2.050 145 Q HA -0.216 4.129 4.340 0.008 0.000 0.202 145 Q C 1.937 177.980 176.000 0.071 0.000 0.980 145 Q CA 1.846 57.678 55.803 0.048 0.000 0.840 145 Q CB -0.245 28.526 28.738 0.055 0.000 0.898 145 Q HN 0.326 nan 8.270 nan 0.000 0.424 146 F N 0.668 120.589 119.950 -0.047 0.000 2.069 146 F HA -0.285 4.247 4.527 0.008 0.000 0.298 146 F C 2.206 177.984 175.800 -0.036 0.000 1.113 146 F CA 1.612 59.587 58.000 -0.042 0.000 1.214 146 F CB -0.840 38.124 39.000 -0.060 0.000 0.978 146 F HN 0.209 nan 8.300 nan 0.000 0.474 147 C N 0.631 119.865 119.300 -0.110 0.000 2.425 147 C HA -0.162 4.303 4.460 0.008 0.000 0.277 147 C C 2.674 177.556 174.990 -0.181 0.000 1.280 147 C CA 1.263 60.166 59.018 -0.192 0.000 1.744 147 C CB -1.288 26.429 27.740 -0.039 0.000 1.989 147 C HN 0.542 nan 8.230 nan 0.000 0.491 148 E N 0.592 120.727 120.200 -0.108 0.000 2.110 148 E HA -0.194 4.161 4.350 0.008 0.000 0.193 148 E C 2.039 178.578 176.600 -0.102 0.000 0.988 148 E CA 1.156 57.504 56.400 -0.087 0.000 0.804 148 E CB -0.153 29.521 29.700 -0.043 0.000 0.745 148 E HN 0.713 nan 8.360 nan 0.000 0.458 149 E N 0.663 120.790 120.200 -0.123 0.000 2.107 149 E HA -0.114 4.241 4.350 0.008 0.000 0.191 149 E C 2.093 178.616 176.600 -0.128 0.000 0.982 149 E CA 0.716 57.056 56.400 -0.100 0.000 0.809 149 E CB -0.088 29.565 29.700 -0.078 0.000 0.756 149 E HN 0.187 nan 8.360 nan 0.000 0.459 150 A N 1.708 124.370 122.820 -0.263 0.000 1.940 150 A HA -0.162 4.162 4.320 0.008 0.000 0.219 150 A C 2.395 179.882 177.584 -0.163 0.000 1.176 150 A CA 1.800 53.673 52.037 -0.274 0.000 0.631 150 A CB -0.603 18.154 19.000 -0.405 0.000 0.814 150 A HN 0.297 nan 8.150 nan 0.000 0.446 151 A N -0.584 122.145 122.820 -0.151 0.000 1.968 151 A HA 0.320 4.645 4.320 0.008 0.000 0.217 151 A C 2.417 179.952 177.584 -0.081 0.000 1.169 151 A CA 1.593 53.554 52.037 -0.127 0.000 0.638 151 A CB -0.755 18.174 19.000 -0.119 0.000 0.812 151 A HN 0.956 nan 8.150 nan 0.000 0.446 152 A N -0.892 121.893 122.820 -0.058 0.000 1.898 152 A HA -0.149 4.176 4.320 0.008 0.000 0.216 152 A C 1.930 179.494 177.584 -0.032 0.000 1.181 152 A CA 1.854 53.864 52.037 -0.046 0.000 0.620 152 A CB -0.916 18.059 19.000 -0.041 0.000 0.819 152 A HN 0.727 nan 8.150 nan 0.000 0.442 153 H N -0.550 118.454 119.070 -0.109 0.000 2.353 153 H HA -0.188 4.372 4.556 0.007 0.000 0.298 153 H C 2.295 177.558 175.328 -0.107 0.000 1.103 153 H CA 2.214 58.201 56.048 -0.102 0.000 1.293 153 H CB -0.012 29.681 29.762 -0.115 0.000 1.372 153 H HN 0.467 nan 8.280 nan 0.000 0.501 154 R N -0.189 120.332 120.500 0.036 0.000 2.081 154 R HA -0.128 4.217 4.340 0.008 0.000 0.235 154 R C 2.057 178.339 176.300 -0.029 0.000 1.131 154 R CA 1.516 57.582 56.100 -0.057 0.000 0.960 154 R CB 0.090 30.259 30.300 -0.219 0.000 0.856 154 R HN 0.334 nan 8.270 nan 0.000 0.436 155 Q N 0.343 120.105 119.800 -0.064 0.000 2.364 155 Q HA -0.157 4.188 4.340 0.008 0.000 0.207 155 Q C 1.324 177.262 176.000 -0.102 0.000 0.970 155 Q CA 1.447 57.192 55.803 -0.095 0.000 0.888 155 Q CB 0.218 28.898 28.738 -0.096 0.000 0.951 155 Q HN 0.702 nan 8.270 nan 0.000 0.469 156 Q N -1.023 118.720 119.800 -0.095 0.000 2.247 156 Q HA 0.200 4.545 4.340 0.008 0.000 0.211 156 Q C 0.273 176.220 176.000 -0.088 0.000 0.861 156 Q CA -0.188 55.553 55.803 -0.104 0.000 0.949 156 Q CB 0.172 28.835 28.738 -0.126 0.000 1.115 156 Q HN 0.174 nan 8.270 nan 0.000 0.507 157 L N 2.143 123.336 121.223 -0.050 0.000 2.499 157 L HA 0.119 4.463 4.340 0.008 0.000 0.281 157 L C 0.970 177.839 176.870 -0.002 0.000 1.234 157 L CA 0.418 55.253 54.840 -0.008 0.000 0.839 157 L CB 0.027 42.131 42.059 0.076 0.000 1.104 157 L HN 0.266 nan 8.230 nan 0.000 0.500 158 G N 1.410 110.193 108.800 -0.028 0.000 2.594 158 G HA2 -0.042 3.923 3.960 0.008 0.000 0.243 158 G HA3 -0.042 3.923 3.960 0.008 0.000 0.243 158 G C 0.798 175.681 174.900 -0.029 0.000 1.229 158 G CA -0.348 44.716 45.100 -0.060 0.000 0.843 158 G HN 1.022 nan 8.290 nan 0.000 0.578 159 W N 1.096 122.364 121.300 -0.054 0.000 2.363 159 W HA -0.116 4.548 4.660 0.007 0.000 0.296 159 W C 1.283 177.790 176.519 -0.020 0.000 1.212 159 W CA 1.134 58.450 57.345 -0.048 0.000 1.260 159 W CB -1.205 28.175 29.460 -0.134 0.000 1.131 159 W HN 0.222 nan 8.180 nan 0.000 0.530 160 V N 2.246 121.619 119.914 -0.903 0.000 2.343 160 V HA -0.305 3.819 4.120 0.008 0.000 0.247 160 V C 2.466 178.356 176.094 -0.340 0.000 1.051 160 V CA 2.525 64.346 62.300 -0.798 0.000 1.036 160 V CB -1.041 30.181 31.823 -1.003 0.000 0.654 160 V HN 0.139 nan 8.190 nan 0.000 0.451 161 E N -0.575 119.495 120.200 -0.216 0.000 2.204 161 E HA -0.239 4.116 4.350 0.008 0.000 0.195 161 E C 1.979 178.592 176.600 0.023 0.000 0.990 161 E CA 1.387 57.743 56.400 -0.073 0.000 0.821 161 E CB -0.224 29.453 29.700 -0.039 0.000 0.750 161 E HN 0.835 nan 8.360 nan 0.000 0.477 162 W N 1.700 122.941 121.300 -0.099 0.000 2.409 162 W HA -0.123 4.540 4.660 0.006 0.000 0.299 162 W C 1.488 177.973 176.519 -0.057 0.000 1.203 162 W CA 0.837 58.158 57.345 -0.041 0.000 1.298 162 W CB -0.211 29.225 29.460 -0.040 0.000 1.127 162 W HN 0.049 nan 8.180 nan 0.000 0.528 163 L N 0.968 122.153 121.223 -0.063 0.000 2.012 163 L HA -0.285 4.060 4.340 0.008 0.000 0.210 163 L C 2.729 179.484 176.870 -0.192 0.000 1.073 163 L CA 1.909 56.633 54.840 -0.194 0.000 0.748 163 L CB -1.101 40.759 42.059 -0.332 0.000 0.891 163 L HN 0.065 nan 8.230 nan 0.000 0.431 164 Q N -1.101 118.637 119.800 -0.105 0.000 2.133 164 Q HA -0.297 4.047 4.340 0.008 0.000 0.208 164 Q C 2.027 177.956 176.000 -0.118 0.000 0.991 164 Q CA 2.407 58.218 55.803 0.013 0.000 0.867 164 Q CB -0.402 28.361 28.738 0.042 0.000 0.911 164 Q HN 0.508 nan 8.270 nan 0.000 0.417 165 Y N 0.253 120.341 120.300 -0.353 0.000 2.133 165 Y HA -0.196 4.358 4.550 0.006 0.000 0.287 165 Y C 2.366 177.845 175.900 -0.703 0.000 1.134 165 Y CA 1.817 59.624 58.100 -0.487 0.000 1.133 165 Y CB -0.348 37.772 38.460 -0.566 0.000 0.987 165 Y HN -0.071 nan 8.280 nan 0.000 0.502 166 S N -0.652 114.212 115.700 -1.393 0.000 2.377 166 S HA 0.051 4.526 4.470 0.008 0.000 0.223 166 S C -0.158 173.580 174.600 -1.436 0.000 1.030 166 S CA 0.721 57.820 58.200 -1.835 0.000 0.970 166 S CB -0.252 61.577 63.200 -2.285 0.000 0.830 166 S HN 0.340 nan 8.310 nan 0.000 0.473 167 F N 1.857 121.586 119.950 -0.368 0.000 2.531 167 F HA 0.432 4.963 4.527 0.007 0.000 0.333 167 F C -2.872 172.927 175.800 -0.003 0.000 1.292 167 F CA -3.164 54.764 58.000 -0.120 0.000 1.184 167 F CB 0.185 39.224 39.000 0.064 0.000 1.426 167 F HN -0.100 nan 8.300 nan 0.000 0.559 168 P HA 0.041 nan 4.420 nan 0.000 0.268 168 P C 0.262 177.606 177.300 0.075 0.000 1.204 168 P CA -0.045 63.084 63.100 0.049 0.000 0.768 168 P CB 0.901 32.569 31.700 -0.054 0.000 0.842 169 L N 2.872 124.130 121.223 0.059 0.000 2.506 169 L HA -0.037 4.308 4.340 0.008 0.000 0.281 169 L C 1.123 177.984 176.870 -0.015 0.000 1.228 169 L CA 0.672 55.504 54.840 -0.013 0.000 0.850 169 L CB -0.208 41.781 42.059 -0.116 0.000 1.110 169 L HN 0.335 nan 8.230 nan 0.000 0.496 170 Q N 4.779 124.598 119.800 0.031 0.000 2.560 170 Q HA 0.443 4.788 4.340 0.008 0.000 0.238 170 Q C -1.096 174.912 176.000 0.013 0.000 1.079 170 Q CA -0.310 55.504 55.803 0.017 0.000 0.866 170 Q CB 1.246 30.012 28.738 0.047 0.000 1.153 170 Q HN 0.486 nan 8.270 nan 0.000 0.530 171 L N 0.599 121.761 121.223 -0.100 0.000 2.352 171 L HA 0.372 4.717 4.340 0.008 0.000 0.269 171 L C 0.650 177.435 176.870 -0.141 0.000 1.034 171 L CA -0.948 53.767 54.840 -0.207 0.000 0.806 171 L CB 1.006 42.831 42.059 -0.390 0.000 1.244 171 L HN 0.304 nan 8.230 nan 0.000 0.447 172 E N 1.817 121.922 120.200 -0.158 0.000 2.338 172 E HA 0.224 4.578 4.350 0.008 0.000 0.272 172 E C -1.888 174.617 176.600 -0.159 0.000 1.029 172 E CA -1.309 55.013 56.400 -0.130 0.000 0.872 172 E CB 0.557 30.175 29.700 -0.137 0.000 1.015 172 E HN 0.344 nan 8.360 nan 0.000 0.417 188 R N 1.199 121.710 120.500 0.017 0.000 2.628 188 R HA 0.766 5.111 4.340 0.008 0.000 0.288 188 R C -1.137 175.173 176.300 0.016 0.000 0.980 188 R CA -0.342 55.767 56.100 0.014 0.000 0.891 188 R CB 1.751 32.056 30.300 0.008 0.000 1.188 188 R HN 0.387 nan 8.270 nan 0.000 0.450 189 A N 4.330 127.160 122.820 0.017 0.000 2.322 189 A HA 0.599 4.924 4.320 0.008 0.000 0.269 189 A C -0.193 177.403 177.584 0.019 0.000 1.094 189 A CA -0.513 51.537 52.037 0.021 0.000 0.807 189 A CB 0.438 19.452 19.000 0.024 0.000 1.047 189 A HN 0.678 nan 8.150 nan 0.000 0.487 190 L N -0.808 120.430 121.223 0.025 0.000 2.397 190 L HA 0.895 5.239 4.340 0.008 0.000 0.251 190 L C -1.229 175.661 176.870 0.033 0.000 1.064 190 L CA -1.016 53.836 54.840 0.021 0.000 0.859 190 L CB 1.677 43.743 42.059 0.011 0.000 1.468 190 L HN 0.534 nan 8.230 nan 0.000 0.411 191 L N 1.530 122.769 121.223 0.026 0.000 2.307 191 L HA 0.797 5.142 4.340 0.008 0.000 0.284 191 L C -1.045 175.836 176.870 0.018 0.000 1.023 191 L CA -0.409 54.449 54.840 0.030 0.000 0.810 191 L CB 1.845 43.916 42.059 0.022 0.000 1.231 191 L HN 0.502 nan 8.230 nan 0.000 0.423 192 V N 3.832 123.760 119.914 0.023 0.000 2.760 192 V HA 0.394 4.518 4.120 0.008 0.000 0.309 192 V C -0.627 175.427 176.094 -0.067 0.000 1.077 192 V CA -0.916 61.378 62.300 -0.010 0.000 0.910 192 V CB 2.040 33.897 31.823 0.056 0.000 1.008 192 V HN 0.734 nan 8.190 nan 0.000 0.424 193 N N 2.837 121.374 118.700 -0.271 0.000 2.425 193 N HA 0.589 5.334 4.740 0.008 0.000 0.268 193 N C -1.199 174.228 175.510 -0.138 0.000 0.991 193 N CA -0.039 52.833 53.050 -0.297 0.000 0.931 193 N CB 1.887 39.993 38.487 -0.635 0.000 1.130 193 N HN 0.451 nan 8.380 nan 0.000 0.493 194 V N 2.963 122.891 119.914 0.023 0.000 3.019 194 V HA 0.633 4.758 4.120 0.008 0.000 0.317 194 V C -0.513 175.643 176.094 0.103 0.000 1.094 194 V CA -0.623 61.713 62.300 0.059 0.000 1.000 194 V CB 2.112 34.013 31.823 0.129 0.000 1.060 194 V HN 0.802 nan 8.190 nan 0.000 0.443 195 K N 0.793 121.197 120.400 0.007 0.000 2.685 195 K HA 0.555 4.880 4.320 0.008 0.000 0.290 195 K C -1.813 174.750 176.600 -0.061 0.000 1.018 195 K CA -0.834 55.514 56.287 0.102 0.000 0.860 195 K CB 1.091 33.647 32.500 0.092 0.000 1.498 195 K HN 0.275 nan 8.250 nan 0.000 0.390 196 F N 0.936 120.964 119.950 0.130 0.000 2.509 196 F HA 0.334 4.866 4.527 0.007 0.000 0.334 196 F C 1.993 177.848 175.800 0.092 0.000 1.060 196 F CA -0.614 57.449 58.000 0.105 0.000 0.997 196 F CB 1.565 40.622 39.000 0.094 0.000 1.271 196 F HN 0.834 nan 8.300 nan 0.000 0.488 197 E N 0.936 121.310 120.200 0.290 0.000 2.023 197 E HA -0.100 4.255 4.350 0.008 0.000 0.196 197 E C 2.044 178.736 176.600 0.153 0.000 1.003 197 E CA 1.487 57.994 56.400 0.179 0.000 0.809 197 E CB -0.455 29.342 29.700 0.161 0.000 0.755 197 E HN 0.871 nan 8.360 nan 0.000 0.449 198 G N 0.791 109.687 108.800 0.161 0.000 2.981 198 G HA2 -0.330 3.635 3.960 0.008 0.000 0.199 198 G HA3 -0.330 3.635 3.960 0.008 0.000 0.199 198 G C 0.708 175.678 174.900 0.116 0.000 1.434 198 G CA 1.170 46.343 45.100 0.121 0.000 0.800 198 G HN 0.485 nan 8.290 nan 0.000 0.702 199 S N 0.072 115.853 115.700 0.136 0.000 2.587 199 S HA 0.234 4.709 4.470 0.008 0.000 0.260 199 S C 0.486 175.145 174.600 0.098 0.000 1.353 199 S CA 0.622 58.887 58.200 0.108 0.000 0.995 199 S CB 1.118 64.389 63.200 0.118 0.000 0.912 199 S HN 0.461 nan 8.310 nan 0.000 0.568 200 E N -0.137 120.096 120.200 0.055 0.000 2.437 200 E HA 0.229 4.584 4.350 0.008 0.000 0.195 200 E C -0.675 175.922 176.600 -0.005 0.000 1.029 200 E CA -0.131 56.291 56.400 0.036 0.000 0.948 200 E CB -0.029 29.685 29.700 0.023 0.000 1.082 200 E HN 0.699 nan 8.360 nan 0.000 0.456 201 E N 1.383 121.572 120.200 -0.019 0.000 2.290 201 E HA 0.227 4.582 4.350 0.008 0.000 0.277 201 E C -0.353 176.120 176.600 -0.212 0.000 1.035 201 E CA -0.237 56.080 56.400 -0.138 0.000 0.873 201 E CB 0.805 30.415 29.700 -0.151 0.000 1.029 201 E HN 0.156 nan 8.360 nan 0.000 0.419 202 S N 2.508 118.018 115.700 -0.317 0.000 2.536 202 S HA 0.660 5.135 4.470 0.008 0.000 0.298 202 S C -0.797 173.501 174.600 -0.503 0.000 1.083 202 S CA -0.925 57.108 58.200 -0.280 0.000 0.995 202 S CB 0.761 63.908 63.200 -0.088 0.000 1.058 202 S HN 0.293 nan 8.310 nan 0.000 0.488 203 F N 0.426 120.316 119.950 -0.100 0.000 2.541 203 F HA 0.672 5.204 4.527 0.008 0.000 0.331 203 F C 0.610 176.180 175.800 -0.385 0.000 1.057 203 F CA -0.759 57.072 58.000 -0.282 0.000 0.975 203 F CB 2.212 40.952 39.000 -0.433 0.000 1.246 203 F HN 0.509 nan 8.300 nan 0.000 0.484 204 T N 2.133 116.513 114.554 -0.291 0.000 2.847 204 T HA 0.526 4.881 4.350 0.008 0.000 0.291 204 T C -0.994 173.502 174.700 -0.340 0.000 0.998 204 T CA -0.456 61.491 62.100 -0.255 0.000 0.967 204 T CB 0.383 69.175 68.868 -0.126 0.000 0.954 204 T HN 0.161 nan 8.240 nan 0.000 0.441 205 F N 1.586 121.550 119.950 0.023 0.000 2.450 205 F HA 0.574 5.105 4.527 0.008 0.000 0.328 205 F C 0.761 176.563 175.800 0.002 0.000 1.068 205 F CA -1.034 56.973 58.000 0.012 0.000 1.007 205 F CB 1.247 40.243 39.000 -0.006 0.000 1.251 205 F HN 0.284 nan 8.300 nan 0.000 0.492 206 Q N 1.990 121.933 119.800 0.239 0.000 2.309 206 Q HA 0.662 5.006 4.340 0.008 0.000 0.270 206 Q C -1.735 174.325 176.000 0.101 0.000 1.023 206 Q CA -0.594 55.285 55.803 0.126 0.000 0.758 206 Q CB 2.006 30.796 28.738 0.087 0.000 1.247 206 Q HN 0.635 nan 8.270 nan 0.000 0.455 207 V N -0.327 119.628 119.914 0.069 0.000 3.147 207 V HA 0.566 4.691 4.120 0.008 0.000 0.306 207 V C -0.205 175.907 176.094 0.030 0.000 1.209 207 V CA -1.133 61.188 62.300 0.035 0.000 1.023 207 V CB 1.603 33.431 31.823 0.009 0.000 1.059 207 V HN 0.661 nan 8.190 nan 0.000 0.435 208 S N 0.977 116.690 115.700 0.021 0.000 2.560 208 S HA 0.150 4.625 4.470 0.008 0.000 0.284 208 S C 1.653 176.272 174.600 0.031 0.000 1.327 208 S CA 0.425 58.639 58.200 0.023 0.000 1.055 208 S CB 0.847 64.057 63.200 0.017 0.000 0.868 208 S HN 1.574 nan 8.310 nan 0.000 0.506 209 T N 2.293 116.867 114.554 0.034 0.000 2.822 209 T HA -0.211 4.143 4.350 0.008 0.000 0.270 209 T C 1.402 176.136 174.700 0.056 0.000 1.064 209 T CA 1.662 63.791 62.100 0.048 0.000 1.131 209 T CB -0.411 68.483 68.868 0.043 0.000 0.858 209 T HN 0.831 nan 8.240 nan 0.000 0.483 210 K N 0.901 121.323 120.400 0.036 0.000 2.444 210 K HA 0.091 4.415 4.320 0.008 0.000 0.193 210 K C -0.559 176.047 176.600 0.009 0.000 1.024 210 K CA -0.149 56.150 56.287 0.018 0.000 1.077 210 K CB 0.085 32.592 32.500 0.012 0.000 0.833 210 K HN 0.167 nan 8.250 nan 0.000 0.517 211 D N 2.344 122.759 120.400 0.025 0.000 2.389 211 D HA 0.056 4.701 4.640 0.008 0.000 0.247 211 D C 0.532 176.861 176.300 0.049 0.000 1.128 211 D CA 0.208 54.220 54.000 0.021 0.000 0.884 211 D CB 0.701 41.507 40.800 0.010 0.000 1.194 211 D HN 0.064 nan 8.370 nan 0.000 0.441 212 M N 3.035 122.657 119.600 0.038 0.000 2.252 212 M HA 0.038 4.523 4.480 0.008 0.000 0.333 212 M C -1.312 175.046 176.300 0.097 0.000 1.111 212 M CA -1.310 54.035 55.300 0.076 0.000 1.140 212 M CB -0.141 32.481 32.600 0.037 0.000 1.538 212 M HN 0.070 nan 8.290 nan 0.000 0.448 213 P HA -0.153 nan 4.420 nan 0.000 0.217 213 P C 1.621 178.954 177.300 0.056 0.000 1.148 213 P CA 0.967 64.126 63.100 0.098 0.000 0.828 213 P CB 0.003 31.778 31.700 0.125 0.000 0.783 214 L N -0.471 120.796 121.223 0.074 0.000 2.083 214 L HA -0.113 4.232 4.340 0.008 0.000 0.209 214 L C 2.270 179.137 176.870 -0.005 0.000 1.083 214 L CA 1.935 56.805 54.840 0.051 0.000 0.752 214 L CB -1.347 40.750 42.059 0.064 0.000 0.899 214 L HN -0.109 nan 8.230 nan 0.000 0.433 215 A N -0.511 122.300 122.820 -0.016 0.000 1.908 215 A HA -0.247 4.077 4.320 0.008 0.000 0.218 215 A C 2.342 179.854 177.584 -0.119 0.000 1.181 215 A CA 2.159 54.163 52.037 -0.054 0.000 0.627 215 A CB -1.022 17.955 19.000 -0.038 0.000 0.818 215 A HN 0.548 nan 8.150 nan 0.000 0.445 216 L N -1.085 120.068 121.223 -0.117 0.000 2.093 216 L HA -0.139 4.206 4.340 0.008 0.000 0.208 216 L C 2.607 179.318 176.870 -0.264 0.000 1.085 216 L CA 1.564 56.281 54.840 -0.205 0.000 0.755 216 L CB -0.222 41.764 42.059 -0.120 0.000 0.904 216 L HN 0.420 nan 8.230 nan 0.000 0.435 217 M N -0.615 118.887 119.600 -0.163 0.000 2.149 217 M HA -0.208 4.277 4.480 0.008 0.000 0.261 217 M C 2.386 178.567 176.300 -0.198 0.000 1.064 217 M CA 1.723 56.916 55.300 -0.177 0.000 1.102 217 M CB -0.589 31.966 32.600 -0.076 0.000 1.369 217 M HN 0.475 nan 8.290 nan 0.000 0.408 218 A N -0.404 122.321 122.820 -0.157 0.000 1.972 218 A HA -0.183 4.142 4.320 0.008 0.000 0.219 218 A C 2.308 179.765 177.584 -0.212 0.000 1.169 218 A CA 1.596 53.550 52.037 -0.138 0.000 0.635 218 A CB -1.219 17.724 19.000 -0.094 0.000 0.810 218 A HN 0.586 nan 8.150 nan 0.000 0.446 219 C N -1.224 117.852 119.300 -0.373 0.000 2.413 219 C HA -0.014 4.451 4.460 0.008 0.000 0.278 219 C C 3.338 178.023 174.990 -0.508 0.000 1.224 219 C CA 1.057 59.699 59.018 -0.626 0.000 1.732 219 C CB -1.347 25.573 27.740 -1.367 0.000 2.050 219 C HN 0.727 nan 8.230 nan 0.000 0.463 220 A N 0.230 122.747 122.820 -0.505 0.000 1.884 220 A HA -0.231 4.094 4.320 0.008 0.000 0.219 220 A C 2.062 179.641 177.584 -0.008 0.000 1.197 220 A CA 2.134 54.120 52.037 -0.084 0.000 0.637 220 A CB -0.829 18.066 19.000 -0.175 0.000 0.827 220 A HN 0.654 nan 8.150 nan 0.000 0.450 221 L N -1.881 119.322 121.223 -0.034 0.000 2.141 221 L HA -0.142 4.202 4.340 0.008 0.000 0.209 221 L C 2.795 179.628 176.870 -0.062 0.000 1.094 221 L CA 1.488 56.326 54.840 -0.004 0.000 0.763 221 L CB -0.384 41.654 42.059 -0.035 0.000 0.908 221 L HN 0.313 nan 8.230 nan 0.000 0.437 222 R N -0.146 120.310 120.500 -0.073 0.000 2.081 222 R HA -0.127 4.218 4.340 0.008 0.000 0.235 222 R C 2.409 178.678 176.300 -0.050 0.000 1.131 222 R CA 1.128 57.198 56.100 -0.050 0.000 0.960 222 R CB -0.031 30.243 30.300 -0.044 0.000 0.856 222 R HN 0.104 nan 8.270 nan 0.000 0.436 223 K N 0.572 120.915 120.400 -0.096 0.000 2.002 223 K HA -0.191 4.134 4.320 0.008 0.000 0.209 223 K C 1.940 178.380 176.600 -0.266 0.000 1.048 223 K CA 1.444 57.571 56.287 -0.267 0.000 0.930 223 K CB -0.244 31.822 32.500 -0.723 0.000 0.714 223 K HN 0.128 nan 8.250 nan 0.000 0.438 224 K N 0.604 120.837 120.400 -0.279 0.000 2.009 224 K HA -0.131 4.194 4.320 0.008 0.000 0.210 224 K C 2.022 178.630 176.600 0.013 0.000 1.049 224 K CA 1.570 57.806 56.287 -0.084 0.000 0.929 224 K CB -0.192 32.074 32.500 -0.390 0.000 0.714 224 K HN 0.089 nan 8.250 nan 0.000 0.440 225 A N 0.615 123.400 122.820 -0.059 0.000 2.024 225 A HA -0.164 4.161 4.320 0.008 0.000 0.220 225 A C 2.105 179.726 177.584 0.062 0.000 1.164 225 A CA 2.247 54.282 52.037 -0.004 0.000 0.643 225 A CB -1.008 17.973 19.000 -0.031 0.000 0.806 225 A HN 0.696 nan 8.150 nan 0.000 0.451 226 T N -2.052 112.537 114.554 0.059 0.000 2.735 226 T HA -0.085 4.270 4.350 0.008 0.000 0.256 226 T C 1.733 176.504 174.700 0.118 0.000 1.042 226 T CA 1.350 63.496 62.100 0.076 0.000 1.147 226 T CB -1.071 67.834 68.868 0.061 0.000 0.865 226 T HN 0.096 nan 8.240 nan 0.000 0.421 227 V N 0.986 121.007 119.914 0.178 0.000 2.282 227 V HA -0.133 3.992 4.120 0.008 0.000 0.249 227 V C 2.386 178.563 176.094 0.138 0.000 1.057 227 V CA 1.686 64.100 62.300 0.191 0.000 1.032 227 V CB -1.140 30.875 31.823 0.320 0.000 0.645 227 V HN 0.342 nan 8.190 nan 0.000 0.447 228 F N 0.215 120.179 119.950 0.023 0.000 2.699 228 F HA 0.083 4.615 4.527 0.007 0.000 0.298 228 F C 1.575 177.369 175.800 -0.011 0.000 1.154 228 F CA 0.421 58.417 58.000 -0.008 0.000 1.457 228 F CB -0.058 38.917 39.000 -0.042 0.000 1.106 228 F HN 0.068 nan 8.300 nan 0.000 0.585 229 R N 0.268 120.849 120.500 0.135 0.000 3.951 229 R HA -0.264 4.080 4.340 0.008 0.000 0.352 229 R C 0.313 176.661 176.300 0.080 0.000 1.178 229 R CA 0.962 57.109 56.100 0.078 0.000 0.949 229 R CB -2.238 28.086 30.300 0.039 0.000 1.452 229 R HN 0.622 nan 8.270 nan 0.000 0.540 236 P HA -0.139 nan 4.420 nan 0.000 0.218 236 P C 0.278 177.728 177.300 0.250 0.000 1.148 236 P CA 1.131 64.329 63.100 0.165 0.000 0.822 236 P CB 0.505 32.251 31.700 0.077 0.000 0.784 237 E N -0.296 120.033 120.200 0.215 0.000 2.409 237 E HA -0.134 4.221 4.350 0.008 0.000 0.198 237 E C 1.596 178.399 176.600 0.337 0.000 1.024 237 E CA 0.634 57.182 56.400 0.246 0.000 0.861 237 E CB -0.761 29.046 29.700 0.178 0.000 0.788 237 E HN 0.388 nan 8.360 nan 0.000 0.521 238 E N -0.426 119.932 120.200 0.264 0.000 2.478 238 E HA -0.055 4.300 4.350 0.008 0.000 0.198 238 E C -0.188 176.204 176.600 -0.346 0.000 1.046 238 E CA 0.548 56.931 56.400 -0.029 0.000 0.870 238 E CB 0.105 29.774 29.700 -0.051 0.000 0.818 238 E HN 0.377 nan 8.360 nan 0.000 0.527 239 Y N -0.599 119.752 120.300 0.084 0.000 2.662 239 Y HA 0.586 5.141 4.550 0.008 0.000 0.335 239 Y C 0.056 176.097 175.900 0.236 0.000 1.066 239 Y CA -1.149 56.988 58.100 0.062 0.000 1.116 239 Y CB 1.706 40.216 38.460 0.084 0.000 1.308 239 Y HN -0.202 nan 8.280 nan 0.000 0.502 240 A N 0.868 123.938 122.820 0.418 0.000 2.539 240 A HA 0.781 5.105 4.320 0.008 0.000 0.296 240 A C -1.982 175.811 177.584 0.348 0.000 1.073 240 A CA -0.791 51.502 52.037 0.427 0.000 0.700 240 A CB 1.133 20.419 19.000 0.476 0.000 1.296 240 A HN 0.682 nan 8.150 nan 0.000 0.405 241 L N 1.714 123.090 121.223 0.255 0.000 2.264 241 L HA 0.430 4.774 4.340 0.008 0.000 0.289 241 L C 0.508 177.306 176.870 -0.121 0.000 1.044 241 L CA -0.186 54.684 54.840 0.049 0.000 0.807 241 L CB 1.368 43.405 42.059 -0.038 0.000 1.192 241 L HN 0.825 nan 8.230 nan 0.000 0.425 242 Q N 2.370 121.974 119.800 -0.326 0.000 2.243 242 Q HA 0.358 4.702 4.340 0.008 0.000 0.252 242 Q C -0.883 174.824 176.000 -0.488 0.000 0.909 242 Q CA -0.746 54.584 55.803 -0.789 0.000 0.922 242 Q CB 1.871 30.166 28.738 -0.738 0.000 1.215 242 Q HN 0.428 nan 8.270 nan 0.000 0.427 243 V N 4.538 124.121 119.914 -0.552 0.000 2.521 243 V HA 0.003 4.127 4.120 0.008 0.000 0.286 243 V C 0.064 175.943 176.094 -0.359 0.000 1.034 243 V CA -0.515 61.484 62.300 -0.501 0.000 1.045 243 V CB 0.597 31.984 31.823 -0.727 0.000 0.974 243 V HN 0.768 nan 8.190 nan 0.000 0.480 244 N N 4.082 122.651 118.700 -0.218 0.000 2.411 244 N HA 0.151 4.896 4.740 0.008 0.000 0.265 244 N C 1.271 176.702 175.510 -0.131 0.000 1.266 244 N CA 1.184 54.161 53.050 -0.122 0.000 0.889 244 N CB 0.527 39.004 38.487 -0.017 0.000 1.069 244 N HN 1.116 nan 8.380 nan 0.000 0.476 245 G N 1.530 110.261 108.800 -0.115 0.000 2.155 245 G HA2 -0.323 3.642 3.960 0.008 0.000 0.257 245 G HA3 -0.323 3.642 3.960 0.008 0.000 0.257 245 G C 0.023 174.834 174.900 -0.150 0.000 0.983 245 G CA 0.192 45.229 45.100 -0.105 0.000 0.676 245 G HN 0.625 nan 8.290 nan 0.000 0.528 246 R N -1.212 119.173 120.500 -0.191 0.000 2.854 246 R HA 0.488 4.833 4.340 0.008 0.000 0.271 246 R C -0.655 175.556 176.300 -0.149 0.000 0.996 246 R CA -1.103 54.877 56.100 -0.199 0.000 0.961 246 R CB 0.797 30.971 30.300 -0.209 0.000 1.182 246 R HN 0.164 nan 8.270 nan 0.000 0.479 247 H N 1.332 120.335 119.070 -0.113 0.000 2.966 247 H HA 0.196 4.756 4.556 0.007 0.000 0.217 247 H C -0.504 174.773 175.328 -0.085 0.000 1.906 247 H CA 0.277 56.269 56.048 -0.095 0.000 1.351 247 H CB -0.400 29.485 29.762 0.205 0.000 1.722 247 H HN 0.375 nan 8.280 nan 0.000 0.562 248 E N 0.737 120.842 120.200 -0.158 0.000 2.340 248 E HA 0.370 4.725 4.350 0.008 0.000 0.273 248 E C -1.356 175.058 176.600 -0.310 0.000 0.891 248 E CA -0.782 55.557 56.400 -0.101 0.000 0.757 248 E CB 1.955 31.561 29.700 -0.157 0.000 1.231 248 E HN 0.184 nan 8.360 nan 0.000 0.439 249 Y N 1.557 121.818 120.300 -0.064 0.000 2.504 249 Y HA 0.420 4.975 4.550 0.007 0.000 0.344 249 Y C -0.922 174.934 175.900 -0.073 0.000 1.023 249 Y CA -0.766 57.341 58.100 0.012 0.000 1.020 249 Y CB 1.578 40.191 38.460 0.256 0.000 1.282 249 Y HN 0.378 nan 8.280 nan 0.000 0.454 250 L N 4.975 126.195 121.223 -0.006 0.000 2.305 250 L HA 0.574 4.919 4.340 0.008 0.000 0.284 250 L C -1.067 175.824 176.870 0.035 0.000 1.013 250 L CA -0.587 54.027 54.840 -0.376 0.000 0.819 250 L CB 0.522 42.180 42.059 -0.669 0.000 1.227 250 L HN 0.628 nan 8.230 nan 0.000 0.417 251 Y N 1.190 121.547 120.300 0.095 0.000 2.818 251 Y HA 0.884 5.439 4.550 0.008 0.000 0.341 251 Y C 0.007 176.189 175.900 0.471 0.000 1.283 251 Y CA -1.128 57.120 58.100 0.248 0.000 1.075 251 Y CB 0.961 39.555 38.460 0.223 0.000 1.370 251 Y HN 0.816 nan 8.280 nan 0.000 0.448 252 G N 0.972 110.076 108.800 0.506 0.000 2.497 252 G HA2 -0.033 3.931 3.960 0.008 0.000 0.686 252 G HA3 -0.033 3.931 3.960 0.008 0.000 0.686 252 G C -1.726 173.175 174.900 0.002 0.000 1.288 252 G CA -0.686 44.607 45.100 0.321 0.000 0.899 252 G HN 1.075 nan 8.290 nan 0.000 0.608 253 N N 0.507 118.897 118.700 -0.515 0.000 3.298 253 N HA 0.522 5.266 4.740 0.008 0.000 0.292 253 N C -1.062 173.997 175.510 -0.752 0.000 1.271 253 N CA -0.079 52.676 53.050 -0.493 0.000 1.184 253 N CB -0.549 37.702 38.487 -0.394 0.000 1.452 253 N HN 0.482 nan 8.380 nan 0.000 0.534 254 Y N -0.399 119.862 120.300 -0.065 0.000 2.524 254 Y HA 0.489 5.043 4.550 0.008 0.000 0.347 254 Y C -2.250 173.515 175.900 -0.225 0.000 1.005 254 Y CA -2.600 55.333 58.100 -0.278 0.000 1.025 254 Y CB 1.481 39.620 38.460 -0.536 0.000 1.275 254 Y HN 0.189 nan 8.280 nan 0.000 0.460 255 P HA 0.203 nan 4.420 nan 0.000 0.275 255 P C 0.657 178.010 177.300 0.088 0.000 1.227 255 P CA -0.150 62.878 63.100 -0.120 0.000 0.781 255 P CB 0.900 32.435 31.700 -0.275 0.000 0.906 256 L N 2.478 123.848 121.223 0.245 0.000 2.051 256 L HA -0.302 4.043 4.340 0.008 0.000 0.214 256 L C 2.403 179.486 176.870 0.356 0.000 1.076 256 L CA 2.110 57.201 54.840 0.418 0.000 0.758 256 L CB -1.085 41.108 42.059 0.223 0.000 0.890 256 L HN 0.528 nan 8.230 nan 0.000 0.433 257 C N -2.317 117.108 119.300 0.208 0.000 2.419 257 C HA -0.147 4.317 4.460 0.008 0.000 0.281 257 C C 2.410 177.512 174.990 0.186 0.000 1.336 257 C CA 0.274 59.395 59.018 0.173 0.000 1.770 257 C CB -1.718 26.102 27.740 0.134 0.000 1.929 257 C HN 0.498 nan 8.230 nan 0.000 0.509 258 H N -0.480 118.560 119.070 -0.051 0.000 2.456 258 H HA 0.037 4.598 4.556 0.008 0.000 0.296 258 H C 0.101 175.267 175.328 -0.270 0.000 1.079 258 H CA 0.740 56.667 56.048 -0.202 0.000 1.322 258 H CB -0.204 29.363 29.762 -0.326 0.000 1.388 258 H HN 0.469 nan 8.280 nan 0.000 0.538 259 F N 1.791 121.797 119.950 0.093 0.000 2.506 259 F HA -0.008 4.524 4.527 0.008 0.000 0.371 259 F C 1.640 177.471 175.800 0.052 0.000 1.078 259 F CA -0.015 58.006 58.000 0.036 0.000 1.195 259 F CB 0.739 39.778 39.000 0.066 0.000 1.099 259 F HN 0.013 nan 8.300 nan 0.000 0.548 260 Q N 2.012 121.928 119.800 0.194 0.000 2.197 260 Q HA -0.312 4.033 4.340 0.008 0.000 0.211 260 Q C 1.642 177.761 176.000 0.198 0.000 0.993 260 Q CA 2.223 58.116 55.803 0.150 0.000 0.883 260 Q CB -0.360 28.446 28.738 0.114 0.000 0.916 260 Q HN 0.845 nan 8.270 nan 0.000 0.418 261 Y N 0.669 121.039 120.300 0.116 0.000 2.153 261 Y HA -0.196 4.359 4.550 0.009 0.000 0.289 261 Y C 1.921 177.877 175.900 0.094 0.000 1.127 261 Y CA 1.089 59.238 58.100 0.082 0.000 1.131 261 Y CB -0.130 38.353 38.460 0.039 0.000 0.995 261 Y HN 0.016 nan 8.280 nan 0.000 0.505 262 I N -0.501 120.097 120.570 0.046 0.000 2.208 262 I HA -0.354 3.821 4.170 0.008 0.000 0.245 262 I C 2.866 178.957 176.117 -0.044 0.000 1.097 262 I CA 1.264 62.533 61.300 -0.051 0.000 1.363 262 I CB -1.881 36.197 38.000 0.130 0.000 1.051 262 I HN 0.425 nan 8.210 nan 0.000 0.413 263 C N 0.230 119.558 119.300 0.047 0.000 2.393 263 C HA -0.224 4.241 4.460 0.008 0.000 0.276 263 C C 3.468 178.492 174.990 0.057 0.000 1.215 263 C CA 1.903 60.953 59.018 0.053 0.000 1.743 263 C CB -0.900 26.893 27.740 0.088 0.000 2.044 263 C HN 0.620 nan 8.230 nan 0.000 0.464 264 S N -0.938 114.792 115.700 0.050 0.000 2.359 264 S HA -0.234 4.241 4.470 0.008 0.000 0.223 264 S C 1.967 176.565 174.600 -0.004 0.000 1.039 264 S CA 2.273 60.509 58.200 0.061 0.000 1.042 264 S CB -0.796 62.435 63.200 0.052 0.000 0.915 264 S HN 0.769 nan 8.310 nan 0.000 0.439 265 C N 1.187 120.385 119.300 -0.170 0.000 2.391 265 C HA -0.109 4.356 4.460 0.008 0.000 0.276 265 C C 2.554 177.492 174.990 -0.086 0.000 1.217 265 C CA 1.172 60.077 59.018 -0.189 0.000 1.766 265 C CB -1.759 25.766 27.740 -0.357 0.000 2.046 265 C HN 0.631 nan 8.230 nan 0.000 0.475 266 L N -0.848 120.318 121.223 -0.094 0.000 2.191 266 L HA -0.171 4.173 4.340 0.008 0.000 0.212 266 L C 2.711 179.491 176.870 -0.149 0.000 1.103 266 L CA 1.251 56.018 54.840 -0.121 0.000 0.769 266 L CB -0.757 41.206 42.059 -0.159 0.000 0.908 266 L HN 0.534 nan 8.230 nan 0.000 0.438 267 H N -0.477 118.590 119.070 -0.005 0.000 2.287 267 H HA -0.009 4.552 4.556 0.008 0.000 0.309 267 H C 2.465 177.802 175.328 0.016 0.000 1.059 267 H CA 1.762 57.818 56.048 0.014 0.000 1.357 267 H CB -0.249 29.528 29.762 0.025 0.000 1.409 267 H HN 0.312 nan 8.280 nan 0.000 0.515 268 S N -0.242 115.549 115.700 0.151 0.000 2.595 268 S HA 0.065 4.540 4.470 0.008 0.000 0.235 268 S C 1.736 176.365 174.600 0.048 0.000 0.974 268 S CA 0.872 59.126 58.200 0.090 0.000 0.942 268 S CB -0.126 63.124 63.200 0.083 0.000 0.766 268 S HN 0.733 nan 8.310 nan 0.000 0.536 269 G N 0.403 109.223 108.800 0.032 0.000 2.317 269 G HA2 -0.250 3.714 3.960 0.008 0.000 0.227 269 G HA3 -0.250 3.714 3.960 0.008 0.000 0.227 269 G C 0.004 174.908 174.900 0.006 0.000 1.042 269 G CA 0.005 45.112 45.100 0.012 0.000 0.623 269 G HN 0.491 nan 8.290 nan 0.000 0.509 270 L N 1.781 123.011 121.223 0.010 0.000 2.483 270 L HA 0.414 4.759 4.340 0.008 0.000 0.277 270 L C 1.307 178.195 176.870 0.030 0.000 1.248 270 L CA 0.923 55.779 54.840 0.026 0.000 0.825 270 L CB 0.264 42.343 42.059 0.032 0.000 1.096 270 L HN 0.152 nan 8.230 nan 0.000 0.512 271 T N 3.124 117.736 114.554 0.098 0.000 2.794 271 T HA 0.243 4.598 4.350 0.008 0.000 0.296 271 T C -2.286 172.540 174.700 0.209 0.000 0.949 271 T CA -0.904 61.269 62.100 0.123 0.000 1.101 271 T CB 0.766 69.727 68.868 0.155 0.000 0.905 271 T HN 0.318 nan 8.240 nan 0.000 0.516 272 P HA 0.056 nan 4.420 nan 0.000 0.266 272 P C -0.486 176.937 177.300 0.205 0.000 1.195 272 P CA 0.135 63.314 63.100 0.131 0.000 0.768 272 P CB 0.329 32.060 31.700 0.051 0.000 0.838 273 H N 2.706 121.939 119.070 0.272 0.000 2.970 273 H HA 0.395 4.956 4.556 0.008 0.000 0.315 273 H C -0.521 174.836 175.328 0.048 0.000 0.992 273 H CA -0.432 55.694 56.048 0.132 0.000 1.363 273 H CB 0.884 30.706 29.762 0.100 0.000 1.532 273 H HN 0.258 nan 8.280 nan 0.000 0.514 274 L N 2.367 123.613 121.223 0.040 0.000 2.370 274 L HA 0.456 4.801 4.340 0.008 0.000 0.266 274 L C -0.013 176.815 176.870 -0.071 0.000 1.002 274 L CA -0.819 53.995 54.840 -0.044 0.000 0.818 274 L CB 2.491 44.520 42.059 -0.050 0.000 1.325 274 L HN 0.419 nan 8.230 nan 0.000 0.418 275 T N 2.123 116.611 114.554 -0.110 0.000 2.823 275 T HA 0.450 4.805 4.350 0.008 0.000 0.279 275 T C -0.006 174.621 174.700 -0.122 0.000 0.998 275 T CA -0.646 61.391 62.100 -0.105 0.000 0.994 275 T CB 1.595 70.429 68.868 -0.057 0.000 0.960 275 T HN 0.318 nan 8.240 nan 0.000 0.448 276 M N 3.687 123.144 119.600 -0.238 0.000 2.350 276 M HA 0.200 4.685 4.480 0.008 0.000 0.338 276 M C -0.641 175.749 176.300 0.151 0.000 1.559 276 M CA -0.097 55.064 55.300 -0.231 0.000 1.217 276 M CB -0.105 31.934 32.600 -0.935 0.000 1.808 276 M HN 0.336 nan 8.290 nan 0.000 0.458 277 V N 4.198 124.299 119.914 0.312 0.000 2.370 277 V HA 0.179 4.304 4.120 0.008 0.000 0.283 277 V C 0.140 176.375 176.094 0.236 0.000 1.023 277 V CA -0.800 61.687 62.300 0.313 0.000 0.857 277 V CB 1.130 33.115 31.823 0.270 0.000 0.985 277 V HN 0.724 nan 8.190 nan 0.000 0.443 278 H N 3.369 122.374 119.070 -0.107 0.000 2.679 278 H HA 0.155 4.716 4.556 0.007 0.000 0.369 278 H C 1.478 176.420 175.328 -0.644 0.000 1.178 278 H CA 0.576 56.181 56.048 -0.738 0.000 1.419 278 H CB 1.438 30.878 29.762 -0.535 0.000 1.458 278 H HN 0.688 nan 8.280 nan 0.000 0.605 279 S N 1.002 115.648 115.700 -1.757 0.000 2.406 279 S HA -0.192 4.283 4.470 0.008 0.000 0.228 279 S C 2.152 176.111 174.600 -1.068 0.000 1.020 279 S CA 0.823 57.977 58.200 -1.743 0.000 0.965 279 S CB -0.565 61.148 63.200 -2.478 0.000 0.798 279 S HN 0.665 nan 8.310 nan 0.000 0.488 280 S N 1.815 116.989 115.700 -0.877 0.000 2.453 280 S HA -0.049 4.426 4.470 0.008 0.000 0.231 280 S C 1.937 176.421 174.600 -0.193 0.000 1.005 280 S CA 1.030 59.035 58.200 -0.325 0.000 0.949 280 S CB -0.673 62.504 63.200 -0.038 0.000 0.774 280 S HN 0.558 nan 8.310 nan 0.000 0.510 281 S N 1.494 117.096 115.700 -0.163 0.000 2.371 281 S HA 0.041 4.515 4.470 0.008 0.000 0.224 281 S C 1.767 176.305 174.600 -0.103 0.000 1.029 281 S CA 0.904 59.058 58.200 -0.076 0.000 0.978 281 S CB -0.625 62.577 63.200 0.004 0.000 0.833 281 S HN 0.603 nan 8.310 nan 0.000 0.466 282 I N 1.332 121.798 120.570 -0.173 0.000 2.163 282 I HA -0.126 4.049 4.170 0.008 0.000 0.240 282 I C 2.369 178.341 176.117 -0.242 0.000 1.081 282 I CA 1.110 62.338 61.300 -0.120 0.000 1.353 282 I CB -0.422 37.549 38.000 -0.049 0.000 1.054 282 I HN 0.278 nan 8.210 nan 0.000 0.407 283 L N 0.614 121.672 121.223 -0.274 0.000 2.129 283 L HA -0.282 4.063 4.340 0.008 0.000 0.212 283 L C 2.779 179.465 176.870 -0.307 0.000 1.087 283 L CA 1.370 56.031 54.840 -0.299 0.000 0.757 283 L CB -0.716 41.207 42.059 -0.227 0.000 0.896 283 L HN 0.315 nan 8.230 nan 0.000 0.434 284 A N -0.244 122.442 122.820 -0.224 0.000 1.933 284 A HA -0.213 4.112 4.320 0.008 0.000 0.218 284 A C 2.276 179.744 177.584 -0.193 0.000 1.175 284 A CA 1.648 53.581 52.037 -0.172 0.000 0.628 284 A CB -0.363 18.574 19.000 -0.105 0.000 0.814 284 A HN 0.391 nan 8.150 nan 0.000 0.444 285 M N -1.333 118.140 119.600 -0.212 0.000 2.156 285 M HA -0.087 4.398 4.480 0.008 0.000 0.264 285 M C 2.391 178.422 176.300 -0.449 0.000 1.067 285 M CA 1.720 56.905 55.300 -0.192 0.000 1.131 285 M CB -0.430 32.154 32.600 -0.025 0.000 1.368 285 M HN 0.463 nan 8.290 nan 0.000 0.416 286 R N 0.964 120.931 120.500 -0.887 0.000 2.081 286 R HA -0.172 4.173 4.340 0.008 0.000 0.235 286 R C 1.361 177.262 176.300 -0.666 0.000 1.131 286 R CA 2.078 57.347 56.100 -1.386 0.000 0.960 286 R CB -0.208 29.154 30.300 -1.563 0.000 0.856 286 R HN 0.261 nan 8.270 nan 0.000 0.436 287 D N 0.667 120.805 120.400 -0.437 0.000 2.116 287 D HA -0.223 4.422 4.640 0.008 0.000 0.193 287 D C 1.767 177.949 176.300 -0.196 0.000 0.998 287 D CA 1.945 55.787 54.000 -0.262 0.000 0.836 287 D CB -0.236 40.448 40.800 -0.192 0.000 0.951 287 D HN 0.581 nan 8.370 nan 0.000 0.449 288 E N 0.403 120.496 120.200 -0.178 0.000 2.333 288 E HA -0.187 4.168 4.350 0.008 0.000 0.198 288 E C 1.053 177.609 176.600 -0.074 0.000 1.007 288 E CA 0.716 57.062 56.400 -0.090 0.000 0.845 288 E CB -0.327 29.351 29.700 -0.036 0.000 0.766 288 E HN 0.390 nan 8.360 nan 0.000 0.507 289 Q N 1.634 121.319 119.800 -0.192 0.000 2.222 289 Q HA 0.091 4.436 4.340 0.008 0.000 0.206 289 Q C 0.038 176.013 176.000 -0.042 0.000 0.877 289 Q CA -0.019 55.666 55.803 -0.197 0.000 0.958 289 Q CB 0.763 29.287 28.738 -0.356 0.000 1.075 289 Q HN 0.249 nan 8.270 nan 0.000 0.483 290 S N -0.015 115.653 115.700 -0.054 0.000 2.579 290 S HA 0.118 4.592 4.470 0.008 0.000 0.275 290 S C 0.181 174.779 174.600 -0.002 0.000 1.345 290 S CA -0.557 57.617 58.200 -0.042 0.000 1.031 290 S CB 1.084 64.248 63.200 -0.060 0.000 0.892 290 S HN 0.229 nan 8.310 nan 0.000 0.529 317 W N 1.244 122.468 121.300 -0.126 0.000 2.374 317 W HA -0.041 4.624 4.660 0.008 0.000 0.288 317 W C 1.565 178.018 176.519 -0.111 0.000 1.218 317 W CA 1.812 59.050 57.345 -0.178 0.000 1.245 317 W CB -1.527 27.814 29.460 -0.197 0.000 1.126 317 W HN 0.541 nan 8.180 nan 0.000 0.545 318 S N 2.174 117.600 115.700 -0.457 0.000 2.365 318 S HA -0.202 4.273 4.470 0.008 0.000 0.221 318 S C 1.243 175.571 174.600 -0.454 0.000 1.037 318 S CA 1.672 59.485 58.200 -0.645 0.000 1.060 318 S CB -1.186 61.899 63.200 -0.192 0.000 0.974 318 S HN 0.280 nan 8.310 nan 0.000 0.427 319 L N 2.386 123.482 121.223 -0.212 0.000 2.780 319 L HA 0.048 4.393 4.340 0.008 0.000 0.275 319 L C 1.229 178.030 176.870 -0.115 0.000 1.153 319 L CA 0.390 55.161 54.840 -0.115 0.000 0.993 319 L CB -0.240 41.808 42.059 -0.019 0.000 1.319 319 L HN 0.209 nan 8.230 nan 0.000 0.479 320 E N 1.575 121.703 120.200 -0.119 0.000 2.389 320 E HA -0.030 4.325 4.350 0.008 0.000 0.199 320 E C 0.866 177.456 176.600 -0.017 0.000 0.978 320 E CA -0.197 56.153 56.400 -0.083 0.000 0.912 320 E CB 0.465 30.090 29.700 -0.125 0.000 0.907 320 E HN 0.801 nan 8.360 nan 0.000 0.494 321 Q N 1.766 121.559 119.800 -0.011 0.000 2.524 321 Q HA 0.125 4.470 4.340 0.008 0.000 0.246 321 Q C -2.486 173.545 176.000 0.052 0.000 1.063 321 Q CA -1.637 54.172 55.803 0.011 0.000 0.945 321 Q CB -0.538 28.199 28.738 -0.001 0.000 1.292 321 Q HN -0.183 nan 8.270 nan 0.000 0.518 322 P HA -0.017 nan 4.420 nan 0.000 0.267 322 P C -0.799 176.599 177.300 0.163 0.000 1.201 322 P CA 0.052 63.218 63.100 0.111 0.000 0.775 322 P CB 0.131 31.876 31.700 0.074 0.000 0.854 323 F N 1.994 122.016 119.950 0.120 0.000 2.380 323 F HA 0.487 5.018 4.527 0.008 0.000 0.325 323 F C 0.044 176.025 175.800 0.302 0.000 1.136 323 F CA 0.626 58.711 58.000 0.142 0.000 1.171 323 F CB 0.757 39.796 39.000 0.065 0.000 1.230 323 F HN 0.439 nan 8.300 nan 0.000 0.554 324 S N 4.915 120.199 115.700 -0.692 0.000 2.604 324 S HA 0.483 4.958 4.470 0.008 0.000 0.296 324 S C -1.062 173.299 174.600 -0.399 0.000 1.097 324 S CA -1.036 57.067 58.200 -0.162 0.000 0.883 324 S CB -0.179 62.969 63.200 -0.087 0.000 1.081 324 S HN 0.884 nan 8.310 nan 0.000 0.448 325 I N -0.225 120.372 120.570 0.045 0.000 2.783 325 I HA 0.707 4.882 4.170 0.008 0.000 0.312 325 I C 0.271 176.431 176.117 0.072 0.000 0.988 325 I CA -0.782 60.567 61.300 0.081 0.000 1.182 325 I CB 0.865 39.048 38.000 0.305 0.000 1.368 325 I HN 0.829 nan 8.210 nan 0.000 0.511 326 E N 2.632 122.892 120.200 0.099 0.000 2.197 326 E HA 0.352 4.707 4.350 0.008 0.000 0.281 326 E C -1.486 175.158 176.600 0.072 0.000 0.995 326 E CA -0.953 55.490 56.400 0.071 0.000 0.808 326 E CB 1.839 31.572 29.700 0.053 0.000 1.093 326 E HN 0.601 nan 8.360 nan 0.000 0.394 327 L N 6.396 127.633 121.223 0.023 0.000 2.259 327 L HA 0.278 4.622 4.340 0.008 0.000 0.288 327 L C 0.067 176.995 176.870 0.095 0.000 1.051 327 L CA 0.230 55.045 54.840 -0.040 0.000 0.824 327 L CB 0.441 42.364 42.059 -0.226 0.000 1.206 327 L HN 0.732 nan 8.230 nan 0.000 0.429 328 I N 3.062 123.696 120.570 0.107 0.000 2.244 328 I HA 0.069 4.243 4.170 0.008 0.000 0.231 328 I C 0.550 176.838 176.117 0.285 0.000 1.065 328 I CA 0.786 62.177 61.300 0.152 0.000 1.358 328 I CB -0.005 38.053 38.000 0.096 0.000 1.130 328 I HN 0.734 nan 8.210 nan 0.000 0.411 329 E N -0.689 119.672 120.200 0.268 0.000 2.449 329 E HA 0.653 5.008 4.350 0.008 0.000 0.278 329 E C -0.841 175.940 176.600 0.301 0.000 1.059 329 E CA -1.068 55.518 56.400 0.310 0.000 0.854 329 E CB 1.546 31.296 29.700 0.083 0.000 1.465 329 E HN 0.172 nan 8.360 nan 0.000 0.462 330 G N -0.243 108.712 108.800 0.258 0.000 2.866 330 G HA2 0.630 4.595 3.960 0.008 0.000 0.289 330 G HA3 0.630 4.595 3.960 0.008 0.000 0.289 330 G C -1.230 173.694 174.900 0.040 0.000 1.396 330 G CA -1.099 44.088 45.100 0.144 0.000 0.848 330 G HN 0.518 nan 8.290 nan 0.000 0.515 331 R N 0.264 120.774 120.500 0.017 0.000 2.734 331 R HA 0.254 4.599 4.340 0.008 0.000 0.242 331 R C -0.665 175.638 176.300 0.004 0.000 1.617 331 R CA -0.665 55.435 56.100 0.001 0.000 1.572 331 R CB 0.408 30.706 30.300 -0.004 0.000 1.477 331 R HN 0.508 nan 8.270 nan 0.000 0.707 332 K N 0.222 120.629 120.400 0.011 0.000 3.554 332 K HA 0.596 4.921 4.320 0.008 0.000 0.183 332 K C 0.079 176.685 176.600 0.010 0.000 1.147 332 K CA -0.717 55.578 56.287 0.014 0.000 1.595 332 K CB 0.357 32.877 32.500 0.033 0.000 2.206 332 K HN 0.009 nan 8.250 nan 0.000 0.543 333 V N 0.544 120.468 119.914 0.016 0.000 2.874 333 V HA 0.253 4.378 4.120 0.008 0.000 0.251 333 V C -1.704 174.405 176.094 0.024 0.000 1.750 333 V CA -0.336 61.973 62.300 0.014 0.000 0.858 333 V CB 1.300 33.129 31.823 0.010 0.000 1.228 333 V HN 0.834 nan 8.190 nan 0.000 0.487 334 N N 3.311 122.025 118.700 0.022 0.000 3.587 334 N HA 0.893 5.638 4.740 0.008 0.000 0.368 334 N C -0.896 174.629 175.510 0.026 0.000 1.440 334 N CA 0.408 53.477 53.050 0.030 0.000 0.808 334 N CB 1.329 39.843 38.487 0.046 0.000 2.556 334 N HN 0.991 nan 8.380 nan 0.000 0.490 340 K N 2.307 122.742 120.400 0.058 0.000 2.185 340 K HA 0.886 5.210 4.320 0.008 0.000 0.240 340 K C -1.348 175.314 176.600 0.104 0.000 0.983 340 K CA -0.362 55.966 56.287 0.068 0.000 0.873 340 K CB 1.692 34.233 32.500 0.068 0.000 1.118 340 K HN 0.534 nan 8.250 nan 0.000 0.441 341 L N 0.887 122.179 121.223 0.114 0.000 2.362 341 L HA 0.684 5.029 4.340 0.008 0.000 0.271 341 L C -0.996 175.994 176.870 0.201 0.000 1.002 341 L CA -1.110 53.823 54.840 0.156 0.000 0.818 341 L CB 1.960 44.104 42.059 0.141 0.000 1.298 341 L HN 0.230 nan 8.230 nan 0.000 0.420 342 V N 2.467 122.480 119.914 0.166 0.000 3.007 342 V HA 0.535 4.660 4.120 0.008 0.000 0.311 342 V C -0.603 175.372 176.094 -0.199 0.000 1.120 342 V CA -0.642 61.727 62.300 0.115 0.000 0.980 342 V CB 3.113 35.066 31.823 0.218 0.000 1.033 342 V HN 0.398 nan 8.190 nan 0.000 0.429 343 V N 3.038 122.837 119.914 -0.192 0.000 2.547 343 V HA 0.561 4.686 4.120 0.008 0.000 0.299 343 V C -0.310 175.701 176.094 -0.138 0.000 1.040 343 V CA -0.489 61.625 62.300 -0.310 0.000 0.913 343 V CB 1.679 33.252 31.823 -0.416 0.000 0.992 343 V HN 0.903 nan 8.190 nan 0.000 0.449 344 Q N 1.626 121.394 119.800 -0.053 0.000 2.387 344 Q HA 0.826 5.171 4.340 0.008 0.000 0.273 344 Q C -1.125 174.986 176.000 0.185 0.000 1.089 344 Q CA -0.685 55.198 55.803 0.133 0.000 0.824 344 Q CB 2.396 31.306 28.738 0.286 0.000 1.367 344 Q HN 0.951 nan 8.270 nan 0.000 0.443 345 A N 1.122 124.056 122.820 0.191 0.000 2.486 345 A HA 0.894 5.219 4.320 0.008 0.000 0.300 345 A C -1.041 176.693 177.584 0.250 0.000 1.048 345 A CA -0.128 52.010 52.037 0.168 0.000 0.696 345 A CB 1.987 21.143 19.000 0.259 0.000 1.278 345 A HN 0.712 nan 8.150 nan 0.000 0.405 346 G N 0.244 109.153 108.800 0.180 0.000 2.667 346 G HA2 0.572 4.537 3.960 0.008 0.000 0.298 346 G HA3 0.572 4.537 3.960 0.008 0.000 0.298 346 G C -1.347 173.522 174.900 -0.052 0.000 1.377 346 G CA -0.614 44.562 45.100 0.127 0.000 0.964 346 G HN 0.679 nan 8.290 nan 0.000 0.493 347 L N 1.309 122.381 121.223 -0.252 0.000 2.257 347 L HA 0.486 4.831 4.340 0.008 0.000 0.290 347 L C -0.875 175.780 176.870 -0.358 0.000 1.044 347 L CA -0.462 54.189 54.840 -0.314 0.000 0.810 347 L CB 0.776 42.606 42.059 -0.382 0.000 1.193 347 L HN 0.341 nan 8.230 nan 0.000 0.425 348 F N 0.968 120.835 119.950 -0.138 0.000 2.495 348 F HA 0.269 4.801 4.527 0.008 0.000 0.327 348 F C 0.284 176.027 175.800 -0.095 0.000 1.103 348 F CA -0.637 57.301 58.000 -0.102 0.000 0.949 348 F CB 1.361 40.303 39.000 -0.096 0.000 1.142 348 F HN 0.377 nan 8.300 nan 0.000 0.457 349 H N 2.359 121.390 119.070 -0.066 0.000 2.556 349 H HA 0.504 5.065 4.556 0.008 0.000 0.240 349 H C 0.461 175.555 175.328 -0.391 0.000 1.543 349 H CA 0.421 56.333 56.048 -0.226 0.000 1.287 349 H CB -0.190 29.420 29.762 -0.253 0.000 1.529 349 H HN 0.812 nan 8.280 nan 0.000 0.553 350 G N 3.287 111.714 108.800 -0.623 0.000 2.523 350 G HA2 -0.423 3.542 3.960 0.008 0.000 0.271 350 G HA3 -0.423 3.542 3.960 0.008 0.000 0.271 350 G C 1.138 175.684 174.900 -0.591 0.000 1.146 350 G CA 0.249 44.593 45.100 -1.260 0.000 0.961 350 G HN 0.523 nan 8.290 nan 0.000 0.549 351 N N 1.703 120.087 118.700 -0.527 0.000 2.084 351 N HA 0.006 4.751 4.740 0.008 0.000 0.190 351 N C 0.908 176.482 175.510 0.107 0.000 1.030 351 N CA 1.660 54.645 53.050 -0.109 0.000 0.849 351 N CB -0.284 38.112 38.487 -0.151 0.000 1.012 351 N HN 0.603 nan 8.380 nan 0.000 0.423 352 E N 0.403 120.615 120.200 0.019 0.000 2.301 352 E HA 0.239 4.594 4.350 0.008 0.000 0.275 352 E C 0.078 176.636 176.600 -0.069 0.000 1.030 352 E CA -0.166 56.251 56.400 0.028 0.000 0.852 352 E CB 0.839 30.528 29.700 -0.019 0.000 1.060 352 E HN 0.117 nan 8.360 nan 0.000 0.401 353 M N 3.203 122.643 119.600 -0.267 0.000 2.239 353 M HA 0.053 4.538 4.480 0.008 0.000 0.348 353 M C 0.565 176.695 176.300 -0.283 0.000 1.239 353 M CA 0.211 55.169 55.300 -0.571 0.000 1.114 353 M CB 0.407 32.716 32.600 -0.485 0.000 1.641 353 M HN 0.427 nan 8.290 nan 0.000 0.453 354 L N 2.992 124.052 121.223 -0.273 0.000 2.591 354 L HA 0.111 4.456 4.340 0.008 0.000 0.228 354 L C 0.187 176.997 176.870 -0.099 0.000 1.133 354 L CA -0.237 54.523 54.840 -0.133 0.000 0.880 354 L CB -0.469 41.527 42.059 -0.105 0.000 1.033 354 L HN 0.938 nan 8.230 nan 0.000 0.450 355 C N -3.913 115.316 119.300 -0.119 0.000 3.034 355 C HA 0.250 4.715 4.460 0.008 0.000 0.336 355 C C -0.578 174.376 174.990 -0.060 0.000 1.304 355 C CA -1.813 57.175 59.018 -0.049 0.000 1.197 355 C CB 0.978 28.734 27.740 0.027 0.000 1.373 355 C HN 0.198 nan 8.230 nan 0.000 0.459 356 K N 1.404 121.790 120.400 -0.022 0.000 2.440 356 K HA 0.378 4.702 4.320 0.008 0.000 0.270 356 K C 0.383 176.990 176.600 0.011 0.000 0.980 356 K CA 1.288 57.565 56.287 -0.017 0.000 0.953 356 K CB 0.297 32.793 32.500 -0.006 0.000 0.925 356 K HN 1.232 nan 8.250 nan 0.000 0.497 357 T N -1.424 113.139 114.554 0.016 0.000 2.726 357 T HA 0.402 4.757 4.350 0.008 0.000 0.294 357 T C 0.466 175.194 174.700 0.048 0.000 1.013 357 T CA -0.377 61.763 62.100 0.068 0.000 0.996 357 T CB 0.786 69.711 68.868 0.096 0.000 1.016 357 T HN 0.681 nan 8.240 nan 0.000 0.529 358 V N -2.066 117.874 119.914 0.044 0.000 2.888 358 V HA 0.770 4.895 4.120 0.008 0.000 0.309 358 V C -0.395 175.699 176.094 -0.001 0.000 1.114 358 V CA -0.988 61.292 62.300 -0.033 0.000 0.940 358 V CB 1.636 33.346 31.823 -0.188 0.000 1.021 358 V HN 1.056 nan 8.190 nan 0.000 0.426 359 S N 1.665 117.371 115.700 0.010 0.000 2.718 359 S HA 0.729 5.204 4.470 0.008 0.000 0.300 359 S C 0.248 174.852 174.600 0.007 0.000 1.117 359 S CA -0.523 57.704 58.200 0.044 0.000 1.002 359 S CB 1.824 65.082 63.200 0.097 0.000 1.092 359 S HN 0.951 nan 8.310 nan 0.000 0.542 360 S N 1.328 117.036 115.700 0.013 0.000 2.661 360 S HA 0.468 4.943 4.470 0.008 0.000 0.265 360 S C 0.122 174.785 174.600 0.106 0.000 1.225 360 S CA -0.721 57.495 58.200 0.027 0.000 0.986 360 S CB 0.586 63.790 63.200 0.006 0.000 1.008 360 S HN 0.798 nan 8.310 nan 0.000 0.565 361 S N 0.653 116.453 115.700 0.166 0.000 2.508 361 S HA 0.366 4.840 4.470 0.008 0.000 0.284 361 S C -0.504 174.203 174.600 0.178 0.000 1.192 361 S CA -0.881 57.407 58.200 0.146 0.000 1.070 361 S CB 0.547 63.818 63.200 0.118 0.000 1.004 361 S HN 0.623 nan 8.310 nan 0.000 0.493 362 E N 1.390 121.668 120.200 0.131 0.000 2.493 362 E HA 0.190 4.544 4.350 0.008 0.000 0.255 362 E C -0.847 175.803 176.600 0.083 0.000 0.999 362 E CA 0.174 56.645 56.400 0.119 0.000 0.934 362 E CB 0.487 30.241 29.700 0.091 0.000 0.940 362 E HN 0.422 nan 8.360 nan 0.000 0.473 363 V N 4.556 124.516 119.914 0.077 0.000 2.709 363 V HA 0.120 4.245 4.120 0.008 0.000 0.308 363 V C 0.059 176.154 176.094 0.000 0.000 1.062 363 V CA -1.244 61.054 62.300 -0.003 0.000 0.901 363 V CB 2.014 33.774 31.823 -0.106 0.000 1.003 363 V HN 0.641 nan 8.190 nan 0.000 0.425 364 N N 2.062 120.750 118.700 -0.020 0.000 2.344 364 N HA 0.004 4.749 4.740 0.008 0.000 0.236 364 N C 1.065 176.563 175.510 -0.019 0.000 1.279 364 N CA -0.182 52.861 53.050 -0.011 0.000 0.882 364 N CB 0.932 39.407 38.487 -0.020 0.000 1.110 364 N HN 0.418 nan 8.380 nan 0.000 0.436 365 V N 0.144 120.058 119.914 0.001 0.000 3.437 365 V HA -0.169 3.956 4.120 0.008 0.000 0.276 365 V C 1.268 177.348 176.094 -0.023 0.000 1.233 365 V CA 0.232 62.534 62.300 0.003 0.000 1.205 365 V CB -1.265 30.570 31.823 0.019 0.000 0.893 365 V HN 0.710 nan 8.190 nan 0.000 0.562 366 C N 1.165 120.435 119.300 -0.050 0.000 2.211 366 C HA 0.253 4.718 4.460 0.008 0.000 0.393 366 C C 1.381 176.314 174.990 -0.096 0.000 1.531 366 C CA 1.260 60.231 59.018 -0.079 0.000 1.465 366 C CB -1.811 25.861 27.740 -0.113 0.000 2.534 366 C HN 0.891 nan 8.230 nan 0.000 0.592 367 S N 1.952 117.606 115.700 -0.078 0.000 4.041 367 S HA -0.128 4.347 4.470 0.008 0.000 0.639 367 S C 0.150 174.718 174.600 -0.054 0.000 1.523 367 S CA 0.723 58.872 58.200 -0.085 0.000 1.696 367 S CB -0.831 62.280 63.200 -0.148 0.000 0.327 367 S HN 1.689 nan 8.310 nan 0.000 1.784 368 E N -0.002 120.171 120.200 -0.046 0.000 2.791 368 E HA -0.160 4.195 4.350 0.008 0.000 0.271 368 E C -1.998 174.533 176.600 -0.115 0.000 1.044 368 E CA 1.326 57.690 56.400 -0.059 0.000 0.814 368 E CB -0.998 28.672 29.700 -0.051 0.000 1.400 368 E HN 0.388 nan 8.360 nan 0.000 0.423 369 P HA 0.161 nan 4.420 nan 0.000 0.271 369 P C -0.384 176.630 177.300 -0.477 0.000 1.244 369 P CA -0.148 62.685 63.100 -0.445 0.000 0.793 369 P CB 0.998 32.265 31.700 -0.722 0.000 0.984 370 V N 0.076 119.578 119.914 -0.687 0.000 2.851 370 V HA 0.275 4.400 4.120 0.008 0.000 0.307 370 V C 0.204 176.005 176.094 -0.488 0.000 1.129 370 V CA -0.368 61.708 62.300 -0.374 0.000 0.932 370 V CB 2.509 34.223 31.823 -0.183 0.000 1.024 370 V HN 0.734 nan 8.190 nan 0.000 0.426 371 W N 0.272 121.549 121.300 -0.038 0.000 2.942 371 W HA 0.210 4.874 4.660 0.008 0.000 0.260 371 W C 0.956 177.456 176.519 -0.032 0.000 1.101 371 W CA -0.488 56.837 57.345 -0.033 0.000 1.436 371 W CB 0.449 29.889 29.460 -0.033 0.000 0.883 371 W HN 0.598 nan 8.180 nan 0.000 0.646 372 K N 2.334 122.858 120.400 0.207 0.000 3.829 372 K HA -0.240 4.084 4.320 0.008 0.000 0.272 372 K C -0.107 176.543 176.600 0.083 0.000 0.783 372 K CA 0.780 57.130 56.287 0.106 0.000 0.588 372 K CB -1.122 31.402 32.500 0.040 0.000 1.798 372 K HN 0.349 nan 8.250 nan 0.000 0.435 373 Q N 0.946 120.813 119.800 0.112 0.000 2.282 373 Q HA 0.274 4.619 4.340 0.008 0.000 0.260 373 Q C -0.162 175.847 176.000 0.015 0.000 0.964 373 Q CA -1.170 54.668 55.803 0.059 0.000 0.880 373 Q CB 1.451 30.236 28.738 0.078 0.000 1.286 373 Q HN 0.094 nan 8.270 nan 0.000 0.445 374 R N 1.760 122.252 120.500 -0.013 0.000 2.590 374 R HA 0.287 4.632 4.340 0.008 0.000 0.274 374 R C -0.495 175.766 176.300 -0.065 0.000 1.061 374 R CA 0.027 56.106 56.100 -0.035 0.000 1.081 374 R CB 0.031 30.301 30.300 -0.049 0.000 0.984 374 R HN 0.564 nan 8.270 nan 0.000 0.448 375 L N 1.940 123.105 121.223 -0.095 0.000 2.343 375 L HA 0.290 4.635 4.340 0.008 0.000 0.278 375 L C 0.207 176.864 176.870 -0.357 0.000 0.996 375 L CA -0.571 54.132 54.840 -0.227 0.000 0.831 375 L CB 1.783 43.702 42.059 -0.233 0.000 1.232 375 L HN 0.547 nan 8.230 nan 0.000 0.413 376 E N 2.968 122.968 120.200 -0.333 0.000 2.229 376 E HA 0.346 4.701 4.350 0.008 0.000 0.283 376 E C -1.319 175.060 176.600 -0.368 0.000 1.030 376 E CA -0.440 55.816 56.400 -0.240 0.000 0.836 376 E CB 0.764 30.392 29.700 -0.121 0.000 1.068 376 E HN 0.236 nan 8.360 nan 0.000 0.401 377 F N 2.784 122.768 119.950 0.057 0.000 2.408 377 F HA 0.141 4.673 4.527 0.008 0.000 0.344 377 F C 0.571 176.413 175.800 0.071 0.000 1.112 377 F CA -0.825 57.233 58.000 0.097 0.000 1.096 377 F CB 1.203 40.334 39.000 0.219 0.000 1.129 377 F HN 0.485 nan 8.300 nan 0.000 0.486 378 D N 4.912 125.427 120.400 0.191 0.000 2.801 378 D HA 0.334 4.979 4.640 0.008 0.000 0.232 378 D C -0.531 175.830 176.300 0.102 0.000 1.128 378 D CA 0.335 54.394 54.000 0.098 0.000 1.003 378 D CB -0.285 40.544 40.800 0.048 0.000 1.110 378 D HN 0.500 nan 8.370 nan 0.000 0.477 379 I N -0.175 120.474 120.570 0.132 0.000 2.793 379 I HA 0.190 4.365 4.170 0.008 0.000 0.295 379 I C -1.651 174.551 176.117 0.140 0.000 1.610 379 I CA -0.651 60.715 61.300 0.110 0.000 0.986 379 I CB 1.678 39.732 38.000 0.090 0.000 1.402 379 I HN 0.057 nan 8.210 nan 0.000 0.500 380 S N 3.398 119.166 115.700 0.113 0.000 2.554 380 S HA 0.380 4.855 4.470 0.008 0.000 0.278 380 S C 0.828 175.516 174.600 0.147 0.000 1.242 380 S CA -0.474 57.797 58.200 0.119 0.000 1.051 380 S CB 1.681 64.939 63.200 0.097 0.000 0.986 380 S HN 0.463 nan 8.310 nan 0.000 0.502 381 V N 4.268 124.276 119.914 0.156 0.000 2.490 381 V HA -0.175 3.950 4.120 0.008 0.000 0.250 381 V C 2.598 178.784 176.094 0.153 0.000 1.061 381 V CA 2.078 64.488 62.300 0.182 0.000 1.064 381 V CB -1.146 30.801 31.823 0.206 0.000 0.670 381 V HN 1.113 nan 8.190 nan 0.000 0.461 382 C N -0.894 118.464 119.300 0.096 0.000 2.449 382 C HA -0.075 4.390 4.460 0.008 0.000 0.283 382 C C 1.994 177.076 174.990 0.153 0.000 1.453 382 C CA 0.290 59.338 59.018 0.050 0.000 1.779 382 C CB -1.216 26.457 27.740 -0.112 0.000 1.779 382 C HN 0.545 nan 8.230 nan 0.000 0.546 383 D N 1.022 121.576 120.400 0.257 0.000 2.240 383 D HA 0.145 4.790 4.640 0.008 0.000 0.206 383 D C 0.911 177.357 176.300 0.243 0.000 0.963 383 D CA 0.265 54.452 54.000 0.312 0.000 0.863 383 D CB -0.194 40.726 40.800 0.201 0.000 0.973 383 D HN 0.536 nan 8.370 nan 0.000 0.501 384 L N 3.796 125.147 121.223 0.214 0.000 2.667 384 L HA -0.017 4.328 4.340 0.008 0.000 0.278 384 L C -1.897 175.207 176.870 0.391 0.000 1.217 384 L CA -0.694 54.275 54.840 0.215 0.000 0.935 384 L CB -0.386 41.765 42.059 0.155 0.000 1.193 384 L HN -0.071 nan 8.230 nan 0.000 0.493 385 P HA 0.098 nan 4.420 nan 0.000 0.276 385 P C 0.207 177.566 177.300 0.099 0.000 1.244 385 P CA -0.720 62.538 63.100 0.262 0.000 0.801 385 P CB 0.776 32.507 31.700 0.051 0.000 1.006 386 R N 1.927 122.110 120.500 -0.528 0.000 2.174 386 R HA -0.133 4.212 4.340 0.008 0.000 0.253 386 R C 1.383 177.497 176.300 -0.311 0.000 1.165 386 R CA 2.074 57.473 56.100 -1.169 0.000 0.984 386 R CB -0.711 28.777 30.300 -1.353 0.000 0.873 386 R HN 0.418 nan 8.270 nan 0.000 0.456 387 M N -0.114 119.466 119.600 -0.034 0.000 2.576 387 M HA 0.365 4.849 4.480 0.008 0.000 0.322 387 M C -0.075 176.286 176.300 0.103 0.000 1.184 387 M CA -0.285 55.045 55.300 0.051 0.000 0.967 387 M CB -0.027 32.530 32.600 -0.071 0.000 1.372 387 M HN 0.109 nan 8.290 nan 0.000 0.509 388 A N 2.404 125.331 122.820 0.178 0.000 2.583 388 A HA 0.059 4.384 4.320 0.008 0.000 0.249 388 A C 0.475 178.056 177.584 -0.006 0.000 1.035 388 A CA 0.654 52.734 52.037 0.072 0.000 0.777 388 A CB -0.201 18.796 19.000 -0.005 0.000 0.942 388 A HN 0.623 nan 8.150 nan 0.000 0.516 389 R N 2.909 123.390 120.500 -0.032 0.000 2.393 389 R HA 0.534 4.878 4.340 0.008 0.000 0.315 389 R C -1.538 174.727 176.300 -0.059 0.000 0.952 389 R CA -0.789 55.290 56.100 -0.035 0.000 0.842 389 R CB 0.944 31.241 30.300 -0.005 0.000 1.163 389 R HN 0.623 nan 8.270 nan 0.000 0.450 390 L N 5.696 126.847 121.223 -0.121 0.000 2.287 390 L HA 0.487 4.832 4.340 0.008 0.000 0.287 390 L C -1.531 175.180 176.870 -0.266 0.000 1.022 390 L CA -0.571 54.126 54.840 -0.238 0.000 0.814 390 L CB 1.135 43.015 42.059 -0.299 0.000 1.217 390 L HN 0.703 nan 8.230 nan 0.000 0.420 391 C N 5.306 124.427 119.300 -0.298 0.000 2.369 391 C HA 0.656 5.121 4.460 0.008 0.000 0.322 391 C C -0.470 174.346 174.990 -0.291 0.000 1.258 391 C CA -0.830 58.079 59.018 -0.183 0.000 1.487 391 C CB 0.487 28.205 27.740 -0.036 0.000 2.165 391 C HN 0.676 nan 8.230 nan 0.000 0.483 392 F N 1.766 121.817 119.950 0.169 0.000 2.480 392 F HA 0.723 5.255 4.527 0.008 0.000 0.329 392 F C 0.475 176.366 175.800 0.153 0.000 1.091 392 F CA -0.404 57.669 58.000 0.121 0.000 0.972 392 F CB 1.361 40.388 39.000 0.046 0.000 1.150 392 F HN 0.708 nan 8.300 nan 0.000 0.467 393 A N 3.365 126.351 122.820 0.276 0.000 2.393 393 A HA 0.828 5.152 4.320 0.008 0.000 0.306 393 A C -1.938 175.572 177.584 -0.123 0.000 1.050 393 A CA -0.667 51.484 52.037 0.191 0.000 0.724 393 A CB 1.590 20.763 19.000 0.289 0.000 1.248 393 A HN 0.857 nan 8.150 nan 0.000 0.424 394 L N 2.861 124.011 121.223 -0.122 0.000 2.381 394 L HA 0.902 5.247 4.340 0.008 0.000 0.274 394 L C -1.564 175.216 176.870 -0.151 0.000 0.988 394 L CA -0.469 54.187 54.840 -0.306 0.000 0.824 394 L CB 1.494 43.490 42.059 -0.105 0.000 1.263 394 L HN 0.812 nan 8.230 nan 0.000 0.410 395 Y N 2.844 123.217 120.300 0.122 0.000 2.625 395 Y HA 0.913 5.468 4.550 0.008 0.000 0.338 395 Y C -0.537 175.421 175.900 0.098 0.000 1.123 395 Y CA -1.117 57.046 58.100 0.105 0.000 1.046 395 Y CB 0.668 39.185 38.460 0.095 0.000 1.299 395 Y HN 0.681 nan 8.280 nan 0.000 0.464 396 A N 0.811 123.818 122.820 0.311 0.000 2.269 396 A HA 0.902 5.226 4.320 0.008 0.000 0.319 396 A C -1.001 176.696 177.584 0.188 0.000 1.110 396 A CA -0.755 51.409 52.037 0.211 0.000 0.847 396 A CB 1.411 20.493 19.000 0.136 0.000 1.161 396 A HN 1.137 nan 8.150 nan 0.000 0.497 397 V N 0.480 120.478 119.914 0.141 0.000 3.177 397 V HA 0.455 4.580 4.120 0.008 0.000 0.287 397 V C -0.322 175.818 176.094 0.076 0.000 1.465 397 V CA -0.165 62.196 62.300 0.102 0.000 1.020 397 V CB 2.242 34.137 31.823 0.119 0.000 1.152 397 V HN 1.401 nan 8.190 nan 0.000 0.448 416 C N 3.514 122.842 119.300 0.047 0.000 2.620 416 C HA 0.686 5.151 4.460 0.008 0.000 0.356 416 C C -2.859 172.234 174.990 0.173 0.000 1.082 416 C CA -1.365 57.708 59.018 0.092 0.000 1.293 416 C CB 1.034 28.826 27.740 0.087 0.000 1.836 416 C HN 0.359 nan 8.230 nan 0.000 0.453 417 P HA 0.580 nan 4.420 nan 0.000 0.290 417 P C -0.090 177.328 177.300 0.197 0.000 1.275 417 P CA -0.271 62.971 63.100 0.237 0.000 0.841 417 P CB 1.610 33.424 31.700 0.191 0.000 1.042 418 I N 0.573 121.269 120.570 0.209 0.000 4.228 418 I HA 0.442 4.617 4.170 0.008 0.000 0.298 418 I C 0.723 176.939 176.117 0.166 0.000 1.206 418 I CA 0.412 61.807 61.300 0.157 0.000 1.322 418 I CB 0.383 38.456 38.000 0.123 0.000 1.411 418 I HN 0.397 nan 8.210 nan 0.000 0.454 419 A N 0.247 123.183 122.820 0.194 0.000 2.601 419 A HA 0.658 4.983 4.320 0.008 0.000 0.291 419 A C -2.227 175.536 177.584 0.299 0.000 1.075 419 A CA -0.559 51.592 52.037 0.190 0.000 0.671 419 A CB 0.978 20.011 19.000 0.055 0.000 1.277 419 A HN 0.264 nan 8.150 nan 0.000 0.417 420 W N -0.881 120.510 121.300 0.151 0.000 3.075 420 W HA 0.858 5.523 4.660 0.008 0.000 0.334 420 W C -0.713 175.949 176.519 0.237 0.000 1.243 420 W CA -0.678 56.766 57.345 0.165 0.000 1.170 420 W CB 1.194 30.732 29.460 0.130 0.000 1.452 420 W HN 1.938 nan 8.180 nan 0.000 0.572 421 A N 2.013 125.095 122.820 0.437 0.000 2.583 421 A HA 0.578 4.903 4.320 0.008 0.000 0.292 421 A C -1.696 176.172 177.584 0.473 0.000 1.045 421 A CA -0.917 51.308 52.037 0.314 0.000 0.672 421 A CB 1.391 20.421 19.000 0.050 0.000 1.283 421 A HN 0.615 nan 8.150 nan 0.000 0.419 422 N N 0.016 118.953 118.700 0.396 0.000 2.265 422 N HA 0.772 5.516 4.740 0.008 0.000 0.300 422 N C -1.433 174.186 175.510 0.181 0.000 1.148 422 N CA -0.459 52.745 53.050 0.256 0.000 0.772 422 N CB 1.865 40.464 38.487 0.186 0.000 1.434 422 N HN 0.667 nan 8.380 nan 0.000 0.481 423 L N -1.434 119.861 121.223 0.121 0.000 2.409 423 L HA 0.610 4.955 4.340 0.008 0.000 0.262 423 L C -0.198 176.688 176.870 0.027 0.000 0.992 423 L CA -1.019 53.871 54.840 0.083 0.000 0.817 423 L CB 0.434 42.562 42.059 0.115 0.000 1.350 423 L HN 0.282 nan 8.230 nan 0.000 0.411 424 M N 2.126 121.735 119.600 0.014 0.000 2.239 424 M HA 0.200 4.684 4.480 0.008 0.000 0.348 424 M C 1.282 177.614 176.300 0.052 0.000 1.239 424 M CA 0.179 55.499 55.300 0.033 0.000 1.114 424 M CB 0.483 33.120 32.600 0.063 0.000 1.641 424 M HN 0.748 nan 8.290 nan 0.000 0.453 425 L N 1.752 122.965 121.223 -0.016 0.000 2.131 425 L HA 0.002 4.346 4.340 0.008 0.000 0.206 425 L C 0.281 176.997 176.870 -0.256 0.000 1.087 425 L CA 0.849 55.571 54.840 -0.197 0.000 0.767 425 L CB -0.029 41.754 42.059 -0.460 0.000 0.917 425 L HN 0.454 nan 8.230 nan 0.000 0.441 426 F N 0.446 120.456 119.950 0.099 0.000 2.397 426 F HA 0.143 4.674 4.527 0.008 0.000 0.331 426 F C 0.940 176.863 175.800 0.204 0.000 1.090 426 F CA -1.471 56.604 58.000 0.125 0.000 1.065 426 F CB 0.481 39.540 39.000 0.100 0.000 1.184 426 F HN 0.018 nan 8.300 nan 0.000 0.499 427 D N 1.532 122.123 120.400 0.319 0.000 2.274 427 D HA -0.137 4.508 4.640 0.008 0.000 0.256 427 D C 0.689 177.080 176.300 0.152 0.000 1.274 427 D CA -0.120 54.060 54.000 0.301 0.000 0.998 427 D CB 0.004 40.922 40.800 0.197 0.000 1.139 427 D HN 0.674 nan 8.370 nan 0.000 0.540 428 Y N -2.323 117.917 120.300 -0.100 0.000 2.490 428 Y HA 0.327 4.882 4.550 0.008 0.000 0.281 428 Y C 0.910 176.651 175.900 -0.265 0.000 1.174 428 Y CA -0.113 57.694 58.100 -0.489 0.000 1.295 428 Y CB 0.058 38.375 38.460 -0.237 0.000 1.062 428 Y HN 0.007 nan 8.280 nan 0.000 0.522 429 K N 1.621 121.717 120.400 -0.506 0.000 3.010 429 K HA 0.103 4.428 4.320 0.008 0.000 0.211 429 K C -0.401 176.202 176.600 0.005 0.000 1.146 429 K CA 0.424 56.515 56.287 -0.326 0.000 1.070 429 K CB -0.219 32.058 32.500 -0.373 0.000 0.908 429 K HN 0.467 nan 8.250 nan 0.000 0.463 430 D N -0.352 120.037 120.400 -0.019 0.000 2.921 430 D HA -0.277 4.368 4.640 0.008 0.000 0.202 430 D C 0.440 176.912 176.300 0.286 0.000 1.082 430 D CA 1.137 55.189 54.000 0.087 0.000 1.014 430 D CB -0.412 40.454 40.800 0.110 0.000 1.120 430 D HN 0.481 nan 8.370 nan 0.000 0.416 431 Q N 0.936 120.873 119.800 0.229 0.000 2.313 431 Q HA 0.313 4.658 4.340 0.008 0.000 0.266 431 Q C 0.007 176.155 176.000 0.246 0.000 0.989 431 Q CA -0.500 55.326 55.803 0.039 0.000 0.890 431 Q CB 0.781 29.388 28.738 -0.218 0.000 1.200 431 Q HN 0.300 nan 8.270 nan 0.000 0.396 432 L N 4.012 125.403 121.223 0.280 0.000 2.483 432 L HA 0.071 4.415 4.340 0.008 0.000 0.276 432 L C -0.575 176.272 176.870 -0.037 0.000 1.213 432 L CA 0.704 55.538 54.840 -0.009 0.000 0.843 432 L CB 0.485 42.481 42.059 -0.104 0.000 1.107 432 L HN 0.601 nan 8.230 nan 0.000 0.487 433 K N 2.657 123.014 120.400 -0.072 0.000 2.174 433 K HA 0.534 4.858 4.320 0.008 0.000 0.275 433 K C -0.353 176.220 176.600 -0.046 0.000 1.015 433 K CA -0.281 55.990 56.287 -0.028 0.000 0.933 433 K CB 1.274 33.775 32.500 0.001 0.000 1.025 433 K HN 0.790 nan 8.250 nan 0.000 0.463 434 T N -1.443 113.068 114.554 -0.072 0.000 2.840 434 T HA 0.470 4.825 4.350 0.008 0.000 0.317 434 T C 0.231 174.819 174.700 -0.186 0.000 1.401 434 T CA -0.531 61.480 62.100 -0.149 0.000 1.028 434 T CB 1.668 70.478 68.868 -0.096 0.000 1.317 434 T HN 0.528 nan 8.240 nan 0.000 0.495 435 G N 0.408 108.993 108.800 -0.360 0.000 2.797 435 G HA2 0.312 4.276 3.960 0.008 0.000 0.211 435 G HA3 0.312 4.276 3.960 0.008 0.000 0.211 435 G C 0.130 174.414 174.900 -1.028 0.000 1.236 435 G CA -0.056 44.504 45.100 -0.901 0.000 0.833 435 G HN 0.893 nan 8.290 nan 0.000 0.624 436 E N 0.576 120.324 120.200 -0.753 0.000 2.283 436 E HA 0.549 4.903 4.350 0.008 0.000 0.278 436 E C -0.796 175.715 176.600 -0.148 0.000 1.027 436 E CA -0.526 55.683 56.400 -0.318 0.000 0.843 436 E CB 0.894 30.578 29.700 -0.027 0.000 1.062 436 E HN -0.021 nan 8.360 nan 0.000 0.401 437 R N 2.217 122.660 120.500 -0.096 0.000 2.686 437 R HA 0.364 4.708 4.340 0.008 0.000 0.286 437 R C -1.356 174.879 176.300 -0.107 0.000 0.969 437 R CA -0.428 55.626 56.100 -0.077 0.000 0.898 437 R CB 1.750 32.020 30.300 -0.050 0.000 1.183 437 R HN 0.556 nan 8.270 nan 0.000 0.456 438 C N 4.459 123.677 119.300 -0.138 0.000 2.341 438 C HA 0.679 5.144 4.460 0.008 0.000 0.338 438 C C -0.906 173.843 174.990 -0.403 0.000 1.257 438 C CA -0.566 58.290 59.018 -0.271 0.000 1.883 438 C CB -0.415 27.171 27.740 -0.258 0.000 2.334 438 C HN 0.699 nan 8.230 nan 0.000 0.524 439 L N 6.370 127.265 121.223 -0.546 0.000 2.415 439 L HA 0.361 4.705 4.340 0.008 0.000 0.268 439 L C -1.312 175.231 176.870 -0.545 0.000 0.984 439 L CA -0.394 54.183 54.840 -0.438 0.000 0.853 439 L CB 0.971 42.873 42.059 -0.261 0.000 1.215 439 L HN 0.650 nan 8.230 nan 0.000 0.419 440 Y N 3.619 123.790 120.300 -0.216 0.000 2.504 440 Y HA 0.379 4.934 4.550 0.009 0.000 0.351 440 Y C 0.656 176.253 175.900 -0.505 0.000 0.988 440 Y CA -0.325 57.582 58.100 -0.322 0.000 1.239 440 Y CB 0.671 38.927 38.460 -0.339 0.000 1.128 440 Y HN 0.433 nan 8.280 nan 0.000 0.525 441 M N 2.457 121.865 119.600 -0.320 0.000 2.291 441 M HA 0.262 4.746 4.480 0.008 0.000 0.324 441 M C -1.003 174.960 176.300 -0.562 0.000 1.148 441 M CA -0.383 54.673 55.300 -0.408 0.000 1.104 441 M CB 0.991 33.465 32.600 -0.209 0.000 1.483 441 M HN 0.567 nan 8.290 nan 0.000 0.467 442 W N 1.904 122.849 121.300 -0.592 0.000 2.469 442 W HA 0.453 5.117 4.660 0.007 0.000 0.320 442 W C -2.082 174.246 176.519 -0.318 0.000 1.086 442 W CA -1.625 55.394 57.345 -0.543 0.000 1.211 442 W CB 0.044 28.972 29.460 -0.887 0.000 1.298 442 W HN 0.309 nan 8.180 nan 0.000 0.525 443 P HA 0.196 nan 4.420 nan 0.000 0.274 443 P C -0.271 177.197 177.300 0.281 0.000 1.246 443 P CA -0.111 63.087 63.100 0.164 0.000 0.795 443 P CB 1.271 33.041 31.700 0.117 0.000 1.006 444 S N -0.317 115.530 115.700 0.245 0.000 2.730 444 S HA 0.276 4.751 4.470 0.008 0.000 0.284 444 S C 0.482 175.175 174.600 0.156 0.000 1.153 444 S CA -0.736 57.612 58.200 0.247 0.000 0.995 444 S CB 0.979 64.317 63.200 0.230 0.000 1.058 444 S HN 0.396 nan 8.310 nan 0.000 0.552 453 L N 2.378 123.641 121.223 0.068 0.000 2.319 453 L HA 0.643 4.988 4.340 0.008 0.000 0.280 453 L C 0.406 177.145 176.870 -0.217 0.000 1.099 453 L CA 0.148 54.985 54.840 -0.005 0.000 0.828 453 L CB 1.033 43.147 42.059 0.091 0.000 1.150 453 L HN 0.550 nan 8.230 nan 0.000 0.442 454 N N 4.471 122.963 118.700 -0.347 0.000 3.012 454 N HA 0.342 5.087 4.740 0.008 0.000 0.270 454 N C -2.044 173.105 175.510 -0.601 0.000 1.469 454 N CA -1.780 50.913 53.050 -0.595 0.000 0.928 454 N CB 0.818 38.666 38.487 -1.064 0.000 1.219 454 N HN 0.207 nan 8.380 nan 0.000 0.492 455 P HA -0.105 nan 4.420 nan 0.000 0.217 455 P C 0.632 177.699 177.300 -0.389 0.000 1.148 455 P CA 0.933 63.664 63.100 -0.615 0.000 0.828 455 P CB 0.294 31.493 31.700 -0.835 0.000 0.783 456 A N -0.723 121.764 122.820 -0.556 0.000 2.218 456 A HA 0.322 4.647 4.320 0.008 0.000 0.209 456 A C 1.429 178.673 177.584 -0.567 0.000 1.168 456 A CA 0.384 51.935 52.037 -0.811 0.000 0.804 456 A CB -1.116 17.396 19.000 -0.814 0.000 0.834 456 A HN 0.263 nan 8.150 nan 0.000 0.482 457 G N -0.651 107.810 108.800 -0.565 0.000 2.594 457 G HA2 0.347 4.312 3.960 0.008 0.000 0.243 457 G HA3 0.347 4.312 3.960 0.008 0.000 0.243 457 G C 0.326 175.191 174.900 -0.059 0.000 1.229 457 G CA 0.468 45.320 45.100 -0.414 0.000 0.843 457 G HN 0.178 nan 8.290 nan 0.000 0.578 458 T N -1.117 113.438 114.554 0.000 0.000 2.908 458 T HA 0.085 4.439 4.350 0.008 0.000 0.325 458 T C 1.511 176.268 174.700 0.096 0.000 1.092 458 T CA 0.477 62.557 62.100 -0.032 0.000 1.125 458 T CB 0.481 69.266 68.868 -0.137 0.000 1.016 458 T HN 0.976 nan 8.240 nan 0.000 0.550 459 V N 2.263 122.198 119.914 0.035 0.000 3.342 459 V HA 0.475 4.600 4.120 0.008 0.000 0.322 459 V C 0.654 176.794 176.094 0.076 0.000 1.370 459 V CA -0.241 62.093 62.300 0.056 0.000 1.170 459 V CB -0.858 30.938 31.823 -0.046 0.000 1.101 459 V HN 0.672 nan 8.190 nan 0.000 0.442 460 R N 0.550 121.122 120.500 0.120 0.000 2.711 460 R HA 0.681 5.026 4.340 0.008 0.000 0.284 460 R C 0.649 177.104 176.300 0.258 0.000 0.968 460 R CA -0.076 56.104 56.100 0.134 0.000 0.924 460 R CB 1.739 32.088 30.300 0.082 0.000 1.162 460 R HN 0.443 nan 8.270 nan 0.000 0.465 461 G N 1.724 110.609 108.800 0.141 0.000 2.636 461 G HA2 -0.076 3.888 3.960 0.008 0.000 0.246 461 G HA3 -0.076 3.888 3.960 0.008 0.000 0.246 461 G C -0.390 174.369 174.900 -0.234 0.000 1.216 461 G CA -0.462 44.646 45.100 0.013 0.000 0.854 461 G HN 0.640 nan 8.290 nan 0.000 0.572 462 N N 1.082 119.238 118.700 -0.906 0.000 2.452 462 N HA 0.098 4.843 4.740 0.008 0.000 0.266 462 N C -1.287 173.837 175.510 -0.642 0.000 1.209 462 N CA -1.687 50.508 53.050 -1.425 0.000 0.929 462 N CB 1.530 39.117 38.487 -1.499 0.000 1.063 462 N HN 0.002 nan 8.380 nan 0.000 0.472 463 P HA -0.075 nan 4.420 nan 0.000 0.220 463 P C 0.133 177.253 177.300 -0.299 0.000 1.148 463 P CA 0.811 63.745 63.100 -0.277 0.000 0.803 463 P CB 0.113 31.731 31.700 -0.137 0.000 0.782 464 N N 0.239 118.757 118.700 -0.304 0.000 2.971 464 N HA -0.027 4.718 4.740 0.008 0.000 0.294 464 N C 0.832 176.158 175.510 -0.307 0.000 1.210 464 N CA 0.363 53.269 53.050 -0.240 0.000 1.157 464 N CB -0.566 37.813 38.487 -0.179 0.000 1.450 464 N HN 0.077 nan 8.380 nan 0.000 0.527 465 T N -0.598 113.718 114.554 -0.396 0.000 2.821 465 T HA -0.199 4.156 4.350 0.008 0.000 0.267 465 T C 1.436 175.927 174.700 -0.349 0.000 1.046 465 T CA 1.338 63.059 62.100 -0.631 0.000 1.139 465 T CB -0.195 68.178 68.868 -0.825 0.000 0.871 465 T HN 0.584 nan 8.240 nan 0.000 0.454 466 E N 1.788 121.859 120.200 -0.215 0.000 2.077 466 E HA -0.105 4.250 4.350 0.008 0.000 0.193 466 E C 2.307 178.860 176.600 -0.078 0.000 0.989 466 E CA 1.576 57.907 56.400 -0.116 0.000 0.800 466 E CB -0.591 29.055 29.700 -0.090 0.000 0.746 466 E HN 0.499 nan 8.360 nan 0.000 0.452 467 S N -0.221 115.424 115.700 -0.092 0.000 2.503 467 S HA 0.335 4.810 4.470 0.008 0.000 0.215 467 S C 0.741 175.303 174.600 -0.062 0.000 1.003 467 S CA 0.018 58.180 58.200 -0.063 0.000 0.910 467 S CB -0.154 63.011 63.200 -0.058 0.000 0.790 467 S HN 0.469 nan 8.310 nan 0.000 0.514 468 A N 1.731 124.497 122.820 -0.090 0.000 2.450 468 A HA 0.698 5.022 4.320 0.008 0.000 0.255 468 A C 0.568 178.154 177.584 0.003 0.000 1.096 468 A CA 0.018 52.008 52.037 -0.080 0.000 0.778 468 A CB -0.070 18.842 19.000 -0.147 0.000 1.031 468 A HN 0.706 nan 8.150 nan 0.000 0.494 469 A N 1.836 124.639 122.820 -0.029 0.000 2.540 469 A HA 0.483 4.808 4.320 0.008 0.000 0.239 469 A C 0.620 178.173 177.584 -0.053 0.000 1.061 469 A CA 0.628 52.651 52.037 -0.023 0.000 0.758 469 A CB -0.167 18.817 19.000 -0.027 0.000 0.991 469 A HN 2.267 nan 8.150 nan 0.000 0.502 470 A N 3.168 125.940 122.820 -0.080 0.000 2.353 470 A HA 0.611 4.936 4.320 0.008 0.000 0.299 470 A C -0.478 176.976 177.584 -0.216 0.000 1.089 470 A CA -0.468 51.422 52.037 -0.246 0.000 0.736 470 A CB 0.689 19.483 19.000 -0.343 0.000 1.195 470 A HN 0.791 nan 8.150 nan 0.000 0.447 471 L N 3.026 124.085 121.223 -0.273 0.000 2.312 471 L HA 0.573 4.918 4.340 0.008 0.000 0.281 471 L C -0.019 176.700 176.870 -0.251 0.000 1.070 471 L CA -0.863 53.832 54.840 -0.242 0.000 0.805 471 L CB 1.640 43.473 42.059 -0.376 0.000 1.174 471 L HN 0.613 nan 8.230 nan 0.000 0.434 472 V N 2.072 121.895 119.914 -0.151 0.000 2.483 472 V HA 0.708 4.833 4.120 0.008 0.000 0.295 472 V C -0.211 175.825 176.094 -0.097 0.000 1.035 472 V CA -0.633 61.598 62.300 -0.115 0.000 0.896 472 V CB 1.544 33.339 31.823 -0.047 0.000 0.986 472 V HN 0.727 nan 8.190 nan 0.000 0.447 473 I N 1.213 121.737 120.570 -0.077 0.000 3.264 473 I HA 0.699 4.874 4.170 0.008 0.000 0.315 473 I C -1.650 174.516 176.117 0.081 0.000 1.154 473 I CA -1.260 60.026 61.300 -0.023 0.000 0.962 473 I CB 2.644 40.596 38.000 -0.079 0.000 1.265 473 I HN 0.678 nan 8.210 nan 0.000 0.463 474 Y N 3.173 123.470 120.300 -0.005 0.000 2.402 474 Y HA 0.549 5.104 4.550 0.008 0.000 0.325 474 Y C -1.316 174.582 175.900 -0.004 0.000 1.009 474 Y CA -0.949 57.149 58.100 -0.003 0.000 1.278 474 Y CB 1.298 39.751 38.460 -0.011 0.000 1.105 474 Y HN 0.411 nan 8.280 nan 0.000 0.476 475 L N 8.656 129.811 121.223 -0.113 0.000 2.433 475 L HA 0.294 4.638 4.340 0.008 0.000 0.275 475 L C -2.192 174.633 176.870 -0.075 0.000 1.128 475 L CA -2.332 52.472 54.840 -0.060 0.000 0.875 475 L CB -0.461 41.572 42.059 -0.043 0.000 1.171 475 L HN 0.489 nan 8.230 nan 0.000 0.463 476 P HA 0.179 nan 4.420 nan 0.000 0.274 476 P C -0.769 176.582 177.300 0.085 0.000 1.256 476 P CA -0.592 62.627 63.100 0.199 0.000 0.795 476 P CB 0.511 32.266 31.700 0.091 0.000 1.038 477 E N -0.092 120.180 120.200 0.120 0.000 2.101 477 E HA 0.252 4.607 4.350 0.008 0.000 0.260 477 E C -0.515 176.113 176.600 0.047 0.000 0.897 477 E CA -0.956 55.481 56.400 0.062 0.000 0.744 477 E CB 0.543 30.283 29.700 0.067 0.000 1.140 477 E HN 0.142 nan 8.360 nan 0.000 0.419 478 V N 1.250 121.183 119.914 0.032 0.000 1.956 478 V HA 0.433 4.558 4.120 0.008 0.000 0.248 478 V C 0.779 176.885 176.094 0.020 0.000 1.615 478 V CA 0.191 62.505 62.300 0.023 0.000 1.558 478 V CB -1.859 29.977 31.823 0.021 0.000 1.529 478 V HN 0.943 nan 8.190 nan 0.000 0.505 483 V N -0.773 119.014 119.914 -0.212 0.000 2.656 483 V HA 0.826 4.951 4.120 0.008 0.000 0.307 483 V C -1.285 174.689 176.094 -0.200 0.000 1.051 483 V CA -0.608 61.633 62.300 -0.099 0.000 0.893 483 V CB 1.793 33.646 31.823 0.049 0.000 0.999 483 V HN 0.447 nan 8.190 nan 0.000 0.426 484 Y N 2.716 123.098 120.300 0.136 0.000 2.567 484 Y HA 0.611 5.166 4.550 0.008 0.000 0.333 484 Y C -0.090 175.883 175.900 0.122 0.000 1.106 484 Y CA -1.100 57.083 58.100 0.137 0.000 1.157 484 Y CB 1.795 40.298 38.460 0.073 0.000 1.277 484 Y HN 0.773 nan 8.280 nan 0.000 0.490 485 F N 4.088 124.081 119.950 0.072 0.000 2.504 485 F HA 0.285 4.816 4.527 0.008 0.000 0.369 485 F C -1.908 173.911 175.800 0.032 0.000 1.082 485 F CA -1.885 56.065 58.000 -0.085 0.000 1.216 485 F CB 0.383 39.184 39.000 -0.332 0.000 1.108 485 F HN 0.271 nan 8.300 nan 0.000 0.554 486 P HA 0.027 nan 4.420 nan 0.000 0.264 486 P C -0.789 176.543 177.300 0.054 0.000 1.183 486 P CA -0.017 63.031 63.100 -0.087 0.000 0.763 486 P CB 0.411 31.994 31.700 -0.196 0.000 0.807 487 A N 2.647 125.504 122.820 0.062 0.000 2.409 487 A HA 0.009 4.333 4.320 0.008 0.000 0.246 487 A C 1.362 179.016 177.584 0.116 0.000 1.099 487 A CA -0.182 51.915 52.037 0.099 0.000 0.789 487 A CB -0.346 18.680 19.000 0.044 0.000 1.053 487 A HN 0.640 nan 8.150 nan 0.000 0.503 488 L N 0.321 121.634 121.223 0.150 0.000 2.141 488 L HA -0.143 4.202 4.340 0.008 0.000 0.209 488 L C 2.407 179.296 176.870 0.031 0.000 1.094 488 L CA 2.674 57.571 54.840 0.095 0.000 0.763 488 L CB -1.017 41.086 42.059 0.073 0.000 0.908 488 L HN 0.953 nan 8.230 nan 0.000 0.437 489 E N -1.008 119.208 120.200 0.028 0.000 2.065 489 E HA -0.299 4.056 4.350 0.008 0.000 0.201 489 E C 1.877 178.466 176.600 -0.020 0.000 1.016 489 E CA 1.607 58.009 56.400 0.003 0.000 0.818 489 E CB -0.565 29.134 29.700 -0.001 0.000 0.749 489 E HN 0.306 nan 8.360 nan 0.000 0.453 490 K N 0.364 120.750 120.400 -0.024 0.000 2.057 490 K HA -0.090 4.235 4.320 0.008 0.000 0.207 490 K C 2.254 178.819 176.600 -0.058 0.000 1.049 490 K CA 1.022 57.275 56.287 -0.056 0.000 0.931 490 K CB -0.320 32.142 32.500 -0.063 0.000 0.714 490 K HN 0.285 nan 8.250 nan 0.000 0.440 491 I N 1.326 121.884 120.570 -0.020 0.000 2.127 491 I HA -0.278 3.897 4.170 0.008 0.000 0.241 491 I C 2.296 178.396 176.117 -0.027 0.000 1.075 491 I CA 1.124 62.423 61.300 -0.001 0.000 1.334 491 I CB -1.224 36.808 38.000 0.053 0.000 1.040 491 I HN 0.021 nan 8.210 nan 0.000 0.405 492 L N 0.648 121.858 121.223 -0.022 0.000 2.013 492 L HA -0.207 4.138 4.340 0.008 0.000 0.212 492 L C 2.553 179.311 176.870 -0.186 0.000 1.073 492 L CA 1.549 56.354 54.840 -0.058 0.000 0.753 492 L CB -1.540 40.533 42.059 0.024 0.000 0.890 492 L HN 0.352 nan 8.230 nan 0.000 0.432 493 E N -0.633 119.493 120.200 -0.124 0.000 2.086 493 E HA -0.237 4.118 4.350 0.008 0.000 0.205 493 E C 1.047 177.542 176.600 -0.175 0.000 1.027 493 E CA 1.044 57.360 56.400 -0.139 0.000 0.830 493 E CB -0.119 29.514 29.700 -0.112 0.000 0.751 493 E HN 0.158 nan 8.360 nan 0.000 0.456 512 R N 1.481 121.965 120.500 -0.027 0.000 2.009 512 R HA 0.268 4.613 4.340 0.008 0.000 0.206 512 R C 1.653 177.888 176.300 -0.109 0.000 1.356 512 R CA 1.667 57.729 56.100 -0.063 0.000 1.088 512 R CB -0.276 29.988 30.300 -0.061 0.000 0.959 512 R HN 0.451 nan 8.270 nan 0.000 0.469 513 E N 1.188 121.319 120.200 -0.115 0.000 2.347 513 E HA -0.123 4.231 4.350 0.008 0.000 0.196 513 E C 1.728 178.275 176.600 -0.089 0.000 1.008 513 E CA 0.400 56.711 56.400 -0.148 0.000 0.852 513 E CB -0.211 29.433 29.700 -0.093 0.000 0.783 513 E HN 0.148 nan 8.360 nan 0.000 0.505 514 I N 1.561 122.095 120.570 -0.060 0.000 2.181 514 I HA -0.320 3.855 4.170 0.008 0.000 0.247 514 I C 1.872 177.951 176.117 -0.063 0.000 1.081 514 I CA 1.565 62.838 61.300 -0.045 0.000 1.340 514 I CB -0.065 37.916 38.000 -0.031 0.000 1.036 514 I HN 0.135 nan 8.210 nan 0.000 0.417 515 L N -1.319 119.849 121.223 -0.091 0.000 2.313 515 L HA 0.161 4.506 4.340 0.008 0.000 0.214 515 L C 1.473 178.286 176.870 -0.095 0.000 1.119 515 L CA 1.010 55.781 54.840 -0.114 0.000 0.809 515 L CB -1.186 40.780 42.059 -0.155 0.000 0.933 515 L HN 0.132 nan 8.230 nan 0.000 0.449 516 E N 2.863 123.009 120.200 -0.089 0.000 1.852 516 E HA 0.136 4.491 4.350 0.008 0.000 0.276 516 E C -0.370 176.212 176.600 -0.030 0.000 1.163 516 E CA -0.257 56.097 56.400 -0.076 0.000 1.117 516 E CB 0.199 29.819 29.700 -0.132 0.000 1.124 516 E HN 0.399 nan 8.360 nan 0.000 0.458 523 L N -1.532 119.656 121.223 -0.060 0.000 2.370 523 L HA 0.673 5.018 4.340 0.008 0.000 0.266 523 L C -0.724 176.152 176.870 0.010 0.000 1.002 523 L CA -0.953 53.806 54.840 -0.134 0.000 0.818 523 L CB 1.277 43.256 42.059 -0.133 0.000 1.325 523 L HN -0.079 nan 8.230 nan 0.000 0.418 524 Y N 0.867 121.114 120.300 -0.089 0.000 2.258 524 Y HA 0.112 4.667 4.550 0.008 0.000 0.345 524 Y C 1.478 177.340 175.900 -0.065 0.000 1.303 524 Y CA -0.188 57.878 58.100 -0.058 0.000 1.537 524 Y CB 0.468 38.913 38.460 -0.026 0.000 1.383 524 Y HN 0.800 nan 8.280 nan 0.000 0.606 525 E N 0.549 120.876 120.200 0.213 0.000 2.031 525 E HA -0.239 4.116 4.350 0.008 0.000 0.193 525 E C 1.966 178.646 176.600 0.134 0.000 0.994 525 E CA 2.255 58.734 56.400 0.130 0.000 0.800 525 E CB -0.395 29.368 29.700 0.106 0.000 0.752 525 E HN 0.831 nan 8.360 nan 0.000 0.447 526 H N -1.056 118.069 119.070 0.092 0.000 2.389 526 H HA 0.097 4.658 4.556 0.008 0.000 0.299 526 H C 1.907 177.282 175.328 0.078 0.000 1.081 526 H CA 1.195 57.289 56.048 0.076 0.000 1.345 526 H CB -0.258 29.547 29.762 0.072 0.000 1.393 526 H HN 0.217 nan 8.280 nan 0.000 0.520 527 E N 1.293 121.210 120.200 -0.472 0.000 2.058 527 E HA -0.174 4.181 4.350 0.008 0.000 0.194 527 E C 2.062 178.595 176.600 -0.112 0.000 0.997 527 E CA 1.385 57.583 56.400 -0.337 0.000 0.801 527 E CB -0.014 29.463 29.700 -0.371 0.000 0.746 527 E HN 0.578 nan 8.360 nan 0.000 0.450 528 K N 0.761 121.131 120.400 -0.051 0.000 2.063 528 K HA -0.187 4.138 4.320 0.008 0.000 0.208 528 K C 1.789 178.425 176.600 0.059 0.000 1.048 528 K CA 1.630 57.922 56.287 0.008 0.000 0.928 528 K CB -0.123 32.383 32.500 0.011 0.000 0.713 528 K HN 0.087 nan 8.250 nan 0.000 0.442 529 D N 0.986 121.424 120.400 0.064 0.000 2.123 529 D HA -0.174 4.471 4.640 0.008 0.000 0.196 529 D C 1.773 178.141 176.300 0.113 0.000 0.992 529 D CA 0.830 54.896 54.000 0.109 0.000 0.833 529 D CB -0.232 40.630 40.800 0.103 0.000 0.954 529 D HN 0.005 nan 8.370 nan 0.000 0.455 530 L N 0.813 122.074 121.223 0.062 0.000 2.093 530 L HA -0.094 4.251 4.340 0.008 0.000 0.208 530 L C 2.239 179.124 176.870 0.024 0.000 1.085 530 L CA 1.012 55.874 54.840 0.037 0.000 0.755 530 L CB -0.743 41.322 42.059 0.009 0.000 0.904 530 L HN -0.075 nan 8.230 nan 0.000 0.435 531 V N -1.122 118.811 119.914 0.031 0.000 2.216 531 V HA -0.338 3.787 4.120 0.008 0.000 0.243 531 V C 2.234 178.369 176.094 0.068 0.000 1.044 531 V CA 2.033 64.352 62.300 0.032 0.000 0.995 531 V CB -1.134 30.718 31.823 0.050 0.000 0.633 531 V HN 0.618 nan 8.190 nan 0.000 0.446 532 W N 1.474 122.747 121.300 -0.044 0.000 2.313 532 W HA -0.312 4.353 4.660 0.008 0.000 0.293 532 W C 2.432 178.929 176.519 -0.037 0.000 1.216 532 W CA 2.511 59.822 57.345 -0.056 0.000 1.223 532 W CB -0.069 29.349 29.460 -0.070 0.000 1.138 532 W HN 0.278 nan 8.180 nan 0.000 0.535 533 K N 0.915 121.288 120.400 -0.045 0.000 1.991 533 K HA -0.168 4.157 4.320 0.008 0.000 0.207 533 K C 1.827 178.363 176.600 -0.106 0.000 1.045 533 K CA 1.793 58.025 56.287 -0.092 0.000 0.937 533 K CB -1.156 31.356 32.500 0.020 0.000 0.720 533 K HN -0.018 nan 8.250 nan 0.000 0.438 534 M N 2.006 121.575 119.600 -0.052 0.000 2.763 534 M HA -0.001 4.484 4.480 0.008 0.000 0.244 534 M C 1.226 177.495 176.300 -0.051 0.000 1.065 534 M CA 0.697 55.987 55.300 -0.016 0.000 1.070 534 M CB -0.346 32.250 32.600 -0.008 0.000 1.494 534 M HN 0.234 nan 8.290 nan 0.000 0.546 535 R N -1.357 119.010 120.500 -0.221 0.000 2.185 535 R HA -0.236 4.108 4.340 0.008 0.000 0.247 535 R C 1.175 177.297 176.300 -0.296 0.000 1.159 535 R CA 2.222 58.124 56.100 -0.331 0.000 0.988 535 R CB -1.053 28.812 30.300 -0.725 0.000 0.871 535 R HN 0.433 nan 8.270 nan 0.000 0.458 536 H N 0.658 119.656 119.070 -0.120 0.000 2.403 536 H HA 0.060 4.620 4.556 0.008 0.000 0.298 536 H C 1.639 176.930 175.328 -0.063 0.000 1.059 536 H CA 1.236 57.223 56.048 -0.101 0.000 1.363 536 H CB 0.080 29.784 29.762 -0.096 0.000 1.410 536 H HN 0.307 nan 8.280 nan 0.000 0.528 537 E N 0.882 121.167 120.200 0.142 0.000 2.418 537 E HA -0.067 4.287 4.350 0.008 0.000 0.197 537 E C 2.112 178.880 176.600 0.280 0.000 1.026 537 E CA 0.404 56.934 56.400 0.217 0.000 0.862 537 E CB -0.113 29.726 29.700 0.231 0.000 0.799 537 E HN 0.355 nan 8.360 nan 0.000 0.518 538 V N 1.257 121.282 119.914 0.185 0.000 2.302 538 V HA -0.237 3.888 4.120 0.008 0.000 0.243 538 V C 2.683 178.760 176.094 -0.029 0.000 1.036 538 V CA 1.787 64.238 62.300 0.252 0.000 1.020 538 V CB -0.672 31.308 31.823 0.262 0.000 0.657 538 V HN 0.212 nan 8.190 nan 0.000 0.453 539 Q N 0.007 119.574 119.800 -0.388 0.000 2.152 539 Q HA -0.282 4.063 4.340 0.008 0.000 0.206 539 Q C 2.236 177.820 176.000 -0.695 0.000 0.985 539 Q CA 2.249 57.371 55.803 -1.135 0.000 0.863 539 Q CB -0.059 28.189 28.738 -0.817 0.000 0.904 539 Q HN 0.726 nan 8.270 nan 0.000 0.422 540 E N -1.193 118.776 120.200 -0.386 0.000 2.028 540 E HA -0.154 4.201 4.350 0.008 0.000 0.190 540 E C 0.968 177.177 176.600 -0.653 0.000 0.984 540 E CA 1.232 57.349 56.400 -0.471 0.000 0.800 540 E CB 0.164 29.678 29.700 -0.310 0.000 0.758 540 E HN 0.535 nan 8.360 nan 0.000 0.448 541 H N -2.845 116.111 119.070 -0.190 0.000 3.233 541 H HA 0.214 4.775 4.556 0.008 0.000 0.263 541 H C -0.630 174.210 175.328 -0.814 0.000 1.168 541 H CA -0.101 55.682 56.048 -0.442 0.000 1.159 541 H CB 0.721 30.203 29.762 -0.467 0.000 1.593 541 H HN -0.020 nan 8.280 nan 0.000 0.580 542 F N -0.669 119.292 119.950 0.018 0.000 2.538 542 F HA 0.266 4.798 4.527 0.008 0.000 0.390 542 F C -2.077 173.799 175.800 0.127 0.000 1.448 542 F CA -1.570 56.471 58.000 0.069 0.000 1.115 542 F CB 1.221 40.276 39.000 0.092 0.000 1.268 542 F HN -0.038 nan 8.300 nan 0.000 0.515 543 P HA -0.202 nan 4.420 nan 0.000 0.218 543 P C 1.147 178.763 177.300 0.527 0.000 1.146 543 P CA 1.569 64.885 63.100 0.360 0.000 0.813 543 P CB 0.214 31.966 31.700 0.086 0.000 0.778 544 E N -0.921 119.465 120.200 0.310 0.000 2.472 544 E HA -0.009 4.346 4.350 0.008 0.000 0.200 544 E C 1.381 178.100 176.600 0.199 0.000 1.046 544 E CA 0.536 57.073 56.400 0.228 0.000 0.871 544 E CB -0.233 29.565 29.700 0.163 0.000 0.806 544 E HN 0.233 nan 8.360 nan 0.000 0.533 545 A N 0.556 123.533 122.820 0.260 0.000 2.387 545 A HA 0.073 4.397 4.320 0.008 0.000 0.234 545 A C 1.675 179.327 177.584 0.113 0.000 1.253 545 A CA -0.237 51.904 52.037 0.173 0.000 0.894 545 A CB -0.045 19.054 19.000 0.166 0.000 0.963 545 A HN 0.179 nan 8.150 nan 0.000 0.508 546 L N 0.440 121.709 121.223 0.077 0.000 2.040 546 L HA -0.322 4.023 4.340 0.008 0.000 0.228 546 L C 2.495 179.206 176.870 -0.265 0.000 1.092 546 L CA 2.831 57.456 54.840 -0.359 0.000 0.805 546 L CB -0.972 40.616 42.059 -0.785 0.000 0.905 546 L HN 0.403 nan 8.230 nan 0.000 0.443 547 A N -0.952 121.753 122.820 -0.192 0.000 1.883 547 A HA -0.256 4.069 4.320 0.008 0.000 0.217 547 A C 2.461 180.110 177.584 0.109 0.000 1.186 547 A CA 1.965 53.950 52.037 -0.086 0.000 0.624 547 A CB -0.674 18.235 19.000 -0.153 0.000 0.822 547 A HN 0.547 nan 8.150 nan 0.000 0.444 548 R N -1.178 119.368 120.500 0.076 0.000 2.117 548 R HA -0.170 4.174 4.340 0.008 0.000 0.243 548 R C 2.100 178.454 176.300 0.091 0.000 1.143 548 R CA 1.646 57.798 56.100 0.087 0.000 0.968 548 R CB -0.474 29.857 30.300 0.052 0.000 0.863 548 R HN 0.562 nan 8.270 nan 0.000 0.444 549 L N 0.752 122.020 121.223 0.076 0.000 2.156 549 L HA -0.078 4.266 4.340 0.008 0.000 0.208 549 L C 1.815 178.763 176.870 0.130 0.000 1.095 549 L CA 1.466 56.367 54.840 0.102 0.000 0.770 549 L CB -0.199 41.910 42.059 0.083 0.000 0.914 549 L HN 0.106 nan 8.230 nan 0.000 0.439 550 L N -0.820 120.487 121.223 0.141 0.000 2.046 550 L HA -0.192 4.153 4.340 0.008 0.000 0.208 550 L C 2.279 179.392 176.870 0.404 0.000 1.077 550 L CA 1.226 56.250 54.840 0.307 0.000 0.747 550 L CB -0.594 41.707 42.059 0.403 0.000 0.896 550 L HN 0.290 nan 8.230 nan 0.000 0.432 551 L N -0.147 121.247 121.223 0.286 0.000 2.610 551 L HA -0.053 4.291 4.340 0.008 0.000 0.232 551 L C 2.058 178.994 176.870 0.110 0.000 1.149 551 L CA 0.040 54.993 54.840 0.188 0.000 0.872 551 L CB -0.232 41.885 42.059 0.097 0.000 0.992 551 L HN 0.236 nan 8.230 nan 0.000 0.447 552 V N -5.310 114.653 119.914 0.082 0.000 3.431 552 V HA 0.081 4.205 4.120 0.008 0.000 0.253 552 V C 1.341 177.343 176.094 -0.154 0.000 1.184 552 V CA 0.245 62.548 62.300 0.005 0.000 1.104 552 V CB -0.145 31.708 31.823 0.051 0.000 0.799 552 V HN 0.345 nan 8.190 nan 0.000 0.462 553 T N 1.803 116.212 114.554 -0.242 0.000 2.926 553 T HA 0.132 4.487 4.350 0.008 0.000 0.307 553 T C 0.270 174.416 174.700 -0.923 0.000 1.059 553 T CA -0.267 61.387 62.100 -0.743 0.000 1.122 553 T CB 0.358 68.741 68.868 -0.809 0.000 0.972 553 T HN 0.387 nan 8.240 nan 0.000 0.545 554 K N 4.726 124.545 120.400 -0.969 0.000 2.083 554 K HA 0.063 4.388 4.320 0.008 0.000 0.246 554 K C 0.584 176.830 176.600 -0.589 0.000 1.160 554 K CA 0.014 55.911 56.287 -0.650 0.000 1.060 554 K CB -0.266 31.885 32.500 -0.581 0.000 1.417 554 K HN 0.793 nan 8.250 nan 0.000 0.329 555 W N 1.139 122.281 121.300 -0.264 0.000 2.392 555 W HA -0.192 4.473 4.660 0.008 0.000 0.279 555 W C 1.524 177.889 176.519 -0.257 0.000 1.225 555 W CA 0.808 57.962 57.345 -0.318 0.000 1.233 555 W CB -0.220 28.966 29.460 -0.457 0.000 1.122 555 W HN 0.537 nan 8.180 nan 0.000 0.561 556 N N 0.024 118.701 118.700 -0.038 0.000 2.370 556 N HA -0.010 4.735 4.740 0.008 0.000 0.198 556 N C -0.252 175.210 175.510 -0.080 0.000 1.156 556 N CA 0.473 53.497 53.050 -0.043 0.000 0.839 556 N CB -0.157 38.302 38.487 -0.047 0.000 0.989 556 N HN -0.181 nan 8.380 nan 0.000 0.468 557 K N 1.145 121.454 120.400 -0.151 0.000 2.604 557 K HA 0.091 4.415 4.320 0.008 0.000 0.247 557 K C 0.551 177.007 176.600 -0.241 0.000 0.956 557 K CA -0.500 55.644 56.287 -0.239 0.000 0.896 557 K CB 0.747 33.075 32.500 -0.287 0.000 1.131 557 K HN 0.329 nan 8.250 nan 0.000 0.440 558 H N 1.504 120.577 119.070 0.004 0.000 2.321 558 H HA -0.163 4.398 4.556 0.008 0.000 0.295 558 H C 0.823 176.167 175.328 0.026 0.000 1.102 558 H CA 1.477 57.551 56.048 0.044 0.000 1.266 558 H CB 0.300 30.110 29.762 0.081 0.000 1.363 558 H HN 0.561 nan 8.280 nan 0.000 0.492 559 E N 0.880 121.025 120.200 -0.090 0.000 2.049 559 E HA -0.185 4.169 4.350 0.008 0.000 0.198 559 E C 1.883 178.508 176.600 0.042 0.000 1.007 559 E CA 1.883 58.330 56.400 0.079 0.000 0.809 559 E CB -0.033 29.669 29.700 0.003 0.000 0.749 559 E HN 0.604 nan 8.360 nan 0.000 0.450 560 D N -0.178 120.165 120.400 -0.095 0.000 2.178 560 D HA -0.104 4.540 4.640 0.008 0.000 0.202 560 D C 1.976 178.196 176.300 -0.135 0.000 0.974 560 D CA 0.470 54.387 54.000 -0.138 0.000 0.841 560 D CB -0.209 40.237 40.800 -0.589 0.000 0.953 560 D HN 0.021 nan 8.370 nan 0.000 0.478 561 V N 1.037 120.835 119.914 -0.194 0.000 2.594 561 V HA -0.211 3.914 4.120 0.008 0.000 0.253 561 V C 2.367 178.500 176.094 0.066 0.000 1.069 561 V CA 1.618 63.834 62.300 -0.141 0.000 1.082 561 V CB -0.697 31.119 31.823 -0.011 0.000 0.680 561 V HN 0.212 nan 8.190 nan 0.000 0.469 562 A N -0.540 122.346 122.820 0.110 0.000 1.873 562 A HA -0.251 4.074 4.320 0.008 0.000 0.215 562 A C 2.172 179.848 177.584 0.154 0.000 1.186 562 A CA 1.728 53.843 52.037 0.130 0.000 0.616 562 A CB -0.408 18.657 19.000 0.108 0.000 0.823 562 A HN 0.576 nan 8.150 nan 0.000 0.442 563 Q N -1.630 118.284 119.800 0.190 0.000 2.119 563 Q HA -0.163 4.181 4.340 0.008 0.000 0.201 563 Q C 2.098 178.215 176.000 0.194 0.000 0.972 563 Q CA 1.663 57.595 55.803 0.214 0.000 0.847 563 Q CB -0.318 28.548 28.738 0.213 0.000 0.903 563 Q HN 0.639 nan 8.270 nan 0.000 0.433 564 M N 0.433 120.179 119.600 0.244 0.000 2.080 564 M HA -0.151 4.333 4.480 0.008 0.000 0.260 564 M C 1.563 177.918 176.300 0.091 0.000 1.068 564 M CA 1.601 56.999 55.300 0.162 0.000 1.109 564 M CB -0.381 32.282 32.600 0.105 0.000 1.342 564 M HN 0.163 nan 8.290 nan 0.000 0.405 565 L N -0.754 120.536 121.223 0.111 0.000 2.012 565 L HA -0.210 4.135 4.340 0.008 0.000 0.210 565 L C 2.387 179.303 176.870 0.077 0.000 1.073 565 L CA 1.912 56.800 54.840 0.080 0.000 0.748 565 L CB -1.831 40.281 42.059 0.088 0.000 0.891 565 L HN 0.463 nan 8.230 nan 0.000 0.431 566 Y N -0.010 120.288 120.300 -0.004 0.000 2.102 566 Y HA -0.314 4.241 4.550 0.008 0.000 0.280 566 Y C 2.389 178.302 175.900 0.021 0.000 1.178 566 Y CA 1.629 59.727 58.100 -0.003 0.000 1.146 566 Y CB -0.577 37.888 38.460 0.008 0.000 0.968 566 Y HN 0.091 nan 8.280 nan 0.000 0.504 567 L N -0.984 120.188 121.223 -0.085 0.000 1.989 567 L HA -0.259 4.085 4.340 0.008 0.000 0.211 567 L C 2.495 179.408 176.870 0.071 0.000 1.071 567 L CA 1.510 56.306 54.840 -0.074 0.000 0.749 567 L CB -0.932 41.161 42.059 0.058 0.000 0.890 567 L HN 0.322 nan 8.230 nan 0.000 0.431 568 L N -0.370 120.880 121.223 0.045 0.000 2.127 568 L HA -0.240 4.104 4.340 0.008 0.000 0.211 568 L C 2.415 179.295 176.870 0.016 0.000 1.089 568 L CA 1.627 56.442 54.840 -0.041 0.000 0.757 568 L CB -0.702 41.242 42.059 -0.192 0.000 0.899 568 L HN 0.303 nan 8.230 nan 0.000 0.434 569 C N -0.568 118.724 119.300 -0.013 0.000 2.449 569 C HA -0.002 4.463 4.460 0.008 0.000 0.283 569 C C 2.023 177.034 174.990 0.036 0.000 1.453 569 C CA 0.958 59.978 59.018 0.004 0.000 1.779 569 C CB -1.535 26.188 27.740 -0.030 0.000 1.779 569 C HN 0.769 nan 8.230 nan 0.000 0.546 570 S N -3.080 112.630 115.700 0.017 0.000 2.937 570 S HA 0.108 4.583 4.470 0.008 0.000 0.252 570 S C -0.164 174.464 174.600 0.048 0.000 1.022 570 S CA -0.456 57.749 58.200 0.009 0.000 1.079 570 S CB -0.289 62.853 63.200 -0.096 0.000 1.035 570 S HN 0.616 nan 8.310 nan 0.000 0.594 571 W N 5.109 126.383 121.300 -0.043 0.000 2.210 571 W HA 0.246 4.911 4.660 0.008 0.000 0.330 571 W C -2.690 173.918 176.519 0.148 0.000 1.334 571 W CA -1.200 56.134 57.345 -0.019 0.000 1.227 571 W CB 0.555 29.897 29.460 -0.197 0.000 1.178 571 W HN 0.111 nan 8.180 nan 0.000 0.560 572 P HA 0.040 nan 4.420 nan 0.000 0.275 572 P C -0.693 176.864 177.300 0.428 0.000 1.228 572 P CA 0.246 63.461 63.100 0.191 0.000 0.786 572 P CB 0.751 32.456 31.700 0.008 0.000 0.927 573 E N 0.971 121.283 120.200 0.186 0.000 2.481 573 E HA 0.022 4.377 4.350 0.008 0.000 0.263 573 E C 0.005 176.671 176.600 0.109 0.000 0.992 573 E CA 0.250 56.646 56.400 -0.006 0.000 0.938 573 E CB 0.155 29.788 29.700 -0.111 0.000 0.933 573 E HN 0.362 nan 8.360 nan 0.000 0.453 574 L N 4.042 125.316 121.223 0.084 0.000 2.358 574 L HA 0.419 4.764 4.340 0.008 0.000 0.268 574 L C -2.130 174.759 176.870 0.032 0.000 1.032 574 L CA -2.379 52.536 54.840 0.125 0.000 0.805 574 L CB 0.834 43.012 42.059 0.198 0.000 1.253 574 L HN 0.316 nan 8.230 nan 0.000 0.452 575 P HA 0.048 nan 4.420 nan 0.000 0.271 575 P C 0.872 178.183 177.300 0.019 0.000 1.218 575 P CA -0.349 62.770 63.100 0.032 0.000 0.780 575 P CB 0.797 32.525 31.700 0.046 0.000 0.901 576 V N 2.472 122.398 119.914 0.021 0.000 2.277 576 V HA -0.282 3.843 4.120 0.008 0.000 0.253 576 V C 2.221 178.317 176.094 0.003 0.000 1.067 576 V CA 2.132 64.443 62.300 0.018 0.000 1.047 576 V CB -1.093 30.771 31.823 0.069 0.000 0.649 576 V HN 0.551 nan 8.190 nan 0.000 0.447 577 L N 0.398 121.642 121.223 0.035 0.000 1.990 577 L HA -0.192 4.152 4.340 0.008 0.000 0.213 577 L C 2.546 179.459 176.870 0.072 0.000 1.072 577 L CA 2.664 57.548 54.840 0.074 0.000 0.755 577 L CB -0.826 41.291 42.059 0.097 0.000 0.889 577 L HN 0.404 nan 8.230 nan 0.000 0.432 578 S N 0.099 115.818 115.700 0.033 0.000 2.356 578 S HA -0.148 4.326 4.470 0.008 0.000 0.223 578 S C 2.149 176.672 174.600 -0.129 0.000 1.032 578 S CA 1.061 59.237 58.200 -0.041 0.000 1.005 578 S CB -0.990 62.219 63.200 0.015 0.000 0.867 578 S HN 0.668 nan 8.310 nan 0.000 0.449 579 A N 1.931 124.703 122.820 -0.081 0.000 1.927 579 A HA -0.119 4.206 4.320 0.008 0.000 0.220 579 A C 2.144 179.642 177.584 -0.142 0.000 1.185 579 A CA 1.512 53.485 52.037 -0.107 0.000 0.639 579 A CB -0.952 17.989 19.000 -0.099 0.000 0.820 579 A HN 0.481 nan 8.150 nan 0.000 0.451 580 L N -1.029 120.109 121.223 -0.141 0.000 2.201 580 L HA -0.168 4.177 4.340 0.008 0.000 0.212 580 L C 2.591 179.334 176.870 -0.212 0.000 1.105 580 L CA 1.578 56.328 54.840 -0.150 0.000 0.775 580 L CB -0.426 41.539 42.059 -0.156 0.000 0.913 580 L HN 0.689 nan 8.230 nan 0.000 0.440 581 E N 0.932 120.883 120.200 -0.415 0.000 2.046 581 E HA -0.185 4.170 4.350 0.008 0.000 0.190 581 E C 2.332 178.755 176.600 -0.295 0.000 0.982 581 E CA 0.769 56.855 56.400 -0.525 0.000 0.800 581 E CB -0.026 29.195 29.700 -0.798 0.000 0.756 581 E HN 0.443 nan 8.360 nan 0.000 0.449 582 L N 0.903 121.876 121.223 -0.417 0.000 2.261 582 L HA -0.165 4.180 4.340 0.008 0.000 0.216 582 L C 2.236 179.010 176.870 -0.160 0.000 1.114 582 L CA 0.705 55.217 54.840 -0.547 0.000 0.777 582 L CB -0.327 41.516 42.059 -0.361 0.000 0.910 582 L HN 0.325 nan 8.230 nan 0.000 0.440 583 L N -0.595 120.605 121.223 -0.039 0.000 2.599 583 L HA -0.011 4.334 4.340 0.008 0.000 0.230 583 L C 0.650 177.624 176.870 0.173 0.000 1.141 583 L CA -0.206 54.673 54.840 0.066 0.000 0.877 583 L CB -0.416 41.668 42.059 0.042 0.000 1.009 583 L HN 0.218 nan 8.230 nan 0.000 0.447 584 D N -0.985 119.556 120.400 0.235 0.000 2.329 584 D HA -0.069 4.576 4.640 0.008 0.000 0.246 584 D C 0.941 177.261 176.300 0.034 0.000 1.111 584 D CA -0.333 53.788 54.000 0.202 0.000 0.941 584 D CB 0.841 41.772 40.800 0.218 0.000 1.169 584 D HN -0.027 nan 8.370 nan 0.000 0.441 585 F N 1.627 121.304 119.950 -0.455 0.000 2.250 585 F HA -0.144 4.388 4.527 0.008 0.000 0.301 585 F C 2.178 177.642 175.800 -0.560 0.000 1.077 585 F CA 1.177 58.747 58.000 -0.717 0.000 1.348 585 F CB -0.460 37.920 39.000 -1.033 0.000 1.040 585 F HN 0.303 nan 8.300 nan 0.000 0.509 586 S N -0.502 114.793 115.700 -0.675 0.000 2.528 586 S HA -0.116 4.358 4.470 0.008 0.000 0.244 586 S C 0.163 173.924 174.600 -1.398 0.000 0.982 586 S CA 0.550 58.126 58.200 -1.039 0.000 0.953 586 S CB -0.747 61.766 63.200 -1.145 0.000 0.754 586 S HN 0.285 nan 8.310 nan 0.000 0.529 587 F N 0.723 120.431 119.950 -0.404 0.000 2.531 587 F HA 0.349 4.880 4.527 0.008 0.000 0.333 587 F C -1.902 173.642 175.800 -0.427 0.000 1.292 587 F CA -2.314 55.464 58.000 -0.370 0.000 1.184 587 F CB 0.911 39.784 39.000 -0.211 0.000 1.426 587 F HN -0.066 nan 8.300 nan 0.000 0.559 588 P HA -0.105 nan 4.420 nan 0.000 0.225 588 P C 0.256 177.321 177.300 -0.393 0.000 1.156 588 P CA 0.696 63.449 63.100 -0.578 0.000 0.787 588 P CB 0.225 31.333 31.700 -0.987 0.000 0.802 589 D N -0.018 120.160 120.400 -0.370 0.000 2.458 589 D HA -0.046 4.599 4.640 0.008 0.000 0.243 589 D C 1.367 177.634 176.300 -0.056 0.000 1.146 589 D CA -0.103 53.806 54.000 -0.151 0.000 0.877 589 D CB 0.628 41.396 40.800 -0.054 0.000 1.176 589 D HN 0.144 nan 8.370 nan 0.000 0.461 590 C N 3.334 122.587 119.300 -0.078 0.000 2.481 590 C HA 0.053 4.517 4.460 0.008 0.000 0.275 590 C C 2.055 177.001 174.990 -0.072 0.000 1.419 590 C CA -0.201 58.759 59.018 -0.097 0.000 1.773 590 C CB -1.562 26.081 27.740 -0.162 0.000 1.862 590 C HN 0.692 nan 8.230 nan 0.000 0.530 591 Y N 1.682 122.009 120.300 0.044 0.000 2.263 591 Y HA 0.016 4.571 4.550 0.008 0.000 0.292 591 Y C 2.777 178.722 175.900 0.074 0.000 1.130 591 Y CA 1.397 59.540 58.100 0.072 0.000 1.179 591 Y CB -0.686 37.830 38.460 0.093 0.000 0.998 591 Y HN 0.199 nan 8.280 nan 0.000 0.532 592 V N -0.718 119.311 119.914 0.192 0.000 2.343 592 V HA -0.246 3.879 4.120 0.008 0.000 0.247 592 V C 2.494 178.649 176.094 0.101 0.000 1.051 592 V CA 1.995 64.349 62.300 0.089 0.000 1.036 592 V CB -1.368 30.483 31.823 0.048 0.000 0.654 592 V HN 0.517 nan 8.190 nan 0.000 0.451 593 G N -1.341 107.501 108.800 0.070 0.000 2.402 593 G HA2 -0.256 3.709 3.960 0.008 0.000 0.216 593 G HA3 -0.256 3.709 3.960 0.008 0.000 0.216 593 G C 1.908 176.839 174.900 0.052 0.000 1.162 593 G CA 1.109 46.237 45.100 0.046 0.000 0.777 593 G HN 0.467 nan 8.290 nan 0.000 0.539 594 S N -0.363 115.385 115.700 0.081 0.000 2.382 594 S HA -0.110 4.365 4.470 0.008 0.000 0.228 594 S C 2.002 176.660 174.600 0.097 0.000 1.027 594 S CA 1.340 59.587 58.200 0.079 0.000 0.991 594 S CB -0.373 62.900 63.200 0.122 0.000 0.823 594 S HN 0.389 nan 8.310 nan 0.000 0.469 595 F N 2.084 122.033 119.950 -0.002 0.000 2.146 595 F HA 0.080 4.612 4.527 0.008 0.000 0.298 595 F C 2.247 178.000 175.800 -0.080 0.000 1.096 595 F CA 1.116 59.100 58.000 -0.027 0.000 1.275 595 F CB -0.776 38.205 39.000 -0.032 0.000 1.008 595 F HN 0.248 nan 8.300 nan 0.000 0.480 596 A N 1.142 124.012 122.820 0.084 0.000 1.892 596 A HA -0.210 4.115 4.320 0.008 0.000 0.218 596 A C 2.174 179.636 177.584 -0.203 0.000 1.188 596 A CA 2.065 54.065 52.037 -0.060 0.000 0.631 596 A CB -1.101 17.879 19.000 -0.033 0.000 0.822 596 A HN 0.416 nan 8.150 nan 0.000 0.447 597 I N 0.072 120.517 120.570 -0.208 0.000 2.179 597 I HA -0.239 3.936 4.170 0.008 0.000 0.242 597 I C 2.366 178.241 176.117 -0.404 0.000 1.088 597 I CA 2.039 63.116 61.300 -0.372 0.000 1.357 597 I CB -1.351 36.466 38.000 -0.304 0.000 1.051 597 I HN 0.496 nan 8.210 nan 0.000 0.409 598 K N 1.045 121.264 120.400 -0.302 0.000 2.001 598 K HA -0.198 4.127 4.320 0.008 0.000 0.214 598 K C 2.265 178.667 176.600 -0.331 0.000 1.050 598 K CA 2.291 58.403 56.287 -0.291 0.000 0.934 598 K CB -0.059 32.266 32.500 -0.292 0.000 0.718 598 K HN 0.114 nan 8.250 nan 0.000 0.443 599 S N 0.756 116.190 115.700 -0.443 0.000 2.423 599 S HA -0.029 4.446 4.470 0.008 0.000 0.231 599 S C 1.708 176.180 174.600 -0.212 0.000 1.014 599 S CA 0.882 58.874 58.200 -0.345 0.000 0.965 599 S CB -0.099 62.858 63.200 -0.406 0.000 0.785 599 S HN 0.274 nan 8.310 nan 0.000 0.495 600 L N 0.752 121.825 121.223 -0.249 0.000 2.313 600 L HA 0.082 4.426 4.340 0.008 0.000 0.214 600 L C 2.365 179.143 176.870 -0.154 0.000 1.119 600 L CA 0.500 55.223 54.840 -0.194 0.000 0.809 600 L CB -0.303 41.591 42.059 -0.274 0.000 0.933 600 L HN 0.179 nan 8.230 nan 0.000 0.449 601 R N 1.034 121.399 120.500 -0.226 0.000 2.211 601 R HA -0.204 4.141 4.340 0.008 0.000 0.240 601 R C 2.102 178.462 176.300 0.098 0.000 1.144 601 R CA 1.469 57.553 56.100 -0.027 0.000 0.992 601 R CB -0.282 29.999 30.300 -0.032 0.000 0.869 601 R HN 0.522 nan 8.270 nan 0.000 0.462 602 K N 0.658 121.079 120.400 0.035 0.000 2.305 602 K HA 0.009 4.333 4.320 0.008 0.000 0.199 602 K C 0.573 177.222 176.600 0.082 0.000 1.047 602 K CA 0.220 56.538 56.287 0.052 0.000 0.976 602 K CB -0.159 32.351 32.500 0.017 0.000 0.765 602 K HN 0.015 nan 8.250 nan 0.000 0.474 603 L N 3.747 125.038 121.223 0.112 0.000 2.714 603 L HA -0.126 4.218 4.340 0.008 0.000 0.301 603 L C 0.983 177.918 176.870 0.108 0.000 1.248 603 L CA 0.422 55.342 54.840 0.133 0.000 0.885 603 L CB -0.103 42.081 42.059 0.208 0.000 1.143 603 L HN 0.410 nan 8.230 nan 0.000 0.500 604 T N -1.277 113.315 114.554 0.064 0.000 2.788 604 T HA 0.074 4.428 4.350 0.008 0.000 0.287 604 T C 0.843 175.563 174.700 0.033 0.000 1.007 604 T CA -0.645 61.480 62.100 0.041 0.000 1.005 604 T CB 0.973 69.850 68.868 0.015 0.000 1.012 604 T HN 0.568 nan 8.240 nan 0.000 0.530 605 D N 0.388 120.802 120.400 0.024 0.000 2.117 605 D HA -0.052 4.593 4.640 0.008 0.000 0.197 605 D C 1.750 178.068 176.300 0.029 0.000 0.987 605 D CA 1.157 55.170 54.000 0.022 0.000 0.829 605 D CB -0.234 40.570 40.800 0.007 0.000 0.961 605 D HN 0.614 nan 8.370 nan 0.000 0.460 606 D N 0.574 120.976 120.400 0.003 0.000 2.144 606 D HA -0.102 4.543 4.640 0.008 0.000 0.200 606 D C 1.926 178.182 176.300 -0.072 0.000 0.978 606 D CA 0.630 54.636 54.000 0.009 0.000 0.833 606 D CB -0.125 40.659 40.800 -0.026 0.000 0.961 606 D HN 0.372 nan 8.370 nan 0.000 0.470 607 E N 0.131 120.248 120.200 -0.139 0.000 2.031 607 E HA -0.167 4.188 4.350 0.008 0.000 0.193 607 E C 2.102 178.462 176.600 -0.401 0.000 0.994 607 E CA 0.418 56.613 56.400 -0.342 0.000 0.800 607 E CB -0.150 29.448 29.700 -0.171 0.000 0.752 607 E HN 0.077 nan 8.360 nan 0.000 0.447 608 L N 0.954 122.119 121.223 -0.097 0.000 2.043 608 L HA -0.212 4.133 4.340 0.008 0.000 0.212 608 L C 2.128 178.992 176.870 -0.010 0.000 1.075 608 L CA 1.685 56.533 54.840 0.013 0.000 0.752 608 L CB -0.817 41.286 42.059 0.074 0.000 0.891 608 L HN 0.114 nan 8.230 nan 0.000 0.432 609 F N 0.409 120.277 119.950 -0.138 0.000 2.126 609 F HA -0.271 4.261 4.527 0.008 0.000 0.299 609 F C 2.600 178.281 175.800 -0.198 0.000 1.096 609 F CA 2.079 59.997 58.000 -0.137 0.000 1.255 609 F CB -0.705 38.211 39.000 -0.141 0.000 0.997 609 F HN 0.309 nan 8.300 nan 0.000 0.479 610 Q N -0.353 119.141 119.800 -0.510 0.000 2.152 610 Q HA -0.229 4.116 4.340 0.008 0.000 0.206 610 Q C 1.306 177.026 176.000 -0.466 0.000 0.985 610 Q CA 2.133 57.547 55.803 -0.649 0.000 0.863 610 Q CB -0.599 27.692 28.738 -0.746 0.000 0.904 610 Q HN 0.594 nan 8.270 nan 0.000 0.422 611 Y N -1.314 118.857 120.300 -0.216 0.000 2.467 611 Y HA 0.183 4.738 4.550 0.008 0.000 0.250 611 Y C 1.251 177.063 175.900 -0.147 0.000 1.155 611 Y CA -0.549 57.451 58.100 -0.167 0.000 1.249 611 Y CB -0.378 38.028 38.460 -0.090 0.000 1.146 611 Y HN 0.084 nan 8.280 nan 0.000 0.524 612 L N 0.599 121.796 121.223 -0.044 0.000 2.051 612 L HA -0.243 4.102 4.340 0.008 0.000 0.214 612 L C 2.218 179.027 176.870 -0.102 0.000 1.076 612 L CA 1.623 56.463 54.840 -0.001 0.000 0.758 612 L CB -0.896 41.218 42.059 0.091 0.000 0.890 612 L HN 0.310 nan 8.230 nan 0.000 0.433 613 L N -0.697 120.385 121.223 -0.235 0.000 2.043 613 L HA -0.264 4.081 4.340 0.008 0.000 0.212 613 L C 2.382 179.083 176.870 -0.281 0.000 1.075 613 L CA 1.941 56.517 54.840 -0.439 0.000 0.752 613 L CB -0.815 41.017 42.059 -0.378 0.000 0.891 613 L HN 0.401 nan 8.230 nan 0.000 0.432 614 Q N -0.737 118.963 119.800 -0.167 0.000 2.123 614 Q HA -0.013 4.332 4.340 0.008 0.000 0.199 614 Q C 2.204 178.150 176.000 -0.090 0.000 0.966 614 Q CA 1.579 57.303 55.803 -0.131 0.000 0.845 614 Q CB -0.328 28.347 28.738 -0.105 0.000 0.907 614 Q HN 0.528 nan 8.270 nan 0.000 0.439 615 L N -0.562 120.638 121.223 -0.038 0.000 2.131 615 L HA -0.146 4.199 4.340 0.008 0.000 0.210 615 L C 2.023 178.878 176.870 -0.025 0.000 1.092 615 L CA 0.586 55.432 54.840 0.009 0.000 0.759 615 L CB -0.456 41.655 42.059 0.085 0.000 0.903 615 L HN 0.106 nan 8.230 nan 0.000 0.435 616 V N -0.808 119.056 119.914 -0.085 0.000 2.358 616 V HA -0.241 3.884 4.120 0.008 0.000 0.246 616 V C 2.562 178.598 176.094 -0.097 0.000 1.047 616 V CA 1.420 63.643 62.300 -0.129 0.000 1.035 616 V CB -0.453 31.245 31.823 -0.209 0.000 0.658 616 V HN 0.446 nan 8.190 nan 0.000 0.452 617 Q N -0.350 119.371 119.800 -0.131 0.000 2.119 617 Q HA -0.102 4.243 4.340 0.008 0.000 0.201 617 Q C 2.366 178.209 176.000 -0.261 0.000 0.972 617 Q CA 1.286 56.996 55.803 -0.156 0.000 0.847 617 Q CB -0.679 27.940 28.738 -0.200 0.000 0.903 617 Q HN 0.521 nan 8.270 nan 0.000 0.433 618 V N 1.371 121.144 119.914 -0.235 0.000 2.720 618 V HA -0.220 3.904 4.120 0.008 0.000 0.256 618 V C 2.316 178.339 176.094 -0.118 0.000 1.082 618 V CA 0.905 63.056 62.300 -0.249 0.000 1.101 618 V CB -0.563 31.252 31.823 -0.013 0.000 0.693 618 V HN 0.285 nan 8.190 nan 0.000 0.479 619 L N -0.399 120.803 121.223 -0.035 0.000 2.081 619 L HA -0.262 4.083 4.340 0.008 0.000 0.212 619 L C 2.406 179.275 176.870 -0.001 0.000 1.080 619 L CA 1.746 56.617 54.840 0.052 0.000 0.754 619 L CB -0.589 41.566 42.059 0.161 0.000 0.893 619 L HN 0.283 nan 8.230 nan 0.000 0.433 620 K N -1.097 119.233 120.400 -0.117 0.000 2.519 620 K HA -0.170 4.155 4.320 0.008 0.000 0.196 620 K C 1.431 177.910 176.600 -0.201 0.000 1.041 620 K CA 0.869 57.024 56.287 -0.220 0.000 0.954 620 K CB -0.032 32.279 32.500 -0.315 0.000 0.774 620 K HN 0.272 nan 8.250 nan 0.000 0.480 621 Y N 1.215 121.456 120.300 -0.098 0.000 2.510 621 Y HA 0.097 4.652 4.550 0.008 0.000 0.273 621 Y C 0.652 176.520 175.900 -0.053 0.000 1.119 621 Y CA -0.302 57.730 58.100 -0.112 0.000 1.286 621 Y CB 0.052 38.501 38.460 -0.018 0.000 1.061 621 Y HN -0.096 nan 8.280 nan 0.000 0.542 622 E N 0.152 120.412 120.200 0.099 0.000 2.415 622 E HA 0.016 4.371 4.350 0.008 0.000 0.262 622 E C 0.926 177.504 176.600 -0.037 0.000 1.038 622 E CA 0.288 56.722 56.400 0.057 0.000 0.921 622 E CB 1.130 30.866 29.700 0.061 0.000 0.950 622 E HN 0.127 nan 8.360 nan 0.000 0.438 623 S N 1.462 117.095 115.700 -0.111 0.000 2.456 623 S HA 0.041 4.515 4.470 0.008 0.000 0.224 623 S C 0.082 174.305 174.600 -0.628 0.000 1.035 623 S CA 0.589 58.540 58.200 -0.415 0.000 0.940 623 S CB 0.076 62.927 63.200 -0.581 0.000 0.799 623 S HN 0.409 nan 8.310 nan 0.000 0.508 624 Y N -0.725 119.594 120.300 0.032 0.000 2.693 624 Y HA 0.510 5.065 4.550 0.007 0.000 0.331 624 Y C 0.982 176.880 175.900 -0.003 0.000 1.092 624 Y CA -1.102 57.012 58.100 0.023 0.000 1.131 624 Y CB 0.568 39.076 38.460 0.081 0.000 1.318 624 Y HN -0.211 nan 8.280 nan 0.000 0.510 625 L N -0.365 120.942 121.223 0.141 0.000 2.084 625 L HA 0.045 4.390 4.340 0.008 0.000 0.202 625 L C 0.173 177.226 176.870 0.304 0.000 1.074 625 L CA 0.869 55.704 54.840 -0.009 0.000 0.757 625 L CB -0.056 41.790 42.059 -0.355 0.000 0.918 625 L HN 0.543 nan 8.230 nan 0.000 0.444 626 D N 0.635 121.275 120.400 0.400 0.000 2.339 626 D HA 0.241 4.886 4.640 0.008 0.000 0.256 626 D C -0.648 175.773 176.300 0.202 0.000 1.214 626 D CA -0.143 54.053 54.000 0.326 0.000 0.877 626 D CB 0.610 41.530 40.800 0.201 0.000 1.111 626 D HN 0.266 nan 8.370 nan 0.000 0.478 627 C N 2.540 121.940 119.300 0.167 0.000 3.086 627 C HA 0.474 4.939 4.460 0.008 0.000 0.311 627 C C 1.356 176.393 174.990 0.078 0.000 1.260 627 C CA -0.818 58.271 59.018 0.119 0.000 1.426 627 C CB 1.762 29.588 27.740 0.143 0.000 1.826 627 C HN 0.544 nan 8.230 nan 0.000 0.474 628 E N 0.395 120.625 120.200 0.051 0.000 2.097 628 E HA -0.214 4.141 4.350 0.008 0.000 0.196 628 E C 1.753 178.409 176.600 0.094 0.000 1.000 628 E CA 1.503 57.925 56.400 0.036 0.000 0.804 628 E CB -0.175 29.532 29.700 0.010 0.000 0.740 628 E HN 0.787 nan 8.360 nan 0.000 0.454 629 L N 1.104 122.395 121.223 0.113 0.000 2.083 629 L HA -0.131 4.214 4.340 0.008 0.000 0.209 629 L C 2.184 179.180 176.870 0.210 0.000 1.083 629 L CA 1.860 56.807 54.840 0.178 0.000 0.752 629 L CB -0.822 41.320 42.059 0.139 0.000 0.899 629 L HN 0.016 nan 8.230 nan 0.000 0.433 630 T N -0.559 114.093 114.554 0.162 0.000 2.701 630 T HA -0.210 4.144 4.350 0.008 0.000 0.263 630 T C 1.845 176.622 174.700 0.128 0.000 1.040 630 T CA 1.758 63.955 62.100 0.162 0.000 1.147 630 T CB -0.140 68.867 68.868 0.231 0.000 0.865 630 T HN 0.348 nan 8.240 nan 0.000 0.426 631 K N 0.286 120.717 120.400 0.052 0.000 2.097 631 K HA -0.094 4.231 4.320 0.008 0.000 0.206 631 K C 1.982 178.658 176.600 0.128 0.000 1.049 631 K CA 1.088 57.330 56.287 -0.074 0.000 0.933 631 K CB -0.427 31.865 32.500 -0.346 0.000 0.717 631 K HN 0.220 nan 8.250 nan 0.000 0.442 632 F N 1.691 121.654 119.950 0.022 0.000 2.010 632 F HA -0.207 4.325 4.527 0.009 0.000 0.296 632 F C 1.673 177.536 175.800 0.105 0.000 1.146 632 F CA 1.755 59.795 58.000 0.067 0.000 1.181 632 F CB -0.746 38.280 39.000 0.043 0.000 0.965 632 F HN -0.015 nan 8.300 nan 0.000 0.480 633 L N -0.474 120.716 121.223 -0.056 0.000 2.021 633 L HA -0.298 4.047 4.340 0.008 0.000 0.215 633 L C 2.503 179.344 176.870 -0.049 0.000 1.074 633 L CA 1.094 55.857 54.840 -0.129 0.000 0.760 633 L CB -0.958 41.109 42.059 0.013 0.000 0.889 633 L HN 0.265 nan 8.230 nan 0.000 0.433 634 L N -0.009 121.265 121.223 0.085 0.000 2.027 634 L HA -0.086 4.259 4.340 0.008 0.000 0.206 634 L C 2.548 179.541 176.870 0.206 0.000 1.074 634 L CA 2.138 57.094 54.840 0.194 0.000 0.745 634 L CB -1.733 40.494 42.059 0.281 0.000 0.898 634 L HN 0.231 nan 8.230 nan 0.000 0.433 635 G N -0.683 108.279 108.800 0.270 0.000 2.491 635 G HA2 -0.280 3.685 3.960 0.008 0.000 0.218 635 G HA3 -0.280 3.685 3.960 0.008 0.000 0.218 635 G C 1.691 176.590 174.900 -0.002 0.000 1.180 635 G CA 0.483 45.683 45.100 0.166 0.000 0.774 635 G HN 0.254 nan 8.290 nan 0.000 0.562 636 R N 0.702 121.121 120.500 -0.135 0.000 2.115 636 R HA 0.100 4.445 4.340 0.008 0.000 0.230 636 R C 2.891 179.164 176.300 -0.045 0.000 1.111 636 R CA 1.138 57.137 56.100 -0.169 0.000 0.976 636 R CB -0.996 29.058 30.300 -0.410 0.000 0.870 636 R HN 0.374 nan 8.270 nan 0.000 0.445 637 A N 1.082 123.905 122.820 0.004 0.000 1.930 637 A HA -0.056 4.269 4.320 0.008 0.000 0.217 637 A C 2.249 179.989 177.584 0.260 0.000 1.175 637 A CA 0.960 53.059 52.037 0.104 0.000 0.627 637 A CB -0.411 18.628 19.000 0.065 0.000 0.815 637 A HN 0.183 nan 8.150 nan 0.000 0.443 638 L N -1.228 120.127 121.223 0.220 0.000 2.418 638 L HA 0.007 4.352 4.340 0.008 0.000 0.218 638 L C 2.589 179.527 176.870 0.113 0.000 1.125 638 L CA 0.646 55.595 54.840 0.182 0.000 0.835 638 L CB -0.144 41.928 42.059 0.022 0.000 0.953 638 L HN 0.428 nan 8.230 nan 0.000 0.454 639 A N -1.044 121.819 122.820 0.072 0.000 2.238 639 A HA 0.037 4.362 4.320 0.008 0.000 0.210 639 A C 0.682 178.358 177.584 0.154 0.000 1.179 639 A CA 0.227 52.304 52.037 0.066 0.000 0.827 639 A CB -0.065 18.921 19.000 -0.024 0.000 0.856 639 A HN 0.340 nan 8.150 nan 0.000 0.488 640 N N -0.376 118.388 118.700 0.107 0.000 2.533 640 N HA 0.176 4.921 4.740 0.008 0.000 0.289 640 N C 0.231 175.642 175.510 -0.164 0.000 1.103 640 N CA -0.404 52.607 53.050 -0.064 0.000 0.877 640 N CB 1.209 39.667 38.487 -0.048 0.000 1.419 640 N HN 0.211 nan 8.380 nan 0.000 0.517 641 R N 2.570 122.726 120.500 -0.572 0.000 2.115 641 R HA -0.070 4.275 4.340 0.008 0.000 0.230 641 R C 1.626 177.794 176.300 -0.221 0.000 1.111 641 R CA 1.254 57.037 56.100 -0.528 0.000 0.976 641 R CB 0.251 29.895 30.300 -1.094 0.000 0.870 641 R HN 0.543 nan 8.270 nan 0.000 0.445 642 K N 0.454 120.731 120.400 -0.204 0.000 2.009 642 K HA -0.152 4.173 4.320 0.008 0.000 0.210 642 K C 1.956 178.658 176.600 0.169 0.000 1.049 642 K CA 1.524 57.789 56.287 -0.036 0.000 0.929 642 K CB -0.034 32.392 32.500 -0.124 0.000 0.714 642 K HN 0.060 nan 8.250 nan 0.000 0.440 643 I N 1.017 121.649 120.570 0.103 0.000 2.179 643 I HA -0.166 4.009 4.170 0.008 0.000 0.242 643 I C 2.516 178.722 176.117 0.148 0.000 1.088 643 I CA 1.747 63.156 61.300 0.182 0.000 1.357 643 I CB -1.873 36.183 38.000 0.093 0.000 1.051 643 I HN 0.431 nan 8.210 nan 0.000 0.409 644 G N 0.131 108.988 108.800 0.095 0.000 2.529 644 G HA2 -0.381 3.584 3.960 0.008 0.000 0.219 644 G HA3 -0.381 3.584 3.960 0.008 0.000 0.219 644 G C 1.652 176.541 174.900 -0.017 0.000 1.177 644 G CA 1.650 46.749 45.100 -0.002 0.000 0.773 644 G HN 0.475 nan 8.290 nan 0.000 0.573 645 H N -0.029 119.099 119.070 0.097 0.000 2.289 645 H HA -0.106 4.454 4.556 0.007 0.000 0.294 645 H C 2.210 177.492 175.328 -0.076 0.000 1.095 645 H CA 2.233 58.281 56.048 -0.000 0.000 1.256 645 H CB -0.339 29.338 29.762 -0.141 0.000 1.359 645 H HN 0.382 nan 8.280 nan 0.000 0.487 646 F N -0.983 119.039 119.950 0.121 0.000 2.335 646 F HA -0.001 4.532 4.527 0.011 0.000 0.296 646 F C 2.300 178.021 175.800 -0.132 0.000 1.091 646 F CA 0.512 58.515 58.000 0.004 0.000 1.399 646 F CB -0.461 38.651 39.000 0.186 0.000 1.067 646 F HN 0.190 nan 8.300 nan 0.000 0.520 647 L N -0.117 121.168 121.223 0.103 0.000 2.013 647 L HA -0.271 4.074 4.340 0.008 0.000 0.212 647 L C 2.284 179.061 176.870 -0.155 0.000 1.073 647 L CA 1.802 56.635 54.840 -0.011 0.000 0.753 647 L CB -1.076 40.920 42.059 -0.105 0.000 0.890 647 L HN 0.209 nan 8.230 nan 0.000 0.432 648 F N -1.096 118.607 119.950 -0.411 0.000 2.069 648 F HA -0.264 4.268 4.527 0.008 0.000 0.298 648 F C 1.948 177.459 175.800 -0.482 0.000 1.113 648 F CA 1.946 59.617 58.000 -0.549 0.000 1.214 648 F CB -0.729 37.804 39.000 -0.778 0.000 0.978 648 F HN 0.126 nan 8.300 nan 0.000 0.474 649 W N -0.224 120.958 121.300 -0.196 0.000 2.374 649 W HA -0.182 4.482 4.660 0.007 0.000 0.288 649 W C 2.688 179.082 176.519 -0.208 0.000 1.218 649 W CA 1.202 58.403 57.345 -0.240 0.000 1.245 649 W CB -0.526 28.797 29.460 -0.228 0.000 1.126 649 W HN 0.101 nan 8.180 nan 0.000 0.545 650 H N -0.097 119.017 119.070 0.073 0.000 2.353 650 H HA -0.103 4.458 4.556 0.009 0.000 0.300 650 H C 2.189 177.411 175.328 -0.176 0.000 1.090 650 H CA 1.535 57.573 56.048 -0.018 0.000 1.327 650 H CB -0.784 28.949 29.762 -0.048 0.000 1.383 650 H HN 0.223 nan 8.280 nan 0.000 0.508 651 L N -0.090 120.984 121.223 -0.249 0.000 2.007 651 L HA -0.106 4.239 4.340 0.008 0.000 0.205 651 L C 2.757 179.501 176.870 -0.210 0.000 1.073 651 L CA 0.934 55.513 54.840 -0.435 0.000 0.744 651 L CB -0.330 41.418 42.059 -0.519 0.000 0.898 651 L HN 0.088 nan 8.230 nan 0.000 0.435 652 R N 1.060 121.283 120.500 -0.463 0.000 2.133 652 R HA -0.193 4.152 4.340 0.008 0.000 0.247 652 R C 2.390 178.699 176.300 0.015 0.000 1.151 652 R CA 2.012 57.886 56.100 -0.377 0.000 0.971 652 R CB -0.787 29.031 30.300 -0.804 0.000 0.866 652 R HN 0.514 nan 8.270 nan 0.000 0.447 653 S N -0.497 115.281 115.700 0.131 0.000 2.561 653 S HA -0.009 4.466 4.470 0.008 0.000 0.225 653 S C 0.669 175.456 174.600 0.311 0.000 0.977 653 S CA 0.686 59.038 58.200 0.252 0.000 0.926 653 S CB -0.066 63.289 63.200 0.259 0.000 0.769 653 S HN 0.492 nan 8.310 nan 0.000 0.533 654 E N 0.366 120.715 120.200 0.247 0.000 2.499 654 E HA 0.245 4.600 4.350 0.008 0.000 0.199 654 E C 0.613 177.207 176.600 -0.009 0.000 1.016 654 E CA -0.303 56.174 56.400 0.128 0.000 0.933 654 E CB 0.053 29.879 29.700 0.209 0.000 1.050 654 E HN 0.445 nan 8.360 nan 0.000 0.462 655 M N 1.077 120.756 119.600 0.131 0.000 2.476 655 M HA -0.076 4.409 4.480 0.008 0.000 0.262 655 M C 1.836 178.153 176.300 0.030 0.000 1.079 655 M CA 1.222 56.564 55.300 0.070 0.000 1.104 655 M CB -0.808 31.847 32.600 0.091 0.000 1.409 655 M HN 0.296 nan 8.290 nan 0.000 0.467 656 H N -1.109 117.979 119.070 0.030 0.000 2.533 656 H HA 0.252 4.813 4.556 0.007 0.000 0.271 656 H C -0.165 175.170 175.328 0.012 0.000 1.000 656 H CA 0.056 56.118 56.048 0.024 0.000 1.149 656 H CB -0.690 29.092 29.762 0.034 0.000 1.375 656 H HN 0.056 nan 8.280 nan 0.000 0.582 657 V N 3.801 123.449 119.914 -0.444 0.000 2.304 657 V HA 0.116 4.241 4.120 0.008 0.000 0.269 657 V C -1.369 174.627 176.094 -0.164 0.000 1.036 657 V CA -1.233 60.874 62.300 -0.323 0.000 0.840 657 V CB 1.635 33.213 31.823 -0.407 0.000 1.036 657 V HN 0.092 nan 8.190 nan 0.000 0.466 658 P HA -0.239 nan 4.420 nan 0.000 0.218 658 P C 1.899 179.247 177.300 0.079 0.000 1.152 658 P CA 2.079 65.219 63.100 0.067 0.000 0.857 658 P CB 0.184 32.008 31.700 0.206 0.000 0.787 659 S N -1.580 114.082 115.700 -0.063 0.000 2.474 659 S HA -0.077 4.398 4.470 0.008 0.000 0.235 659 S C 1.598 176.024 174.600 -0.290 0.000 0.997 659 S CA 1.311 59.360 58.200 -0.252 0.000 0.949 659 S CB -1.216 61.596 63.200 -0.648 0.000 0.766 659 S HN 0.174 nan 8.310 nan 0.000 0.517 660 V N -2.933 116.751 119.914 -0.383 0.000 3.556 660 V HA 0.659 4.783 4.120 0.008 0.000 0.287 660 V C 2.279 178.074 176.094 -0.498 0.000 1.422 660 V CA 0.145 62.056 62.300 -0.649 0.000 1.038 660 V CB -0.726 30.335 31.823 -1.269 0.000 0.850 660 V HN 0.386 nan 8.190 nan 0.000 0.437 661 A N 1.765 124.436 122.820 -0.249 0.000 1.894 661 A HA -0.276 4.049 4.320 0.008 0.000 0.220 661 A C 2.107 179.673 177.584 -0.030 0.000 1.237 661 A CA 2.852 54.830 52.037 -0.098 0.000 0.660 661 A CB -0.763 18.215 19.000 -0.037 0.000 0.835 661 A HN 0.678 nan 8.150 nan 0.000 0.461 662 L N -0.670 120.529 121.223 -0.040 0.000 1.988 662 L HA -0.103 4.242 4.340 0.008 0.000 0.207 662 L C 2.532 179.331 176.870 -0.118 0.000 1.071 662 L CA 2.499 57.332 54.840 -0.012 0.000 0.744 662 L CB -0.648 41.388 42.059 -0.039 0.000 0.893 662 L HN 0.499 nan 8.230 nan 0.000 0.433 663 R N -1.057 119.339 120.500 -0.174 0.000 2.122 663 R HA -0.254 4.090 4.340 0.008 0.000 0.236 663 R C 2.286 178.639 176.300 0.088 0.000 1.129 663 R CA 2.512 58.523 56.100 -0.149 0.000 0.925 663 R CB -0.574 29.655 30.300 -0.117 0.000 0.850 663 R HN 0.353 nan 8.270 nan 0.000 0.431 664 F N 0.122 120.008 119.950 -0.107 0.000 2.161 664 F HA -0.038 4.493 4.527 0.007 0.000 0.300 664 F C 2.498 178.276 175.800 -0.037 0.000 1.089 664 F CA 1.144 59.099 58.000 -0.074 0.000 1.282 664 F CB -1.536 37.414 39.000 -0.084 0.000 1.010 664 F HN 0.280 nan 8.300 nan 0.000 0.485 665 G N 0.360 109.279 108.800 0.198 0.000 2.421 665 G HA2 -0.204 3.761 3.960 0.008 0.000 0.216 665 G HA3 -0.204 3.761 3.960 0.008 0.000 0.216 665 G C 1.893 176.922 174.900 0.216 0.000 1.171 665 G CA 0.736 45.990 45.100 0.257 0.000 0.775 665 G HN 0.335 nan 8.290 nan 0.000 0.543 666 L N 0.114 121.311 121.223 -0.044 0.000 2.079 666 L HA -0.058 4.287 4.340 0.008 0.000 0.210 666 L C 2.863 179.871 176.870 0.230 0.000 1.081 666 L CA 0.708 55.460 54.840 -0.146 0.000 0.752 666 L CB -0.375 41.362 42.059 -0.536 0.000 0.896 666 L HN 0.230 nan 8.230 nan 0.000 0.433 667 I N -0.817 119.879 120.570 0.209 0.000 2.163 667 I HA -0.314 3.861 4.170 0.008 0.000 0.240 667 I C 2.613 178.855 176.117 0.209 0.000 1.081 667 I CA 1.434 62.893 61.300 0.265 0.000 1.353 667 I CB -0.247 37.856 38.000 0.172 0.000 1.054 667 I HN 0.215 nan 8.210 nan 0.000 0.407 668 M N 0.207 119.891 119.600 0.140 0.000 2.106 668 M HA -0.274 4.211 4.480 0.008 0.000 0.259 668 M C 2.338 178.785 176.300 0.244 0.000 1.068 668 M CA 1.883 57.277 55.300 0.158 0.000 1.100 668 M CB -0.459 32.164 32.600 0.039 0.000 1.351 668 M HN 0.258 nan 8.290 nan 0.000 0.404 669 E N 0.454 120.793 120.200 0.232 0.000 2.031 669 E HA -0.213 4.141 4.350 0.008 0.000 0.193 669 E C 1.953 178.667 176.600 0.191 0.000 0.994 669 E CA 1.383 57.917 56.400 0.224 0.000 0.800 669 E CB -0.050 29.817 29.700 0.278 0.000 0.752 669 E HN 0.464 nan 8.360 nan 0.000 0.447 670 A N 0.819 123.760 122.820 0.202 0.000 1.869 670 A HA -0.272 4.052 4.320 0.008 0.000 0.218 670 A C 2.149 179.825 177.584 0.153 0.000 1.203 670 A CA 1.926 54.056 52.037 0.154 0.000 0.638 670 A CB -1.402 17.683 19.000 0.141 0.000 0.831 670 A HN 0.637 nan 8.150 nan 0.000 0.450 671 Y N 0.317 120.673 120.300 0.093 0.000 2.102 671 Y HA -0.351 4.203 4.550 0.008 0.000 0.280 671 Y C 2.664 178.602 175.900 0.063 0.000 1.178 671 Y CA 1.645 59.792 58.100 0.079 0.000 1.146 671 Y CB -0.950 37.565 38.460 0.091 0.000 0.968 671 Y HN 0.405 nan 8.280 nan 0.000 0.504 672 C N 0.769 120.112 119.300 0.072 0.000 2.411 672 C HA -0.167 4.298 4.460 0.008 0.000 0.279 672 C C 2.654 177.600 174.990 -0.074 0.000 1.288 672 C CA 1.068 60.067 59.018 -0.031 0.000 1.764 672 C CB -1.115 26.669 27.740 0.073 0.000 1.974 672 C HN 0.509 nan 8.230 nan 0.000 0.498 673 R N 0.525 121.007 120.500 -0.031 0.000 2.148 673 R HA -0.026 4.319 4.340 0.008 0.000 0.223 673 R C 2.392 178.642 176.300 -0.084 0.000 1.088 673 R CA 1.417 57.499 56.100 -0.029 0.000 0.985 673 R CB -1.080 29.223 30.300 0.006 0.000 0.880 673 R HN 0.621 nan 8.270 nan 0.000 0.451 674 G N -0.351 108.359 108.800 -0.151 0.000 2.421 674 G HA2 -0.142 3.823 3.960 0.008 0.000 0.217 674 G HA3 -0.142 3.823 3.960 0.008 0.000 0.217 674 G C 0.680 175.430 174.900 -0.250 0.000 1.143 674 G CA 0.359 45.331 45.100 -0.213 0.000 0.784 674 G HN 0.289 nan 8.290 nan 0.000 0.541 675 S N -0.458 115.050 115.700 -0.321 0.000 2.317 675 S HA 0.368 4.843 4.470 0.008 0.000 0.144 675 S C 1.349 175.908 174.600 -0.068 0.000 1.660 675 S CA 0.021 58.109 58.200 -0.187 0.000 1.273 675 S CB -0.006 63.076 63.200 -0.197 0.000 1.330 675 S HN 0.147 nan 8.310 nan 0.000 0.395 676 T N 2.581 117.118 114.554 -0.027 0.000 2.594 676 T HA -0.260 4.095 4.350 0.008 0.000 0.266 676 T C 1.655 176.391 174.700 0.059 0.000 1.070 676 T CA 2.221 64.328 62.100 0.013 0.000 1.166 676 T CB -0.599 68.283 68.868 0.023 0.000 0.862 676 T HN 0.795 nan 8.240 nan 0.000 0.436 677 H N 0.079 119.170 119.070 0.034 0.000 2.321 677 H HA -0.117 4.445 4.556 0.010 0.000 0.300 677 H C 2.262 177.667 175.328 0.127 0.000 1.087 677 H CA 2.165 58.258 56.048 0.076 0.000 1.319 677 H CB -0.604 29.217 29.762 0.098 0.000 1.379 677 H HN 0.658 nan 8.280 nan 0.000 0.501 678 H N -0.059 119.101 119.070 0.150 0.000 2.421 678 H HA -0.126 4.434 4.556 0.007 0.000 0.298 678 H C 2.672 177.959 175.328 -0.067 0.000 1.087 678 H CA 1.080 57.173 56.048 0.075 0.000 1.330 678 H CB 0.063 29.904 29.762 0.132 0.000 1.388 678 H HN 0.362 nan 8.280 nan 0.000 0.526 679 M N 0.953 120.510 119.600 -0.071 0.000 2.108 679 M HA -0.211 4.274 4.480 0.008 0.000 0.261 679 M C 1.907 178.111 176.300 -0.160 0.000 1.066 679 M CA 1.792 56.989 55.300 -0.171 0.000 1.107 679 M CB -0.089 32.462 32.600 -0.083 0.000 1.356 679 M HN 0.194 nan 8.290 nan 0.000 0.406 680 K N -0.286 120.039 120.400 -0.124 0.000 2.057 680 K HA -0.134 4.190 4.320 0.008 0.000 0.207 680 K C 1.869 178.402 176.600 -0.113 0.000 1.049 680 K CA 1.665 57.880 56.287 -0.121 0.000 0.931 680 K CB -0.399 32.010 32.500 -0.153 0.000 0.714 680 K HN 0.289 nan 8.250 nan 0.000 0.440 681 V N 1.988 121.831 119.914 -0.118 0.000 2.407 681 V HA -0.229 3.896 4.120 0.008 0.000 0.248 681 V C 2.170 178.254 176.094 -0.017 0.000 1.055 681 V CA 1.579 63.869 62.300 -0.017 0.000 1.049 681 V CB -0.391 31.502 31.823 0.116 0.000 0.662 681 V HN 0.270 nan 8.190 nan 0.000 0.455 682 L N -1.386 119.742 121.223 -0.158 0.000 2.156 682 L HA -0.154 4.190 4.340 0.008 0.000 0.208 682 L C 2.494 179.285 176.870 -0.132 0.000 1.095 682 L CA 1.337 56.007 54.840 -0.284 0.000 0.770 682 L CB -0.529 40.995 42.059 -0.892 0.000 0.914 682 L HN 0.294 nan 8.230 nan 0.000 0.439 683 M N -0.165 119.372 119.600 -0.104 0.000 2.080 683 M HA -0.236 4.249 4.480 0.008 0.000 0.260 683 M C 2.377 178.690 176.300 0.023 0.000 1.068 683 M CA 1.631 56.917 55.300 -0.023 0.000 1.109 683 M CB -0.435 32.148 32.600 -0.027 0.000 1.342 683 M HN 0.033 nan 8.290 nan 0.000 0.405 684 K N 0.893 121.302 120.400 0.016 0.000 2.059 684 K HA -0.215 4.110 4.320 0.008 0.000 0.212 684 K C 1.811 178.454 176.600 0.072 0.000 1.050 684 K CA 1.949 58.259 56.287 0.039 0.000 0.927 684 K CB -0.440 32.083 32.500 0.038 0.000 0.714 684 K HN 0.382 nan 8.250 nan 0.000 0.447 685 Q N -1.210 118.660 119.800 0.117 0.000 2.030 685 Q HA -0.081 4.264 4.340 0.008 0.000 0.204 685 Q C 2.136 178.285 176.000 0.249 0.000 0.986 685 Q CA 1.760 57.684 55.803 0.202 0.000 0.843 685 Q CB -0.506 28.451 28.738 0.366 0.000 0.904 685 Q HN 0.569 nan 8.270 nan 0.000 0.420 686 G N 0.551 109.527 108.800 0.294 0.000 2.422 686 G HA2 -0.279 3.685 3.960 0.008 0.000 0.218 686 G HA3 -0.279 3.685 3.960 0.008 0.000 0.218 686 G C 0.994 175.987 174.900 0.155 0.000 1.146 686 G CA 0.878 46.160 45.100 0.304 0.000 0.769 686 G HN 0.341 nan 8.290 nan 0.000 0.547 687 E N 0.468 120.722 120.200 0.090 0.000 2.118 687 E HA -0.042 4.313 4.350 0.008 0.000 0.195 687 E C 2.864 179.457 176.600 -0.012 0.000 0.992 687 E CA 0.849 57.264 56.400 0.025 0.000 0.804 687 E CB -0.165 29.540 29.700 0.008 0.000 0.741 687 E HN 0.432 nan 8.360 nan 0.000 0.458 688 A N 0.748 123.577 122.820 0.015 0.000 1.930 688 A HA -0.112 4.212 4.320 0.008 0.000 0.217 688 A C 2.124 179.674 177.584 -0.056 0.000 1.175 688 A CA 0.917 52.942 52.037 -0.019 0.000 0.627 688 A CB -0.423 18.590 19.000 0.021 0.000 0.815 688 A HN 0.140 nan 8.150 nan 0.000 0.443 689 L N -0.564 120.667 121.223 0.013 0.000 2.156 689 L HA -0.100 4.245 4.340 0.008 0.000 0.208 689 L C 2.909 179.772 176.870 -0.012 0.000 1.095 689 L CA 1.236 56.090 54.840 0.024 0.000 0.770 689 L CB -0.248 41.916 42.059 0.175 0.000 0.914 689 L HN 0.539 nan 8.230 nan 0.000 0.439 690 S N -0.205 115.500 115.700 0.010 0.000 2.368 690 S HA -0.172 4.303 4.470 0.008 0.000 0.224 690 S C 2.157 176.697 174.600 -0.100 0.000 1.029 690 S CA 1.045 59.240 58.200 -0.009 0.000 0.988 690 S CB 0.001 63.204 63.200 0.005 0.000 0.838 690 S HN 0.218 nan 8.310 nan 0.000 0.462 691 K N 1.093 121.381 120.400 -0.186 0.000 2.026 691 K HA 0.024 4.349 4.320 0.008 0.000 0.208 691 K C 2.183 178.661 176.600 -0.204 0.000 1.048 691 K CA 1.251 57.357 56.287 -0.302 0.000 0.929 691 K CB -0.951 31.259 32.500 -0.482 0.000 0.713 691 K HN 0.448 nan 8.250 nan 0.000 0.439 692 L N 1.057 122.077 121.223 -0.338 0.000 2.079 692 L HA -0.220 4.125 4.340 0.008 0.000 0.210 692 L C 2.511 178.995 176.870 -0.644 0.000 1.081 692 L CA 1.197 55.664 54.840 -0.621 0.000 0.752 692 L CB -0.473 40.871 42.059 -1.191 0.000 0.896 692 L HN 0.090 nan 8.230 nan 0.000 0.433 693 K N 0.768 120.920 120.400 -0.415 0.000 2.063 693 K HA -0.149 4.176 4.320 0.008 0.000 0.208 693 K C 1.970 178.619 176.600 0.082 0.000 1.048 693 K CA 1.784 58.098 56.287 0.045 0.000 0.928 693 K CB -0.375 32.237 32.500 0.187 0.000 0.713 693 K HN 0.236 nan 8.250 nan 0.000 0.442 694 A N 0.158 123.005 122.820 0.045 0.000 1.968 694 A HA -0.012 4.313 4.320 0.008 0.000 0.217 694 A C 2.092 179.777 177.584 0.169 0.000 1.169 694 A CA 1.276 53.383 52.037 0.116 0.000 0.638 694 A CB -0.546 18.527 19.000 0.121 0.000 0.812 694 A HN 0.346 nan 8.150 nan 0.000 0.446 695 L N 0.125 121.444 121.223 0.160 0.000 2.109 695 L HA -0.065 4.280 4.340 0.008 0.000 0.207 695 L C 1.959 178.931 176.870 0.170 0.000 1.086 695 L CA 1.986 56.926 54.840 0.167 0.000 0.760 695 L CB -0.635 41.520 42.059 0.161 0.000 0.910 695 L HN 0.377 nan 8.230 nan 0.000 0.437 696 N N 0.018 118.800 118.700 0.137 0.000 2.120 696 N HA -0.204 4.540 4.740 0.008 0.000 0.188 696 N C 1.463 177.056 175.510 0.139 0.000 1.024 696 N CA 1.572 54.737 53.050 0.192 0.000 0.852 696 N CB -0.186 38.538 38.487 0.395 0.000 1.003 696 N HN 0.378 nan 8.380 nan 0.000 0.424 697 D N -0.258 120.230 120.400 0.146 0.000 2.123 697 D HA -0.171 4.473 4.640 0.008 0.000 0.196 697 D C 1.725 178.063 176.300 0.064 0.000 0.992 697 D CA 0.683 54.742 54.000 0.098 0.000 0.833 697 D CB -0.559 40.308 40.800 0.111 0.000 0.954 697 D HN 0.342 nan 8.370 nan 0.000 0.455 698 F N 1.501 121.442 119.950 -0.016 0.000 2.102 698 F HA -0.224 4.309 4.527 0.009 0.000 0.298 698 F C 2.157 177.894 175.800 -0.106 0.000 1.105 698 F CA 1.105 59.076 58.000 -0.048 0.000 1.239 698 F CB -0.319 38.652 39.000 -0.049 0.000 0.991 698 F HN -0.209 nan 8.300 nan 0.000 0.474 699 V N 0.888 120.738 119.914 -0.108 0.000 2.332 699 V HA -0.332 3.793 4.120 0.008 0.000 0.248 699 V C 2.418 178.252 176.094 -0.433 0.000 1.055 699 V CA 2.371 64.443 62.300 -0.380 0.000 1.038 699 V CB -0.816 30.803 31.823 -0.339 0.000 0.651 699 V HN 0.303 nan 8.190 nan 0.000 0.450 700 K N -0.395 119.864 120.400 -0.234 0.000 2.063 700 K HA -0.158 4.167 4.320 0.008 0.000 0.208 700 K C 2.037 178.520 176.600 -0.194 0.000 1.048 700 K CA 1.573 57.761 56.287 -0.165 0.000 0.928 700 K CB -0.390 32.072 32.500 -0.063 0.000 0.713 700 K HN 0.337 nan 8.250 nan 0.000 0.442 701 V N 0.387 120.159 119.914 -0.237 0.000 2.244 701 V HA -0.256 3.869 4.120 0.008 0.000 0.244 701 V C 2.328 178.235 176.094 -0.312 0.000 1.042 701 V CA 2.014 64.174 62.300 -0.234 0.000 1.006 701 V CB -0.535 31.159 31.823 -0.215 0.000 0.641 701 V HN 0.394 nan 8.190 nan 0.000 0.446 702 S N 1.007 116.378 115.700 -0.548 0.000 2.381 702 S HA -0.289 4.185 4.470 0.008 0.000 0.230 702 S C 2.239 176.656 174.600 -0.305 0.000 1.052 702 S CA 2.675 60.547 58.200 -0.547 0.000 1.068 702 S CB -0.572 62.050 63.200 -0.964 0.000 0.918 702 S HN 0.828 nan 8.310 nan 0.000 0.448 703 S N 0.182 115.705 115.700 -0.295 0.000 2.442 703 S HA -0.026 4.448 4.470 0.008 0.000 0.236 703 S C 1.746 176.300 174.600 -0.076 0.000 1.007 703 S CA 0.711 58.826 58.200 -0.141 0.000 0.965 703 S CB -0.464 62.662 63.200 -0.122 0.000 0.773 703 S HN 0.534 nan 8.310 nan 0.000 0.504 704 Q N 0.876 120.616 119.800 -0.100 0.000 2.435 704 Q HA 0.219 4.563 4.340 0.008 0.000 0.207 704 Q C 1.196 177.162 176.000 -0.056 0.000 0.956 704 Q CA 0.885 56.651 55.803 -0.062 0.000 0.917 704 Q CB -0.081 28.620 28.738 -0.062 0.000 0.997 704 Q HN 0.665 nan 8.270 nan 0.000 0.497 705 K N -0.987 119.368 120.400 -0.075 0.000 2.402 705 K HA 0.141 4.466 4.320 0.008 0.000 0.204 705 K C 0.219 176.792 176.600 -0.046 0.000 1.056 705 K CA 0.102 56.353 56.287 -0.060 0.000 1.069 705 K CB 1.337 33.792 32.500 -0.076 0.000 0.888 705 K HN -0.047 nan 8.250 nan 0.000 0.546 706 T N -0.529 114.000 114.554 -0.042 0.000 2.718 706 T HA 0.119 4.473 4.350 0.008 0.000 0.306 706 T C -1.294 173.407 174.700 0.003 0.000 1.485 706 T CA -0.679 61.408 62.100 -0.021 0.000 0.997 706 T CB 1.170 70.025 68.868 -0.023 0.000 1.504 706 T HN 0.134 nan 8.240 nan 0.000 0.497 707 T N 0.627 115.189 114.554 0.013 0.000 2.918 707 T HA 0.294 4.649 4.350 0.008 0.000 0.302 707 T C 1.335 176.070 174.700 0.058 0.000 1.045 707 T CA -0.049 62.066 62.100 0.026 0.000 1.114 707 T CB 0.942 69.817 68.868 0.011 0.000 0.965 707 T HN 0.830 nan 8.240 nan 0.000 0.540 708 K N 2.071 122.516 120.400 0.076 0.000 2.113 708 K HA -0.070 4.255 4.320 0.008 0.000 0.208 708 K C -0.902 175.743 176.600 0.075 0.000 1.047 708 K CA 1.448 57.810 56.287 0.126 0.000 0.928 708 K CB -1.159 31.340 32.500 -0.000 0.000 0.716 708 K HN 0.480 nan 8.250 nan 0.000 0.446 709 P HA -0.139 nan 4.420 nan 0.000 0.217 709 P C 0.758 178.065 177.300 0.011 0.000 1.150 709 P CA 1.345 64.441 63.100 -0.006 0.000 0.832 709 P CB 0.033 31.723 31.700 -0.015 0.000 0.787 710 Q N -1.222 118.595 119.800 0.029 0.000 2.119 710 Q HA -0.079 4.265 4.340 0.008 0.000 0.201 710 Q C 2.013 178.049 176.000 0.059 0.000 0.972 710 Q CA 1.608 57.429 55.803 0.031 0.000 0.847 710 Q CB -0.917 27.837 28.738 0.026 0.000 0.903 710 Q HN 0.232 nan 8.270 nan 0.000 0.433 711 T N 1.245 115.856 114.554 0.095 0.000 2.788 711 T HA -0.160 4.194 4.350 0.008 0.000 0.268 711 T C 1.709 176.512 174.700 0.171 0.000 1.044 711 T CA 1.450 63.624 62.100 0.123 0.000 1.139 711 T CB -0.084 68.809 68.868 0.043 0.000 0.867 711 T HN 0.236 nan 8.240 nan 0.000 0.454 712 K N 0.894 121.383 120.400 0.148 0.000 2.057 712 K HA -0.102 4.223 4.320 0.008 0.000 0.206 712 K C 2.308 178.703 176.600 -0.342 0.000 1.050 712 K CA 1.080 57.354 56.287 -0.022 0.000 0.935 712 K CB 0.019 32.468 32.500 -0.085 0.000 0.715 712 K HN -0.000 nan 8.250 nan 0.000 0.439 713 E N 0.562 120.637 120.200 -0.208 0.000 2.110 713 E HA -0.157 4.198 4.350 0.008 0.000 0.193 713 E C 1.872 178.443 176.600 -0.049 0.000 0.988 713 E CA 1.307 57.613 56.400 -0.157 0.000 0.804 713 E CB -0.053 29.617 29.700 -0.050 0.000 0.745 713 E HN 0.426 nan 8.360 nan 0.000 0.458 714 M N -0.442 119.171 119.600 0.022 0.000 2.394 714 M HA -0.036 4.449 4.480 0.008 0.000 0.264 714 M C 2.217 178.468 176.300 -0.082 0.000 1.073 714 M CA 0.654 55.978 55.300 0.040 0.000 1.111 714 M CB -0.004 32.744 32.600 0.246 0.000 1.401 714 M HN 0.113 nan 8.290 nan 0.000 0.448 715 M N -0.706 118.913 119.600 0.032 0.000 2.156 715 M HA -0.193 4.292 4.480 0.008 0.000 0.264 715 M C 1.816 178.140 176.300 0.039 0.000 1.067 715 M CA 1.776 57.083 55.300 0.011 0.000 1.131 715 M CB -0.271 32.428 32.600 0.165 0.000 1.368 715 M HN 0.189 nan 8.290 nan 0.000 0.416 716 H N 0.860 119.901 119.070 -0.049 0.000 2.319 716 H HA -0.143 4.418 4.556 0.008 0.000 0.299 716 H C 2.018 177.275 175.328 -0.119 0.000 1.092 716 H CA 2.248 58.258 56.048 -0.063 0.000 1.302 716 H CB -0.814 28.934 29.762 -0.023 0.000 1.373 716 H HN 0.472 nan 8.280 nan 0.000 0.497 717 M N -0.955 118.647 119.600 0.003 0.000 2.117 717 M HA -0.175 4.310 4.480 0.008 0.000 0.262 717 M C 2.780 178.955 176.300 -0.208 0.000 1.065 717 M CA 1.423 56.669 55.300 -0.090 0.000 1.114 717 M CB -0.550 31.992 32.600 -0.095 0.000 1.361 717 M HN 0.340 nan 8.290 nan 0.000 0.408 718 C N 1.150 120.247 119.300 -0.339 0.000 2.446 718 C HA -0.120 4.345 4.460 0.008 0.000 0.277 718 C C 2.758 177.352 174.990 -0.660 0.000 1.275 718 C CA 0.942 59.614 59.018 -0.576 0.000 1.727 718 C CB -0.677 26.611 27.740 -0.752 0.000 2.010 718 C HN 0.544 nan 8.230 nan 0.000 0.486 719 M N -0.017 119.343 119.600 -0.400 0.000 2.213 719 M HA -0.112 4.372 4.480 0.008 0.000 0.263 719 M C 2.285 178.515 176.300 -0.116 0.000 1.062 719 M CA 1.610 56.777 55.300 -0.222 0.000 1.105 719 M CB -0.479 32.064 32.600 -0.094 0.000 1.385 719 M HN 0.374 nan 8.290 nan 0.000 0.417 720 R N 0.150 120.578 120.500 -0.120 0.000 2.280 720 R HA 0.024 4.368 4.340 0.008 0.000 0.207 720 R C 0.373 176.646 176.300 -0.045 0.000 1.043 720 R CA 0.215 56.275 56.100 -0.067 0.000 1.006 720 R CB -0.219 30.047 30.300 -0.058 0.000 0.885 720 R HN 0.538 nan 8.270 nan 0.000 0.467 721 Q N 0.955 120.711 119.800 -0.074 0.000 2.315 721 Q HA -0.090 4.255 4.340 0.008 0.000 0.289 721 Q C 0.672 176.713 176.000 0.069 0.000 1.044 721 Q CA 0.216 56.014 55.803 -0.008 0.000 0.920 721 Q CB 0.678 29.406 28.738 -0.017 0.000 1.214 721 Q HN 0.219 nan 8.270 nan 0.000 0.392 722 E N 0.765 120.998 120.200 0.055 0.000 2.086 722 E HA -0.296 4.059 4.350 0.008 0.000 0.205 722 E C 1.966 178.613 176.600 0.080 0.000 1.027 722 E CA 2.177 58.611 56.400 0.058 0.000 0.830 722 E CB -0.049 29.677 29.700 0.042 0.000 0.751 722 E HN 0.861 nan 8.360 nan 0.000 0.456 723 T N -1.531 113.084 114.554 0.101 0.000 2.803 723 T HA -0.205 4.149 4.350 0.008 0.000 0.269 723 T C 1.710 176.430 174.700 0.034 0.000 1.052 723 T CA 1.255 63.392 62.100 0.062 0.000 1.136 723 T CB -0.415 68.488 68.868 0.059 0.000 0.864 723 T HN 0.156 nan 8.240 nan 0.000 0.467 724 Y N 0.784 121.064 120.300 -0.033 0.000 2.231 724 Y HA 0.269 4.825 4.550 0.010 0.000 0.294 724 Y C 2.839 178.713 175.900 -0.044 0.000 1.120 724 Y CA 0.619 58.693 58.100 -0.043 0.000 1.141 724 Y CB -0.328 38.096 38.460 -0.060 0.000 1.022 724 Y HN 0.062 nan 8.280 nan 0.000 0.523 725 M N 0.005 119.675 119.600 0.117 0.000 2.213 725 M HA -0.199 4.286 4.480 0.008 0.000 0.263 725 M C 1.739 178.042 176.300 0.006 0.000 1.062 725 M CA 1.600 56.920 55.300 0.034 0.000 1.105 725 M CB -0.901 31.710 32.600 0.019 0.000 1.385 725 M HN 0.394 nan 8.290 nan 0.000 0.417 726 E N 0.130 120.346 120.200 0.026 0.000 2.051 726 E HA -0.055 4.300 4.350 0.008 0.000 0.189 726 E C 2.151 178.754 176.600 0.004 0.000 0.979 726 E CA 1.127 57.542 56.400 0.026 0.000 0.803 726 E CB -0.048 29.676 29.700 0.039 0.000 0.761 726 E HN 0.470 nan 8.360 nan 0.000 0.451 727 A N 1.436 124.242 122.820 -0.024 0.000 1.902 727 A HA -0.114 4.211 4.320 0.008 0.000 0.217 727 A C 2.080 179.649 177.584 -0.025 0.000 1.181 727 A CA 1.017 53.024 52.037 -0.050 0.000 0.623 727 A CB -0.537 18.380 19.000 -0.138 0.000 0.818 727 A HN 0.130 nan 8.150 nan 0.000 0.443 728 L N -0.014 121.203 121.223 -0.010 0.000 2.612 728 L HA 0.137 4.482 4.340 0.008 0.000 0.230 728 L C 0.227 177.150 176.870 0.088 0.000 1.140 728 L CA -0.254 54.615 54.840 0.049 0.000 0.896 728 L CB -0.132 41.956 42.059 0.049 0.000 1.065 728 L HN 0.116 nan 8.230 nan 0.000 0.447 729 S N -1.713 113.967 115.700 -0.034 0.000 2.607 729 S HA 0.455 4.930 4.470 0.008 0.000 0.303 729 S C -0.359 174.101 174.600 -0.233 0.000 1.086 729 S CA -0.573 57.496 58.200 -0.218 0.000 0.995 729 S CB 0.894 63.778 63.200 -0.527 0.000 1.084 729 S HN 0.320 nan 8.310 nan 0.000 0.507 730 H N 0.254 119.360 119.070 0.061 0.000 2.680 730 H HA -0.150 4.409 4.556 0.005 0.000 0.328 730 H C -0.610 174.719 175.328 0.001 0.000 1.139 730 H CA 0.791 56.850 56.048 0.019 0.000 1.124 730 H CB -2.351 27.430 29.762 0.032 0.000 1.584 730 H HN 0.541 nan 8.280 nan 0.000 0.410 731 L N -2.345 118.890 121.223 0.020 0.000 2.283 731 L HA 0.681 5.026 4.340 0.008 0.000 0.259 731 L C 0.152 176.985 176.870 -0.062 0.000 1.027 731 L CA -1.324 53.514 54.840 -0.003 0.000 0.828 731 L CB 1.924 43.978 42.059 -0.009 0.000 1.380 731 L HN 0.021 nan 8.230 nan 0.000 0.425 732 Q N 0.742 120.528 119.800 -0.024 0.000 2.235 732 Q HA 0.329 4.673 4.340 0.008 0.000 0.250 732 Q C -0.461 175.500 176.000 -0.064 0.000 0.909 732 Q CA -0.573 55.195 55.803 -0.057 0.000 0.910 732 Q CB 1.893 30.637 28.738 0.012 0.000 1.223 732 Q HN 0.718 nan 8.270 nan 0.000 0.432 733 S N 2.612 118.240 115.700 -0.119 0.000 2.516 733 S HA 0.090 4.564 4.470 0.008 0.000 0.282 733 S C -1.751 172.820 174.600 -0.049 0.000 1.286 733 S CA -1.335 56.801 58.200 -0.106 0.000 1.066 733 S CB 0.463 63.593 63.200 -0.115 0.000 0.884 733 S HN 0.386 nan 8.310 nan 0.000 0.491 734 P HA -0.044 nan 4.420 nan 0.000 0.220 734 P C 1.124 178.421 177.300 -0.005 0.000 1.148 734 P CA 0.906 63.954 63.100 -0.087 0.000 0.803 734 P CB 0.046 31.415 31.700 -0.551 0.000 0.782 735 L N -1.588 119.645 121.223 0.017 0.000 2.201 735 L HA -0.041 4.303 4.340 0.008 0.000 0.212 735 L C 0.560 177.605 176.870 0.293 0.000 1.105 735 L CA 1.075 56.013 54.840 0.164 0.000 0.775 735 L CB -0.429 41.691 42.059 0.102 0.000 0.913 735 L HN 0.014 nan 8.230 nan 0.000 0.440 736 D N -1.728 118.741 120.400 0.114 0.000 2.300 736 D HA 0.089 4.734 4.640 0.008 0.000 0.218 736 D C -2.201 174.012 176.300 -0.144 0.000 1.326 736 D CA -1.228 52.819 54.000 0.079 0.000 0.942 736 D CB 1.357 42.203 40.800 0.078 0.000 1.495 736 D HN -0.285 nan 8.370 nan 0.000 0.545 737 P HA -0.098 nan 4.420 nan 0.000 0.225 737 P C 0.950 178.186 177.300 -0.107 0.000 1.148 737 P CA 0.678 63.537 63.100 -0.401 0.000 0.779 737 P CB 0.144 31.472 31.700 -0.620 0.000 0.780 738 S N -2.498 113.173 115.700 -0.048 0.000 2.603 738 S HA 0.050 4.524 4.470 0.008 0.000 0.220 738 S C 0.861 175.424 174.600 -0.061 0.000 0.967 738 S CA 0.015 58.235 58.200 0.033 0.000 0.920 738 S CB -1.105 62.134 63.200 0.064 0.000 0.773 738 S HN -0.006 nan 8.310 nan 0.000 0.529 739 T N 3.497 117.994 114.554 -0.094 0.000 2.733 739 T HA 0.479 4.834 4.350 0.008 0.000 0.294 739 T C -0.322 174.271 174.700 -0.179 0.000 0.956 739 T CA -0.473 61.555 62.100 -0.120 0.000 0.987 739 T CB 0.743 69.559 68.868 -0.086 0.000 0.920 739 T HN 0.269 nan 8.240 nan 0.000 0.470 740 L N 4.674 125.773 121.223 -0.208 0.000 2.290 740 L HA 0.433 4.777 4.340 0.008 0.000 0.284 740 L C -0.060 176.680 176.870 -0.217 0.000 1.078 740 L CA -0.664 54.043 54.840 -0.223 0.000 0.815 740 L CB 0.549 42.465 42.059 -0.237 0.000 1.162 740 L HN 0.423 nan 8.230 nan 0.000 0.435 741 L N 4.181 125.227 121.223 -0.295 0.000 2.272 741 L HA 0.282 4.627 4.340 0.008 0.000 0.284 741 L C 0.740 177.457 176.870 -0.254 0.000 1.045 741 L CA -0.438 54.078 54.840 -0.541 0.000 0.842 741 L CB 0.757 42.122 42.059 -1.156 0.000 1.224 741 L HN 0.670 nan 8.230 nan 0.000 0.430 742 E N 2.789 122.972 120.200 -0.028 0.000 2.226 742 E HA 0.051 4.406 4.350 0.008 0.000 0.238 742 E C 0.109 176.757 176.600 0.081 0.000 0.859 742 E CA 0.253 56.730 56.400 0.130 0.000 1.114 742 E CB 0.122 29.928 29.700 0.177 0.000 1.184 742 E HN 0.526 nan 8.360 nan 0.000 0.517 743 E N 2.460 122.742 120.200 0.138 0.000 2.130 743 E HA 0.245 4.600 4.350 0.008 0.000 0.284 743 E C 0.083 176.715 176.600 0.053 0.000 1.018 743 E CA -0.423 56.011 56.400 0.057 0.000 0.817 743 E CB 1.827 31.556 29.700 0.049 0.000 1.078 743 E HN -0.017 nan 8.360 nan 0.000 0.396 744 V N 3.292 123.144 119.914 -0.105 0.000 2.585 744 V HA -0.031 4.093 4.120 0.008 0.000 0.296 744 V C -0.352 175.594 176.094 -0.246 0.000 1.035 744 V CA -0.476 61.553 62.300 -0.451 0.000 1.084 744 V CB 0.057 31.580 31.823 -0.500 0.000 0.953 744 V HN 0.828 nan 8.190 nan 0.000 0.483 745 C N 7.163 126.322 119.300 -0.235 0.000 2.192 745 C HA 0.276 4.740 4.460 0.008 0.000 0.337 745 C C 1.764 176.644 174.990 -0.184 0.000 1.103 745 C CA -0.809 58.121 59.018 -0.146 0.000 1.581 745 C CB -1.050 26.643 27.740 -0.078 0.000 2.070 745 C HN 0.860 nan 8.230 nan 0.000 0.485 746 V N 2.547 122.330 119.914 -0.220 0.000 2.317 746 V HA -0.227 3.898 4.120 0.008 0.000 0.251 746 V C 2.534 178.302 176.094 -0.543 0.000 1.065 746 V CA 1.925 64.018 62.300 -0.344 0.000 1.049 746 V CB -0.279 31.348 31.823 -0.327 0.000 0.651 746 V HN 0.777 nan 8.190 nan 0.000 0.450 747 E N -0.544 119.451 120.200 -0.341 0.000 2.150 747 E HA -0.176 4.179 4.350 0.008 0.000 0.193 747 E C 2.277 178.849 176.600 -0.048 0.000 0.985 747 E CA 0.853 57.107 56.400 -0.243 0.000 0.814 747 E CB -0.171 29.485 29.700 -0.072 0.000 0.752 747 E HN 0.552 nan 8.360 nan 0.000 0.466 748 Q N -0.454 119.331 119.800 -0.025 0.000 2.432 748 Q HA 0.019 4.364 4.340 0.008 0.000 0.205 748 Q C 0.608 176.714 176.000 0.176 0.000 0.945 748 Q CA 0.043 55.894 55.803 0.081 0.000 0.924 748 Q CB -0.291 28.501 28.738 0.090 0.000 1.016 748 Q HN 0.195 nan 8.270 nan 0.000 0.503 749 C N 0.493 119.871 119.300 0.130 0.000 2.652 749 C HA 0.524 4.989 4.460 0.008 0.000 0.412 749 C C 1.157 176.357 174.990 0.350 0.000 1.294 749 C CA -0.157 59.011 59.018 0.250 0.000 2.127 749 C CB 0.512 28.328 27.740 0.126 0.000 2.691 749 C HN 0.365 nan 8.230 nan 0.000 0.615 750 T N 0.531 115.293 114.554 0.347 0.000 2.637 750 T HA 0.714 5.069 4.350 0.008 0.000 0.303 750 T C -1.766 173.147 174.700 0.354 0.000 1.288 750 T CA -0.436 61.806 62.100 0.238 0.000 1.040 750 T CB 0.776 69.609 68.868 -0.058 0.000 1.644 750 T HN 0.790 nan 8.240 nan 0.000 0.480 751 F N 0.277 120.283 119.950 0.092 0.000 2.626 751 F HA 0.838 5.369 4.527 0.008 0.000 0.311 751 F C -0.877 174.948 175.800 0.042 0.000 1.088 751 F CA -1.351 56.721 58.000 0.120 0.000 0.949 751 F CB 1.404 40.474 39.000 0.115 0.000 1.322 751 F HN 0.464 nan 8.300 nan 0.000 0.461 752 M N 2.126 121.796 119.600 0.117 0.000 2.367 752 M HA 0.265 4.750 4.480 0.008 0.000 0.339 752 M C -0.359 175.988 176.300 0.078 0.000 1.177 752 M CA -0.540 54.749 55.300 -0.019 0.000 1.068 752 M CB 1.140 33.786 32.600 0.077 0.000 1.602 752 M HN 0.597 nan 8.290 nan 0.000 0.457 753 D N 1.515 121.899 120.400 -0.027 0.000 2.519 753 D HA 0.035 4.680 4.640 0.008 0.000 0.238 753 D C -0.005 176.338 176.300 0.071 0.000 1.192 753 D CA 0.211 54.237 54.000 0.043 0.000 0.835 753 D CB -0.029 40.745 40.800 -0.043 0.000 0.975 753 D HN 0.513 nan 8.370 nan 0.000 0.490 754 S N -0.142 115.611 115.700 0.088 0.000 2.516 754 S HA 0.416 4.891 4.470 0.008 0.000 0.268 754 S C 0.554 175.199 174.600 0.075 0.000 1.251 754 S CA -0.715 57.525 58.200 0.066 0.000 1.153 754 S CB 2.218 65.449 63.200 0.051 0.000 1.009 754 S HN 0.012 nan 8.310 nan 0.000 0.479 755 K N 0.817 121.256 120.400 0.065 0.000 10.650 755 K HA -0.220 4.105 4.320 0.008 0.000 0.497 755 K C 1.030 177.664 176.600 0.057 0.000 0.451 755 K CA 2.198 58.517 56.287 0.053 0.000 1.788 755 K CB -1.359 31.168 32.500 0.045 0.000 0.796 755 K HN 0.570 nan 8.250 nan 0.000 1.210 756 M N 1.141 120.778 119.600 0.060 0.000 2.659 756 M HA 0.073 4.558 4.480 0.008 0.000 0.243 756 M C -0.172 176.180 176.300 0.087 0.000 1.111 756 M CA 0.925 56.258 55.300 0.056 0.000 1.070 756 M CB -0.617 32.005 32.600 0.037 0.000 1.525 756 M HN 0.308 nan 8.290 nan 0.000 0.517 757 K N -0.393 120.083 120.400 0.127 0.000 3.653 757 K HA -0.124 4.201 4.320 0.008 0.000 0.275 757 K C -2.654 174.088 176.600 0.237 0.000 0.962 757 K CA 0.160 56.572 56.287 0.208 0.000 0.773 757 K CB -1.815 30.751 32.500 0.109 0.000 1.463 757 K HN 0.220 nan 8.250 nan 0.000 0.450 758 P HA 0.007 nan 4.420 nan 0.000 0.268 758 P C -0.206 177.306 177.300 0.353 0.000 1.205 758 P CA -0.553 62.694 63.100 0.245 0.000 0.771 758 P CB 0.566 32.386 31.700 0.199 0.000 0.858 759 L N 3.889 125.346 121.223 0.390 0.000 2.326 759 L HA 0.337 4.681 4.340 0.008 0.000 0.278 759 L C -0.232 176.887 176.870 0.415 0.000 1.092 759 L CA -0.156 54.932 54.840 0.413 0.000 0.810 759 L CB -0.166 42.116 42.059 0.370 0.000 1.153 759 L HN 0.481 nan 8.230 nan 0.000 0.439 760 W N 6.401 127.810 121.300 0.181 0.000 2.362 760 W HA 0.399 5.063 4.660 0.008 0.000 0.316 760 W C -1.559 175.013 176.519 0.089 0.000 1.024 760 W CA -0.697 56.721 57.345 0.122 0.000 1.270 760 W CB 1.430 30.943 29.460 0.088 0.000 1.273 760 W HN 0.192 nan 8.180 nan 0.000 0.424 761 I N 7.735 128.300 120.570 -0.008 0.000 2.382 761 I HA 0.241 4.415 4.170 0.008 0.000 0.286 761 I C 0.179 176.196 176.117 -0.167 0.000 1.002 761 I CA -1.070 60.199 61.300 -0.051 0.000 1.135 761 I CB 1.224 39.206 38.000 -0.029 0.000 1.288 761 I HN 0.261 nan 8.210 nan 0.000 0.448 762 M N 5.865 125.372 119.600 -0.154 0.000 2.342 762 M HA 0.461 4.945 4.480 0.008 0.000 0.332 762 M C -0.807 175.308 176.300 -0.308 0.000 1.166 762 M CA -0.487 54.744 55.300 -0.115 0.000 1.086 762 M CB 1.190 33.808 32.600 0.028 0.000 1.541 762 M HN 0.300 nan 8.290 nan 0.000 0.462 763 Y N -0.742 119.539 120.300 -0.031 0.000 2.588 763 Y HA 0.589 5.143 4.550 0.006 0.000 0.343 763 Y C 0.067 175.955 175.900 -0.020 0.000 1.065 763 Y CA -0.572 57.508 58.100 -0.032 0.000 1.038 763 Y CB 2.212 40.645 38.460 -0.045 0.000 1.297 763 Y HN 0.767 nan 8.280 nan 0.000 0.467 764 S N 0.123 115.932 115.700 0.180 0.000 2.638 764 S HA 0.847 5.322 4.470 0.008 0.000 0.274 764 S C -1.293 173.363 174.600 0.094 0.000 1.157 764 S CA -0.815 57.448 58.200 0.106 0.000 0.826 764 S CB 1.934 65.172 63.200 0.062 0.000 1.139 764 S HN 0.644 nan 8.310 nan 0.000 0.474 765 S N -0.431 115.305 115.700 0.059 0.000 2.614 765 S HA 0.375 4.850 4.470 0.008 0.000 0.275 765 S C 0.098 174.715 174.600 0.030 0.000 1.161 765 S CA -0.603 57.624 58.200 0.046 0.000 0.969 765 S CB 1.396 64.608 63.200 0.021 0.000 1.059 765 S HN 0.777 nan 8.310 nan 0.000 0.482 766 E N 2.498 122.717 120.200 0.032 0.000 2.152 766 E HA -0.101 4.254 4.350 0.008 0.000 0.192 766 E C 1.280 177.886 176.600 0.010 0.000 0.983 766 E CA 0.748 57.160 56.400 0.021 0.000 0.818 766 E CB 0.045 29.760 29.700 0.025 0.000 0.758 766 E HN 0.647 nan 8.360 nan 0.000 0.467 767 E N 1.208 121.414 120.200 0.010 0.000 2.158 767 E HA -0.025 4.330 4.350 0.008 0.000 0.191 767 E C 1.722 178.313 176.600 -0.016 0.000 0.982 767 E CA 1.198 57.598 56.400 0.000 0.000 0.823 767 E CB -0.083 29.617 29.700 -0.000 0.000 0.766 767 E HN 0.218 nan 8.360 nan 0.000 0.468 768 A N -0.326 122.480 122.820 -0.023 0.000 2.132 768 A HA 0.459 4.784 4.320 0.008 0.000 0.213 768 A C 1.496 179.057 177.584 -0.038 0.000 1.154 768 A CA 1.018 53.032 52.037 -0.038 0.000 0.753 768 A CB -0.686 18.288 19.000 -0.045 0.000 0.826 768 A HN 0.433 nan 8.150 nan 0.000 0.469 769 G N -0.597 108.184 108.800 -0.032 0.000 2.547 769 G HA2 -0.315 3.650 3.960 0.008 0.000 0.271 769 G HA3 -0.315 3.650 3.960 0.008 0.000 0.271 769 G C 1.080 175.970 174.900 -0.017 0.000 1.209 769 G CA 0.425 45.499 45.100 -0.043 0.000 0.959 769 G HN 0.639 nan 8.290 nan 0.000 0.563 770 S N 0.468 116.156 115.700 -0.020 0.000 2.419 770 S HA 0.113 4.588 4.470 0.008 0.000 0.233 770 S C 2.479 177.103 174.600 0.040 0.000 1.016 770 S CA 2.011 60.223 58.200 0.020 0.000 0.974 770 S CB -0.318 62.898 63.200 0.026 0.000 0.786 770 S HN 1.656 nan 8.310 nan 0.000 0.492 771 A N 0.653 123.493 122.820 0.032 0.000 2.251 771 A HA 0.421 4.746 4.320 0.008 0.000 0.209 771 A C 1.895 179.491 177.584 0.021 0.000 1.187 771 A CA 0.637 52.705 52.037 0.051 0.000 0.823 771 A CB -0.405 18.651 19.000 0.094 0.000 0.846 771 A HN 0.468 nan 8.150 nan 0.000 0.486 772 G N -0.412 108.393 108.800 0.008 0.000 2.813 772 G HA2 -0.019 3.946 3.960 0.008 0.000 0.209 772 G HA3 -0.019 3.946 3.960 0.008 0.000 0.209 772 G C 0.317 175.235 174.900 0.029 0.000 1.150 772 G CA -0.208 44.893 45.100 0.003 0.000 0.785 772 G HN 0.368 nan 8.290 nan 0.000 0.535 773 N N 1.163 119.886 118.700 0.039 0.000 2.602 773 N HA 0.344 5.089 4.740 0.008 0.000 0.238 773 N C -0.295 175.241 175.510 0.043 0.000 1.084 773 N CA 0.036 53.117 53.050 0.053 0.000 0.952 773 N CB 1.430 39.949 38.487 0.053 0.000 1.244 773 N HN 0.160 nan 8.380 nan 0.000 0.512 774 V N -1.328 118.618 119.914 0.055 0.000 3.102 774 V HA 1.016 5.141 4.120 0.008 0.000 0.312 774 V C 0.372 176.492 176.094 0.043 0.000 1.135 774 V CA -1.064 61.249 62.300 0.022 0.000 1.022 774 V CB 1.832 33.651 31.823 -0.006 0.000 1.056 774 V HN 0.356 nan 8.190 nan 0.000 0.436 775 G N 1.081 109.849 108.800 -0.052 0.000 2.612 775 G HA2 0.821 4.785 3.960 0.008 0.000 0.298 775 G HA3 0.821 4.785 3.960 0.008 0.000 0.298 775 G C -1.114 173.689 174.900 -0.161 0.000 1.336 775 G CA -0.671 44.345 45.100 -0.139 0.000 0.953 775 G HN 1.500 nan 8.290 nan 0.000 0.482 776 I N -1.713 118.781 120.570 -0.128 0.000 2.892 776 I HA 0.761 4.936 4.170 0.008 0.000 0.306 776 I C -1.200 174.835 176.117 -0.136 0.000 1.078 776 I CA -1.539 59.705 61.300 -0.094 0.000 1.032 776 I CB 2.571 40.589 38.000 0.031 0.000 1.229 776 I HN 0.286 nan 8.210 nan 0.000 0.435 777 I N 3.423 123.957 120.570 -0.060 0.000 2.433 777 I HA 0.374 4.548 4.170 0.008 0.000 0.292 777 I C -1.156 175.056 176.117 0.159 0.000 1.001 777 I CA -0.531 60.792 61.300 0.038 0.000 1.119 777 I CB 2.040 40.059 38.000 0.032 0.000 1.289 777 I HN 0.480 nan 8.210 nan 0.000 0.438 778 F N 7.110 127.101 119.950 0.068 0.000 2.404 778 F HA 0.500 5.032 4.527 0.010 0.000 0.354 778 F C -0.316 175.535 175.800 0.085 0.000 1.122 778 F CA -0.372 57.668 58.000 0.066 0.000 1.080 778 F CB 0.721 39.766 39.000 0.075 0.000 1.131 778 F HN 0.292 nan 8.300 nan 0.000 0.471 779 K N 5.070 125.181 120.400 -0.483 0.000 2.376 779 K HA 0.340 4.665 4.320 0.008 0.000 0.257 779 K C -1.606 174.629 176.600 -0.609 0.000 0.939 779 K CA -0.868 55.203 56.287 -0.360 0.000 0.809 779 K CB 1.406 33.824 32.500 -0.135 0.000 1.121 779 K HN 0.768 nan 8.250 nan 0.000 0.425 780 N N 1.636 120.101 118.700 -0.392 0.000 2.295 780 N HA 0.507 5.251 4.740 0.008 0.000 0.293 780 N C 0.015 175.470 175.510 -0.091 0.000 1.040 780 N CA 0.255 53.142 53.050 -0.271 0.000 0.840 780 N CB 1.939 40.341 38.487 -0.141 0.000 1.468 780 N HN 0.606 nan 8.380 nan 0.000 0.478 781 G N 1.826 110.582 108.800 -0.073 0.000 2.545 781 G HA2 -0.134 3.831 3.960 0.008 0.000 0.195 781 G HA3 -0.134 3.831 3.960 0.008 0.000 0.195 781 G C -0.764 174.120 174.900 -0.027 0.000 1.009 781 G CA -0.281 44.801 45.100 -0.030 0.000 0.703 781 G HN 0.606 nan 8.290 nan 0.000 0.479 782 D N 0.332 120.706 120.400 -0.042 0.000 2.423 782 D HA 0.531 5.175 4.640 0.008 0.000 0.235 782 D C -1.382 174.901 176.300 -0.029 0.000 1.011 782 D CA -0.348 53.639 54.000 -0.021 0.000 0.963 782 D CB 1.895 42.692 40.800 -0.005 0.000 1.349 782 D HN 0.057 nan 8.370 nan 0.000 0.508 783 D N 0.765 121.158 120.400 -0.012 0.000 2.280 783 D HA 0.188 4.832 4.640 0.008 0.000 0.243 783 D C 0.533 176.830 176.300 -0.005 0.000 1.129 783 D CA -0.175 53.819 54.000 -0.009 0.000 0.848 783 D CB 0.888 41.684 40.800 -0.006 0.000 1.107 783 D HN 0.214 nan 8.370 nan 0.000 0.471 784 L N 3.558 124.781 121.223 -0.000 0.000 2.554 784 L HA 0.186 4.531 4.340 0.008 0.000 0.225 784 L C 2.294 179.172 176.870 0.014 0.000 1.104 784 L CA -0.203 54.646 54.840 0.016 0.000 0.866 784 L CB 0.065 42.134 42.059 0.016 0.000 1.047 784 L HN 0.338 nan 8.230 nan 0.000 0.468 785 R N 0.439 120.940 120.500 0.001 0.000 2.112 785 R HA -0.308 4.036 4.340 0.008 0.000 0.242 785 R C 2.178 178.434 176.300 -0.073 0.000 1.137 785 R CA 2.304 58.391 56.100 -0.023 0.000 0.944 785 R CB -0.461 29.824 30.300 -0.024 0.000 0.857 785 R HN 0.269 nan 8.270 nan 0.000 0.435 786 Q N 1.081 120.812 119.800 -0.115 0.000 2.045 786 Q HA -0.214 4.131 4.340 0.008 0.000 0.206 786 Q C 1.591 177.490 176.000 -0.168 0.000 0.991 786 Q CA 2.158 57.820 55.803 -0.234 0.000 0.851 786 Q CB -0.213 28.369 28.738 -0.259 0.000 0.911 786 Q HN 0.309 nan 8.270 nan 0.000 0.418 787 D N -0.270 120.118 120.400 -0.019 0.000 2.123 787 D HA -0.196 4.448 4.640 0.008 0.000 0.196 787 D C 1.901 178.216 176.300 0.025 0.000 0.992 787 D CA 1.627 55.692 54.000 0.108 0.000 0.833 787 D CB -0.174 40.753 40.800 0.212 0.000 0.954 787 D HN 0.436 nan 8.370 nan 0.000 0.455 788 M N 0.513 120.115 119.600 0.004 0.000 2.117 788 M HA -0.196 4.289 4.480 0.008 0.000 0.262 788 M C 2.164 178.423 176.300 -0.070 0.000 1.065 788 M CA 1.167 56.459 55.300 -0.013 0.000 1.114 788 M CB 0.047 32.659 32.600 0.020 0.000 1.361 788 M HN -0.002 nan 8.290 nan 0.000 0.408 789 L N 0.075 121.243 121.223 -0.093 0.000 2.027 789 L HA -0.113 4.232 4.340 0.008 0.000 0.206 789 L C 2.123 178.948 176.870 -0.076 0.000 1.074 789 L CA 2.175 56.950 54.840 -0.109 0.000 0.745 789 L CB -1.137 40.856 42.059 -0.111 0.000 0.898 789 L HN 0.294 nan 8.230 nan 0.000 0.433 790 T N 0.212 114.712 114.554 -0.090 0.000 2.635 790 T HA -0.237 4.118 4.350 0.008 0.000 0.267 790 T C 1.974 176.532 174.700 -0.237 0.000 1.040 790 T CA 2.146 64.151 62.100 -0.159 0.000 1.156 790 T CB -0.474 68.126 68.868 -0.445 0.000 0.863 790 T HN 0.315 nan 8.240 nan 0.000 0.430 791 L N 0.709 121.793 121.223 -0.232 0.000 2.131 791 L HA -0.143 4.201 4.340 0.008 0.000 0.210 791 L C 2.916 179.701 176.870 -0.142 0.000 1.092 791 L CA 1.301 56.033 54.840 -0.179 0.000 0.759 791 L CB -0.558 41.395 42.059 -0.177 0.000 0.903 791 L HN 0.357 nan 8.230 nan 0.000 0.435 792 Q N -0.992 118.729 119.800 -0.131 0.000 2.123 792 Q HA -0.138 4.207 4.340 0.008 0.000 0.199 792 Q C 2.239 178.181 176.000 -0.097 0.000 0.966 792 Q CA 1.011 56.728 55.803 -0.143 0.000 0.845 792 Q CB -0.033 28.598 28.738 -0.179 0.000 0.907 792 Q HN 0.460 nan 8.270 nan 0.000 0.439 793 M N 0.017 119.597 119.600 -0.034 0.000 2.319 793 M HA -0.050 4.435 4.480 0.008 0.000 0.265 793 M C 2.008 178.325 176.300 0.029 0.000 1.068 793 M CA 1.096 56.453 55.300 0.095 0.000 1.118 793 M CB -0.439 32.313 32.600 0.254 0.000 1.395 793 M HN 0.240 nan 8.290 nan 0.000 0.435 794 I N -0.216 120.317 120.570 -0.062 0.000 2.233 794 I HA -0.301 3.874 4.170 0.008 0.000 0.243 794 I C 2.570 178.589 176.117 -0.163 0.000 1.093 794 I CA 1.095 62.326 61.300 -0.116 0.000 1.380 794 I CB -0.426 37.544 38.000 -0.049 0.000 1.067 794 I HN 0.280 nan 8.210 nan 0.000 0.413 795 Q N 1.361 121.087 119.800 -0.124 0.000 2.096 795 Q HA -0.265 4.080 4.340 0.008 0.000 0.204 795 Q C 2.172 178.071 176.000 -0.168 0.000 0.982 795 Q CA 1.938 57.666 55.803 -0.125 0.000 0.850 795 Q CB -0.341 28.329 28.738 -0.113 0.000 0.901 795 Q HN 0.416 nan 8.270 nan 0.000 0.422 796 L N -0.207 120.912 121.223 -0.174 0.000 2.083 796 L HA -0.114 4.230 4.340 0.008 0.000 0.209 796 L C 2.085 178.787 176.870 -0.280 0.000 1.083 796 L CA 1.841 56.557 54.840 -0.207 0.000 0.752 796 L CB -0.389 41.559 42.059 -0.185 0.000 0.899 796 L HN 0.409 nan 8.230 nan 0.000 0.433 797 M N -0.973 118.421 119.600 -0.344 0.000 2.086 797 M HA -0.205 4.279 4.480 0.008 0.000 0.261 797 M C 2.023 177.641 176.300 -1.136 0.000 1.067 797 M CA 2.020 56.821 55.300 -0.831 0.000 1.116 797 M CB -0.654 31.296 32.600 -1.082 0.000 1.348 797 M HN 0.266 nan 8.290 nan 0.000 0.407 798 D N 0.286 120.313 120.400 -0.621 0.000 2.133 798 D HA -0.139 4.506 4.640 0.008 0.000 0.195 798 D C 1.818 178.074 176.300 -0.074 0.000 0.997 798 D CA 1.267 55.194 54.000 -0.122 0.000 0.840 798 D CB 0.008 40.791 40.800 -0.027 0.000 0.947 798 D HN 0.086 nan 8.370 nan 0.000 0.452 799 V N 0.452 120.267 119.914 -0.165 0.000 2.295 799 V HA -0.230 3.895 4.120 0.008 0.000 0.246 799 V C 2.720 178.732 176.094 -0.136 0.000 1.049 799 V CA 1.416 63.638 62.300 -0.130 0.000 1.024 799 V CB -0.491 31.236 31.823 -0.160 0.000 0.648 799 V HN 0.263 nan 8.190 nan 0.000 0.447 800 L N -1.680 119.395 121.223 -0.247 0.000 2.046 800 L HA -0.166 4.179 4.340 0.008 0.000 0.208 800 L C 2.585 179.451 176.870 -0.006 0.000 1.077 800 L CA 1.575 56.269 54.840 -0.243 0.000 0.747 800 L CB -0.700 41.111 42.059 -0.414 0.000 0.896 800 L HN 0.379 nan 8.230 nan 0.000 0.432 801 W N 1.102 122.383 121.300 -0.032 0.000 2.335 801 W HA -0.162 4.503 4.660 0.008 0.000 0.311 801 W C 2.555 179.058 176.519 -0.026 0.000 1.213 801 W CA 0.939 58.273 57.345 -0.020 0.000 1.274 801 W CB -0.805 28.637 29.460 -0.029 0.000 1.148 801 W HN 0.156 nan 8.180 nan 0.000 0.498 802 K N 0.091 120.614 120.400 0.205 0.000 2.148 802 K HA -0.162 4.162 4.320 0.008 0.000 0.204 802 K C 1.927 178.562 176.600 0.057 0.000 1.050 802 K CA 1.212 57.560 56.287 0.103 0.000 0.942 802 K CB -0.396 32.137 32.500 0.056 0.000 0.724 802 K HN 0.229 nan 8.250 nan 0.000 0.446 803 Q N 0.585 120.409 119.800 0.039 0.000 2.297 803 Q HA -0.135 4.210 4.340 0.008 0.000 0.208 803 Q C 0.477 176.510 176.000 0.055 0.000 0.981 803 Q CA 0.986 56.804 55.803 0.026 0.000 0.876 803 Q CB 0.188 28.930 28.738 0.006 0.000 0.921 803 Q HN 0.320 nan 8.270 nan 0.000 0.446 804 E N -0.689 119.565 120.200 0.089 0.000 2.496 804 E HA 0.155 4.510 4.350 0.008 0.000 0.202 804 E C 0.490 177.129 176.600 0.066 0.000 1.021 804 E CA 0.237 56.689 56.400 0.087 0.000 1.015 804 E CB 0.761 30.532 29.700 0.118 0.000 1.102 804 E HN 0.402 nan 8.360 nan 0.000 0.452 805 G N 1.972 110.804 108.800 0.052 0.000 2.187 805 G HA2 -0.294 3.671 3.960 0.008 0.000 0.261 805 G HA3 -0.294 3.671 3.960 0.008 0.000 0.261 805 G C -0.003 174.915 174.900 0.031 0.000 1.000 805 G CA 0.438 45.560 45.100 0.037 0.000 0.718 805 G HN 0.299 nan 8.290 nan 0.000 0.519 806 L N 1.156 122.406 121.223 0.045 0.000 2.277 806 L HA 0.638 4.982 4.340 0.008 0.000 0.284 806 L C -0.488 176.388 176.870 0.011 0.000 1.028 806 L CA -1.284 53.550 54.840 -0.010 0.000 0.835 806 L CB 1.456 43.478 42.059 -0.062 0.000 1.215 806 L HN 0.110 nan 8.230 nan 0.000 0.425 807 D N 4.969 125.351 120.400 -0.030 0.000 2.467 807 D HA 0.165 4.810 4.640 0.008 0.000 0.220 807 D C 0.535 176.776 176.300 -0.098 0.000 1.103 807 D CA -0.106 53.885 54.000 -0.015 0.000 0.886 807 D CB 0.673 41.477 40.800 0.007 0.000 1.025 807 D HN 0.609 nan 8.370 nan 0.000 0.514 808 L N 3.645 124.810 121.223 -0.097 0.000 2.645 808 L HA 0.172 4.516 4.340 0.008 0.000 0.234 808 L C 0.604 177.444 176.870 -0.050 0.000 1.165 808 L CA -0.282 54.449 54.840 -0.182 0.000 0.944 808 L CB -0.208 41.635 42.059 -0.359 0.000 1.149 808 L HN 0.247 nan 8.230 nan 0.000 0.446 809 R N -0.636 119.853 120.500 -0.018 0.000 3.332 809 R HA -0.140 4.205 4.340 0.008 0.000 0.263 809 R C -0.074 176.285 176.300 0.098 0.000 1.053 809 R CA 0.573 56.671 56.100 -0.003 0.000 0.705 809 R CB -1.919 28.372 30.300 -0.015 0.000 1.166 809 R HN 0.272 nan 8.270 nan 0.000 0.427 810 M N -0.126 119.545 119.600 0.118 0.000 2.167 810 M HA 0.119 4.604 4.480 0.008 0.000 0.300 810 M C 1.000 177.433 176.300 0.222 0.000 1.171 810 M CA 0.708 56.127 55.300 0.200 0.000 1.171 810 M CB 0.178 32.850 32.600 0.120 0.000 1.396 810 M HN 0.051 nan 8.290 nan 0.000 0.466 811 T N 2.695 117.451 114.554 0.337 0.000 3.327 811 T HA 0.317 4.672 4.350 0.008 0.000 0.373 811 T C -2.327 172.451 174.700 0.129 0.000 1.589 811 T CA -0.941 61.228 62.100 0.116 0.000 1.497 811 T CB 0.164 68.904 68.868 -0.214 0.000 1.032 811 T HN 0.379 nan 8.240 nan 0.000 0.640 812 P HA 0.140 nan 4.420 nan 0.000 0.249 812 P C -0.420 176.859 177.300 -0.036 0.000 1.737 812 P CA -0.441 62.654 63.100 -0.008 0.000 1.128 812 P CB -0.756 30.942 31.700 -0.005 0.000 1.942 813 Y N 0.026 120.326 120.300 -0.000 0.000 2.298 813 Y HA 0.619 5.173 4.550 0.007 0.000 0.329 813 Y C 0.931 176.860 175.900 0.047 0.000 1.293 813 Y CA -1.347 56.747 58.100 -0.010 0.000 1.388 813 Y CB -0.139 38.280 38.460 -0.069 0.000 1.309 813 Y HN 0.224 nan 8.280 nan 0.000 0.544 814 G N -0.184 108.753 108.800 0.228 0.000 2.406 814 G HA2 0.336 4.300 3.960 0.008 0.000 0.251 814 G HA3 0.336 4.300 3.960 0.008 0.000 0.251 814 G C -1.360 173.665 174.900 0.209 0.000 1.271 814 G CA -0.346 44.856 45.100 0.170 0.000 0.859 814 G HN 0.982 nan 8.290 nan 0.000 0.540 815 C N 3.953 123.330 119.300 0.129 0.000 2.599 815 C HA 0.654 5.119 4.460 0.008 0.000 0.354 815 C C -1.076 173.980 174.990 0.111 0.000 1.092 815 C CA -0.850 58.245 59.018 0.130 0.000 1.280 815 C CB 0.242 28.047 27.740 0.108 0.000 1.829 815 C HN 0.740 nan 8.230 nan 0.000 0.454 816 L N 8.983 130.259 121.223 0.087 0.000 2.446 816 L HA 0.664 5.009 4.340 0.008 0.000 0.268 816 L C -2.576 174.304 176.870 0.016 0.000 0.975 816 L CA -1.504 53.382 54.840 0.076 0.000 0.848 816 L CB 2.086 44.175 42.059 0.050 0.000 1.225 816 L HN 0.441 nan 8.230 nan 0.000 0.410 817 P HA 0.357 nan 4.420 nan 0.000 0.276 817 P C 0.010 177.347 177.300 0.061 0.000 1.230 817 P CA -0.111 63.022 63.100 0.054 0.000 0.776 817 P CB 0.844 32.609 31.700 0.108 0.000 0.888 818 T N -0.573 114.000 114.554 0.031 0.000 2.958 818 T HA 0.516 4.870 4.350 0.008 0.000 0.256 818 T C 0.680 175.522 174.700 0.237 0.000 0.983 818 T CA 0.291 62.443 62.100 0.086 0.000 0.924 818 T CB 0.044 68.816 68.868 -0.159 0.000 1.136 818 T HN 0.504 nan 8.240 nan 0.000 0.506 819 G N 0.581 109.454 108.800 0.122 0.000 2.428 819 G HA2 0.388 4.353 3.960 0.008 0.000 0.305 819 G HA3 0.388 4.353 3.960 0.008 0.000 0.305 819 G C -2.037 172.769 174.900 -0.156 0.000 1.260 819 G CA -0.605 44.542 45.100 0.079 0.000 0.853 819 G HN 0.034 nan 8.290 nan 0.000 0.480 820 D N 0.960 121.114 120.400 -0.410 0.000 2.368 820 D HA 0.162 4.806 4.640 0.008 0.000 0.268 820 D C 1.135 177.231 176.300 -0.340 0.000 1.298 820 D CA 0.323 53.828 54.000 -0.824 0.000 0.938 820 D CB -0.121 40.330 40.800 -0.582 0.000 1.101 820 D HN 0.519 nan 8.370 nan 0.000 0.509 821 R N 1.995 122.348 120.500 -0.246 0.000 3.525 821 R HA -0.158 4.187 4.340 0.008 0.000 0.276 821 R C -0.470 175.745 176.300 -0.143 0.000 1.116 821 R CA 0.887 56.911 56.100 -0.127 0.000 0.745 821 R CB -2.198 28.045 30.300 -0.095 0.000 1.185 821 R HN 0.427 nan 8.270 nan 0.000 0.454 822 T N -1.205 113.259 114.554 -0.150 0.000 2.933 822 T HA 0.739 5.093 4.350 0.008 0.000 0.305 822 T C 0.200 174.797 174.700 -0.171 0.000 1.092 822 T CA -0.046 61.923 62.100 -0.218 0.000 1.008 822 T CB 2.490 71.274 68.868 -0.139 0.000 1.102 822 T HN 0.449 nan 8.240 nan 0.000 0.469 823 G N 1.073 109.716 108.800 -0.261 0.000 2.348 823 G HA2 0.558 4.523 3.960 0.008 0.000 0.296 823 G HA3 0.558 4.523 3.960 0.008 0.000 0.296 823 G C -2.429 172.384 174.900 -0.144 0.000 1.258 823 G CA -0.800 44.209 45.100 -0.153 0.000 0.868 823 G HN 0.726 nan 8.290 nan 0.000 0.488 824 L N 0.049 121.238 121.223 -0.056 0.000 2.370 824 L HA 0.713 5.058 4.340 0.008 0.000 0.266 824 L C -0.624 176.273 176.870 0.045 0.000 1.002 824 L CA -0.899 53.944 54.840 0.005 0.000 0.818 824 L CB 2.337 44.400 42.059 0.008 0.000 1.325 824 L HN 0.400 nan 8.230 nan 0.000 0.418 825 I N 1.000 121.610 120.570 0.067 0.000 2.569 825 I HA 0.305 4.479 4.170 0.008 0.000 0.296 825 I C -0.133 176.027 176.117 0.070 0.000 1.028 825 I CA -0.575 60.800 61.300 0.126 0.000 1.082 825 I CB 2.297 40.379 38.000 0.137 0.000 1.264 825 I HN 0.655 nan 8.210 nan 0.000 0.429 826 E N 5.113 125.389 120.200 0.127 0.000 2.331 826 E HA 0.308 4.663 4.350 0.008 0.000 0.272 826 E C -1.249 175.289 176.600 -0.103 0.000 1.036 826 E CA -0.544 55.874 56.400 0.030 0.000 0.864 826 E CB 1.500 31.262 29.700 0.102 0.000 1.035 826 E HN 0.349 nan 8.360 nan 0.000 0.408 827 V N 4.553 124.348 119.914 -0.198 0.000 2.530 827 V HA 0.091 4.216 4.120 0.008 0.000 0.282 827 V C -0.019 175.982 176.094 -0.155 0.000 1.048 827 V CA -0.546 61.572 62.300 -0.303 0.000 0.997 827 V CB 1.338 32.808 31.823 -0.589 0.000 0.987 827 V HN 0.504 nan 8.190 nan 0.000 0.477 828 V N 7.117 126.970 119.914 -0.103 0.000 2.318 828 V HA 0.315 4.440 4.120 0.008 0.000 0.271 828 V C 0.301 176.435 176.094 0.067 0.000 1.030 828 V CA -0.332 61.953 62.300 -0.026 0.000 0.844 828 V CB 1.029 32.810 31.823 -0.070 0.000 1.015 828 V HN 0.620 nan 8.190 nan 0.000 0.460 829 L N 4.929 126.169 121.223 0.027 0.000 2.473 829 L HA 0.343 4.688 4.340 0.008 0.000 0.268 829 L C 1.153 178.056 176.870 0.056 0.000 1.215 829 L CA -0.306 54.502 54.840 -0.054 0.000 0.823 829 L CB 0.005 41.926 42.059 -0.230 0.000 1.099 829 L HN 0.759 nan 8.230 nan 0.000 0.483 830 H N -0.913 118.274 119.070 0.195 0.000 2.820 830 H HA -0.134 4.427 4.556 0.008 0.000 0.295 830 H C -0.077 175.416 175.328 0.275 0.000 1.187 830 H CA 0.658 56.830 56.048 0.206 0.000 1.144 830 H CB -1.940 27.916 29.762 0.157 0.000 1.354 830 H HN 0.639 nan 8.280 nan 0.000 0.395 831 S N -0.706 115.190 115.700 0.327 0.000 2.648 831 S HA 0.743 5.218 4.470 0.008 0.000 0.305 831 S C -0.159 174.553 174.600 0.187 0.000 1.094 831 S CA -0.960 57.417 58.200 0.296 0.000 0.983 831 S CB 3.733 67.117 63.200 0.306 0.000 1.101 831 S HN 0.222 nan 8.310 nan 0.000 0.514 832 D N -0.095 120.319 120.400 0.024 0.000 2.626 832 D HA 0.536 5.181 4.640 0.008 0.000 0.278 832 D C -1.020 175.129 176.300 -0.252 0.000 1.211 832 D CA -0.272 53.662 54.000 -0.109 0.000 0.903 832 D CB 2.280 43.000 40.800 -0.133 0.000 1.408 832 D HN 0.731 nan 8.370 nan 0.000 0.454 833 T N 0.013 114.424 114.554 -0.238 0.000 2.882 833 T HA 0.278 4.633 4.350 0.008 0.000 0.287 833 T C 1.960 176.499 174.700 -0.269 0.000 0.992 833 T CA -0.723 61.225 62.100 -0.253 0.000 1.076 833 T CB 0.756 69.519 68.868 -0.175 0.000 0.961 833 T HN 0.251 nan 8.240 nan 0.000 0.490 834 I N 2.016 122.440 120.570 -0.243 0.000 2.121 834 I HA -0.305 3.870 4.170 0.008 0.000 0.243 834 I C 2.857 178.900 176.117 -0.124 0.000 1.047 834 I CA 2.091 63.297 61.300 -0.158 0.000 1.308 834 I CB -2.166 35.815 38.000 -0.032 0.000 1.015 834 I HN 0.906 nan 8.210 nan 0.000 0.410 835 A N 0.298 123.064 122.820 -0.091 0.000 1.883 835 A HA -0.275 4.050 4.320 0.008 0.000 0.217 835 A C 2.232 179.766 177.584 -0.083 0.000 1.186 835 A CA 2.327 54.328 52.037 -0.061 0.000 0.624 835 A CB -1.195 17.783 19.000 -0.037 0.000 0.822 835 A HN 0.536 nan 8.150 nan 0.000 0.444 836 N N -0.507 118.125 118.700 -0.114 0.000 2.018 836 N HA -0.181 4.564 4.740 0.008 0.000 0.196 836 N C 1.484 176.916 175.510 -0.129 0.000 1.043 836 N CA 1.984 54.965 53.050 -0.116 0.000 0.856 836 N CB -0.356 38.050 38.487 -0.135 0.000 1.042 836 N HN 0.426 nan 8.380 nan 0.000 0.423 837 I N 1.106 121.542 120.570 -0.224 0.000 2.194 837 I HA -0.278 3.897 4.170 0.008 0.000 0.246 837 I C 1.766 177.816 176.117 -0.112 0.000 1.093 837 I CA 1.417 62.559 61.300 -0.264 0.000 1.355 837 I CB -0.285 37.402 38.000 -0.523 0.000 1.046 837 I HN 0.259 nan 8.210 nan 0.000 0.413 838 Q N -0.026 119.722 119.800 -0.085 0.000 2.466 838 Q HA 0.015 4.360 4.340 0.008 0.000 0.210 838 Q C 2.025 178.014 176.000 -0.018 0.000 0.961 838 Q CA 0.273 56.057 55.803 -0.031 0.000 0.953 838 Q CB -0.037 28.693 28.738 -0.013 0.000 1.011 838 Q HN 0.563 nan 8.270 nan 0.000 0.516 839 L N 0.381 121.587 121.223 -0.028 0.000 2.353 839 L HA -0.120 4.225 4.340 0.008 0.000 0.220 839 L C 0.527 177.393 176.870 -0.006 0.000 1.133 839 L CA 0.155 54.984 54.840 -0.018 0.000 0.798 839 L CB -0.309 41.735 42.059 -0.024 0.000 0.922 839 L HN 0.354 nan 8.230 nan 0.000 0.445 840 N N 1.310 120.012 118.700 0.003 0.000 2.714 840 N HA -0.189 4.556 4.740 0.008 0.000 0.252 840 N C -0.253 175.261 175.510 0.006 0.000 1.014 840 N CA 0.783 53.839 53.050 0.010 0.000 0.735 840 N CB -0.738 37.752 38.487 0.005 0.000 0.924 840 N HN 0.351 nan 8.380 nan 0.000 0.540 841 K N -0.019 120.388 120.400 0.012 0.000 2.295 841 K HA 0.246 4.571 4.320 0.008 0.000 0.270 841 K C 1.103 177.709 176.600 0.011 0.000 1.011 841 K CA -0.095 56.197 56.287 0.008 0.000 0.953 841 K CB 0.567 33.073 32.500 0.010 0.000 0.956 841 K HN 0.398 nan 8.250 nan 0.000 0.477 842 S N 1.477 117.178 115.700 0.002 0.000 2.632 842 S HA 0.049 4.524 4.470 0.008 0.000 0.267 842 S C 0.690 175.293 174.600 0.004 0.000 1.193 842 S CA -0.666 57.534 58.200 -0.000 0.000 1.003 842 S CB 0.308 63.503 63.200 -0.008 0.000 1.073 842 S HN 0.876 nan 8.310 nan 0.000 0.553 843 N N -0.210 118.490 118.700 0.001 0.000 2.721 843 N HA -0.173 4.572 4.740 0.008 0.000 0.249 843 N C -0.837 174.677 175.510 0.007 0.000 1.072 843 N CA 1.144 54.195 53.050 0.001 0.000 0.710 843 N CB -1.146 37.341 38.487 -0.000 0.000 0.993 843 N HN 0.716 nan 8.380 nan 0.000 0.547 844 M N -2.461 117.146 119.600 0.012 0.000 3.331 844 M HA 0.411 4.896 4.480 0.008 0.000 0.281 844 M C 1.026 177.338 176.300 0.019 0.000 1.338 844 M CA -0.074 55.237 55.300 0.019 0.000 0.827 844 M CB 0.515 33.136 32.600 0.036 0.000 1.674 844 M HN -0.166 nan 8.290 nan 0.000 0.477 845 A N 0.267 123.100 122.820 0.021 0.000 1.858 845 A HA 0.121 4.446 4.320 0.008 0.000 0.216 845 A C 1.634 179.232 177.584 0.024 0.000 1.190 845 A CA 2.108 54.150 52.037 0.008 0.000 0.617 845 A CB -1.023 17.965 19.000 -0.019 0.000 0.827 845 A HN 0.864 nan 8.150 nan 0.000 0.443 846 A N -0.465 122.391 122.820 0.060 0.000 2.310 846 A HA 0.348 4.673 4.320 0.008 0.000 0.230 846 A C 0.779 178.399 177.584 0.060 0.000 1.294 846 A CA 0.278 52.366 52.037 0.085 0.000 0.898 846 A CB -1.084 18.026 19.000 0.185 0.000 0.917 846 A HN 0.253 nan 8.150 nan 0.000 0.491 847 T N 2.237 116.810 114.554 0.030 0.000 2.765 847 T HA 0.372 4.726 4.350 0.008 0.000 0.284 847 T C 0.439 175.135 174.700 -0.006 0.000 0.946 847 T CA 0.796 62.901 62.100 0.009 0.000 1.185 847 T CB -0.044 68.821 68.868 -0.004 0.000 0.887 847 T HN 0.520 nan 8.240 nan 0.000 0.532 848 A N 3.014 125.827 122.820 -0.013 0.000 2.325 848 A HA 0.771 5.095 4.320 0.008 0.000 0.333 848 A C 1.244 178.757 177.584 -0.119 0.000 1.155 848 A CA -0.415 51.605 52.037 -0.027 0.000 0.814 848 A CB 0.890 19.901 19.000 0.019 0.000 1.206 848 A HN 0.855 nan 8.150 nan 0.000 0.482 849 A N 1.278 123.969 122.820 -0.216 0.000 1.975 849 A HA 0.482 4.806 4.320 0.008 0.000 0.215 849 A C 0.070 177.128 177.584 -0.876 0.000 1.170 849 A CA 0.910 52.601 52.037 -0.578 0.000 0.656 849 A CB -0.156 18.403 19.000 -0.735 0.000 0.821 849 A HN 0.686 nan 8.150 nan 0.000 0.449 850 F N -2.007 117.930 119.950 -0.021 0.000 2.569 850 F HA 0.372 4.904 4.527 0.008 0.000 0.312 850 F C 0.708 176.485 175.800 -0.038 0.000 1.109 850 F CA -1.066 56.910 58.000 -0.039 0.000 0.919 850 F CB 1.320 40.282 39.000 -0.064 0.000 1.211 850 F HN 0.054 nan 8.300 nan 0.000 0.446 851 N N 2.213 120.994 118.700 0.135 0.000 2.094 851 N HA -0.265 4.479 4.740 0.008 0.000 0.191 851 N C 1.912 177.452 175.510 0.051 0.000 1.023 851 N CA 2.121 55.215 53.050 0.073 0.000 0.857 851 N CB -0.001 38.524 38.487 0.064 0.000 1.013 851 N HN 0.707 nan 8.380 nan 0.000 0.426 852 K N -0.544 119.866 120.400 0.017 0.000 2.362 852 K HA -0.166 4.159 4.320 0.008 0.000 0.202 852 K C 0.462 176.993 176.600 -0.114 0.000 1.045 852 K CA 1.696 57.907 56.287 -0.127 0.000 0.936 852 K CB 0.041 32.353 32.500 -0.313 0.000 0.747 852 K HN 0.257 nan 8.250 nan 0.000 0.467 853 D N 0.750 121.170 120.400 0.032 0.000 2.333 853 D HA 0.080 4.725 4.640 0.008 0.000 0.208 853 D C 1.862 178.226 176.300 0.107 0.000 0.984 853 D CA 0.808 54.878 54.000 0.116 0.000 0.873 853 D CB 0.272 41.166 40.800 0.156 0.000 0.935 853 D HN 0.385 nan 8.370 nan 0.000 0.521 854 A N 1.233 124.102 122.820 0.082 0.000 1.883 854 A HA -0.161 4.164 4.320 0.008 0.000 0.217 854 A C 2.277 179.935 177.584 0.124 0.000 1.186 854 A CA 0.891 52.981 52.037 0.089 0.000 0.624 854 A CB -0.821 18.213 19.000 0.056 0.000 0.822 854 A HN 0.215 nan 8.150 nan 0.000 0.444 855 L N -1.424 119.855 121.223 0.095 0.000 2.042 855 L HA -0.189 4.155 4.340 0.008 0.000 0.210 855 L C 2.567 179.528 176.870 0.151 0.000 1.076 855 L CA 1.255 56.155 54.840 0.100 0.000 0.749 855 L CB -0.300 41.793 42.059 0.057 0.000 0.893 855 L HN 0.415 nan 8.230 nan 0.000 0.432 856 L N -0.132 121.152 121.223 0.102 0.000 2.072 856 L HA -0.145 4.199 4.340 0.008 0.000 0.205 856 L C 2.114 179.041 176.870 0.095 0.000 1.079 856 L CA 1.603 56.479 54.840 0.060 0.000 0.752 856 L CB -0.851 41.228 42.059 0.034 0.000 0.906 856 L HN 0.222 nan 8.230 nan 0.000 0.436 857 N N -1.540 117.230 118.700 0.117 0.000 2.166 857 N HA -0.253 4.491 4.740 0.008 0.000 0.186 857 N C 1.446 177.032 175.510 0.127 0.000 1.019 857 N CA 1.421 54.531 53.050 0.100 0.000 0.856 857 N CB -0.566 37.979 38.487 0.097 0.000 0.993 857 N HN 0.503 nan 8.380 nan 0.000 0.426 858 W N 1.497 122.800 121.300 0.005 0.000 2.353 858 W HA -0.012 4.653 4.660 0.008 0.000 0.319 858 W C 1.825 178.350 176.519 0.010 0.000 1.207 858 W CA 1.133 58.484 57.345 0.011 0.000 1.291 858 W CB -0.522 28.949 29.460 0.018 0.000 1.159 858 W HN -0.027 nan 8.180 nan 0.000 0.478 859 L N 0.732 122.117 121.223 0.270 0.000 2.043 859 L HA -0.306 4.038 4.340 0.008 0.000 0.212 859 L C 2.531 179.352 176.870 -0.082 0.000 1.075 859 L CA 1.919 56.798 54.840 0.065 0.000 0.752 859 L CB -0.981 41.157 42.059 0.132 0.000 0.891 859 L HN 0.005 nan 8.230 nan 0.000 0.432 860 K N -0.025 120.354 120.400 -0.036 0.000 2.020 860 K HA -0.220 4.105 4.320 0.008 0.000 0.212 860 K C 2.322 178.860 176.600 -0.103 0.000 1.050 860 K CA 2.023 58.278 56.287 -0.053 0.000 0.929 860 K CB -0.328 32.161 32.500 -0.018 0.000 0.714 860 K HN 0.397 nan 8.250 nan 0.000 0.443 861 S N 0.876 116.492 115.700 -0.141 0.000 2.419 861 S HA -0.115 4.360 4.470 0.008 0.000 0.235 861 S C 1.574 176.023 174.600 -0.252 0.000 1.019 861 S CA 1.063 59.155 58.200 -0.180 0.000 0.982 861 S CB -0.062 63.020 63.200 -0.197 0.000 0.789 861 S HN 0.124 nan 8.310 nan 0.000 0.490 862 K N 1.554 121.737 120.400 -0.363 0.000 2.379 862 K HA 0.262 4.587 4.320 0.008 0.000 0.194 862 K C -0.043 176.433 176.600 -0.208 0.000 1.031 862 K CA 0.176 56.241 56.287 -0.370 0.000 1.037 862 K CB -0.060 32.068 32.500 -0.620 0.000 0.824 862 K HN 0.474 nan 8.250 nan 0.000 0.516 863 N N 1.581 120.192 118.700 -0.148 0.000 2.722 863 N HA 0.193 4.937 4.740 0.008 0.000 0.242 863 N C -2.920 172.556 175.510 -0.057 0.000 1.398 863 N CA -0.892 52.108 53.050 -0.082 0.000 0.755 863 N CB 2.222 40.677 38.487 -0.053 0.000 1.268 863 N HN -0.042 nan 8.380 nan 0.000 0.522 864 P HA 0.261 nan 4.420 nan 0.000 0.276 864 P C 1.022 178.307 177.300 -0.024 0.000 1.244 864 P CA 0.594 63.671 63.100 -0.039 0.000 0.801 864 P CB 0.859 32.534 31.700 -0.041 0.000 1.006 865 G N 1.739 110.529 108.800 -0.017 0.000 2.594 865 G HA2 -0.363 3.601 3.960 0.008 0.000 0.297 865 G HA3 -0.363 3.601 3.960 0.008 0.000 0.297 865 G C 0.963 175.860 174.900 -0.005 0.000 1.273 865 G CA 0.727 45.822 45.100 -0.009 0.000 0.974 865 G HN 0.515 nan 8.290 nan 0.000 0.552 866 E N 0.259 120.459 120.200 0.000 0.000 2.187 866 E HA -0.092 4.263 4.350 0.008 0.000 0.199 866 E C 2.933 179.538 176.600 0.010 0.000 1.004 866 E CA 1.636 58.040 56.400 0.007 0.000 0.813 866 E CB -0.343 29.362 29.700 0.009 0.000 0.736 866 E HN 0.825 nan 8.360 nan 0.000 0.468 867 A N 0.867 123.689 122.820 0.004 0.000 2.076 867 A HA -0.173 4.152 4.320 0.008 0.000 0.220 867 A C 2.080 179.671 177.584 0.012 0.000 1.160 867 A CA 0.931 52.973 52.037 0.008 0.000 0.653 867 A CB -0.414 18.583 19.000 -0.005 0.000 0.801 867 A HN 0.252 nan 8.150 nan 0.000 0.455 868 L N -0.039 121.186 121.223 0.004 0.000 2.083 868 L HA -0.151 4.194 4.340 0.008 0.000 0.209 868 L C 1.579 178.462 176.870 0.021 0.000 1.083 868 L CA 2.419 57.262 54.840 0.005 0.000 0.752 868 L CB -0.677 41.379 42.059 -0.006 0.000 0.899 868 L HN 0.298 nan 8.230 nan 0.000 0.433 869 D N -0.637 119.779 120.400 0.026 0.000 2.123 869 D HA -0.209 4.436 4.640 0.008 0.000 0.196 869 D C 2.299 178.637 176.300 0.062 0.000 0.992 869 D CA 1.075 55.099 54.000 0.040 0.000 0.833 869 D CB -0.024 40.799 40.800 0.039 0.000 0.954 869 D HN 0.170 nan 8.370 nan 0.000 0.455 870 R N 0.906 121.444 120.500 0.064 0.000 2.075 870 R HA 0.074 4.418 4.340 0.008 0.000 0.232 870 R C 1.911 178.273 176.300 0.103 0.000 1.126 870 R CA 1.584 57.735 56.100 0.085 0.000 0.963 870 R CB -0.837 29.511 30.300 0.080 0.000 0.858 870 R HN 0.061 nan 8.270 nan 0.000 0.435 871 A N 0.622 123.497 122.820 0.091 0.000 1.917 871 A HA -0.164 4.161 4.320 0.008 0.000 0.219 871 A C 2.327 180.008 177.584 0.162 0.000 1.182 871 A CA 1.863 53.971 52.037 0.119 0.000 0.633 871 A CB -0.684 18.369 19.000 0.087 0.000 0.819 871 A HN 0.391 nan 8.150 nan 0.000 0.448 872 I N -1.076 119.564 120.570 0.116 0.000 2.315 872 I HA -0.197 3.978 4.170 0.008 0.000 0.248 872 I C 2.561 178.803 176.117 0.208 0.000 1.117 872 I CA 1.587 62.959 61.300 0.120 0.000 1.404 872 I CB -0.201 37.822 38.000 0.039 0.000 1.071 872 I HN 0.373 nan 8.210 nan 0.000 0.419 873 E N 1.199 121.505 120.200 0.176 0.000 2.051 873 E HA -0.231 4.124 4.350 0.008 0.000 0.192 873 E C 2.051 178.765 176.600 0.191 0.000 0.991 873 E CA 1.466 57.980 56.400 0.192 0.000 0.799 873 E CB -0.059 29.729 29.700 0.147 0.000 0.748 873 E HN 0.267 nan 8.360 nan 0.000 0.449 874 E N -0.360 119.945 120.200 0.174 0.000 2.118 874 E HA -0.190 4.165 4.350 0.008 0.000 0.195 874 E C 2.053 178.771 176.600 0.197 0.000 0.992 874 E CA 0.920 57.409 56.400 0.149 0.000 0.804 874 E CB -0.485 29.304 29.700 0.148 0.000 0.741 874 E HN 0.391 nan 8.360 nan 0.000 0.458 875 F N 1.703 121.715 119.950 0.102 0.000 2.186 875 F HA -0.186 4.346 4.527 0.008 0.000 0.299 875 F C 2.284 178.155 175.800 0.118 0.000 1.090 875 F CA 1.605 59.661 58.000 0.093 0.000 1.307 875 F CB -0.018 39.023 39.000 0.068 0.000 1.019 875 F HN -0.074 nan 8.300 nan 0.000 0.489 876 T N 1.517 116.333 114.554 0.437 0.000 2.770 876 T HA -0.123 4.232 4.350 0.008 0.000 0.263 876 T C 2.052 176.968 174.700 0.361 0.000 1.039 876 T CA 1.592 63.964 62.100 0.453 0.000 1.142 876 T CB -0.550 68.621 68.868 0.505 0.000 0.868 876 T HN 0.207 nan 8.240 nan 0.000 0.435 877 L N 1.710 123.018 121.223 0.141 0.000 1.990 877 L HA -0.177 4.167 4.340 0.008 0.000 0.213 877 L C 2.983 179.841 176.870 -0.020 0.000 1.072 877 L CA 1.797 56.574 54.840 -0.105 0.000 0.755 877 L CB -0.896 41.042 42.059 -0.201 0.000 0.889 877 L HN 0.386 nan 8.230 nan 0.000 0.432 878 S N -1.580 114.150 115.700 0.049 0.000 2.387 878 S HA -0.222 4.253 4.470 0.008 0.000 0.226 878 S C 2.196 176.924 174.600 0.213 0.000 1.026 878 S CA 0.897 59.184 58.200 0.146 0.000 0.972 878 S CB -1.152 62.182 63.200 0.224 0.000 0.814 878 S HN 0.499 nan 8.310 nan 0.000 0.477 879 C N 2.306 121.629 119.300 0.039 0.000 2.393 879 C HA -0.015 4.449 4.460 0.008 0.000 0.276 879 C C 3.218 178.425 174.990 0.360 0.000 1.215 879 C CA 1.206 60.276 59.018 0.087 0.000 1.743 879 C CB -1.762 25.940 27.740 -0.064 0.000 2.044 879 C HN 0.716 nan 8.230 nan 0.000 0.464 880 A N -0.104 122.949 122.820 0.388 0.000 1.933 880 A HA 0.072 4.396 4.320 0.008 0.000 0.218 880 A C 2.412 180.028 177.584 0.052 0.000 1.175 880 A CA 2.159 54.300 52.037 0.174 0.000 0.628 880 A CB -1.315 17.669 19.000 -0.027 0.000 0.814 880 A HN 0.704 nan 8.150 nan 0.000 0.444 881 G N -1.700 107.057 108.800 -0.071 0.000 2.402 881 G HA2 -0.170 3.794 3.960 0.008 0.000 0.216 881 G HA3 -0.170 3.794 3.960 0.008 0.000 0.216 881 G C 1.447 176.384 174.900 0.062 0.000 1.162 881 G CA 1.137 46.131 45.100 -0.176 0.000 0.777 881 G HN 0.534 nan 8.290 nan 0.000 0.539 882 Y N 0.154 120.600 120.300 0.243 0.000 2.263 882 Y HA -0.045 4.510 4.550 0.008 0.000 0.292 882 Y C 3.093 179.107 175.900 0.190 0.000 1.130 882 Y CA 0.553 58.792 58.100 0.232 0.000 1.179 882 Y CB -0.608 38.043 38.460 0.319 0.000 0.998 882 Y HN 0.211 nan 8.280 nan 0.000 0.532 883 C N -1.160 118.336 119.300 0.326 0.000 2.425 883 C HA -0.116 4.349 4.460 0.008 0.000 0.277 883 C C 2.767 177.911 174.990 0.258 0.000 1.280 883 C CA 0.916 60.033 59.018 0.165 0.000 1.744 883 C CB -1.027 26.807 27.740 0.157 0.000 1.989 883 C HN 0.350 nan 8.230 nan 0.000 0.491 884 V N 1.034 121.205 119.914 0.429 0.000 2.379 884 V HA -0.129 3.996 4.120 0.008 0.000 0.245 884 V C 2.655 179.038 176.094 0.483 0.000 1.044 884 V CA 2.079 64.732 62.300 0.589 0.000 1.036 884 V CB -1.152 30.971 31.823 0.499 0.000 0.664 884 V HN 0.575 nan 8.190 nan 0.000 0.453 885 A N 0.910 123.948 122.820 0.362 0.000 1.898 885 A HA -0.209 4.116 4.320 0.008 0.000 0.216 885 A C 2.487 180.175 177.584 0.173 0.000 1.181 885 A CA 2.441 54.611 52.037 0.221 0.000 0.620 885 A CB -0.973 18.113 19.000 0.143 0.000 0.819 885 A HN 0.622 nan 8.150 nan 0.000 0.442 886 T N -3.521 111.147 114.554 0.190 0.000 2.867 886 T HA -0.190 4.165 4.350 0.008 0.000 0.268 886 T C 1.841 176.676 174.700 0.225 0.000 1.057 886 T CA 1.481 63.676 62.100 0.158 0.000 1.136 886 T CB -0.529 68.400 68.868 0.101 0.000 0.874 886 T HN 0.447 nan 8.240 nan 0.000 0.466 887 Y N 2.444 122.855 120.300 0.186 0.000 2.109 887 Y HA -0.025 4.530 4.550 0.008 0.000 0.285 887 Y C 2.423 178.493 175.900 0.283 0.000 1.131 887 Y CA 0.833 59.100 58.100 0.278 0.000 1.121 887 Y CB -0.794 37.962 38.460 0.493 0.000 0.987 887 Y HN 0.041 nan 8.280 nan 0.000 0.495 888 V N 1.034 120.955 119.914 0.011 0.000 2.282 888 V HA -0.342 3.783 4.120 0.008 0.000 0.249 888 V C 2.366 178.372 176.094 -0.146 0.000 1.057 888 V CA 2.245 64.459 62.300 -0.143 0.000 1.032 888 V CB -0.858 30.938 31.823 -0.045 0.000 0.645 888 V HN 0.462 nan 8.190 nan 0.000 0.447 889 L N 0.303 121.476 121.223 -0.083 0.000 2.599 889 L HA 0.241 4.586 4.340 0.008 0.000 0.230 889 L C 1.625 178.407 176.870 -0.147 0.000 1.141 889 L CA 0.708 55.468 54.840 -0.132 0.000 0.877 889 L CB -0.852 41.192 42.059 -0.025 0.000 1.009 889 L HN 0.579 nan 8.230 nan 0.000 0.447 890 G N 1.416 110.198 108.800 -0.030 0.000 2.273 890 G HA2 -0.278 3.686 3.960 0.008 0.000 0.280 890 G HA3 -0.278 3.686 3.960 0.008 0.000 0.280 890 G C 0.169 175.090 174.900 0.035 0.000 1.047 890 G CA -0.144 44.897 45.100 -0.099 0.000 0.869 890 G HN 0.327 nan 8.290 nan 0.000 0.502 891 I N 1.186 121.845 120.570 0.150 0.000 2.312 891 I HA 0.487 4.662 4.170 0.008 0.000 0.291 891 I C 1.189 177.436 176.117 0.218 0.000 1.031 891 I CA 0.281 61.718 61.300 0.229 0.000 1.293 891 I CB 0.919 39.071 38.000 0.253 0.000 1.403 891 I HN 0.194 nan 8.210 nan 0.000 0.484 892 G N 3.265 112.198 108.800 0.222 0.000 2.887 892 G HA2 0.328 4.293 3.960 0.008 0.000 0.277 892 G HA3 0.328 4.293 3.960 0.008 0.000 0.277 892 G C -0.185 174.809 174.900 0.156 0.000 1.346 892 G CA -0.305 44.905 45.100 0.182 0.000 1.058 892 G HN 0.646 nan 8.290 nan 0.000 0.535 893 D N -1.203 119.276 120.400 0.132 0.000 2.723 893 D HA -0.137 4.508 4.640 0.008 0.000 0.236 893 D C 0.321 176.660 176.300 0.063 0.000 1.138 893 D CA 0.477 54.564 54.000 0.145 0.000 0.676 893 D CB -0.474 40.379 40.800 0.088 0.000 1.069 893 D HN 0.250 nan 8.370 nan 0.000 0.430 894 R N 1.398 121.942 120.500 0.073 0.000 2.390 894 R HA 0.466 4.811 4.340 0.008 0.000 0.291 894 R C 0.801 177.099 176.300 -0.005 0.000 1.070 894 R CA 0.005 56.100 56.100 -0.009 0.000 1.014 894 R CB 0.920 31.326 30.300 0.176 0.000 1.007 894 R HN 0.581 nan 8.270 nan 0.000 0.466 895 H N -2.245 116.847 119.070 0.037 0.000 2.918 895 H HA 0.108 4.668 4.556 0.008 0.000 0.303 895 H C 0.207 175.525 175.328 -0.016 0.000 1.380 895 H CA -0.459 55.592 56.048 0.005 0.000 1.134 895 H CB 0.665 30.420 29.762 -0.011 0.000 1.842 895 H HN 0.423 nan 8.280 nan 0.000 0.533 896 S N -0.877 114.918 115.700 0.158 0.000 2.547 896 S HA -0.120 4.355 4.470 0.008 0.000 0.235 896 S C 0.461 175.066 174.600 0.008 0.000 0.980 896 S CA 1.271 59.505 58.200 0.056 0.000 0.941 896 S CB -0.298 62.930 63.200 0.046 0.000 0.763 896 S HN 0.518 nan 8.310 nan 0.000 0.532 897 D N 2.337 122.796 120.400 0.099 0.000 2.305 897 D HA 0.007 4.651 4.640 0.008 0.000 0.206 897 D C 1.337 177.585 176.300 -0.086 0.000 0.974 897 D CA 0.768 54.791 54.000 0.039 0.000 0.871 897 D CB -0.199 40.688 40.800 0.146 0.000 0.947 897 D HN 0.865 nan 8.370 nan 0.000 0.516 898 N N 0.155 118.734 118.700 -0.202 0.000 2.187 898 N HA 0.102 4.847 4.740 0.008 0.000 0.212 898 N C 0.199 175.480 175.510 -0.381 0.000 1.152 898 N CA -0.088 52.788 53.050 -0.290 0.000 0.872 898 N CB 1.118 39.394 38.487 -0.352 0.000 1.025 898 N HN 0.034 nan 8.380 nan 0.000 0.514 899 I N 1.420 121.754 120.570 -0.392 0.000 2.441 899 I HA 0.408 4.583 4.170 0.008 0.000 0.295 899 I C -0.274 175.520 176.117 -0.538 0.000 0.994 899 I CA -0.685 60.273 61.300 -0.569 0.000 1.144 899 I CB 1.928 39.652 38.000 -0.461 0.000 1.314 899 I HN -0.094 nan 8.210 nan 0.000 0.445 900 M N 6.312 125.435 119.600 -0.795 0.000 2.662 900 M HA 0.635 5.120 4.480 0.008 0.000 0.310 900 M C -1.091 174.785 176.300 -0.707 0.000 1.204 900 M CA -0.837 53.987 55.300 -0.793 0.000 0.891 900 M CB 2.972 34.931 32.600 -1.068 0.000 1.732 900 M HN 0.408 nan 8.290 nan 0.000 0.467 901 I N -0.844 119.485 120.570 -0.401 0.000 2.582 901 I HA 0.607 4.782 4.170 0.008 0.000 0.292 901 I C -0.622 175.580 176.117 0.143 0.000 1.066 901 I CA -0.907 60.325 61.300 -0.113 0.000 1.053 901 I CB 1.814 39.756 38.000 -0.096 0.000 1.241 901 I HN 0.562 nan 8.210 nan 0.000 0.421 902 R N 2.750 123.458 120.500 0.347 0.000 2.549 902 R HA 0.325 4.669 4.340 0.008 0.000 0.267 902 R C 0.328 176.925 176.300 0.495 0.000 1.045 902 R CA -0.685 55.675 56.100 0.433 0.000 1.115 902 R CB 1.191 31.717 30.300 0.376 0.000 1.121 902 R HN 0.722 nan 8.270 nan 0.000 0.543 903 E N 0.316 120.756 120.200 0.401 0.000 2.338 903 E HA -0.129 4.225 4.350 0.008 0.000 0.197 903 E C 1.467 178.134 176.600 0.112 0.000 1.007 903 E CA 1.250 57.753 56.400 0.172 0.000 0.849 903 E CB 0.179 29.887 29.700 0.012 0.000 0.774 903 E HN 0.566 nan 8.360 nan 0.000 0.506 904 S N -1.101 114.700 115.700 0.168 0.000 2.555 904 S HA 0.039 4.514 4.470 0.008 0.000 0.230 904 S C 1.676 176.387 174.600 0.185 0.000 0.978 904 S CA 0.581 58.866 58.200 0.142 0.000 0.934 904 S CB 0.190 63.473 63.200 0.139 0.000 0.766 904 S HN 0.373 nan 8.310 nan 0.000 0.533 905 G N 0.197 109.159 108.800 0.270 0.000 2.195 905 G HA2 -0.258 3.707 3.960 0.008 0.000 0.246 905 G HA3 -0.258 3.707 3.960 0.008 0.000 0.246 905 G C -0.103 175.007 174.900 0.350 0.000 0.984 905 G CA 0.048 45.354 45.100 0.343 0.000 0.633 905 G HN 0.605 nan 8.290 nan 0.000 0.525 906 Q N 0.233 120.195 119.800 0.269 0.000 2.289 906 Q HA 0.518 4.862 4.340 0.008 0.000 0.273 906 Q C 0.439 176.563 176.000 0.206 0.000 1.029 906 Q CA 0.002 55.942 55.803 0.229 0.000 0.896 906 Q CB 1.260 30.142 28.738 0.241 0.000 1.182 906 Q HN 0.557 nan 8.270 nan 0.000 0.385 907 L N 4.487 125.724 121.223 0.023 0.000 2.379 907 L HA 0.667 5.012 4.340 0.008 0.000 0.269 907 L C -0.879 175.950 176.870 -0.068 0.000 1.084 907 L CA -0.435 54.283 54.840 -0.204 0.000 0.802 907 L CB 0.477 42.169 42.059 -0.612 0.000 1.175 907 L HN 0.696 nan 8.230 nan 0.000 0.448 908 F N 0.388 120.046 119.950 -0.487 0.000 2.926 908 F HA 0.519 5.050 4.527 0.008 0.000 0.321 908 F C -1.532 173.917 175.800 -0.585 0.000 1.168 908 F CA -1.110 56.369 58.000 -0.869 0.000 0.890 908 F CB 1.109 39.916 39.000 -0.321 0.000 1.357 908 F HN 0.354 nan 8.300 nan 0.000 0.468 909 H N 1.651 120.562 119.070 -0.264 0.000 2.572 909 H HA 0.754 5.315 4.556 0.008 0.000 0.359 909 H C -0.765 174.533 175.328 -0.051 0.000 1.134 909 H CA -0.575 55.368 56.048 -0.174 0.000 1.187 909 H CB 2.767 32.548 29.762 0.032 0.000 1.597 909 H HN 0.796 nan 8.280 nan 0.000 0.524 910 I N -1.561 118.872 120.570 -0.227 0.000 3.067 910 I HA 0.353 4.528 4.170 0.008 0.000 0.312 910 I C -0.755 175.057 176.117 -0.508 0.000 1.073 910 I CA -0.993 60.164 61.300 -0.238 0.000 1.016 910 I CB 2.151 40.084 38.000 -0.112 0.000 1.227 910 I HN 0.442 nan 8.210 nan 0.000 0.456 911 D N 2.075 122.282 120.400 -0.323 0.000 2.927 911 D HA -0.198 4.447 4.640 0.008 0.000 0.236 911 D C -1.200 174.987 176.300 -0.188 0.000 1.163 911 D CA 1.141 55.036 54.000 -0.174 0.000 0.801 911 D CB -1.283 39.469 40.800 -0.080 0.000 0.975 911 D HN 0.443 nan 8.370 nan 0.000 0.413 912 F N -0.470 119.553 119.950 0.120 0.000 2.405 912 F HA 0.570 5.101 4.527 0.008 0.000 0.355 912 F C 1.629 177.464 175.800 0.059 0.000 1.121 912 F CA -0.512 57.550 58.000 0.103 0.000 1.112 912 F CB 1.837 40.895 39.000 0.096 0.000 1.126 912 F HN 0.053 nan 8.300 nan 0.000 0.481 913 G N 1.066 110.027 108.800 0.269 0.000 3.815 913 G HA2 0.141 4.106 3.960 0.008 0.000 0.265 913 G HA3 0.141 4.106 3.960 0.008 0.000 0.265 913 G C -0.825 174.123 174.900 0.079 0.000 1.026 913 G CA -0.008 45.176 45.100 0.140 0.000 0.868 913 G HN 0.590 nan 8.290 nan 0.000 0.476 914 H N 0.311 119.419 119.070 0.062 0.000 2.658 914 H HA 0.635 5.196 4.556 0.008 0.000 0.337 914 H C -0.663 174.789 175.328 0.207 0.000 1.009 914 H CA -0.896 55.214 56.048 0.103 0.000 1.231 914 H CB 1.292 31.136 29.762 0.137 0.000 1.508 914 H HN 0.262 nan 8.280 nan 0.000 0.517 915 F N -0.109 119.879 119.950 0.063 0.000 2.923 915 F HA 0.344 4.876 4.527 0.008 0.000 0.323 915 F C -0.648 175.053 175.800 -0.166 0.000 1.189 915 F CA -1.703 56.286 58.000 -0.018 0.000 0.930 915 F CB 1.217 40.219 39.000 0.004 0.000 1.414 915 F HN 0.347 nan 8.300 nan 0.000 0.496 916 L N 1.552 122.515 121.223 -0.433 0.000 3.948 916 L HA -0.271 4.074 4.340 0.008 0.000 0.453 916 L C 1.123 177.428 176.870 -0.942 0.000 1.137 916 L CA 1.106 55.387 54.840 -0.931 0.000 0.881 916 L CB -2.138 39.530 42.059 -0.652 0.000 1.797 916 L HN 1.337 nan 8.230 nan 0.000 0.957 917 G N -1.078 107.368 108.800 -0.590 0.000 2.234 917 G HA2 -0.349 3.616 3.960 0.008 0.000 0.260 917 G HA3 -0.349 3.616 3.960 0.008 0.000 0.260 917 G C 0.270 175.299 174.900 0.215 0.000 0.987 917 G CA 0.420 45.447 45.100 -0.123 0.000 0.625 917 G HN 0.650 nan 8.290 nan 0.000 0.532 918 N N 1.746 120.528 118.700 0.137 0.000 2.484 918 N HA 0.403 5.148 4.740 0.008 0.000 0.295 918 N C 0.739 176.401 175.510 0.254 0.000 1.240 918 N CA 0.144 53.277 53.050 0.138 0.000 1.085 918 N CB -0.237 38.274 38.487 0.040 0.000 1.465 918 N HN 0.604 nan 8.380 nan 0.000 0.496 930 V N 2.776 122.895 119.914 0.342 0.000 2.479 930 V HA 0.658 4.783 4.120 0.008 0.000 0.281 930 V C -1.697 174.573 176.094 0.294 0.000 1.031 930 V CA -1.128 61.330 62.300 0.264 0.000 1.038 930 V CB 0.331 32.314 31.823 0.267 0.000 0.981 930 V HN 0.571 nan 8.190 nan 0.000 0.478 931 P HA 0.150 nan 4.420 nan 0.000 0.269 931 P C -0.431 177.034 177.300 0.276 0.000 1.215 931 P CA -0.277 62.946 63.100 0.205 0.000 0.780 931 P CB 0.502 32.259 31.700 0.096 0.000 0.898 932 F N 2.345 122.318 119.950 0.039 0.000 2.518 932 F HA 0.179 4.711 4.527 0.008 0.000 0.359 932 F C 0.194 175.969 175.800 -0.042 0.000 1.118 932 F CA 0.176 58.124 58.000 -0.086 0.000 1.287 932 F CB 0.272 38.961 39.000 -0.518 0.000 1.132 932 F HN 0.084 nan 8.300 nan 0.000 0.587 933 I N 7.492 127.792 120.570 -0.449 0.000 2.436 933 I HA 0.289 4.464 4.170 0.008 0.000 0.289 933 I C -0.890 175.105 176.117 -0.202 0.000 1.010 933 I CA -0.627 60.552 61.300 -0.202 0.000 1.098 933 I CB 1.498 39.451 38.000 -0.078 0.000 1.266 933 I HN 0.524 nan 8.210 nan 0.000 0.434 934 L N 5.829 127.017 121.223 -0.057 0.000 2.345 934 L HA 0.340 4.684 4.340 0.008 0.000 0.274 934 L C 0.073 176.928 176.870 -0.024 0.000 0.999 934 L CA -0.338 54.517 54.840 0.026 0.000 0.849 934 L CB 1.680 43.775 42.059 0.059 0.000 1.220 934 L HN 0.543 nan 8.230 nan 0.000 0.422 935 T N 1.231 115.685 114.554 -0.166 0.000 2.794 935 T HA 0.001 4.356 4.350 0.008 0.000 0.296 935 T C 0.828 175.414 174.700 -0.190 0.000 0.949 935 T CA -0.116 61.757 62.100 -0.378 0.000 1.101 935 T CB 0.900 69.032 68.868 -1.226 0.000 0.905 935 T HN 0.420 nan 8.240 nan 0.000 0.516 936 Y N 3.176 123.410 120.300 -0.111 0.000 2.193 936 Y HA -0.237 4.318 4.550 0.008 0.000 0.285 936 Y C 1.681 177.591 175.900 0.017 0.000 1.166 936 Y CA 1.810 59.912 58.100 0.003 0.000 1.181 936 Y CB -0.162 38.371 38.460 0.121 0.000 0.976 936 Y HN 0.602 nan 8.280 nan 0.000 0.520 937 D N -0.911 119.372 120.400 -0.195 0.000 2.277 937 D HA -0.075 4.570 4.640 0.008 0.000 0.208 937 D C 1.786 178.169 176.300 0.138 0.000 0.962 937 D CA 0.780 54.695 54.000 -0.141 0.000 0.865 937 D CB -0.236 40.564 40.800 -0.000 0.000 0.939 937 D HN 0.290 nan 8.370 nan 0.000 0.510 938 F N 0.454 120.454 119.950 0.084 0.000 2.074 938 F HA -0.075 4.457 4.527 0.008 0.000 0.293 938 F C 2.546 178.392 175.800 0.075 0.000 1.116 938 F CA 0.121 58.278 58.000 0.262 0.000 1.212 938 F CB -1.362 37.810 39.000 0.287 0.000 0.998 938 F HN -0.175 nan 8.300 nan 0.000 0.471 939 V N 0.582 120.611 119.914 0.191 0.000 2.252 939 V HA -0.414 3.711 4.120 0.008 0.000 0.255 939 V C 2.404 178.465 176.094 -0.054 0.000 1.071 939 V CA 2.649 64.975 62.300 0.043 0.000 1.050 939 V CB -1.250 30.589 31.823 0.027 0.000 0.654 939 V HN 0.406 nan 8.190 nan 0.000 0.448 940 H N -0.312 118.574 119.070 -0.306 0.000 2.352 940 H HA -0.145 4.416 4.556 0.008 0.000 0.299 940 H C 2.015 177.219 175.328 -0.207 0.000 1.097 940 H CA 2.225 58.072 56.048 -0.335 0.000 1.311 940 H CB -0.234 29.224 29.762 -0.507 0.000 1.377 940 H HN 0.222 nan 8.280 nan 0.000 0.504 941 V N 0.219 119.992 119.914 -0.235 0.000 2.358 941 V HA -0.217 3.908 4.120 0.008 0.000 0.246 941 V C 2.555 178.481 176.094 -0.280 0.000 1.047 941 V CA 1.891 63.949 62.300 -0.403 0.000 1.035 941 V CB -0.521 30.781 31.823 -0.869 0.000 0.658 941 V HN 0.410 nan 8.190 nan 0.000 0.452 942 I N -0.258 120.243 120.570 -0.115 0.000 2.264 942 I HA -0.283 3.891 4.170 0.008 0.000 0.248 942 I C 2.215 178.331 176.117 -0.002 0.000 1.111 942 I CA 1.559 62.865 61.300 0.010 0.000 1.382 942 I CB -0.294 37.701 38.000 -0.008 0.000 1.060 942 I HN 0.350 nan 8.210 nan 0.000 0.418 943 Q N 0.851 120.618 119.800 -0.055 0.000 2.291 943 Q HA -0.014 4.331 4.340 0.008 0.000 0.211 943 Q C -0.010 175.909 176.000 -0.135 0.000 0.925 943 Q CA 0.002 55.773 55.803 -0.054 0.000 0.949 943 Q CB 0.089 28.796 28.738 -0.052 0.000 1.015 943 Q HN 0.483 nan 8.270 nan 0.000 0.477 944 Q N -1.579 118.128 119.800 -0.155 0.000 2.426 944 Q HA -0.314 4.031 4.340 0.008 0.000 0.254 944 Q C 0.737 176.601 176.000 -0.227 0.000 1.017 944 Q CA 0.483 56.193 55.803 -0.157 0.000 1.083 944 Q CB -1.988 26.707 28.738 -0.072 0.000 1.552 944 Q HN 0.697 nan 8.270 nan 0.000 0.532 945 G N -0.851 107.683 108.800 -0.443 0.000 2.179 945 G HA2 -0.273 3.691 3.960 0.008 0.000 0.220 945 G HA3 -0.273 3.691 3.960 0.008 0.000 0.220 945 G C -0.000 174.709 174.900 -0.318 0.000 0.990 945 G CA 0.122 44.880 45.100 -0.570 0.000 0.646 945 G HN 0.247 nan 8.290 nan 0.000 0.517 946 K N 0.637 120.908 120.400 -0.215 0.000 2.118 946 K HA 0.578 4.903 4.320 0.008 0.000 0.267 946 K C 1.539 178.118 176.600 -0.035 0.000 0.991 946 K CA 0.105 56.347 56.287 -0.076 0.000 0.916 946 K CB 1.067 33.536 32.500 -0.051 0.000 1.041 946 K HN 0.058 nan 8.250 nan 0.000 0.455 947 T N 0.795 115.354 114.554 0.009 0.000 2.788 947 T HA -0.080 4.274 4.350 0.008 0.000 0.268 947 T C 0.403 175.104 174.700 0.003 0.000 1.044 947 T CA 1.108 63.222 62.100 0.023 0.000 1.139 947 T CB -0.102 68.766 68.868 -0.001 0.000 0.867 947 T HN 0.499 nan 8.240 nan 0.000 0.454 948 N N 1.881 120.577 118.700 -0.007 0.000 2.258 948 N HA 0.406 5.151 4.740 0.008 0.000 0.299 948 N C -1.266 174.249 175.510 0.008 0.000 1.047 948 N CA -0.438 52.609 53.050 -0.006 0.000 0.814 948 N CB 1.734 40.218 38.487 -0.005 0.000 1.413 948 N HN 0.049 nan 8.380 nan 0.000 0.478 949 N N 0.290 119.009 118.700 0.031 0.000 3.029 949 N HA 0.004 4.749 4.740 0.008 0.000 0.198 949 N C -0.088 175.500 175.510 0.130 0.000 1.444 949 N CA -0.146 52.940 53.050 0.059 0.000 0.784 949 N CB -0.004 38.507 38.487 0.039 0.000 1.539 949 N HN 0.372 nan 8.380 nan 0.000 0.582 950 S N -0.422 115.354 115.700 0.128 0.000 2.447 950 S HA -0.083 4.392 4.470 0.008 0.000 0.233 950 S C 1.428 176.125 174.600 0.161 0.000 1.006 950 S CA 0.529 58.851 58.200 0.202 0.000 0.957 950 S CB 0.140 63.434 63.200 0.156 0.000 0.773 950 S HN 0.524 nan 8.310 nan 0.000 0.507 951 E N 1.502 121.762 120.200 0.099 0.000 2.058 951 E HA -0.178 4.177 4.350 0.008 0.000 0.194 951 E C 1.726 178.368 176.600 0.069 0.000 0.997 951 E CA 1.012 57.452 56.400 0.065 0.000 0.801 951 E CB 0.017 29.745 29.700 0.047 0.000 0.746 951 E HN 0.353 nan 8.360 nan 0.000 0.450 952 K N -0.143 120.318 120.400 0.102 0.000 2.137 952 K HA -0.074 4.251 4.320 0.008 0.000 0.202 952 K C 2.002 178.701 176.600 0.164 0.000 1.052 952 K CA 0.365 56.719 56.287 0.111 0.000 0.961 952 K CB -0.478 32.084 32.500 0.104 0.000 0.741 952 K HN 0.144 nan 8.250 nan 0.000 0.452 953 F N 3.042 123.048 119.950 0.093 0.000 2.134 953 F HA -0.143 4.389 4.527 0.008 0.000 0.299 953 F C 1.902 177.836 175.800 0.223 0.000 1.097 953 F CA 1.512 59.613 58.000 0.169 0.000 1.264 953 F CB 0.156 39.245 39.000 0.148 0.000 1.001 953 F HN -0.033 nan 8.300 nan 0.000 0.479 954 E N 0.254 120.447 120.200 -0.012 0.000 2.216 954 E HA -0.082 4.272 4.350 0.008 0.000 0.192 954 E C 2.357 178.807 176.600 -0.250 0.000 0.988 954 E CA 0.413 56.712 56.400 -0.168 0.000 0.834 954 E CB -0.352 29.334 29.700 -0.023 0.000 0.772 954 E HN 0.489 nan 8.360 nan 0.000 0.479 955 R N 0.192 120.562 120.500 -0.216 0.000 2.094 955 R HA -0.159 4.186 4.340 0.008 0.000 0.239 955 R C 2.310 178.180 176.300 -0.718 0.000 1.137 955 R CA 1.475 57.318 56.100 -0.429 0.000 0.943 955 R CB -0.666 29.435 30.300 -0.332 0.000 0.850 955 R HN 0.171 nan 8.270 nan 0.000 0.433 956 F N 1.936 121.567 119.950 -0.533 0.000 2.091 956 F HA -0.279 4.253 4.527 0.008 0.000 0.299 956 F C 2.586 178.222 175.800 -0.275 0.000 1.103 956 F CA 1.715 59.528 58.000 -0.310 0.000 1.228 956 F CB -0.311 38.631 39.000 -0.097 0.000 0.984 956 F HN -0.127 nan 8.300 nan 0.000 0.477 957 R N 0.234 120.394 120.500 -0.566 0.000 2.103 957 R HA -0.168 4.177 4.340 0.008 0.000 0.242 957 R C 2.493 178.487 176.300 -0.510 0.000 1.142 957 R CA 1.642 57.326 56.100 -0.693 0.000 0.960 957 R CB -1.224 28.624 30.300 -0.753 0.000 0.858 957 R HN 0.521 nan 8.270 nan 0.000 0.439 958 G N -0.147 108.394 108.800 -0.432 0.000 2.421 958 G HA2 -0.275 3.690 3.960 0.008 0.000 0.216 958 G HA3 -0.275 3.690 3.960 0.008 0.000 0.216 958 G C 0.968 175.768 174.900 -0.168 0.000 1.171 958 G CA 0.814 45.741 45.100 -0.289 0.000 0.775 958 G HN 0.287 nan 8.290 nan 0.000 0.543 959 Y N 0.940 121.101 120.300 -0.231 0.000 2.030 959 Y HA -0.231 4.324 4.550 0.008 0.000 0.272 959 Y C 3.246 178.968 175.900 -0.296 0.000 1.185 959 Y CA 0.482 58.428 58.100 -0.258 0.000 1.120 959 Y CB -1.494 36.821 38.460 -0.243 0.000 0.955 959 Y HN 0.235 nan 8.280 nan 0.000 0.495 960 C N -0.236 118.968 119.300 -0.159 0.000 2.403 960 C HA -0.200 4.265 4.460 0.008 0.000 0.277 960 C C 2.609 177.577 174.990 -0.035 0.000 1.248 960 C CA 1.127 60.114 59.018 -0.052 0.000 1.762 960 C CB -1.077 26.691 27.740 0.045 0.000 2.014 960 C HN 0.575 nan 8.230 nan 0.000 0.486 961 E N 0.158 120.305 120.200 -0.088 0.000 2.033 961 E HA -0.114 4.241 4.350 0.008 0.000 0.189 961 E C 2.444 178.992 176.600 -0.088 0.000 0.979 961 E CA 0.604 56.941 56.400 -0.106 0.000 0.802 961 E CB -0.175 29.479 29.700 -0.077 0.000 0.763 961 E HN 0.525 nan 8.360 nan 0.000 0.449 962 R N 0.591 121.047 120.500 -0.074 0.000 2.136 962 R HA -0.239 4.106 4.340 0.008 0.000 0.242 962 R C 2.372 178.632 176.300 -0.067 0.000 1.131 962 R CA 1.733 57.797 56.100 -0.059 0.000 0.937 962 R CB -0.450 29.818 30.300 -0.053 0.000 0.863 962 R HN 0.133 nan 8.270 nan 0.000 0.435 963 A N 0.042 122.763 122.820 -0.165 0.000 1.883 963 A HA -0.241 4.083 4.320 0.008 0.000 0.217 963 A C 2.029 179.729 177.584 0.192 0.000 1.186 963 A CA 1.528 53.434 52.037 -0.219 0.000 0.624 963 A CB -0.921 17.713 19.000 -0.610 0.000 0.822 963 A HN 0.522 nan 8.150 nan 0.000 0.444 964 Y N 1.957 122.200 120.300 -0.095 0.000 2.151 964 Y HA -0.260 4.295 4.550 0.008 0.000 0.284 964 Y C 2.795 178.619 175.900 -0.125 0.000 1.166 964 Y CA 2.507 60.489 58.100 -0.198 0.000 1.163 964 Y CB -0.643 37.332 38.460 -0.808 0.000 0.974 964 Y HN 0.451 nan 8.280 nan 0.000 0.511 965 T N -2.437 111.993 114.554 -0.206 0.000 3.067 965 T HA 0.015 4.370 4.350 0.008 0.000 0.257 965 T C 1.968 176.609 174.700 -0.099 0.000 1.105 965 T CA 0.993 62.951 62.100 -0.237 0.000 1.104 965 T CB -0.584 68.218 68.868 -0.111 0.000 0.925 965 T HN 0.391 nan 8.240 nan 0.000 0.498 966 I N 0.776 121.371 120.570 0.041 0.000 2.286 966 I HA -0.025 4.149 4.170 0.008 0.000 0.245 966 I C 2.389 178.626 176.117 0.200 0.000 1.104 966 I CA 1.033 62.430 61.300 0.162 0.000 1.397 966 I CB -0.260 37.927 38.000 0.312 0.000 1.072 966 I HN 0.207 nan 8.210 nan 0.000 0.417 967 L N 0.015 121.331 121.223 0.155 0.000 2.027 967 L HA -0.172 4.173 4.340 0.008 0.000 0.206 967 L C 2.712 179.586 176.870 0.007 0.000 1.074 967 L CA 1.185 56.090 54.840 0.109 0.000 0.745 967 L CB -0.677 41.355 42.059 -0.045 0.000 0.898 967 L HN 0.146 nan 8.230 nan 0.000 0.433 968 R N 0.163 120.538 120.500 -0.208 0.000 2.159 968 R HA -0.247 4.098 4.340 0.008 0.000 0.252 968 R C 2.360 178.592 176.300 -0.113 0.000 1.144 968 R CA 1.850 57.818 56.100 -0.221 0.000 0.961 968 R CB -0.429 29.667 30.300 -0.340 0.000 0.877 968 R HN 0.405 nan 8.270 nan 0.000 0.444 969 R N -0.739 119.701 120.500 -0.100 0.000 2.193 969 R HA -0.108 4.237 4.340 0.008 0.000 0.229 969 R C 0.867 176.975 176.300 -0.320 0.000 1.110 969 R CA 1.178 57.160 56.100 -0.196 0.000 0.988 969 R CB -0.138 30.016 30.300 -0.242 0.000 0.871 969 R HN 0.503 nan 8.270 nan 0.000 0.458 970 H N -1.466 117.622 119.070 0.031 0.000 2.505 970 H HA 0.194 4.754 4.556 0.008 0.000 0.286 970 H C 1.691 177.092 175.328 0.122 0.000 1.072 970 H CA 0.126 56.202 56.048 0.046 0.000 1.141 970 H CB 0.608 30.397 29.762 0.045 0.000 1.550 970 H HN 0.243 nan 8.280 nan 0.000 0.547 971 G N 1.057 109.943 108.800 0.143 0.000 2.547 971 G HA2 -0.310 3.655 3.960 0.008 0.000 0.221 971 G HA3 -0.310 3.655 3.960 0.008 0.000 0.221 971 G C 1.559 176.486 174.900 0.045 0.000 1.140 971 G CA 0.951 46.111 45.100 0.100 0.000 0.760 971 G HN 0.389 nan 8.290 nan 0.000 0.583 972 L N -0.563 120.615 121.223 -0.075 0.000 2.083 972 L HA -0.049 4.295 4.340 0.008 0.000 0.209 972 L C 2.733 179.338 176.870 -0.441 0.000 1.083 972 L CA 0.652 55.314 54.840 -0.296 0.000 0.752 972 L CB -0.369 41.518 42.059 -0.287 0.000 0.899 972 L HN 0.276 nan 8.230 nan 0.000 0.433 973 L N -0.467 120.628 121.223 -0.212 0.000 2.012 973 L HA -0.224 4.121 4.340 0.008 0.000 0.210 973 L C 2.256 178.988 176.870 -0.230 0.000 1.073 973 L CA 1.944 56.636 54.840 -0.246 0.000 0.748 973 L CB -0.622 41.291 42.059 -0.243 0.000 0.891 973 L HN 0.024 nan 8.230 nan 0.000 0.431 974 F N -0.812 119.104 119.950 -0.056 0.000 2.171 974 F HA -0.178 4.354 4.527 0.008 0.000 0.300 974 F C 2.233 178.079 175.800 0.077 0.000 1.090 974 F CA 1.339 59.359 58.000 0.033 0.000 1.293 974 F CB -0.661 38.298 39.000 -0.069 0.000 1.013 974 F HN 0.024 nan 8.300 nan 0.000 0.486 975 L N -1.005 120.286 121.223 0.112 0.000 2.056 975 L HA -0.213 4.132 4.340 0.008 0.000 0.207 975 L C 2.351 179.334 176.870 0.188 0.000 1.078 975 L CA 1.518 56.410 54.840 0.088 0.000 0.749 975 L CB -1.000 41.059 42.059 -0.001 0.000 0.901 975 L HN 0.256 nan 8.230 nan 0.000 0.433 976 H N -0.279 118.835 119.070 0.073 0.000 2.353 976 H HA -0.125 4.436 4.556 0.008 0.000 0.300 976 H C 2.415 177.759 175.328 0.026 0.000 1.090 976 H CA 0.895 56.963 56.048 0.032 0.000 1.327 976 H CB 0.058 29.799 29.762 -0.036 0.000 1.383 976 H HN 0.219 nan 8.280 nan 0.000 0.508 977 L N -0.266 121.034 121.223 0.129 0.000 2.083 977 L HA -0.184 4.161 4.340 0.008 0.000 0.209 977 L C 1.835 178.743 176.870 0.063 0.000 1.083 977 L CA 0.950 55.810 54.840 0.034 0.000 0.752 977 L CB -0.251 41.783 42.059 -0.041 0.000 0.899 977 L HN 0.228 nan 8.230 nan 0.000 0.433 978 F N -0.349 119.620 119.950 0.032 0.000 2.367 978 F HA -0.050 4.482 4.527 0.009 0.000 0.298 978 F C 2.463 178.288 175.800 0.043 0.000 1.094 978 F CA 0.837 58.855 58.000 0.030 0.000 1.409 978 F CB -0.560 38.447 39.000 0.013 0.000 1.064 978 F HN -0.019 nan 8.300 nan 0.000 0.528 979 A N 0.153 123.106 122.820 0.222 0.000 1.898 979 A HA -0.107 4.218 4.320 0.008 0.000 0.216 979 A C 2.201 179.877 177.584 0.152 0.000 1.181 979 A CA 1.288 53.428 52.037 0.173 0.000 0.620 979 A CB -0.984 18.124 19.000 0.179 0.000 0.819 979 A HN 0.357 nan 8.150 nan 0.000 0.442 980 L N -1.102 120.192 121.223 0.119 0.000 2.141 980 L HA -0.147 4.197 4.340 0.008 0.000 0.209 980 L C 2.560 179.429 176.870 -0.002 0.000 1.094 980 L CA 0.759 55.655 54.840 0.094 0.000 0.763 980 L CB -0.515 41.565 42.059 0.035 0.000 0.908 980 L HN 0.309 nan 8.230 nan 0.000 0.437 981 M N -0.465 119.107 119.600 -0.046 0.000 2.394 981 M HA -0.104 4.381 4.480 0.008 0.000 0.264 981 M C 2.185 178.450 176.300 -0.058 0.000 1.073 981 M CA 1.267 56.500 55.300 -0.111 0.000 1.111 981 M CB -0.955 31.510 32.600 -0.225 0.000 1.401 981 M HN 0.194 nan 8.290 nan 0.000 0.448 982 R N 0.003 120.515 120.500 0.020 0.000 2.226 982 R HA -0.145 4.200 4.340 0.008 0.000 0.246 982 R C 1.817 178.111 176.300 -0.011 0.000 1.161 982 R CA 1.371 57.494 56.100 0.038 0.000 0.997 982 R CB -0.542 29.816 30.300 0.096 0.000 0.870 982 R HN 0.365 nan 8.270 nan 0.000 0.465 983 A N 0.337 123.100 122.820 -0.096 0.000 2.239 983 A HA 0.109 4.434 4.320 0.008 0.000 0.209 983 A C 1.965 179.386 177.584 -0.272 0.000 1.171 983 A CA 1.077 52.901 52.037 -0.355 0.000 0.768 983 A CB -0.140 18.266 19.000 -0.991 0.000 0.790 983 A HN 0.365 nan 8.150 nan 0.000 0.478 984 A N -1.261 121.458 122.820 -0.168 0.000 2.081 984 A HA 0.425 4.750 4.320 0.008 0.000 0.214 984 A C 1.727 179.242 177.584 -0.115 0.000 1.158 984 A CA 0.998 52.953 52.037 -0.138 0.000 0.724 984 A CB -0.721 18.211 19.000 -0.113 0.000 0.826 984 A HN 1.780 nan 8.150 nan 0.000 0.463 985 G N -0.702 108.035 108.800 -0.106 0.000 2.314 985 G HA2 -0.159 3.806 3.960 0.008 0.000 0.292 985 G HA3 -0.159 3.806 3.960 0.008 0.000 0.292 985 G C -0.351 174.512 174.900 -0.062 0.000 1.059 985 G CA 0.248 45.295 45.100 -0.088 0.000 0.982 985 G HN 0.354 nan 8.290 nan 0.000 0.505 986 L N 0.283 121.479 121.223 -0.046 0.000 2.260 986 L HA 0.420 4.765 4.340 0.008 0.000 0.289 986 L C -0.391 176.467 176.870 -0.020 0.000 1.057 986 L CA -1.929 52.888 54.840 -0.038 0.000 0.811 986 L CB 1.450 43.495 42.059 -0.024 0.000 1.184 986 L HN -0.066 nan 8.230 nan 0.000 0.429 987 P HA -0.202 nan 4.420 nan 0.000 0.217 987 P C 0.588 177.881 177.300 -0.012 0.000 1.148 987 P CA 1.347 64.425 63.100 -0.036 0.000 0.834 987 P CB 0.321 31.986 31.700 -0.058 0.000 0.783 988 E N -1.846 118.363 120.200 0.015 0.000 2.474 988 E HA 0.107 4.462 4.350 0.008 0.000 0.195 988 E C 0.068 176.808 176.600 0.234 0.000 1.039 988 E CA -0.135 56.329 56.400 0.108 0.000 0.881 988 E CB 0.043 29.812 29.700 0.116 0.000 0.970 988 E HN 0.066 nan 8.360 nan 0.000 0.486 989 L N 0.216 121.545 121.223 0.176 0.000 2.529 989 L HA 0.257 4.602 4.340 0.008 0.000 0.246 989 L C -0.002 176.912 176.870 0.074 0.000 1.394 989 L CA 0.132 55.072 54.840 0.167 0.000 0.906 989 L CB 0.931 43.130 42.059 0.233 0.000 1.170 989 L HN -0.193 nan 8.230 nan 0.000 0.501 990 S N -0.425 115.303 115.700 0.048 0.000 2.564 990 S HA 0.272 4.746 4.470 0.008 0.000 0.231 990 S C 0.474 175.075 174.600 0.001 0.000 1.067 990 S CA 0.363 58.568 58.200 0.008 0.000 0.908 990 S CB 0.265 63.463 63.200 -0.003 0.000 0.809 990 S HN 0.731 nan 8.310 nan 0.000 0.491 991 C N -1.039 118.272 119.300 0.019 0.000 3.276 991 C HA 0.637 5.102 4.460 0.008 0.000 0.370 991 C C 1.582 176.590 174.990 0.030 0.000 1.624 991 C CA -0.463 58.563 59.018 0.014 0.000 1.179 991 C CB 0.727 28.471 27.740 0.006 0.000 1.909 991 C HN 0.104 nan 8.230 nan 0.000 0.434 992 S N 0.919 116.634 115.700 0.025 0.000 2.382 992 S HA -0.119 4.356 4.470 0.008 0.000 0.228 992 S C 1.780 176.403 174.600 0.039 0.000 1.027 992 S CA 1.498 59.716 58.200 0.030 0.000 0.991 992 S CB -0.284 62.930 63.200 0.023 0.000 0.823 992 S HN 0.715 nan 8.310 nan 0.000 0.469 993 K N 1.781 122.208 120.400 0.045 0.000 2.147 993 K HA -0.047 4.278 4.320 0.008 0.000 0.205 993 K C 1.481 178.138 176.600 0.094 0.000 1.049 993 K CA 1.047 57.374 56.287 0.067 0.000 0.936 993 K CB -0.783 31.760 32.500 0.071 0.000 0.722 993 K HN 0.394 nan 8.250 nan 0.000 0.446 994 D N 0.888 121.330 120.400 0.069 0.000 2.117 994 D HA -0.121 4.523 4.640 0.008 0.000 0.197 994 D C 1.967 178.283 176.300 0.027 0.000 0.987 994 D CA 0.723 54.749 54.000 0.045 0.000 0.829 994 D CB -0.069 40.750 40.800 0.033 0.000 0.961 994 D HN 0.051 nan 8.370 nan 0.000 0.460 995 I N 0.880 121.469 120.570 0.031 0.000 2.202 995 I HA -0.219 3.956 4.170 0.008 0.000 0.242 995 I C 2.474 178.589 176.117 -0.004 0.000 1.091 995 I CA 0.942 62.246 61.300 0.007 0.000 1.368 995 I CB -0.978 37.044 38.000 0.037 0.000 1.058 995 I HN -0.001 nan 8.210 nan 0.000 0.410 996 Q N 0.507 120.321 119.800 0.023 0.000 2.152 996 Q HA -0.276 4.069 4.340 0.008 0.000 0.206 996 Q C 2.205 178.207 176.000 0.002 0.000 0.985 996 Q CA 1.801 57.609 55.803 0.009 0.000 0.863 996 Q CB -0.807 27.944 28.738 0.022 0.000 0.904 996 Q HN 0.554 nan 8.270 nan 0.000 0.422 997 Y N -0.373 119.878 120.300 -0.082 0.000 2.165 997 Y HA -0.233 4.322 4.550 0.008 0.000 0.286 997 Y C 1.757 177.561 175.900 -0.160 0.000 1.155 997 Y CA 1.723 59.763 58.100 -0.099 0.000 1.164 997 Y CB -0.054 38.345 38.460 -0.102 0.000 0.978 997 Y HN 0.159 nan 8.280 nan 0.000 0.513 998 L N 0.028 121.253 121.223 0.004 0.000 2.056 998 L HA -0.246 4.098 4.340 0.008 0.000 0.207 998 L C 2.381 179.164 176.870 -0.145 0.000 1.078 998 L CA 1.553 56.300 54.840 -0.154 0.000 0.749 998 L CB -0.415 41.444 42.059 -0.335 0.000 0.901 998 L HN 0.208 nan 8.230 nan 0.000 0.433 999 K N -0.173 120.163 120.400 -0.106 0.000 2.044 999 K HA -0.212 4.113 4.320 0.008 0.000 0.210 999 K C 1.596 178.141 176.600 -0.093 0.000 1.049 999 K CA 1.755 57.990 56.287 -0.085 0.000 0.927 999 K CB -0.307 32.159 32.500 -0.057 0.000 0.713 999 K HN 0.344 nan 8.250 nan 0.000 0.443 1000 D N 0.261 120.585 120.400 -0.127 0.000 2.224 1000 D HA -0.090 4.554 4.640 0.008 0.000 0.205 1000 D C 2.069 178.304 176.300 -0.108 0.000 0.965 1000 D CA 1.351 55.269 54.000 -0.136 0.000 0.852 1000 D CB -0.036 40.649 40.800 -0.191 0.000 0.947 1000 D HN 0.242 nan 8.370 nan 0.000 0.494 1001 S N 0.097 115.696 115.700 -0.168 0.000 2.425 1001 S HA 0.009 4.483 4.470 0.008 0.000 0.225 1001 S C 1.894 176.553 174.600 0.098 0.000 1.024 1001 S CA 0.201 58.322 58.200 -0.131 0.000 0.951 1001 S CB -0.362 62.654 63.200 -0.307 0.000 0.796 1001 S HN 0.183 nan 8.310 nan 0.000 0.498 1002 L N 1.410 122.634 121.223 0.001 0.000 2.611 1002 L HA 0.438 4.782 4.340 0.008 0.000 0.229 1002 L C 1.313 178.183 176.870 0.000 0.000 1.137 1002 L CA 0.133 54.959 54.840 -0.024 0.000 0.901 1002 L CB -0.576 41.392 42.059 -0.152 0.000 1.098 1002 L HN 0.420 nan 8.230 nan 0.000 0.456 1003 A N 0.752 123.600 122.820 0.048 0.000 2.462 1003 A HA -0.232 4.093 4.320 0.008 0.000 0.294 1003 A C 1.554 179.124 177.584 -0.024 0.000 1.461 1003 A CA 0.603 52.650 52.037 0.015 0.000 0.765 1003 A CB -1.430 17.623 19.000 0.089 0.000 1.071 1003 A HN 0.401 nan 8.150 nan 0.000 0.401 1004 L N -0.623 120.573 121.223 -0.046 0.000 2.291 1004 L HA -0.060 4.285 4.340 0.008 0.000 0.214 1004 L C 2.177 179.021 176.870 -0.042 0.000 1.120 1004 L CA 2.412 57.219 54.840 -0.054 0.000 0.799 1004 L CB -1.085 40.938 42.059 -0.060 0.000 0.925 1004 L HN 0.716 nan 8.230 nan 0.000 0.446 1005 G N -0.594 108.183 108.800 -0.039 0.000 2.712 1005 G HA2 -0.091 3.873 3.960 0.008 0.000 0.212 1005 G HA3 -0.091 3.873 3.960 0.008 0.000 0.212 1005 G C 0.980 175.863 174.900 -0.028 0.000 1.142 1005 G CA -0.142 44.939 45.100 -0.032 0.000 0.789 1005 G HN 0.268 nan 8.290 nan 0.000 0.535 1006 K N 0.475 120.859 120.400 -0.028 0.000 2.127 1006 K HA 0.375 4.700 4.320 0.008 0.000 0.240 1006 K C 0.540 177.134 176.600 -0.010 0.000 1.024 1006 K CA -0.306 55.971 56.287 -0.018 0.000 0.918 1006 K CB 0.703 33.194 32.500 -0.013 0.000 1.108 1006 K HN 0.139 nan 8.250 nan 0.000 0.485 1007 T N -2.176 112.378 114.554 -0.001 0.000 2.899 1007 T HA 0.022 4.377 4.350 0.008 0.000 0.295 1007 T C 1.096 175.802 174.700 0.011 0.000 1.033 1007 T CA -0.398 61.703 62.100 0.002 0.000 1.084 1007 T CB 1.236 70.107 68.868 0.006 0.000 0.979 1007 T HN 0.683 nan 8.240 nan 0.000 0.532 1008 E N 0.768 120.969 120.200 0.002 0.000 2.265 1008 E HA -0.167 4.188 4.350 0.008 0.000 0.196 1008 E C 1.699 178.317 176.600 0.029 0.000 0.996 1008 E CA 0.956 57.360 56.400 0.007 0.000 0.832 1008 E CB 0.104 29.796 29.700 -0.012 0.000 0.756 1008 E HN 0.801 nan 8.360 nan 0.000 0.491 1009 E N 0.411 120.626 120.200 0.026 0.000 2.015 1009 E HA -0.198 4.156 4.350 0.008 0.000 0.191 1009 E C 2.017 178.652 176.600 0.057 0.000 0.991 1009 E CA 1.101 57.522 56.400 0.035 0.000 0.802 1009 E CB -0.058 29.656 29.700 0.024 0.000 0.759 1009 E HN 0.301 nan 8.360 nan 0.000 0.447 1010 E N 0.674 120.906 120.200 0.052 0.000 2.038 1010 E HA -0.213 4.142 4.350 0.008 0.000 0.195 1010 E C 1.990 178.663 176.600 0.121 0.000 1.000 1010 E CA 1.314 57.755 56.400 0.067 0.000 0.803 1010 E CB -0.150 29.572 29.700 0.037 0.000 0.750 1010 E HN 0.235 nan 8.360 nan 0.000 0.448 1011 A N 0.620 123.517 122.820 0.128 0.000 1.902 1011 A HA -0.181 4.143 4.320 0.008 0.000 0.217 1011 A C 2.120 179.907 177.584 0.339 0.000 1.181 1011 A CA 1.124 53.296 52.037 0.225 0.000 0.623 1011 A CB -0.531 18.575 19.000 0.178 0.000 0.818 1011 A HN 0.228 nan 8.150 nan 0.000 0.443 1012 L N -0.480 120.891 121.223 0.246 0.000 2.056 1012 L HA -0.067 4.278 4.340 0.008 0.000 0.207 1012 L C 2.237 179.227 176.870 0.200 0.000 1.078 1012 L CA 2.470 57.453 54.840 0.238 0.000 0.749 1012 L CB -0.561 41.578 42.059 0.133 0.000 0.901 1012 L HN 0.364 nan 8.230 nan 0.000 0.433 1013 K N -1.599 118.887 120.400 0.143 0.000 2.155 1013 K HA -0.212 4.113 4.320 0.008 0.000 0.203 1013 K C 2.239 178.895 176.600 0.093 0.000 1.052 1013 K CA 1.501 57.841 56.287 0.088 0.000 0.948 1013 K CB -0.282 32.261 32.500 0.072 0.000 0.728 1013 K HN 0.529 nan 8.250 nan 0.000 0.448 1014 H N -0.818 118.293 119.070 0.068 0.000 2.270 1014 H HA -0.118 4.442 4.556 0.008 0.000 0.299 1014 H C 1.686 177.028 175.328 0.023 0.000 1.077 1014 H CA 2.287 58.368 56.048 0.055 0.000 1.294 1014 H CB -0.607 29.211 29.762 0.092 0.000 1.371 1014 H HN 0.226 nan 8.280 nan 0.000 0.491 1015 F N 1.447 121.318 119.950 -0.132 0.000 2.147 1015 F HA -0.225 4.306 4.527 0.008 0.000 0.301 1015 F C 2.307 177.878 175.800 -0.382 0.000 1.084 1015 F CA 1.745 59.513 58.000 -0.388 0.000 1.268 1015 F CB -0.233 38.437 39.000 -0.550 0.000 1.009 1015 F HN 0.095 nan 8.300 nan 0.000 0.486 1016 R N -0.433 119.921 120.500 -0.244 0.000 2.148 1016 R HA -0.089 4.256 4.340 0.008 0.000 0.227 1016 R C 2.087 178.232 176.300 -0.258 0.000 1.103 1016 R CA 1.358 57.284 56.100 -0.290 0.000 0.983 1016 R CB -0.452 29.773 30.300 -0.124 0.000 0.874 1016 R HN 0.290 nan 8.270 nan 0.000 0.451 1017 V N 1.290 121.055 119.914 -0.248 0.000 2.323 1017 V HA -0.203 3.922 4.120 0.008 0.000 0.244 1017 V C 2.157 178.097 176.094 -0.257 0.000 1.041 1017 V CA 1.443 63.624 62.300 -0.199 0.000 1.025 1017 V CB -0.363 31.365 31.823 -0.159 0.000 0.656 1017 V HN 0.156 nan 8.190 nan 0.000 0.451 1018 K N -0.034 120.123 120.400 -0.407 0.000 2.044 1018 K HA -0.227 4.097 4.320 0.008 0.000 0.210 1018 K C 2.057 178.413 176.600 -0.406 0.000 1.049 1018 K CA 2.012 58.055 56.287 -0.406 0.000 0.927 1018 K CB -0.888 31.282 32.500 -0.551 0.000 0.713 1018 K HN 0.518 nan 8.250 nan 0.000 0.443 1019 F N 2.761 122.224 119.950 -0.811 0.000 2.051 1019 F HA -0.232 4.300 4.527 0.008 0.000 0.296 1019 F C 2.036 177.682 175.800 -0.256 0.000 1.122 1019 F CA 1.486 59.041 58.000 -0.742 0.000 1.201 1019 F CB -0.297 38.076 39.000 -1.044 0.000 0.978 1019 F HN 0.050 nan 8.300 nan 0.000 0.472 1020 N N 0.921 119.709 118.700 0.147 0.000 2.037 1020 N HA -0.252 4.492 4.740 0.008 0.000 0.196 1020 N C 1.734 177.241 175.510 -0.005 0.000 1.034 1020 N CA 2.048 55.169 53.050 0.119 0.000 0.861 1020 N CB -0.775 37.752 38.487 0.066 0.000 1.039 1020 N HN 0.504 nan 8.380 nan 0.000 0.427 1021 E N 0.339 120.503 120.200 -0.059 0.000 2.147 1021 E HA -0.177 4.177 4.350 0.008 0.000 0.199 1021 E C 1.840 178.405 176.600 -0.058 0.000 1.005 1021 E CA 1.289 57.653 56.400 -0.061 0.000 0.810 1021 E CB -0.091 29.562 29.700 -0.078 0.000 0.736 1021 E HN 0.428 nan 8.360 nan 0.000 0.460 1022 A N 0.718 123.486 122.820 -0.087 0.000 1.897 1022 A HA -0.115 4.210 4.320 0.008 0.000 0.215 1022 A C 2.091 179.633 177.584 -0.070 0.000 1.181 1022 A CA 0.705 52.706 52.037 -0.061 0.000 0.620 1022 A CB -0.429 18.587 19.000 0.026 0.000 0.821 1022 A HN 0.208 nan 8.150 nan 0.000 0.443 1023 L N 1.183 122.344 121.223 -0.104 0.000 2.012 1023 L HA -0.202 4.143 4.340 0.008 0.000 0.210 1023 L C 2.651 179.515 176.870 -0.010 0.000 1.073 1023 L CA 2.568 57.389 54.840 -0.031 0.000 0.748 1023 L CB -0.645 41.438 42.059 0.041 0.000 0.891 1023 L HN 0.599 nan 8.230 nan 0.000 0.431 1024 R N -0.964 119.529 120.500 -0.012 0.000 2.200 1024 R HA -0.201 4.143 4.340 0.008 0.000 0.234 1024 R C 1.871 178.160 176.300 -0.019 0.000 1.127 1024 R CA 1.513 57.606 56.100 -0.011 0.000 0.989 1024 R CB -0.601 29.691 30.300 -0.013 0.000 0.869 1024 R HN 0.368 nan 8.270 nan 0.000 0.459 1025 E N 1.633 121.817 120.200 -0.026 0.000 2.158 1025 E HA -0.021 4.334 4.350 0.008 0.000 0.191 1025 E C 0.123 176.706 176.600 -0.028 0.000 0.982 1025 E CA 0.538 56.913 56.400 -0.042 0.000 0.823 1025 E CB 0.033 29.707 29.700 -0.044 0.000 0.766 1025 E HN 0.251 nan 8.360 nan 0.000 0.468 1026 S N 0.842 116.556 115.700 0.023 0.000 2.670 1026 S HA -0.042 4.433 4.470 0.008 0.000 0.308 1026 S C -0.614 174.068 174.600 0.137 0.000 1.232 1026 S CA -0.123 58.146 58.200 0.116 0.000 1.126 1026 S CB -0.721 62.569 63.200 0.150 0.000 0.897 1026 S HN 0.277 nan 8.310 nan 0.000 0.508 1027 W N 0.000 121.206 121.300 -0.157 0.000 2.388 1027 W HA 0.000 4.665 4.660 0.008 0.000 0.303 1027 W CA 0.000 57.217 57.345 -0.214 0.000 1.226 1027 W CB 0.000 29.232 29.460 -0.380 0.000 1.126 1027 W HN 0.000 nan 8.180 nan 0.000 0.535