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 2xgj_1_B DATA FIRST_RESID 117 DATA SEQUENCE HQVRHQVALP PNYDYTPIAE HKRVNEARTY PFTLDPFQDT AISCIDRGES DATA SEQUENCE VLVSAHTSAG KTVVAEYAIA QSLKNKQRVI YTSPIKALSN QKYRELLAEF DATA SEQUENCE GDVGLMTGDI TINPDAGCLV MTTEILRSML YRGSEVMREV AWVIFDEVHY DATA SEQUENCE MRDKERGVVW EETIILLPDK VRYVFLSATI PNAMEFAEWI CKIHSQPCHI DATA SEQUENCE VYTNFRPTPL QHYLFPAHGD GIYLVVDEKS TFREENFQKA MASISXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXKGDIYK IVKMIWKKKY NPVIVFSFSK DATA SEQUENCE RDCEELALKM SKLDFNSDDE KEALTKIFNN AIALLPETDR ELPQIKHILP DATA SEQUENCE LLRRGIGIHH SGLLPILKEV IEILFQEGFL KVLFATETFS IGXXXPAKTV DATA SEQUENCE VFTSVXXXXX XXXXXVSGGE YIQMSGRAGR RGLDDRGIVI MMIDEKMEPQ DATA SEQUENCE VAKGMVKGQA DRLDSAFHLG YNMILNLMRV EGISPEFMLE HSFFQFQNVI DATA SEQUENCE SVPVMEKKLA ELKKDFDGIE VEDEENVKEY HEIEQAIKGY REDVRQVVTH DATA SEQUENCE PANALXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXXXXXXXX XXXPVKNMKI DATA SEQUENCE EDEDFLKLMK KIDVLNTKLS SNPLTNSMRL EELYGKYSRK HDLHEDMKQL DATA SEQUENCE KRKISESQAV IQLDDLRRRK RVLRRLGFCT PNDIIELKGR VACEISSGDE DATA SEQUENCE LLLTELIFNG NFNELKPEQA AALLSCFAFQ ERCKEAPRLK PELAEPLKAM DATA SEQUENCE REIAAKIAKI MKDSKIEVVE KDYVESFRHE LMEVVYEWCR GATFTQICKM DATA SEQUENCE TDVYEGSLIR MFKRLEELVK ELVDVANTIG NSSLKEKMEA VLKLIHRDIV DATA SEQUENCE SAGSLYL 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 117 H HA 0.000 nan 4.556 nan 0.000 0.296 117 H C 0.000 175.360 175.328 0.054 0.000 0.993 117 H CA 0.000 56.087 56.048 0.065 0.000 1.023 117 H CB 0.000 29.832 29.762 0.116 0.000 1.292 118 Q N 1.523 121.423 119.800 0.167 0.000 2.322 118 Q HA 0.571 4.909 4.340 -0.003 0.000 0.265 118 Q C -1.721 174.378 176.000 0.165 0.000 0.985 118 Q CA -0.654 55.210 55.803 0.102 0.000 0.849 118 Q CB 1.791 30.599 28.738 0.116 0.000 1.274 118 Q HN 0.529 nan 8.270 nan 0.000 0.449 119 V N 5.036 125.021 119.914 0.118 0.000 2.417 119 V HA 0.531 4.650 4.120 -0.003 0.000 0.291 119 V C -0.187 176.024 176.094 0.194 0.000 1.024 119 V CA -0.807 61.601 62.300 0.181 0.000 0.861 119 V CB 1.536 33.469 31.823 0.184 0.000 0.985 119 V HN 0.811 nan 8.190 nan 0.000 0.436 120 R N 3.738 124.385 120.500 0.246 0.000 2.349 120 R HA 0.417 4.755 4.340 -0.003 0.000 0.299 120 R C -0.930 175.537 176.300 0.278 0.000 1.027 120 R CA -0.451 55.784 56.100 0.226 0.000 0.958 120 R CB 0.687 31.100 30.300 0.187 0.000 1.047 120 R HN 0.909 nan 8.270 nan 0.000 0.468 121 H N 4.328 123.484 119.070 0.144 0.000 3.018 121 H HA 0.252 4.806 4.556 -0.003 0.000 0.334 121 H C -1.573 173.837 175.328 0.136 0.000 0.983 121 H CA -0.450 55.695 56.048 0.162 0.000 1.363 121 H CB 1.303 31.169 29.762 0.174 0.000 1.668 121 H HN 0.731 nan 8.280 nan 0.000 0.513 122 Q N 2.991 122.625 119.800 -0.277 0.000 2.399 122 Q HA 0.575 4.913 4.340 -0.003 0.000 0.276 122 Q C -1.094 174.665 176.000 -0.401 0.000 1.098 122 Q CA -1.202 54.471 55.803 -0.218 0.000 0.827 122 Q CB 3.706 32.393 28.738 -0.084 0.000 1.386 122 Q HN 0.315 nan 8.270 nan 0.000 0.443 123 V N 0.105 119.834 119.914 -0.308 0.000 2.960 123 V HA 0.870 4.988 4.120 -0.003 0.000 0.315 123 V C -1.480 174.418 176.094 -0.327 0.000 1.087 123 V CA -0.611 61.423 62.300 -0.444 0.000 0.982 123 V CB 1.977 33.369 31.823 -0.718 0.000 1.039 123 V HN 0.886 nan 8.190 nan 0.000 0.437 124 A N 5.929 128.556 122.820 -0.323 0.000 2.304 124 A HA 0.852 5.170 4.320 -0.003 0.000 0.314 124 A C -1.224 176.196 177.584 -0.273 0.000 1.187 124 A CA -0.489 51.418 52.037 -0.217 0.000 0.810 124 A CB 0.751 19.677 19.000 -0.123 0.000 1.183 124 A HN 0.766 nan 8.150 nan 0.000 0.487 125 L N 3.180 124.266 121.223 -0.229 0.000 2.342 125 L HA 0.536 4.874 4.340 -0.003 0.000 0.271 125 L C -2.224 174.570 176.870 -0.127 0.000 1.008 125 L CA -2.106 52.590 54.840 -0.241 0.000 0.818 125 L CB 2.349 44.288 42.059 -0.199 0.000 1.296 125 L HN 0.472 nan 8.230 nan 0.000 0.427 126 P HA 0.234 nan 4.420 nan 0.000 0.274 126 P C -2.574 174.759 177.300 0.056 0.000 1.237 126 P CA -1.280 61.806 63.100 -0.022 0.000 0.793 126 P CB -0.238 31.459 31.700 -0.004 0.000 0.977 127 P HA 0.024 nan 4.420 nan 0.000 0.263 127 P C -0.442 176.914 177.300 0.094 0.000 1.195 127 P CA 0.540 63.677 63.100 0.061 0.000 0.762 127 P CB -0.225 31.501 31.700 0.042 0.000 0.799 128 N N 0.213 118.971 118.700 0.096 0.000 2.756 128 N HA -0.251 4.487 4.740 -0.003 0.000 0.248 128 N C -0.736 174.853 175.510 0.132 0.000 1.062 128 N CA 0.689 53.795 53.050 0.094 0.000 0.696 128 N CB -2.255 36.268 38.487 0.060 0.000 0.946 128 N HN 0.507 nan 8.380 nan 0.000 0.548 129 Y N 0.432 120.760 120.300 0.046 0.000 2.352 129 Y HA 0.393 4.941 4.550 -0.004 0.000 0.326 129 Y C 0.744 176.703 175.900 0.099 0.000 1.166 129 Y CA 0.001 58.139 58.100 0.064 0.000 1.182 129 Y CB 0.859 39.353 38.460 0.056 0.000 1.216 129 Y HN 0.221 nan 8.280 nan 0.000 0.474 130 D N 5.654 125.702 120.400 -0.586 0.000 2.608 130 D HA 0.093 4.731 4.640 -0.003 0.000 0.224 130 D C -0.922 175.312 176.300 -0.110 0.000 1.123 130 D CA -0.157 53.658 54.000 -0.309 0.000 1.030 130 D CB -0.746 39.858 40.800 -0.327 0.000 1.093 130 D HN 0.488 nan 8.370 nan 0.000 0.497 131 Y N 0.852 121.217 120.300 0.108 0.000 2.304 131 Y HA 0.466 5.014 4.550 -0.003 0.000 0.327 131 Y C 0.254 176.240 175.900 0.143 0.000 1.209 131 Y CA -0.536 57.716 58.100 0.254 0.000 1.299 131 Y CB 1.698 40.326 38.460 0.280 0.000 1.249 131 Y HN 0.161 nan 8.280 nan 0.000 0.519 132 T N 8.308 122.516 114.554 -0.576 0.000 2.890 132 T HA 0.296 4.644 4.350 -0.003 0.000 0.295 132 T C -2.814 171.395 174.700 -0.817 0.000 0.993 132 T CA -1.448 60.351 62.100 -0.502 0.000 0.979 132 T CB 1.296 70.059 68.868 -0.174 0.000 0.967 132 T HN 0.430 nan 8.240 nan 0.000 0.441 133 P HA -0.003 nan 4.420 nan 0.000 0.257 133 P C 0.826 178.044 177.300 -0.135 0.000 1.153 133 P CA -0.061 62.859 63.100 -0.300 0.000 0.762 133 P CB 0.303 31.955 31.700 -0.079 0.000 0.743 134 I N 4.564 125.150 120.570 0.027 0.000 2.567 134 I HA -0.214 3.954 4.170 -0.003 0.000 0.257 134 I C 1.878 178.005 176.117 0.017 0.000 1.184 134 I CA 1.419 62.752 61.300 0.056 0.000 1.451 134 I CB -0.543 37.515 38.000 0.096 0.000 1.089 134 I HN 0.396 nan 8.210 nan 0.000 0.441 135 A N -0.035 122.775 122.820 -0.016 0.000 2.121 135 A HA -0.068 4.250 4.320 -0.003 0.000 0.218 135 A C 2.173 179.758 177.584 0.003 0.000 1.154 135 A CA 1.563 53.588 52.037 -0.019 0.000 0.679 135 A CB -0.993 17.993 19.000 -0.024 0.000 0.795 135 A HN 0.514 nan 8.150 nan 0.000 0.458 136 E N -0.798 119.408 120.200 0.010 0.000 2.478 136 E HA 0.062 4.410 4.350 -0.003 0.000 0.194 136 E C 0.596 177.213 176.600 0.029 0.000 1.045 136 E CA 0.384 56.787 56.400 0.006 0.000 0.868 136 E CB -0.683 29.010 29.700 -0.012 0.000 0.885 136 E HN 0.870 nan 8.360 nan 0.000 0.505 137 H N 0.356 119.405 119.070 -0.035 0.000 2.646 137 H HA 0.494 5.048 4.556 -0.004 0.000 0.325 137 H C -0.426 174.889 175.328 -0.022 0.000 1.075 137 H CA -0.248 55.787 56.048 -0.022 0.000 1.421 137 H CB 1.317 31.071 29.762 -0.013 0.000 1.461 137 H HN 0.084 nan 8.280 nan 0.000 0.525 138 K N 4.238 124.298 120.400 -0.567 0.000 2.339 138 K HA 0.297 4.615 4.320 -0.003 0.000 0.264 138 K C -0.771 175.516 176.600 -0.522 0.000 0.986 138 K CA -0.616 55.439 56.287 -0.387 0.000 0.866 138 K CB 0.611 32.986 32.500 -0.209 0.000 1.103 138 K HN 0.633 nan 8.250 nan 0.000 0.441 139 R N 3.179 123.534 120.500 -0.243 0.000 2.343 139 R HA 0.155 4.493 4.340 -0.003 0.000 0.326 139 R C -0.160 176.118 176.300 -0.036 0.000 1.055 139 R CA -0.384 55.682 56.100 -0.056 0.000 0.961 139 R CB 0.075 30.417 30.300 0.071 0.000 0.978 139 R HN 0.511 nan 8.270 nan 0.000 0.443 140 V N 0.474 120.374 119.914 -0.024 0.000 2.547 140 V HA 0.330 4.448 4.120 -0.003 0.000 0.299 140 V C 0.085 176.199 176.094 0.032 0.000 1.040 140 V CA -1.112 61.185 62.300 -0.005 0.000 0.913 140 V CB 1.527 33.337 31.823 -0.021 0.000 0.992 140 V HN 0.962 nan 8.190 nan 0.000 0.449 141 N N 0.577 119.290 118.700 0.023 0.000 2.756 141 N HA -0.196 4.542 4.740 -0.003 0.000 0.248 141 N C -0.053 175.483 175.510 0.044 0.000 1.062 141 N CA 1.051 54.115 53.050 0.024 0.000 0.696 141 N CB -1.275 37.224 38.487 0.020 0.000 0.946 141 N HN 1.030 nan 8.380 nan 0.000 0.548 142 E N 0.036 120.277 120.200 0.067 0.000 2.534 142 E HA 0.059 4.407 4.350 -0.003 0.000 0.264 142 E C 1.206 177.837 176.600 0.051 0.000 0.981 142 E CA 0.644 57.125 56.400 0.136 0.000 0.948 142 E CB 0.435 30.218 29.700 0.139 0.000 0.934 142 E HN 0.484 nan 8.360 nan 0.000 0.459 143 A N 5.320 128.129 122.820 -0.019 0.000 2.067 143 A HA -0.017 4.301 4.320 -0.003 0.000 0.217 143 A C 0.952 178.374 177.584 -0.270 0.000 1.156 143 A CA 0.884 52.744 52.037 -0.295 0.000 0.683 143 A CB 0.099 18.672 19.000 -0.712 0.000 0.808 143 A HN 0.602 nan 8.150 nan 0.000 0.455 144 R N -0.395 120.012 120.500 -0.155 0.000 2.579 144 R HA 0.349 4.687 4.340 -0.003 0.000 0.260 144 R C -1.631 174.516 176.300 -0.256 0.000 1.103 144 R CA 0.184 56.154 56.100 -0.216 0.000 0.942 144 R CB 1.064 31.204 30.300 -0.268 0.000 1.251 144 R HN 0.216 nan 8.270 nan 0.000 0.450 145 T N 0.509 114.845 114.554 -0.364 0.000 2.855 145 T HA 0.557 4.905 4.350 -0.003 0.000 0.281 145 T C -0.676 173.688 174.700 -0.560 0.000 1.007 145 T CA -0.547 61.357 62.100 -0.327 0.000 1.009 145 T CB 1.059 69.831 68.868 -0.159 0.000 0.983 145 T HN 0.372 nan 8.240 nan 0.000 0.455 146 Y N 1.281 121.429 120.300 -0.253 0.000 2.487 146 Y HA 0.473 5.022 4.550 -0.002 0.000 0.337 146 Y C -1.724 173.831 175.900 -0.575 0.000 1.076 146 Y CA -2.703 55.081 58.100 -0.526 0.000 1.115 146 Y CB 1.319 39.271 38.460 -0.848 0.000 1.235 146 Y HN 0.483 nan 8.280 nan 0.000 0.468 147 P HA 0.035 nan 4.420 nan 0.000 0.252 147 P C -1.280 175.960 177.300 -0.100 0.000 1.265 147 P CA 0.647 63.613 63.100 -0.223 0.000 0.775 147 P CB -0.253 31.401 31.700 -0.076 0.000 1.128 148 F N -4.819 115.183 119.950 0.087 0.000 2.715 148 F HA 0.561 5.087 4.527 -0.002 0.000 0.318 148 F C -0.357 175.463 175.800 0.034 0.000 1.141 148 F CA -1.600 56.428 58.000 0.047 0.000 0.950 148 F CB 0.015 39.035 39.000 0.033 0.000 1.374 148 F HN -0.555 nan 8.300 nan 0.000 0.477 149 T N 3.067 117.803 114.554 0.305 0.000 2.794 149 T HA 0.470 4.818 4.350 -0.003 0.000 0.296 149 T C 0.085 174.904 174.700 0.198 0.000 0.949 149 T CA -0.394 61.812 62.100 0.175 0.000 1.101 149 T CB 0.274 69.199 68.868 0.095 0.000 0.905 149 T HN 0.462 nan 8.240 nan 0.000 0.516 150 L N 2.392 123.685 121.223 0.118 0.000 2.416 150 L HA 0.334 4.672 4.340 -0.003 0.000 0.272 150 L C 1.248 178.089 176.870 -0.048 0.000 1.161 150 L CA -0.524 54.331 54.840 0.026 0.000 0.845 150 L CB -0.115 41.897 42.059 -0.078 0.000 1.119 150 L HN 0.804 nan 8.230 nan 0.000 0.464 151 D N 3.642 123.982 120.400 -0.100 0.000 2.423 151 D HA 0.129 4.767 4.640 -0.003 0.000 0.238 151 D C -1.594 174.654 176.300 -0.086 0.000 1.142 151 D CA -1.304 52.664 54.000 -0.053 0.000 0.884 151 D CB 0.163 41.003 40.800 0.066 0.000 1.199 151 D HN 0.446 nan 8.370 nan 0.000 0.438 152 P HA -0.183 nan 4.420 nan 0.000 0.217 152 P C 1.506 178.818 177.300 0.020 0.000 1.151 152 P CA 1.775 64.863 63.100 -0.021 0.000 0.849 152 P CB -0.147 31.532 31.700 -0.035 0.000 0.787 153 F N -0.248 119.699 119.950 -0.004 0.000 2.259 153 F HA -0.091 4.434 4.527 -0.003 0.000 0.298 153 F C 2.000 177.806 175.800 0.010 0.000 1.088 153 F CA 0.942 58.962 58.000 0.032 0.000 1.358 153 F CB -1.382 37.657 39.000 0.066 0.000 1.040 153 F HN -0.104 nan 8.300 nan 0.000 0.505 154 Q N 0.675 119.815 119.800 -1.100 0.000 2.016 154 Q HA -0.205 4.133 4.340 -0.003 0.000 0.200 154 Q C 1.863 177.624 176.000 -0.400 0.000 0.978 154 Q CA 1.849 57.141 55.803 -0.852 0.000 0.833 154 Q CB -0.518 27.738 28.738 -0.803 0.000 0.895 154 Q HN 0.549 nan 8.270 nan 0.000 0.427 155 D N -0.188 120.040 120.400 -0.287 0.000 2.158 155 D HA -0.168 4.470 4.640 -0.003 0.000 0.197 155 D C 1.589 177.800 176.300 -0.149 0.000 0.995 155 D CA 1.832 55.723 54.000 -0.182 0.000 0.846 155 D CB 0.069 40.800 40.800 -0.116 0.000 0.941 155 D HN 0.131 nan 8.370 nan 0.000 0.456 156 T N -0.548 113.940 114.554 -0.111 0.000 2.701 156 T HA -0.053 4.295 4.350 -0.003 0.000 0.263 156 T C 2.006 176.664 174.700 -0.070 0.000 1.040 156 T CA 1.574 63.636 62.100 -0.064 0.000 1.147 156 T CB -0.638 68.241 68.868 0.018 0.000 0.865 156 T HN 0.281 nan 8.240 nan 0.000 0.426 157 A N 1.140 123.928 122.820 -0.054 0.000 1.933 157 A HA -0.002 4.316 4.320 -0.003 0.000 0.218 157 A C 2.301 179.801 177.584 -0.140 0.000 1.175 157 A CA 1.137 53.149 52.037 -0.042 0.000 0.628 157 A CB -0.842 18.163 19.000 0.009 0.000 0.814 157 A HN 0.525 nan 8.150 nan 0.000 0.444 158 I N -0.203 120.223 120.570 -0.240 0.000 2.286 158 I HA -0.221 3.947 4.170 -0.003 0.000 0.248 158 I C 2.557 178.448 176.117 -0.377 0.000 1.115 158 I CA 1.380 62.421 61.300 -0.431 0.000 1.392 158 I CB -0.254 37.397 38.000 -0.581 0.000 1.065 158 I HN 0.241 nan 8.210 nan 0.000 0.418 159 S N 0.065 115.628 115.700 -0.229 0.000 2.368 159 S HA -0.168 4.300 4.470 -0.003 0.000 0.224 159 S C 2.185 176.636 174.600 -0.248 0.000 1.029 159 S CA 1.330 59.431 58.200 -0.166 0.000 0.988 159 S CB -0.361 62.802 63.200 -0.062 0.000 0.838 159 S HN 0.500 nan 8.310 nan 0.000 0.462 160 C N 1.630 120.799 119.300 -0.219 0.000 2.413 160 C HA -0.044 4.414 4.460 -0.003 0.000 0.276 160 C C 2.412 177.389 174.990 -0.022 0.000 1.236 160 C CA 0.364 59.251 59.018 -0.218 0.000 1.735 160 C CB -1.433 26.136 27.740 -0.285 0.000 2.031 160 C HN 0.551 nan 8.230 nan 0.000 0.474 161 I N 0.957 121.511 120.570 -0.026 0.000 2.286 161 I HA -0.184 3.984 4.170 -0.003 0.000 0.248 161 I C 2.260 178.452 176.117 0.126 0.000 1.115 161 I CA 1.832 63.134 61.300 0.003 0.000 1.392 161 I CB -0.571 37.296 38.000 -0.222 0.000 1.065 161 I HN 0.330 nan 8.210 nan 0.000 0.418 162 D N 1.040 121.487 120.400 0.078 0.000 2.117 162 D HA -0.164 4.474 4.640 -0.003 0.000 0.197 162 D C 2.242 178.616 176.300 0.123 0.000 0.987 162 D CA 1.297 55.399 54.000 0.170 0.000 0.829 162 D CB 0.059 40.973 40.800 0.190 0.000 0.961 162 D HN 0.093 nan 8.370 nan 0.000 0.460 163 R N -1.035 119.451 120.500 -0.023 0.000 2.307 163 R HA 0.184 4.522 4.340 -0.003 0.000 0.199 163 R C 0.953 177.337 176.300 0.140 0.000 1.000 163 R CA 0.611 56.717 56.100 0.011 0.000 1.023 163 R CB 0.219 30.448 30.300 -0.118 0.000 0.908 163 R HN 0.227 nan 8.270 nan 0.000 0.473 164 G N 1.777 110.725 108.800 0.248 0.000 2.248 164 G HA2 -0.259 3.699 3.960 -0.003 0.000 0.263 164 G HA3 -0.259 3.699 3.960 -0.003 0.000 0.263 164 G C -0.634 174.374 174.900 0.180 0.000 1.082 164 G CA -0.109 45.172 45.100 0.302 0.000 0.863 164 G HN 0.381 nan 8.290 nan 0.000 0.495 165 E N 0.241 120.609 120.200 0.279 0.000 2.234 165 E HA 0.521 4.869 4.350 -0.003 0.000 0.266 165 E C 0.089 176.886 176.600 0.328 0.000 0.877 165 E CA -0.743 55.797 56.400 0.235 0.000 0.758 165 E CB 1.581 31.466 29.700 0.308 0.000 1.170 165 E HN 0.184 nan 8.360 nan 0.000 0.415 166 S N 1.058 116.900 115.700 0.237 0.000 2.569 166 S HA 0.204 4.672 4.470 -0.003 0.000 0.274 166 S C -0.284 174.561 174.600 0.408 0.000 1.353 166 S CA -0.425 57.970 58.200 0.325 0.000 1.023 166 S CB 0.973 64.362 63.200 0.316 0.000 0.876 166 S HN 0.352 nan 8.310 nan 0.000 0.540 167 V N 2.923 123.081 119.914 0.408 0.000 2.969 167 V HA 0.561 4.679 4.120 -0.003 0.000 0.304 167 V C -1.808 174.532 176.094 0.409 0.000 1.192 167 V CA -0.899 61.627 62.300 0.378 0.000 0.962 167 V CB 2.038 34.015 31.823 0.257 0.000 1.045 167 V HN 0.715 nan 8.190 nan 0.000 0.428 168 L N 7.432 128.882 121.223 0.379 0.000 2.280 168 L HA 0.720 5.058 4.340 -0.003 0.000 0.287 168 L C -0.808 176.196 176.870 0.222 0.000 1.023 168 L CA 0.074 55.113 54.840 0.331 0.000 0.819 168 L CB 1.555 43.751 42.059 0.228 0.000 1.212 168 L HN 0.488 nan 8.230 nan 0.000 0.420 169 V N 4.333 124.369 119.914 0.203 0.000 2.348 169 V HA 0.411 4.529 4.120 -0.003 0.000 0.270 169 V C 0.373 176.513 176.094 0.077 0.000 1.037 169 V CA -0.256 62.151 62.300 0.180 0.000 0.872 169 V CB 0.919 32.881 31.823 0.231 0.000 1.002 169 V HN 0.848 nan 8.190 nan 0.000 0.464 170 S N 4.229 119.932 115.700 0.004 0.000 2.498 170 S HA 0.848 5.316 4.470 -0.003 0.000 0.324 170 S C -0.227 174.149 174.600 -0.374 0.000 1.071 170 S CA 0.145 58.257 58.200 -0.147 0.000 1.113 170 S CB 0.665 63.825 63.200 -0.067 0.000 0.976 170 S HN 1.143 nan 8.310 nan 0.000 0.462 171 A N 4.002 126.606 122.820 -0.359 0.000 2.610 171 A HA 0.643 4.961 4.320 -0.003 0.000 0.291 171 A C -1.304 176.066 177.584 -0.356 0.000 1.086 171 A CA -0.845 50.930 52.037 -0.437 0.000 0.677 171 A CB 0.494 19.232 19.000 -0.436 0.000 1.278 171 A HN 0.890 nan 8.150 nan 0.000 0.414 172 H N 0.820 119.736 119.070 -0.257 0.000 2.757 172 H HA 0.374 4.928 4.556 -0.003 0.000 0.370 172 H C 1.208 176.456 175.328 -0.132 0.000 1.172 172 H CA 1.526 57.457 56.048 -0.195 0.000 1.426 172 H CB 0.614 30.250 29.762 -0.209 0.000 1.438 172 H HN 0.773 nan 8.280 nan 0.000 0.612 173 T N -0.444 114.128 114.554 0.030 0.000 2.932 173 T HA 0.111 4.459 4.350 -0.003 0.000 0.312 173 T C 0.814 175.525 174.700 0.019 0.000 1.071 173 T CA -0.052 62.063 62.100 0.024 0.000 1.128 173 T CB 0.572 69.454 68.868 0.023 0.000 0.984 173 T HN 0.727 nan 8.240 nan 0.000 0.549 174 S N 0.106 115.827 115.700 0.036 0.000 2.857 174 S HA -0.230 4.238 4.470 -0.003 0.000 0.268 174 S C 1.527 176.152 174.600 0.042 0.000 1.297 174 S CA 0.641 58.856 58.200 0.025 0.000 1.280 174 S CB -1.922 61.270 63.200 -0.013 0.000 1.562 174 S HN 1.321 nan 8.310 nan 0.000 0.661 175 A N 0.807 123.676 122.820 0.081 0.000 1.968 175 A HA 0.490 4.808 4.320 -0.003 0.000 0.217 175 A C 1.740 179.522 177.584 0.330 0.000 1.169 175 A CA 1.469 53.624 52.037 0.197 0.000 0.638 175 A CB -0.494 18.568 19.000 0.102 0.000 0.812 175 A HN 2.143 nan 8.150 nan 0.000 0.446 176 G N -1.017 107.938 108.800 0.258 0.000 2.462 176 G HA2 -0.097 3.861 3.960 -0.003 0.000 0.124 176 G HA3 -0.097 3.861 3.960 -0.003 0.000 0.124 176 G C 0.377 175.415 174.900 0.230 0.000 1.062 176 G CA 0.309 45.528 45.100 0.199 0.000 0.764 176 G HN 0.341 nan 8.290 nan 0.000 0.485 177 K N -0.219 120.322 120.400 0.235 0.000 2.186 177 K HA -0.012 4.306 4.320 -0.003 0.000 0.202 177 K C 2.837 179.534 176.600 0.162 0.000 1.052 177 K CA 1.528 57.950 56.287 0.224 0.000 0.965 177 K CB -0.065 32.559 32.500 0.207 0.000 0.746 177 K HN 0.537 nan 8.250 nan 0.000 0.457 178 T N -0.895 113.755 114.554 0.160 0.000 2.803 178 T HA -0.117 4.231 4.350 -0.003 0.000 0.269 178 T C 2.009 176.815 174.700 0.176 0.000 1.052 178 T CA 1.075 63.282 62.100 0.179 0.000 1.136 178 T CB -0.645 68.322 68.868 0.165 0.000 0.864 178 T HN -0.115 nan 8.240 nan 0.000 0.467 179 V N 1.379 121.359 119.914 0.111 0.000 2.380 179 V HA -0.181 3.937 4.120 -0.003 0.000 0.251 179 V C 2.901 179.040 176.094 0.074 0.000 1.063 179 V CA 1.708 64.021 62.300 0.022 0.000 1.055 179 V CB -0.775 30.882 31.823 -0.277 0.000 0.657 179 V HN 0.454 nan 8.190 nan 0.000 0.455 180 V N -0.059 119.878 119.914 0.038 0.000 2.323 180 V HA -0.195 3.923 4.120 -0.003 0.000 0.244 180 V C 2.672 178.836 176.094 0.116 0.000 1.041 180 V CA 1.840 64.168 62.300 0.045 0.000 1.025 180 V CB -1.083 30.752 31.823 0.019 0.000 0.656 180 V HN 0.558 nan 8.190 nan 0.000 0.451 181 A N -0.113 122.797 122.820 0.151 0.000 1.883 181 A HA -0.271 4.047 4.320 -0.003 0.000 0.217 181 A C 2.150 179.834 177.584 0.166 0.000 1.186 181 A CA 2.043 54.182 52.037 0.171 0.000 0.624 181 A CB -0.538 18.644 19.000 0.304 0.000 0.822 181 A HN 0.636 nan 8.150 nan 0.000 0.444 182 E N -1.849 118.508 120.200 0.261 0.000 2.118 182 E HA -0.229 4.119 4.350 -0.003 0.000 0.195 182 E C 1.851 178.615 176.600 0.273 0.000 0.992 182 E CA 1.492 58.111 56.400 0.364 0.000 0.804 182 E CB -0.307 29.686 29.700 0.488 0.000 0.741 182 E HN 0.818 nan 8.360 nan 0.000 0.458 183 Y N 1.001 121.389 120.300 0.146 0.000 2.242 183 Y HA -0.170 4.378 4.550 -0.002 0.000 0.291 183 Y C 2.289 178.090 175.900 -0.165 0.000 1.137 183 Y CA 1.295 59.420 58.100 0.042 0.000 1.181 183 Y CB -0.125 38.382 38.460 0.078 0.000 0.989 183 Y HN -0.002 nan 8.280 nan 0.000 0.527 184 A N 0.157 122.914 122.820 -0.106 0.000 1.972 184 A HA -0.143 4.175 4.320 -0.003 0.000 0.219 184 A C 2.195 179.514 177.584 -0.442 0.000 1.169 184 A CA 1.828 53.577 52.037 -0.479 0.000 0.635 184 A CB -0.945 17.736 19.000 -0.531 0.000 0.810 184 A HN 0.576 nan 8.150 nan 0.000 0.446 185 I N -0.520 119.850 120.570 -0.333 0.000 2.162 185 I HA -0.203 3.965 4.170 -0.003 0.000 0.238 185 I C 3.001 178.787 176.117 -0.552 0.000 1.076 185 I CA 0.963 61.980 61.300 -0.472 0.000 1.353 185 I CB -0.490 37.079 38.000 -0.718 0.000 1.063 185 I HN 0.325 nan 8.210 nan 0.000 0.408 186 A N 0.359 122.871 122.820 -0.512 0.000 1.948 186 A HA -0.326 3.992 4.320 -0.003 0.000 0.220 186 A C 2.291 179.694 177.584 -0.302 0.000 1.177 186 A CA 2.312 54.183 52.037 -0.276 0.000 0.636 186 A CB -0.828 18.150 19.000 -0.036 0.000 0.815 186 A HN 0.573 nan 8.150 nan 0.000 0.449 187 Q N -0.286 119.266 119.800 -0.413 0.000 2.046 187 Q HA -0.128 4.210 4.340 -0.003 0.000 0.200 187 Q C 2.190 178.080 176.000 -0.183 0.000 0.975 187 Q CA 1.956 57.554 55.803 -0.341 0.000 0.836 187 Q CB -0.212 28.280 28.738 -0.410 0.000 0.896 187 Q HN 0.569 nan 8.270 nan 0.000 0.428 188 S N 0.968 116.560 115.700 -0.179 0.000 2.353 188 S HA -0.155 4.313 4.470 -0.003 0.000 0.222 188 S C 1.898 176.455 174.600 -0.071 0.000 1.035 188 S CA 1.452 59.620 58.200 -0.053 0.000 1.025 188 S CB -0.435 62.751 63.200 -0.023 0.000 0.902 188 S HN 0.387 nan 8.310 nan 0.000 0.440 189 L N 1.449 122.595 121.223 -0.129 0.000 2.079 189 L HA -0.163 4.175 4.340 -0.003 0.000 0.210 189 L C 2.602 179.433 176.870 -0.065 0.000 1.081 189 L CA 1.349 56.131 54.840 -0.097 0.000 0.752 189 L CB -0.522 41.463 42.059 -0.124 0.000 0.896 189 L HN 0.341 nan 8.230 nan 0.000 0.433 190 K N 0.513 120.865 120.400 -0.081 0.000 2.026 190 K HA -0.162 4.156 4.320 -0.003 0.000 0.208 190 K C 1.343 177.921 176.600 -0.038 0.000 1.048 190 K CA 1.510 57.761 56.287 -0.061 0.000 0.929 190 K CB 0.018 32.467 32.500 -0.085 0.000 0.713 190 K HN 0.296 nan 8.250 nan 0.000 0.439 191 N N 1.610 120.292 118.700 -0.030 0.000 2.434 191 N HA -0.016 4.722 4.740 -0.003 0.000 0.196 191 N C -0.615 174.892 175.510 -0.005 0.000 1.183 191 N CA 0.417 53.463 53.050 -0.007 0.000 0.849 191 N CB 0.334 38.831 38.487 0.016 0.000 0.992 191 N HN 0.210 nan 8.380 nan 0.000 0.460 192 K N 0.123 120.514 120.400 -0.014 0.000 3.071 192 K HA -0.224 4.094 4.320 -0.003 0.000 0.265 192 K C -0.413 176.182 176.600 -0.008 0.000 1.060 192 K CA 0.695 56.975 56.287 -0.012 0.000 0.767 192 K CB -1.222 31.273 32.500 -0.009 0.000 1.241 192 K HN 0.481 nan 8.250 nan 0.000 0.486 193 Q N 0.065 119.863 119.800 -0.004 0.000 2.240 193 Q HA 0.472 4.810 4.340 -0.003 0.000 0.260 193 Q C -0.054 175.945 176.000 -0.001 0.000 1.018 193 Q CA -1.045 54.761 55.803 0.006 0.000 0.898 193 Q CB 1.642 30.401 28.738 0.034 0.000 1.301 193 Q HN 0.130 nan 8.270 nan 0.000 0.469 194 R N 0.058 120.559 120.500 0.001 0.000 2.643 194 R HA 0.680 5.018 4.340 -0.003 0.000 0.272 194 R C -1.057 175.250 176.300 0.013 0.000 0.995 194 R CA -0.743 55.355 56.100 -0.004 0.000 1.032 194 R CB 1.787 32.082 30.300 -0.009 0.000 1.126 194 R HN 0.358 nan 8.270 nan 0.000 0.505 195 V N 3.663 123.578 119.914 0.001 0.000 2.808 195 V HA 0.479 4.597 4.120 -0.003 0.000 0.308 195 V C -1.177 174.923 176.094 0.010 0.000 1.099 195 V CA -0.680 61.634 62.300 0.022 0.000 0.920 195 V CB 1.967 33.793 31.823 0.004 0.000 1.014 195 V HN 0.616 nan 8.190 nan 0.000 0.425 196 I N 6.590 127.162 120.570 0.002 0.000 2.377 196 I HA 0.416 4.584 4.170 -0.003 0.000 0.293 196 I C -1.282 174.825 176.117 -0.017 0.000 0.987 196 I CA -0.662 60.627 61.300 -0.017 0.000 1.185 196 I CB 1.719 39.675 38.000 -0.074 0.000 1.341 196 I HN 0.742 nan 8.210 nan 0.000 0.455 197 Y N 5.929 126.178 120.300 -0.086 0.000 2.356 197 Y HA 0.379 4.927 4.550 -0.003 0.000 0.334 197 Y C -0.011 175.843 175.900 -0.076 0.000 0.958 197 Y CA -0.658 57.398 58.100 -0.074 0.000 1.196 197 Y CB 1.257 39.705 38.460 -0.019 0.000 1.137 197 Y HN 0.580 nan 8.280 nan 0.000 0.485 198 T N 1.662 116.058 114.554 -0.264 0.000 2.771 198 T HA 0.620 4.968 4.350 -0.003 0.000 0.281 198 T C -0.226 174.469 174.700 -0.009 0.000 0.982 198 T CA -0.790 61.233 62.100 -0.128 0.000 0.978 198 T CB 1.453 70.154 68.868 -0.279 0.000 0.930 198 T HN 0.482 nan 8.240 nan 0.000 0.447 199 S N 3.540 119.336 115.700 0.160 0.000 2.651 199 S HA 0.490 4.958 4.470 -0.003 0.000 0.291 199 S C -1.565 173.212 174.600 0.295 0.000 1.141 199 S CA -1.460 56.895 58.200 0.258 0.000 1.027 199 S CB 1.592 64.957 63.200 0.274 0.000 1.043 199 S HN 0.531 nan 8.310 nan 0.000 0.530 200 P HA 0.064 nan 4.420 nan 0.000 0.215 200 P C 0.192 177.645 177.300 0.255 0.000 1.157 200 P CA 0.923 64.346 63.100 0.538 0.000 0.859 200 P CB -0.064 31.855 31.700 0.365 0.000 0.786 201 I N -6.173 114.489 120.570 0.153 0.000 3.002 201 I HA 0.404 4.572 4.170 -0.003 0.000 0.310 201 I C 0.848 177.013 176.117 0.080 0.000 1.087 201 I CA -1.238 60.113 61.300 0.086 0.000 1.017 201 I CB 2.429 40.455 38.000 0.044 0.000 1.226 201 I HN -0.357 nan 8.210 nan 0.000 0.443 202 K N 2.376 122.812 120.400 0.061 0.000 2.032 202 K HA -0.133 4.185 4.320 -0.003 0.000 0.209 202 K C 2.072 178.704 176.600 0.053 0.000 1.048 202 K CA 2.073 58.393 56.287 0.054 0.000 0.927 202 K CB -0.361 32.170 32.500 0.052 0.000 0.712 202 K HN 0.807 nan 8.250 nan 0.000 0.441 203 A N 1.359 124.213 122.820 0.058 0.000 1.892 203 A HA -0.207 4.111 4.320 -0.003 0.000 0.218 203 A C 2.082 179.665 177.584 -0.001 0.000 1.188 203 A CA 1.544 53.612 52.037 0.051 0.000 0.631 203 A CB -0.574 18.468 19.000 0.070 0.000 0.822 203 A HN 0.262 nan 8.150 nan 0.000 0.447 204 L N -0.479 120.760 121.223 0.027 0.000 2.217 204 L HA 0.021 4.359 4.340 -0.003 0.000 0.211 204 L C 2.411 179.302 176.870 0.034 0.000 1.107 204 L CA 2.119 56.974 54.840 0.026 0.000 0.783 204 L CB -0.458 41.661 42.059 0.100 0.000 0.919 204 L HN 0.274 nan 8.230 nan 0.000 0.442 205 S N -0.079 115.657 115.700 0.059 0.000 2.387 205 S HA -0.092 4.376 4.470 -0.003 0.000 0.226 205 S C 1.669 176.293 174.600 0.040 0.000 1.026 205 S CA 1.079 59.323 58.200 0.074 0.000 0.972 205 S CB -0.358 62.887 63.200 0.075 0.000 0.814 205 S HN 0.526 nan 8.310 nan 0.000 0.477 206 N N 1.802 120.500 118.700 -0.003 0.000 2.142 206 N HA -0.051 4.687 4.740 -0.003 0.000 0.186 206 N C 1.830 177.254 175.510 -0.143 0.000 1.023 206 N CA 1.000 54.048 53.050 -0.005 0.000 0.852 206 N CB -0.377 38.129 38.487 0.032 0.000 0.998 206 N HN 0.526 nan 8.380 nan 0.000 0.424 207 Q N 0.337 119.916 119.800 -0.367 0.000 2.079 207 Q HA -0.003 4.336 4.340 -0.003 0.000 0.200 207 Q C 1.590 177.467 176.000 -0.205 0.000 0.974 207 Q CA 0.817 56.316 55.803 -0.505 0.000 0.840 207 Q CB 0.026 28.474 28.738 -0.483 0.000 0.898 207 Q HN 0.193 nan 8.270 nan 0.000 0.430 208 K N 0.467 120.796 120.400 -0.118 0.000 2.097 208 K HA -0.155 4.163 4.320 -0.003 0.000 0.205 208 K C 1.923 178.459 176.600 -0.106 0.000 1.050 208 K CA 1.035 57.242 56.287 -0.132 0.000 0.938 208 K CB -0.474 31.920 32.500 -0.177 0.000 0.718 208 K HN 0.294 nan 8.250 nan 0.000 0.442 209 Y N 2.007 122.231 120.300 -0.127 0.000 2.207 209 Y HA -0.214 4.334 4.550 -0.003 0.000 0.287 209 Y C 2.487 178.363 175.900 -0.041 0.000 1.156 209 Y CA 1.689 59.745 58.100 -0.073 0.000 1.182 209 Y CB -0.120 38.320 38.460 -0.032 0.000 0.979 209 Y HN -0.022 nan 8.280 nan 0.000 0.521 210 R N 0.352 120.782 120.500 -0.117 0.000 2.070 210 R HA -0.165 4.173 4.340 -0.003 0.000 0.233 210 R C 2.111 178.316 176.300 -0.159 0.000 1.137 210 R CA 1.919 57.935 56.100 -0.140 0.000 0.945 210 R CB -0.206 30.114 30.300 0.032 0.000 0.845 210 R HN 0.409 nan 8.270 nan 0.000 0.430 211 E N 0.825 120.955 120.200 -0.116 0.000 2.038 211 E HA -0.218 4.130 4.350 -0.003 0.000 0.195 211 E C 2.183 178.719 176.600 -0.106 0.000 1.000 211 E CA 1.263 57.608 56.400 -0.091 0.000 0.803 211 E CB -0.309 29.348 29.700 -0.071 0.000 0.750 211 E HN 0.430 nan 8.360 nan 0.000 0.448 212 L N 0.436 121.588 121.223 -0.117 0.000 2.141 212 L HA -0.139 4.199 4.340 -0.003 0.000 0.209 212 L C 2.637 179.483 176.870 -0.041 0.000 1.094 212 L CA 0.353 55.184 54.840 -0.016 0.000 0.763 212 L CB -0.392 41.646 42.059 -0.035 0.000 0.908 212 L HN 0.112 nan 8.230 nan 0.000 0.437 213 L N 0.474 121.556 121.223 -0.236 0.000 2.046 213 L HA -0.124 4.214 4.340 -0.003 0.000 0.208 213 L C 2.668 179.448 176.870 -0.150 0.000 1.077 213 L CA 1.973 56.657 54.840 -0.260 0.000 0.747 213 L CB -0.640 41.093 42.059 -0.544 0.000 0.896 213 L HN 0.128 nan 8.230 nan 0.000 0.432 214 A N -0.981 121.748 122.820 -0.152 0.000 1.902 214 A HA -0.234 4.084 4.320 -0.003 0.000 0.217 214 A C 2.267 179.760 177.584 -0.151 0.000 1.181 214 A CA 1.844 53.809 52.037 -0.120 0.000 0.623 214 A CB -0.613 18.329 19.000 -0.097 0.000 0.818 214 A HN 0.518 nan 8.150 nan 0.000 0.443 215 E N -1.649 118.426 120.200 -0.208 0.000 2.122 215 E HA 0.034 4.382 4.350 -0.003 0.000 0.190 215 E C 1.099 177.353 176.600 -0.576 0.000 0.977 215 E CA 1.103 57.249 56.400 -0.422 0.000 0.820 215 E CB -0.129 29.238 29.700 -0.556 0.000 0.770 215 E HN 0.590 nan 8.360 nan 0.000 0.462 216 F N -2.124 117.773 119.950 -0.088 0.000 2.740 216 F HA 0.367 4.891 4.527 -0.005 0.000 0.304 216 F C 1.829 177.587 175.800 -0.070 0.000 1.098 216 F CA 0.514 58.467 58.000 -0.079 0.000 1.258 216 F CB 0.657 39.611 39.000 -0.077 0.000 1.061 216 F HN 0.166 nan 8.300 nan 0.000 0.598 217 G N -0.043 108.799 108.800 0.070 0.000 3.078 217 G HA2 -0.364 3.594 3.960 -0.003 0.000 0.227 217 G HA3 -0.364 3.594 3.960 -0.003 0.000 0.227 217 G C 0.546 175.469 174.900 0.039 0.000 1.306 217 G CA 0.498 45.613 45.100 0.024 0.000 0.841 217 G HN 0.309 nan 8.290 nan 0.000 0.530 218 D N 1.640 122.078 120.400 0.063 0.000 2.619 218 D HA 0.473 5.111 4.640 -0.003 0.000 0.224 218 D C -0.109 176.221 176.300 0.049 0.000 1.133 218 D CA 0.086 54.114 54.000 0.046 0.000 1.017 218 D CB -0.017 40.800 40.800 0.030 0.000 1.077 218 D HN 0.337 nan 8.370 nan 0.000 0.503 219 V N 1.258 121.213 119.914 0.069 0.000 2.709 219 V HA 0.801 4.919 4.120 -0.003 0.000 0.308 219 V C 0.821 177.063 176.094 0.246 0.000 1.062 219 V CA -0.892 61.473 62.300 0.108 0.000 0.901 219 V CB 1.971 33.820 31.823 0.043 0.000 1.003 219 V HN 0.363 nan 8.190 nan 0.000 0.425 220 G N 2.356 111.293 108.800 0.228 0.000 2.644 220 G HA2 0.785 4.743 3.960 -0.003 0.000 0.307 220 G HA3 0.785 4.743 3.960 -0.003 0.000 0.307 220 G C -1.858 173.101 174.900 0.097 0.000 1.250 220 G CA -0.722 44.490 45.100 0.188 0.000 0.996 220 G HN 0.650 nan 8.290 nan 0.000 0.489 221 L N -0.203 120.937 121.223 -0.139 0.000 2.470 221 L HA 0.692 5.030 4.340 -0.003 0.000 0.268 221 L C -0.695 176.085 176.870 -0.150 0.000 0.964 221 L CA -0.539 54.149 54.840 -0.253 0.000 0.839 221 L CB 1.871 43.493 42.059 -0.729 0.000 1.276 221 L HN 0.479 nan 8.230 nan 0.000 0.403 222 M N 5.400 124.951 119.600 -0.080 0.000 1.987 222 M HA 0.360 4.838 4.480 -0.003 0.000 0.298 222 M C -0.320 175.956 176.300 -0.040 0.000 0.892 222 M CA -0.419 54.849 55.300 -0.054 0.000 0.885 222 M CB 1.399 33.980 32.600 -0.031 0.000 1.469 222 M HN 0.779 nan 8.290 nan 0.000 0.389 223 T N -1.743 112.785 114.554 -0.042 0.000 2.889 223 T HA 0.591 4.939 4.350 -0.003 0.000 0.278 223 T C 1.221 175.916 174.700 -0.008 0.000 0.995 223 T CA -0.231 61.857 62.100 -0.019 0.000 0.966 223 T CB 1.468 70.328 68.868 -0.013 0.000 1.237 223 T HN 0.606 nan 8.240 nan 0.000 0.591 224 G N -0.452 108.352 108.800 0.007 0.000 2.484 224 G HA2 -0.010 3.948 3.960 -0.003 0.000 0.218 224 G HA3 -0.010 3.948 3.960 -0.003 0.000 0.218 224 G C 0.835 175.747 174.900 0.021 0.000 1.130 224 G CA 0.380 45.489 45.100 0.016 0.000 0.784 224 G HN 0.725 nan 8.290 nan 0.000 0.543 225 D N -0.620 119.793 120.400 0.022 0.000 2.262 225 D HA 0.170 4.808 4.640 -0.003 0.000 0.212 225 D C 0.341 176.652 176.300 0.018 0.000 0.964 225 D CA 0.193 54.214 54.000 0.035 0.000 0.875 225 D CB 0.839 41.669 40.800 0.049 0.000 0.996 225 D HN 0.302 nan 8.370 nan 0.000 0.497 226 I N -0.309 120.257 120.570 -0.007 0.000 2.769 226 I HA 0.298 4.466 4.170 -0.003 0.000 0.298 226 I C -1.342 174.743 176.117 -0.053 0.000 1.128 226 I CA -0.427 60.857 61.300 -0.027 0.000 1.031 226 I CB 2.516 40.495 38.000 -0.035 0.000 1.235 226 I HN -0.324 nan 8.210 nan 0.000 0.423 227 T N 7.535 122.058 114.554 -0.052 0.000 2.840 227 T HA 0.668 5.016 4.350 -0.003 0.000 0.287 227 T C -0.600 174.063 174.700 -0.062 0.000 0.991 227 T CA -0.190 61.875 62.100 -0.058 0.000 0.964 227 T CB 0.576 69.423 68.868 -0.036 0.000 0.954 227 T HN 0.328 nan 8.240 nan 0.000 0.438 228 I N 3.323 123.840 120.570 -0.090 0.000 2.468 228 I HA 0.316 4.484 4.170 -0.003 0.000 0.285 228 I C -0.658 175.446 176.117 -0.021 0.000 1.039 228 I CA -1.083 60.177 61.300 -0.067 0.000 1.074 228 I CB 1.637 39.557 38.000 -0.133 0.000 1.228 228 I HN 0.560 nan 8.210 nan 0.000 0.436 229 N N 5.355 124.061 118.700 0.011 0.000 2.614 229 N HA -0.153 4.585 4.740 -0.003 0.000 0.276 229 N C -2.215 173.306 175.510 0.019 0.000 1.119 229 N CA 0.170 53.236 53.050 0.028 0.000 0.742 229 N CB -0.804 37.720 38.487 0.062 0.000 0.900 229 N HN 0.425 nan 8.380 nan 0.000 0.549 230 P HA -0.060 nan 4.420 nan 0.000 0.222 230 P C 0.512 177.816 177.300 0.005 0.000 1.147 230 P CA 0.963 64.063 63.100 0.000 0.000 0.790 230 P CB 0.288 31.985 31.700 -0.005 0.000 0.780 231 D N -0.956 119.449 120.400 0.009 0.000 2.340 231 D HA 0.128 4.766 4.640 -0.003 0.000 0.220 231 D C 0.893 177.200 176.300 0.011 0.000 1.039 231 D CA 0.108 54.112 54.000 0.007 0.000 0.866 231 D CB -0.445 40.359 40.800 0.006 0.000 0.913 231 D HN 0.066 nan 8.370 nan 0.000 0.523 232 A N 0.346 123.178 122.820 0.020 0.000 2.547 232 A HA 0.337 4.655 4.320 -0.003 0.000 0.233 232 A C 1.811 179.402 177.584 0.012 0.000 1.067 232 A CA 0.539 52.591 52.037 0.025 0.000 0.763 232 A CB 0.249 19.279 19.000 0.050 0.000 1.007 232 A HN 0.220 nan 8.150 nan 0.000 0.506 233 G N -0.372 108.430 108.800 0.003 0.000 2.422 233 G HA2 0.005 3.963 3.960 -0.003 0.000 0.218 233 G HA3 0.005 3.963 3.960 -0.003 0.000 0.218 233 G C 0.668 175.553 174.900 -0.025 0.000 1.140 233 G CA 1.373 46.464 45.100 -0.014 0.000 0.775 233 G HN 1.062 nan 8.290 nan 0.000 0.545 234 C N 0.766 120.054 119.300 -0.020 0.000 2.340 234 C HA 0.758 5.216 4.460 -0.003 0.000 0.323 234 C C -0.398 174.609 174.990 0.027 0.000 1.260 234 C CA -1.389 57.614 59.018 -0.024 0.000 1.464 234 C CB -0.285 27.405 27.740 -0.084 0.000 2.156 234 C HN 0.177 nan 8.230 nan 0.000 0.476 235 L N 6.684 127.928 121.223 0.034 0.000 2.305 235 L HA 0.513 4.851 4.340 -0.003 0.000 0.284 235 L C -0.321 176.598 176.870 0.082 0.000 1.013 235 L CA -0.548 54.322 54.840 0.051 0.000 0.819 235 L CB 1.791 43.863 42.059 0.021 0.000 1.227 235 L HN 0.406 nan 8.230 nan 0.000 0.417 236 V N 5.573 125.552 119.914 0.108 0.000 2.385 236 V HA 0.400 4.518 4.120 -0.003 0.000 0.269 236 V C 0.323 176.460 176.094 0.072 0.000 1.043 236 V CA -0.159 62.222 62.300 0.135 0.000 0.906 236 V CB 1.030 32.944 31.823 0.153 0.000 0.995 236 V HN 0.797 nan 8.190 nan 0.000 0.467 237 M N 3.457 123.096 119.600 0.065 0.000 2.704 237 M HA 0.770 5.248 4.480 -0.003 0.000 0.284 237 M C -0.277 176.028 176.300 0.008 0.000 1.275 237 M CA -0.719 54.590 55.300 0.014 0.000 0.811 237 M CB 2.385 34.976 32.600 -0.015 0.000 1.741 237 M HN 0.419 nan 8.290 nan 0.000 0.458 238 T N -2.409 112.134 114.554 -0.019 0.000 2.922 238 T HA 0.360 4.708 4.350 -0.003 0.000 0.285 238 T C 0.696 175.329 174.700 -0.112 0.000 1.005 238 T CA -0.289 61.785 62.100 -0.043 0.000 1.061 238 T CB 1.190 70.041 68.868 -0.028 0.000 1.007 238 T HN 0.695 nan 8.240 nan 0.000 0.502 239 T N 1.481 115.903 114.554 -0.220 0.000 2.759 239 T HA -0.118 4.230 4.350 -0.003 0.000 0.269 239 T C 1.704 176.273 174.700 -0.217 0.000 1.042 239 T CA 1.749 63.645 62.100 -0.340 0.000 1.140 239 T CB -0.373 67.973 68.868 -0.870 0.000 0.864 239 T HN 0.746 nan 8.240 nan 0.000 0.455 240 E N 0.729 120.831 120.200 -0.164 0.000 2.038 240 E HA -0.088 4.260 4.350 -0.003 0.000 0.195 240 E C 2.205 178.784 176.600 -0.035 0.000 1.000 240 E CA 0.856 57.212 56.400 -0.072 0.000 0.803 240 E CB -0.353 29.326 29.700 -0.035 0.000 0.750 240 E HN 0.296 nan 8.360 nan 0.000 0.448 241 I N 0.387 120.935 120.570 -0.037 0.000 2.163 241 I HA -0.231 3.937 4.170 -0.003 0.000 0.243 241 I C 2.339 178.443 176.117 -0.023 0.000 1.085 241 I CA 0.981 62.270 61.300 -0.020 0.000 1.347 241 I CB -1.005 36.981 38.000 -0.022 0.000 1.044 241 I HN 0.220 nan 8.210 nan 0.000 0.408 242 L N 1.205 122.399 121.223 -0.048 0.000 2.042 242 L HA -0.207 4.131 4.340 -0.003 0.000 0.210 242 L C 2.782 179.628 176.870 -0.040 0.000 1.076 242 L CA 1.842 56.653 54.840 -0.049 0.000 0.749 242 L CB -0.864 41.150 42.059 -0.076 0.000 0.893 242 L HN 0.170 nan 8.230 nan 0.000 0.432 243 R N -1.083 119.392 120.500 -0.040 0.000 2.096 243 R HA -0.205 4.133 4.340 -0.003 0.000 0.240 243 R C 2.469 178.777 176.300 0.012 0.000 1.139 243 R CA 1.871 57.949 56.100 -0.037 0.000 0.952 243 R CB -0.586 29.718 30.300 0.006 0.000 0.854 243 R HN 0.532 nan 8.270 nan 0.000 0.436 244 S N 0.130 115.870 115.700 0.067 0.000 2.348 244 S HA -0.146 4.322 4.470 -0.003 0.000 0.221 244 S C 2.073 176.727 174.600 0.091 0.000 1.033 244 S CA 1.626 59.899 58.200 0.121 0.000 1.010 244 S CB -0.125 63.122 63.200 0.078 0.000 0.891 244 S HN 0.375 nan 8.310 nan 0.000 0.442 245 M N 0.632 120.253 119.600 0.034 0.000 2.202 245 M HA -0.084 4.394 4.480 -0.003 0.000 0.262 245 M C 2.107 178.412 176.300 0.008 0.000 1.063 245 M CA 1.249 56.561 55.300 0.020 0.000 1.097 245 M CB -0.631 31.968 32.600 -0.001 0.000 1.382 245 M HN 0.343 nan 8.290 nan 0.000 0.413 246 L N -1.414 119.787 121.223 -0.037 0.000 2.093 246 L HA -0.210 4.128 4.340 -0.003 0.000 0.208 246 L C 2.313 179.129 176.870 -0.091 0.000 1.085 246 L CA 1.203 55.984 54.840 -0.099 0.000 0.755 246 L CB -0.575 41.369 42.059 -0.191 0.000 0.904 246 L HN 0.209 nan 8.230 nan 0.000 0.435 247 Y N -0.143 120.173 120.300 0.026 0.000 2.337 247 Y HA -0.069 4.479 4.550 -0.003 0.000 0.293 247 Y C 2.524 178.434 175.900 0.016 0.000 1.123 247 Y CA 0.773 58.888 58.100 0.024 0.000 1.201 247 Y CB -0.204 38.274 38.460 0.030 0.000 1.011 247 Y HN 0.021 nan 8.280 nan 0.000 0.545 248 R N -0.252 120.345 120.500 0.162 0.000 2.307 248 R HA 0.138 4.476 4.340 -0.003 0.000 0.199 248 R C 0.873 177.209 176.300 0.060 0.000 1.000 248 R CA 0.623 56.780 56.100 0.094 0.000 1.023 248 R CB -0.250 30.091 30.300 0.068 0.000 0.908 248 R HN 0.309 nan 8.270 nan 0.000 0.473 249 G N 1.900 110.730 108.800 0.051 0.000 2.422 249 G HA2 -0.268 3.690 3.960 -0.003 0.000 0.290 249 G HA3 -0.268 3.690 3.960 -0.003 0.000 0.290 249 G C -0.207 174.702 174.900 0.015 0.000 1.059 249 G CA 0.382 45.498 45.100 0.026 0.000 1.242 249 G HN 0.287 nan 8.290 nan 0.000 0.520 250 S N -0.433 115.272 115.700 0.009 0.000 2.565 250 S HA 0.431 4.899 4.470 -0.003 0.000 0.276 250 S C 1.556 176.154 174.600 -0.002 0.000 1.326 250 S CA -0.045 58.157 58.200 0.004 0.000 1.045 250 S CB 0.749 63.949 63.200 0.001 0.000 0.918 250 S HN 0.394 nan 8.310 nan 0.000 0.505 251 E N 3.044 123.243 120.200 -0.003 0.000 2.274 251 E HA -0.070 4.278 4.350 -0.003 0.000 0.194 251 E C 2.075 178.670 176.600 -0.009 0.000 0.996 251 E CA 0.642 57.039 56.400 -0.006 0.000 0.840 251 E CB -0.356 29.342 29.700 -0.004 0.000 0.772 251 E HN 0.564 nan 8.360 nan 0.000 0.491 252 V N 1.561 121.469 119.914 -0.009 0.000 2.287 252 V HA -0.294 3.824 4.120 -0.003 0.000 0.248 252 V C 2.387 178.471 176.094 -0.017 0.000 1.053 252 V CA 1.573 63.866 62.300 -0.012 0.000 1.027 252 V CB -0.486 31.331 31.823 -0.011 0.000 0.646 252 V HN 0.276 nan 8.190 nan 0.000 0.447 253 M N 0.169 119.758 119.600 -0.019 0.000 2.267 253 M HA -0.196 4.282 4.480 -0.003 0.000 0.263 253 M C 2.506 178.787 176.300 -0.031 0.000 1.063 253 M CA 2.272 57.557 55.300 -0.025 0.000 1.090 253 M CB -1.430 31.157 32.600 -0.022 0.000 1.392 253 M HN 0.547 nan 8.290 nan 0.000 0.422 254 R N 0.455 120.940 120.500 -0.025 0.000 2.237 254 R HA -0.063 4.275 4.340 -0.003 0.000 0.219 254 R C 1.650 177.932 176.300 -0.030 0.000 1.080 254 R CA 1.192 57.276 56.100 -0.027 0.000 0.995 254 R CB -0.955 29.334 30.300 -0.019 0.000 0.875 254 R HN 0.493 nan 8.270 nan 0.000 0.462 255 E N -0.416 119.768 120.200 -0.027 0.000 2.476 255 E HA 0.136 4.484 4.350 -0.003 0.000 0.199 255 E C -0.286 176.297 176.600 -0.029 0.000 1.021 255 E CA 0.060 56.445 56.400 -0.024 0.000 0.907 255 E CB 0.748 30.438 29.700 -0.016 0.000 0.974 255 E HN 0.330 nan 8.360 nan 0.000 0.489 256 V N 1.499 121.390 119.914 -0.038 0.000 2.555 256 V HA 0.164 4.282 4.120 -0.003 0.000 0.286 256 V C 1.028 177.074 176.094 -0.081 0.000 1.044 256 V CA 0.553 62.827 62.300 -0.043 0.000 1.026 256 V CB 1.345 33.140 31.823 -0.045 0.000 0.981 256 V HN 0.149 nan 8.190 nan 0.000 0.480 257 A N 3.931 126.712 122.820 -0.065 0.000 2.127 257 A HA 0.342 4.660 4.320 -0.003 0.000 0.204 257 A C -0.002 177.346 177.584 -0.394 0.000 1.243 257 A CA -0.017 51.913 52.037 -0.179 0.000 0.887 257 A CB 0.318 19.295 19.000 -0.038 0.000 0.933 257 A HN 0.718 nan 8.150 nan 0.000 0.479 258 W N -1.240 119.979 121.300 -0.135 0.000 2.998 258 W HA 0.584 5.242 4.660 -0.004 0.000 0.335 258 W C -1.119 175.313 176.519 -0.145 0.000 1.110 258 W CA -0.530 56.723 57.345 -0.153 0.000 1.230 258 W CB 2.003 31.392 29.460 -0.118 0.000 1.405 258 W HN -0.112 nan 8.180 nan 0.000 0.493 259 V N 4.867 124.830 119.914 0.082 0.000 2.540 259 V HA 0.482 4.600 4.120 -0.003 0.000 0.302 259 V C -0.321 175.711 176.094 -0.103 0.000 1.035 259 V CA -0.948 61.320 62.300 -0.053 0.000 0.873 259 V CB 1.630 33.409 31.823 -0.074 0.000 0.992 259 V HN 0.378 nan 8.190 nan 0.000 0.428 260 I N 4.886 125.304 120.570 -0.253 0.000 2.355 260 I HA 0.410 4.578 4.170 -0.003 0.000 0.288 260 I C -1.033 174.799 176.117 -0.476 0.000 0.999 260 I CA -0.204 60.928 61.300 -0.280 0.000 1.163 260 I CB 1.240 39.091 38.000 -0.248 0.000 1.316 260 I HN 0.441 nan 8.210 nan 0.000 0.454 261 F N 4.292 124.169 119.950 -0.121 0.000 2.335 261 F HA 0.228 4.754 4.527 -0.003 0.000 0.365 261 F C 0.552 176.373 175.800 0.035 0.000 1.122 261 F CA -0.524 57.503 58.000 0.045 0.000 1.151 261 F CB 0.370 39.554 39.000 0.306 0.000 1.282 261 F HN 0.387 nan 8.300 nan 0.000 0.513 262 D N 3.980 124.418 120.400 0.064 0.000 2.308 262 D HA 0.104 4.742 4.640 -0.003 0.000 0.251 262 D C 0.132 176.546 176.300 0.190 0.000 1.127 262 D CA 0.421 54.473 54.000 0.086 0.000 0.876 262 D CB 0.564 41.386 40.800 0.037 0.000 1.176 262 D HN 0.470 nan 8.370 nan 0.000 0.446 263 E N 2.208 122.454 120.200 0.077 0.000 2.287 263 E HA -0.132 4.216 4.350 -0.003 0.000 0.229 263 E C 1.095 177.448 176.600 -0.412 0.000 1.194 263 E CA 0.184 56.456 56.400 -0.214 0.000 0.704 263 E CB -1.808 27.786 29.700 -0.176 0.000 1.216 263 E HN 0.301 nan 8.360 nan 0.000 0.381 264 V N 0.784 120.578 119.914 -0.201 0.000 2.594 264 V HA -0.292 3.826 4.120 -0.003 0.000 0.253 264 V C 2.494 178.281 176.094 -0.512 0.000 1.069 264 V CA 2.299 64.427 62.300 -0.286 0.000 1.082 264 V CB -0.839 30.870 31.823 -0.189 0.000 0.680 264 V HN 0.653 nan 8.190 nan 0.000 0.469 265 H N -1.792 117.044 119.070 -0.389 0.000 2.518 265 H HA -0.210 4.344 4.556 -0.003 0.000 0.292 265 H C 1.887 176.997 175.328 -0.363 0.000 1.068 265 H CA 1.505 57.333 56.048 -0.366 0.000 1.275 265 H CB -0.680 28.875 29.762 -0.346 0.000 1.375 265 H HN 0.451 nan 8.280 nan 0.000 0.563 266 Y N 0.915 120.714 120.300 -0.835 0.000 2.680 266 Y HA -0.047 4.501 4.550 -0.003 0.000 0.303 266 Y C 2.644 178.110 175.900 -0.723 0.000 1.166 266 Y CA 0.422 58.075 58.100 -0.745 0.000 1.344 266 Y CB -0.392 37.498 38.460 -0.949 0.000 1.002 266 Y HN 0.248 nan 8.280 nan 0.000 0.537 267 M N 0.351 119.652 119.600 -0.498 0.000 2.557 267 M HA -0.139 4.339 4.480 -0.003 0.000 0.259 267 M C 1.881 178.173 176.300 -0.013 0.000 1.086 267 M CA 1.136 56.300 55.300 -0.227 0.000 1.096 267 M CB 0.010 32.546 32.600 -0.106 0.000 1.424 267 M HN 0.265 nan 8.290 nan 0.000 0.488 268 R N -0.954 119.540 120.500 -0.011 0.000 2.276 268 R HA 0.085 4.423 4.340 -0.003 0.000 0.196 268 R C 0.426 176.770 176.300 0.074 0.000 0.961 268 R CA 0.028 56.165 56.100 0.063 0.000 1.024 268 R CB -0.578 29.760 30.300 0.062 0.000 0.940 268 R HN 0.234 nan 8.270 nan 0.000 0.480 269 D N 1.898 122.336 120.400 0.062 0.000 2.531 269 D HA -0.057 4.581 4.640 -0.003 0.000 0.239 269 D C 0.926 177.280 176.300 0.090 0.000 1.144 269 D CA 0.761 54.806 54.000 0.074 0.000 0.869 269 D CB 1.262 42.097 40.800 0.058 0.000 1.160 269 D HN 0.368 nan 8.370 nan 0.000 0.484 270 K N 3.880 124.321 120.400 0.068 0.000 2.152 270 K HA -0.209 4.109 4.320 -0.003 0.000 0.206 270 K C 1.884 178.528 176.600 0.074 0.000 1.048 270 K CA 1.722 58.042 56.287 0.055 0.000 0.933 270 K CB -0.256 32.251 32.500 0.011 0.000 0.721 270 K HN 0.549 nan 8.250 nan 0.000 0.447 271 E N -1.196 119.055 120.200 0.084 0.000 2.079 271 E HA 0.191 4.539 4.350 -0.003 0.000 0.191 271 E C 2.034 178.748 176.600 0.191 0.000 0.961 271 E CA 0.668 57.136 56.400 0.114 0.000 0.823 271 E CB 0.292 30.024 29.700 0.054 0.000 0.789 271 E HN 0.447 nan 8.360 nan 0.000 0.459 272 R N -0.634 119.962 120.500 0.161 0.000 2.397 272 R HA 0.166 4.504 4.340 -0.003 0.000 0.241 272 R C 1.662 178.148 176.300 0.309 0.000 0.914 272 R CA 0.482 56.704 56.100 0.203 0.000 1.071 272 R CB 0.313 30.730 30.300 0.196 0.000 1.116 272 R HN 0.228 nan 8.270 nan 0.000 0.524 273 G N -0.003 108.940 108.800 0.240 0.000 2.443 273 G HA2 -0.214 3.745 3.960 -0.003 0.000 0.219 273 G HA3 -0.214 3.745 3.960 -0.003 0.000 0.219 273 G C 1.187 176.267 174.900 0.300 0.000 1.131 273 G CA 0.681 45.934 45.100 0.255 0.000 0.775 273 G HN 0.247 nan 8.290 nan 0.000 0.547 274 V N 0.801 120.805 119.914 0.149 0.000 2.568 274 V HA -0.170 3.948 4.120 -0.003 0.000 0.253 274 V C 2.862 179.019 176.094 0.104 0.000 1.072 274 V CA 1.933 64.237 62.300 0.006 0.000 1.084 274 V CB -0.213 31.346 31.823 -0.440 0.000 0.676 274 V HN 0.207 nan 8.190 nan 0.000 0.469 275 V N -0.802 119.211 119.914 0.165 0.000 2.407 275 V HA -0.243 3.875 4.120 -0.003 0.000 0.248 275 V C 2.291 178.464 176.094 0.132 0.000 1.055 275 V CA 2.429 64.791 62.300 0.104 0.000 1.049 275 V CB -0.898 30.934 31.823 0.016 0.000 0.662 275 V HN 0.672 nan 8.190 nan 0.000 0.455 276 W N 0.434 121.796 121.300 0.104 0.000 2.355 276 W HA -0.164 4.494 4.660 -0.003 0.000 0.309 276 W C 2.572 179.147 176.519 0.094 0.000 1.206 276 W CA 1.903 59.305 57.345 0.095 0.000 1.284 276 W CB -0.319 29.184 29.460 0.071 0.000 1.145 276 W HN 0.360 nan 8.180 nan 0.000 0.502 277 E N 0.530 120.970 120.200 0.400 0.000 2.051 277 E HA -0.269 4.079 4.350 -0.003 0.000 0.192 277 E C 2.036 178.850 176.600 0.357 0.000 0.991 277 E CA 1.720 58.363 56.400 0.405 0.000 0.799 277 E CB -0.293 29.654 29.700 0.413 0.000 0.748 277 E HN 0.200 nan 8.360 nan 0.000 0.449 278 E N -0.714 119.663 120.200 0.296 0.000 2.085 278 E HA -0.190 4.158 4.350 -0.003 0.000 0.194 278 E C 1.871 178.558 176.600 0.145 0.000 0.994 278 E CA 1.783 58.327 56.400 0.240 0.000 0.801 278 E CB 0.047 29.853 29.700 0.176 0.000 0.743 278 E HN 0.220 nan 8.360 nan 0.000 0.453 279 T N 1.108 115.730 114.554 0.113 0.000 2.737 279 T HA -0.111 4.237 4.350 -0.003 0.000 0.265 279 T C 1.900 176.680 174.700 0.133 0.000 1.038 279 T CA 1.286 63.438 62.100 0.086 0.000 1.144 279 T CB -0.188 68.744 68.868 0.107 0.000 0.866 279 T HN 0.189 nan 8.240 nan 0.000 0.434 280 I N 0.690 121.328 120.570 0.114 0.000 2.264 280 I HA -0.147 4.021 4.170 -0.003 0.000 0.248 280 I C 2.164 178.348 176.117 0.112 0.000 1.111 280 I CA 1.332 62.655 61.300 0.038 0.000 1.382 280 I CB -0.432 37.493 38.000 -0.125 0.000 1.060 280 I HN 0.243 nan 8.210 nan 0.000 0.418 281 I N 0.371 121.011 120.570 0.116 0.000 2.394 281 I HA -0.257 3.911 4.170 -0.003 0.000 0.251 281 I C 2.209 178.431 176.117 0.175 0.000 1.136 281 I CA 1.259 62.617 61.300 0.097 0.000 1.425 281 I CB -0.171 37.919 38.000 0.150 0.000 1.079 281 I HN 0.207 nan 8.210 nan 0.000 0.425 282 L N 0.269 121.572 121.223 0.133 0.000 2.418 282 L HA 0.046 4.384 4.340 -0.003 0.000 0.218 282 L C 0.971 177.900 176.870 0.099 0.000 1.125 282 L CA 0.031 54.914 54.840 0.071 0.000 0.835 282 L CB -0.230 41.764 42.059 -0.108 0.000 0.953 282 L HN 0.147 nan 8.230 nan 0.000 0.454 283 L N 1.100 122.416 121.223 0.155 0.000 2.485 283 L HA 0.078 4.416 4.340 -0.003 0.000 0.275 283 L C -1.882 175.073 176.870 0.142 0.000 1.207 283 L CA -1.631 53.288 54.840 0.131 0.000 0.855 283 L CB -0.080 42.071 42.059 0.155 0.000 1.114 283 L HN -0.173 nan 8.230 nan 0.000 0.485 284 P HA 0.030 nan 4.420 nan 0.000 0.269 284 P C -0.309 177.001 177.300 0.018 0.000 1.215 284 P CA -0.246 62.879 63.100 0.042 0.000 0.780 284 P CB 0.571 32.263 31.700 -0.014 0.000 0.898 285 D N 0.882 121.319 120.400 0.063 0.000 2.269 285 D HA -0.119 4.520 4.640 -0.003 0.000 0.208 285 D C 1.537 177.791 176.300 -0.077 0.000 0.963 285 D CA 1.232 55.270 54.000 0.063 0.000 0.864 285 D CB -0.132 40.736 40.800 0.113 0.000 0.936 285 D HN 0.546 nan 8.370 nan 0.000 0.505 286 K N -0.000 120.336 120.400 -0.107 0.000 2.418 286 K HA 0.071 4.389 4.320 -0.003 0.000 0.195 286 K C 0.538 176.954 176.600 -0.307 0.000 1.035 286 K CA 0.154 56.342 56.287 -0.165 0.000 1.003 286 K CB 0.234 32.667 32.500 -0.113 0.000 0.793 286 K HN -0.154 nan 8.250 nan 0.000 0.494 287 V N 2.698 122.395 119.914 -0.362 0.000 2.811 287 V HA 0.137 4.255 4.120 -0.003 0.000 0.302 287 V C 0.358 175.839 176.094 -1.021 0.000 1.063 287 V CA -0.585 61.383 62.300 -0.553 0.000 1.088 287 V CB 0.931 32.532 31.823 -0.370 0.000 0.982 287 V HN 0.298 nan 8.190 nan 0.000 0.485 288 R N 2.199 121.977 120.500 -1.203 0.000 2.664 288 R HA 0.561 4.899 4.340 -0.003 0.000 0.286 288 R C -1.416 174.227 176.300 -1.094 0.000 0.967 288 R CA -0.576 54.639 56.100 -1.475 0.000 0.933 288 R CB 1.627 30.645 30.300 -2.136 0.000 1.146 288 R HN 0.645 nan 8.270 nan 0.000 0.468 289 Y N -0.883 119.280 120.300 -0.228 0.000 2.485 289 Y HA 0.520 5.068 4.550 -0.003 0.000 0.345 289 Y C 0.125 175.970 175.900 -0.092 0.000 0.998 289 Y CA -1.181 56.794 58.100 -0.207 0.000 1.059 289 Y CB 1.768 39.920 38.460 -0.513 0.000 1.234 289 Y HN 0.072 nan 8.280 nan 0.000 0.461 290 V N 4.067 123.966 119.914 -0.024 0.000 2.340 290 V HA 0.313 4.431 4.120 -0.003 0.000 0.277 290 V C -1.107 174.948 176.094 -0.066 0.000 1.017 290 V CA -0.926 61.387 62.300 0.021 0.000 0.820 290 V CB -0.220 31.654 31.823 0.086 0.000 1.028 290 V HN 0.526 nan 8.190 nan 0.000 0.436 291 F N 4.887 125.001 119.950 0.274 0.000 2.424 291 F HA 0.535 5.061 4.527 -0.002 0.000 0.356 291 F C 0.282 176.137 175.800 0.093 0.000 1.110 291 F CA -0.585 57.525 58.000 0.183 0.000 1.161 291 F CB 0.756 39.789 39.000 0.055 0.000 1.115 291 F HN 0.199 nan 8.300 nan 0.000 0.507 292 L N 3.571 124.931 121.223 0.229 0.000 2.298 292 L HA 0.529 4.867 4.340 -0.003 0.000 0.284 292 L C -0.014 176.918 176.870 0.104 0.000 1.013 292 L CA -0.352 54.578 54.840 0.149 0.000 0.824 292 L CB 1.461 43.601 42.059 0.136 0.000 1.221 292 L HN 0.667 nan 8.230 nan 0.000 0.418 293 S N 2.084 117.818 115.700 0.057 0.000 2.599 293 S HA 0.839 5.307 4.470 -0.003 0.000 0.287 293 S C -0.335 174.229 174.600 -0.059 0.000 1.105 293 S CA -0.355 57.877 58.200 0.053 0.000 0.899 293 S CB 1.903 65.069 63.200 -0.057 0.000 1.100 293 S HN 0.647 nan 8.310 nan 0.000 0.482 294 A N 1.823 124.527 122.820 -0.193 0.000 2.346 294 A HA 0.550 4.868 4.320 -0.003 0.000 0.252 294 A C 0.655 178.022 177.584 -0.362 0.000 1.089 294 A CA 0.118 51.919 52.037 -0.393 0.000 0.797 294 A CB -0.579 18.020 19.000 -0.669 0.000 1.047 294 A HN 1.294 nan 8.150 nan 0.000 0.494 295 T N -0.069 114.210 114.554 -0.459 0.000 2.822 295 T HA 0.381 4.729 4.350 -0.003 0.000 0.288 295 T C 0.027 174.647 174.700 -0.134 0.000 0.991 295 T CA 0.571 62.431 62.100 -0.400 0.000 1.176 295 T CB -0.995 67.518 68.868 -0.592 0.000 0.951 295 T HN 0.986 nan 8.240 nan 0.000 0.526 296 I N 0.491 121.105 120.570 0.073 0.000 2.686 296 I HA 0.491 4.659 4.170 -0.003 0.000 0.295 296 I C -2.535 173.661 176.117 0.131 0.000 1.114 296 I CA -3.412 57.927 61.300 0.065 0.000 1.038 296 I CB 2.297 40.292 38.000 -0.008 0.000 1.238 296 I HN 0.206 nan 8.210 nan 0.000 0.420 297 P HA -0.142 nan 4.420 nan 0.000 0.213 297 P C 0.424 177.709 177.300 -0.025 0.000 1.170 297 P CA 1.393 64.478 63.100 -0.025 0.000 0.898 297 P CB -0.129 31.561 31.700 -0.018 0.000 0.787 298 N N -0.360 118.358 118.700 0.029 0.000 2.623 298 N HA 0.155 4.893 4.740 -0.003 0.000 0.263 298 N C 0.931 176.511 175.510 0.116 0.000 1.218 298 N CA 0.109 53.201 53.050 0.070 0.000 0.949 298 N CB -0.744 37.808 38.487 0.108 0.000 1.270 298 N HN 0.009 nan 8.380 nan 0.000 0.507 299 A N 0.599 123.465 122.820 0.076 0.000 1.940 299 A HA -0.164 4.154 4.320 -0.003 0.000 0.219 299 A C 2.106 179.766 177.584 0.127 0.000 1.176 299 A CA 1.308 53.401 52.037 0.093 0.000 0.631 299 A CB -0.337 18.731 19.000 0.113 0.000 0.814 299 A HN 0.405 nan 8.150 nan 0.000 0.446 300 M N 0.108 119.764 119.600 0.093 0.000 2.229 300 M HA -0.071 4.407 4.480 -0.003 0.000 0.264 300 M C 1.666 178.063 176.300 0.162 0.000 1.063 300 M CA 1.595 56.950 55.300 0.091 0.000 1.114 300 M CB -0.620 32.004 32.600 0.040 0.000 1.387 300 M HN 0.540 nan 8.290 nan 0.000 0.420 301 E N -1.147 119.188 120.200 0.225 0.000 2.058 301 E HA -0.237 4.111 4.350 -0.003 0.000 0.194 301 E C 1.872 178.738 176.600 0.442 0.000 0.997 301 E CA 1.617 58.245 56.400 0.380 0.000 0.801 301 E CB -0.408 29.529 29.700 0.395 0.000 0.746 301 E HN 0.566 nan 8.360 nan 0.000 0.450 302 F N 1.216 121.262 119.950 0.159 0.000 2.102 302 F HA -0.217 4.307 4.527 -0.004 0.000 0.298 302 F C 2.281 178.014 175.800 -0.113 0.000 1.105 302 F CA 1.499 59.438 58.000 -0.101 0.000 1.239 302 F CB -0.230 38.599 39.000 -0.285 0.000 0.991 302 F HN -0.040 nan 8.300 nan 0.000 0.474 303 A N -0.025 122.889 122.820 0.155 0.000 1.908 303 A HA -0.240 4.078 4.320 -0.003 0.000 0.218 303 A C 2.074 179.612 177.584 -0.076 0.000 1.181 303 A CA 2.035 54.101 52.037 0.048 0.000 0.627 303 A CB -0.922 18.119 19.000 0.068 0.000 0.818 303 A HN 0.561 nan 8.150 nan 0.000 0.445 304 E N -1.805 118.379 120.200 -0.027 0.000 2.110 304 E HA -0.225 4.123 4.350 -0.003 0.000 0.193 304 E C 1.730 178.131 176.600 -0.331 0.000 0.988 304 E CA 1.218 57.599 56.400 -0.032 0.000 0.804 304 E CB -0.242 29.603 29.700 0.241 0.000 0.745 304 E HN 0.884 nan 8.360 nan 0.000 0.458 305 W N 1.654 122.373 121.300 -0.969 0.000 2.355 305 W HA -0.173 4.485 4.660 -0.003 0.000 0.309 305 W C 1.700 177.773 176.519 -0.743 0.000 1.206 305 W CA 0.979 57.484 57.345 -1.400 0.000 1.284 305 W CB -0.253 28.467 29.460 -1.233 0.000 1.145 305 W HN -0.068 nan 8.180 nan 0.000 0.502 306 I N 0.582 120.637 120.570 -0.858 0.000 2.208 306 I HA -0.323 3.845 4.170 -0.003 0.000 0.245 306 I C 2.745 178.642 176.117 -0.366 0.000 1.097 306 I CA 1.762 62.616 61.300 -0.744 0.000 1.363 306 I CB -1.996 35.753 38.000 -0.418 0.000 1.051 306 I HN 0.270 nan 8.210 nan 0.000 0.413 307 C N 1.234 120.379 119.300 -0.259 0.000 2.429 307 C HA -0.204 4.254 4.460 -0.003 0.000 0.277 307 C C 3.013 177.911 174.990 -0.154 0.000 1.262 307 C CA 1.391 60.318 59.018 -0.152 0.000 1.733 307 C CB -0.872 26.789 27.740 -0.133 0.000 2.010 307 C HN 0.471 nan 8.230 nan 0.000 0.483 308 K N 0.795 121.068 120.400 -0.212 0.000 1.991 308 K HA -0.092 4.226 4.320 -0.003 0.000 0.207 308 K C 1.998 178.471 176.600 -0.213 0.000 1.045 308 K CA 2.026 58.221 56.287 -0.154 0.000 0.937 308 K CB -0.432 32.024 32.500 -0.072 0.000 0.720 308 K HN 0.748 nan 8.250 nan 0.000 0.438 309 I N -2.039 118.296 120.570 -0.392 0.000 2.614 309 I HA -0.134 4.035 4.170 -0.003 0.000 0.258 309 I C 1.151 177.041 176.117 -0.379 0.000 1.189 309 I CA 1.280 62.321 61.300 -0.433 0.000 1.462 309 I CB -0.266 37.352 38.000 -0.636 0.000 1.092 309 I HN 0.165 nan 8.210 nan 0.000 0.442 310 H N 1.160 120.146 119.070 -0.140 0.000 2.755 310 H HA 0.303 4.857 4.556 -0.003 0.000 0.273 310 H C 0.495 175.816 175.328 -0.011 0.000 1.055 310 H CA 0.139 56.170 56.048 -0.029 0.000 1.191 310 H CB 0.575 30.355 29.762 0.030 0.000 1.536 310 H HN 0.352 nan 8.280 nan 0.000 0.529 311 S N 1.776 117.502 115.700 0.043 0.000 3.628 311 S HA -0.217 4.251 4.470 -0.003 0.000 0.373 311 S C 0.302 174.910 174.600 0.013 0.000 0.968 311 S CA 0.878 59.093 58.200 0.025 0.000 1.215 311 S CB -1.556 61.675 63.200 0.052 0.000 0.912 311 S HN 0.812 nan 8.310 nan 0.000 0.495 312 Q N -2.417 117.367 119.800 -0.028 0.000 2.522 312 Q HA 0.697 5.035 4.340 -0.003 0.000 0.285 312 Q C -3.642 172.257 176.000 -0.170 0.000 0.982 312 Q CA -2.583 53.167 55.803 -0.089 0.000 0.805 312 Q CB 1.210 29.928 28.738 -0.034 0.000 1.457 312 Q HN 0.091 nan 8.270 nan 0.000 0.394 313 P HA 0.118 nan 4.420 nan 0.000 0.271 313 P C -1.020 176.216 177.300 -0.106 0.000 1.220 313 P CA -0.158 62.751 63.100 -0.319 0.000 0.768 313 P CB 0.605 32.062 31.700 -0.404 0.000 0.848 314 C N 5.987 125.219 119.300 -0.113 0.000 2.346 314 C HA 0.368 4.826 4.460 -0.003 0.000 0.326 314 C C 0.071 175.051 174.990 -0.017 0.000 1.224 314 C CA -0.495 58.556 59.018 0.054 0.000 1.408 314 C CB -0.675 27.131 27.740 0.109 0.000 2.089 314 C HN 0.618 nan 8.230 nan 0.000 0.456 315 H N 4.348 123.467 119.070 0.081 0.000 2.546 315 H HA 0.555 5.109 4.556 -0.003 0.000 0.365 315 H C 0.025 175.383 175.328 0.050 0.000 1.220 315 H CA 0.355 56.418 56.048 0.024 0.000 1.386 315 H CB 1.398 31.227 29.762 0.113 0.000 1.510 315 H HN 0.798 nan 8.280 nan 0.000 0.591 316 I N -1.559 119.055 120.570 0.074 0.000 2.619 316 I HA 0.454 4.622 4.170 -0.003 0.000 0.292 316 I C -1.209 174.977 176.117 0.116 0.000 1.100 316 I CA -1.001 60.364 61.300 0.109 0.000 1.043 316 I CB 2.210 40.255 38.000 0.075 0.000 1.239 316 I HN 0.087 nan 8.210 nan 0.000 0.420 317 V N 6.010 126.049 119.914 0.208 0.000 2.409 317 V HA 0.385 4.503 4.120 -0.003 0.000 0.290 317 V C -1.149 175.088 176.094 0.238 0.000 1.017 317 V CA -0.458 62.004 62.300 0.270 0.000 0.841 317 V CB 1.377 33.402 31.823 0.336 0.000 1.003 317 V HN 0.723 nan 8.190 nan 0.000 0.426 318 Y N 3.252 123.609 120.300 0.095 0.000 2.409 318 Y HA 0.751 5.300 4.550 -0.003 0.000 0.339 318 Y C 0.038 175.945 175.900 0.012 0.000 1.033 318 Y CA -0.208 57.906 58.100 0.024 0.000 1.094 318 Y CB 2.276 40.746 38.460 0.018 0.000 1.210 318 Y HN 0.588 nan 8.280 nan 0.000 0.456 319 T N 5.238 119.535 114.554 -0.429 0.000 3.705 319 T HA 0.187 4.535 4.350 -0.003 0.000 0.342 319 T C -0.636 173.901 174.700 -0.273 0.000 1.043 319 T CA -0.766 61.225 62.100 -0.181 0.000 1.071 319 T CB 0.218 68.965 68.868 -0.200 0.000 1.124 319 T HN 0.792 nan 8.240 nan 0.000 0.467 320 N N 2.956 121.664 118.700 0.012 0.000 2.567 320 N HA 0.064 4.802 4.740 -0.003 0.000 0.195 320 N C 0.398 176.010 175.510 0.171 0.000 1.242 320 N CA -0.037 53.094 53.050 0.135 0.000 0.884 320 N CB -0.321 38.310 38.487 0.240 0.000 1.007 320 N HN 0.633 nan 8.380 nan 0.000 0.450 321 F N 2.002 121.907 119.950 -0.074 0.000 2.650 321 F HA -0.041 4.484 4.527 -0.003 0.000 0.355 321 F C 0.811 176.498 175.800 -0.188 0.000 1.163 321 F CA 0.151 58.020 58.000 -0.217 0.000 1.374 321 F CB 0.475 39.206 39.000 -0.447 0.000 1.065 321 F HN -0.085 nan 8.300 nan 0.000 0.616 322 R N 6.453 126.173 120.500 -1.300 0.000 2.605 322 R HA 0.283 4.621 4.340 -0.003 0.000 0.291 322 R C -2.386 173.162 176.300 -1.252 0.000 1.226 322 R CA -1.351 54.112 56.100 -1.061 0.000 0.981 322 R CB 1.466 31.369 30.300 -0.661 0.000 1.215 322 R HN 0.375 nan 8.270 nan 0.000 0.428 323 P HA -0.036 nan 4.420 nan 0.000 0.217 323 P C -0.230 176.882 177.300 -0.314 0.000 1.150 323 P CA 1.092 63.823 63.100 -0.616 0.000 0.832 323 P CB 0.416 31.953 31.700 -0.272 0.000 0.787 324 T N 0.851 115.233 114.554 -0.286 0.000 2.815 324 T HA 0.383 4.731 4.350 -0.003 0.000 0.289 324 T C -2.677 171.903 174.700 -0.200 0.000 1.000 324 T CA -1.618 60.367 62.100 -0.190 0.000 0.958 324 T CB 1.231 70.009 68.868 -0.150 0.000 0.944 324 T HN -0.202 nan 8.240 nan 0.000 0.442 325 P HA 0.128 nan 4.420 nan 0.000 0.264 325 P C -0.635 176.580 177.300 -0.142 0.000 1.183 325 P CA -0.059 62.960 63.100 -0.135 0.000 0.763 325 P CB 0.460 32.107 31.700 -0.089 0.000 0.807 326 L N 3.423 124.555 121.223 -0.151 0.000 2.334 326 L HA 0.379 4.717 4.340 -0.003 0.000 0.275 326 L C 0.613 177.324 176.870 -0.264 0.000 1.036 326 L CA -0.405 54.295 54.840 -0.233 0.000 0.807 326 L CB 1.137 43.019 42.059 -0.295 0.000 1.231 326 L HN 0.288 nan 8.230 nan 0.000 0.438 327 Q N 2.366 122.016 119.800 -0.249 0.000 2.309 327 Q HA 0.344 4.682 4.340 -0.003 0.000 0.270 327 Q C -1.403 174.606 176.000 0.015 0.000 1.023 327 Q CA -0.654 55.113 55.803 -0.061 0.000 0.758 327 Q CB 1.772 30.654 28.738 0.239 0.000 1.247 327 Q HN 0.501 nan 8.270 nan 0.000 0.455 328 H N 3.020 122.224 119.070 0.223 0.000 2.594 328 H HA 0.251 4.805 4.556 -0.003 0.000 0.304 328 H C -0.900 174.555 175.328 0.212 0.000 1.068 328 H CA 0.016 56.239 56.048 0.292 0.000 1.308 328 H CB 0.515 30.421 29.762 0.241 0.000 1.409 328 H HN 0.564 nan 8.280 nan 0.000 0.460 329 Y N 1.712 122.164 120.300 0.252 0.000 2.487 329 Y HA 0.379 4.927 4.550 -0.003 0.000 0.337 329 Y C 0.255 176.310 175.900 0.258 0.000 1.076 329 Y CA -0.895 57.335 58.100 0.218 0.000 1.115 329 Y CB 1.924 40.492 38.460 0.180 0.000 1.235 329 Y HN 0.330 nan 8.280 nan 0.000 0.468 330 L N 2.153 123.613 121.223 0.394 0.000 2.322 330 L HA 0.511 4.849 4.340 -0.003 0.000 0.269 330 L C -1.376 175.775 176.870 0.468 0.000 1.012 330 L CA -0.913 54.142 54.840 0.358 0.000 0.815 330 L CB 2.026 44.213 42.059 0.213 0.000 1.295 330 L HN 0.595 nan 8.230 nan 0.000 0.438 331 F N 3.415 123.504 119.950 0.231 0.000 2.902 331 F HA 0.500 5.025 4.527 -0.003 0.000 0.368 331 F C -2.563 173.318 175.800 0.136 0.000 1.202 331 F CA -1.917 56.213 58.000 0.216 0.000 1.109 331 F CB 1.327 40.431 39.000 0.173 0.000 1.418 331 F HN 0.146 nan 8.300 nan 0.000 0.527 332 P HA 0.137 nan 4.420 nan 0.000 0.267 332 P C 0.406 177.302 177.300 -0.673 0.000 1.200 332 P CA 0.580 63.447 63.100 -0.388 0.000 0.772 332 P CB 1.041 32.559 31.700 -0.304 0.000 0.855 333 A N 3.404 125.989 122.820 -0.392 0.000 1.873 333 A HA -0.299 4.019 4.320 -0.003 0.000 0.219 333 A C 1.619 178.946 177.584 -0.427 0.000 1.269 333 A CA 2.342 54.137 52.037 -0.403 0.000 0.671 333 A CB -1.808 16.864 19.000 -0.547 0.000 0.842 333 A HN 0.764 nan 8.150 nan 0.000 0.460 334 H N -1.627 117.368 119.070 -0.125 0.000 2.481 334 H HA 0.349 4.903 4.556 -0.003 0.000 0.291 334 H C 1.569 176.860 175.328 -0.062 0.000 1.009 334 H CA -0.137 55.888 56.048 -0.039 0.000 1.282 334 H CB -0.232 29.527 29.762 -0.005 0.000 1.457 334 H HN 0.570 nan 8.280 nan 0.000 0.525 335 G N 0.793 109.594 108.800 0.003 0.000 2.353 335 G HA2 0.291 4.249 3.960 -0.003 0.000 0.239 335 G HA3 0.291 4.249 3.960 -0.003 0.000 0.239 335 G C -0.376 174.495 174.900 -0.048 0.000 1.295 335 G CA 0.267 45.365 45.100 -0.004 0.000 0.884 335 G HN 0.548 nan 8.290 nan 0.000 0.537 336 D N 0.259 120.695 120.400 0.060 0.000 2.347 336 D HA 0.651 5.289 4.640 -0.003 0.000 0.235 336 D C 0.471 176.836 176.300 0.108 0.000 1.149 336 D CA 0.201 54.285 54.000 0.140 0.000 0.850 336 D CB 0.906 41.804 40.800 0.164 0.000 1.061 336 D HN 1.141 nan 8.370 nan 0.000 0.487 337 G N 0.246 109.127 108.800 0.135 0.000 2.473 337 G HA2 0.450 4.408 3.960 -0.003 0.000 0.298 337 G HA3 0.450 4.408 3.960 -0.003 0.000 0.298 337 G C -1.405 173.488 174.900 -0.011 0.000 1.575 337 G CA -0.639 44.442 45.100 -0.032 0.000 0.846 337 G HN 0.525 nan 8.290 nan 0.000 0.585 338 I N 1.224 121.690 120.570 -0.174 0.000 2.389 338 I HA 0.382 4.550 4.170 -0.003 0.000 0.288 338 I C -1.098 174.938 176.117 -0.135 0.000 0.999 338 I CA -1.190 60.149 61.300 0.066 0.000 1.129 338 I CB 1.177 39.306 38.000 0.215 0.000 1.288 338 I HN 0.475 nan 8.210 nan 0.000 0.444 339 Y N 5.584 125.994 120.300 0.185 0.000 2.402 339 Y HA 0.373 4.921 4.550 -0.003 0.000 0.332 339 Y C 0.357 176.213 175.900 -0.074 0.000 0.960 339 Y CA -0.674 57.452 58.100 0.043 0.000 1.228 339 Y CB 1.698 40.151 38.460 -0.013 0.000 1.120 339 Y HN 0.447 nan 8.280 nan 0.000 0.491 340 L N 4.825 125.937 121.223 -0.186 0.000 2.600 340 L HA 0.058 4.396 4.340 -0.003 0.000 0.278 340 L C 0.796 177.522 176.870 -0.241 0.000 1.139 340 L CA 0.246 54.769 54.840 -0.529 0.000 0.933 340 L CB 0.498 42.153 42.059 -0.673 0.000 1.266 340 L HN 0.757 nan 8.230 nan 0.000 0.471 341 V N 6.018 125.827 119.914 -0.174 0.000 2.878 341 V HA 0.122 4.240 4.120 -0.003 0.000 0.250 341 V C 0.459 176.349 176.094 -0.340 0.000 1.075 341 V CA 0.673 62.830 62.300 -0.237 0.000 1.096 341 V CB 0.704 32.469 31.823 -0.097 0.000 0.724 341 V HN 0.501 nan 8.190 nan 0.000 0.467 342 V N 2.436 122.273 119.914 -0.128 0.000 2.623 342 V HA 0.424 4.542 4.120 -0.003 0.000 0.304 342 V C -0.877 175.233 176.094 0.025 0.000 1.054 342 V CA -0.854 61.443 62.300 -0.004 0.000 0.882 342 V CB 1.960 33.886 31.823 0.172 0.000 1.002 342 V HN 0.617 nan 8.190 nan 0.000 0.424 343 D N 2.459 122.862 120.400 0.006 0.000 2.478 343 D HA 0.206 4.844 4.640 -0.003 0.000 0.269 343 D C 0.793 177.111 176.300 0.030 0.000 1.232 343 D CA -0.583 53.414 54.000 -0.005 0.000 1.059 343 D CB 0.803 41.596 40.800 -0.012 0.000 1.104 343 D HN 0.519 nan 8.370 nan 0.000 0.566 344 E N -1.290 118.916 120.200 0.010 0.000 2.338 344 E HA -0.097 4.251 4.350 -0.003 0.000 0.197 344 E C 1.431 178.040 176.600 0.015 0.000 1.007 344 E CA 1.214 57.615 56.400 0.001 0.000 0.849 344 E CB -0.277 29.416 29.700 -0.011 0.000 0.774 344 E HN 0.576 nan 8.360 nan 0.000 0.506 345 K N 0.470 120.886 120.400 0.028 0.000 2.417 345 K HA 0.141 4.459 4.320 -0.003 0.000 0.196 345 K C 0.930 177.562 176.600 0.052 0.000 1.023 345 K CA 0.510 56.818 56.287 0.035 0.000 1.122 345 K CB -0.261 32.258 32.500 0.032 0.000 0.850 345 K HN 0.058 nan 8.250 nan 0.000 0.521 346 S N 0.128 115.872 115.700 0.074 0.000 3.521 346 S HA -0.117 4.351 4.470 -0.003 0.000 0.328 346 S C 0.349 175.006 174.600 0.095 0.000 1.165 346 S CA 1.007 59.270 58.200 0.104 0.000 0.941 346 S CB -2.237 61.017 63.200 0.089 0.000 0.951 346 S HN 0.768 nan 8.310 nan 0.000 0.539 347 T N 2.005 116.606 114.554 0.079 0.000 2.743 347 T HA 0.444 4.792 4.350 -0.003 0.000 0.293 347 T C -0.178 174.580 174.700 0.097 0.000 0.945 347 T CA -0.316 61.835 62.100 0.085 0.000 1.030 347 T CB 0.316 69.219 68.868 0.057 0.000 0.912 347 T HN 0.289 nan 8.240 nan 0.000 0.483 348 F N 5.109 125.049 119.950 -0.017 0.000 2.494 348 F HA 0.192 4.717 4.527 -0.003 0.000 0.369 348 F C 0.898 176.687 175.800 -0.018 0.000 1.098 348 F CA -0.648 57.330 58.000 -0.036 0.000 1.154 348 F CB 0.341 39.286 39.000 -0.091 0.000 1.103 348 F HN 0.267 nan 8.300 nan 0.000 0.549 349 R N 6.070 126.375 120.500 -0.324 0.000 2.429 349 R HA 0.028 4.366 4.340 -0.003 0.000 0.302 349 R C 1.013 177.205 176.300 -0.180 0.000 1.268 349 R CA 0.083 56.079 56.100 -0.174 0.000 1.090 349 R CB 0.052 30.261 30.300 -0.151 0.000 1.102 349 R HN 0.837 nan 8.270 nan 0.000 0.522 350 E N 1.598 121.859 120.200 0.101 0.000 2.077 350 E HA -0.191 4.157 4.350 -0.003 0.000 0.193 350 E C 1.140 177.866 176.600 0.210 0.000 0.989 350 E CA 1.278 57.841 56.400 0.271 0.000 0.800 350 E CB 0.284 30.151 29.700 0.277 0.000 0.746 350 E HN 0.543 nan 8.360 nan 0.000 0.452 351 E N -0.194 120.079 120.200 0.122 0.000 2.021 351 E HA -0.283 4.065 4.350 -0.003 0.000 0.200 351 E C 2.253 178.906 176.600 0.089 0.000 1.015 351 E CA 1.437 57.895 56.400 0.096 0.000 0.824 351 E CB -0.441 29.297 29.700 0.064 0.000 0.762 351 E HN 0.402 nan 8.360 nan 0.000 0.454 352 N N 0.668 119.407 118.700 0.065 0.000 2.348 352 N HA -0.197 4.541 4.740 -0.003 0.000 0.185 352 N C 1.526 177.069 175.510 0.055 0.000 1.019 352 N CA 1.369 54.462 53.050 0.072 0.000 0.880 352 N CB -0.755 37.758 38.487 0.042 0.000 0.965 352 N HN 0.144 nan 8.380 nan 0.000 0.437 353 F N 0.782 120.671 119.950 -0.101 0.000 2.037 353 F HA -0.062 4.463 4.527 -0.003 0.000 0.291 353 F C 2.471 178.226 175.800 -0.076 0.000 1.137 353 F CA 1.936 59.870 58.000 -0.111 0.000 1.178 353 F CB -0.322 38.620 39.000 -0.096 0.000 0.995 353 F HN 0.219 nan 8.300 nan 0.000 0.472 354 Q N 0.864 120.714 119.800 0.083 0.000 2.234 354 Q HA -0.160 4.178 4.340 -0.003 0.000 0.206 354 Q C 2.254 178.136 176.000 -0.196 0.000 0.980 354 Q CA 2.701 58.463 55.803 -0.068 0.000 0.869 354 Q CB -0.603 28.212 28.738 0.128 0.000 0.912 354 Q HN 0.549 nan 8.270 nan 0.000 0.436 355 K N 0.323 120.631 120.400 -0.154 0.000 2.209 355 K HA 0.039 4.357 4.320 -0.003 0.000 0.204 355 K C 1.994 178.317 176.600 -0.462 0.000 1.048 355 K CA 1.482 57.662 56.287 -0.178 0.000 0.940 355 K CB -0.882 31.602 32.500 -0.026 0.000 0.729 355 K HN 0.377 nan 8.250 nan 0.000 0.451 356 A N -0.145 122.248 122.820 -0.712 0.000 1.943 356 A HA 0.362 4.680 4.320 -0.003 0.000 0.213 356 A C 2.764 179.961 177.584 -0.645 0.000 1.181 356 A CA 2.060 53.447 52.037 -1.082 0.000 0.653 356 A CB -0.424 17.954 19.000 -1.036 0.000 0.833 356 A HN 0.859 nan 8.150 nan 0.000 0.451 357 M N -0.596 118.653 119.600 -0.585 0.000 2.460 357 M HA 0.387 4.865 4.480 -0.003 0.000 0.263 357 M C 2.220 178.361 176.300 -0.264 0.000 1.071 357 M CA 2.019 57.065 55.300 -0.423 0.000 1.096 357 M CB -1.858 30.466 32.600 -0.460 0.000 1.408 357 M HN 0.765 nan 8.290 nan 0.000 0.463 358 A N -1.043 121.623 122.820 -0.257 0.000 2.081 358 A HA 0.148 4.466 4.320 -0.003 0.000 0.214 358 A C 2.304 179.797 177.584 -0.152 0.000 1.158 358 A CA 1.276 53.216 52.037 -0.161 0.000 0.724 358 A CB -0.557 18.369 19.000 -0.123 0.000 0.826 358 A HN 0.592 nan 8.150 nan 0.000 0.463 359 S N 0.099 115.666 115.700 -0.221 0.000 2.595 359 S HA 0.060 4.528 4.470 -0.003 0.000 0.235 359 S C 0.604 175.125 174.600 -0.131 0.000 0.974 359 S CA 0.435 58.534 58.200 -0.169 0.000 0.942 359 S CB -0.474 62.589 63.200 -0.229 0.000 0.766 359 S HN 0.526 nan 8.310 nan 0.000 0.536 360 I N 2.966 123.454 120.570 -0.136 0.000 2.318 360 I HA 0.121 4.289 4.170 -0.003 0.000 0.285 360 I C 0.832 176.915 176.117 -0.056 0.000 1.127 360 I CA -0.545 60.699 61.300 -0.093 0.000 1.243 360 I CB -0.212 37.725 38.000 -0.105 0.000 1.498 360 I HN 0.129 nan 8.210 nan 0.000 0.535 392 G N 1.336 110.204 108.800 0.115 0.000 2.448 392 G HA2 -0.191 3.767 3.960 -0.003 0.000 0.219 392 G HA3 -0.191 3.767 3.960 -0.003 0.000 0.219 392 G C 1.243 176.245 174.900 0.170 0.000 1.127 392 G CA 1.545 46.711 45.100 0.110 0.000 0.766 392 G HN 0.560 nan 8.290 nan 0.000 0.552 393 D N 0.675 121.195 120.400 0.200 0.000 2.120 393 D HA -0.053 4.585 4.640 -0.003 0.000 0.202 393 D C 2.506 178.860 176.300 0.091 0.000 0.972 393 D CA 0.445 54.581 54.000 0.226 0.000 0.837 393 D CB -0.123 40.898 40.800 0.368 0.000 0.989 393 D HN 0.268 nan 8.370 nan 0.000 0.469 394 I N 0.687 121.307 120.570 0.082 0.000 2.315 394 I HA -0.281 3.887 4.170 -0.003 0.000 0.251 394 I C 2.298 178.485 176.117 0.118 0.000 1.125 394 I CA 0.945 62.278 61.300 0.054 0.000 1.392 394 I CB -0.536 37.522 38.000 0.096 0.000 1.065 394 I HN 0.066 nan 8.210 nan 0.000 0.424 395 Y N 1.652 121.983 120.300 0.051 0.000 2.089 395 Y HA -0.358 4.190 4.550 -0.003 0.000 0.282 395 Y C 2.760 178.697 175.900 0.062 0.000 1.139 395 Y CA 2.986 61.129 58.100 0.072 0.000 1.123 395 Y CB -0.442 38.055 38.460 0.062 0.000 0.980 395 Y HN 0.069 nan 8.280 nan 0.000 0.493 396 K N 0.944 121.595 120.400 0.417 0.000 2.063 396 K HA -0.172 4.146 4.320 -0.003 0.000 0.208 396 K C 1.846 178.509 176.600 0.105 0.000 1.048 396 K CA 2.146 58.605 56.287 0.288 0.000 0.928 396 K CB -1.597 31.041 32.500 0.230 0.000 0.713 396 K HN 0.650 nan 8.250 nan 0.000 0.442 397 I N 0.586 121.151 120.570 -0.007 0.000 2.264 397 I HA -0.253 3.915 4.170 -0.003 0.000 0.248 397 I C 2.372 178.449 176.117 -0.067 0.000 1.111 397 I CA 1.185 62.417 61.300 -0.114 0.000 1.382 397 I CB -0.375 37.457 38.000 -0.280 0.000 1.060 397 I HN 0.150 nan 8.210 nan 0.000 0.418 398 V N 1.336 121.222 119.914 -0.047 0.000 2.244 398 V HA -0.304 3.814 4.120 -0.003 0.000 0.244 398 V C 3.075 179.190 176.094 0.035 0.000 1.042 398 V CA 2.646 64.917 62.300 -0.049 0.000 1.006 398 V CB -1.152 30.622 31.823 -0.081 0.000 0.641 398 V HN 0.522 nan 8.190 nan 0.000 0.446 399 K N -0.235 120.185 120.400 0.033 0.000 2.160 399 K HA -0.189 4.129 4.320 -0.003 0.000 0.206 399 K C 2.023 178.707 176.600 0.140 0.000 1.047 399 K CA 2.183 58.551 56.287 0.136 0.000 0.930 399 K CB -0.780 31.786 32.500 0.110 0.000 0.720 399 K HN 0.450 nan 8.250 nan 0.000 0.450 400 M N -0.010 119.622 119.600 0.052 0.000 2.319 400 M HA 0.096 4.574 4.480 -0.003 0.000 0.265 400 M C 1.871 178.109 176.300 -0.104 0.000 1.068 400 M CA 1.341 56.627 55.300 -0.024 0.000 1.118 400 M CB -0.335 32.242 32.600 -0.039 0.000 1.395 400 M HN 0.399 nan 8.290 nan 0.000 0.435 401 I N -1.385 119.153 120.570 -0.053 0.000 2.584 401 I HA -0.245 3.923 4.170 -0.003 0.000 0.255 401 I C 2.325 178.477 176.117 0.058 0.000 1.145 401 I CA 0.650 61.904 61.300 -0.076 0.000 1.462 401 I CB -0.534 37.453 38.000 -0.023 0.000 1.102 401 I HN 0.519 nan 8.210 nan 0.000 0.433 402 W N 2.997 124.272 121.300 -0.041 0.000 2.355 402 W HA -0.247 4.411 4.660 -0.003 0.000 0.309 402 W C 2.455 178.973 176.519 -0.002 0.000 1.206 402 W CA 1.452 58.822 57.345 0.043 0.000 1.284 402 W CB 0.035 29.613 29.460 0.197 0.000 1.145 402 W HN 0.032 nan 8.180 nan 0.000 0.502 403 K N 0.974 121.298 120.400 -0.126 0.000 2.025 403 K HA -0.230 4.088 4.320 -0.003 0.000 0.207 403 K C 2.163 178.602 176.600 -0.268 0.000 1.049 403 K CA 1.558 57.686 56.287 -0.265 0.000 0.933 403 K CB -0.390 32.036 32.500 -0.122 0.000 0.714 403 K HN -0.045 nan 8.250 nan 0.000 0.438 404 K N 0.358 120.603 120.400 -0.259 0.000 2.439 404 K HA -0.068 4.250 4.320 -0.003 0.000 0.197 404 K C -0.260 176.219 176.600 -0.201 0.000 1.041 404 K CA 0.538 56.622 56.287 -0.338 0.000 0.970 404 K CB 0.288 32.367 32.500 -0.702 0.000 0.773 404 K HN -0.111 nan 8.250 nan 0.000 0.479 405 K N -0.817 119.486 120.400 -0.162 0.000 3.125 405 K HA -0.168 4.151 4.320 -0.003 0.000 0.268 405 K C -0.061 176.637 176.600 0.162 0.000 1.078 405 K CA 1.113 57.359 56.287 -0.067 0.000 0.775 405 K CB -2.281 30.148 32.500 -0.118 0.000 1.253 405 K HN 0.356 nan 8.250 nan 0.000 0.486 406 Y N 0.148 120.398 120.300 -0.083 0.000 2.523 406 Y HA 0.127 4.675 4.550 -0.003 0.000 0.279 406 Y C 1.376 177.223 175.900 -0.088 0.000 1.139 406 Y CA -0.211 57.831 58.100 -0.096 0.000 1.296 406 Y CB -0.487 37.899 38.460 -0.123 0.000 1.045 406 Y HN 0.753 nan 8.280 nan 0.000 0.538 407 N N 1.110 119.870 118.700 0.101 0.000 2.371 407 N HA 0.087 4.825 4.740 -0.003 0.000 0.243 407 N C -2.888 172.595 175.510 -0.044 0.000 1.287 407 N CA -1.376 51.677 53.050 0.005 0.000 0.911 407 N CB 0.193 38.701 38.487 0.035 0.000 1.142 407 N HN -0.167 nan 8.380 nan 0.000 0.451 408 P HA 0.042 nan 4.420 nan 0.000 0.268 408 P C -0.951 176.280 177.300 -0.116 0.000 1.204 408 P CA -0.140 62.845 63.100 -0.191 0.000 0.768 408 P CB 0.790 32.268 31.700 -0.369 0.000 0.842 409 V N 4.916 124.739 119.914 -0.151 0.000 2.604 409 V HA 0.414 4.532 4.120 -0.003 0.000 0.305 409 V C 0.222 176.161 176.094 -0.259 0.000 1.043 409 V CA -0.564 61.629 62.300 -0.178 0.000 0.888 409 V CB 1.780 33.478 31.823 -0.207 0.000 0.995 409 V HN 0.374 nan 8.190 nan 0.000 0.429 410 I N 4.243 124.622 120.570 -0.317 0.000 2.377 410 I HA 0.498 4.666 4.170 -0.003 0.000 0.293 410 I C -0.698 175.010 176.117 -0.681 0.000 0.987 410 I CA -0.833 60.118 61.300 -0.582 0.000 1.185 410 I CB 1.995 39.568 38.000 -0.712 0.000 1.341 410 I HN 0.255 nan 8.210 nan 0.000 0.455 411 V N 6.832 126.338 119.914 -0.679 0.000 2.350 411 V HA 0.348 4.466 4.120 -0.003 0.000 0.285 411 V C -0.474 175.426 176.094 -0.324 0.000 1.014 411 V CA -0.506 61.556 62.300 -0.395 0.000 0.831 411 V CB 0.855 32.598 31.823 -0.134 0.000 1.000 411 V HN 0.363 nan 8.190 nan 0.000 0.433 412 F N 2.513 122.496 119.950 0.054 0.000 2.404 412 F HA 0.627 5.152 4.527 -0.003 0.000 0.345 412 F C 0.984 176.903 175.800 0.199 0.000 1.110 412 F CA 0.201 58.298 58.000 0.161 0.000 1.130 412 F CB 1.452 40.609 39.000 0.261 0.000 1.129 412 F HN 0.428 nan 8.300 nan 0.000 0.500 413 S N 0.693 116.590 115.700 0.329 0.000 2.806 413 S HA 0.708 5.176 4.470 -0.003 0.000 0.315 413 S C 0.618 175.336 174.600 0.197 0.000 1.127 413 S CA -0.181 58.158 58.200 0.232 0.000 0.918 413 S CB 0.917 64.213 63.200 0.159 0.000 1.240 413 S HN 0.524 nan 8.310 nan 0.000 0.552 414 F N 0.331 120.361 119.950 0.132 0.000 2.694 414 F HA 0.477 5.003 4.527 -0.003 0.000 0.292 414 F C 1.162 176.994 175.800 0.055 0.000 1.121 414 F CA 0.352 58.410 58.000 0.096 0.000 1.352 414 F CB -0.782 38.265 39.000 0.079 0.000 1.107 414 F HN 0.614 nan 8.300 nan 0.000 0.597 415 S N -0.987 114.735 115.700 0.037 0.000 2.648 415 S HA 0.413 4.881 4.470 -0.003 0.000 0.305 415 S C 0.323 174.879 174.600 -0.074 0.000 1.094 415 S CA -0.204 57.988 58.200 -0.013 0.000 0.983 415 S CB 1.986 65.187 63.200 0.001 0.000 1.101 415 S HN 0.380 nan 8.310 nan 0.000 0.514 416 K N 0.391 120.677 120.400 -0.190 0.000 2.167 416 K HA 0.124 4.442 4.320 -0.003 0.000 0.203 416 K C 2.255 178.729 176.600 -0.209 0.000 1.052 416 K CA 0.501 56.523 56.287 -0.442 0.000 0.956 416 K CB -0.104 31.853 32.500 -0.904 0.000 0.735 416 K HN 0.503 nan 8.250 nan 0.000 0.451 417 R N 1.029 121.495 120.500 -0.055 0.000 2.092 417 R HA -0.116 4.222 4.340 -0.003 0.000 0.231 417 R C 1.568 177.865 176.300 -0.004 0.000 1.119 417 R CA 1.467 57.579 56.100 0.019 0.000 0.970 417 R CB -0.145 30.180 30.300 0.042 0.000 0.864 417 R HN 0.173 nan 8.270 nan 0.000 0.440 418 D N 0.133 120.524 120.400 -0.014 0.000 2.097 418 D HA -0.142 4.496 4.640 -0.003 0.000 0.195 418 D C 1.851 178.118 176.300 -0.055 0.000 0.989 418 D CA 0.996 54.983 54.000 -0.021 0.000 0.827 418 D CB -0.405 40.400 40.800 0.009 0.000 0.966 418 D HN 0.189 nan 8.370 nan 0.000 0.456 419 C N 0.802 120.094 119.300 -0.014 0.000 2.410 419 C HA -0.099 4.359 4.460 -0.003 0.000 0.281 419 C C 2.448 177.432 174.990 -0.010 0.000 1.318 419 C CA 0.621 59.656 59.018 0.028 0.000 1.776 419 C CB -0.737 27.092 27.740 0.149 0.000 1.942 419 C HN 0.398 nan 8.230 nan 0.000 0.508 420 E N 0.011 120.218 120.200 0.011 0.000 2.057 420 E HA -0.113 4.235 4.350 -0.003 0.000 0.190 420 E C 2.093 178.664 176.600 -0.048 0.000 0.969 420 E CA 0.499 56.920 56.400 0.035 0.000 0.812 420 E CB -0.221 29.547 29.700 0.113 0.000 0.777 420 E HN 0.602 nan 8.360 nan 0.000 0.455 421 E N 0.891 121.057 120.200 -0.056 0.000 2.118 421 E HA -0.183 4.165 4.350 -0.003 0.000 0.195 421 E C 2.112 178.626 176.600 -0.145 0.000 0.992 421 E CA 0.693 57.052 56.400 -0.070 0.000 0.804 421 E CB 0.012 29.687 29.700 -0.042 0.000 0.741 421 E HN 0.192 nan 8.360 nan 0.000 0.458 422 L N 0.074 121.131 121.223 -0.278 0.000 2.093 422 L HA -0.156 4.182 4.340 -0.003 0.000 0.208 422 L C 2.502 178.985 176.870 -0.645 0.000 1.085 422 L CA 0.826 55.351 54.840 -0.524 0.000 0.755 422 L CB -0.343 41.197 42.059 -0.865 0.000 0.904 422 L HN 0.151 nan 8.230 nan 0.000 0.435 423 A N -0.044 122.469 122.820 -0.512 0.000 1.972 423 A HA -0.161 4.157 4.320 -0.003 0.000 0.219 423 A C 2.201 179.760 177.584 -0.043 0.000 1.169 423 A CA 1.414 53.343 52.037 -0.179 0.000 0.635 423 A CB -0.545 18.461 19.000 0.010 0.000 0.810 423 A HN 0.395 nan 8.150 nan 0.000 0.446 424 L N -1.294 119.894 121.223 -0.058 0.000 2.179 424 L HA 0.001 4.339 4.340 -0.003 0.000 0.208 424 L C 2.154 179.036 176.870 0.020 0.000 1.096 424 L CA 1.082 55.917 54.840 -0.009 0.000 0.779 424 L CB -0.196 41.852 42.059 -0.018 0.000 0.922 424 L HN 0.301 nan 8.230 nan 0.000 0.443 425 K N -0.011 120.393 120.400 0.007 0.000 2.589 425 K HA 0.017 4.335 4.320 -0.003 0.000 0.204 425 K C 0.958 177.682 176.600 0.205 0.000 1.029 425 K CA 0.270 56.617 56.287 0.101 0.000 1.177 425 K CB 0.292 32.837 32.500 0.075 0.000 0.902 425 K HN 0.210 nan 8.250 nan 0.000 0.501 426 M N -1.799 117.874 119.600 0.122 0.000 2.040 426 M HA -0.026 4.452 4.480 -0.003 0.000 0.338 426 M C 1.545 177.906 176.300 0.102 0.000 0.905 426 M CA 0.407 55.771 55.300 0.106 0.000 1.148 426 M CB 0.310 33.022 32.600 0.185 0.000 2.135 426 M HN 0.112 nan 8.290 nan 0.000 0.728 427 S N 0.732 116.485 115.700 0.089 0.000 2.419 427 S HA -0.124 4.345 4.470 -0.003 0.000 0.235 427 S C 1.679 176.296 174.600 0.028 0.000 1.019 427 S CA 0.927 59.163 58.200 0.060 0.000 0.982 427 S CB -0.394 62.831 63.200 0.041 0.000 0.789 427 S HN 0.273 nan 8.310 nan 0.000 0.490 428 K N 0.873 121.302 120.400 0.048 0.000 2.160 428 K HA 0.069 4.387 4.320 -0.003 0.000 0.206 428 K C 0.911 177.489 176.600 -0.036 0.000 1.047 428 K CA 0.567 56.872 56.287 0.030 0.000 0.930 428 K CB -0.892 31.663 32.500 0.091 0.000 0.720 428 K HN 0.392 nan 8.250 nan 0.000 0.450 429 L N 0.288 121.454 121.223 -0.096 0.000 2.744 429 L HA 0.240 4.578 4.340 -0.003 0.000 0.218 429 L C 0.254 176.883 176.870 -0.402 0.000 1.190 429 L CA 0.088 54.744 54.840 -0.306 0.000 0.869 429 L CB 0.174 41.926 42.059 -0.511 0.000 1.652 429 L HN 0.004 nan 8.230 nan 0.000 0.519 430 D N -2.098 117.825 120.400 -0.795 0.000 2.787 430 D HA 0.226 4.864 4.640 -0.003 0.000 0.215 430 D C -0.897 174.803 176.300 -0.999 0.000 1.246 430 D CA -0.342 53.288 54.000 -0.616 0.000 0.798 430 D CB 0.963 41.592 40.800 -0.285 0.000 1.649 430 D HN 0.279 nan 8.370 nan 0.000 0.507 431 F N 0.648 120.346 119.950 -0.420 0.000 2.817 431 F HA 0.327 4.852 4.527 -0.003 0.000 0.333 431 F C 0.885 176.552 175.800 -0.222 0.000 1.085 431 F CA -0.490 57.123 58.000 -0.646 0.000 1.170 431 F CB 0.548 38.983 39.000 -0.943 0.000 1.066 431 F HN 0.033 nan 8.300 nan 0.000 0.564 432 N N 1.120 119.842 118.700 0.037 0.000 2.400 432 N HA 0.221 4.959 4.740 -0.003 0.000 0.288 432 N C -0.150 175.399 175.510 0.065 0.000 1.024 432 N CA -0.082 53.017 53.050 0.082 0.000 0.894 432 N CB 1.661 40.195 38.487 0.078 0.000 1.173 432 N HN 0.053 nan 8.380 nan 0.000 0.487 433 S N 0.838 116.595 115.700 0.094 0.000 2.593 433 S HA 0.112 4.580 4.470 -0.003 0.000 0.269 433 S C 0.623 175.250 174.600 0.046 0.000 1.334 433 S CA -0.267 57.976 58.200 0.071 0.000 1.015 433 S CB 0.832 64.081 63.200 0.082 0.000 0.912 433 S HN 0.365 nan 8.310 nan 0.000 0.541 434 D N 0.396 120.813 120.400 0.029 0.000 2.311 434 D HA -0.049 4.589 4.640 -0.003 0.000 0.212 434 D C 1.213 177.521 176.300 0.014 0.000 0.972 434 D CA 1.153 55.160 54.000 0.013 0.000 0.887 434 D CB -0.117 40.688 40.800 0.008 0.000 0.915 434 D HN 0.708 nan 8.370 nan 0.000 0.497 435 D N 0.108 120.528 120.400 0.033 0.000 2.201 435 D HA -0.054 4.584 4.640 -0.003 0.000 0.209 435 D C 1.605 177.937 176.300 0.052 0.000 0.961 435 D CA 0.671 54.694 54.000 0.039 0.000 0.861 435 D CB 0.154 40.985 40.800 0.051 0.000 0.997 435 D HN 0.183 nan 8.370 nan 0.000 0.486 436 E N 0.337 120.594 120.200 0.095 0.000 2.110 436 E HA -0.147 4.201 4.350 -0.003 0.000 0.193 436 E C 2.112 178.693 176.600 -0.032 0.000 0.988 436 E CA 0.757 57.253 56.400 0.160 0.000 0.804 436 E CB 0.119 29.981 29.700 0.271 0.000 0.745 436 E HN 0.273 nan 8.360 nan 0.000 0.458 437 K N 0.461 120.844 120.400 -0.027 0.000 2.032 437 K HA -0.202 4.116 4.320 -0.003 0.000 0.209 437 K C 2.503 179.028 176.600 -0.126 0.000 1.048 437 K CA 1.736 57.973 56.287 -0.083 0.000 0.927 437 K CB -0.248 32.223 32.500 -0.048 0.000 0.712 437 K HN 0.198 nan 8.250 nan 0.000 0.441 438 E N 0.998 121.147 120.200 -0.085 0.000 2.204 438 E HA -0.072 4.276 4.350 -0.003 0.000 0.194 438 E C 1.880 178.408 176.600 -0.120 0.000 0.989 438 E CA 1.265 57.618 56.400 -0.079 0.000 0.824 438 E CB -0.566 29.111 29.700 -0.039 0.000 0.756 438 E HN 0.455 nan 8.360 nan 0.000 0.477 439 A N 0.565 123.278 122.820 -0.179 0.000 1.898 439 A HA 0.221 4.540 4.320 -0.003 0.000 0.214 439 A C 2.439 179.729 177.584 -0.490 0.000 1.183 439 A CA 1.652 53.539 52.037 -0.251 0.000 0.622 439 A CB -0.290 18.622 19.000 -0.146 0.000 0.824 439 A HN 0.840 nan 8.150 nan 0.000 0.444 440 L N -2.720 118.056 121.223 -0.745 0.000 2.209 440 L HA 0.125 4.463 4.340 -0.003 0.000 0.207 440 L C 1.911 178.641 176.870 -0.233 0.000 1.094 440 L CA 2.363 56.789 54.840 -0.690 0.000 0.790 440 L CB -1.502 40.104 42.059 -0.756 0.000 0.932 440 L HN 0.060 nan 8.230 nan 0.000 0.447 441 T N -0.179 114.267 114.554 -0.180 0.000 2.881 441 T HA -0.161 4.187 4.350 -0.003 0.000 0.270 441 T C 1.805 176.519 174.700 0.024 0.000 1.068 441 T CA 1.777 63.839 62.100 -0.063 0.000 1.131 441 T CB -0.189 68.627 68.868 -0.086 0.000 0.871 441 T HN 0.407 nan 8.240 nan 0.000 0.479 442 K N 0.733 121.113 120.400 -0.034 0.000 2.025 442 K HA 0.043 4.361 4.320 -0.003 0.000 0.207 442 K C 2.187 178.795 176.600 0.014 0.000 1.049 442 K CA 1.021 57.304 56.287 -0.007 0.000 0.933 442 K CB -0.206 32.277 32.500 -0.028 0.000 0.714 442 K HN 0.286 nan 8.250 nan 0.000 0.438 443 I N 0.437 121.006 120.570 -0.002 0.000 2.226 443 I HA -0.259 3.909 4.170 -0.003 0.000 0.245 443 I C 2.200 178.344 176.117 0.046 0.000 1.100 443 I CA 1.074 62.385 61.300 0.018 0.000 1.374 443 I CB -0.288 37.727 38.000 0.024 0.000 1.057 443 I HN 0.175 nan 8.210 nan 0.000 0.413 444 F N 2.184 122.099 119.950 -0.059 0.000 2.102 444 F HA -0.240 4.285 4.527 -0.003 0.000 0.298 444 F C 2.365 178.145 175.800 -0.034 0.000 1.105 444 F CA 1.735 59.711 58.000 -0.040 0.000 1.239 444 F CB -0.291 38.684 39.000 -0.042 0.000 0.991 444 F HN 0.056 nan 8.300 nan 0.000 0.474 445 N N 0.769 119.573 118.700 0.173 0.000 2.244 445 N HA -0.162 4.576 4.740 -0.003 0.000 0.183 445 N C 1.392 176.878 175.510 -0.039 0.000 1.016 445 N CA 1.003 54.095 53.050 0.070 0.000 0.866 445 N CB -0.605 37.946 38.487 0.107 0.000 0.980 445 N HN 0.348 nan 8.380 nan 0.000 0.430 446 N N 1.213 119.890 118.700 -0.037 0.000 2.120 446 N HA -0.067 4.671 4.740 -0.003 0.000 0.188 446 N C 1.648 177.101 175.510 -0.094 0.000 1.024 446 N CA 1.141 54.160 53.050 -0.050 0.000 0.852 446 N CB -0.381 38.088 38.487 -0.030 0.000 1.003 446 N HN 0.220 nan 8.380 nan 0.000 0.424 447 A N 1.261 123.990 122.820 -0.151 0.000 1.873 447 A HA -0.053 4.265 4.320 -0.003 0.000 0.215 447 A C 2.011 179.465 177.584 -0.217 0.000 1.186 447 A CA 0.862 52.784 52.037 -0.192 0.000 0.616 447 A CB -0.445 18.405 19.000 -0.250 0.000 0.823 447 A HN 0.127 nan 8.150 nan 0.000 0.442 448 I N 0.245 120.636 120.570 -0.298 0.000 2.454 448 I HA -0.211 3.957 4.170 -0.003 0.000 0.254 448 I C 2.657 178.695 176.117 -0.131 0.000 1.156 448 I CA 1.320 62.473 61.300 -0.244 0.000 1.433 448 I CB -1.560 36.281 38.000 -0.265 0.000 1.082 448 I HN 0.358 nan 8.210 nan 0.000 0.432 449 A N 0.354 123.112 122.820 -0.103 0.000 2.168 449 A HA -0.002 4.316 4.320 -0.003 0.000 0.215 449 A C 2.159 179.707 177.584 -0.060 0.000 1.152 449 A CA 0.589 52.589 52.037 -0.063 0.000 0.716 449 A CB -0.529 18.445 19.000 -0.044 0.000 0.794 449 A HN 0.429 nan 8.150 nan 0.000 0.465 450 L N -0.498 120.680 121.223 -0.076 0.000 2.591 450 L HA 0.206 4.544 4.340 -0.003 0.000 0.228 450 L C 0.173 177.002 176.870 -0.067 0.000 1.133 450 L CA -0.138 54.663 54.840 -0.063 0.000 0.880 450 L CB -0.302 41.718 42.059 -0.066 0.000 1.033 450 L HN 0.282 nan 8.230 nan 0.000 0.450 451 L N 0.198 121.374 121.223 -0.079 0.000 2.379 451 L HA 0.343 4.681 4.340 -0.003 0.000 0.269 451 L C -2.021 174.812 176.870 -0.062 0.000 1.084 451 L CA -2.051 52.741 54.840 -0.080 0.000 0.802 451 L CB 0.415 42.416 42.059 -0.095 0.000 1.175 451 L HN -0.232 nan 8.230 nan 0.000 0.448 452 P HA -0.001 nan 4.420 nan 0.000 0.266 452 P C 0.161 177.439 177.300 -0.038 0.000 1.195 452 P CA 0.011 63.082 63.100 -0.048 0.000 0.768 452 P CB 0.470 32.139 31.700 -0.051 0.000 0.838 453 E N 0.875 121.057 120.200 -0.029 0.000 2.147 453 E HA -0.252 4.096 4.350 -0.003 0.000 0.199 453 E C 1.635 178.226 176.600 -0.015 0.000 1.005 453 E CA 2.143 58.531 56.400 -0.020 0.000 0.810 453 E CB -0.539 29.151 29.700 -0.016 0.000 0.736 453 E HN 0.659 nan 8.360 nan 0.000 0.460 454 T N -0.779 113.767 114.554 -0.013 0.000 2.904 454 T HA -0.112 4.236 4.350 -0.003 0.000 0.267 454 T C 1.333 176.037 174.700 0.006 0.000 1.059 454 T CA 1.179 63.279 62.100 -0.000 0.000 1.137 454 T CB -0.010 68.861 68.868 0.004 0.000 0.879 454 T HN -0.015 nan 8.240 nan 0.000 0.467 455 D N 0.928 121.320 120.400 -0.014 0.000 2.339 455 D HA 0.125 4.763 4.640 -0.003 0.000 0.217 455 D C 2.075 178.359 176.300 -0.027 0.000 1.050 455 D CA 0.034 54.019 54.000 -0.025 0.000 0.856 455 D CB -0.024 40.727 40.800 -0.082 0.000 0.922 455 D HN 0.478 nan 8.370 nan 0.000 0.518 456 R N 0.883 121.370 120.500 -0.022 0.000 2.237 456 R HA -0.044 4.295 4.340 -0.003 0.000 0.219 456 R C 1.365 177.668 176.300 0.005 0.000 1.080 456 R CA 1.014 57.103 56.100 -0.019 0.000 0.995 456 R CB 0.011 30.301 30.300 -0.017 0.000 0.875 456 R HN 0.141 nan 8.270 nan 0.000 0.462 457 E N 1.187 121.394 120.200 0.012 0.000 3.105 457 E HA 0.259 4.607 4.350 -0.003 0.000 0.219 457 E C -0.270 176.342 176.600 0.019 0.000 1.064 457 E CA -0.204 56.208 56.400 0.019 0.000 1.342 457 E CB -0.061 29.650 29.700 0.018 0.000 1.295 457 E HN 0.143 nan 8.360 nan 0.000 0.438 458 L N 0.156 121.392 121.223 0.022 0.000 2.350 458 L HA 0.301 4.639 4.340 -0.003 0.000 0.275 458 L C -1.419 175.434 176.870 -0.028 0.000 1.099 458 L CA -2.077 52.783 54.840 0.033 0.000 0.808 458 L CB 1.849 43.951 42.059 0.071 0.000 1.149 458 L HN 0.108 nan 8.230 nan 0.000 0.442 459 P HA -0.232 nan 4.420 nan 0.000 0.216 459 P C 1.025 178.064 177.300 -0.435 0.000 1.154 459 P CA 1.301 64.221 63.100 -0.300 0.000 0.865 459 P CB 0.223 31.814 31.700 -0.181 0.000 0.789 460 Q N -0.731 118.997 119.800 -0.119 0.000 2.061 460 Q HA -0.133 4.205 4.340 -0.003 0.000 0.204 460 Q C 2.205 178.236 176.000 0.051 0.000 0.984 460 Q CA 1.403 57.217 55.803 0.019 0.000 0.846 460 Q CB -1.148 27.660 28.738 0.116 0.000 0.902 460 Q HN 0.296 nan 8.270 nan 0.000 0.421 461 I N 0.570 121.174 120.570 0.057 0.000 2.226 461 I HA -0.308 3.860 4.170 -0.003 0.000 0.245 461 I C 1.966 178.173 176.117 0.150 0.000 1.100 461 I CA 1.300 62.694 61.300 0.157 0.000 1.374 461 I CB -0.393 37.683 38.000 0.127 0.000 1.057 461 I HN 0.209 nan 8.210 nan 0.000 0.413 462 K N -0.043 120.364 120.400 0.012 0.000 2.002 462 K HA -0.175 4.143 4.320 -0.003 0.000 0.209 462 K C 2.191 178.828 176.600 0.062 0.000 1.048 462 K CA 1.343 57.630 56.287 -0.000 0.000 0.930 462 K CB -0.561 31.895 32.500 -0.074 0.000 0.714 462 K HN 0.335 nan 8.250 nan 0.000 0.438 463 H N 0.807 119.914 119.070 0.060 0.000 2.390 463 H HA -0.101 4.453 4.556 -0.003 0.000 0.298 463 H C 2.087 177.436 175.328 0.035 0.000 1.106 463 H CA 1.109 57.186 56.048 0.047 0.000 1.297 463 H CB -0.378 29.422 29.762 0.064 0.000 1.375 463 H HN 0.205 nan 8.280 nan 0.000 0.509 464 I N -0.173 120.498 120.570 0.168 0.000 2.500 464 I HA -0.175 3.993 4.170 -0.003 0.000 0.252 464 I C 2.131 178.236 176.117 -0.019 0.000 1.142 464 I CA 0.324 61.691 61.300 0.112 0.000 1.451 464 I CB 0.058 38.158 38.000 0.166 0.000 1.093 464 I HN 0.068 nan 8.210 nan 0.000 0.430 465 L N 2.212 123.340 121.223 -0.157 0.000 2.012 465 L HA -0.087 4.251 4.340 -0.003 0.000 0.210 465 L C -0.699 176.031 176.870 -0.233 0.000 1.073 465 L CA 2.384 56.960 54.840 -0.440 0.000 0.748 465 L CB -1.978 39.695 42.059 -0.643 0.000 0.891 465 L HN 0.081 nan 8.230 nan 0.000 0.431 466 P HA -0.205 nan 4.420 nan 0.000 0.215 466 P C 2.190 179.465 177.300 -0.042 0.000 1.157 466 P CA 1.695 64.755 63.100 -0.065 0.000 0.874 466 P CB -0.084 31.605 31.700 -0.018 0.000 0.790 467 L N -1.730 119.486 121.223 -0.013 0.000 2.046 467 L HA -0.169 4.169 4.340 -0.003 0.000 0.208 467 L C 2.478 179.354 176.870 0.009 0.000 1.077 467 L CA 1.300 56.152 54.840 0.020 0.000 0.747 467 L CB -0.979 41.114 42.059 0.056 0.000 0.896 467 L HN -0.033 nan 8.230 nan 0.000 0.432 468 L N -0.686 120.519 121.223 -0.029 0.000 2.131 468 L HA -0.172 4.166 4.340 -0.003 0.000 0.210 468 L C 2.805 179.649 176.870 -0.043 0.000 1.092 468 L CA 1.073 55.895 54.840 -0.031 0.000 0.759 468 L CB -0.480 41.534 42.059 -0.076 0.000 0.903 468 L HN 0.221 nan 8.230 nan 0.000 0.435 469 R N 0.063 120.517 120.500 -0.077 0.000 2.115 469 R HA -0.077 4.261 4.340 -0.003 0.000 0.230 469 R C 2.024 178.313 176.300 -0.020 0.000 1.111 469 R CA 0.865 56.925 56.100 -0.067 0.000 0.976 469 R CB -0.250 29.999 30.300 -0.086 0.000 0.870 469 R HN 0.381 nan 8.270 nan 0.000 0.445 470 R N 0.050 120.549 120.500 -0.002 0.000 2.313 470 R HA 0.056 4.394 4.340 -0.003 0.000 0.199 470 R C 0.784 177.156 176.300 0.119 0.000 0.958 470 R CA 0.573 56.690 56.100 0.027 0.000 1.047 470 R CB 0.360 30.674 30.300 0.023 0.000 0.955 470 R HN 0.405 nan 8.270 nan 0.000 0.481 471 G N 1.496 110.336 108.800 0.067 0.000 2.137 471 G HA2 -0.253 3.705 3.960 -0.003 0.000 0.237 471 G HA3 -0.253 3.705 3.960 -0.003 0.000 0.237 471 G C 0.043 174.899 174.900 -0.073 0.000 1.002 471 G CA -0.257 44.855 45.100 0.021 0.000 0.702 471 G HN 0.245 nan 8.290 nan 0.000 0.515 472 I N 0.645 121.215 120.570 -0.000 0.000 2.404 472 I HA 0.669 4.837 4.170 -0.003 0.000 0.293 472 I C 0.727 176.864 176.117 0.035 0.000 0.992 472 I CA -0.470 60.828 61.300 -0.004 0.000 1.149 472 I CB 2.017 40.079 38.000 0.104 0.000 1.315 472 I HN 0.182 nan 8.210 nan 0.000 0.446 473 G N 6.371 115.185 108.800 0.022 0.000 2.620 473 G HA2 0.780 4.738 3.960 -0.003 0.000 0.301 473 G HA3 0.780 4.738 3.960 -0.003 0.000 0.301 473 G C -1.055 173.908 174.900 0.105 0.000 1.347 473 G CA -0.498 44.639 45.100 0.061 0.000 0.971 473 G HN 0.449 nan 8.290 nan 0.000 0.488 474 I N 0.543 121.194 120.570 0.134 0.000 2.648 474 I HA 0.489 4.657 4.170 -0.003 0.000 0.304 474 I C -0.579 175.629 176.117 0.151 0.000 1.009 474 I CA -0.995 60.404 61.300 0.164 0.000 1.114 474 I CB 2.466 40.562 38.000 0.160 0.000 1.293 474 I HN 0.477 nan 8.210 nan 0.000 0.449 475 H N 4.822 123.913 119.070 0.034 0.000 3.221 475 H HA 0.330 4.884 4.556 -0.003 0.000 0.324 475 H C -1.796 173.590 175.328 0.096 0.000 1.212 475 H CA -0.462 55.598 56.048 0.020 0.000 1.624 475 H CB 0.765 30.559 29.762 0.053 0.000 1.899 475 H HN 0.907 nan 8.280 nan 0.000 0.538 476 H N 0.243 119.197 119.070 -0.194 0.000 2.977 476 H HA 0.290 4.844 4.556 -0.003 0.000 0.350 476 H C 0.553 175.754 175.328 -0.212 0.000 1.238 476 H CA -0.274 55.670 56.048 -0.173 0.000 1.124 476 H CB 0.863 30.559 29.762 -0.110 0.000 1.866 476 H HN 0.164 nan 8.280 nan 0.000 0.550 477 S N -0.637 115.082 115.700 0.032 0.000 2.603 477 S HA 0.020 4.488 4.470 -0.003 0.000 0.229 477 S C 1.710 176.348 174.600 0.063 0.000 0.972 477 S CA 0.297 58.501 58.200 0.006 0.000 0.935 477 S CB -0.663 62.555 63.200 0.030 0.000 0.769 477 S HN 0.842 nan 8.310 nan 0.000 0.536 478 G N 0.874 109.793 108.800 0.197 0.000 2.712 478 G HA2 0.278 4.236 3.960 -0.003 0.000 0.212 478 G HA3 0.278 4.236 3.960 -0.003 0.000 0.212 478 G C 0.405 175.424 174.900 0.197 0.000 1.142 478 G CA -0.284 44.904 45.100 0.147 0.000 0.789 478 G HN 0.463 nan 8.290 nan 0.000 0.535 479 L N 0.826 122.011 121.223 -0.063 0.000 2.436 479 L HA 0.300 4.638 4.340 -0.003 0.000 0.265 479 L C 0.488 177.377 176.870 0.032 0.000 1.168 479 L CA -0.776 54.028 54.840 -0.059 0.000 0.815 479 L CB 1.174 43.095 42.059 -0.229 0.000 1.109 479 L HN -0.026 nan 8.230 nan 0.000 0.462 480 L N 3.374 124.632 121.223 0.059 0.000 2.490 480 L HA 0.003 4.341 4.340 -0.003 0.000 0.274 480 L C -1.329 175.545 176.870 0.007 0.000 1.201 480 L CA -1.253 53.609 54.840 0.037 0.000 0.869 480 L CB 0.128 42.196 42.059 0.014 0.000 1.123 480 L HN 0.451 nan 8.230 nan 0.000 0.484 481 P HA -0.241 nan 4.420 nan 0.000 0.216 481 P C 1.587 178.888 177.300 0.003 0.000 1.154 481 P CA 1.154 64.264 63.100 0.017 0.000 0.865 481 P CB 0.198 31.909 31.700 0.018 0.000 0.789 482 I N -1.246 119.303 120.570 -0.035 0.000 2.226 482 I HA -0.208 3.960 4.170 -0.003 0.000 0.245 482 I C 2.057 178.137 176.117 -0.062 0.000 1.100 482 I CA 1.533 62.792 61.300 -0.069 0.000 1.374 482 I CB -0.858 37.076 38.000 -0.110 0.000 1.057 482 I HN -0.167 nan 8.210 nan 0.000 0.413 483 L N -0.091 121.115 121.223 -0.027 0.000 2.027 483 L HA -0.223 4.115 4.340 -0.003 0.000 0.206 483 L C 2.562 179.473 176.870 0.069 0.000 1.074 483 L CA 1.608 56.463 54.840 0.025 0.000 0.745 483 L CB -0.821 41.272 42.059 0.056 0.000 0.898 483 L HN 0.210 nan 8.230 nan 0.000 0.433 484 K N 0.556 120.989 120.400 0.054 0.000 2.044 484 K HA -0.242 4.076 4.320 -0.003 0.000 0.210 484 K C 1.933 178.661 176.600 0.214 0.000 1.049 484 K CA 1.891 58.245 56.287 0.111 0.000 0.927 484 K CB 0.041 32.562 32.500 0.035 0.000 0.713 484 K HN 0.341 nan 8.250 nan 0.000 0.443 485 E N -0.351 119.916 120.200 0.112 0.000 2.107 485 E HA -0.130 4.218 4.350 -0.003 0.000 0.191 485 E C 1.958 178.543 176.600 -0.025 0.000 0.982 485 E CA 0.933 57.358 56.400 0.042 0.000 0.809 485 E CB 0.064 29.695 29.700 -0.115 0.000 0.756 485 E HN 0.128 nan 8.360 nan 0.000 0.459 486 V N 1.286 121.192 119.914 -0.013 0.000 2.515 486 V HA -0.188 3.930 4.120 -0.003 0.000 0.250 486 V C 1.909 178.084 176.094 0.134 0.000 1.058 486 V CA 1.318 63.624 62.300 0.010 0.000 1.064 486 V CB -0.187 31.615 31.823 -0.036 0.000 0.675 486 V HN 0.252 nan 8.190 nan 0.000 0.461 487 I N -0.133 120.550 120.570 0.188 0.000 2.315 487 I HA -0.209 3.959 4.170 -0.003 0.000 0.248 487 I C 2.462 178.749 176.117 0.283 0.000 1.117 487 I CA 1.728 63.170 61.300 0.236 0.000 1.404 487 I CB -0.406 37.740 38.000 0.244 0.000 1.071 487 I HN 0.407 nan 8.210 nan 0.000 0.419 488 E N 1.006 121.402 120.200 0.326 0.000 2.110 488 E HA -0.199 4.149 4.350 -0.003 0.000 0.193 488 E C 2.242 179.062 176.600 0.368 0.000 0.988 488 E CA 1.226 57.876 56.400 0.418 0.000 0.804 488 E CB -0.047 29.865 29.700 0.353 0.000 0.745 488 E HN 0.515 nan 8.360 nan 0.000 0.458 489 I N 0.778 121.494 120.570 0.244 0.000 2.353 489 I HA -0.228 3.940 4.170 -0.003 0.000 0.248 489 I C 2.209 178.472 176.117 0.242 0.000 1.119 489 I CA 0.784 62.206 61.300 0.203 0.000 1.417 489 I CB -0.091 37.959 38.000 0.084 0.000 1.078 489 I HN 0.108 nan 8.210 nan 0.000 0.421 490 L N -0.507 120.875 121.223 0.266 0.000 2.072 490 L HA -0.191 4.147 4.340 -0.003 0.000 0.205 490 L C 2.566 179.591 176.870 0.260 0.000 1.079 490 L CA 1.307 56.338 54.840 0.319 0.000 0.752 490 L CB -0.591 41.641 42.059 0.288 0.000 0.906 490 L HN 0.180 nan 8.230 nan 0.000 0.436 491 F N 1.096 121.107 119.950 0.103 0.000 2.134 491 F HA -0.268 4.257 4.527 -0.003 0.000 0.299 491 F C 2.685 178.507 175.800 0.035 0.000 1.097 491 F CA 1.634 59.641 58.000 0.012 0.000 1.264 491 F CB -0.142 38.809 39.000 -0.082 0.000 1.001 491 F HN 0.057 nan 8.300 nan 0.000 0.479 492 Q N -0.609 119.379 119.800 0.312 0.000 2.234 492 Q HA -0.250 4.088 4.340 -0.003 0.000 0.206 492 Q C 1.601 177.606 176.000 0.008 0.000 0.980 492 Q CA 1.693 57.607 55.803 0.185 0.000 0.869 492 Q CB -0.195 28.674 28.738 0.220 0.000 0.912 492 Q HN 0.358 nan 8.270 nan 0.000 0.436 493 E N -1.345 118.842 120.200 -0.023 0.000 2.479 493 E HA 0.058 4.406 4.350 -0.003 0.000 0.193 493 E C 0.846 177.115 176.600 -0.553 0.000 1.049 493 E CA 0.605 56.888 56.400 -0.195 0.000 0.870 493 E CB 0.395 30.107 29.700 0.020 0.000 0.944 493 E HN 0.421 nan 8.360 nan 0.000 0.492 494 G N -0.108 108.434 108.800 -0.429 0.000 2.225 494 G HA2 -0.326 3.632 3.960 -0.003 0.000 0.254 494 G HA3 -0.326 3.632 3.960 -0.003 0.000 0.254 494 G C 0.771 175.435 174.900 -0.394 0.000 0.988 494 G CA 0.316 45.132 45.100 -0.472 0.000 0.625 494 G HN 0.312 nan 8.290 nan 0.000 0.527 495 F N 0.860 120.751 119.950 -0.098 0.000 2.641 495 F HA 0.342 4.867 4.527 -0.004 0.000 0.298 495 F C 1.490 177.236 175.800 -0.089 0.000 1.146 495 F CA 0.663 58.626 58.000 -0.062 0.000 1.464 495 F CB 0.049 39.040 39.000 -0.015 0.000 1.101 495 F HN 0.129 nan 8.300 nan 0.000 0.585 496 L N 1.075 122.275 121.223 -0.039 0.000 2.318 496 L HA 0.303 4.642 4.340 -0.003 0.000 0.277 496 L C 0.940 177.641 176.870 -0.282 0.000 1.008 496 L CA -0.613 54.172 54.840 -0.092 0.000 0.846 496 L CB 1.429 43.527 42.059 0.066 0.000 1.220 496 L HN -0.150 nan 8.230 nan 0.000 0.423 497 K N 1.835 122.055 120.400 -0.301 0.000 2.211 497 K HA 0.196 4.514 4.320 -0.003 0.000 0.201 497 K C 0.291 176.598 176.600 -0.489 0.000 1.052 497 K CA 0.653 56.700 56.287 -0.399 0.000 0.973 497 K CB 0.521 32.731 32.500 -0.482 0.000 0.766 497 K HN 0.283 nan 8.250 nan 0.000 0.466 498 V N 2.216 121.793 119.914 -0.562 0.000 2.525 498 V HA 0.305 4.423 4.120 -0.003 0.000 0.299 498 V C -1.231 174.548 176.094 -0.526 0.000 1.034 498 V CA -1.018 60.911 62.300 -0.617 0.000 0.863 498 V CB 1.912 33.228 31.823 -0.845 0.000 0.999 498 V HN 0.025 nan 8.190 nan 0.000 0.423 499 L N 5.670 126.574 121.223 -0.532 0.000 2.343 499 L HA 0.675 5.013 4.340 -0.003 0.000 0.278 499 L C -1.152 175.341 176.870 -0.629 0.000 0.996 499 L CA 0.042 54.589 54.840 -0.489 0.000 0.831 499 L CB 1.188 42.933 42.059 -0.523 0.000 1.232 499 L HN 0.476 nan 8.230 nan 0.000 0.413 500 F N 5.270 125.113 119.950 -0.179 0.000 2.368 500 F HA 0.696 5.221 4.527 -0.003 0.000 0.362 500 F C 0.710 176.460 175.800 -0.084 0.000 1.137 500 F CA -0.056 57.863 58.000 -0.136 0.000 1.161 500 F CB 0.627 39.595 39.000 -0.053 0.000 1.265 500 F HN 0.614 nan 8.300 nan 0.000 0.530 501 A N 1.819 124.626 122.820 -0.021 0.000 2.389 501 A HA 0.881 5.199 4.320 -0.003 0.000 0.293 501 A C 0.116 177.836 177.584 0.228 0.000 1.186 501 A CA -0.364 51.726 52.037 0.089 0.000 0.828 501 A CB 0.993 19.969 19.000 -0.040 0.000 1.369 501 A HN 0.551 nan 8.150 nan 0.000 0.446 502 T N -3.396 111.365 114.554 0.346 0.000 2.864 502 T HA 0.627 4.975 4.350 -0.003 0.000 0.276 502 T C 0.742 175.732 174.700 0.483 0.000 1.006 502 T CA 0.481 62.800 62.100 0.365 0.000 0.970 502 T CB 0.297 69.310 68.868 0.243 0.000 1.420 502 T HN 1.131 nan 8.240 nan 0.000 0.601 503 E N 0.014 120.402 120.200 0.314 0.000 2.441 503 E HA 0.232 4.580 4.350 -0.003 0.000 0.210 503 E C 1.368 178.103 176.600 0.224 0.000 1.306 503 E CA 0.455 56.982 56.400 0.213 0.000 1.307 503 E CB -1.807 27.956 29.700 0.105 0.000 1.297 503 E HN 0.778 nan 8.360 nan 0.000 0.440 504 T N -3.565 111.190 114.554 0.335 0.000 3.087 504 T HA 0.107 4.455 4.350 -0.003 0.000 0.237 504 T C 1.604 176.493 174.700 0.315 0.000 0.990 504 T CA 0.302 62.592 62.100 0.316 0.000 1.160 504 T CB -0.353 68.749 68.868 0.390 0.000 0.923 504 T HN 0.282 nan 8.240 nan 0.000 0.442 505 F N 2.737 122.832 119.950 0.242 0.000 2.773 505 F HA 0.240 4.765 4.527 -0.003 0.000 0.299 505 F C 1.799 177.668 175.800 0.116 0.000 1.204 505 F CA -0.090 57.943 58.000 0.055 0.000 1.454 505 F CB -0.297 38.599 39.000 -0.173 0.000 1.117 505 F HN 0.117 nan 8.300 nan 0.000 0.590 506 S N 0.291 116.149 115.700 0.263 0.000 2.603 506 S HA 0.132 4.600 4.470 -0.003 0.000 0.229 506 S C 0.571 175.230 174.600 0.098 0.000 0.972 506 S CA 0.418 58.719 58.200 0.167 0.000 0.935 506 S CB -0.342 62.904 63.200 0.077 0.000 0.769 506 S HN 0.185 nan 8.310 nan 0.000 0.536 507 I N 0.497 121.091 120.570 0.040 0.000 2.533 507 I HA 0.622 4.790 4.170 -0.003 0.000 0.290 507 I C 0.448 176.502 176.117 -0.105 0.000 1.056 507 I CA -0.749 60.564 61.300 0.021 0.000 1.057 507 I CB 1.718 39.775 38.000 0.095 0.000 1.240 507 I HN 0.209 nan 8.210 nan 0.000 0.423 513 A N 0.197 123.154 122.820 0.229 0.000 2.430 513 A HA 0.695 5.014 4.320 -0.003 0.000 0.300 513 A C 0.799 178.391 177.584 0.012 0.000 1.124 513 A CA -0.543 51.576 52.037 0.138 0.000 0.766 513 A CB 2.195 21.291 19.000 0.161 0.000 1.328 513 A HN 0.017 nan 8.150 nan 0.000 0.424 514 K N -0.544 119.828 120.400 -0.047 0.000 2.211 514 K HA 0.109 4.427 4.320 -0.003 0.000 0.201 514 K C -0.367 176.161 176.600 -0.120 0.000 1.052 514 K CA 1.277 57.507 56.287 -0.096 0.000 0.973 514 K CB 0.233 32.663 32.500 -0.116 0.000 0.766 514 K HN 0.685 nan 8.250 nan 0.000 0.466 515 T N 0.735 115.231 114.554 -0.097 0.000 2.886 515 T HA 0.386 4.734 4.350 -0.003 0.000 0.292 515 T C -1.332 173.296 174.700 -0.120 0.000 1.012 515 T CA -0.657 61.377 62.100 -0.109 0.000 0.982 515 T CB 2.383 71.206 68.868 -0.075 0.000 1.018 515 T HN -0.212 nan 8.240 nan 0.000 0.451 516 V N 3.311 123.144 119.914 -0.136 0.000 2.495 516 V HA 0.601 4.719 4.120 -0.003 0.000 0.298 516 V C -0.535 175.373 176.094 -0.311 0.000 1.031 516 V CA -0.657 61.517 62.300 -0.209 0.000 0.871 516 V CB 1.943 33.663 31.823 -0.171 0.000 0.988 516 V HN 0.713 nan 8.190 nan 0.000 0.432 517 V N 5.633 125.337 119.914 -0.351 0.000 2.444 517 V HA 0.533 4.651 4.120 -0.003 0.000 0.294 517 V C -0.733 175.245 176.094 -0.193 0.000 1.022 517 V CA -0.502 61.654 62.300 -0.241 0.000 0.850 517 V CB 1.488 33.225 31.823 -0.143 0.000 0.992 517 V HN 0.644 nan 8.190 nan 0.000 0.426 518 F N 2.229 122.311 119.950 0.220 0.000 2.399 518 F HA 0.540 5.065 4.527 -0.003 0.000 0.328 518 F C 1.292 177.203 175.800 0.185 0.000 1.084 518 F CA -0.709 57.435 58.000 0.240 0.000 1.053 518 F CB 1.880 41.024 39.000 0.240 0.000 1.209 518 F HN 0.514 nan 8.300 nan 0.000 0.502 519 T N -2.841 111.945 114.554 0.386 0.000 3.200 519 T HA 0.365 4.713 4.350 -0.003 0.000 0.284 519 T C -0.144 174.686 174.700 0.218 0.000 1.009 519 T CA -0.270 61.983 62.100 0.255 0.000 0.907 519 T CB -0.167 68.821 68.868 0.200 0.000 1.120 519 T HN 0.478 nan 8.240 nan 0.000 0.534 520 S N 0.228 116.067 115.700 0.232 0.000 2.550 520 S HA 0.550 5.018 4.470 -0.003 0.000 0.274 520 S C 0.396 175.064 174.600 0.112 0.000 1.110 520 S CA -0.138 58.151 58.200 0.149 0.000 1.013 520 S CB 0.203 63.472 63.200 0.115 0.000 1.152 520 S HN 1.297 nan 8.310 nan 0.000 0.450 533 S N 3.107 118.803 115.700 -0.007 0.000 2.681 533 S HA 0.662 5.130 4.470 -0.003 0.000 0.270 533 S C 1.382 175.987 174.600 0.008 0.000 1.209 533 S CA 0.181 58.376 58.200 -0.008 0.000 0.988 533 S CB 1.588 64.784 63.200 -0.007 0.000 1.006 533 S HN 1.417 nan 8.310 nan 0.000 0.558 534 G N 0.701 109.501 108.800 -0.001 0.000 2.511 534 G HA2 -0.010 3.948 3.960 -0.003 0.000 0.216 534 G HA3 -0.010 3.948 3.960 -0.003 0.000 0.216 534 G C 1.476 176.406 174.900 0.049 0.000 1.218 534 G CA 0.649 45.760 45.100 0.019 0.000 0.788 534 G HN 1.073 nan 8.290 nan 0.000 0.560 535 G N 0.549 109.360 108.800 0.019 0.000 2.503 535 G HA2 -0.224 3.734 3.960 -0.003 0.000 0.221 535 G HA3 -0.224 3.734 3.960 -0.003 0.000 0.221 535 G C 1.632 176.531 174.900 -0.002 0.000 1.131 535 G CA 1.407 46.509 45.100 0.003 0.000 0.756 535 G HN 0.561 nan 8.290 nan 0.000 0.572 536 E N -0.717 119.487 120.200 0.008 0.000 2.007 536 E HA -0.191 4.157 4.350 -0.003 0.000 0.194 536 E C 2.149 178.746 176.600 -0.005 0.000 0.999 536 E CA 1.222 57.617 56.400 -0.008 0.000 0.811 536 E CB -0.359 29.336 29.700 -0.009 0.000 0.762 536 E HN 0.524 nan 8.360 nan 0.000 0.450 537 Y N 1.631 121.877 120.300 -0.089 0.000 2.193 537 Y HA -0.250 4.299 4.550 -0.003 0.000 0.285 537 Y C 2.032 177.920 175.900 -0.020 0.000 1.166 537 Y CA 1.442 59.489 58.100 -0.089 0.000 1.181 537 Y CB -0.197 38.219 38.460 -0.075 0.000 0.976 537 Y HN 0.009 nan 8.280 nan 0.000 0.520 538 I N 0.078 120.693 120.570 0.074 0.000 2.236 538 I HA -0.405 3.763 4.170 -0.003 0.000 0.249 538 I C 2.019 178.112 176.117 -0.041 0.000 1.102 538 I CA 1.945 63.270 61.300 0.041 0.000 1.365 538 I CB -0.467 37.572 38.000 0.065 0.000 1.051 538 I HN 0.424 nan 8.210 nan 0.000 0.420 539 Q N -0.353 119.398 119.800 -0.082 0.000 2.402 539 Q HA 0.053 4.391 4.340 -0.003 0.000 0.206 539 Q C 2.183 178.123 176.000 -0.101 0.000 0.919 539 Q CA 0.605 56.353 55.803 -0.092 0.000 0.923 539 Q CB 0.211 28.877 28.738 -0.119 0.000 1.048 539 Q HN 0.568 nan 8.270 nan 0.000 0.515 540 M N 0.938 120.443 119.600 -0.159 0.000 2.081 540 M HA -0.034 4.444 4.480 -0.003 0.000 0.261 540 M C 1.395 177.695 176.300 0.000 0.000 1.075 540 M CA 0.665 55.889 55.300 -0.127 0.000 1.133 540 M CB -0.479 31.944 32.600 -0.295 0.000 1.330 540 M HN -0.014 nan 8.290 nan 0.000 0.414 541 S N 0.086 115.693 115.700 -0.155 0.000 2.579 541 S HA 0.461 4.929 4.470 -0.003 0.000 0.275 541 S C 0.980 175.554 174.600 -0.044 0.000 1.345 541 S CA -0.014 58.137 58.200 -0.081 0.000 1.031 541 S CB 1.125 64.212 63.200 -0.187 0.000 0.892 541 S HN 0.709 nan 8.310 nan 0.000 0.529 542 G N 1.003 109.790 108.800 -0.021 0.000 2.253 542 G HA2 -0.177 3.781 3.960 -0.003 0.000 0.209 542 G HA3 -0.177 3.781 3.960 -0.003 0.000 0.209 542 G C 0.971 175.871 174.900 -0.000 0.000 0.997 542 G CA 0.540 45.621 45.100 -0.032 0.000 0.640 542 G HN 1.229 nan 8.290 nan 0.000 0.496 543 R N 0.246 120.769 120.500 0.039 0.000 2.235 543 R HA 0.756 5.094 4.340 -0.003 0.000 0.213 543 R C 1.529 177.873 176.300 0.074 0.000 1.059 543 R CA 2.160 58.318 56.100 0.096 0.000 0.997 543 R CB -0.486 29.931 30.300 0.195 0.000 0.884 543 R HN 2.059 nan 8.270 nan 0.000 0.462 544 A N -0.635 122.197 122.820 0.020 0.000 2.293 544 A HA 0.665 4.983 4.320 -0.003 0.000 0.302 544 A C 0.905 178.456 177.584 -0.055 0.000 1.119 544 A CA -0.106 51.917 52.037 -0.024 0.000 0.823 544 A CB 0.309 19.274 19.000 -0.059 0.000 1.097 544 A HN 1.897 nan 8.150 nan 0.000 0.491 545 G N 0.945 109.700 108.800 -0.074 0.000 3.439 545 G HA2 -0.045 3.913 3.960 -0.003 0.000 0.684 545 G HA3 -0.045 3.913 3.960 -0.003 0.000 0.684 545 G C -0.638 174.223 174.900 -0.066 0.000 1.005 545 G CA -0.452 44.592 45.100 -0.093 0.000 0.837 545 G HN 0.926 nan 8.290 nan 0.000 0.470 546 R N 2.014 122.476 120.500 -0.064 0.000 2.445 546 R HA 0.530 4.868 4.340 -0.003 0.000 0.308 546 R C 1.447 177.717 176.300 -0.051 0.000 0.961 546 R CA -0.873 55.201 56.100 -0.043 0.000 0.862 546 R CB 1.762 32.042 30.300 -0.033 0.000 1.144 546 R HN 0.603 nan 8.270 nan 0.000 0.447 547 R N 1.916 122.390 120.500 -0.043 0.000 2.094 547 R HA -0.174 4.164 4.340 -0.003 0.000 0.239 547 R C 1.786 178.063 176.300 -0.039 0.000 1.137 547 R CA 2.420 58.493 56.100 -0.044 0.000 0.943 547 R CB -0.395 29.883 30.300 -0.037 0.000 0.850 547 R HN 0.860 nan 8.270 nan 0.000 0.433 548 G N -0.610 108.171 108.800 -0.032 0.000 2.411 548 G HA2 -0.066 3.892 3.960 -0.003 0.000 0.213 548 G HA3 -0.066 3.892 3.960 -0.003 0.000 0.213 548 G C 1.614 176.494 174.900 -0.034 0.000 1.166 548 G CA 0.675 45.758 45.100 -0.027 0.000 0.802 548 G HN 0.364 nan 8.290 nan 0.000 0.533 549 L N 0.189 121.387 121.223 -0.042 0.000 2.095 549 L HA 0.284 4.622 4.340 -0.003 0.000 0.204 549 L C 1.040 177.875 176.870 -0.059 0.000 1.080 549 L CA 1.812 56.621 54.840 -0.052 0.000 0.759 549 L CB -0.937 41.085 42.059 -0.061 0.000 0.914 549 L HN 0.167 nan 8.230 nan 0.000 0.439 550 D N -1.862 118.498 120.400 -0.068 0.000 2.414 550 D HA 0.563 5.201 4.640 -0.003 0.000 0.241 550 D C 0.553 176.806 176.300 -0.079 0.000 1.008 550 D CA 0.285 54.235 54.000 -0.084 0.000 1.001 550 D CB 1.167 41.901 40.800 -0.109 0.000 1.277 550 D HN 0.265 nan 8.370 nan 0.000 0.538 551 D N -0.763 119.584 120.400 -0.088 0.000 2.441 551 D HA 0.146 4.785 4.640 -0.003 0.000 0.210 551 D C 0.624 176.868 176.300 -0.094 0.000 1.102 551 D CA 0.038 53.992 54.000 -0.076 0.000 0.840 551 D CB 0.378 41.143 40.800 -0.058 0.000 0.990 551 D HN 0.365 nan 8.370 nan 0.000 0.505 552 R N -1.804 118.620 120.500 -0.126 0.000 2.643 552 R HA 0.610 4.948 4.340 -0.003 0.000 0.269 552 R C -0.461 175.731 176.300 -0.180 0.000 1.037 552 R CA -0.709 55.304 56.100 -0.143 0.000 0.894 552 R CB 1.394 31.612 30.300 -0.138 0.000 1.238 552 R HN 0.040 nan 8.270 nan 0.000 0.459 553 G N 2.989 111.688 108.800 -0.169 0.000 2.356 553 G HA2 0.526 4.484 3.960 -0.003 0.000 0.322 553 G HA3 0.526 4.484 3.960 -0.003 0.000 0.322 553 G C -0.288 174.503 174.900 -0.182 0.000 1.125 553 G CA -0.868 44.129 45.100 -0.171 0.000 0.885 553 G HN 0.443 nan 8.290 nan 0.000 0.467 554 I N 2.787 123.236 120.570 -0.201 0.000 2.330 554 I HA 0.276 4.444 4.170 -0.003 0.000 0.289 554 I C -0.189 175.875 176.117 -0.089 0.000 1.001 554 I CA -0.766 60.419 61.300 -0.190 0.000 1.193 554 I CB 0.996 38.807 38.000 -0.315 0.000 1.345 554 I HN 0.004 nan 8.210 nan 0.000 0.461 555 V N 7.513 127.441 119.914 0.023 0.000 2.483 555 V HA 0.540 4.658 4.120 -0.003 0.000 0.295 555 V C 0.127 176.366 176.094 0.241 0.000 1.035 555 V CA -0.542 61.836 62.300 0.131 0.000 0.896 555 V CB 2.541 34.547 31.823 0.305 0.000 0.986 555 V HN 0.491 nan 8.190 nan 0.000 0.447 556 I N 4.721 125.408 120.570 0.195 0.000 2.517 556 I HA 0.381 4.549 4.170 -0.003 0.000 0.280 556 I C -0.520 175.786 176.117 0.315 0.000 1.061 556 I CA -0.182 61.264 61.300 0.242 0.000 1.091 556 I CB 1.589 39.645 38.000 0.093 0.000 1.205 556 I HN 0.468 nan 8.210 nan 0.000 0.459 557 M N 6.164 126.020 119.600 0.426 0.000 2.146 557 M HA 0.454 4.932 4.480 -0.003 0.000 0.357 557 M C -0.365 176.162 176.300 0.379 0.000 1.261 557 M CA 0.028 55.596 55.300 0.446 0.000 1.106 557 M CB 1.233 34.082 32.600 0.416 0.000 1.612 557 M HN 0.430 nan 8.290 nan 0.000 0.470 558 M N 4.235 124.050 119.600 0.358 0.000 2.084 558 M HA 0.374 4.852 4.480 -0.003 0.000 0.351 558 M C -0.791 175.668 176.300 0.265 0.000 1.240 558 M CA -0.540 54.990 55.300 0.384 0.000 1.083 558 M CB 0.802 33.601 32.600 0.332 0.000 1.593 558 M HN 0.539 nan 8.290 nan 0.000 0.463 559 I N 2.154 122.845 120.570 0.202 0.000 2.648 559 I HA 0.323 4.491 4.170 -0.003 0.000 0.304 559 I C 0.043 176.179 176.117 0.031 0.000 1.009 559 I CA 0.088 61.449 61.300 0.101 0.000 1.114 559 I CB 1.811 39.850 38.000 0.065 0.000 1.293 559 I HN 0.612 nan 8.210 nan 0.000 0.449 560 D N 1.971 122.379 120.400 0.014 0.000 2.469 560 D HA 0.089 4.727 4.640 -0.003 0.000 0.240 560 D C 0.150 176.432 176.300 -0.030 0.000 1.087 560 D CA 0.580 54.568 54.000 -0.021 0.000 0.876 560 D CB 0.619 41.423 40.800 0.006 0.000 1.160 560 D HN 0.660 nan 8.370 nan 0.000 0.497 561 E N -0.904 119.286 120.200 -0.016 0.000 2.431 561 E HA 0.491 4.839 4.350 -0.003 0.000 0.240 561 E C -0.511 176.074 176.600 -0.025 0.000 0.867 561 E CA -0.703 55.686 56.400 -0.018 0.000 0.888 561 E CB 0.018 29.717 29.700 -0.001 0.000 1.739 561 E HN -0.102 nan 8.360 nan 0.000 0.413 562 K N 0.744 121.134 120.400 -0.015 0.000 2.174 562 K HA 0.601 4.919 4.320 -0.003 0.000 0.275 562 K C -0.110 176.502 176.600 0.019 0.000 1.015 562 K CA -0.353 55.926 56.287 -0.014 0.000 0.933 562 K CB 0.570 33.064 32.500 -0.010 0.000 1.025 562 K HN 0.571 nan 8.250 nan 0.000 0.463 563 M N 0.869 120.498 119.600 0.049 0.000 2.658 563 M HA 0.453 4.931 4.480 -0.003 0.000 0.295 563 M C -1.209 175.205 176.300 0.190 0.000 1.248 563 M CA -0.716 54.655 55.300 0.119 0.000 0.843 563 M CB 2.146 34.851 32.600 0.175 0.000 1.749 563 M HN 0.726 nan 8.290 nan 0.000 0.464 564 E N 1.723 122.012 120.200 0.149 0.000 2.212 564 E HA 0.345 4.693 4.350 -0.003 0.000 0.270 564 E C -2.199 174.419 176.600 0.031 0.000 0.956 564 E CA -1.679 54.790 56.400 0.115 0.000 0.825 564 E CB 1.516 31.234 29.700 0.030 0.000 1.167 564 E HN 0.403 nan 8.360 nan 0.000 0.400 565 P HA -0.114 nan 4.420 nan 0.000 0.234 565 P C 0.811 177.866 177.300 -0.408 0.000 1.162 565 P CA 1.307 64.153 63.100 -0.424 0.000 0.759 565 P CB 0.264 31.773 31.700 -0.318 0.000 0.813 566 Q N -0.939 118.727 119.800 -0.223 0.000 2.339 566 Q HA 0.068 4.406 4.340 -0.003 0.000 0.205 566 Q C 1.972 177.876 176.000 -0.160 0.000 0.925 566 Q CA 0.981 56.669 55.803 -0.193 0.000 0.898 566 Q CB -1.131 27.535 28.738 -0.120 0.000 1.013 566 Q HN 0.142 nan 8.270 nan 0.000 0.504 567 V N 0.334 120.182 119.914 -0.110 0.000 2.878 567 V HA 0.075 4.193 4.120 -0.003 0.000 0.250 567 V C 2.766 178.814 176.094 -0.077 0.000 1.075 567 V CA 1.190 63.448 62.300 -0.070 0.000 1.096 567 V CB -0.190 31.623 31.823 -0.016 0.000 0.724 567 V HN 0.672 nan 8.190 nan 0.000 0.467 568 A N 0.928 123.692 122.820 -0.094 0.000 1.841 568 A HA -0.240 4.078 4.320 -0.003 0.000 0.216 568 A C 2.220 179.741 177.584 -0.106 0.000 1.199 568 A CA 2.044 54.057 52.037 -0.040 0.000 0.621 568 A CB -0.459 18.425 19.000 -0.194 0.000 0.835 568 A HN 0.521 nan 8.150 nan 0.000 0.445 569 K N -0.586 119.615 120.400 -0.333 0.000 2.283 569 K HA -0.048 4.270 4.320 -0.003 0.000 0.202 569 K C 1.846 178.336 176.600 -0.184 0.000 1.048 569 K CA 0.788 56.892 56.287 -0.305 0.000 0.948 569 K CB -0.326 31.863 32.500 -0.518 0.000 0.742 569 K HN 0.482 nan 8.250 nan 0.000 0.458 570 G N 1.098 109.798 108.800 -0.166 0.000 2.534 570 G HA2 -0.183 3.775 3.960 -0.003 0.000 0.217 570 G HA3 -0.183 3.775 3.960 -0.003 0.000 0.217 570 G C 1.331 176.170 174.900 -0.102 0.000 1.128 570 G CA 0.274 45.304 45.100 -0.116 0.000 0.784 570 G HN 0.200 nan 8.290 nan 0.000 0.542 571 M N -0.345 119.172 119.600 -0.138 0.000 2.940 571 M HA 0.169 4.647 4.480 -0.003 0.000 0.248 571 M C 1.928 178.019 176.300 -0.347 0.000 1.379 571 M CA 0.632 55.814 55.300 -0.196 0.000 1.262 571 M CB 0.530 32.995 32.600 -0.225 0.000 1.201 571 M HN -0.038 nan 8.290 nan 0.000 0.553 572 V N 0.997 120.652 119.914 -0.432 0.000 3.380 572 V HA -0.033 4.085 4.120 -0.003 0.000 0.268 572 V C 1.128 177.069 176.094 -0.255 0.000 1.168 572 V CA 1.156 63.112 62.300 -0.574 0.000 1.156 572 V CB -0.822 30.732 31.823 -0.449 0.000 0.785 572 V HN 0.456 nan 8.190 nan 0.000 0.487 573 K N -0.034 120.291 120.400 -0.125 0.000 2.553 573 K HA 0.269 4.587 4.320 -0.003 0.000 0.205 573 K C 1.060 177.647 176.600 -0.023 0.000 1.168 573 K CA 0.035 56.295 56.287 -0.045 0.000 1.043 573 K CB 1.230 33.713 32.500 -0.028 0.000 0.967 573 K HN 0.414 nan 8.250 nan 0.000 0.585 574 G N 1.556 110.339 108.800 -0.028 0.000 2.562 574 G HA2 0.159 4.117 3.960 -0.003 0.000 0.233 574 G HA3 0.159 4.117 3.960 -0.003 0.000 0.233 574 G C 0.154 175.064 174.900 0.016 0.000 1.266 574 G CA -0.033 45.059 45.100 -0.013 0.000 0.852 574 G HN 0.303 nan 8.290 nan 0.000 0.581 575 Q N -0.590 119.213 119.800 0.006 0.000 2.318 575 Q HA 0.730 5.068 4.340 -0.003 0.000 0.222 575 Q C 0.731 176.742 176.000 0.018 0.000 1.003 575 Q CA -0.138 55.675 55.803 0.017 0.000 0.936 575 Q CB 0.577 29.317 28.738 0.003 0.000 1.204 575 Q HN 1.959 nan 8.270 nan 0.000 0.524 576 A N 1.155 123.988 122.820 0.023 0.000 2.425 576 A HA 0.444 4.762 4.320 -0.003 0.000 0.242 576 A C -0.340 177.239 177.584 -0.009 0.000 1.077 576 A CA -0.170 51.868 52.037 0.003 0.000 0.781 576 A CB 0.288 19.295 19.000 0.011 0.000 1.020 576 A HN 0.815 nan 8.150 nan 0.000 0.494 577 D N 0.536 120.919 120.400 -0.028 0.000 2.255 577 D HA 0.291 4.929 4.640 -0.003 0.000 0.249 577 D C 0.285 176.577 176.300 -0.012 0.000 1.078 577 D CA 0.052 54.040 54.000 -0.020 0.000 0.896 577 D CB 0.760 41.545 40.800 -0.026 0.000 1.194 577 D HN 0.440 nan 8.370 nan 0.000 0.429 578 R N 1.153 121.655 120.500 0.004 0.000 2.694 578 R HA 0.204 4.542 4.340 -0.003 0.000 0.268 578 R C 0.172 176.498 176.300 0.043 0.000 1.061 578 R CA -0.387 55.728 56.100 0.024 0.000 1.133 578 R CB 0.734 31.048 30.300 0.024 0.000 1.020 578 R HN 0.337 nan 8.270 nan 0.000 0.475 579 L N 3.846 125.116 121.223 0.078 0.000 2.328 579 L HA 0.147 4.485 4.340 -0.003 0.000 0.280 579 L C -0.943 176.060 176.870 0.221 0.000 1.111 579 L CA -0.268 54.639 54.840 0.112 0.000 0.909 579 L CB 0.180 42.285 42.059 0.076 0.000 1.277 579 L HN 0.490 nan 8.230 nan 0.000 0.433 580 D N 2.141 122.638 120.400 0.162 0.000 2.175 580 D HA 0.129 4.768 4.640 -0.003 0.000 0.248 580 D C -0.120 176.315 176.300 0.225 0.000 1.047 580 D CA -0.035 54.064 54.000 0.166 0.000 0.883 580 D CB 2.063 42.917 40.800 0.091 0.000 1.180 580 D HN 0.298 nan 8.370 nan 0.000 0.438 581 S N 0.626 116.489 115.700 0.270 0.000 2.533 581 S HA 0.334 4.802 4.470 -0.003 0.000 0.282 581 S C 0.321 175.114 174.600 0.322 0.000 1.304 581 S CA -0.504 57.906 58.200 0.349 0.000 1.063 581 S CB 0.451 63.879 63.200 0.381 0.000 0.881 581 S HN 0.452 nan 8.310 nan 0.000 0.493 582 A N 5.351 128.310 122.820 0.231 0.000 2.713 582 A HA 0.349 4.667 4.320 -0.003 0.000 0.296 582 A C 0.009 177.677 177.584 0.140 0.000 1.255 582 A CA -0.657 51.476 52.037 0.159 0.000 0.955 582 A CB -0.444 18.644 19.000 0.146 0.000 1.149 582 A HN 0.829 nan 8.150 nan 0.000 0.538 583 F N 3.573 123.477 119.950 -0.077 0.000 2.578 583 F HA 0.346 4.871 4.527 -0.003 0.000 0.376 583 F C 0.699 176.372 175.800 -0.212 0.000 1.085 583 F CA 0.650 58.558 58.000 -0.154 0.000 1.260 583 F CB 0.423 39.346 39.000 -0.129 0.000 1.095 583 F HN 0.590 nan 8.300 nan 0.000 0.573 584 H N 5.091 123.698 119.070 -0.771 0.000 3.037 584 H HA 0.394 4.948 4.556 -0.003 0.000 0.355 584 H C -1.595 173.345 175.328 -0.646 0.000 1.263 584 H CA -1.288 54.436 56.048 -0.541 0.000 1.129 584 H CB 0.708 30.285 29.762 -0.308 0.000 1.861 584 H HN 0.630 nan 8.280 nan 0.000 0.546 585 L N 1.048 122.102 121.223 -0.282 0.000 2.436 585 L HA 0.548 4.886 4.340 -0.003 0.000 0.265 585 L C 0.962 177.685 176.870 -0.246 0.000 1.168 585 L CA 0.078 54.756 54.840 -0.271 0.000 0.815 585 L CB 1.078 43.050 42.059 -0.146 0.000 1.109 585 L HN 0.874 nan 8.230 nan 0.000 0.462 586 G N -0.215 108.428 108.800 -0.261 0.000 2.659 586 G HA2 0.396 4.355 3.960 -0.003 0.000 0.296 586 G HA3 0.396 4.355 3.960 -0.003 0.000 0.296 586 G C -0.518 174.246 174.900 -0.227 0.000 1.369 586 G CA -0.350 44.605 45.100 -0.242 0.000 0.937 586 G HN 0.478 nan 8.290 nan 0.000 0.485 587 Y N 0.587 120.871 120.300 -0.026 0.000 2.181 587 Y HA -0.148 4.400 4.550 -0.003 0.000 0.288 587 Y C 2.827 178.707 175.900 -0.034 0.000 1.146 587 Y CA 1.601 59.675 58.100 -0.043 0.000 1.164 587 Y CB -0.077 38.337 38.460 -0.078 0.000 0.982 587 Y HN 0.600 nan 8.280 nan 0.000 0.515 588 N N 0.796 119.569 118.700 0.122 0.000 2.069 588 N HA -0.251 4.487 4.740 -0.003 0.000 0.191 588 N C 2.054 177.524 175.510 -0.067 0.000 1.031 588 N CA 1.924 54.996 53.050 0.036 0.000 0.852 588 N CB -0.294 38.216 38.487 0.038 0.000 1.018 588 N HN 0.477 nan 8.380 nan 0.000 0.423 589 M N 0.547 120.112 119.600 -0.058 0.000 2.086 589 M HA -0.143 4.335 4.480 -0.003 0.000 0.261 589 M C 2.017 178.287 176.300 -0.050 0.000 1.067 589 M CA 1.426 56.686 55.300 -0.067 0.000 1.116 589 M CB -0.188 32.404 32.600 -0.014 0.000 1.348 589 M HN 0.116 nan 8.290 nan 0.000 0.407 590 I N 0.658 121.217 120.570 -0.019 0.000 2.179 590 I HA -0.327 3.841 4.170 -0.003 0.000 0.242 590 I C 2.421 178.547 176.117 0.014 0.000 1.088 590 I CA 1.354 62.664 61.300 0.016 0.000 1.357 590 I CB -0.559 37.452 38.000 0.019 0.000 1.051 590 I HN 0.397 nan 8.210 nan 0.000 0.409 591 L N 0.434 121.668 121.223 0.017 0.000 2.042 591 L HA -0.250 4.089 4.340 -0.003 0.000 0.210 591 L C 2.396 179.238 176.870 -0.048 0.000 1.076 591 L CA 1.340 56.193 54.840 0.020 0.000 0.749 591 L CB -0.709 41.390 42.059 0.067 0.000 0.893 591 L HN 0.355 nan 8.230 nan 0.000 0.432 592 N N 0.050 118.650 118.700 -0.167 0.000 2.120 592 N HA -0.141 4.598 4.740 -0.003 0.000 0.188 592 N C 1.944 177.370 175.510 -0.139 0.000 1.024 592 N CA 1.240 54.106 53.050 -0.306 0.000 0.852 592 N CB -0.168 37.760 38.487 -0.931 0.000 1.003 592 N HN 0.312 nan 8.380 nan 0.000 0.424 593 L N 0.555 121.747 121.223 -0.051 0.000 2.131 593 L HA -0.075 4.263 4.340 -0.003 0.000 0.210 593 L C 2.422 179.320 176.870 0.047 0.000 1.092 593 L CA 0.780 55.666 54.840 0.075 0.000 0.759 593 L CB -0.254 41.884 42.059 0.132 0.000 0.903 593 L HN 0.158 nan 8.230 nan 0.000 0.435 594 M N -0.978 118.639 119.600 0.028 0.000 2.132 594 M HA -0.200 4.278 4.480 -0.003 0.000 0.263 594 M C 2.494 178.804 176.300 0.018 0.000 1.065 594 M CA 1.558 56.874 55.300 0.028 0.000 1.122 594 M CB -0.390 32.230 32.600 0.033 0.000 1.365 594 M HN 0.164 nan 8.290 nan 0.000 0.411 595 R N 0.474 120.978 120.500 0.007 0.000 2.073 595 R HA -0.034 4.304 4.340 -0.003 0.000 0.234 595 R C 0.301 176.609 176.300 0.014 0.000 1.134 595 R CA 0.776 56.880 56.100 0.006 0.000 0.952 595 R CB -0.085 30.212 30.300 -0.005 0.000 0.850 595 R HN 0.139 nan 8.270 nan 0.000 0.433 596 V N 1.792 121.722 119.914 0.026 0.000 2.715 596 V HA -0.047 4.071 4.120 -0.003 0.000 0.299 596 V C 1.286 177.381 176.094 0.001 0.000 1.054 596 V CA 0.215 62.533 62.300 0.030 0.000 1.077 596 V CB 1.519 33.384 31.823 0.071 0.000 0.972 596 V HN 0.394 nan 8.190 nan 0.000 0.484 597 E N 3.827 124.021 120.200 -0.010 0.000 2.046 597 E HA -0.068 4.280 4.350 -0.003 0.000 0.190 597 E C 2.058 178.625 176.600 -0.055 0.000 0.982 597 E CA 1.623 58.009 56.400 -0.024 0.000 0.800 597 E CB -0.523 29.166 29.700 -0.018 0.000 0.756 597 E HN 0.850 nan 8.360 nan 0.000 0.449 598 G N 0.750 109.500 108.800 -0.082 0.000 2.534 598 G HA2 0.055 4.013 3.960 -0.003 0.000 0.217 598 G HA3 0.055 4.013 3.960 -0.003 0.000 0.217 598 G C 0.887 175.628 174.900 -0.266 0.000 1.128 598 G CA 0.983 45.996 45.100 -0.146 0.000 0.784 598 G HN 0.415 nan 8.290 nan 0.000 0.542 599 I N -2.950 117.475 120.570 -0.241 0.000 3.322 599 I HA 0.837 5.005 4.170 -0.003 0.000 0.313 599 I C -0.550 175.508 176.117 -0.098 0.000 1.129 599 I CA -1.233 59.853 61.300 -0.356 0.000 0.963 599 I CB 2.340 40.082 38.000 -0.431 0.000 1.273 599 I HN -0.001 nan 8.210 nan 0.000 0.473 600 S N -0.108 115.604 115.700 0.019 0.000 2.615 600 S HA 0.565 5.033 4.470 -0.003 0.000 0.269 600 S C -2.678 172.040 174.600 0.197 0.000 1.161 600 S CA -1.013 57.251 58.200 0.107 0.000 0.817 600 S CB 1.610 64.867 63.200 0.095 0.000 1.131 600 S HN 0.483 nan 8.310 nan 0.000 0.467 601 P HA -0.042 nan 4.420 nan 0.000 0.215 601 P C 0.951 178.356 177.300 0.175 0.000 1.153 601 P CA 1.433 64.632 63.100 0.164 0.000 0.853 601 P CB -0.012 31.756 31.700 0.112 0.000 0.788 602 E N -1.435 118.858 120.200 0.154 0.000 2.110 602 E HA -0.174 4.174 4.350 -0.003 0.000 0.193 602 E C 1.709 178.408 176.600 0.165 0.000 0.988 602 E CA 0.873 57.355 56.400 0.136 0.000 0.804 602 E CB -1.134 28.635 29.700 0.115 0.000 0.745 602 E HN 0.251 nan 8.360 nan 0.000 0.458 603 F N 0.567 120.554 119.950 0.062 0.000 2.126 603 F HA -0.253 4.272 4.527 -0.003 0.000 0.299 603 F C 2.212 178.047 175.800 0.057 0.000 1.096 603 F CA 1.607 59.632 58.000 0.042 0.000 1.255 603 F CB -0.166 38.810 39.000 -0.040 0.000 0.997 603 F HN 0.041 nan 8.300 nan 0.000 0.479 604 M N 0.531 120.226 119.600 0.159 0.000 2.086 604 M HA -0.161 4.317 4.480 -0.003 0.000 0.261 604 M C 1.921 178.186 176.300 -0.058 0.000 1.067 604 M CA 1.847 57.205 55.300 0.097 0.000 1.116 604 M CB -0.728 32.058 32.600 0.310 0.000 1.348 604 M HN 0.285 nan 8.290 nan 0.000 0.407 605 L N -0.599 120.612 121.223 -0.020 0.000 2.083 605 L HA -0.211 4.127 4.340 -0.003 0.000 0.209 605 L C 2.255 179.030 176.870 -0.158 0.000 1.083 605 L CA 1.459 56.215 54.840 -0.139 0.000 0.752 605 L CB -0.854 41.206 42.059 0.001 0.000 0.899 605 L HN 0.395 nan 8.230 nan 0.000 0.433 606 E N -1.028 119.126 120.200 -0.077 0.000 2.208 606 E HA -0.145 4.203 4.350 -0.003 0.000 0.193 606 E C 1.652 178.178 176.600 -0.123 0.000 0.988 606 E CA 0.694 57.050 56.400 -0.074 0.000 0.828 606 E CB 0.054 29.747 29.700 -0.012 0.000 0.763 606 E HN 0.639 nan 8.360 nan 0.000 0.478 607 H N 0.156 119.047 119.070 -0.297 0.000 2.551 607 H HA 0.098 4.652 4.556 -0.003 0.000 0.271 607 H C 0.836 176.200 175.328 0.059 0.000 0.984 607 H CA -0.098 55.829 56.048 -0.201 0.000 1.164 607 H CB 0.520 29.979 29.762 -0.505 0.000 1.437 607 H HN 0.026 nan 8.280 nan 0.000 0.550 608 S N 0.159 115.813 115.700 -0.076 0.000 2.579 608 S HA -0.077 4.391 4.470 -0.003 0.000 0.275 608 S C 0.982 175.389 174.600 -0.323 0.000 1.345 608 S CA -0.657 57.388 58.200 -0.257 0.000 1.031 608 S CB 0.758 63.400 63.200 -0.931 0.000 0.892 608 S HN 0.213 nan 8.310 nan 0.000 0.529 609 F N 1.977 121.371 119.950 -0.928 0.000 2.293 609 F HA 0.041 4.566 4.527 -0.003 0.000 0.300 609 F C 1.524 177.005 175.800 -0.531 0.000 1.086 609 F CA 0.281 57.438 58.000 -1.403 0.000 1.375 609 F CB -0.648 37.329 39.000 -1.704 0.000 1.045 609 F HN 0.763 nan 8.300 nan 0.000 0.516 610 F N 1.070 120.735 119.950 -0.475 0.000 2.095 610 F HA -0.261 4.264 4.527 -0.003 0.000 0.298 610 F C 2.674 178.253 175.800 -0.367 0.000 1.104 610 F CA 2.251 60.031 58.000 -0.366 0.000 1.232 610 F CB -0.807 38.074 39.000 -0.198 0.000 0.987 610 F HN 0.079 nan 8.300 nan 0.000 0.475 611 Q N -0.242 119.433 119.800 -0.207 0.000 2.124 611 Q HA -0.234 4.104 4.340 -0.003 0.000 0.202 611 Q C 2.071 177.910 176.000 -0.268 0.000 0.977 611 Q CA 1.993 57.664 55.803 -0.220 0.000 0.850 611 Q CB -0.951 27.697 28.738 -0.150 0.000 0.901 611 Q HN 0.497 nan 8.270 nan 0.000 0.429 612 F N 0.556 120.246 119.950 -0.433 0.000 2.146 612 F HA -0.134 4.392 4.527 -0.003 0.000 0.298 612 F C 2.006 177.518 175.800 -0.481 0.000 1.096 612 F CA 1.696 59.462 58.000 -0.391 0.000 1.275 612 F CB -0.086 38.704 39.000 -0.350 0.000 1.008 612 F HN 0.153 nan 8.300 nan 0.000 0.480 613 Q N -0.122 119.298 119.800 -0.632 0.000 2.119 613 Q HA -0.204 4.134 4.340 -0.003 0.000 0.201 613 Q C 1.894 177.558 176.000 -0.561 0.000 0.972 613 Q CA 1.460 56.860 55.803 -0.672 0.000 0.847 613 Q CB -0.306 27.962 28.738 -0.782 0.000 0.903 613 Q HN 0.389 nan 8.270 nan 0.000 0.433 614 N N -0.053 118.317 118.700 -0.549 0.000 2.058 614 N HA -0.141 4.597 4.740 -0.003 0.000 0.191 614 N C 1.732 177.017 175.510 -0.375 0.000 1.037 614 N CA 1.092 53.880 53.050 -0.437 0.000 0.848 614 N CB -0.369 37.879 38.487 -0.398 0.000 1.021 614 N HN -0.003 nan 8.380 nan 0.000 0.422 615 V N 1.267 120.940 119.914 -0.400 0.000 2.332 615 V HA -0.161 3.957 4.120 -0.003 0.000 0.248 615 V C 2.157 178.007 176.094 -0.407 0.000 1.055 615 V CA 1.165 63.244 62.300 -0.368 0.000 1.038 615 V CB -0.393 31.207 31.823 -0.370 0.000 0.651 615 V HN 0.373 nan 8.190 nan 0.000 0.450 616 I N 0.571 120.807 120.570 -0.556 0.000 2.830 616 I HA -0.162 4.006 4.170 -0.003 0.000 0.263 616 I C 2.320 178.249 176.117 -0.314 0.000 1.230 616 I CA 1.412 62.422 61.300 -0.485 0.000 1.480 616 I CB 0.047 37.685 38.000 -0.603 0.000 1.095 616 I HN 0.531 nan 8.210 nan 0.000 0.455 617 S N -1.059 114.461 115.700 -0.299 0.000 2.503 617 S HA -0.003 4.465 4.470 -0.003 0.000 0.217 617 S C 1.786 176.273 174.600 -0.189 0.000 0.999 617 S CA 0.355 58.419 58.200 -0.227 0.000 0.914 617 S CB -0.230 62.830 63.200 -0.233 0.000 0.782 617 S HN 0.234 nan 8.310 nan 0.000 0.520 618 V N 3.446 123.242 119.914 -0.197 0.000 2.252 618 V HA -0.092 4.026 4.120 -0.003 0.000 0.249 618 V C -0.419 175.594 176.094 -0.135 0.000 1.056 618 V CA 2.212 64.416 62.300 -0.160 0.000 1.022 618 V CB -1.677 30.052 31.823 -0.158 0.000 0.641 618 V HN 0.398 nan 8.190 nan 0.000 0.445 619 P HA -0.083 nan 4.420 nan 0.000 0.218 619 P C 1.837 179.075 177.300 -0.102 0.000 1.149 619 P CA 1.126 64.160 63.100 -0.110 0.000 0.817 619 P CB -0.097 31.537 31.700 -0.110 0.000 0.785 620 V N -0.941 118.904 119.914 -0.114 0.000 2.343 620 V HA -0.237 3.881 4.120 -0.003 0.000 0.247 620 V C 2.387 178.423 176.094 -0.096 0.000 1.051 620 V CA 1.853 64.092 62.300 -0.102 0.000 1.036 620 V CB -1.170 30.586 31.823 -0.111 0.000 0.654 620 V HN 0.110 nan 8.190 nan 0.000 0.451 621 M N -0.639 118.898 119.600 -0.106 0.000 2.296 621 M HA -0.143 4.335 4.480 -0.003 0.000 0.265 621 M C 2.147 178.392 176.300 -0.093 0.000 1.064 621 M CA 1.570 56.810 55.300 -0.100 0.000 1.109 621 M CB -0.369 32.166 32.600 -0.109 0.000 1.396 621 M HN 0.391 nan 8.290 nan 0.000 0.430 622 E N 0.221 120.366 120.200 -0.092 0.000 2.158 622 E HA -0.168 4.180 4.350 -0.003 0.000 0.191 622 E C 1.927 178.483 176.600 -0.074 0.000 0.982 622 E CA 0.728 57.078 56.400 -0.084 0.000 0.823 622 E CB -0.014 29.636 29.700 -0.082 0.000 0.766 622 E HN 0.387 nan 8.360 nan 0.000 0.468 623 K N 1.678 122.036 120.400 -0.071 0.000 2.147 623 K HA -0.197 4.121 4.320 -0.003 0.000 0.205 623 K C 2.014 178.580 176.600 -0.057 0.000 1.049 623 K CA 1.285 57.536 56.287 -0.060 0.000 0.936 623 K CB 0.068 32.533 32.500 -0.058 0.000 0.722 623 K HN -0.130 nan 8.250 nan 0.000 0.446 624 K N 0.142 120.504 120.400 -0.064 0.000 2.400 624 K HA -0.024 4.294 4.320 -0.003 0.000 0.194 624 K C 1.795 178.355 176.600 -0.066 0.000 1.033 624 K CA 0.138 56.389 56.287 -0.061 0.000 1.021 624 K CB 0.171 32.633 32.500 -0.064 0.000 0.808 624 K HN 0.075 nan 8.250 nan 0.000 0.505 625 L N 0.340 121.518 121.223 -0.075 0.000 2.127 625 L HA 0.207 4.545 4.340 -0.003 0.000 0.203 625 L C 1.958 178.782 176.870 -0.077 0.000 1.080 625 L CA 1.580 56.367 54.840 -0.088 0.000 0.768 625 L CB -0.442 41.557 42.059 -0.100 0.000 0.924 625 L HN 0.136 nan 8.230 nan 0.000 0.444 626 A N -1.245 121.537 122.820 -0.064 0.000 2.168 626 A HA -0.153 4.165 4.320 -0.003 0.000 0.215 626 A C 2.207 179.770 177.584 -0.035 0.000 1.152 626 A CA 1.381 53.389 52.037 -0.049 0.000 0.716 626 A CB -0.527 18.447 19.000 -0.044 0.000 0.794 626 A HN 0.610 nan 8.150 nan 0.000 0.465 627 E N -0.336 119.842 120.200 -0.038 0.000 2.166 627 E HA 0.044 4.392 4.350 -0.003 0.000 0.192 627 E C 1.677 178.266 176.600 -0.018 0.000 0.967 627 E CA 0.192 56.576 56.400 -0.027 0.000 0.840 627 E CB -0.064 29.617 29.700 -0.032 0.000 0.795 627 E HN 0.593 nan 8.360 nan 0.000 0.470 628 L N 0.901 122.107 121.223 -0.029 0.000 2.217 628 L HA -0.046 4.292 4.340 -0.003 0.000 0.211 628 L C 2.617 179.495 176.870 0.014 0.000 1.107 628 L CA 0.862 55.692 54.840 -0.017 0.000 0.783 628 L CB -0.181 41.847 42.059 -0.052 0.000 0.919 628 L HN 0.049 nan 8.230 nan 0.000 0.442 629 K N 0.931 121.322 120.400 -0.015 0.000 2.296 629 K HA -0.123 4.195 4.320 -0.003 0.000 0.200 629 K C 2.356 179.002 176.600 0.077 0.000 1.048 629 K CA 1.086 57.377 56.287 0.007 0.000 0.966 629 K CB 0.156 32.624 32.500 -0.053 0.000 0.754 629 K HN 0.187 nan 8.250 nan 0.000 0.466 630 K N 0.871 121.297 120.400 0.044 0.000 2.076 630 K HA -0.130 4.188 4.320 -0.003 0.000 0.204 630 K C 1.576 178.205 176.600 0.049 0.000 1.051 630 K CA 1.722 58.033 56.287 0.039 0.000 0.949 630 K CB -0.879 31.629 32.500 0.013 0.000 0.726 630 K HN 0.345 nan 8.250 nan 0.000 0.443 631 D N -1.138 119.292 120.400 0.051 0.000 2.144 631 D HA -0.069 4.569 4.640 -0.003 0.000 0.200 631 D C 1.654 177.987 176.300 0.056 0.000 0.978 631 D CA 1.139 55.162 54.000 0.038 0.000 0.833 631 D CB -0.107 40.711 40.800 0.030 0.000 0.961 631 D HN 0.428 nan 8.370 nan 0.000 0.470 632 F N 1.113 121.038 119.950 -0.042 0.000 2.075 632 F HA -0.132 4.393 4.527 -0.003 0.000 0.297 632 F C 1.615 177.395 175.800 -0.034 0.000 1.113 632 F CA 1.385 59.358 58.000 -0.044 0.000 1.218 632 F CB -0.130 38.843 39.000 -0.045 0.000 0.984 632 F HN -0.110 nan 8.300 nan 0.000 0.472 633 D N -0.121 120.394 120.400 0.191 0.000 2.371 633 D HA -0.011 4.627 4.640 -0.003 0.000 0.221 633 D C 2.268 178.557 176.300 -0.019 0.000 0.986 633 D CA 1.015 55.066 54.000 0.085 0.000 0.899 633 D CB -0.645 40.229 40.800 0.124 0.000 0.902 633 D HN 0.472 nan 8.370 nan 0.000 0.530 634 G N 0.460 109.241 108.800 -0.033 0.000 2.426 634 G HA2 -0.034 3.924 3.960 -0.003 0.000 0.214 634 G HA3 -0.034 3.924 3.960 -0.003 0.000 0.214 634 G C 0.841 175.693 174.900 -0.080 0.000 1.156 634 G CA -0.267 44.807 45.100 -0.043 0.000 0.802 634 G HN 0.253 nan 8.290 nan 0.000 0.534 635 I N 2.589 123.077 120.570 -0.137 0.000 2.460 635 I HA 0.308 4.476 4.170 -0.003 0.000 0.297 635 I C 0.667 176.687 176.117 -0.162 0.000 1.139 635 I CA -0.290 60.917 61.300 -0.156 0.000 1.340 635 I CB 0.017 37.888 38.000 -0.217 0.000 1.444 635 I HN 0.229 nan 8.210 nan 0.000 0.557 636 E N 6.538 126.680 120.200 -0.098 0.000 2.194 636 E HA 0.411 4.759 4.350 -0.003 0.000 0.284 636 E C -0.459 176.106 176.600 -0.059 0.000 1.035 636 E CA -0.506 55.849 56.400 -0.075 0.000 0.836 636 E CB 1.363 31.035 29.700 -0.047 0.000 1.070 636 E HN 0.426 nan 8.360 nan 0.000 0.401 637 V N 3.038 122.923 119.914 -0.049 0.000 2.320 637 V HA 0.535 4.653 4.120 -0.003 0.000 0.265 637 V C 0.893 176.978 176.094 -0.016 0.000 1.048 637 V CA -0.100 62.188 62.300 -0.019 0.000 0.865 637 V CB 0.166 32.004 31.823 0.026 0.000 1.043 637 V HN 0.985 nan 8.190 nan 0.000 0.474 638 E N 2.313 122.502 120.200 -0.018 0.000 2.415 638 E HA 0.395 4.744 4.350 -0.003 0.000 0.262 638 E C 0.931 177.518 176.600 -0.022 0.000 1.038 638 E CA 0.617 57.005 56.400 -0.018 0.000 0.921 638 E CB -0.092 29.598 29.700 -0.018 0.000 0.950 638 E HN 1.721 nan 8.360 nan 0.000 0.438 639 D N -1.226 119.159 120.400 -0.025 0.000 3.097 639 D HA 0.246 4.884 4.640 -0.003 0.000 0.209 639 D C 1.146 177.422 176.300 -0.041 0.000 1.054 639 D CA 2.044 56.024 54.000 -0.034 0.000 0.974 639 D CB -2.492 38.283 40.800 -0.042 0.000 1.073 639 D HN 2.420 nan 8.370 nan 0.000 0.437 640 E N -2.436 117.746 120.200 -0.030 0.000 3.500 640 E HA 0.110 4.458 4.350 -0.003 0.000 0.337 640 E C 1.752 178.320 176.600 -0.055 0.000 1.533 640 E CA 3.446 59.829 56.400 -0.028 0.000 1.949 640 E CB -1.903 27.785 29.700 -0.020 0.000 1.853 640 E HN 2.537 nan 8.360 nan 0.000 0.459 641 E N 0.802 120.971 120.200 -0.052 0.000 2.474 641 E HA 0.270 4.619 4.350 -0.003 0.000 0.195 641 E C 1.705 178.249 176.600 -0.094 0.000 1.039 641 E CA 1.052 57.403 56.400 -0.082 0.000 0.881 641 E CB -0.497 29.183 29.700 -0.033 0.000 0.970 641 E HN 0.563 nan 8.360 nan 0.000 0.486 642 N N -0.329 118.332 118.700 -0.065 0.000 2.188 642 N HA -0.096 4.642 4.740 -0.003 0.000 0.184 642 N C 1.801 177.299 175.510 -0.019 0.000 1.018 642 N CA 1.320 54.355 53.050 -0.025 0.000 0.858 642 N CB 0.174 38.656 38.487 -0.010 0.000 0.989 642 N HN 0.299 nan 8.380 nan 0.000 0.426 643 V N 0.845 120.692 119.914 -0.111 0.000 2.548 643 V HA -0.133 3.985 4.120 -0.003 0.000 0.249 643 V C 2.299 178.188 176.094 -0.341 0.000 1.055 643 V CA 2.218 64.439 62.300 -0.133 0.000 1.065 643 V CB -0.554 31.170 31.823 -0.166 0.000 0.681 643 V HN 0.383 nan 8.190 nan 0.000 0.462 644 K N -0.127 119.872 120.400 -0.667 0.000 2.025 644 K HA -0.201 4.117 4.320 -0.003 0.000 0.207 644 K C 2.054 178.531 176.600 -0.205 0.000 1.049 644 K CA 1.873 57.647 56.287 -0.855 0.000 0.933 644 K CB -0.961 31.171 32.500 -0.613 0.000 0.714 644 K HN 0.746 nan 8.250 nan 0.000 0.438 645 E N -1.471 118.671 120.200 -0.096 0.000 2.118 645 E HA -0.199 4.149 4.350 -0.003 0.000 0.195 645 E C 1.927 178.559 176.600 0.054 0.000 0.992 645 E CA 1.306 57.706 56.400 -0.001 0.000 0.804 645 E CB -0.229 29.476 29.700 0.008 0.000 0.741 645 E HN 0.705 nan 8.360 nan 0.000 0.458 646 Y N -0.018 120.270 120.300 -0.020 0.000 2.263 646 Y HA -0.193 4.355 4.550 -0.003 0.000 0.292 646 Y C 2.380 178.359 175.900 0.132 0.000 1.130 646 Y CA 1.927 60.059 58.100 0.052 0.000 1.179 646 Y CB -0.068 38.442 38.460 0.084 0.000 0.998 646 Y HN 0.205 nan 8.280 nan 0.000 0.532 647 H N 0.406 119.590 119.070 0.189 0.000 2.357 647 H HA -0.128 4.426 4.556 -0.003 0.000 0.301 647 H C 1.712 177.066 175.328 0.044 0.000 1.082 647 H CA 2.026 58.160 56.048 0.144 0.000 1.342 647 H CB 0.168 29.901 29.762 -0.049 0.000 1.389 647 H HN 0.503 nan 8.280 nan 0.000 0.511 648 E N 0.198 120.465 120.200 0.111 0.000 2.058 648 E HA -0.163 4.185 4.350 -0.003 0.000 0.194 648 E C 2.392 178.974 176.600 -0.030 0.000 0.997 648 E CA 1.068 57.496 56.400 0.047 0.000 0.801 648 E CB 0.150 29.885 29.700 0.059 0.000 0.746 648 E HN 0.382 nan 8.360 nan 0.000 0.450 649 I N 1.626 122.160 120.570 -0.059 0.000 2.127 649 I HA -0.238 3.930 4.170 -0.003 0.000 0.241 649 I C 2.282 178.331 176.117 -0.113 0.000 1.075 649 I CA 1.386 62.628 61.300 -0.098 0.000 1.334 649 I CB -1.219 36.675 38.000 -0.175 0.000 1.040 649 I HN 0.115 nan 8.210 nan 0.000 0.405 650 E N 0.597 120.706 120.200 -0.153 0.000 2.130 650 E HA -0.229 4.119 4.350 -0.003 0.000 0.196 650 E C 2.133 178.671 176.600 -0.104 0.000 0.998 650 E CA 1.033 57.356 56.400 -0.127 0.000 0.806 650 E CB -0.198 29.453 29.700 -0.081 0.000 0.738 650 E HN 0.552 nan 8.360 nan 0.000 0.459 651 Q N 0.160 119.879 119.800 -0.135 0.000 2.016 651 Q HA -0.057 4.281 4.340 -0.003 0.000 0.200 651 Q C 2.260 178.208 176.000 -0.086 0.000 0.978 651 Q CA 1.372 57.106 55.803 -0.114 0.000 0.833 651 Q CB -0.628 28.040 28.738 -0.116 0.000 0.895 651 Q HN 0.267 nan 8.270 nan 0.000 0.427 652 A N 1.099 123.878 122.820 -0.068 0.000 1.917 652 A HA -0.185 4.133 4.320 -0.003 0.000 0.219 652 A C 2.183 179.763 177.584 -0.006 0.000 1.182 652 A CA 1.449 53.446 52.037 -0.067 0.000 0.633 652 A CB -0.783 18.232 19.000 0.025 0.000 0.819 652 A HN 0.350 nan 8.150 nan 0.000 0.448 653 I N -1.042 119.552 120.570 0.041 0.000 2.315 653 I HA -0.208 3.960 4.170 -0.003 0.000 0.248 653 I C 2.494 178.637 176.117 0.044 0.000 1.117 653 I CA 1.662 63.015 61.300 0.089 0.000 1.404 653 I CB -0.273 37.732 38.000 0.008 0.000 1.071 653 I HN 0.341 nan 8.210 nan 0.000 0.419 654 K N 1.193 121.582 120.400 -0.018 0.000 2.211 654 K HA -0.100 4.218 4.320 -0.003 0.000 0.203 654 K C 2.080 178.657 176.600 -0.039 0.000 1.050 654 K CA 1.218 57.491 56.287 -0.023 0.000 0.945 654 K CB -0.160 32.319 32.500 -0.034 0.000 0.732 654 K HN 0.367 nan 8.250 nan 0.000 0.451 655 G N -0.093 108.644 108.800 -0.105 0.000 2.414 655 G HA2 -0.228 3.730 3.960 -0.003 0.000 0.215 655 G HA3 -0.228 3.730 3.960 -0.003 0.000 0.215 655 G C 1.055 175.864 174.900 -0.152 0.000 1.188 655 G CA 0.604 45.597 45.100 -0.179 0.000 0.783 655 G HN 0.247 nan 8.290 nan 0.000 0.537 656 Y N 1.071 121.356 120.300 -0.025 0.000 2.224 656 Y HA -0.017 4.531 4.550 -0.003 0.000 0.289 656 Y C 3.000 178.884 175.900 -0.026 0.000 1.146 656 Y CA 0.996 59.076 58.100 -0.033 0.000 1.182 656 Y CB -0.163 38.265 38.460 -0.054 0.000 0.983 656 Y HN -0.005 nan 8.280 nan 0.000 0.524 657 R N 0.302 120.874 120.500 0.121 0.000 2.159 657 R HA -0.159 4.179 4.340 -0.003 0.000 0.237 657 R C 1.888 178.227 176.300 0.065 0.000 1.131 657 R CA 1.002 57.145 56.100 0.072 0.000 0.982 657 R CB -0.247 30.079 30.300 0.044 0.000 0.868 657 R HN 0.429 nan 8.270 nan 0.000 0.453 658 E N 0.744 120.973 120.200 0.048 0.000 2.072 658 E HA -0.117 4.231 4.350 -0.003 0.000 0.190 658 E C 1.374 178.013 176.600 0.064 0.000 0.982 658 E CA 0.915 57.340 56.400 0.042 0.000 0.803 658 E CB 0.023 29.731 29.700 0.014 0.000 0.755 658 E HN 0.233 nan 8.360 nan 0.000 0.453 659 D N 0.290 120.736 120.400 0.075 0.000 2.123 659 D HA -0.138 4.500 4.640 -0.003 0.000 0.196 659 D C 2.093 178.479 176.300 0.143 0.000 0.992 659 D CA 0.750 54.811 54.000 0.102 0.000 0.833 659 D CB -0.329 40.548 40.800 0.128 0.000 0.954 659 D HN 0.031 nan 8.370 nan 0.000 0.455 660 V N 0.709 120.713 119.914 0.150 0.000 2.343 660 V HA -0.222 3.896 4.120 -0.003 0.000 0.247 660 V C 2.555 178.775 176.094 0.210 0.000 1.051 660 V CA 1.544 63.988 62.300 0.240 0.000 1.036 660 V CB -0.423 31.497 31.823 0.162 0.000 0.654 660 V HN 0.149 nan 8.190 nan 0.000 0.451 661 R N 0.262 120.840 120.500 0.130 0.000 2.091 661 R HA -0.243 4.095 4.340 -0.003 0.000 0.238 661 R C 2.533 178.886 176.300 0.088 0.000 1.136 661 R CA 2.108 58.265 56.100 0.095 0.000 0.959 661 R CB -0.259 30.080 30.300 0.066 0.000 0.856 661 R HN 0.823 nan 8.270 nan 0.000 0.437 662 Q N -0.570 119.284 119.800 0.090 0.000 2.119 662 Q HA -0.087 4.251 4.340 -0.003 0.000 0.201 662 Q C 1.819 177.875 176.000 0.093 0.000 0.972 662 Q CA 1.592 57.445 55.803 0.083 0.000 0.847 662 Q CB -0.147 28.635 28.738 0.073 0.000 0.903 662 Q HN 0.196 nan 8.270 nan 0.000 0.433 663 V N 0.977 120.951 119.914 0.100 0.000 2.488 663 V HA -0.151 3.967 4.120 -0.003 0.000 0.246 663 V C 2.307 178.403 176.094 0.002 0.000 1.046 663 V CA 1.119 63.449 62.300 0.050 0.000 1.053 663 V CB 0.083 31.961 31.823 0.090 0.000 0.679 663 V HN 0.239 nan 8.190 nan 0.000 0.458 664 V N 1.000 120.933 119.914 0.032 0.000 2.626 664 V HA -0.166 3.952 4.120 -0.003 0.000 0.252 664 V C 2.477 178.582 176.094 0.019 0.000 1.067 664 V CA 2.249 64.549 62.300 -0.000 0.000 1.081 664 V CB -0.821 31.033 31.823 0.052 0.000 0.686 664 V HN 0.813 nan 8.190 nan 0.000 0.468 665 T N -3.577 111.005 114.554 0.048 0.000 3.060 665 T HA 0.061 4.409 4.350 -0.003 0.000 0.249 665 T C 0.762 175.487 174.700 0.042 0.000 1.079 665 T CA -0.139 61.983 62.100 0.037 0.000 1.013 665 T CB -0.429 68.460 68.868 0.035 0.000 0.975 665 T HN 0.539 nan 8.240 nan 0.000 0.518 666 H N 3.043 122.100 119.070 -0.020 0.000 2.972 666 H HA 0.176 4.730 4.556 -0.003 0.000 0.343 666 H C -1.542 173.770 175.328 -0.027 0.000 1.054 666 H CA -0.986 55.049 56.048 -0.021 0.000 1.412 666 H CB 0.699 30.445 29.762 -0.026 0.000 1.385 666 H HN -0.118 nan 8.280 nan 0.000 0.600 667 P HA -0.325 nan 4.420 nan 0.000 0.216 667 P C 1.145 178.369 177.300 -0.126 0.000 1.167 667 P CA 2.727 65.638 63.100 -0.314 0.000 0.914 667 P CB -0.212 31.238 31.700 -0.416 0.000 0.793 668 A N -0.678 122.131 122.820 -0.018 0.000 1.958 668 A HA -0.263 4.055 4.320 -0.003 0.000 0.221 668 A C 1.952 179.555 177.584 0.032 0.000 1.178 668 A CA 2.302 54.383 52.037 0.074 0.000 0.642 668 A CB -1.222 17.886 19.000 0.180 0.000 0.816 668 A HN 0.234 nan 8.150 nan 0.000 0.453 669 N N -0.894 117.828 118.700 0.036 0.000 2.356 669 N HA 0.199 4.937 4.740 -0.003 0.000 0.178 669 N C 1.672 177.169 175.510 -0.021 0.000 1.075 669 N CA 0.956 53.997 53.050 -0.014 0.000 0.889 669 N CB -0.224 38.235 38.487 -0.048 0.000 0.999 669 N HN 0.460 nan 8.380 nan 0.000 0.464 670 A N 2.108 124.916 122.820 -0.021 0.000 1.826 670 A HA 0.276 4.594 4.320 -0.003 0.000 0.214 670 A C 1.713 179.282 177.584 -0.024 0.000 1.212 670 A CA 1.193 53.215 52.037 -0.025 0.000 0.605 670 A CB -1.243 17.735 19.000 -0.037 0.000 0.861 670 A HN 0.206 nan 8.150 nan 0.000 0.447 811 V N 0.391 120.391 119.914 0.143 0.000 2.261 811 V HA -0.180 3.938 4.120 -0.003 0.000 0.246 811 V C 2.092 178.218 176.094 0.052 0.000 1.047 811 V CA 2.483 64.850 62.300 0.112 0.000 1.015 811 V CB -0.766 31.136 31.823 0.132 0.000 0.642 811 V HN 0.367 nan 8.190 nan 0.000 0.446 812 K N 0.302 120.729 120.400 0.045 0.000 2.228 812 K HA -0.033 4.285 4.320 -0.003 0.000 0.202 812 K C 1.948 178.558 176.600 0.017 0.000 1.051 812 K CA 1.427 57.730 56.287 0.027 0.000 0.960 812 K CB -0.375 32.139 32.500 0.023 0.000 0.743 812 K HN 0.651 nan 8.250 nan 0.000 0.458 813 N N 0.828 119.539 118.700 0.017 0.000 2.322 813 N HA 0.064 4.802 4.740 -0.003 0.000 0.181 813 N C 1.429 176.939 175.510 0.001 0.000 1.088 813 N CA 0.382 53.438 53.050 0.009 0.000 0.885 813 N CB -0.121 38.372 38.487 0.011 0.000 1.013 813 N HN 0.096 nan 8.380 nan 0.000 0.472 814 M N -1.679 117.919 119.600 -0.004 0.000 2.340 814 M HA 0.341 4.819 4.480 -0.003 0.000 0.345 814 M C -0.195 176.085 176.300 -0.033 0.000 1.008 814 M CA 0.003 55.289 55.300 -0.022 0.000 0.987 814 M CB 0.435 33.014 32.600 -0.035 0.000 1.598 814 M HN 0.035 nan 8.290 nan 0.000 0.569 815 K N 1.560 121.950 120.400 -0.017 0.000 3.130 815 K HA -0.135 4.183 4.320 -0.003 0.000 0.282 815 K C -0.395 176.182 176.600 -0.037 0.000 1.145 815 K CA 0.656 56.934 56.287 -0.015 0.000 0.831 815 K CB -1.880 30.611 32.500 -0.014 0.000 1.226 815 K HN 0.521 nan 8.250 nan 0.000 0.478 816 I N 1.797 122.319 120.570 -0.080 0.000 2.471 816 I HA -0.051 4.117 4.170 -0.003 0.000 0.294 816 I C 1.003 177.096 176.117 -0.041 0.000 1.123 816 I CA 0.885 62.077 61.300 -0.180 0.000 1.336 816 I CB 0.109 37.815 38.000 -0.489 0.000 1.430 816 I HN 0.158 nan 8.210 nan 0.000 0.533 817 E N 3.245 123.448 120.200 0.005 0.000 2.810 817 E HA 0.049 4.397 4.350 -0.003 0.000 0.214 817 E C -0.167 176.486 176.600 0.089 0.000 0.980 817 E CA -0.310 56.140 56.400 0.084 0.000 1.159 817 E CB 0.539 30.267 29.700 0.047 0.000 1.047 817 E HN 0.569 nan 8.360 nan 0.000 0.484 818 D N 1.314 121.763 120.400 0.081 0.000 2.506 818 D HA -0.086 4.552 4.640 -0.003 0.000 0.234 818 D C 1.280 177.646 176.300 0.109 0.000 1.143 818 D CA 0.932 54.978 54.000 0.077 0.000 0.871 818 D CB 1.086 41.922 40.800 0.060 0.000 1.190 818 D HN 0.320 nan 8.370 nan 0.000 0.459 819 E N 3.523 123.760 120.200 0.062 0.000 2.118 819 E HA -0.231 4.117 4.350 -0.003 0.000 0.195 819 E C 1.407 178.033 176.600 0.043 0.000 0.992 819 E CA 1.798 58.224 56.400 0.043 0.000 0.804 819 E CB -0.407 29.306 29.700 0.022 0.000 0.741 819 E HN 0.603 nan 8.360 nan 0.000 0.458 820 D N -1.035 119.400 120.400 0.060 0.000 2.149 820 D HA -0.034 4.604 4.640 -0.003 0.000 0.201 820 D C 1.697 178.044 176.300 0.079 0.000 0.972 820 D CA 0.951 54.983 54.000 0.054 0.000 0.835 820 D CB -0.417 40.416 40.800 0.055 0.000 0.966 820 D HN 0.498 nan 8.370 nan 0.000 0.476 821 F N 1.105 121.044 119.950 -0.019 0.000 2.325 821 F HA 0.036 4.561 4.527 -0.003 0.000 0.299 821 F C 1.949 177.734 175.800 -0.025 0.000 1.090 821 F CA 0.692 58.681 58.000 -0.018 0.000 1.392 821 F CB -0.001 38.990 39.000 -0.014 0.000 1.053 821 F HN -0.148 nan 8.300 nan 0.000 0.521 822 L N -0.119 121.101 121.223 -0.005 0.000 2.131 822 L HA -0.116 4.222 4.340 -0.003 0.000 0.206 822 L C 2.554 179.338 176.870 -0.145 0.000 1.087 822 L CA 0.759 55.543 54.840 -0.093 0.000 0.767 822 L CB -0.689 41.374 42.059 0.007 0.000 0.917 822 L HN -0.040 nan 8.230 nan 0.000 0.441 823 K N 0.815 121.153 120.400 -0.103 0.000 2.097 823 K HA -0.188 4.130 4.320 -0.003 0.000 0.206 823 K C 2.109 178.598 176.600 -0.185 0.000 1.049 823 K CA 1.385 57.604 56.287 -0.114 0.000 0.933 823 K CB -0.322 32.138 32.500 -0.068 0.000 0.717 823 K HN 0.125 nan 8.250 nan 0.000 0.442 824 L N 1.091 122.181 121.223 -0.221 0.000 1.994 824 L HA -0.151 4.187 4.340 -0.003 0.000 0.208 824 L C 2.206 178.852 176.870 -0.373 0.000 1.071 824 L CA 1.710 56.375 54.840 -0.291 0.000 0.745 824 L CB -0.617 41.286 42.059 -0.259 0.000 0.892 824 L HN 0.085 nan 8.230 nan 0.000 0.431 825 M N -0.320 119.022 119.600 -0.431 0.000 2.144 825 M HA -0.263 4.215 4.480 -0.003 0.000 0.260 825 M C 2.316 178.462 176.300 -0.256 0.000 1.067 825 M CA 1.704 56.785 55.300 -0.365 0.000 1.095 825 M CB -1.195 31.177 32.600 -0.379 0.000 1.365 825 M HN 0.387 nan 8.290 nan 0.000 0.406 826 K N 0.536 120.797 120.400 -0.231 0.000 2.103 826 K HA -0.126 4.192 4.320 -0.003 0.000 0.204 826 K C 1.898 178.369 176.600 -0.215 0.000 1.052 826 K CA 1.019 57.198 56.287 -0.181 0.000 0.945 826 K CB 0.152 32.567 32.500 -0.141 0.000 0.722 826 K HN 0.260 nan 8.250 nan 0.000 0.443 827 K N 0.511 120.725 120.400 -0.311 0.000 2.074 827 K HA -0.154 4.164 4.320 -0.003 0.000 0.209 827 K C 2.007 178.385 176.600 -0.371 0.000 1.048 827 K CA 1.734 57.768 56.287 -0.421 0.000 0.926 827 K CB -0.190 31.831 32.500 -0.799 0.000 0.713 827 K HN 0.212 nan 8.250 nan 0.000 0.444 828 I N 1.275 121.646 120.570 -0.333 0.000 2.353 828 I HA -0.220 3.948 4.170 -0.003 0.000 0.248 828 I C 2.664 178.705 176.117 -0.128 0.000 1.119 828 I CA 1.647 62.837 61.300 -0.183 0.000 1.417 828 I CB -0.940 36.979 38.000 -0.136 0.000 1.078 828 I HN 0.339 nan 8.210 nan 0.000 0.421 829 D N 0.644 120.964 120.400 -0.134 0.000 2.178 829 D HA -0.074 4.564 4.640 -0.003 0.000 0.202 829 D C 2.225 178.472 176.300 -0.088 0.000 0.974 829 D CA 1.460 55.401 54.000 -0.098 0.000 0.841 829 D CB -0.595 40.148 40.800 -0.093 0.000 0.953 829 D HN 0.128 nan 8.370 nan 0.000 0.478 830 V N 0.348 120.200 119.914 -0.102 0.000 2.379 830 V HA -0.089 4.029 4.120 -0.003 0.000 0.245 830 V C 2.831 178.881 176.094 -0.073 0.000 1.044 830 V CA 1.093 63.343 62.300 -0.083 0.000 1.036 830 V CB -0.325 31.444 31.823 -0.090 0.000 0.664 830 V HN 0.520 nan 8.190 nan 0.000 0.453 831 L N 0.051 121.227 121.223 -0.079 0.000 2.201 831 L HA -0.099 4.239 4.340 -0.003 0.000 0.212 831 L C 2.346 179.168 176.870 -0.080 0.000 1.105 831 L CA 1.038 55.839 54.840 -0.064 0.000 0.775 831 L CB -0.575 41.463 42.059 -0.035 0.000 0.913 831 L HN 0.351 nan 8.230 nan 0.000 0.440 832 N N -0.476 118.178 118.700 -0.078 0.000 2.270 832 N HA -0.126 4.612 4.740 -0.003 0.000 0.181 832 N C 1.965 177.435 175.510 -0.067 0.000 1.016 832 N CA 1.840 54.843 53.050 -0.078 0.000 0.870 832 N CB -0.075 38.373 38.487 -0.065 0.000 0.979 832 N HN 0.409 nan 8.380 nan 0.000 0.431 833 T N -2.256 112.264 114.554 -0.057 0.000 3.043 833 T HA 0.058 4.406 4.350 -0.003 0.000 0.263 833 T C 1.762 176.437 174.700 -0.041 0.000 1.094 833 T CA 0.642 62.716 62.100 -0.043 0.000 1.127 833 T CB 0.193 69.038 68.868 -0.039 0.000 0.905 833 T HN 0.081 nan 8.240 nan 0.000 0.490 834 K N 0.161 120.531 120.400 -0.050 0.000 2.217 834 K HA 0.117 4.435 4.320 -0.003 0.000 0.202 834 K C 2.081 178.645 176.600 -0.060 0.000 1.051 834 K CA 0.503 56.763 56.287 -0.046 0.000 0.952 834 K CB -0.244 32.228 32.500 -0.047 0.000 0.736 834 K HN 0.258 nan 8.250 nan 0.000 0.453 835 L N 0.837 122.002 121.223 -0.097 0.000 2.201 835 L HA -0.035 4.303 4.340 -0.003 0.000 0.212 835 L C 1.704 178.544 176.870 -0.049 0.000 1.105 835 L CA 1.567 56.310 54.840 -0.161 0.000 0.775 835 L CB -0.178 41.735 42.059 -0.245 0.000 0.913 835 L HN 0.050 nan 8.230 nan 0.000 0.440 836 S N -1.701 113.986 115.700 -0.022 0.000 2.496 836 S HA -0.022 4.446 4.470 -0.003 0.000 0.224 836 S C 1.940 176.554 174.600 0.024 0.000 0.996 836 S CA 0.867 59.076 58.200 0.015 0.000 0.927 836 S CB -0.001 63.199 63.200 -0.001 0.000 0.774 836 S HN 0.462 nan 8.310 nan 0.000 0.524 837 S N 2.040 117.747 115.700 0.012 0.000 2.428 837 S HA 0.013 4.481 4.470 -0.003 0.000 0.230 837 S C 0.912 175.532 174.600 0.034 0.000 1.014 837 S CA 0.179 58.388 58.200 0.015 0.000 0.957 837 S CB -0.334 62.868 63.200 0.003 0.000 0.784 837 S HN 0.497 nan 8.310 nan 0.000 0.499 838 N N 2.373 121.110 118.700 0.062 0.000 2.440 838 N HA 0.030 4.769 4.740 -0.003 0.000 0.265 838 N C -2.245 173.320 175.510 0.091 0.000 1.239 838 N CA -1.281 51.831 53.050 0.103 0.000 0.909 838 N CB 1.157 39.775 38.487 0.218 0.000 1.066 838 N HN -0.028 nan 8.380 nan 0.000 0.474 839 P HA -0.104 nan 4.420 nan 0.000 0.220 839 P C 1.147 178.450 177.300 0.006 0.000 1.144 839 P CA 0.996 64.110 63.100 0.022 0.000 0.800 839 P CB 0.274 31.980 31.700 0.009 0.000 0.772 840 L N -1.364 119.860 121.223 0.002 0.000 2.554 840 L HA -0.013 4.325 4.340 -0.003 0.000 0.226 840 L C 2.118 178.912 176.870 -0.128 0.000 1.137 840 L CA 1.359 56.142 54.840 -0.095 0.000 0.863 840 L CB -1.226 40.716 42.059 -0.195 0.000 0.985 840 L HN 0.149 nan 8.230 nan 0.000 0.451 841 T N -4.129 110.426 114.554 0.001 0.000 2.995 841 T HA -0.065 4.283 4.350 -0.003 0.000 0.269 841 T C 1.435 176.129 174.700 -0.010 0.000 1.091 841 T CA 0.778 62.897 62.100 0.032 0.000 1.128 841 T CB -0.142 68.796 68.868 0.117 0.000 0.891 841 T HN 0.263 nan 8.240 nan 0.000 0.492 842 N N 1.014 119.705 118.700 -0.016 0.000 2.236 842 N HA 0.167 4.905 4.740 -0.003 0.000 0.196 842 N C 0.309 175.800 175.510 -0.032 0.000 1.114 842 N CA 0.046 53.085 53.050 -0.018 0.000 0.859 842 N CB 0.605 39.087 38.487 -0.009 0.000 0.982 842 N HN 0.370 nan 8.380 nan 0.000 0.493 843 S N 0.598 116.268 115.700 -0.050 0.000 2.531 843 S HA 0.207 4.675 4.470 -0.003 0.000 0.279 843 S C 1.347 175.915 174.600 -0.054 0.000 1.305 843 S CA -0.371 57.797 58.200 -0.054 0.000 1.058 843 S CB 0.591 63.748 63.200 -0.071 0.000 0.899 843 S HN 0.086 nan 8.310 nan 0.000 0.493 844 M N 4.023 123.599 119.600 -0.039 0.000 2.686 844 M HA 0.059 4.537 4.480 -0.003 0.000 0.246 844 M C 1.371 177.650 176.300 -0.035 0.000 1.096 844 M CA 0.858 56.138 55.300 -0.034 0.000 1.076 844 M CB -0.074 32.511 32.600 -0.024 0.000 1.504 844 M HN 0.621 nan 8.290 nan 0.000 0.524 845 R N -0.981 119.493 120.500 -0.042 0.000 2.437 845 R HA 0.135 4.473 4.340 -0.003 0.000 0.257 845 R C 1.652 177.925 176.300 -0.044 0.000 0.927 845 R CA -0.214 55.865 56.100 -0.035 0.000 1.078 845 R CB -0.004 30.279 30.300 -0.030 0.000 1.161 845 R HN 0.145 nan 8.270 nan 0.000 0.529 846 L N 2.175 123.350 121.223 -0.080 0.000 2.010 846 L HA -0.277 4.061 4.340 -0.003 0.000 0.219 846 L C 1.926 178.765 176.870 -0.051 0.000 1.077 846 L CA 2.008 56.772 54.840 -0.126 0.000 0.773 846 L CB -0.250 41.675 42.059 -0.223 0.000 0.892 846 L HN 0.114 nan 8.230 nan 0.000 0.436 847 E N 0.272 120.448 120.200 -0.040 0.000 2.035 847 E HA -0.303 4.045 4.350 -0.003 0.000 0.204 847 E C 1.991 178.630 176.600 0.066 0.000 1.025 847 E CA 2.071 58.477 56.400 0.009 0.000 0.835 847 E CB -0.585 29.112 29.700 -0.005 0.000 0.764 847 E HN 0.868 nan 8.360 nan 0.000 0.457 848 E N 1.041 121.263 120.200 0.035 0.000 2.077 848 E HA -0.152 4.196 4.350 -0.003 0.000 0.193 848 E C 2.486 179.116 176.600 0.050 0.000 0.989 848 E CA 0.948 57.371 56.400 0.038 0.000 0.800 848 E CB -0.579 29.130 29.700 0.014 0.000 0.746 848 E HN 0.180 nan 8.360 nan 0.000 0.452 849 L N -0.224 121.023 121.223 0.040 0.000 2.046 849 L HA -0.168 4.170 4.340 -0.003 0.000 0.208 849 L C 2.701 179.623 176.870 0.087 0.000 1.077 849 L CA 1.493 56.355 54.840 0.037 0.000 0.747 849 L CB -0.557 41.502 42.059 0.000 0.000 0.896 849 L HN 0.166 nan 8.230 nan 0.000 0.432 850 Y N 0.792 121.089 120.300 -0.005 0.000 2.200 850 Y HA -0.162 4.386 4.550 -0.003 0.000 0.290 850 Y C 2.356 178.322 175.900 0.110 0.000 1.137 850 Y CA 1.506 59.644 58.100 0.062 0.000 1.163 850 Y CB -0.440 38.040 38.460 0.034 0.000 0.988 850 Y HN 0.074 nan 8.280 nan 0.000 0.518 851 G N 0.005 108.928 108.800 0.204 0.000 2.418 851 G HA2 -0.254 3.704 3.960 -0.003 0.000 0.217 851 G HA3 -0.254 3.704 3.960 -0.003 0.000 0.217 851 G C 1.646 176.564 174.900 0.029 0.000 1.158 851 G CA 1.015 46.188 45.100 0.121 0.000 0.771 851 G HN 0.355 nan 8.290 nan 0.000 0.545 852 K N -0.725 119.687 120.400 0.021 0.000 1.985 852 K HA -0.106 4.212 4.320 -0.003 0.000 0.210 852 K C 2.230 178.795 176.600 -0.058 0.000 1.047 852 K CA 1.372 57.648 56.287 -0.019 0.000 0.932 852 K CB -0.448 32.045 32.500 -0.012 0.000 0.716 852 K HN 0.349 nan 8.250 nan 0.000 0.439 853 Y N 1.891 122.086 120.300 -0.175 0.000 2.333 853 Y HA -0.229 4.319 4.550 -0.003 0.000 0.290 853 Y C 2.213 177.915 175.900 -0.329 0.000 1.144 853 Y CA 1.214 59.164 58.100 -0.250 0.000 1.228 853 Y CB 0.036 38.334 38.460 -0.270 0.000 0.985 853 Y HN 0.001 nan 8.280 nan 0.000 0.542 854 S N -0.206 115.357 115.700 -0.228 0.000 2.355 854 S HA -0.217 4.251 4.470 -0.003 0.000 0.222 854 S C 2.440 176.969 174.600 -0.119 0.000 1.031 854 S CA 1.600 59.675 58.200 -0.208 0.000 0.993 854 S CB -0.556 62.609 63.200 -0.059 0.000 0.859 854 S HN 0.634 nan 8.310 nan 0.000 0.453 855 R N 1.712 122.160 120.500 -0.087 0.000 2.073 855 R HA 0.014 4.352 4.340 -0.003 0.000 0.234 855 R C 2.035 178.283 176.300 -0.087 0.000 1.134 855 R CA 2.157 58.223 56.100 -0.057 0.000 0.952 855 R CB -1.262 29.011 30.300 -0.046 0.000 0.850 855 R HN 0.504 nan 8.270 nan 0.000 0.433 856 K N -0.887 119.394 120.400 -0.197 0.000 2.063 856 K HA -0.218 4.100 4.320 -0.003 0.000 0.208 856 K C 2.234 178.766 176.600 -0.113 0.000 1.048 856 K CA 1.717 57.837 56.287 -0.278 0.000 0.928 856 K CB -0.361 31.818 32.500 -0.535 0.000 0.713 856 K HN 0.721 nan 8.250 nan 0.000 0.442 857 H N 0.683 119.511 119.070 -0.404 0.000 2.321 857 H HA -0.125 4.429 4.556 -0.003 0.000 0.300 857 H C 1.340 176.643 175.328 -0.041 0.000 1.087 857 H CA 1.969 57.831 56.048 -0.310 0.000 1.319 857 H CB 0.157 29.603 29.762 -0.527 0.000 1.379 857 H HN 0.298 nan 8.280 nan 0.000 0.501 858 D N 0.915 121.352 120.400 0.062 0.000 2.103 858 D HA -0.175 4.463 4.640 -0.003 0.000 0.190 858 D C 2.635 178.949 176.300 0.023 0.000 0.997 858 D CA 0.938 54.971 54.000 0.056 0.000 0.833 858 D CB -0.625 40.205 40.800 0.051 0.000 0.961 858 D HN 0.355 nan 8.370 nan 0.000 0.447 859 L N 0.236 121.495 121.223 0.060 0.000 2.081 859 L HA -0.229 4.109 4.340 -0.003 0.000 0.212 859 L C 2.556 179.425 176.870 -0.001 0.000 1.080 859 L CA 1.261 56.146 54.840 0.075 0.000 0.754 859 L CB -0.620 41.559 42.059 0.199 0.000 0.893 859 L HN 0.286 nan 8.230 nan 0.000 0.433 860 H N 0.232 119.252 119.070 -0.084 0.000 2.353 860 H HA -0.154 4.400 4.556 -0.003 0.000 0.300 860 H C 2.085 177.250 175.328 -0.273 0.000 1.090 860 H CA 1.427 57.291 56.048 -0.307 0.000 1.327 860 H CB 0.346 29.933 29.762 -0.291 0.000 1.383 860 H HN 0.272 nan 8.280 nan 0.000 0.508 861 E N 0.557 120.686 120.200 -0.118 0.000 2.150 861 E HA -0.114 4.234 4.350 -0.003 0.000 0.193 861 E C 1.814 178.339 176.600 -0.124 0.000 0.985 861 E CA 0.649 56.983 56.400 -0.110 0.000 0.814 861 E CB -0.034 29.641 29.700 -0.041 0.000 0.752 861 E HN 0.574 nan 8.360 nan 0.000 0.466 862 D N 0.107 120.439 120.400 -0.112 0.000 2.084 862 D HA -0.109 4.529 4.640 -0.003 0.000 0.196 862 D C 2.043 178.251 176.300 -0.154 0.000 0.985 862 D CA 0.930 54.867 54.000 -0.105 0.000 0.826 862 D CB -0.242 40.514 40.800 -0.074 0.000 0.978 862 D HN 0.211 nan 8.370 nan 0.000 0.456 863 M N 0.248 119.715 119.600 -0.221 0.000 2.202 863 M HA -0.151 4.327 4.480 -0.003 0.000 0.262 863 M C 2.117 178.252 176.300 -0.275 0.000 1.063 863 M CA 1.071 56.212 55.300 -0.265 0.000 1.097 863 M CB -0.178 32.199 32.600 -0.371 0.000 1.382 863 M HN -0.106 nan 8.290 nan 0.000 0.413 864 K N -0.112 120.102 120.400 -0.311 0.000 2.209 864 K HA -0.153 4.165 4.320 -0.003 0.000 0.204 864 K C 2.124 178.630 176.600 -0.157 0.000 1.048 864 K CA 1.033 57.169 56.287 -0.252 0.000 0.940 864 K CB 0.249 32.610 32.500 -0.231 0.000 0.729 864 K HN 0.259 nan 8.250 nan 0.000 0.451 865 Q N 0.064 119.782 119.800 -0.135 0.000 2.165 865 Q HA 0.021 4.359 4.340 -0.003 0.000 0.197 865 Q C 2.103 178.042 176.000 -0.101 0.000 0.952 865 Q CA 0.643 56.386 55.803 -0.099 0.000 0.848 865 Q CB -0.042 28.648 28.738 -0.079 0.000 0.931 865 Q HN 0.317 nan 8.270 nan 0.000 0.470 866 L N 0.909 122.064 121.223 -0.114 0.000 2.079 866 L HA -0.219 4.119 4.340 -0.003 0.000 0.210 866 L C 2.237 179.041 176.870 -0.110 0.000 1.081 866 L CA 1.315 56.089 54.840 -0.109 0.000 0.752 866 L CB -0.144 41.846 42.059 -0.115 0.000 0.896 866 L HN 0.205 nan 8.230 nan 0.000 0.433 867 K N -0.751 119.577 120.400 -0.121 0.000 2.155 867 K HA -0.115 4.203 4.320 -0.003 0.000 0.203 867 K C 2.170 178.713 176.600 -0.095 0.000 1.052 867 K CA 0.677 56.897 56.287 -0.113 0.000 0.948 867 K CB -0.044 32.380 32.500 -0.127 0.000 0.728 867 K HN 0.269 nan 8.250 nan 0.000 0.448 868 R N 1.221 121.667 120.500 -0.091 0.000 2.081 868 R HA -0.092 4.246 4.340 -0.003 0.000 0.235 868 R C 2.166 178.422 176.300 -0.074 0.000 1.131 868 R CA 1.372 57.427 56.100 -0.075 0.000 0.960 868 R CB -0.002 30.258 30.300 -0.067 0.000 0.856 868 R HN 0.106 nan 8.270 nan 0.000 0.436 869 K N 0.614 120.965 120.400 -0.081 0.000 2.148 869 K HA -0.094 4.224 4.320 -0.003 0.000 0.204 869 K C 2.102 178.646 176.600 -0.094 0.000 1.050 869 K CA 1.256 57.492 56.287 -0.085 0.000 0.942 869 K CB -0.101 32.345 32.500 -0.089 0.000 0.724 869 K HN 0.320 nan 8.250 nan 0.000 0.446 870 I N -2.197 118.316 120.570 -0.096 0.000 2.830 870 I HA -0.096 4.072 4.170 -0.003 0.000 0.263 870 I C 1.598 177.661 176.117 -0.090 0.000 1.230 870 I CA 1.185 62.425 61.300 -0.100 0.000 1.480 870 I CB 0.103 38.044 38.000 -0.099 0.000 1.095 870 I HN -0.142 nan 8.210 nan 0.000 0.455 871 S N 0.674 116.326 115.700 -0.080 0.000 2.456 871 S HA 0.024 4.492 4.470 -0.003 0.000 0.224 871 S C 1.721 176.284 174.600 -0.062 0.000 1.035 871 S CA 0.536 58.695 58.200 -0.068 0.000 0.940 871 S CB 0.048 63.212 63.200 -0.061 0.000 0.799 871 S HN 0.497 nan 8.310 nan 0.000 0.508 872 E N 1.297 121.459 120.200 -0.064 0.000 2.152 872 E HA 0.017 4.365 4.350 -0.003 0.000 0.192 872 E C 1.796 178.356 176.600 -0.067 0.000 0.983 872 E CA 0.841 57.208 56.400 -0.056 0.000 0.818 872 E CB 0.026 29.695 29.700 -0.051 0.000 0.758 872 E HN 0.244 nan 8.360 nan 0.000 0.467 873 S N 0.127 115.773 115.700 -0.090 0.000 2.481 873 S HA -0.164 4.304 4.470 -0.003 0.000 0.231 873 S C 2.171 176.707 174.600 -0.106 0.000 0.996 873 S CA 1.028 59.159 58.200 -0.115 0.000 0.942 873 S CB -0.231 62.882 63.200 -0.146 0.000 0.768 873 S HN 0.435 nan 8.310 nan 0.000 0.520 874 Q N 1.213 120.961 119.800 -0.087 0.000 2.084 874 Q HA 0.267 4.605 4.340 -0.003 0.000 0.202 874 Q C 1.270 177.233 176.000 -0.063 0.000 0.978 874 Q CA 1.359 57.116 55.803 -0.076 0.000 0.844 874 Q CB -1.029 27.671 28.738 -0.064 0.000 0.898 874 Q HN 0.700 nan 8.270 nan 0.000 0.426 875 A N 0.250 123.040 122.820 -0.051 0.000 2.425 875 A HA 0.517 4.835 4.320 -0.003 0.000 0.249 875 A C 0.325 177.888 177.584 -0.034 0.000 1.084 875 A CA -0.246 51.771 52.037 -0.034 0.000 0.781 875 A CB 0.613 19.599 19.000 -0.022 0.000 1.019 875 A HN 0.615 nan 8.150 nan 0.000 0.490 876 V N 3.121 123.022 119.914 -0.022 0.000 2.673 876 V HA 0.058 4.176 4.120 -0.003 0.000 0.303 876 V C 0.562 176.661 176.094 0.010 0.000 1.046 876 V CA 0.247 62.537 62.300 -0.018 0.000 1.126 876 V CB 0.041 31.860 31.823 -0.008 0.000 0.934 876 V HN 0.740 nan 8.190 nan 0.000 0.487 877 I N 2.574 123.161 120.570 0.027 0.000 2.648 877 I HA 0.231 4.399 4.170 -0.003 0.000 0.284 877 I C 0.678 176.859 176.117 0.105 0.000 1.153 877 I CA 0.274 61.636 61.300 0.104 0.000 1.426 877 I CB -0.359 37.793 38.000 0.253 0.000 1.381 877 I HN 0.800 nan 8.210 nan 0.000 0.571 878 Q N 2.309 122.171 119.800 0.103 0.000 2.487 878 Q HA -0.183 4.155 4.340 -0.003 0.000 0.279 878 Q C 0.540 176.577 176.000 0.061 0.000 1.228 878 Q CA 0.667 56.517 55.803 0.078 0.000 0.873 878 Q CB -1.650 27.142 28.738 0.090 0.000 1.260 878 Q HN 0.820 nan 8.270 nan 0.000 0.471 879 L N -0.641 120.611 121.223 0.048 0.000 2.270 879 L HA -0.095 4.243 4.340 -0.003 0.000 0.210 879 L C 1.712 178.599 176.870 0.028 0.000 1.104 879 L CA 0.832 55.695 54.840 0.039 0.000 0.804 879 L CB -0.088 41.989 42.059 0.031 0.000 0.937 879 L HN 0.232 nan 8.230 nan 0.000 0.450 880 D N -0.031 120.383 120.400 0.023 0.000 2.144 880 D HA -0.208 4.430 4.640 -0.003 0.000 0.199 880 D C 1.701 178.008 176.300 0.011 0.000 0.984 880 D CA 1.212 55.221 54.000 0.015 0.000 0.834 880 D CB -0.076 40.731 40.800 0.012 0.000 0.955 880 D HN 0.222 nan 8.370 nan 0.000 0.465 881 D N -0.155 120.250 120.400 0.009 0.000 2.117 881 D HA -0.118 4.520 4.640 -0.003 0.000 0.198 881 D C 2.000 178.295 176.300 -0.010 0.000 0.982 881 D CA 0.290 54.286 54.000 -0.007 0.000 0.828 881 D CB -0.125 40.666 40.800 -0.014 0.000 0.967 881 D HN 0.047 nan 8.370 nan 0.000 0.464 882 L N 0.824 122.052 121.223 0.008 0.000 2.042 882 L HA -0.104 4.234 4.340 -0.003 0.000 0.210 882 L C 2.585 179.466 176.870 0.019 0.000 1.076 882 L CA 2.665 57.513 54.840 0.014 0.000 0.749 882 L CB -1.188 40.894 42.059 0.038 0.000 0.893 882 L HN 0.054 nan 8.230 nan 0.000 0.432 883 R N 0.091 120.604 120.500 0.021 0.000 2.105 883 R HA -0.132 4.206 4.340 -0.003 0.000 0.239 883 R C 2.317 178.630 176.300 0.022 0.000 1.135 883 R CA 1.983 58.096 56.100 0.022 0.000 0.967 883 R CB -1.335 28.976 30.300 0.019 0.000 0.861 883 R HN 0.598 nan 8.270 nan 0.000 0.442 884 R N -0.356 120.154 120.500 0.017 0.000 2.062 884 R HA 0.042 4.380 4.340 -0.003 0.000 0.229 884 R C 2.709 179.035 176.300 0.043 0.000 1.128 884 R CA 1.314 57.427 56.100 0.020 0.000 0.960 884 R CB -0.188 30.119 30.300 0.011 0.000 0.855 884 R HN 0.402 nan 8.270 nan 0.000 0.432 885 R N 0.949 121.475 120.500 0.043 0.000 2.096 885 R HA -0.090 4.248 4.340 -0.003 0.000 0.235 885 R C 2.154 178.543 176.300 0.149 0.000 1.127 885 R CA 1.246 57.419 56.100 0.122 0.000 0.968 885 R CB -0.107 30.156 30.300 -0.062 0.000 0.861 885 R HN 0.178 nan 8.270 nan 0.000 0.440 886 K N 0.262 120.707 120.400 0.076 0.000 2.057 886 K HA -0.171 4.147 4.320 -0.003 0.000 0.207 886 K C 2.179 178.806 176.600 0.046 0.000 1.049 886 K CA 1.140 57.465 56.287 0.063 0.000 0.931 886 K CB -0.131 32.396 32.500 0.046 0.000 0.714 886 K HN 0.096 nan 8.250 nan 0.000 0.440 887 R N 0.993 121.514 120.500 0.036 0.000 2.096 887 R HA -0.127 4.211 4.340 -0.003 0.000 0.235 887 R C 2.022 178.323 176.300 0.001 0.000 1.127 887 R CA 1.187 57.297 56.100 0.018 0.000 0.968 887 R CB -0.112 30.196 30.300 0.013 0.000 0.861 887 R HN -0.004 nan 8.270 nan 0.000 0.440 888 V N 1.409 121.324 119.914 0.002 0.000 2.343 888 V HA -0.245 3.873 4.120 -0.003 0.000 0.247 888 V C 2.362 178.370 176.094 -0.144 0.000 1.051 888 V CA 1.603 63.861 62.300 -0.071 0.000 1.036 888 V CB -0.400 31.384 31.823 -0.065 0.000 0.654 888 V HN 0.337 nan 8.190 nan 0.000 0.451 889 L N -0.641 120.526 121.223 -0.092 0.000 2.141 889 L HA -0.134 4.204 4.340 -0.003 0.000 0.209 889 L C 2.782 179.657 176.870 0.008 0.000 1.094 889 L CA 1.504 56.282 54.840 -0.104 0.000 0.763 889 L CB -0.555 41.509 42.059 0.008 0.000 0.908 889 L HN 0.243 nan 8.230 nan 0.000 0.437 890 R N -0.516 119.994 120.500 0.015 0.000 2.090 890 R HA -0.046 4.292 4.340 -0.003 0.000 0.228 890 R C 2.363 178.679 176.300 0.025 0.000 1.110 890 R CA 0.652 56.770 56.100 0.030 0.000 0.973 890 R CB -0.102 30.212 30.300 0.023 0.000 0.869 890 R HN 0.219 nan 8.270 nan 0.000 0.440 891 R N 0.366 120.867 120.500 0.003 0.000 2.148 891 R HA 0.031 4.369 4.340 -0.003 0.000 0.223 891 R C 1.840 178.150 176.300 0.017 0.000 1.088 891 R CA 0.719 56.820 56.100 0.001 0.000 0.985 891 R CB -0.345 29.945 30.300 -0.017 0.000 0.880 891 R HN 0.174 nan 8.270 nan 0.000 0.451 892 L N -0.677 120.565 121.223 0.031 0.000 2.446 892 L HA 0.198 4.536 4.340 -0.003 0.000 0.219 892 L C 0.885 177.883 176.870 0.215 0.000 1.116 892 L CA 1.312 56.226 54.840 0.122 0.000 0.844 892 L CB -0.839 41.265 42.059 0.076 0.000 0.970 892 L HN 0.456 nan 8.230 nan 0.000 0.457 893 G N -1.162 107.740 108.800 0.169 0.000 2.131 893 G HA2 -0.317 3.641 3.960 -0.003 0.000 0.223 893 G HA3 -0.317 3.641 3.960 -0.003 0.000 0.223 893 G C 0.657 175.588 174.900 0.051 0.000 0.990 893 G CA 0.181 45.324 45.100 0.071 0.000 0.671 893 G HN 0.219 nan 8.290 nan 0.000 0.521 894 F N 0.553 120.436 119.950 -0.111 0.000 2.367 894 F HA 0.254 4.779 4.527 -0.003 0.000 0.298 894 F C 2.038 177.794 175.800 -0.073 0.000 1.094 894 F CA 0.642 58.574 58.000 -0.113 0.000 1.409 894 F CB -0.206 38.736 39.000 -0.098 0.000 1.064 894 F HN 0.710 nan 8.300 nan 0.000 0.528 895 C N -1.899 117.478 119.300 0.129 0.000 3.173 895 C HA 0.658 5.116 4.460 -0.003 0.000 0.310 895 C C 0.256 175.271 174.990 0.043 0.000 1.306 895 C CA -1.001 58.056 59.018 0.065 0.000 1.426 895 C CB 0.747 28.531 27.740 0.073 0.000 1.800 895 C HN 0.317 nan 8.230 nan 0.000 0.470 896 T N -1.353 113.216 114.554 0.026 0.000 2.856 896 T HA 0.383 4.731 4.350 -0.003 0.000 0.306 896 T C -1.707 173.007 174.700 0.023 0.000 1.062 896 T CA -0.505 61.606 62.100 0.019 0.000 1.083 896 T CB 0.174 69.050 68.868 0.013 0.000 0.984 896 T HN 0.627 nan 8.240 nan 0.000 0.542 897 P HA 0.035 nan 4.420 nan 0.000 0.234 897 P C 0.577 177.889 177.300 0.019 0.000 1.162 897 P CA 0.628 63.739 63.100 0.019 0.000 0.759 897 P CB -0.006 31.703 31.700 0.015 0.000 0.813 898 N N -0.344 118.367 118.700 0.020 0.000 2.282 898 N HA 0.021 4.759 4.740 -0.003 0.000 0.240 898 N C -0.392 175.132 175.510 0.023 0.000 1.182 898 N CA 0.025 53.087 53.050 0.020 0.000 0.874 898 N CB 0.134 38.631 38.487 0.016 0.000 1.126 898 N HN -0.065 nan 8.380 nan 0.000 0.516 899 D N 0.502 120.919 120.400 0.028 0.000 2.945 899 D HA -0.164 4.474 4.640 -0.003 0.000 0.225 899 D C -0.283 176.034 176.300 0.029 0.000 1.158 899 D CA 0.730 54.750 54.000 0.033 0.000 0.805 899 D CB -0.886 39.934 40.800 0.035 0.000 1.098 899 D HN 0.305 nan 8.370 nan 0.000 0.426 900 I N 1.309 121.894 120.570 0.025 0.000 2.331 900 I HA 0.312 4.480 4.170 -0.003 0.000 0.292 900 I C 1.212 177.341 176.117 0.020 0.000 0.998 900 I CA -0.739 60.573 61.300 0.019 0.000 1.267 900 I CB 1.296 39.304 38.000 0.014 0.000 1.386 900 I HN 0.003 nan 8.210 nan 0.000 0.476 901 I N 6.647 127.228 120.570 0.018 0.000 2.588 901 I HA 0.056 4.224 4.170 -0.003 0.000 0.283 901 I C 0.720 176.836 176.117 -0.003 0.000 1.119 901 I CA 0.147 61.457 61.300 0.016 0.000 1.419 901 I CB 0.537 38.546 38.000 0.016 0.000 1.394 901 I HN 0.606 nan 8.210 nan 0.000 0.562 902 E N 5.158 125.345 120.200 -0.022 0.000 2.405 902 E HA 0.096 4.444 4.350 -0.003 0.000 0.249 902 E C 0.430 176.976 176.600 -0.090 0.000 1.028 902 E CA -0.778 55.589 56.400 -0.055 0.000 0.897 902 E CB 1.074 30.728 29.700 -0.077 0.000 1.262 902 E HN 0.520 nan 8.360 nan 0.000 0.442 903 L N 1.459 122.624 121.223 -0.097 0.000 2.017 903 L HA -0.176 4.162 4.340 -0.003 0.000 0.208 903 L C 1.993 178.744 176.870 -0.197 0.000 1.073 903 L CA 2.002 56.800 54.840 -0.069 0.000 0.745 903 L CB -0.473 41.604 42.059 0.030 0.000 0.894 903 L HN 0.448 nan 8.230 nan 0.000 0.432 904 K N -0.735 119.349 120.400 -0.527 0.000 2.074 904 K HA -0.162 4.156 4.320 -0.003 0.000 0.209 904 K C 1.965 178.150 176.600 -0.692 0.000 1.048 904 K CA 1.379 57.068 56.287 -0.997 0.000 0.926 904 K CB -0.755 30.899 32.500 -1.409 0.000 0.713 904 K HN 0.583 nan 8.250 nan 0.000 0.444 905 G N 1.059 109.631 108.800 -0.380 0.000 2.422 905 G HA2 -0.244 3.715 3.960 -0.003 0.000 0.218 905 G HA3 -0.244 3.715 3.960 -0.003 0.000 0.218 905 G C 1.425 176.313 174.900 -0.021 0.000 1.146 905 G CA 0.459 45.526 45.100 -0.055 0.000 0.769 905 G HN 0.242 nan 8.290 nan 0.000 0.547 906 R N -0.291 120.179 120.500 -0.050 0.000 2.115 906 R HA 0.041 4.379 4.340 -0.003 0.000 0.230 906 R C 2.592 178.895 176.300 0.004 0.000 1.111 906 R CA 0.821 56.914 56.100 -0.012 0.000 0.976 906 R CB -0.369 29.929 30.300 -0.004 0.000 0.870 906 R HN 0.301 nan 8.270 nan 0.000 0.445 907 V N 1.062 120.976 119.914 0.000 0.000 2.307 907 V HA -0.200 3.918 4.120 -0.003 0.000 0.245 907 V C 2.431 178.553 176.094 0.046 0.000 1.045 907 V CA 1.935 64.263 62.300 0.047 0.000 1.024 907 V CB -0.650 31.263 31.823 0.150 0.000 0.651 907 V HN 0.374 nan 8.190 nan 0.000 0.449 908 A N -1.184 121.665 122.820 0.048 0.000 2.024 908 A HA -0.278 4.041 4.320 -0.003 0.000 0.220 908 A C 2.322 179.963 177.584 0.096 0.000 1.164 908 A CA 2.162 54.286 52.037 0.145 0.000 0.643 908 A CB -1.081 18.133 19.000 0.357 0.000 0.806 908 A HN 0.610 nan 8.150 nan 0.000 0.451 909 C N -0.555 118.776 119.300 0.052 0.000 2.429 909 C HA -0.050 4.409 4.460 -0.003 0.000 0.277 909 C C 2.547 177.543 174.990 0.010 0.000 1.262 909 C CA 1.145 60.167 59.018 0.007 0.000 1.733 909 C CB -0.863 26.865 27.740 -0.020 0.000 2.010 909 C HN 0.603 nan 8.230 nan 0.000 0.483 910 E N 0.543 120.756 120.200 0.022 0.000 2.285 910 E HA 0.130 4.478 4.350 -0.003 0.000 0.194 910 E C 0.577 177.192 176.600 0.025 0.000 0.997 910 E CA 0.417 56.830 56.400 0.022 0.000 0.845 910 E CB -0.176 29.534 29.700 0.016 0.000 0.782 910 E HN 0.644 nan 8.360 nan 0.000 0.491 911 I N 1.980 122.569 120.570 0.033 0.000 2.363 911 I HA -0.021 4.147 4.170 -0.003 0.000 0.292 911 I C 1.127 177.273 176.117 0.049 0.000 1.075 911 I CA 0.091 61.410 61.300 0.032 0.000 1.333 911 I CB 0.710 38.729 38.000 0.032 0.000 1.415 911 I HN -0.082 nan 8.210 nan 0.000 0.502 912 S N 1.213 116.942 115.700 0.048 0.000 2.649 912 S HA 0.078 4.546 4.470 -0.003 0.000 0.246 912 S C 1.053 175.694 174.600 0.068 0.000 1.057 912 S CA -0.249 57.988 58.200 0.061 0.000 1.051 912 S CB 0.401 63.635 63.200 0.057 0.000 1.018 912 S HN 0.469 nan 8.310 nan 0.000 0.569 913 S N 1.359 117.097 115.700 0.063 0.000 2.614 913 S HA 0.633 5.101 4.470 -0.003 0.000 0.230 913 S C 0.556 175.221 174.600 0.109 0.000 0.952 913 S CA 0.093 58.339 58.200 0.077 0.000 0.949 913 S CB 0.366 63.606 63.200 0.066 0.000 0.786 913 S HN 0.895 nan 8.310 nan 0.000 0.478 914 G N 0.411 109.282 108.800 0.119 0.000 2.523 914 G HA2 0.278 4.236 3.960 -0.003 0.000 0.291 914 G HA3 0.278 4.236 3.960 -0.003 0.000 0.291 914 G C -1.977 173.051 174.900 0.213 0.000 1.450 914 G CA -0.803 44.414 45.100 0.195 0.000 0.790 914 G HN 0.008 nan 8.290 nan 0.000 0.496 915 D N 1.041 121.664 120.400 0.372 0.000 2.455 915 D HA -0.024 4.614 4.640 -0.003 0.000 0.265 915 D C 1.608 178.060 176.300 0.254 0.000 1.284 915 D CA 0.118 54.347 54.000 0.381 0.000 0.944 915 D CB 0.849 42.033 40.800 0.641 0.000 1.121 915 D HN 0.522 nan 8.370 nan 0.000 0.525 916 E N 4.588 124.904 120.200 0.193 0.000 2.274 916 E HA -0.141 4.207 4.350 -0.003 0.000 0.194 916 E C 1.810 178.528 176.600 0.197 0.000 0.996 916 E CA 0.326 56.820 56.400 0.157 0.000 0.840 916 E CB -0.217 29.575 29.700 0.153 0.000 0.772 916 E HN 0.564 nan 8.360 nan 0.000 0.491 917 L N 0.086 121.383 121.223 0.123 0.000 2.023 917 L HA -0.123 4.215 4.340 -0.003 0.000 0.205 917 L C 2.676 179.659 176.870 0.188 0.000 1.073 917 L CA 0.895 55.742 54.840 0.012 0.000 0.745 917 L CB -0.508 41.378 42.059 -0.288 0.000 0.900 917 L HN 0.161 nan 8.230 nan 0.000 0.435 918 L N -0.075 121.281 121.223 0.222 0.000 2.017 918 L HA -0.188 4.150 4.340 -0.003 0.000 0.208 918 L C 2.318 179.300 176.870 0.187 0.000 1.073 918 L CA 1.649 56.625 54.840 0.227 0.000 0.745 918 L CB -0.554 41.660 42.059 0.258 0.000 0.894 918 L HN 0.093 nan 8.230 nan 0.000 0.432 919 L N -1.063 120.216 121.223 0.093 0.000 2.012 919 L HA -0.249 4.089 4.340 -0.003 0.000 0.210 919 L C 2.331 179.267 176.870 0.109 0.000 1.073 919 L CA 1.959 56.759 54.840 -0.066 0.000 0.748 919 L CB -0.732 41.160 42.059 -0.277 0.000 0.891 919 L HN 0.313 nan 8.230 nan 0.000 0.431 920 T N -1.283 113.373 114.554 0.170 0.000 2.746 920 T HA -0.163 4.185 4.350 -0.003 0.000 0.267 920 T C 1.768 176.623 174.700 0.258 0.000 1.039 920 T CA 0.986 63.214 62.100 0.213 0.000 1.142 920 T CB -0.114 68.842 68.868 0.146 0.000 0.866 920 T HN 0.276 nan 8.240 nan 0.000 0.444 921 E N 0.974 121.320 120.200 0.243 0.000 2.110 921 E HA -0.039 4.309 4.350 -0.003 0.000 0.193 921 E C 2.306 179.027 176.600 0.201 0.000 0.988 921 E CA 0.692 57.216 56.400 0.207 0.000 0.804 921 E CB -0.365 29.448 29.700 0.188 0.000 0.745 921 E HN 0.467 nan 8.360 nan 0.000 0.458 922 L N 0.450 121.793 121.223 0.200 0.000 1.989 922 L HA -0.213 4.125 4.340 -0.003 0.000 0.211 922 L C 2.578 179.599 176.870 0.250 0.000 1.071 922 L CA 1.109 56.056 54.840 0.179 0.000 0.749 922 L CB -0.473 41.725 42.059 0.231 0.000 0.890 922 L HN 0.120 nan 8.230 nan 0.000 0.431 923 I N -1.023 119.747 120.570 0.333 0.000 2.163 923 I HA -0.335 3.833 4.170 -0.003 0.000 0.243 923 I C 2.209 178.379 176.117 0.088 0.000 1.085 923 I CA 1.682 63.123 61.300 0.236 0.000 1.347 923 I CB -0.352 37.712 38.000 0.106 0.000 1.044 923 I HN 0.092 nan 8.210 nan 0.000 0.408 924 F N 0.435 120.408 119.950 0.039 0.000 2.661 924 F HA -0.087 4.438 4.527 -0.003 0.000 0.298 924 F C 2.060 177.868 175.800 0.014 0.000 1.137 924 F CA 0.795 58.797 58.000 0.003 0.000 1.454 924 F CB -0.370 38.605 39.000 -0.043 0.000 1.103 924 F HN 0.101 nan 8.300 nan 0.000 0.577 925 N N -0.285 118.519 118.700 0.173 0.000 2.392 925 N HA 0.084 4.822 4.740 -0.003 0.000 0.177 925 N C 1.318 176.859 175.510 0.050 0.000 1.066 925 N CA 0.984 54.091 53.050 0.096 0.000 0.895 925 N CB 0.260 38.791 38.487 0.073 0.000 0.988 925 N HN 0.153 nan 8.380 nan 0.000 0.457 926 G N 0.312 109.145 108.800 0.054 0.000 2.137 926 G HA2 -0.272 3.686 3.960 -0.003 0.000 0.237 926 G HA3 -0.272 3.686 3.960 -0.003 0.000 0.237 926 G C 0.580 175.487 174.900 0.011 0.000 1.002 926 G CA 0.375 45.496 45.100 0.036 0.000 0.702 926 G HN 0.364 nan 8.290 nan 0.000 0.515 927 N N -0.346 118.327 118.700 -0.044 0.000 2.459 927 N HA 0.102 4.840 4.740 -0.003 0.000 0.181 927 N C 1.384 176.712 175.510 -0.304 0.000 1.046 927 N CA 0.954 53.880 53.050 -0.206 0.000 0.904 927 N CB -0.256 38.033 38.487 -0.329 0.000 0.964 927 N HN 0.520 nan 8.380 nan 0.000 0.444 928 F N -0.062 119.894 119.950 0.010 0.000 2.749 928 F HA 0.266 4.791 4.527 -0.003 0.000 0.300 928 F C 1.730 177.533 175.800 0.004 0.000 1.103 928 F CA -0.271 57.736 58.000 0.012 0.000 1.342 928 F CB 0.002 39.005 39.000 0.006 0.000 1.098 928 F HN -0.069 nan 8.300 nan 0.000 0.586 929 N N 1.122 119.900 118.700 0.131 0.000 2.069 929 N HA -0.172 4.566 4.740 -0.003 0.000 0.191 929 N C 1.736 177.281 175.510 0.057 0.000 1.031 929 N CA 1.850 54.945 53.050 0.075 0.000 0.852 929 N CB -0.284 38.225 38.487 0.037 0.000 1.018 929 N HN 0.459 nan 8.380 nan 0.000 0.423 930 E N 0.426 120.651 120.200 0.041 0.000 2.496 930 E HA 0.292 4.640 4.350 -0.003 0.000 0.202 930 E C 0.371 176.996 176.600 0.041 0.000 1.021 930 E CA -0.190 56.230 56.400 0.033 0.000 1.015 930 E CB -0.437 29.273 29.700 0.016 0.000 1.102 930 E HN 0.194 nan 8.360 nan 0.000 0.452 931 L N 0.824 122.087 121.223 0.067 0.000 2.357 931 L HA 0.414 4.752 4.340 -0.003 0.000 0.273 931 L C 0.459 177.388 176.870 0.099 0.000 1.080 931 L CA -0.739 54.150 54.840 0.082 0.000 0.803 931 L CB 1.835 43.961 42.059 0.112 0.000 1.174 931 L HN 0.115 nan 8.230 nan 0.000 0.443 932 K N 2.962 123.424 120.400 0.104 0.000 2.218 932 K HA 0.177 4.495 4.320 -0.003 0.000 0.276 932 K C -1.635 175.044 176.600 0.130 0.000 1.022 932 K CA -1.534 54.817 56.287 0.106 0.000 0.946 932 K CB 1.100 33.667 32.500 0.112 0.000 1.000 932 K HN 0.242 nan 8.250 nan 0.000 0.468 933 P HA -0.239 nan 4.420 nan 0.000 0.217 933 P C 0.389 177.771 177.300 0.137 0.000 1.158 933 P CA 1.497 64.661 63.100 0.108 0.000 0.887 933 P CB 0.270 32.010 31.700 0.067 0.000 0.792 934 E N -0.633 119.638 120.200 0.118 0.000 2.118 934 E HA -0.215 4.133 4.350 -0.003 0.000 0.195 934 E C 2.175 178.968 176.600 0.321 0.000 0.992 934 E CA 1.297 57.776 56.400 0.131 0.000 0.804 934 E CB -0.716 28.938 29.700 -0.077 0.000 0.741 934 E HN 0.435 nan 8.360 nan 0.000 0.458 935 Q N -0.183 119.808 119.800 0.318 0.000 2.046 935 Q HA -0.055 4.283 4.340 -0.003 0.000 0.200 935 Q C 2.327 178.468 176.000 0.235 0.000 0.975 935 Q CA 1.247 57.212 55.803 0.271 0.000 0.836 935 Q CB -0.245 28.598 28.738 0.176 0.000 0.896 935 Q HN 0.324 nan 8.270 nan 0.000 0.428 936 A N 1.424 124.391 122.820 0.245 0.000 1.892 936 A HA -0.231 4.087 4.320 -0.003 0.000 0.218 936 A C 2.330 180.095 177.584 0.302 0.000 1.188 936 A CA 1.884 54.116 52.037 0.324 0.000 0.631 936 A CB -0.979 18.208 19.000 0.311 0.000 0.822 936 A HN 0.420 nan 8.150 nan 0.000 0.447 937 A N -0.206 122.763 122.820 0.249 0.000 1.883 937 A HA 0.101 4.419 4.320 -0.003 0.000 0.217 937 A C 2.559 180.293 177.584 0.251 0.000 1.186 937 A CA 2.447 54.631 52.037 0.246 0.000 0.624 937 A CB -1.186 17.965 19.000 0.252 0.000 0.822 937 A HN 1.193 nan 8.150 nan 0.000 0.444 938 A N -0.650 122.325 122.820 0.258 0.000 1.908 938 A HA -0.087 4.231 4.320 -0.003 0.000 0.218 938 A C 2.157 179.853 177.584 0.185 0.000 1.181 938 A CA 1.883 54.050 52.037 0.218 0.000 0.627 938 A CB -0.647 18.489 19.000 0.225 0.000 0.818 938 A HN 0.742 nan 8.150 nan 0.000 0.445 939 L N -0.348 121.000 121.223 0.207 0.000 2.056 939 L HA -0.053 4.286 4.340 -0.003 0.000 0.207 939 L C 2.231 179.300 176.870 0.333 0.000 1.078 939 L CA 1.570 56.535 54.840 0.209 0.000 0.749 939 L CB -0.491 41.679 42.059 0.185 0.000 0.901 939 L HN 0.399 nan 8.230 nan 0.000 0.433 940 L N -0.543 120.923 121.223 0.406 0.000 2.191 940 L HA -0.178 4.160 4.340 -0.003 0.000 0.212 940 L C 2.617 179.743 176.870 0.427 0.000 1.103 940 L CA 1.284 56.421 54.840 0.495 0.000 0.769 940 L CB -0.692 41.555 42.059 0.313 0.000 0.908 940 L HN 0.537 nan 8.230 nan 0.000 0.438 941 S N -1.295 114.561 115.700 0.260 0.000 2.440 941 S HA -0.205 4.263 4.470 -0.003 0.000 0.238 941 S C 1.957 176.673 174.600 0.192 0.000 1.010 941 S CA 1.145 59.448 58.200 0.172 0.000 0.972 941 S CB -1.016 62.221 63.200 0.061 0.000 0.774 941 S HN 0.470 nan 8.310 nan 0.000 0.501 942 C N 0.551 119.943 119.300 0.154 0.000 2.419 942 C HA 0.157 4.615 4.460 -0.003 0.000 0.283 942 C C 1.952 176.931 174.990 -0.019 0.000 1.373 942 C CA 0.220 59.254 59.018 0.027 0.000 1.781 942 C CB -1.875 25.773 27.740 -0.154 0.000 1.886 942 C HN 0.665 nan 8.230 nan 0.000 0.520 943 F N 0.619 120.717 119.950 0.247 0.000 2.698 943 F HA 0.232 4.757 4.527 -0.003 0.000 0.295 943 F C 2.246 178.143 175.800 0.162 0.000 1.124 943 F CA 0.798 58.949 58.000 0.252 0.000 1.426 943 F CB -0.346 38.791 39.000 0.227 0.000 1.120 943 F HN 0.132 nan 8.300 nan 0.000 0.583 944 A N -0.647 122.354 122.820 0.301 0.000 1.973 944 A HA 0.102 4.420 4.320 -0.003 0.000 0.210 944 A C 0.431 178.126 177.584 0.185 0.000 1.200 944 A CA -0.003 52.160 52.037 0.209 0.000 0.707 944 A CB -0.497 18.608 19.000 0.174 0.000 0.862 944 A HN 0.161 nan 8.150 nan 0.000 0.461 945 F N 1.160 121.120 119.950 0.017 0.000 2.438 945 F HA 0.393 4.918 4.527 -0.003 0.000 0.356 945 F C 1.004 176.788 175.800 -0.028 0.000 1.099 945 F CA -0.461 57.525 58.000 -0.023 0.000 1.185 945 F CB 1.034 40.004 39.000 -0.050 0.000 1.115 945 F HN 0.146 nan 8.300 nan 0.000 0.526 946 Q N 3.126 122.548 119.800 -0.629 0.000 2.369 946 Q HA 0.116 4.454 4.340 -0.003 0.000 0.254 946 Q C 0.008 175.600 176.000 -0.679 0.000 0.858 946 Q CA 0.176 55.675 55.803 -0.507 0.000 0.961 946 Q CB 0.266 28.855 28.738 -0.248 0.000 1.119 946 Q HN 0.703 nan 8.270 nan 0.000 0.538 947 E N 1.673 121.289 120.200 -0.972 0.000 2.408 947 E HA 0.108 4.456 4.350 -0.003 0.000 0.259 947 E C -0.096 176.200 176.600 -0.507 0.000 1.110 947 E CA -0.066 55.981 56.400 -0.588 0.000 0.929 947 E CB 0.666 30.190 29.700 -0.294 0.000 0.971 947 E HN -0.124 nan 8.360 nan 0.000 0.438 948 R N 0.864 121.251 120.500 -0.188 0.000 2.404 948 R HA 0.443 4.781 4.340 -0.003 0.000 0.291 948 R C -0.232 176.094 176.300 0.044 0.000 1.025 948 R CA -0.394 55.663 56.100 -0.072 0.000 0.991 948 R CB 0.417 30.683 30.300 -0.056 0.000 1.053 948 R HN 0.782 nan 8.270 nan 0.000 0.479 949 C N -2.623 116.725 119.300 0.079 0.000 3.314 949 C HA 0.778 5.236 4.460 -0.003 0.000 0.344 949 C C 0.202 175.220 174.990 0.047 0.000 1.461 949 C CA -1.049 58.026 59.018 0.095 0.000 1.249 949 C CB 0.741 28.584 27.740 0.171 0.000 1.632 949 C HN 0.855 nan 8.230 nan 0.000 0.452 950 K N 0.130 120.550 120.400 0.032 0.000 2.319 950 K HA 0.476 4.794 4.320 -0.003 0.000 0.265 950 K C 0.074 176.673 176.600 -0.001 0.000 1.000 950 K CA 0.533 56.827 56.287 0.011 0.000 0.943 950 K CB 0.067 32.571 32.500 0.006 0.000 0.950 950 K HN 1.045 nan 8.250 nan 0.000 0.485 951 E N 0.368 120.566 120.200 -0.004 0.000 2.414 951 E HA 0.360 4.708 4.350 -0.003 0.000 0.263 951 E C 0.016 176.613 176.600 -0.006 0.000 1.000 951 E CA 0.173 56.569 56.400 -0.008 0.000 0.914 951 E CB 0.666 30.370 29.700 0.007 0.000 0.948 951 E HN 0.754 nan 8.360 nan 0.000 0.444 952 A N 5.039 127.855 122.820 -0.008 0.000 2.282 952 A HA 0.526 4.844 4.320 -0.003 0.000 0.319 952 A C -2.221 175.379 177.584 0.027 0.000 1.121 952 A CA -1.435 50.604 52.037 0.003 0.000 0.836 952 A CB 0.258 19.255 19.000 -0.004 0.000 1.146 952 A HN 0.606 nan 8.150 nan 0.000 0.494 953 P HA 0.400 nan 4.420 nan 0.000 0.268 953 P C 0.592 177.910 177.300 0.029 0.000 1.208 953 P CA 0.160 63.272 63.100 0.021 0.000 0.777 953 P CB 0.159 31.867 31.700 0.014 0.000 0.875 954 R N 1.836 122.348 120.500 0.021 0.000 2.817 954 R HA 0.102 4.440 4.340 -0.003 0.000 0.264 954 R C 0.098 176.398 176.300 -0.000 0.000 1.009 954 R CA 0.300 56.408 56.100 0.013 0.000 1.133 954 R CB -1.151 29.150 30.300 0.003 0.000 1.013 954 R HN 0.531 nan 8.270 nan 0.000 0.453 955 L N 1.422 122.634 121.223 -0.019 0.000 2.325 955 L HA 0.584 4.922 4.340 -0.003 0.000 0.279 955 L C 1.330 178.165 176.870 -0.058 0.000 1.054 955 L CA -0.499 54.315 54.840 -0.044 0.000 0.804 955 L CB 1.535 43.554 42.059 -0.067 0.000 1.200 955 L HN 1.041 nan 8.230 nan 0.000 0.436 956 K N 3.421 123.776 120.400 -0.075 0.000 2.230 956 K HA 0.225 4.543 4.320 -0.003 0.000 0.253 956 K C -1.743 174.804 176.600 -0.088 0.000 1.008 956 K CA -0.955 55.287 56.287 -0.075 0.000 0.910 956 K CB -0.843 31.606 32.500 -0.084 0.000 0.994 956 K HN 0.562 nan 8.250 nan 0.000 0.495 957 P HA -0.160 nan 4.420 nan 0.000 0.228 957 P C 0.326 177.578 177.300 -0.080 0.000 1.151 957 P CA 0.835 63.896 63.100 -0.064 0.000 0.770 957 P CB 0.419 32.093 31.700 -0.043 0.000 0.786 958 E N -0.369 119.764 120.200 -0.112 0.000 2.208 958 E HA 0.014 4.362 4.350 -0.003 0.000 0.193 958 E C 1.908 178.401 176.600 -0.178 0.000 0.988 958 E CA 0.864 57.180 56.400 -0.140 0.000 0.828 958 E CB -0.022 29.559 29.700 -0.199 0.000 0.763 958 E HN 0.395 nan 8.360 nan 0.000 0.478 959 L N -1.173 119.931 121.223 -0.198 0.000 2.717 959 L HA 0.267 4.605 4.340 -0.003 0.000 0.239 959 L C 2.167 178.964 176.870 -0.122 0.000 1.086 959 L CA 0.400 55.138 54.840 -0.170 0.000 0.897 959 L CB 0.036 41.970 42.059 -0.209 0.000 1.214 959 L HN -0.076 nan 8.230 nan 0.000 0.508 960 A N 0.231 122.981 122.820 -0.117 0.000 1.970 960 A HA -0.152 4.166 4.320 -0.003 0.000 0.216 960 A C 2.080 179.604 177.584 -0.100 0.000 1.170 960 A CA 1.350 53.319 52.037 -0.113 0.000 0.645 960 A CB -0.121 18.821 19.000 -0.096 0.000 0.816 960 A HN 0.283 nan 8.150 nan 0.000 0.447 961 E N 0.267 120.416 120.200 -0.086 0.000 2.028 961 E HA -0.082 4.266 4.350 -0.003 0.000 0.191 961 E C -0.746 175.805 176.600 -0.081 0.000 0.988 961 E CA 1.726 58.082 56.400 -0.073 0.000 0.799 961 E CB -0.790 28.875 29.700 -0.059 0.000 0.755 961 E HN 0.427 nan 8.360 nan 0.000 0.447 962 P HA -0.104 nan 4.420 nan 0.000 0.218 962 P C 1.281 178.517 177.300 -0.106 0.000 1.149 962 P CA 0.715 63.757 63.100 -0.096 0.000 0.817 962 P CB 0.030 31.683 31.700 -0.078 0.000 0.785 963 L N 0.249 121.408 121.223 -0.107 0.000 2.109 963 L HA -0.058 4.280 4.340 -0.003 0.000 0.207 963 L C 2.227 179.021 176.870 -0.126 0.000 1.086 963 L CA 1.913 56.677 54.840 -0.128 0.000 0.760 963 L CB -1.019 40.937 42.059 -0.172 0.000 0.910 963 L HN -0.205 nan 8.230 nan 0.000 0.437 964 K N -0.598 119.736 120.400 -0.110 0.000 2.057 964 K HA -0.153 4.165 4.320 -0.003 0.000 0.207 964 K C 1.992 178.546 176.600 -0.076 0.000 1.049 964 K CA 1.297 57.531 56.287 -0.088 0.000 0.931 964 K CB -0.216 32.240 32.500 -0.073 0.000 0.714 964 K HN 0.421 nan 8.250 nan 0.000 0.440 965 A N 1.585 124.357 122.820 -0.081 0.000 1.865 965 A HA -0.218 4.100 4.320 -0.003 0.000 0.217 965 A C 2.154 179.691 177.584 -0.077 0.000 1.191 965 A CA 2.216 54.208 52.037 -0.075 0.000 0.623 965 A CB -0.644 18.304 19.000 -0.088 0.000 0.826 965 A HN 0.623 nan 8.150 nan 0.000 0.444 966 M N -0.895 118.644 119.600 -0.101 0.000 2.319 966 M HA 0.057 4.535 4.480 -0.003 0.000 0.265 966 M C 1.797 178.025 176.300 -0.119 0.000 1.068 966 M CA 1.764 57.001 55.300 -0.104 0.000 1.118 966 M CB -0.381 32.151 32.600 -0.114 0.000 1.395 966 M HN 0.240 nan 8.290 nan 0.000 0.435 967 R N 0.617 121.050 120.500 -0.111 0.000 2.092 967 R HA -0.066 4.272 4.340 -0.003 0.000 0.231 967 R C 2.155 178.435 176.300 -0.033 0.000 1.119 967 R CA 1.915 57.965 56.100 -0.083 0.000 0.970 967 R CB -0.341 29.917 30.300 -0.069 0.000 0.864 967 R HN 0.633 nan 8.270 nan 0.000 0.440 968 E N 0.384 120.565 120.200 -0.031 0.000 2.077 968 E HA -0.182 4.166 4.350 -0.003 0.000 0.193 968 E C 1.989 178.594 176.600 0.008 0.000 0.989 968 E CA 1.099 57.495 56.400 -0.008 0.000 0.800 968 E CB -0.070 29.622 29.700 -0.015 0.000 0.746 968 E HN 0.342 nan 8.360 nan 0.000 0.452 969 I N 1.095 121.665 120.570 0.000 0.000 2.286 969 I HA -0.246 3.922 4.170 -0.003 0.000 0.248 969 I C 2.522 178.672 176.117 0.055 0.000 1.115 969 I CA 0.769 62.084 61.300 0.024 0.000 1.392 969 I CB -0.314 37.699 38.000 0.021 0.000 1.065 969 I HN 0.083 nan 8.210 nan 0.000 0.418 970 A N 0.807 123.653 122.820 0.043 0.000 1.972 970 A HA -0.131 4.187 4.320 -0.003 0.000 0.219 970 A C 2.545 180.269 177.584 0.234 0.000 1.169 970 A CA 1.746 53.872 52.037 0.149 0.000 0.635 970 A CB -0.619 18.382 19.000 0.002 0.000 0.810 970 A HN 0.431 nan 8.150 nan 0.000 0.446 971 A N 0.291 123.189 122.820 0.129 0.000 1.855 971 A HA -0.160 4.158 4.320 -0.003 0.000 0.215 971 A C 2.129 179.754 177.584 0.069 0.000 1.191 971 A CA 1.990 54.091 52.037 0.107 0.000 0.613 971 A CB -0.585 18.454 19.000 0.064 0.000 0.829 971 A HN 0.571 nan 8.150 nan 0.000 0.442 972 K N -0.069 120.361 120.400 0.049 0.000 2.077 972 K HA -0.230 4.088 4.320 -0.003 0.000 0.213 972 K C 1.857 178.463 176.600 0.009 0.000 1.051 972 K CA 2.261 58.564 56.287 0.027 0.000 0.929 972 K CB -0.445 32.072 32.500 0.028 0.000 0.715 972 K HN 0.524 nan 8.250 nan 0.000 0.451 973 I N 0.866 121.449 120.570 0.022 0.000 2.163 973 I HA -0.212 3.956 4.170 -0.003 0.000 0.240 973 I C 2.666 178.700 176.117 -0.139 0.000 1.081 973 I CA 1.105 62.378 61.300 -0.045 0.000 1.353 973 I CB -0.526 37.477 38.000 0.006 0.000 1.054 973 I HN 0.312 nan 8.210 nan 0.000 0.407 974 A N 0.996 123.733 122.820 -0.138 0.000 1.948 974 A HA -0.310 4.008 4.320 -0.003 0.000 0.220 974 A C 2.252 179.771 177.584 -0.108 0.000 1.177 974 A CA 2.332 54.235 52.037 -0.223 0.000 0.636 974 A CB -0.533 18.453 19.000 -0.023 0.000 0.815 974 A HN 0.331 nan 8.150 nan 0.000 0.449 975 K N 0.307 120.679 120.400 -0.047 0.000 2.026 975 K HA -0.041 4.277 4.320 -0.003 0.000 0.208 975 K C 1.605 178.179 176.600 -0.044 0.000 1.048 975 K CA 1.839 58.108 56.287 -0.030 0.000 0.929 975 K CB -0.557 31.937 32.500 -0.009 0.000 0.713 975 K HN 0.481 nan 8.250 nan 0.000 0.439 976 I N 0.524 121.060 120.570 -0.056 0.000 2.361 976 I HA -0.291 3.877 4.170 -0.003 0.000 0.251 976 I C 2.268 178.344 176.117 -0.068 0.000 1.133 976 I CA 1.366 62.632 61.300 -0.058 0.000 1.413 976 I CB -0.271 37.687 38.000 -0.069 0.000 1.073 976 I HN 0.255 nan 8.210 nan 0.000 0.424 977 M N -0.040 119.499 119.600 -0.101 0.000 2.175 977 M HA -0.184 4.294 4.480 -0.003 0.000 0.264 977 M C 2.292 178.559 176.300 -0.055 0.000 1.063 977 M CA 1.491 56.738 55.300 -0.089 0.000 1.119 977 M CB -0.386 32.121 32.600 -0.156 0.000 1.377 977 M HN -0.019 nan 8.290 nan 0.000 0.415 978 K N 0.948 121.315 120.400 -0.055 0.000 2.062 978 K HA -0.112 4.206 4.320 -0.003 0.000 0.205 978 K C 1.371 177.959 176.600 -0.021 0.000 1.051 978 K CA 1.507 57.775 56.287 -0.032 0.000 0.941 978 K CB -0.375 32.110 32.500 -0.025 0.000 0.719 978 K HN 0.184 nan 8.250 nan 0.000 0.440 979 D N -0.200 120.187 120.400 -0.022 0.000 2.182 979 D HA -0.093 4.545 4.640 -0.003 0.000 0.201 979 D C 1.014 177.307 176.300 -0.011 0.000 0.986 979 D CA 1.050 55.041 54.000 -0.014 0.000 0.847 979 D CB -0.104 40.687 40.800 -0.015 0.000 0.942 979 D HN 0.087 nan 8.370 nan 0.000 0.467 980 S N -0.327 115.365 115.700 -0.014 0.000 2.754 980 S HA 0.145 4.613 4.470 -0.003 0.000 0.223 980 S C 1.242 175.841 174.600 -0.003 0.000 0.951 980 S CA 0.719 58.916 58.200 -0.006 0.000 0.954 980 S CB -0.169 63.029 63.200 -0.003 0.000 0.780 980 S HN 0.470 nan 8.310 nan 0.000 0.509 981 K N 0.526 120.922 120.400 -0.006 0.000 3.209 981 K HA -0.201 4.117 4.320 -0.003 0.000 0.289 981 K C -0.012 176.584 176.600 -0.006 0.000 1.191 981 K CA 1.399 57.683 56.287 -0.005 0.000 0.851 981 K CB -2.805 29.694 32.500 -0.002 0.000 1.242 981 K HN 0.606 nan 8.250 nan 0.000 0.480 982 I N 1.371 121.936 120.570 -0.008 0.000 2.342 982 I HA 0.403 4.571 4.170 -0.003 0.000 0.291 982 I C 1.315 177.423 176.117 -0.016 0.000 1.010 982 I CA 0.084 61.378 61.300 -0.010 0.000 1.308 982 I CB 1.545 39.544 38.000 -0.001 0.000 1.400 982 I HN 0.525 nan 8.210 nan 0.000 0.488 983 E N 6.940 127.131 120.200 -0.016 0.000 1.774 983 E HA 0.321 4.669 4.350 -0.003 0.000 0.265 983 E C -0.600 175.991 176.600 -0.014 0.000 1.207 983 E CA 0.076 56.467 56.400 -0.014 0.000 1.054 983 E CB 0.500 30.191 29.700 -0.016 0.000 1.074 983 E HN 0.404 nan 8.360 nan 0.000 0.433 984 V N 1.944 121.850 119.914 -0.014 0.000 2.960 984 V HA 0.603 4.721 4.120 -0.003 0.000 0.315 984 V C -0.371 175.729 176.094 0.009 0.000 1.087 984 V CA -0.654 61.643 62.300 -0.006 0.000 0.982 984 V CB 2.589 34.388 31.823 -0.040 0.000 1.039 984 V HN 0.477 nan 8.190 nan 0.000 0.437 985 V N 4.932 124.866 119.914 0.033 0.000 2.304 985 V HA 0.262 4.380 4.120 -0.003 0.000 0.269 985 V C 1.230 177.368 176.094 0.073 0.000 1.036 985 V CA 0.234 62.559 62.300 0.041 0.000 0.840 985 V CB 0.641 32.486 31.823 0.038 0.000 1.036 985 V HN 1.083 nan 8.190 nan 0.000 0.466 986 E N 4.365 124.599 120.200 0.057 0.000 2.169 986 E HA -0.312 4.036 4.350 -0.003 0.000 0.202 986 E C 2.213 178.889 176.600 0.127 0.000 1.016 986 E CA 2.379 58.828 56.400 0.081 0.000 0.817 986 E CB 0.187 29.915 29.700 0.047 0.000 0.736 986 E HN 0.789 nan 8.360 nan 0.000 0.462 987 K N 0.672 121.127 120.400 0.091 0.000 2.031 987 K HA -0.145 4.173 4.320 -0.003 0.000 0.205 987 K C 1.756 178.414 176.600 0.096 0.000 1.049 987 K CA 1.679 58.017 56.287 0.085 0.000 0.939 987 K CB -0.933 31.600 32.500 0.054 0.000 0.717 987 K HN 0.154 nan 8.250 nan 0.000 0.438 988 D N -0.999 119.453 120.400 0.086 0.000 2.221 988 D HA -0.114 4.524 4.640 -0.003 0.000 0.204 988 D C 1.656 178.008 176.300 0.087 0.000 0.982 988 D CA 1.135 55.173 54.000 0.065 0.000 0.857 988 D CB -0.282 40.546 40.800 0.046 0.000 0.934 988 D HN 0.611 nan 8.370 nan 0.000 0.475 989 Y N 0.965 121.284 120.300 0.032 0.000 2.184 989 Y HA -0.157 4.391 4.550 -0.003 0.000 0.290 989 Y C 2.146 178.151 175.900 0.175 0.000 1.129 989 Y CA 1.006 59.144 58.100 0.064 0.000 1.144 989 Y CB -0.272 38.244 38.460 0.094 0.000 0.995 989 Y HN -0.193 nan 8.280 nan 0.000 0.513 990 V N 0.421 120.459 119.914 0.207 0.000 2.594 990 V HA -0.257 3.861 4.120 -0.003 0.000 0.253 990 V C 1.504 177.684 176.094 0.144 0.000 1.069 990 V CA 2.278 64.678 62.300 0.166 0.000 1.082 990 V CB -0.521 31.387 31.823 0.142 0.000 0.680 990 V HN 0.401 nan 8.190 nan 0.000 0.469 991 E N -0.139 120.107 120.200 0.077 0.000 2.481 991 E HA -0.001 4.347 4.350 -0.003 0.000 0.198 991 E C 2.059 178.640 176.600 -0.032 0.000 1.027 991 E CA 0.614 57.047 56.400 0.056 0.000 0.900 991 E CB 0.158 29.886 29.700 0.046 0.000 0.993 991 E HN 0.718 nan 8.360 nan 0.000 0.482 992 S N 0.234 115.830 115.700 -0.173 0.000 2.481 992 S HA -0.059 4.409 4.470 -0.003 0.000 0.231 992 S C 0.540 174.853 174.600 -0.479 0.000 0.996 992 S CA 0.218 58.193 58.200 -0.376 0.000 0.942 992 S CB -0.327 62.537 63.200 -0.560 0.000 0.768 992 S HN 0.078 nan 8.310 nan 0.000 0.520 993 F N 4.117 123.943 119.950 -0.207 0.000 2.462 993 F HA 0.437 4.962 4.527 -0.003 0.000 0.354 993 F C 0.702 176.438 175.800 -0.106 0.000 1.192 993 F CA -1.012 56.850 58.000 -0.230 0.000 1.173 993 F CB 0.300 39.068 39.000 -0.387 0.000 1.402 993 F HN -0.167 nan 8.300 nan 0.000 0.595 994 R N 2.934 123.456 120.500 0.038 0.000 2.570 994 R HA 0.025 4.363 4.340 -0.003 0.000 0.277 994 R C 0.952 177.355 176.300 0.171 0.000 1.039 994 R CA 0.044 56.196 56.100 0.087 0.000 1.065 994 R CB -0.167 30.210 30.300 0.129 0.000 0.964 994 R HN 0.743 nan 8.270 nan 0.000 0.428 995 H N -0.506 118.631 119.070 0.111 0.000 3.078 995 H HA 0.239 4.793 4.556 -0.003 0.000 0.263 995 H C -0.282 175.058 175.328 0.019 0.000 1.177 995 H CA -0.225 55.854 56.048 0.051 0.000 1.128 995 H CB 0.450 30.220 29.762 0.013 0.000 1.623 995 H HN 0.435 nan 8.280 nan 0.000 0.592 996 E N 1.365 121.439 120.200 -0.209 0.000 2.510 996 E HA 0.058 4.407 4.350 -0.003 0.000 0.202 996 E C 1.159 177.644 176.600 -0.192 0.000 1.072 996 E CA 0.414 56.704 56.400 -0.184 0.000 0.883 996 E CB 0.245 29.870 29.700 -0.126 0.000 0.818 996 E HN 0.521 nan 8.360 nan 0.000 0.548 997 L N -0.583 120.510 121.223 -0.217 0.000 3.016 997 L HA 0.259 4.597 4.340 -0.003 0.000 0.267 997 L C 1.335 178.155 176.870 -0.083 0.000 1.182 997 L CA -0.125 54.562 54.840 -0.255 0.000 0.997 997 L CB 0.074 41.813 42.059 -0.535 0.000 1.354 997 L HN 0.195 nan 8.230 nan 0.000 0.569 998 M N 0.624 120.230 119.600 0.010 0.000 2.108 998 M HA -0.219 4.259 4.480 -0.003 0.000 0.261 998 M C 2.674 179.037 176.300 0.105 0.000 1.066 998 M CA 2.581 57.923 55.300 0.071 0.000 1.107 998 M CB -0.555 32.090 32.600 0.075 0.000 1.356 998 M HN 0.485 nan 8.290 nan 0.000 0.406 999 E N 0.293 120.539 120.200 0.076 0.000 2.051 999 E HA -0.115 4.233 4.350 -0.003 0.000 0.192 999 E C 1.991 178.696 176.600 0.175 0.000 0.991 999 E CA 1.909 58.379 56.400 0.116 0.000 0.799 999 E CB -1.281 28.458 29.700 0.066 0.000 0.748 999 E HN 0.363 nan 8.360 nan 0.000 0.449 1000 V N 0.834 120.809 119.914 0.101 0.000 2.255 1000 V HA -0.266 3.852 4.120 -0.003 0.000 0.247 1000 V C 2.714 178.963 176.094 0.259 0.000 1.051 1000 V CA 1.932 64.308 62.300 0.127 0.000 1.018 1000 V CB -0.406 31.424 31.823 0.012 0.000 0.641 1000 V HN 0.514 nan 8.190 nan 0.000 0.445 1001 V N -1.040 119.002 119.914 0.214 0.000 2.343 1001 V HA -0.302 3.816 4.120 -0.003 0.000 0.247 1001 V C 2.185 178.514 176.094 0.392 0.000 1.051 1001 V CA 2.415 64.917 62.300 0.337 0.000 1.036 1001 V CB -0.883 31.049 31.823 0.182 0.000 0.654 1001 V HN 0.641 nan 8.190 nan 0.000 0.451 1002 Y N 1.320 121.733 120.300 0.188 0.000 2.097 1002 Y HA -0.240 4.308 4.550 -0.003 0.000 0.282 1002 Y C 2.662 178.658 175.900 0.160 0.000 1.152 1002 Y CA 2.086 60.278 58.100 0.153 0.000 1.136 1002 Y CB -0.168 38.353 38.460 0.102 0.000 0.975 1002 Y HN 0.228 nan 8.280 nan 0.000 0.498 1003 E N -0.342 119.978 120.200 0.201 0.000 2.051 1003 E HA -0.280 4.068 4.350 -0.003 0.000 0.192 1003 E C 2.171 178.836 176.600 0.109 0.000 0.991 1003 E CA 1.293 57.750 56.400 0.096 0.000 0.799 1003 E CB -1.179 28.621 29.700 0.167 0.000 0.748 1003 E HN 0.749 nan 8.360 nan 0.000 0.449 1004 W N 0.974 122.315 121.300 0.067 0.000 2.342 1004 W HA -0.249 4.409 4.660 -0.004 0.000 0.297 1004 W C 1.785 178.303 176.519 -0.002 0.000 1.213 1004 W CA 1.328 58.703 57.345 0.050 0.000 1.251 1004 W CB -0.277 29.262 29.460 0.132 0.000 1.136 1004 W HN 0.086 nan 8.180 nan 0.000 0.526 1005 C N 0.439 119.773 119.300 0.056 0.000 2.464 1005 C HA 0.017 4.475 4.460 -0.003 0.000 0.278 1005 C C 2.364 177.236 174.990 -0.197 0.000 1.375 1005 C CA 0.418 59.390 59.018 -0.077 0.000 1.761 1005 C CB -1.081 26.683 27.740 0.041 0.000 1.944 1005 C HN 0.222 nan 8.230 nan 0.000 0.509 1006 R N 0.657 121.014 120.500 -0.240 0.000 2.323 1006 R HA 0.141 4.479 4.340 -0.003 0.000 0.198 1006 R C 1.504 177.683 176.300 -0.202 0.000 0.988 1006 R CA 0.844 56.794 56.100 -0.250 0.000 1.041 1006 R CB -0.205 29.909 30.300 -0.309 0.000 0.926 1006 R HN 0.609 nan 8.270 nan 0.000 0.476 1007 G N 0.447 109.091 108.800 -0.261 0.000 2.134 1007 G HA2 -0.247 3.711 3.960 -0.003 0.000 0.209 1007 G HA3 -0.247 3.711 3.960 -0.003 0.000 0.209 1007 G C 0.297 175.051 174.900 -0.243 0.000 0.993 1007 G CA -0.046 44.877 45.100 -0.294 0.000 0.669 1007 G HN 0.508 nan 8.290 nan 0.000 0.519 1008 A N -0.365 122.351 122.820 -0.173 0.000 2.387 1008 A HA 0.695 5.013 4.320 -0.003 0.000 0.251 1008 A C 0.901 178.471 177.584 -0.023 0.000 1.113 1008 A CA 1.308 53.321 52.037 -0.039 0.000 0.794 1008 A CB 0.228 19.277 19.000 0.081 0.000 1.069 1008 A HN 0.867 nan 8.150 nan 0.000 0.506 1009 T N 0.144 114.752 114.554 0.091 0.000 2.902 1009 T HA 0.351 4.699 4.350 -0.003 0.000 0.283 1009 T C 0.782 175.694 174.700 0.354 0.000 1.009 1009 T CA -0.128 62.078 62.100 0.176 0.000 1.051 1009 T CB 0.839 69.773 68.868 0.110 0.000 0.999 1009 T HN 0.488 nan 8.240 nan 0.000 0.474 1010 F N 2.292 122.447 119.950 0.342 0.000 2.126 1010 F HA -0.159 4.366 4.527 -0.003 0.000 0.299 1010 F C 2.469 178.342 175.800 0.121 0.000 1.096 1010 F CA 1.765 59.913 58.000 0.246 0.000 1.255 1010 F CB -0.704 38.385 39.000 0.148 0.000 0.997 1010 F HN 0.597 nan 8.300 nan 0.000 0.479 1011 T N 0.160 114.806 114.554 0.153 0.000 2.720 1011 T HA -0.249 4.099 4.350 -0.003 0.000 0.268 1011 T C 1.863 176.547 174.700 -0.027 0.000 1.037 1011 T CA 1.833 63.951 62.100 0.029 0.000 1.144 1011 T CB -0.318 68.596 68.868 0.078 0.000 0.864 1011 T HN 0.409 nan 8.240 nan 0.000 0.444 1012 Q N 0.437 120.254 119.800 0.028 0.000 2.096 1012 Q HA -0.074 4.264 4.340 -0.003 0.000 0.204 1012 Q C 2.534 178.531 176.000 -0.004 0.000 0.982 1012 Q CA 1.588 57.405 55.803 0.023 0.000 0.850 1012 Q CB -0.481 28.290 28.738 0.054 0.000 0.901 1012 Q HN 0.732 nan 8.270 nan 0.000 0.422 1013 I N -2.712 117.852 120.570 -0.010 0.000 2.500 1013 I HA -0.129 4.039 4.170 -0.003 0.000 0.252 1013 I C 1.964 177.994 176.117 -0.145 0.000 1.142 1013 I CA 0.699 61.981 61.300 -0.029 0.000 1.451 1013 I CB -0.453 37.583 38.000 0.060 0.000 1.093 1013 I HN 0.093 nan 8.210 nan 0.000 0.430 1014 C N 1.671 120.802 119.300 -0.283 0.000 2.419 1014 C HA -0.055 4.403 4.460 -0.003 0.000 0.281 1014 C C 2.711 177.607 174.990 -0.156 0.000 1.336 1014 C CA 0.690 59.530 59.018 -0.296 0.000 1.770 1014 C CB -1.033 26.476 27.740 -0.386 0.000 1.929 1014 C HN 0.484 nan 8.230 nan 0.000 0.509 1015 K N 0.304 120.640 120.400 -0.105 0.000 2.217 1015 K HA 0.067 4.385 4.320 -0.003 0.000 0.202 1015 K C 1.741 178.309 176.600 -0.052 0.000 1.051 1015 K CA 0.934 57.184 56.287 -0.062 0.000 0.952 1015 K CB -0.330 32.149 32.500 -0.034 0.000 0.736 1015 K HN 0.562 nan 8.250 nan 0.000 0.453 1016 M N 0.269 119.839 119.600 -0.051 0.000 2.619 1016 M HA -0.055 4.423 4.480 -0.003 0.000 0.251 1016 M C 0.624 176.894 176.300 -0.050 0.000 1.106 1016 M CA 0.612 55.893 55.300 -0.033 0.000 1.086 1016 M CB 0.318 32.912 32.600 -0.010 0.000 1.465 1016 M HN -0.046 nan 8.290 nan 0.000 0.506 1017 T N -2.005 112.505 114.554 -0.074 0.000 2.853 1017 T HA 0.348 4.696 4.350 -0.003 0.000 0.311 1017 T C 0.030 174.679 174.700 -0.086 0.000 1.307 1017 T CA 0.129 62.180 62.100 -0.082 0.000 1.019 1017 T CB 1.602 70.403 68.868 -0.111 0.000 1.264 1017 T HN 0.169 nan 8.240 nan 0.000 0.497 1018 D N 1.105 121.463 120.400 -0.069 0.000 2.348 1018 D HA 0.332 4.970 4.640 -0.003 0.000 0.211 1018 D C 0.959 177.213 176.300 -0.076 0.000 0.998 1018 D CA 0.437 54.391 54.000 -0.077 0.000 0.873 1018 D CB -0.018 40.759 40.800 -0.039 0.000 0.925 1018 D HN 0.571 nan 8.370 nan 0.000 0.524 1019 V N 1.473 121.366 119.914 -0.035 0.000 2.540 1019 V HA 0.144 4.262 4.120 -0.003 0.000 0.297 1019 V C 0.256 176.375 176.094 0.042 0.000 1.024 1019 V CA -0.660 61.667 62.300 0.046 0.000 1.105 1019 V CB -0.441 31.386 31.823 0.007 0.000 0.938 1019 V HN 0.456 nan 8.190 nan 0.000 0.482 1020 Y N 3.239 123.578 120.300 0.064 0.000 2.652 1020 Y HA -0.059 4.489 4.550 -0.003 0.000 0.344 1020 Y C 1.532 177.491 175.900 0.098 0.000 1.254 1020 Y CA 0.405 58.559 58.100 0.089 0.000 1.480 1020 Y CB 0.406 38.943 38.460 0.129 0.000 1.345 1020 Y HN 0.702 nan 8.280 nan 0.000 0.617 1021 E N 1.533 121.896 120.200 0.272 0.000 2.058 1021 E HA -0.160 4.188 4.350 -0.003 0.000 0.194 1021 E C 2.249 179.045 176.600 0.325 0.000 0.997 1021 E CA 1.606 58.178 56.400 0.288 0.000 0.801 1021 E CB -0.489 29.418 29.700 0.345 0.000 0.746 1021 E HN 0.913 nan 8.360 nan 0.000 0.450 1022 G N -0.294 108.676 108.800 0.284 0.000 2.470 1022 G HA2 -0.219 3.739 3.960 -0.003 0.000 0.220 1022 G HA3 -0.219 3.739 3.960 -0.003 0.000 0.220 1022 G C 1.584 176.595 174.900 0.185 0.000 1.121 1022 G CA 0.940 46.158 45.100 0.197 0.000 0.766 1022 G HN 0.200 nan 8.290 nan 0.000 0.553 1023 S N 0.078 115.910 115.700 0.220 0.000 2.406 1023 S HA 0.110 4.578 4.470 -0.003 0.000 0.224 1023 S C 2.234 176.941 174.600 0.177 0.000 1.030 1023 S CA 0.140 58.458 58.200 0.197 0.000 0.958 1023 S CB -0.103 63.239 63.200 0.235 0.000 0.811 1023 S HN 0.302 nan 8.310 nan 0.000 0.489 1024 L N 1.256 122.583 121.223 0.174 0.000 2.042 1024 L HA -0.115 4.223 4.340 -0.003 0.000 0.210 1024 L C 2.158 179.190 176.870 0.269 0.000 1.076 1024 L CA 1.276 56.202 54.840 0.144 0.000 0.749 1024 L CB -0.559 41.611 42.059 0.184 0.000 0.893 1024 L HN 0.312 nan 8.230 nan 0.000 0.432 1025 I N -0.783 119.956 120.570 0.282 0.000 2.252 1025 I HA -0.248 3.921 4.170 -0.003 0.000 0.245 1025 I C 2.633 178.867 176.117 0.194 0.000 1.102 1025 I CA 1.091 62.532 61.300 0.234 0.000 1.385 1025 I CB -0.374 37.685 38.000 0.098 0.000 1.064 1025 I HN 0.228 nan 8.210 nan 0.000 0.414 1026 R N 0.633 121.224 120.500 0.151 0.000 2.189 1026 R HA -0.162 4.177 4.340 -0.003 0.000 0.223 1026 R C 2.226 178.600 176.300 0.124 0.000 1.092 1026 R CA 1.518 57.693 56.100 0.125 0.000 0.989 1026 R CB -0.358 30.006 30.300 0.107 0.000 0.876 1026 R HN 0.450 nan 8.270 nan 0.000 0.457 1027 M N -1.599 118.069 119.600 0.113 0.000 2.394 1027 M HA 0.093 4.571 4.480 -0.003 0.000 0.266 1027 M C 1.454 177.768 176.300 0.022 0.000 1.098 1027 M CA 1.534 56.873 55.300 0.065 0.000 1.149 1027 M CB -0.364 32.267 32.600 0.052 0.000 1.369 1027 M HN -0.179 nan 8.290 nan 0.000 0.450 1028 F N 1.462 121.440 119.950 0.047 0.000 2.134 1028 F HA -0.011 4.514 4.527 -0.003 0.000 0.299 1028 F C 2.253 178.094 175.800 0.068 0.000 1.097 1028 F CA 1.663 59.680 58.000 0.029 0.000 1.264 1028 F CB -0.605 38.353 39.000 -0.069 0.000 1.001 1028 F HN 0.173 nan 8.300 nan 0.000 0.479 1029 K N -0.304 120.248 120.400 0.253 0.000 2.097 1029 K HA -0.199 4.119 4.320 -0.003 0.000 0.206 1029 K C 2.268 178.957 176.600 0.147 0.000 1.049 1029 K CA 1.336 57.733 56.287 0.183 0.000 0.933 1029 K CB -0.203 32.380 32.500 0.139 0.000 0.717 1029 K HN 0.171 nan 8.250 nan 0.000 0.442 1030 R N 0.982 121.562 120.500 0.132 0.000 2.090 1030 R HA -0.104 4.234 4.340 -0.003 0.000 0.228 1030 R C 2.296 178.669 176.300 0.121 0.000 1.110 1030 R CA 0.767 56.935 56.100 0.112 0.000 0.973 1030 R CB -0.216 30.147 30.300 0.104 0.000 0.869 1030 R HN 0.063 nan 8.270 nan 0.000 0.440 1031 L N 1.810 123.114 121.223 0.136 0.000 2.043 1031 L HA -0.174 4.164 4.340 -0.003 0.000 0.212 1031 L C 1.619 178.577 176.870 0.147 0.000 1.075 1031 L CA 1.920 56.849 54.840 0.147 0.000 0.752 1031 L CB -0.465 41.684 42.059 0.152 0.000 0.891 1031 L HN 0.254 nan 8.230 nan 0.000 0.432 1032 E N -0.694 119.605 120.200 0.165 0.000 2.051 1032 E HA -0.275 4.073 4.350 -0.003 0.000 0.192 1032 E C 2.104 178.752 176.600 0.080 0.000 0.991 1032 E CA 1.337 57.818 56.400 0.135 0.000 0.799 1032 E CB -0.159 29.636 29.700 0.160 0.000 0.748 1032 E HN 0.623 nan 8.360 nan 0.000 0.449 1033 E N 0.522 120.769 120.200 0.079 0.000 2.085 1033 E HA -0.223 4.125 4.350 -0.003 0.000 0.194 1033 E C 2.080 178.704 176.600 0.040 0.000 0.994 1033 E CA 0.681 57.112 56.400 0.052 0.000 0.801 1033 E CB 0.043 29.777 29.700 0.058 0.000 0.743 1033 E HN 0.076 nan 8.360 nan 0.000 0.453 1034 L N 0.058 121.313 121.223 0.053 0.000 2.056 1034 L HA -0.131 4.207 4.340 -0.003 0.000 0.207 1034 L C 2.206 179.074 176.870 -0.004 0.000 1.078 1034 L CA 1.251 56.108 54.840 0.029 0.000 0.749 1034 L CB -0.404 41.688 42.059 0.055 0.000 0.901 1034 L HN 0.017 nan 8.230 nan 0.000 0.433 1035 V N -0.062 119.861 119.914 0.015 0.000 2.295 1035 V HA -0.316 3.802 4.120 -0.003 0.000 0.246 1035 V C 2.595 178.673 176.094 -0.026 0.000 1.049 1035 V CA 2.010 64.304 62.300 -0.011 0.000 1.024 1035 V CB -0.717 31.125 31.823 0.031 0.000 0.648 1035 V HN 0.455 nan 8.190 nan 0.000 0.447 1036 K N -0.195 120.200 120.400 -0.009 0.000 2.113 1036 K HA -0.253 4.065 4.320 -0.003 0.000 0.208 1036 K C 2.100 178.685 176.600 -0.025 0.000 1.047 1036 K CA 1.852 58.128 56.287 -0.019 0.000 0.928 1036 K CB -0.234 32.258 32.500 -0.014 0.000 0.716 1036 K HN 0.580 nan 8.250 nan 0.000 0.446 1037 E N 0.704 120.890 120.200 -0.022 0.000 2.106 1037 E HA -0.094 4.254 4.350 -0.003 0.000 0.192 1037 E C 1.967 178.539 176.600 -0.047 0.000 0.984 1037 E CA 0.651 57.036 56.400 -0.025 0.000 0.806 1037 E CB 0.041 29.733 29.700 -0.013 0.000 0.750 1037 E HN 0.236 nan 8.360 nan 0.000 0.458 1038 L N 0.361 121.538 121.223 -0.076 0.000 2.291 1038 L HA -0.089 4.249 4.340 -0.003 0.000 0.214 1038 L C 2.251 179.061 176.870 -0.101 0.000 1.120 1038 L CA 0.369 55.139 54.840 -0.118 0.000 0.799 1038 L CB -0.179 41.759 42.059 -0.201 0.000 0.925 1038 L HN 0.066 nan 8.230 nan 0.000 0.446 1039 V N -0.140 119.729 119.914 -0.075 0.000 2.515 1039 V HA -0.230 3.888 4.120 -0.003 0.000 0.250 1039 V C 1.891 177.955 176.094 -0.049 0.000 1.058 1039 V CA 1.634 63.898 62.300 -0.060 0.000 1.064 1039 V CB -0.393 31.403 31.823 -0.044 0.000 0.675 1039 V HN 0.420 nan 8.190 nan 0.000 0.461 1040 D N -0.461 119.915 120.400 -0.041 0.000 2.213 1040 D HA -0.041 4.597 4.640 -0.003 0.000 0.205 1040 D C 2.148 178.429 176.300 -0.031 0.000 0.961 1040 D CA 0.749 54.731 54.000 -0.029 0.000 0.853 1040 D CB -0.004 40.785 40.800 -0.018 0.000 0.967 1040 D HN 0.285 nan 8.370 nan 0.000 0.496 1041 V N 1.432 121.322 119.914 -0.040 0.000 2.427 1041 V HA -0.185 3.934 4.120 -0.003 0.000 0.248 1041 V C 2.458 178.516 176.094 -0.060 0.000 1.051 1041 V CA 1.747 64.024 62.300 -0.037 0.000 1.048 1041 V CB -0.594 31.204 31.823 -0.042 0.000 0.666 1041 V HN 0.177 nan 8.190 nan 0.000 0.456 1042 A N 0.070 122.842 122.820 -0.079 0.000 2.015 1042 A HA -0.224 4.094 4.320 -0.003 0.000 0.219 1042 A C 2.039 179.581 177.584 -0.069 0.000 1.163 1042 A CA 1.994 53.976 52.037 -0.091 0.000 0.646 1042 A CB -0.676 18.268 19.000 -0.093 0.000 0.806 1042 A HN 0.594 nan 8.150 nan 0.000 0.448 1043 N N 0.153 118.822 118.700 -0.050 0.000 2.109 1043 N HA -0.141 4.597 4.740 -0.003 0.000 0.188 1043 N C 1.960 177.451 175.510 -0.032 0.000 1.034 1043 N CA 2.667 55.695 53.050 -0.037 0.000 0.846 1043 N CB -0.520 37.950 38.487 -0.028 0.000 1.010 1043 N HN 0.518 nan 8.380 nan 0.000 0.425 1044 T N -1.036 113.503 114.554 -0.025 0.000 2.737 1044 T HA -0.093 4.255 4.350 -0.003 0.000 0.265 1044 T C 2.093 176.782 174.700 -0.019 0.000 1.038 1044 T CA 1.030 63.122 62.100 -0.014 0.000 1.144 1044 T CB -0.704 68.164 68.868 -0.000 0.000 0.866 1044 T HN 0.290 nan 8.240 nan 0.000 0.434 1045 I N 1.141 121.687 120.570 -0.040 0.000 2.756 1045 I HA 0.097 4.265 4.170 -0.003 0.000 0.262 1045 I C 1.918 177.985 176.117 -0.083 0.000 1.225 1045 I CA 1.057 62.312 61.300 -0.075 0.000 1.472 1045 I CB -0.684 37.204 38.000 -0.186 0.000 1.094 1045 I HN 0.680 nan 8.210 nan 0.000 0.454 1046 G N 0.996 109.758 108.800 -0.064 0.000 2.225 1046 G HA2 -0.329 3.629 3.960 -0.003 0.000 0.254 1046 G HA3 -0.329 3.629 3.960 -0.003 0.000 0.254 1046 G C 0.405 175.268 174.900 -0.062 0.000 0.988 1046 G CA 0.283 45.351 45.100 -0.053 0.000 0.625 1046 G HN 0.465 nan 8.290 nan 0.000 0.527 1047 N N 1.335 119.983 118.700 -0.087 0.000 2.412 1047 N HA 0.278 5.016 4.740 -0.003 0.000 0.279 1047 N C 1.465 176.938 175.510 -0.060 0.000 1.287 1047 N CA 1.034 54.035 53.050 -0.082 0.000 0.948 1047 N CB 0.847 39.267 38.487 -0.112 0.000 1.255 1047 N HN 0.249 nan 8.380 nan 0.000 0.485 1048 S N 2.305 117.979 115.700 -0.044 0.000 2.368 1048 S HA -0.138 4.330 4.470 -0.003 0.000 0.224 1048 S C 1.919 176.501 174.600 -0.030 0.000 1.029 1048 S CA 1.611 59.791 58.200 -0.034 0.000 0.988 1048 S CB -0.188 62.997 63.200 -0.026 0.000 0.838 1048 S HN 0.661 nan 8.310 nan 0.000 0.462 1049 S N 1.003 116.686 115.700 -0.028 0.000 2.354 1049 S HA -0.125 4.343 4.470 -0.003 0.000 0.219 1049 S C 1.898 176.486 174.600 -0.021 0.000 1.035 1049 S CA 1.573 59.761 58.200 -0.019 0.000 1.037 1049 S CB -0.899 62.293 63.200 -0.012 0.000 0.956 1049 S HN 0.503 nan 8.310 nan 0.000 0.428 1050 L N 2.217 123.421 121.223 -0.032 0.000 2.137 1050 L HA -0.125 4.213 4.340 -0.003 0.000 0.213 1050 L C 2.262 179.097 176.870 -0.059 0.000 1.085 1050 L CA 2.552 57.365 54.840 -0.045 0.000 0.760 1050 L CB -0.928 41.087 42.059 -0.073 0.000 0.893 1050 L HN 0.478 nan 8.230 nan 0.000 0.434 1051 K N -0.798 119.569 120.400 -0.054 0.000 2.025 1051 K HA -0.172 4.146 4.320 -0.003 0.000 0.207 1051 K C 1.872 178.451 176.600 -0.035 0.000 1.049 1051 K CA 1.564 57.822 56.287 -0.050 0.000 0.933 1051 K CB -0.138 32.336 32.500 -0.044 0.000 0.714 1051 K HN 0.403 nan 8.250 nan 0.000 0.438 1052 E N 1.150 121.335 120.200 -0.024 0.000 2.077 1052 E HA -0.236 4.112 4.350 -0.003 0.000 0.193 1052 E C 1.934 178.529 176.600 -0.008 0.000 0.989 1052 E CA 1.241 57.632 56.400 -0.014 0.000 0.800 1052 E CB -0.187 29.507 29.700 -0.009 0.000 0.746 1052 E HN 0.418 nan 8.360 nan 0.000 0.452 1053 K N 0.432 120.827 120.400 -0.007 0.000 1.985 1053 K HA -0.122 4.196 4.320 -0.003 0.000 0.210 1053 K C 2.114 178.715 176.600 0.001 0.000 1.047 1053 K CA 1.504 57.794 56.287 0.006 0.000 0.932 1053 K CB -0.001 32.510 32.500 0.017 0.000 0.716 1053 K HN -0.049 nan 8.250 nan 0.000 0.439 1054 M N 1.042 120.625 119.600 -0.028 0.000 2.279 1054 M HA -0.124 4.354 4.480 -0.003 0.000 0.264 1054 M C 1.673 177.968 176.300 -0.010 0.000 1.062 1054 M CA 1.551 56.830 55.300 -0.035 0.000 1.099 1054 M CB -0.815 31.736 32.600 -0.081 0.000 1.394 1054 M HN 0.261 nan 8.290 nan 0.000 0.426 1055 E N 0.213 120.407 120.200 -0.011 0.000 2.152 1055 E HA -0.032 4.316 4.350 -0.003 0.000 0.192 1055 E C 2.136 178.742 176.600 0.010 0.000 0.983 1055 E CA 0.988 57.386 56.400 -0.004 0.000 0.818 1055 E CB -0.014 29.679 29.700 -0.010 0.000 0.758 1055 E HN 0.510 nan 8.360 nan 0.000 0.467 1056 A N 0.779 123.607 122.820 0.013 0.000 1.930 1056 A HA -0.107 4.211 4.320 -0.003 0.000 0.217 1056 A C 2.425 180.031 177.584 0.036 0.000 1.175 1056 A CA 0.853 52.902 52.037 0.020 0.000 0.627 1056 A CB -0.454 18.557 19.000 0.018 0.000 0.815 1056 A HN 0.102 nan 8.150 nan 0.000 0.443 1057 V N -0.201 119.742 119.914 0.049 0.000 2.407 1057 V HA -0.215 3.903 4.120 -0.003 0.000 0.248 1057 V C 2.465 178.618 176.094 0.099 0.000 1.055 1057 V CA 1.846 64.194 62.300 0.080 0.000 1.049 1057 V CB -0.753 31.122 31.823 0.088 0.000 0.662 1057 V HN 0.569 nan 8.190 nan 0.000 0.455 1058 L N 0.168 121.437 121.223 0.075 0.000 2.083 1058 L HA -0.138 4.200 4.340 -0.003 0.000 0.209 1058 L C 2.349 179.283 176.870 0.108 0.000 1.083 1058 L CA 1.905 56.798 54.840 0.088 0.000 0.752 1058 L CB -0.743 41.338 42.059 0.037 0.000 0.899 1058 L HN 0.231 nan 8.230 nan 0.000 0.433 1059 K N -0.824 119.619 120.400 0.072 0.000 2.057 1059 K HA -0.116 4.202 4.320 -0.003 0.000 0.206 1059 K C 2.056 178.691 176.600 0.058 0.000 1.050 1059 K CA 1.485 57.811 56.287 0.065 0.000 0.935 1059 K CB -0.286 32.232 32.500 0.029 0.000 0.715 1059 K HN 0.335 nan 8.250 nan 0.000 0.439 1060 L N 0.633 121.885 121.223 0.048 0.000 2.141 1060 L HA -0.152 4.186 4.340 -0.003 0.000 0.209 1060 L C 2.206 179.106 176.870 0.050 0.000 1.094 1060 L CA 1.027 55.871 54.840 0.006 0.000 0.763 1060 L CB -0.246 41.822 42.059 0.016 0.000 0.908 1060 L HN 0.188 nan 8.230 nan 0.000 0.437 1061 I N -1.714 118.972 120.570 0.193 0.000 2.556 1061 I HA -0.147 4.021 4.170 -0.003 0.000 0.251 1061 I C 1.142 177.461 176.117 0.337 0.000 1.105 1061 I CA 0.180 61.697 61.300 0.361 0.000 1.436 1061 I CB -0.022 38.206 38.000 0.379 0.000 1.139 1061 I HN 0.116 nan 8.210 nan 0.000 0.438 1062 H N 4.044 123.204 119.070 0.149 0.000 3.392 1062 H HA 0.160 4.714 4.556 -0.003 0.000 0.253 1062 H C 0.011 175.388 175.328 0.081 0.000 1.682 1062 H CA -0.093 56.018 56.048 0.105 0.000 1.535 1062 H CB -0.477 29.327 29.762 0.069 0.000 1.823 1062 H HN 0.241 nan 8.280 nan 0.000 0.576 1063 R N 1.820 122.307 120.500 -0.021 0.000 2.710 1063 R HA 0.436 4.774 4.340 -0.003 0.000 0.270 1063 R C -0.800 175.525 176.300 0.041 0.000 1.021 1063 R CA -0.561 55.511 56.100 -0.047 0.000 0.889 1063 R CB 1.213 31.466 30.300 -0.078 0.000 1.243 1063 R HN 0.445 nan 8.270 nan 0.000 0.464 1064 D N -0.194 120.194 120.400 -0.019 0.000 3.639 1064 D HA -0.312 4.326 4.640 -0.003 0.000 0.162 1064 D C 0.622 176.896 176.300 -0.043 0.000 1.054 1064 D CA 1.953 55.968 54.000 0.024 0.000 1.085 1064 D CB -0.578 40.337 40.800 0.192 0.000 0.547 1064 D HN 0.587 nan 8.370 nan 0.000 0.595 1065 I N -0.029 120.496 120.570 -0.076 0.000 2.493 1065 I HA -0.042 4.126 4.170 -0.003 0.000 0.254 1065 I C 2.017 177.971 176.117 -0.272 0.000 1.160 1065 I CA 1.073 62.212 61.300 -0.268 0.000 1.445 1065 I CB -0.191 37.452 38.000 -0.596 0.000 1.086 1065 I HN 0.364 nan 8.210 nan 0.000 0.433 1066 V N 0.528 120.297 119.914 -0.241 0.000 2.358 1066 V HA -0.203 3.915 4.120 -0.003 0.000 0.246 1066 V C 2.452 178.439 176.094 -0.179 0.000 1.047 1066 V CA 1.887 64.054 62.300 -0.222 0.000 1.035 1066 V CB -1.022 30.643 31.823 -0.263 0.000 0.658 1066 V HN 0.688 nan 8.190 nan 0.000 0.452 1067 S N 0.416 115.952 115.700 -0.274 0.000 2.603 1067 S HA 0.280 4.748 4.470 -0.003 0.000 0.220 1067 S C 1.049 175.528 174.600 -0.202 0.000 0.967 1067 S CA 0.299 58.220 58.200 -0.465 0.000 0.920 1067 S CB -0.473 62.282 63.200 -0.742 0.000 0.773 1067 S HN 0.534 nan 8.310 nan 0.000 0.529 1068 A N 1.379 124.112 122.820 -0.144 0.000 2.540 1068 A HA 0.522 4.840 4.320 -0.003 0.000 0.239 1068 A C 0.842 178.397 177.584 -0.050 0.000 1.061 1068 A CA 0.189 52.168 52.037 -0.097 0.000 0.758 1068 A CB -0.432 18.499 19.000 -0.115 0.000 0.991 1068 A HN 0.603 nan 8.150 nan 0.000 0.502 1069 G N 1.299 110.080 108.800 -0.031 0.000 2.395 1069 G HA2 0.443 4.401 3.960 -0.003 0.000 0.283 1069 G HA3 0.443 4.401 3.960 -0.003 0.000 0.283 1069 G C 0.421 175.322 174.900 0.001 0.000 1.178 1069 G CA 0.332 45.432 45.100 0.000 0.000 0.837 1069 G HN 1.056 nan 8.290 nan 0.000 0.518 1070 S N 0.576 116.293 115.700 0.028 0.000 2.563 1070 S HA -0.045 4.423 4.470 -0.003 0.000 0.284 1070 S C 1.451 176.070 174.600 0.031 0.000 1.331 1070 S CA -0.552 57.676 58.200 0.047 0.000 1.047 1070 S CB 0.618 63.878 63.200 0.101 0.000 0.859 1070 S HN 0.570 nan 8.310 nan 0.000 0.514 1071 L N 5.122 126.335 121.223 -0.017 0.000 2.270 1071 L HA 0.205 4.543 4.340 -0.003 0.000 0.210 1071 L C 1.397 178.224 176.870 -0.072 0.000 1.104 1071 L CA 1.588 56.372 54.840 -0.094 0.000 0.804 1071 L CB -0.891 41.045 42.059 -0.205 0.000 0.937 1071 L HN 0.850 nan 8.230 nan 0.000 0.450 1072 Y N 0.093 120.431 120.300 0.063 0.000 2.133 1072 Y HA -0.057 4.491 4.550 -0.004 0.000 0.287 1072 Y C 1.416 177.389 175.900 0.121 0.000 1.134 1072 Y CA 0.958 59.110 58.100 0.086 0.000 1.133 1072 Y CB -0.465 38.055 38.460 0.100 0.000 0.987 1072 Y HN 0.052 nan 8.280 nan 0.000 0.502 1073 L N 0.000 121.410 121.223 0.312 0.000 2.949 1073 L HA 0.000 4.338 4.340 -0.003 0.000 0.249 1073 L CA 0.000 55.032 54.840 0.319 0.000 0.813 1073 L CB 0.000 42.219 42.059 0.266 0.000 0.961 1073 L HN 0.000 nan 8.230 nan 0.000 0.502