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 2wyn_1_A DATA FIRST_RESID 35 DATA SEQUENCE VTPQPPDILL GPLFNDVQNA KLFPDQKTFA DAVPNSDPLM ILADYRMQQN DATA SEQUENCE QXXFDLRHFV NVNFTLPKXX XXYVPPEGQS LREHIDGLWP VLTRSTENTE DATA SEQUENCE KWDSLLPLPE PYVVPGGRFR EVYYWDSYFT MLGLAESGHW DKVADMVANF DATA SEQUENCE AHEIDTYGHI PNGNRSYYLS RSQPPFFALM VELLAQHEGD AALKQYLPQM DATA SEQUENCE QKEYAYWMDG VENLQAGQQE KRVVKLQDGT LLNRYWDDRD TPRPESWVED DATA SEQUENCE IATAKSNPNR PATEIYRDLR SAAASGWDFS SRWMDNPQQL NTLRTTSIVP DATA SEQUENCE VDLNSLMFKM EKILARASKA AGDNAMANQY ETLANARQKG IEKYLWNDQQ DATA SEQUENCE GWYADYDLKS HKVRNQLTAA ALFPLYVNAA AKDRANKMAT ATKTHLLQPG DATA SEQUENCE GLNTTSVKSG QQWDAPNGWA PLQWVATEGL QNYGQKEVAM DISWHFLTNV DATA SEQUENCE QHTYDREKKL VEKYDVSTTG TGGGGGEYPL QDGFGWTNGV TLKMLDLIcP DATA SEQUENCE KEQPcDNVPA TR 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 35 V HA 0.000 nan 4.120 nan 0.000 0.244 35 V C 0.000 176.041 176.094 -0.089 0.000 1.182 35 V CA 0.000 62.256 62.300 -0.073 0.000 1.235 35 V CB 0.000 31.794 31.823 -0.048 0.000 1.184 36 T N 7.179 121.710 114.554 -0.039 0.000 2.905 36 T HA 0.171 4.522 4.350 0.001 0.000 0.299 36 T C -1.939 172.743 174.700 -0.030 0.000 1.024 36 T CA 0.142 62.227 62.100 -0.025 0.000 1.151 36 T CB 0.458 69.351 68.868 0.041 0.000 0.987 36 T HN 0.588 nan 8.240 nan 0.000 0.535 37 P HA 0.109 nan 4.420 nan 0.000 0.272 37 P C -0.039 177.276 177.300 0.024 0.000 1.223 37 P CA -0.609 62.515 63.100 0.040 0.000 0.784 37 P CB 0.617 32.370 31.700 0.090 0.000 0.923 38 Q N 1.550 121.382 119.800 0.053 0.000 2.584 38 Q HA 0.186 4.526 4.340 0.001 0.000 0.235 38 Q C -1.933 174.054 176.000 -0.021 0.000 1.079 38 Q CA -1.202 54.609 55.803 0.014 0.000 0.977 38 Q CB -1.129 27.625 28.738 0.027 0.000 1.293 38 Q HN 0.406 nan 8.270 nan 0.000 0.553 39 P HA 0.064 nan 4.420 nan 0.000 0.272 39 P C -1.988 175.197 177.300 -0.192 0.000 1.240 39 P CA -1.144 61.905 63.100 -0.086 0.000 0.791 39 P CB -0.219 31.449 31.700 -0.054 0.000 0.978 40 P HA -0.171 nan 4.420 nan 0.000 0.217 40 P C 1.078 177.904 177.300 -0.790 0.000 1.150 40 P CA 1.472 64.259 63.100 -0.523 0.000 0.832 40 P CB -0.324 30.979 31.700 -0.663 0.000 0.787 41 D N -0.408 119.349 120.400 -1.072 0.000 2.178 41 D HA -0.149 4.492 4.640 0.001 0.000 0.201 41 D C 1.644 177.780 176.300 -0.273 0.000 0.980 41 D CA 1.169 54.692 54.000 -0.796 0.000 0.842 41 D CB -0.673 39.758 40.800 -0.616 0.000 0.948 41 D HN 0.109 nan 8.370 nan 0.000 0.472 42 I N 0.167 120.624 120.570 -0.187 0.000 2.400 42 I HA -0.082 4.089 4.170 0.001 0.000 0.248 42 I C 2.491 178.579 176.117 -0.049 0.000 1.109 42 I CA 0.201 61.462 61.300 -0.065 0.000 1.425 42 I CB -0.961 37.020 38.000 -0.032 0.000 1.094 42 I HN 0.036 nan 8.210 nan 0.000 0.425 43 L N 0.809 121.988 121.223 -0.073 0.000 2.046 43 L HA -0.082 4.259 4.340 0.001 0.000 0.208 43 L C 2.017 178.867 176.870 -0.035 0.000 1.077 43 L CA 1.936 56.756 54.840 -0.033 0.000 0.747 43 L CB -0.457 41.594 42.059 -0.015 0.000 0.896 43 L HN 0.146 nan 8.230 nan 0.000 0.432 44 L N -1.567 119.639 121.223 -0.029 0.000 2.640 44 L HA 0.365 4.706 4.340 0.001 0.000 0.230 44 L C 1.385 178.293 176.870 0.064 0.000 1.123 44 L CA 0.115 54.988 54.840 0.055 0.000 0.900 44 L CB -0.680 41.476 42.059 0.162 0.000 1.146 44 L HN 0.386 nan 8.230 nan 0.000 0.484 45 G N 1.712 110.531 108.800 0.032 0.000 2.581 45 G HA2 -0.313 3.648 3.960 0.001 0.000 0.291 45 G HA3 -0.313 3.648 3.960 0.001 0.000 0.291 45 G C -1.732 173.221 174.900 0.087 0.000 1.277 45 G CA 0.202 45.338 45.100 0.060 0.000 0.959 45 G HN 0.205 nan 8.290 nan 0.000 0.554 46 P HA 0.043 nan 4.420 nan 0.000 0.225 46 P C 2.101 179.455 177.300 0.090 0.000 1.148 46 P CA 0.984 64.162 63.100 0.130 0.000 0.779 46 P CB -0.028 31.764 31.700 0.153 0.000 0.780 47 L N -1.041 120.199 121.223 0.029 0.000 2.042 47 L HA -0.150 4.190 4.340 0.001 0.000 0.210 47 L C 2.141 178.949 176.870 -0.102 0.000 1.076 47 L CA 1.807 56.509 54.840 -0.230 0.000 0.749 47 L CB -1.510 40.373 42.059 -0.293 0.000 0.893 47 L HN -0.118 nan 8.230 nan 0.000 0.432 48 F N 0.713 120.588 119.950 -0.125 0.000 2.069 48 F HA -0.291 4.236 4.527 0.001 0.000 0.298 48 F C 2.476 178.056 175.800 -0.367 0.000 1.113 48 F CA 2.132 60.040 58.000 -0.154 0.000 1.214 48 F CB -0.610 38.212 39.000 -0.297 0.000 0.978 48 F HN 0.398 nan 8.300 nan 0.000 0.474 49 N N 0.395 118.942 118.700 -0.255 0.000 2.061 49 N HA -0.245 4.495 4.740 0.001 0.000 0.193 49 N C 1.484 176.922 175.510 -0.120 0.000 1.030 49 N CA 2.241 55.176 53.050 -0.191 0.000 0.856 49 N CB -0.489 38.129 38.487 0.218 0.000 1.023 49 N HN 0.266 nan 8.380 nan 0.000 0.424 50 D N -0.663 119.682 120.400 -0.092 0.000 2.117 50 D HA -0.100 4.540 4.640 0.001 0.000 0.197 50 D C 2.029 178.206 176.300 -0.205 0.000 0.987 50 D CA 0.873 54.830 54.000 -0.071 0.000 0.829 50 D CB -0.428 40.384 40.800 0.021 0.000 0.961 50 D HN 0.161 nan 8.370 nan 0.000 0.460 51 V N 1.057 120.729 119.914 -0.403 0.000 2.379 51 V HA -0.184 3.936 4.120 0.001 0.000 0.245 51 V C 2.479 178.278 176.094 -0.492 0.000 1.044 51 V CA 1.264 63.214 62.300 -0.584 0.000 1.036 51 V CB -0.311 30.809 31.823 -1.170 0.000 0.664 51 V HN 0.141 nan 8.190 nan 0.000 0.453 52 Q N 0.211 119.701 119.800 -0.515 0.000 2.020 52 Q HA -0.161 4.180 4.340 0.001 0.000 0.202 52 Q C 2.198 178.143 176.000 -0.093 0.000 0.982 52 Q CA 1.460 57.066 55.803 -0.327 0.000 0.838 52 Q CB -0.691 27.766 28.738 -0.468 0.000 0.899 52 Q HN 0.601 nan 8.270 nan 0.000 0.423 53 N N 0.906 119.592 118.700 -0.024 0.000 2.205 53 N HA -0.114 4.626 4.740 0.001 0.000 0.186 53 N C 1.475 176.970 175.510 -0.026 0.000 1.015 53 N CA 1.351 54.426 53.050 0.042 0.000 0.862 53 N CB -0.282 38.257 38.487 0.086 0.000 0.986 53 N HN 0.259 nan 8.380 nan 0.000 0.429 54 A N 0.726 123.490 122.820 -0.095 0.000 2.209 54 A HA -0.011 4.310 4.320 0.001 0.000 0.212 54 A C 0.552 178.049 177.584 -0.145 0.000 1.158 54 A CA 0.244 52.212 52.037 -0.116 0.000 0.742 54 A CB -0.346 18.564 19.000 -0.151 0.000 0.790 54 A HN 0.320 nan 8.150 nan 0.000 0.472 55 K N -0.834 119.479 120.400 -0.145 0.000 3.156 55 K HA -0.198 4.122 4.320 0.001 0.000 0.266 55 K C 0.437 176.883 176.600 -0.257 0.000 0.966 55 K CA 0.591 56.795 56.287 -0.138 0.000 0.719 55 K CB -1.991 30.472 32.500 -0.061 0.000 1.333 55 K HN 0.568 nan 8.250 nan 0.000 0.468 56 L N -0.718 120.220 121.223 -0.475 0.000 2.187 56 L HA -0.101 4.239 4.340 0.001 0.000 0.213 56 L C 0.755 177.062 176.870 -0.939 0.000 1.100 56 L CA 1.201 55.563 54.840 -0.796 0.000 0.765 56 L CB -0.269 41.060 42.059 -1.216 0.000 0.904 56 L HN 0.167 nan 8.230 nan 0.000 0.437 57 F N -1.354 118.546 119.950 -0.083 0.000 2.532 57 F HA 0.369 4.896 4.527 0.001 0.000 0.321 57 F C -1.449 174.341 175.800 -0.016 0.000 1.089 57 F CA -2.388 55.589 58.000 -0.038 0.000 0.926 57 F CB 0.255 39.240 39.000 -0.025 0.000 1.168 57 F HN -0.311 nan 8.300 nan 0.000 0.459 58 P HA -0.056 nan 4.420 nan 0.000 0.233 58 P C -0.324 177.049 177.300 0.121 0.000 1.167 58 P CA 0.954 64.118 63.100 0.106 0.000 0.770 58 P CB 0.431 32.183 31.700 0.087 0.000 0.837 59 D N -0.213 120.273 120.400 0.143 0.000 2.391 59 D HA 0.086 4.726 4.640 0.001 0.000 0.245 59 D C 1.092 177.469 176.300 0.128 0.000 1.069 59 D CA -0.446 53.627 54.000 0.123 0.000 0.831 59 D CB 1.385 42.235 40.800 0.082 0.000 1.204 59 D HN -0.244 nan 8.370 nan 0.000 0.503 60 Q N 2.535 122.412 119.800 0.128 0.000 2.291 60 Q HA -0.146 4.194 4.340 0.001 0.000 0.206 60 Q C 1.309 177.359 176.000 0.084 0.000 0.976 60 Q CA 0.832 56.708 55.803 0.122 0.000 0.875 60 Q CB 0.147 28.979 28.738 0.156 0.000 0.927 60 Q HN 0.537 nan 8.270 nan 0.000 0.450 61 K N 0.262 120.693 120.400 0.051 0.000 2.288 61 K HA -0.064 4.257 4.320 0.001 0.000 0.201 61 K C 1.773 178.367 176.600 -0.010 0.000 1.048 61 K CA 1.008 57.290 56.287 -0.009 0.000 0.956 61 K CB 0.235 32.728 32.500 -0.010 0.000 0.746 61 K HN 0.039 nan 8.250 nan 0.000 0.461 62 T N 0.598 115.150 114.554 -0.003 0.000 2.652 62 T HA -0.170 4.181 4.350 0.001 0.000 0.267 62 T C 1.262 175.895 174.700 -0.112 0.000 1.039 62 T CA 1.437 63.484 62.100 -0.088 0.000 1.153 62 T CB -0.324 68.460 68.868 -0.140 0.000 0.863 62 T HN 0.256 nan 8.240 nan 0.000 0.428 63 F N 1.742 121.572 119.950 -0.200 0.000 2.456 63 F HA 0.309 4.837 4.527 0.001 0.000 0.298 63 F C 2.319 178.113 175.800 -0.009 0.000 1.104 63 F CA 0.086 57.966 58.000 -0.200 0.000 1.435 63 F CB -0.597 38.285 39.000 -0.196 0.000 1.078 63 F HN 0.124 nan 8.300 nan 0.000 0.546 64 A N -0.440 122.393 122.820 0.022 0.000 1.978 64 A HA -0.186 4.134 4.320 0.001 0.000 0.220 64 A C 1.615 179.210 177.584 0.017 0.000 1.170 64 A CA 2.038 54.084 52.037 0.015 0.000 0.636 64 A CB -0.660 18.175 19.000 -0.276 0.000 0.810 64 A HN 0.346 nan 8.150 nan 0.000 0.448 65 D N -0.521 119.873 120.400 -0.010 0.000 2.340 65 D HA 0.372 5.012 4.640 0.001 0.000 0.217 65 D C 0.636 176.899 176.300 -0.062 0.000 1.081 65 D CA 0.595 54.606 54.000 0.018 0.000 0.842 65 D CB 0.027 40.848 40.800 0.035 0.000 0.934 65 D HN 0.433 nan 8.370 nan 0.000 0.511 66 A N 0.384 123.095 122.820 -0.181 0.000 2.445 66 A HA 0.343 4.663 4.320 0.001 0.000 0.242 66 A C 0.208 177.801 177.584 0.016 0.000 1.075 66 A CA -0.146 51.812 52.037 -0.131 0.000 0.777 66 A CB 0.636 19.421 19.000 -0.359 0.000 1.013 66 A HN -0.003 nan 8.150 nan 0.000 0.493 67 V N 4.453 124.439 119.914 0.120 0.000 2.357 67 V HA 0.294 4.415 4.120 0.001 0.000 0.284 67 V C -2.324 173.842 176.094 0.120 0.000 1.018 67 V CA -1.680 60.689 62.300 0.116 0.000 0.841 67 V CB 1.208 33.069 31.823 0.063 0.000 0.991 67 V HN 0.768 nan 8.190 nan 0.000 0.437 68 P HA 0.079 nan 4.420 nan 0.000 0.264 68 P C 0.317 177.479 177.300 -0.230 0.000 1.183 68 P CA 0.246 63.139 63.100 -0.345 0.000 0.763 68 P CB 0.518 32.059 31.700 -0.266 0.000 0.807 69 N N 0.034 118.518 118.700 -0.360 0.000 2.463 69 N HA -0.010 4.731 4.740 0.001 0.000 0.181 69 N C 0.461 175.885 175.510 -0.144 0.000 1.078 69 N CA 0.568 53.501 53.050 -0.194 0.000 0.902 69 N CB -0.012 38.354 38.487 -0.203 0.000 0.970 69 N HN 0.524 nan 8.380 nan 0.000 0.451 70 S N -1.624 113.945 115.700 -0.219 0.000 2.688 70 S HA 0.181 4.651 4.470 0.001 0.000 0.275 70 S C -1.203 173.185 174.600 -0.353 0.000 1.175 70 S CA -1.008 57.093 58.200 -0.165 0.000 0.818 70 S CB 1.665 64.770 63.200 -0.159 0.000 1.157 70 S HN -0.084 nan 8.310 nan 0.000 0.482 71 D N 1.815 122.014 120.400 -0.334 0.000 2.502 71 D HA 0.202 4.842 4.640 0.001 0.000 0.249 71 D C -1.474 174.426 176.300 -0.667 0.000 1.188 71 D CA -1.308 52.272 54.000 -0.702 0.000 0.890 71 D CB 0.904 41.526 40.800 -0.297 0.000 1.140 71 D HN 0.158 nan 8.370 nan 0.000 0.505 72 P HA -0.168 nan 4.420 nan 0.000 0.217 72 P C 1.718 178.856 177.300 -0.269 0.000 1.148 72 P CA 0.664 63.487 63.100 -0.462 0.000 0.828 72 P CB 0.138 31.572 31.700 -0.444 0.000 0.783 73 L N -1.997 119.036 121.223 -0.318 0.000 2.083 73 L HA -0.175 4.166 4.340 0.001 0.000 0.209 73 L C 2.093 178.914 176.870 -0.081 0.000 1.083 73 L CA 1.773 56.524 54.840 -0.148 0.000 0.752 73 L CB -0.461 41.522 42.059 -0.127 0.000 0.899 73 L HN -0.087 nan 8.230 nan 0.000 0.433 74 M N -0.735 118.798 119.600 -0.112 0.000 2.236 74 M HA -0.103 4.377 4.480 0.001 0.000 0.266 74 M C 2.331 178.634 176.300 0.004 0.000 1.070 74 M CA 1.506 56.778 55.300 -0.047 0.000 1.137 74 M CB -0.870 31.692 32.600 -0.064 0.000 1.378 74 M HN 0.281 nan 8.290 nan 0.000 0.426 75 I N 0.315 120.865 120.570 -0.034 0.000 2.208 75 I HA -0.313 3.857 4.170 0.001 0.000 0.245 75 I C 2.433 178.710 176.117 0.267 0.000 1.097 75 I CA 0.976 62.329 61.300 0.088 0.000 1.363 75 I CB -0.530 37.452 38.000 -0.030 0.000 1.051 75 I HN 0.202 nan 8.210 nan 0.000 0.413 76 L N 1.176 122.495 121.223 0.159 0.000 2.046 76 L HA -0.151 4.190 4.340 0.001 0.000 0.208 76 L C 2.557 179.534 176.870 0.179 0.000 1.077 76 L CA 2.151 57.105 54.840 0.189 0.000 0.747 76 L CB -0.771 41.352 42.059 0.107 0.000 0.896 76 L HN 0.185 nan 8.230 nan 0.000 0.432 77 A N -0.901 121.985 122.820 0.110 0.000 1.902 77 A HA -0.258 4.062 4.320 0.001 0.000 0.217 77 A C 2.117 179.752 177.584 0.086 0.000 1.181 77 A CA 1.825 53.904 52.037 0.071 0.000 0.623 77 A CB -0.936 18.088 19.000 0.041 0.000 0.818 77 A HN 0.569 nan 8.150 nan 0.000 0.443 78 D N -1.850 118.647 120.400 0.162 0.000 2.117 78 D HA -0.183 4.458 4.640 0.001 0.000 0.198 78 D C 1.714 178.142 176.300 0.213 0.000 0.982 78 D CA 1.369 55.501 54.000 0.219 0.000 0.828 78 D CB -0.354 40.634 40.800 0.313 0.000 0.967 78 D HN 0.463 nan 8.370 nan 0.000 0.464 79 Y N 1.295 121.622 120.300 0.045 0.000 2.128 79 Y HA -0.168 4.383 4.550 0.001 0.000 0.284 79 Y C 2.128 177.790 175.900 -0.397 0.000 1.154 79 Y CA 1.680 59.518 58.100 -0.436 0.000 1.149 79 Y CB -0.202 38.034 38.460 -0.373 0.000 0.976 79 Y HN -0.141 nan 8.280 nan 0.000 0.505 80 R N -0.091 120.245 120.500 -0.274 0.000 2.073 80 R HA -0.198 4.142 4.340 0.001 0.000 0.234 80 R C 2.473 178.577 176.300 -0.326 0.000 1.134 80 R CA 1.650 57.532 56.100 -0.363 0.000 0.952 80 R CB -1.281 28.928 30.300 -0.151 0.000 0.850 80 R HN 0.452 nan 8.270 nan 0.000 0.433 81 M N 1.224 120.715 119.600 -0.181 0.000 2.080 81 M HA -0.206 4.274 4.480 0.001 0.000 0.260 81 M C 1.719 177.910 176.300 -0.181 0.000 1.068 81 M CA 1.851 57.074 55.300 -0.129 0.000 1.109 81 M CB -0.369 32.207 32.600 -0.039 0.000 1.342 81 M HN 0.172 nan 8.290 nan 0.000 0.405 82 Q N -0.529 119.136 119.800 -0.226 0.000 2.172 82 Q HA -0.161 4.180 4.340 0.001 0.000 0.200 82 Q C 1.944 177.644 176.000 -0.500 0.000 0.964 82 Q CA 1.102 56.784 55.803 -0.202 0.000 0.855 82 Q CB -0.154 28.602 28.738 0.029 0.000 0.918 82 Q HN 0.660 nan 8.270 nan 0.000 0.444 83 Q N 0.485 119.731 119.800 -0.923 0.000 2.297 83 Q HA -0.146 4.194 4.340 0.001 0.000 0.208 83 Q C 0.459 176.207 176.000 -0.420 0.000 0.981 83 Q CA 0.992 56.242 55.803 -0.923 0.000 0.876 83 Q CB -0.019 28.130 28.738 -0.981 0.000 0.921 83 Q HN 0.362 nan 8.270 nan 0.000 0.446 84 N N -0.225 118.294 118.700 -0.302 0.000 2.279 84 N HA 0.039 4.780 4.740 0.001 0.000 0.226 84 N C -0.615 174.837 175.510 -0.097 0.000 1.126 84 N CA -0.068 52.880 53.050 -0.169 0.000 0.846 84 N CB 0.582 38.980 38.487 -0.149 0.000 1.050 84 N HN 0.068 nan 8.380 nan 0.000 0.502 89 D N 6.351 126.251 120.400 -0.832 0.000 2.505 89 D HA 0.194 4.834 4.640 0.001 0.000 0.250 89 D C 0.241 176.091 176.300 -0.751 0.000 1.164 89 D CA -0.388 53.267 54.000 -0.574 0.000 0.870 89 D CB 1.976 42.647 40.800 -0.215 0.000 1.160 89 D HN 0.657 nan 8.370 nan 0.000 0.549 90 L N 5.564 126.445 121.223 -0.570 0.000 1.989 90 L HA -0.058 4.282 4.340 0.001 0.000 0.211 90 L C 2.429 179.243 176.870 -0.094 0.000 1.071 90 L CA 1.881 56.575 54.840 -0.243 0.000 0.749 90 L CB -0.543 41.494 42.059 -0.037 0.000 0.890 90 L HN 0.527 nan 8.230 nan 0.000 0.431 91 R N -1.726 118.700 120.500 -0.122 0.000 2.119 91 R HA -0.300 4.040 4.340 0.001 0.000 0.246 91 R C 2.475 178.785 176.300 0.017 0.000 1.146 91 R CA 2.064 58.113 56.100 -0.085 0.000 0.962 91 R CB -0.493 29.745 30.300 -0.104 0.000 0.863 91 R HN 0.665 nan 8.270 nan 0.000 0.442 92 H N -0.870 118.162 119.070 -0.063 0.000 2.395 92 H HA -0.127 4.430 4.556 0.001 0.000 0.299 92 H C 1.623 176.984 175.328 0.056 0.000 1.070 92 H CA 1.892 57.930 56.048 -0.017 0.000 1.356 92 H CB -0.300 29.433 29.762 -0.049 0.000 1.401 92 H HN 0.303 nan 8.280 nan 0.000 0.524 93 F N -0.046 119.811 119.950 -0.155 0.000 2.186 93 F HA -0.113 4.415 4.527 0.001 0.000 0.299 93 F C 2.054 177.883 175.800 0.049 0.000 1.090 93 F CA 1.201 59.177 58.000 -0.040 0.000 1.307 93 F CB -0.409 38.705 39.000 0.189 0.000 1.019 93 F HN 0.061 nan 8.300 nan 0.000 0.489 94 V N 0.904 120.942 119.914 0.207 0.000 2.307 94 V HA -0.306 3.815 4.120 0.001 0.000 0.245 94 V C 2.137 178.354 176.094 0.205 0.000 1.045 94 V CA 2.080 64.536 62.300 0.259 0.000 1.024 94 V CB -0.823 31.059 31.823 0.098 0.000 0.651 94 V HN 0.352 nan 8.190 nan 0.000 0.449 95 N N 0.261 118.999 118.700 0.062 0.000 2.149 95 N HA -0.128 4.613 4.740 0.001 0.000 0.188 95 N C 1.701 177.173 175.510 -0.063 0.000 1.019 95 N CA 1.332 54.401 53.050 0.032 0.000 0.857 95 N CB -0.449 38.050 38.487 0.020 0.000 0.997 95 N HN 0.372 nan 8.380 nan 0.000 0.426 96 V N 1.325 121.103 119.914 -0.227 0.000 2.548 96 V HA -0.065 4.055 4.120 0.001 0.000 0.249 96 V C 1.481 177.424 176.094 -0.252 0.000 1.055 96 V CA 1.231 63.371 62.300 -0.267 0.000 1.065 96 V CB -0.224 31.362 31.823 -0.395 0.000 0.681 96 V HN 0.360 nan 8.190 nan 0.000 0.462 97 N N -1.483 117.048 118.700 -0.282 0.000 2.220 97 N HA 0.212 4.952 4.740 0.001 0.000 0.195 97 N C -0.322 174.807 175.510 -0.635 0.000 1.123 97 N CA 0.236 53.004 53.050 -0.470 0.000 0.874 97 N CB 0.889 38.960 38.487 -0.693 0.000 0.995 97 N HN 0.382 nan 8.380 nan 0.000 0.498 98 F N -0.013 119.909 119.950 -0.047 0.000 2.588 98 F HA 0.342 4.869 4.527 0.001 0.000 0.314 98 F C 0.149 175.953 175.800 0.006 0.000 1.069 98 F CA -0.757 57.252 58.000 0.016 0.000 0.931 98 F CB 1.854 40.940 39.000 0.143 0.000 1.260 98 F HN -0.398 nan 8.300 nan 0.000 0.465 99 T N 3.684 118.338 114.554 0.166 0.000 2.771 99 T HA 0.600 4.951 4.350 0.001 0.000 0.281 99 T C -0.277 174.471 174.700 0.079 0.000 0.982 99 T CA -0.521 61.635 62.100 0.092 0.000 0.978 99 T CB 0.602 69.495 68.868 0.042 0.000 0.930 99 T HN 0.272 nan 8.240 nan 0.000 0.447 100 L N 4.258 125.502 121.223 0.035 0.000 2.379 100 L HA 0.464 4.804 4.340 0.001 0.000 0.269 100 L C -1.813 175.026 176.870 -0.050 0.000 1.084 100 L CA -2.296 52.513 54.840 -0.052 0.000 0.802 100 L CB 0.074 42.051 42.059 -0.137 0.000 1.175 100 L HN 0.373 nan 8.230 nan 0.000 0.448 101 P HA 0.250 nan 4.420 nan 0.000 0.266 101 P C -0.510 176.770 177.300 -0.034 0.000 1.195 101 P CA 0.057 63.131 63.100 -0.044 0.000 0.768 101 P CB 0.499 32.168 31.700 -0.052 0.000 0.838 108 V N 7.556 127.068 119.914 -0.671 0.000 2.525 108 V HA 0.532 4.652 4.120 0.001 0.000 0.299 108 V C -2.203 173.370 176.094 -0.868 0.000 1.034 108 V CA -1.548 60.428 62.300 -0.540 0.000 0.863 108 V CB 1.927 33.601 31.823 -0.249 0.000 0.999 108 V HN 0.661 nan 8.190 nan 0.000 0.423 109 P HA 0.349 nan 4.420 nan 0.000 0.272 109 P C -2.689 174.526 177.300 -0.142 0.000 1.230 109 P CA -1.138 61.794 63.100 -0.279 0.000 0.788 109 P CB -0.061 31.707 31.700 0.113 0.000 0.949 110 P HA 0.114 nan 4.420 nan 0.000 0.272 110 P C 0.154 177.463 177.300 0.014 0.000 1.240 110 P CA -0.160 62.932 63.100 -0.013 0.000 0.791 110 P CB 0.340 32.053 31.700 0.023 0.000 0.978 111 E N 0.760 120.962 120.200 0.003 0.000 2.408 111 E HA 0.069 4.420 4.350 0.001 0.000 0.259 111 E C 0.957 177.575 176.600 0.030 0.000 1.110 111 E CA 0.638 57.042 56.400 0.006 0.000 0.929 111 E CB -0.044 29.654 29.700 -0.004 0.000 0.971 111 E HN 0.727 nan 8.360 nan 0.000 0.438 112 G N 3.146 111.961 108.800 0.024 0.000 2.380 112 G HA2 -0.334 3.627 3.960 0.001 0.000 0.298 112 G HA3 -0.334 3.627 3.960 0.001 0.000 0.298 112 G C 0.198 175.146 174.900 0.081 0.000 0.989 112 G CA 1.034 46.157 45.100 0.039 0.000 0.836 112 G HN 0.556 nan 8.290 nan 0.000 0.511 113 Q N 0.491 120.371 119.800 0.134 0.000 2.332 113 Q HA 0.412 4.753 4.340 0.001 0.000 0.263 113 Q C 1.200 177.342 176.000 0.236 0.000 0.979 113 Q CA 0.263 56.173 55.803 0.178 0.000 0.885 113 Q CB 0.854 29.732 28.738 0.234 0.000 1.218 113 Q HN 0.638 nan 8.270 nan 0.000 0.405 114 S N 1.569 117.358 115.700 0.148 0.000 2.587 114 S HA -0.045 4.426 4.470 0.001 0.000 0.260 114 S C 0.993 175.596 174.600 0.005 0.000 1.353 114 S CA -0.623 57.651 58.200 0.124 0.000 0.995 114 S CB 0.500 63.731 63.200 0.051 0.000 0.912 114 S HN 0.668 nan 8.310 nan 0.000 0.568 115 L N 1.073 122.192 121.223 -0.173 0.000 1.990 115 L HA -0.100 4.241 4.340 0.001 0.000 0.213 115 L C 2.816 179.497 176.870 -0.316 0.000 1.072 115 L CA 2.195 56.686 54.840 -0.581 0.000 0.755 115 L CB -0.965 40.858 42.059 -0.394 0.000 0.889 115 L HN 0.920 nan 8.230 nan 0.000 0.432 116 R N -0.498 119.906 120.500 -0.161 0.000 2.083 116 R HA -0.201 4.140 4.340 0.001 0.000 0.237 116 R C 2.186 178.441 176.300 -0.075 0.000 1.137 116 R CA 2.055 58.094 56.100 -0.103 0.000 0.951 116 R CB -0.279 29.988 30.300 -0.055 0.000 0.851 116 R HN 0.568 nan 8.270 nan 0.000 0.434 117 E N -1.261 118.918 120.200 -0.035 0.000 2.110 117 E HA -0.248 4.103 4.350 0.001 0.000 0.193 117 E C 1.891 178.478 176.600 -0.021 0.000 0.988 117 E CA 1.517 57.915 56.400 -0.003 0.000 0.804 117 E CB -0.199 29.523 29.700 0.037 0.000 0.745 117 E HN 0.522 nan 8.360 nan 0.000 0.458 118 H N 0.632 119.626 119.070 -0.127 0.000 2.321 118 H HA -0.072 4.484 4.556 0.001 0.000 0.300 118 H C 1.967 177.160 175.328 -0.226 0.000 1.087 118 H CA 1.707 57.682 56.048 -0.121 0.000 1.319 118 H CB -0.055 29.604 29.762 -0.172 0.000 1.379 118 H HN 0.049 nan 8.280 nan 0.000 0.501 119 I N 0.488 120.912 120.570 -0.243 0.000 2.163 119 I HA -0.273 3.897 4.170 0.001 0.000 0.243 119 I C 1.780 177.494 176.117 -0.671 0.000 1.085 119 I CA 1.615 62.638 61.300 -0.462 0.000 1.347 119 I CB -0.197 37.596 38.000 -0.345 0.000 1.044 119 I HN 0.367 nan 8.210 nan 0.000 0.408 120 D N 0.592 120.793 120.400 -0.331 0.000 2.178 120 D HA -0.109 4.532 4.640 0.001 0.000 0.202 120 D C 2.162 178.361 176.300 -0.168 0.000 0.974 120 D CA 1.413 55.326 54.000 -0.146 0.000 0.841 120 D CB -0.413 40.440 40.800 0.088 0.000 0.953 120 D HN 0.412 nan 8.370 nan 0.000 0.478 121 G N 0.078 108.755 108.800 -0.206 0.000 2.572 121 G HA2 -0.099 3.862 3.960 0.001 0.000 0.216 121 G HA3 -0.099 3.862 3.960 0.001 0.000 0.216 121 G C 1.616 176.371 174.900 -0.241 0.000 1.133 121 G CA -0.073 44.939 45.100 -0.146 0.000 0.791 121 G HN 0.248 nan 8.290 nan 0.000 0.538 122 L N -1.081 119.859 121.223 -0.471 0.000 2.418 122 L HA 0.119 4.459 4.340 0.001 0.000 0.218 122 L C 2.453 179.095 176.870 -0.380 0.000 1.125 122 L CA 0.014 54.544 54.840 -0.517 0.000 0.835 122 L CB -0.190 41.480 42.059 -0.649 0.000 0.953 122 L HN 0.370 nan 8.230 nan 0.000 0.454 123 W N 0.868 122.020 121.300 -0.247 0.000 2.318 123 W HA -0.204 4.456 4.660 0.000 0.000 0.313 123 W C -0.374 175.997 176.519 -0.247 0.000 1.221 123 W CA 0.472 57.652 57.345 -0.275 0.000 1.266 123 W CB -1.786 27.432 29.460 -0.403 0.000 1.150 123 W HN 0.127 nan 8.180 nan 0.000 0.496 124 P HA -0.142 nan 4.420 nan 0.000 0.219 124 P C 1.522 178.770 177.300 -0.086 0.000 1.150 124 P CA 1.487 64.560 63.100 -0.045 0.000 0.814 124 P CB -0.143 31.539 31.700 -0.030 0.000 0.787 125 V N -0.631 119.195 119.914 -0.147 0.000 2.515 125 V HA -0.163 3.958 4.120 0.001 0.000 0.250 125 V C 2.143 178.128 176.094 -0.182 0.000 1.058 125 V CA 1.485 63.659 62.300 -0.210 0.000 1.064 125 V CB -1.121 30.431 31.823 -0.452 0.000 0.675 125 V HN 0.101 nan 8.190 nan 0.000 0.461 126 L N -0.443 120.688 121.223 -0.154 0.000 2.599 126 L HA 0.071 4.412 4.340 0.001 0.000 0.230 126 L C 0.786 177.605 176.870 -0.085 0.000 1.141 126 L CA 0.270 55.047 54.840 -0.104 0.000 0.877 126 L CB -0.394 41.627 42.059 -0.063 0.000 1.009 126 L HN 0.257 nan 8.230 nan 0.000 0.447 127 T N 1.581 116.071 114.554 -0.107 0.000 2.845 127 T HA 0.402 4.753 4.350 0.001 0.000 0.288 127 T C 0.186 174.726 174.700 -0.266 0.000 0.980 127 T CA -0.477 61.523 62.100 -0.168 0.000 1.071 127 T CB 1.097 69.887 68.868 -0.130 0.000 0.941 127 T HN 0.048 nan 8.240 nan 0.000 0.487 128 R N 1.470 121.668 120.500 -0.504 0.000 2.854 128 R HA 0.706 5.047 4.340 0.001 0.000 0.271 128 R C -0.673 175.238 176.300 -0.648 0.000 0.996 128 R CA -0.863 54.893 56.100 -0.574 0.000 0.961 128 R CB 1.921 31.836 30.300 -0.642 0.000 1.182 128 R HN 0.582 nan 8.270 nan 0.000 0.479 129 S N 0.009 115.501 115.700 -0.346 0.000 2.756 129 S HA 0.415 4.885 4.470 0.001 0.000 0.303 129 S C -1.062 173.500 174.600 -0.063 0.000 1.135 129 S CA -0.306 57.787 58.200 -0.178 0.000 1.066 129 S CB 0.858 63.991 63.200 -0.112 0.000 1.008 129 S HN 0.479 nan 8.310 nan 0.000 0.482 130 T N 4.712 119.301 114.554 0.059 0.000 3.583 130 T HA 0.258 4.609 4.350 0.001 0.000 0.266 130 T C 0.659 175.394 174.700 0.060 0.000 1.296 130 T CA -0.396 61.755 62.100 0.085 0.000 1.668 130 T CB 0.586 69.564 68.868 0.184 0.000 0.832 130 T HN 0.705 nan 8.240 nan 0.000 0.649 131 E N 1.457 121.664 120.200 0.010 0.000 2.285 131 E HA 0.060 4.411 4.350 0.001 0.000 0.194 131 E C 0.525 177.106 176.600 -0.032 0.000 0.997 131 E CA 0.514 56.899 56.400 -0.025 0.000 0.845 131 E CB 0.317 29.995 29.700 -0.037 0.000 0.782 131 E HN 0.429 nan 8.360 nan 0.000 0.491 132 N N 0.461 119.148 118.700 -0.021 0.000 2.229 132 N HA 0.231 4.972 4.740 0.001 0.000 0.298 132 N C -0.710 174.788 175.510 -0.021 0.000 1.114 132 N CA -0.186 52.847 53.050 -0.028 0.000 0.776 132 N CB 2.261 40.729 38.487 -0.031 0.000 1.501 132 N HN -0.052 nan 8.380 nan 0.000 0.474 133 T N -2.759 111.777 114.554 -0.030 0.000 2.883 133 T HA 0.412 4.763 4.350 0.001 0.000 0.296 133 T C -0.216 174.458 174.700 -0.044 0.000 1.117 133 T CA -0.793 61.291 62.100 -0.027 0.000 1.006 133 T CB 2.000 70.854 68.868 -0.024 0.000 1.191 133 T HN 0.276 nan 8.240 nan 0.000 0.508 134 E N 0.493 120.674 120.200 -0.031 0.000 2.425 134 E HA 0.104 4.455 4.350 0.001 0.000 0.258 134 E C 1.039 177.584 176.600 -0.090 0.000 1.151 134 E CA -0.338 56.039 56.400 -0.039 0.000 0.958 134 E CB 0.725 30.429 29.700 0.007 0.000 0.968 134 E HN 0.723 nan 8.360 nan 0.000 0.451 135 K N 1.270 121.565 120.400 -0.176 0.000 2.147 135 K HA -0.146 4.174 4.320 0.001 0.000 0.205 135 K C 0.586 176.879 176.600 -0.512 0.000 1.049 135 K CA 1.363 57.386 56.287 -0.441 0.000 0.936 135 K CB 0.119 32.188 32.500 -0.718 0.000 0.722 135 K HN 0.520 nan 8.250 nan 0.000 0.446 136 W N 1.037 122.314 121.300 -0.038 0.000 2.991 136 W HA 0.219 4.880 4.660 0.001 0.000 0.391 136 W C -0.165 176.328 176.519 -0.043 0.000 1.054 136 W CA -1.013 56.307 57.345 -0.040 0.000 1.856 136 W CB 0.261 29.696 29.460 -0.042 0.000 1.132 136 W HN -0.100 nan 8.180 nan 0.000 0.601 137 D N 0.766 121.223 120.400 0.095 0.000 2.455 137 D HA -0.043 4.597 4.640 0.001 0.000 0.241 137 D C 1.638 177.937 176.300 -0.001 0.000 1.138 137 D CA 0.698 54.723 54.000 0.042 0.000 0.877 137 D CB 1.493 42.297 40.800 0.006 0.000 1.187 137 D HN 0.059 nan 8.370 nan 0.000 0.451 138 S N 3.650 119.338 115.700 -0.021 0.000 2.423 138 S HA -0.143 4.328 4.470 0.001 0.000 0.231 138 S C 1.138 175.633 174.600 -0.175 0.000 1.014 138 S CA -0.139 58.002 58.200 -0.099 0.000 0.965 138 S CB -0.119 63.047 63.200 -0.056 0.000 0.785 138 S HN 0.443 nan 8.310 nan 0.000 0.495 139 L N 2.501 123.660 121.223 -0.108 0.000 2.499 139 L HA 0.365 4.706 4.340 0.001 0.000 0.273 139 L C -0.564 176.253 176.870 -0.088 0.000 1.195 139 L CA 0.130 54.910 54.840 -0.101 0.000 0.882 139 L CB 0.179 42.220 42.059 -0.029 0.000 1.133 139 L HN 0.311 nan 8.230 nan 0.000 0.483 140 L N 7.393 128.553 121.223 -0.104 0.000 2.317 140 L HA 0.559 4.900 4.340 0.001 0.000 0.281 140 L C -2.033 174.820 176.870 -0.027 0.000 1.024 140 L CA -2.043 52.763 54.840 -0.057 0.000 0.810 140 L CB 1.418 43.438 42.059 -0.065 0.000 1.240 140 L HN 0.533 nan 8.230 nan 0.000 0.427 141 P HA 0.273 nan 4.420 nan 0.000 0.272 141 P C -1.095 176.185 177.300 -0.032 0.000 1.223 141 P CA -0.129 62.966 63.100 -0.008 0.000 0.784 141 P CB 1.125 32.816 31.700 -0.015 0.000 0.923 142 L N 3.264 124.446 121.223 -0.067 0.000 2.388 142 L HA 0.388 4.729 4.340 0.001 0.000 0.264 142 L C -1.444 175.327 176.870 -0.165 0.000 0.998 142 L CA -2.149 52.597 54.840 -0.157 0.000 0.817 142 L CB 2.938 44.865 42.059 -0.219 0.000 1.338 142 L HN 0.157 nan 8.230 nan 0.000 0.414 143 P HA -0.026 nan 4.420 nan 0.000 0.222 143 P C -0.175 177.063 177.300 -0.103 0.000 1.153 143 P CA 1.118 64.079 63.100 -0.232 0.000 0.798 143 P CB 0.631 32.134 31.700 -0.329 0.000 0.796 144 E N -0.563 119.600 120.200 -0.062 0.000 2.339 144 E HA 0.462 4.812 4.350 0.001 0.000 0.262 144 E C -2.677 173.962 176.600 0.066 0.000 0.934 144 E CA -2.777 53.618 56.400 -0.008 0.000 0.802 144 E CB 0.446 30.139 29.700 -0.012 0.000 1.275 144 E HN -0.055 nan 8.360 nan 0.000 0.427 145 P HA 0.088 nan 4.420 nan 0.000 0.270 145 P C -1.079 176.255 177.300 0.058 0.000 1.223 145 P CA 0.334 63.416 63.100 -0.031 0.000 0.785 145 P CB 0.095 31.748 31.700 -0.079 0.000 0.923 146 Y N -2.313 117.935 120.300 -0.087 0.000 2.581 146 Y HA 0.651 5.202 4.550 0.002 0.000 0.337 146 Y C -1.342 174.525 175.900 -0.055 0.000 1.108 146 Y CA -1.631 56.412 58.100 -0.095 0.000 1.033 146 Y CB 0.514 38.896 38.460 -0.129 0.000 1.318 146 Y HN -0.026 nan 8.280 nan 0.000 0.459 147 V N 3.757 123.724 119.914 0.088 0.000 2.465 147 V HA 0.550 4.671 4.120 0.001 0.000 0.279 147 V C 0.224 176.408 176.094 0.150 0.000 1.045 147 V CA -0.559 61.773 62.300 0.054 0.000 0.938 147 V CB 1.120 32.977 31.823 0.057 0.000 0.986 147 V HN 0.835 nan 8.190 nan 0.000 0.467 148 V N 3.400 123.370 119.914 0.093 0.000 2.966 148 V HA 0.555 4.675 4.120 0.001 0.000 0.317 148 V C -1.960 174.108 176.094 -0.044 0.000 1.070 148 V CA -1.812 60.569 62.300 0.135 0.000 1.008 148 V CB 1.360 33.291 31.823 0.179 0.000 1.070 148 V HN 0.602 nan 8.190 nan 0.000 0.457 149 P HA 0.216 nan 4.420 nan 0.000 0.216 149 P C 0.660 177.512 177.300 -0.748 0.000 1.153 149 P CA 1.949 64.613 63.100 -0.727 0.000 0.848 149 P CB -0.153 30.941 31.700 -1.010 0.000 0.787 150 G N -3.724 104.940 108.800 -0.226 0.000 2.334 150 G HA2 0.395 4.356 3.960 0.001 0.000 0.566 150 G HA3 0.395 4.356 3.960 0.001 0.000 0.566 150 G C 0.111 175.118 174.900 0.179 0.000 1.413 150 G CA -0.202 44.885 45.100 -0.021 0.000 0.993 150 G HN 0.427 nan 8.290 nan 0.000 0.642 151 G N 0.759 109.631 108.800 0.121 0.000 2.611 151 G HA2 -0.179 3.781 3.960 0.001 0.000 0.301 151 G HA3 -0.179 3.781 3.960 0.001 0.000 0.301 151 G C 1.537 176.420 174.900 -0.028 0.000 1.233 151 G CA 2.036 47.182 45.100 0.077 0.000 0.993 151 G HN 2.269 nan 8.290 nan 0.000 0.553 152 R N 0.185 120.559 120.500 -0.210 0.000 2.285 152 R HA 0.116 4.456 4.340 0.001 0.000 0.213 152 R C 0.598 176.682 176.300 -0.359 0.000 1.068 152 R CA 1.277 57.177 56.100 -0.334 0.000 1.004 152 R CB -0.285 29.720 30.300 -0.491 0.000 0.873 152 R HN 0.297 nan 8.270 nan 0.000 0.467 153 F N 2.159 122.172 119.950 0.104 0.000 2.567 153 F HA 0.352 4.879 4.527 0.001 0.000 0.352 153 F C 0.676 176.599 175.800 0.204 0.000 1.229 153 F CA -0.723 57.379 58.000 0.171 0.000 1.228 153 F CB 0.762 39.734 39.000 -0.046 0.000 1.568 153 F HN -0.173 nan 8.300 nan 0.000 0.634 154 R N 2.379 123.070 120.500 0.318 0.000 2.702 154 R HA 0.166 4.507 4.340 0.001 0.000 0.314 154 R C -0.100 176.355 176.300 0.258 0.000 1.152 154 R CA -0.052 56.175 56.100 0.212 0.000 1.097 154 R CB 0.139 30.514 30.300 0.125 0.000 1.343 154 R HN 0.519 nan 8.270 nan 0.000 0.575 155 E N -1.230 119.188 120.200 0.363 0.000 2.437 155 E HA 0.124 4.475 4.350 0.001 0.000 0.280 155 E C -1.146 175.626 176.600 0.287 0.000 1.044 155 E CA -0.819 55.749 56.400 0.280 0.000 0.826 155 E CB 0.950 30.715 29.700 0.109 0.000 1.358 155 E HN -0.135 nan 8.360 nan 0.000 0.459 156 V N 0.896 120.853 119.914 0.071 0.000 2.775 156 V HA 0.310 4.431 4.120 0.001 0.000 0.299 156 V C -1.220 174.883 176.094 0.016 0.000 1.062 156 V CA -0.027 62.339 62.300 0.111 0.000 1.063 156 V CB 0.105 31.820 31.823 -0.180 0.000 0.994 156 V HN 0.564 nan 8.190 nan 0.000 0.483 157 Y N 5.520 125.941 120.300 0.202 0.000 2.409 157 Y HA 0.347 4.897 4.550 0.001 0.000 0.343 157 Y C 0.390 176.512 175.900 0.370 0.000 0.973 157 Y CA -0.381 57.835 58.100 0.192 0.000 1.064 157 Y CB 1.261 39.735 38.460 0.024 0.000 1.207 157 Y HN 0.703 nan 8.280 nan 0.000 0.452 158 Y N 3.692 124.161 120.300 0.282 0.000 2.036 158 Y HA -0.273 4.278 4.550 0.001 0.000 0.273 158 Y C 2.015 178.113 175.900 0.331 0.000 1.135 158 Y CA 2.163 60.367 58.100 0.173 0.000 1.106 158 Y CB -0.683 37.845 38.460 0.115 0.000 0.976 158 Y HN 0.798 nan 8.280 nan 0.000 0.483 159 W N 1.214 122.606 121.300 0.153 0.000 2.436 159 W HA -0.037 4.624 4.660 0.001 0.000 0.284 159 W C 1.455 178.171 176.519 0.328 0.000 1.225 159 W CA 1.070 58.466 57.345 0.085 0.000 1.271 159 W CB -1.560 27.991 29.460 0.152 0.000 1.114 159 W HN 0.142 nan 8.180 nan 0.000 0.559 160 D N 1.465 121.992 120.400 0.212 0.000 2.149 160 D HA -0.221 4.419 4.640 0.001 0.000 0.194 160 D C 2.310 178.778 176.300 0.279 0.000 1.001 160 D CA 2.970 57.023 54.000 0.088 0.000 0.849 160 D CB -0.596 39.993 40.800 -0.352 0.000 0.939 160 D HN 0.066 nan 8.370 nan 0.000 0.449 161 S N -0.722 115.174 115.700 0.325 0.000 2.383 161 S HA -0.198 4.272 4.470 0.001 0.000 0.229 161 S C 1.687 176.442 174.600 0.258 0.000 1.030 161 S CA 0.700 59.110 58.200 0.350 0.000 1.002 161 S CB -0.401 63.176 63.200 0.628 0.000 0.829 161 S HN 0.386 nan 8.310 nan 0.000 0.467 162 Y N 1.494 121.839 120.300 0.075 0.000 2.145 162 Y HA -0.174 4.377 4.550 0.001 0.000 0.286 162 Y C 1.675 177.441 175.900 -0.222 0.000 1.145 162 Y CA 1.454 59.479 58.100 -0.125 0.000 1.148 162 Y CB -0.572 37.673 38.460 -0.358 0.000 0.981 162 Y HN 0.232 nan 8.280 nan 0.000 0.507 163 F N -0.482 119.439 119.950 -0.050 0.000 2.259 163 F HA -0.140 4.388 4.527 0.001 0.000 0.298 163 F C 2.427 178.161 175.800 -0.111 0.000 1.088 163 F CA 1.638 59.553 58.000 -0.142 0.000 1.358 163 F CB -1.077 37.939 39.000 0.026 0.000 1.040 163 F HN -0.072 nan 8.300 nan 0.000 0.505 164 T N 0.230 114.880 114.554 0.159 0.000 2.746 164 T HA -0.215 4.136 4.350 0.001 0.000 0.267 164 T C 1.998 176.615 174.700 -0.138 0.000 1.039 164 T CA 1.522 63.689 62.100 0.113 0.000 1.142 164 T CB -0.340 68.606 68.868 0.130 0.000 0.866 164 T HN 0.187 nan 8.240 nan 0.000 0.444 165 M N 0.495 119.983 119.600 -0.185 0.000 2.213 165 M HA 0.048 4.528 4.480 0.001 0.000 0.263 165 M C 2.080 178.132 176.300 -0.414 0.000 1.062 165 M CA 1.250 56.373 55.300 -0.295 0.000 1.105 165 M CB -0.579 31.927 32.600 -0.156 0.000 1.385 165 M HN 0.167 nan 8.290 nan 0.000 0.417 166 L N -0.596 120.356 121.223 -0.451 0.000 2.083 166 L HA -0.143 4.198 4.340 0.001 0.000 0.209 166 L C 2.622 179.282 176.870 -0.351 0.000 1.083 166 L CA 1.307 55.885 54.840 -0.436 0.000 0.752 166 L CB -1.211 40.547 42.059 -0.500 0.000 0.899 166 L HN 0.427 nan 8.230 nan 0.000 0.433 167 G N -0.069 108.579 108.800 -0.254 0.000 2.394 167 G HA2 -0.164 3.797 3.960 0.001 0.000 0.215 167 G HA3 -0.164 3.797 3.960 0.001 0.000 0.215 167 G C 1.632 176.339 174.900 -0.321 0.000 1.165 167 G CA 0.316 45.357 45.100 -0.097 0.000 0.784 167 G HN 0.189 nan 8.290 nan 0.000 0.535 168 L N 0.829 121.600 121.223 -0.754 0.000 2.012 168 L HA -0.137 4.204 4.340 0.001 0.000 0.210 168 L C 3.426 179.869 176.870 -0.711 0.000 1.073 168 L CA 1.266 55.544 54.840 -0.937 0.000 0.748 168 L CB -0.418 41.101 42.059 -0.901 0.000 0.891 168 L HN 0.307 nan 8.230 nan 0.000 0.431 169 A N -0.650 121.668 122.820 -0.837 0.000 1.877 169 A HA -0.245 4.076 4.320 0.001 0.000 0.216 169 A C 2.320 179.437 177.584 -0.777 0.000 1.186 169 A CA 1.709 52.952 52.037 -1.323 0.000 0.620 169 A CB -0.572 17.579 19.000 -1.415 0.000 0.822 169 A HN 0.412 nan 8.150 nan 0.000 0.443 170 E N 0.846 120.793 120.200 -0.422 0.000 2.118 170 E HA -0.167 4.184 4.350 0.001 0.000 0.195 170 E C 1.628 178.147 176.600 -0.136 0.000 0.992 170 E CA 1.647 57.931 56.400 -0.194 0.000 0.804 170 E CB -0.182 29.442 29.700 -0.127 0.000 0.741 170 E HN 0.641 nan 8.360 nan 0.000 0.458 171 S N -1.545 114.073 115.700 -0.136 0.000 2.622 171 S HA 0.366 4.836 4.470 0.001 0.000 0.236 171 S C 1.203 175.676 174.600 -0.212 0.000 0.956 171 S CA 0.417 58.599 58.200 -0.029 0.000 0.971 171 S CB 0.433 63.775 63.200 0.236 0.000 0.782 171 S HN 0.367 nan 8.310 nan 0.000 0.468 172 G N 1.745 110.344 108.800 -0.336 0.000 2.176 172 G HA2 -0.232 3.729 3.960 0.001 0.000 0.253 172 G HA3 -0.232 3.729 3.960 0.001 0.000 0.253 172 G C 0.027 174.618 174.900 -0.515 0.000 0.979 172 G CA 0.101 44.987 45.100 -0.357 0.000 0.641 172 G HN 0.700 nan 8.290 nan 0.000 0.530 173 H N -0.635 118.181 119.070 -0.424 0.000 2.640 173 H HA 0.309 4.865 4.556 0.000 0.000 0.220 173 H C 1.028 176.133 175.328 -0.371 0.000 1.852 173 H CA -0.501 55.338 56.048 -0.349 0.000 1.275 173 H CB -0.371 29.143 29.762 -0.413 0.000 1.675 173 H HN 0.605 nan 8.280 nan 0.000 0.523 174 W N 1.310 122.506 121.300 -0.173 0.000 2.425 174 W HA -0.154 4.507 4.660 0.000 0.000 0.277 174 W C 2.048 178.513 176.519 -0.090 0.000 1.231 174 W CA 0.795 58.025 57.345 -0.191 0.000 1.248 174 W CB 0.233 29.483 29.460 -0.351 0.000 1.117 174 W HN 0.484 nan 8.180 nan 0.000 0.568 175 D N 0.640 121.125 120.400 0.140 0.000 2.149 175 D HA -0.235 4.405 4.640 0.001 0.000 0.198 175 D C 1.702 178.031 176.300 0.048 0.000 0.990 175 D CA 1.447 55.505 54.000 0.097 0.000 0.839 175 D CB -0.743 40.101 40.800 0.072 0.000 0.948 175 D HN 0.077 nan 8.370 nan 0.000 0.460 176 K N 0.492 120.888 120.400 -0.007 0.000 2.155 176 K HA 0.041 4.361 4.320 0.001 0.000 0.203 176 K C 2.085 178.645 176.600 -0.067 0.000 1.052 176 K CA 0.438 56.685 56.287 -0.067 0.000 0.948 176 K CB -0.240 32.164 32.500 -0.160 0.000 0.728 176 K HN 0.052 nan 8.250 nan 0.000 0.448 177 V N 0.734 120.606 119.914 -0.070 0.000 2.295 177 V HA -0.235 3.885 4.120 0.001 0.000 0.246 177 V C 2.265 178.409 176.094 0.084 0.000 1.049 177 V CA 2.015 64.304 62.300 -0.018 0.000 1.024 177 V CB -0.815 30.993 31.823 -0.025 0.000 0.648 177 V HN 0.438 nan 8.190 nan 0.000 0.447 178 A N -0.257 122.641 122.820 0.129 0.000 1.933 178 A HA -0.257 4.064 4.320 0.001 0.000 0.218 178 A C 1.978 179.621 177.584 0.098 0.000 1.175 178 A CA 2.001 54.124 52.037 0.143 0.000 0.628 178 A CB -0.648 18.448 19.000 0.160 0.000 0.814 178 A HN 0.538 nan 8.150 nan 0.000 0.444 179 D N -0.422 120.014 120.400 0.059 0.000 2.123 179 D HA -0.157 4.483 4.640 0.001 0.000 0.196 179 D C 2.000 178.297 176.300 -0.005 0.000 0.992 179 D CA 1.535 55.551 54.000 0.027 0.000 0.833 179 D CB -0.296 40.508 40.800 0.007 0.000 0.954 179 D HN 0.507 nan 8.370 nan 0.000 0.455 180 M N -0.288 119.309 119.600 -0.005 0.000 2.236 180 M HA -0.082 4.399 4.480 0.001 0.000 0.266 180 M C 2.286 178.586 176.300 0.001 0.000 1.070 180 M CA 0.493 55.750 55.300 -0.072 0.000 1.137 180 M CB 0.124 32.730 32.600 0.010 0.000 1.378 180 M HN -0.131 nan 8.290 nan 0.000 0.426 181 V N 0.642 120.634 119.914 0.130 0.000 2.332 181 V HA -0.283 3.837 4.120 0.001 0.000 0.248 181 V C 2.635 178.781 176.094 0.087 0.000 1.055 181 V CA 2.126 64.526 62.300 0.167 0.000 1.038 181 V CB -1.226 30.573 31.823 -0.039 0.000 0.651 181 V HN 0.522 nan 8.190 nan 0.000 0.450 182 A N 0.232 123.092 122.820 0.066 0.000 1.933 182 A HA -0.232 4.088 4.320 0.001 0.000 0.218 182 A C 2.074 179.696 177.584 0.064 0.000 1.175 182 A CA 2.011 54.127 52.037 0.132 0.000 0.628 182 A CB -0.659 18.429 19.000 0.146 0.000 0.814 182 A HN 0.593 nan 8.150 nan 0.000 0.444 183 N N -0.588 118.068 118.700 -0.074 0.000 2.120 183 N HA -0.119 4.621 4.740 0.001 0.000 0.188 183 N C 1.322 176.734 175.510 -0.163 0.000 1.024 183 N CA 1.408 54.344 53.050 -0.190 0.000 0.852 183 N CB -0.587 37.649 38.487 -0.418 0.000 1.003 183 N HN 0.468 nan 8.380 nan 0.000 0.424 184 F N 1.312 121.253 119.950 -0.016 0.000 2.186 184 F HA 0.035 4.562 4.527 0.002 0.000 0.299 184 F C 2.372 177.977 175.800 -0.324 0.000 1.090 184 F CA 0.531 58.432 58.000 -0.166 0.000 1.307 184 F CB -0.950 38.004 39.000 -0.077 0.000 1.019 184 F HN -0.001 nan 8.300 nan 0.000 0.489 185 A N -0.724 122.099 122.820 0.004 0.000 1.933 185 A HA -0.269 4.051 4.320 0.001 0.000 0.218 185 A C 2.030 179.608 177.584 -0.010 0.000 1.175 185 A CA 2.053 54.087 52.037 -0.006 0.000 0.628 185 A CB -1.240 17.969 19.000 0.349 0.000 0.814 185 A HN 0.532 nan 8.150 nan 0.000 0.444 186 H N -0.207 118.826 119.070 -0.060 0.000 2.357 186 H HA -0.044 4.513 4.556 0.001 0.000 0.301 186 H C 1.891 177.096 175.328 -0.206 0.000 1.082 186 H CA 1.891 57.874 56.048 -0.109 0.000 1.342 186 H CB -0.104 29.598 29.762 -0.100 0.000 1.389 186 H HN 0.591 nan 8.280 nan 0.000 0.511 187 E N 0.173 120.242 120.200 -0.218 0.000 2.077 187 E HA -0.154 4.197 4.350 0.001 0.000 0.193 187 E C 2.299 178.702 176.600 -0.328 0.000 0.989 187 E CA 1.376 57.619 56.400 -0.262 0.000 0.800 187 E CB -0.048 29.656 29.700 0.006 0.000 0.746 187 E HN 0.558 nan 8.360 nan 0.000 0.452 188 I N 1.344 121.736 120.570 -0.296 0.000 2.208 188 I HA -0.280 3.891 4.170 0.001 0.000 0.245 188 I C 2.271 178.243 176.117 -0.242 0.000 1.097 188 I CA 1.280 62.418 61.300 -0.269 0.000 1.363 188 I CB -0.196 37.641 38.000 -0.272 0.000 1.051 188 I HN 0.060 nan 8.210 nan 0.000 0.413 189 D N 0.153 120.392 120.400 -0.267 0.000 2.144 189 D HA -0.171 4.469 4.640 0.001 0.000 0.200 189 D C 2.208 178.291 176.300 -0.361 0.000 0.978 189 D CA 1.910 55.759 54.000 -0.251 0.000 0.833 189 D CB 0.097 40.771 40.800 -0.209 0.000 0.961 189 D HN 0.400 nan 8.370 nan 0.000 0.470 190 T N -3.045 111.144 114.554 -0.609 0.000 3.031 190 T HA -0.031 4.320 4.350 0.001 0.000 0.254 190 T C 1.456 175.762 174.700 -0.656 0.000 1.060 190 T CA 0.410 62.072 62.100 -0.731 0.000 1.135 190 T CB -0.373 67.849 68.868 -1.077 0.000 0.896 190 T HN 0.090 nan 8.240 nan 0.000 0.472 191 Y N 1.008 121.130 120.300 -0.296 0.000 2.462 191 Y HA 0.553 5.104 4.550 0.001 0.000 0.253 191 Y C 2.187 177.929 175.900 -0.264 0.000 1.095 191 Y CA -0.691 57.224 58.100 -0.309 0.000 1.283 191 Y CB 0.095 38.263 38.460 -0.487 0.000 1.138 191 Y HN 0.395 nan 8.280 nan 0.000 0.522 192 G N 0.137 108.859 108.800 -0.130 0.000 2.195 192 G HA2 -0.245 3.716 3.960 0.001 0.000 0.246 192 G HA3 -0.245 3.716 3.960 0.001 0.000 0.246 192 G C 0.136 174.989 174.900 -0.078 0.000 0.984 192 G CA 0.402 45.476 45.100 -0.043 0.000 0.633 192 G HN 0.611 nan 8.290 nan 0.000 0.525 193 H N -1.644 117.244 119.070 -0.303 0.000 2.902 193 H HA 0.573 5.130 4.556 0.001 0.000 0.297 193 H C -1.075 174.008 175.328 -0.407 0.000 1.406 193 H CA -1.142 54.562 56.048 -0.573 0.000 1.134 193 H CB 0.654 29.513 29.762 -1.505 0.000 1.833 193 H HN 0.180 nan 8.280 nan 0.000 0.527 194 I N 3.360 123.710 120.570 -0.367 0.000 2.312 194 I HA 0.201 4.371 4.170 0.001 0.000 0.291 194 I C -2.188 173.828 176.117 -0.167 0.000 1.031 194 I CA -1.832 59.227 61.300 -0.402 0.000 1.293 194 I CB 1.442 38.913 38.000 -0.881 0.000 1.403 194 I HN 0.246 nan 8.210 nan 0.000 0.484 195 P HA 0.030 nan 4.420 nan 0.000 0.274 195 P C 0.317 177.616 177.300 -0.002 0.000 1.246 195 P CA -0.254 62.823 63.100 -0.037 0.000 0.795 195 P CB 0.778 32.365 31.700 -0.188 0.000 1.006 196 N N 0.413 119.106 118.700 -0.012 0.000 2.096 196 N HA -0.142 4.598 4.740 0.001 0.000 0.195 196 N C 0.746 176.061 175.510 -0.326 0.000 1.017 196 N CA 2.077 55.031 53.050 -0.160 0.000 0.870 196 N CB -0.453 37.782 38.487 -0.419 0.000 1.024 196 N HN 0.685 nan 8.380 nan 0.000 0.434 197 G N -1.269 107.331 108.800 -0.333 0.000 2.600 197 G HA2 0.177 4.138 3.960 0.001 0.000 0.293 197 G HA3 0.177 4.138 3.960 0.001 0.000 0.293 197 G C -1.266 173.597 174.900 -0.060 0.000 1.408 197 G CA -0.464 44.469 45.100 -0.278 0.000 0.782 197 G HN 0.355 nan 8.290 nan 0.000 0.482 198 N N 1.012 119.622 118.700 -0.150 0.000 3.254 198 N HA 0.132 4.872 4.740 0.001 0.000 0.308 198 N C -0.276 175.090 175.510 -0.240 0.000 1.281 198 N CA -0.041 52.894 53.050 -0.192 0.000 1.212 198 N CB 0.274 38.615 38.487 -0.243 0.000 1.478 198 N HN 0.281 nan 8.380 nan 0.000 0.548 199 R N -0.022 120.274 120.500 -0.340 0.000 2.750 199 R HA 0.205 4.546 4.340 0.001 0.000 0.281 199 R C 1.124 177.058 176.300 -0.611 0.000 0.972 199 R CA -0.465 55.234 56.100 -0.669 0.000 0.912 199 R CB 1.646 31.037 30.300 -1.515 0.000 1.187 199 R HN 0.403 nan 8.270 nan 0.000 0.464 200 S N 1.368 116.769 115.700 -0.498 0.000 2.392 200 S HA -0.257 4.213 4.470 0.001 0.000 0.232 200 S C 1.669 176.113 174.600 -0.261 0.000 1.041 200 S CA 1.851 59.861 58.200 -0.316 0.000 1.026 200 S CB -0.623 62.466 63.200 -0.185 0.000 0.845 200 S HN 0.755 nan 8.310 nan 0.000 0.465 201 Y N -1.091 119.066 120.300 -0.239 0.000 2.529 201 Y HA 0.418 4.969 4.550 0.001 0.000 0.290 201 Y C 1.155 176.993 175.900 -0.103 0.000 1.177 201 Y CA -0.698 57.280 58.100 -0.203 0.000 1.305 201 Y CB -0.781 37.532 38.460 -0.244 0.000 1.047 201 Y HN 0.179 nan 8.280 nan 0.000 0.522 202 Y N -0.045 120.183 120.300 -0.119 0.000 2.458 202 Y HA 0.301 4.852 4.550 0.001 0.000 0.256 202 Y C 1.602 177.451 175.900 -0.086 0.000 1.159 202 Y CA -1.036 57.028 58.100 -0.059 0.000 1.261 202 Y CB -0.218 38.157 38.460 -0.141 0.000 1.119 202 Y HN 0.233 nan 8.280 nan 0.000 0.524 203 L N -0.299 120.918 121.223 -0.010 0.000 2.291 203 L HA -0.143 4.198 4.340 0.001 0.000 0.214 203 L C 2.203 179.136 176.870 0.106 0.000 1.120 203 L CA 1.489 56.283 54.840 -0.076 0.000 0.799 203 L CB -0.326 41.599 42.059 -0.223 0.000 0.925 203 L HN 0.214 nan 8.230 nan 0.000 0.446 204 S N -0.125 115.629 115.700 0.089 0.000 2.561 204 S HA -0.004 4.467 4.470 0.001 0.000 0.225 204 S C 0.790 175.423 174.600 0.055 0.000 0.977 204 S CA -0.348 57.899 58.200 0.077 0.000 0.926 204 S CB -0.203 63.023 63.200 0.043 0.000 0.769 204 S HN 0.512 nan 8.310 nan 0.000 0.533 205 R N -1.222 119.327 120.500 0.083 0.000 2.831 205 R HA 0.798 5.139 4.340 0.001 0.000 0.266 205 R C -0.294 176.040 176.300 0.057 0.000 1.051 205 R CA -0.788 55.334 56.100 0.038 0.000 0.943 205 R CB 0.968 31.293 30.300 0.042 0.000 1.228 205 R HN -0.005 nan 8.270 nan 0.000 0.467 206 S N -1.360 114.381 115.700 0.068 0.000 3.362 206 S HA 0.491 4.961 4.470 0.001 0.000 0.235 206 S C -0.910 173.863 174.600 0.288 0.000 1.026 206 S CA -0.540 57.776 58.200 0.193 0.000 1.257 206 S CB 1.133 64.425 63.200 0.153 0.000 1.187 206 S HN 0.606 nan 8.310 nan 0.000 0.660 207 Q N -0.321 119.784 119.800 0.508 0.000 2.782 207 Q HA 0.361 4.701 4.340 0.001 0.000 0.308 207 Q C -2.953 173.198 176.000 0.252 0.000 0.883 207 Q CA -1.873 54.062 55.803 0.220 0.000 0.755 207 Q CB 1.770 30.598 28.738 0.150 0.000 1.454 207 Q HN 0.303 nan 8.270 nan 0.000 0.452 208 P HA 0.014 nan 4.420 nan 0.000 0.261 208 P C -2.525 174.762 177.300 -0.021 0.000 1.183 208 P CA -0.427 62.687 63.100 0.022 0.000 0.761 208 P CB -0.030 31.611 31.700 -0.098 0.000 0.785 209 P HA 0.203 nan 4.420 nan 0.000 0.284 209 P C -0.621 176.562 177.300 -0.195 0.000 1.343 209 P CA 0.018 63.069 63.100 -0.082 0.000 0.826 209 P CB 0.181 31.811 31.700 -0.118 0.000 0.956 210 F N 1.326 121.154 119.950 -0.204 0.000 2.688 210 F HA 0.188 4.716 4.527 0.001 0.000 0.310 210 F C 1.831 177.696 175.800 0.109 0.000 1.098 210 F CA -0.302 57.640 58.000 -0.097 0.000 1.228 210 F CB -0.029 38.868 39.000 -0.172 0.000 1.042 210 F HN 0.124 nan 8.300 nan 0.000 0.557 211 F N 1.641 121.808 119.950 0.361 0.000 2.091 211 F HA -0.244 4.283 4.527 0.001 0.000 0.299 211 F C 2.288 178.175 175.800 0.146 0.000 1.103 211 F CA 1.719 59.878 58.000 0.266 0.000 1.228 211 F CB -0.586 38.554 39.000 0.233 0.000 0.984 211 F HN -0.034 nan 8.300 nan 0.000 0.477 212 A N 0.185 122.993 122.820 -0.020 0.000 1.908 212 A HA -0.158 4.163 4.320 0.001 0.000 0.218 212 A C 2.092 179.579 177.584 -0.161 0.000 1.181 212 A CA 1.903 53.834 52.037 -0.176 0.000 0.627 212 A CB -1.174 17.765 19.000 -0.101 0.000 0.818 212 A HN 0.420 nan 8.150 nan 0.000 0.445 213 L N -0.886 120.267 121.223 -0.116 0.000 2.131 213 L HA -0.131 4.209 4.340 0.001 0.000 0.210 213 L C 2.702 179.660 176.870 0.147 0.000 1.092 213 L CA 1.603 56.397 54.840 -0.077 0.000 0.759 213 L CB -0.554 41.301 42.059 -0.341 0.000 0.903 213 L HN 0.389 nan 8.230 nan 0.000 0.435 214 M N -1.851 117.843 119.600 0.156 0.000 2.132 214 M HA -0.166 4.314 4.480 0.001 0.000 0.263 214 M C 2.233 178.558 176.300 0.040 0.000 1.065 214 M CA 1.195 56.632 55.300 0.228 0.000 1.122 214 M CB -0.418 32.322 32.600 0.234 0.000 1.365 214 M HN 0.057 nan 8.290 nan 0.000 0.411 215 V N 0.316 120.118 119.914 -0.186 0.000 2.343 215 V HA -0.220 3.901 4.120 0.001 0.000 0.247 215 V C 2.355 178.442 176.094 -0.011 0.000 1.051 215 V CA 1.679 63.876 62.300 -0.172 0.000 1.036 215 V CB -0.719 30.918 31.823 -0.309 0.000 0.654 215 V HN 0.424 nan 8.190 nan 0.000 0.451 216 E N -0.131 120.068 120.200 -0.002 0.000 2.110 216 E HA -0.230 4.120 4.350 0.001 0.000 0.193 216 E C 2.136 178.810 176.600 0.123 0.000 0.988 216 E CA 1.257 57.684 56.400 0.045 0.000 0.804 216 E CB -0.331 29.385 29.700 0.026 0.000 0.745 216 E HN 0.483 nan 8.360 nan 0.000 0.458 217 L N 0.943 122.282 121.223 0.193 0.000 2.017 217 L HA -0.162 4.179 4.340 0.001 0.000 0.208 217 L C 2.327 179.392 176.870 0.325 0.000 1.073 217 L CA 1.315 56.314 54.840 0.265 0.000 0.745 217 L CB -0.709 41.503 42.059 0.255 0.000 0.894 217 L HN 0.088 nan 8.230 nan 0.000 0.432 218 L N 0.132 121.516 121.223 0.268 0.000 2.079 218 L HA -0.136 4.205 4.340 0.001 0.000 0.210 218 L C 2.506 179.441 176.870 0.109 0.000 1.081 218 L CA 2.094 57.080 54.840 0.244 0.000 0.752 218 L CB -1.165 41.013 42.059 0.197 0.000 0.896 218 L HN 0.354 nan 8.230 nan 0.000 0.433 219 A N -1.573 121.299 122.820 0.087 0.000 2.015 219 A HA -0.233 4.088 4.320 0.001 0.000 0.219 219 A C 2.156 179.742 177.584 0.004 0.000 1.163 219 A CA 1.473 53.529 52.037 0.032 0.000 0.646 219 A CB -0.491 18.525 19.000 0.027 0.000 0.806 219 A HN 0.642 nan 8.150 nan 0.000 0.448 220 Q N -1.750 118.081 119.800 0.052 0.000 2.181 220 Q HA -0.258 4.083 4.340 0.001 0.000 0.205 220 Q C 1.953 177.916 176.000 -0.061 0.000 0.980 220 Q CA 1.936 57.768 55.803 0.049 0.000 0.862 220 Q CB -0.199 28.643 28.738 0.173 0.000 0.905 220 Q HN 0.930 nan 8.270 nan 0.000 0.429 221 H N -0.156 118.697 119.070 -0.361 0.000 2.451 221 H HA 0.080 4.637 4.556 0.001 0.000 0.294 221 H C 1.216 176.303 175.328 -0.401 0.000 1.028 221 H CA 0.945 56.598 56.048 -0.659 0.000 1.349 221 H CB 0.586 29.359 29.762 -1.649 0.000 1.444 221 H HN 0.153 nan 8.280 nan 0.000 0.538 222 E N -0.361 119.699 120.200 -0.232 0.000 2.400 222 E HA 0.221 4.571 4.350 0.001 0.000 0.195 222 E C 0.770 177.291 176.600 -0.132 0.000 1.012 222 E CA 0.277 56.569 56.400 -0.180 0.000 0.875 222 E CB 0.821 30.483 29.700 -0.063 0.000 0.859 222 E HN 0.525 nan 8.360 nan 0.000 0.498 223 G N 1.948 110.686 108.800 -0.104 0.000 2.725 223 G HA2 -0.240 3.720 3.960 0.001 0.000 0.220 223 G HA3 -0.240 3.720 3.960 0.001 0.000 0.220 223 G C -0.252 174.627 174.900 -0.035 0.000 1.357 223 G CA -0.195 44.865 45.100 -0.067 0.000 0.866 223 G HN 0.102 nan 8.290 nan 0.000 0.548 224 D N 0.534 120.916 120.400 -0.030 0.000 2.392 224 D HA 0.198 4.839 4.640 0.001 0.000 0.228 224 D C 2.455 178.748 176.300 -0.012 0.000 1.003 224 D CA 1.496 55.485 54.000 -0.018 0.000 0.917 224 D CB -0.429 40.358 40.800 -0.021 0.000 0.890 224 D HN 0.871 nan 8.370 nan 0.000 0.532 225 A N 1.036 123.845 122.820 -0.018 0.000 1.908 225 A HA -0.143 4.177 4.320 0.001 0.000 0.218 225 A C 2.341 179.927 177.584 0.002 0.000 1.181 225 A CA 1.950 53.977 52.037 -0.018 0.000 0.627 225 A CB -0.552 18.433 19.000 -0.024 0.000 0.818 225 A HN 0.267 nan 8.150 nan 0.000 0.445 226 A N -0.335 122.510 122.820 0.042 0.000 1.933 226 A HA -0.038 4.283 4.320 0.001 0.000 0.218 226 A C 2.166 179.831 177.584 0.136 0.000 1.175 226 A CA 1.496 53.613 52.037 0.134 0.000 0.628 226 A CB -0.570 18.522 19.000 0.153 0.000 0.814 226 A HN 0.488 nan 8.150 nan 0.000 0.444 227 L N -0.883 120.376 121.223 0.060 0.000 2.046 227 L HA -0.198 4.143 4.340 0.001 0.000 0.208 227 L C 2.608 179.493 176.870 0.026 0.000 1.077 227 L CA 1.730 56.592 54.840 0.037 0.000 0.747 227 L CB -0.443 41.615 42.059 -0.002 0.000 0.896 227 L HN 0.345 nan 8.230 nan 0.000 0.432 228 K N -0.230 120.170 120.400 -0.001 0.000 2.025 228 K HA -0.246 4.074 4.320 0.001 0.000 0.207 228 K C 2.155 178.723 176.600 -0.053 0.000 1.049 228 K CA 1.557 57.833 56.287 -0.020 0.000 0.933 228 K CB -0.131 32.352 32.500 -0.028 0.000 0.714 228 K HN 0.133 nan 8.250 nan 0.000 0.438 229 Q N 0.043 119.775 119.800 -0.114 0.000 2.170 229 Q HA -0.155 4.185 4.340 0.001 0.000 0.203 229 Q C 0.785 176.534 176.000 -0.418 0.000 0.976 229 Q CA 1.649 57.271 55.803 -0.301 0.000 0.858 229 Q CB 0.029 28.506 28.738 -0.435 0.000 0.907 229 Q HN 0.370 nan 8.270 nan 0.000 0.433 230 Y N -0.735 119.606 120.300 0.067 0.000 2.507 230 Y HA 0.168 4.719 4.550 0.001 0.000 0.254 230 Y C 1.158 177.130 175.900 0.120 0.000 1.171 230 Y CA -0.324 57.851 58.100 0.125 0.000 1.238 230 Y CB 0.235 38.768 38.460 0.122 0.000 1.148 230 Y HN 0.162 nan 8.280 nan 0.000 0.525 231 L N 1.935 123.243 121.223 0.142 0.000 2.013 231 L HA -0.104 4.237 4.340 0.001 0.000 0.212 231 L C -0.881 176.072 176.870 0.138 0.000 1.073 231 L CA 2.155 57.056 54.840 0.102 0.000 0.753 231 L CB -1.463 40.625 42.059 0.049 0.000 0.890 231 L HN -0.018 nan 8.230 nan 0.000 0.432 232 P HA -0.192 nan 4.420 nan 0.000 0.215 232 P C 1.440 178.846 177.300 0.177 0.000 1.157 232 P CA 1.619 64.798 63.100 0.131 0.000 0.874 232 P CB -0.016 31.740 31.700 0.092 0.000 0.790 233 Q N -1.485 118.467 119.800 0.253 0.000 2.083 233 Q HA -0.023 4.318 4.340 0.001 0.000 0.198 233 Q C 2.267 178.476 176.000 0.349 0.000 0.969 233 Q CA 1.417 57.384 55.803 0.273 0.000 0.838 233 Q CB -0.836 28.109 28.738 0.345 0.000 0.900 233 Q HN 0.248 nan 8.270 nan 0.000 0.436 234 M N 0.088 119.968 119.600 0.467 0.000 2.108 234 M HA -0.248 4.232 4.480 0.001 0.000 0.261 234 M C 2.137 178.594 176.300 0.262 0.000 1.066 234 M CA 1.621 57.159 55.300 0.396 0.000 1.107 234 M CB -0.336 32.386 32.600 0.204 0.000 1.356 234 M HN 0.257 nan 8.290 nan 0.000 0.406 235 Q N 0.013 119.931 119.800 0.197 0.000 2.084 235 Q HA -0.218 4.122 4.340 0.001 0.000 0.202 235 Q C 2.081 178.252 176.000 0.285 0.000 0.978 235 Q CA 1.272 57.213 55.803 0.230 0.000 0.844 235 Q CB -0.245 28.622 28.738 0.214 0.000 0.898 235 Q HN 0.197 nan 8.270 nan 0.000 0.426 236 K N 1.391 121.925 120.400 0.223 0.000 2.097 236 K HA -0.177 4.144 4.320 0.001 0.000 0.206 236 K C 1.706 178.446 176.600 0.234 0.000 1.049 236 K CA 1.427 57.826 56.287 0.187 0.000 0.933 236 K CB -0.115 32.452 32.500 0.112 0.000 0.717 236 K HN 0.206 nan 8.250 nan 0.000 0.442 237 E N -1.257 119.107 120.200 0.273 0.000 2.072 237 E HA -0.210 4.140 4.350 0.001 0.000 0.191 237 E C 1.734 178.667 176.600 0.556 0.000 0.985 237 E CA 0.883 57.501 56.400 0.363 0.000 0.801 237 E CB -0.238 29.691 29.700 0.382 0.000 0.750 237 E HN 0.381 nan 8.360 nan 0.000 0.452 238 Y N 0.920 121.430 120.300 0.350 0.000 2.165 238 Y HA -0.217 4.334 4.550 0.001 0.000 0.286 238 Y C 2.065 178.140 175.900 0.291 0.000 1.155 238 Y CA 1.659 59.954 58.100 0.325 0.000 1.164 238 Y CB -0.621 37.965 38.460 0.209 0.000 0.978 238 Y HN 0.110 nan 8.280 nan 0.000 0.513 239 A N -0.839 122.119 122.820 0.230 0.000 1.972 239 A HA -0.239 4.082 4.320 0.001 0.000 0.219 239 A C 2.148 179.763 177.584 0.052 0.000 1.169 239 A CA 1.639 53.725 52.037 0.081 0.000 0.635 239 A CB -1.475 17.601 19.000 0.127 0.000 0.810 239 A HN 0.738 nan 8.150 nan 0.000 0.446 240 Y N -1.258 119.040 120.300 -0.004 0.000 2.163 240 Y HA -0.203 4.347 4.550 0.001 0.000 0.288 240 Y C 2.067 177.833 175.900 -0.223 0.000 1.136 240 Y CA 1.757 59.779 58.100 -0.130 0.000 1.147 240 Y CB -0.545 37.815 38.460 -0.166 0.000 0.987 240 Y HN 0.390 nan 8.280 nan 0.000 0.509 241 W N -0.054 121.196 121.300 -0.083 0.000 2.338 241 W HA -0.233 4.428 4.660 0.001 0.000 0.304 241 W C 1.872 178.188 176.519 -0.338 0.000 1.212 241 W CA 1.131 58.332 57.345 -0.241 0.000 1.264 241 W CB -0.277 29.155 29.460 -0.048 0.000 1.142 241 W HN 0.078 nan 8.180 nan 0.000 0.512 242 M N 0.110 119.612 119.600 -0.163 0.000 2.494 242 M HA 0.088 4.568 4.480 0.001 0.000 0.232 242 M C -0.353 175.822 176.300 -0.208 0.000 1.137 242 M CA 0.141 55.295 55.300 -0.244 0.000 1.012 242 M CB -1.737 30.607 32.600 -0.428 0.000 1.567 242 M HN -0.164 nan 8.290 nan 0.000 0.486 243 D N 0.980 121.244 120.400 -0.227 0.000 2.531 243 D HA 0.270 4.910 4.640 0.001 0.000 0.239 243 D C 1.393 177.582 176.300 -0.185 0.000 1.144 243 D CA 2.049 55.935 54.000 -0.189 0.000 0.869 243 D CB 0.402 41.071 40.800 -0.219 0.000 1.160 243 D HN 0.577 nan 8.370 nan 0.000 0.484 244 G N 2.193 110.913 108.800 -0.133 0.000 2.194 244 G HA2 -0.304 3.657 3.960 0.001 0.000 0.236 244 G HA3 -0.304 3.657 3.960 0.001 0.000 0.236 244 G C 1.132 175.965 174.900 -0.112 0.000 0.987 244 G CA 0.209 45.235 45.100 -0.123 0.000 0.635 244 G HN 0.722 nan 8.290 nan 0.000 0.520 245 V N 0.776 120.621 119.914 -0.114 0.000 2.490 245 V HA -0.060 4.061 4.120 0.001 0.000 0.250 245 V C 2.514 178.567 176.094 -0.069 0.000 1.061 245 V CA 3.233 65.474 62.300 -0.098 0.000 1.064 245 V CB -0.152 31.612 31.823 -0.099 0.000 0.670 245 V HN 0.545 nan 8.190 nan 0.000 0.461 246 E N 0.696 120.862 120.200 -0.057 0.000 2.204 246 E HA -0.110 4.241 4.350 0.001 0.000 0.195 246 E C 1.607 178.183 176.600 -0.040 0.000 0.990 246 E CA 1.374 57.750 56.400 -0.040 0.000 0.821 246 E CB -0.197 29.484 29.700 -0.031 0.000 0.750 246 E HN 0.645 nan 8.360 nan 0.000 0.477 247 N N -0.024 118.646 118.700 -0.049 0.000 2.187 247 N HA 0.058 4.799 4.740 0.001 0.000 0.212 247 N C -0.383 175.096 175.510 -0.052 0.000 1.152 247 N CA -0.185 52.838 53.050 -0.045 0.000 0.872 247 N CB 0.619 39.080 38.487 -0.043 0.000 1.025 247 N HN 0.111 nan 8.380 nan 0.000 0.514 248 L N 2.225 123.411 121.223 -0.062 0.000 2.360 248 L HA 0.139 4.480 4.340 0.001 0.000 0.276 248 L C 0.384 177.222 176.870 -0.054 0.000 1.121 248 L CA 0.081 54.880 54.840 -0.069 0.000 0.845 248 L CB 0.509 42.515 42.059 -0.087 0.000 1.143 248 L HN -0.009 nan 8.230 nan 0.000 0.452 249 Q N 3.153 122.925 119.800 -0.048 0.000 2.306 249 Q HA 0.510 4.850 4.340 0.001 0.000 0.241 249 Q C -0.125 175.852 176.000 -0.038 0.000 0.948 249 Q CA -0.432 55.349 55.803 -0.037 0.000 0.886 249 Q CB 1.122 29.842 28.738 -0.030 0.000 1.227 249 Q HN 0.868 nan 8.270 nan 0.000 0.457 250 A N 0.744 123.545 122.820 -0.032 0.000 2.498 250 A HA 0.416 4.737 4.320 0.001 0.000 0.239 250 A C 1.068 178.637 177.584 -0.025 0.000 1.068 250 A CA 0.718 52.735 52.037 -0.032 0.000 0.766 250 A CB -0.398 18.586 19.000 -0.026 0.000 1.003 250 A HN 0.989 nan 8.150 nan 0.000 0.497 251 G N 0.755 109.542 108.800 -0.022 0.000 2.159 251 G HA2 -0.201 3.760 3.960 0.001 0.000 0.256 251 G HA3 -0.201 3.760 3.960 0.001 0.000 0.256 251 G C 0.128 175.030 174.900 0.003 0.000 0.977 251 G CA 0.720 45.821 45.100 0.002 0.000 0.652 251 G HN 0.950 nan 8.290 nan 0.000 0.531 252 Q N -1.067 118.719 119.800 -0.023 0.000 2.445 252 Q HA 0.726 5.067 4.340 0.001 0.000 0.281 252 Q C -0.558 175.403 176.000 -0.064 0.000 1.101 252 Q CA -0.844 54.937 55.803 -0.037 0.000 0.833 252 Q CB 1.418 30.128 28.738 -0.046 0.000 1.416 252 Q HN 0.325 nan 8.270 nan 0.000 0.451 253 Q N 0.361 120.107 119.800 -0.090 0.000 2.451 253 Q HA 0.490 4.831 4.340 0.001 0.000 0.281 253 Q C -1.740 174.128 176.000 -0.219 0.000 1.099 253 Q CA -0.818 54.898 55.803 -0.146 0.000 0.806 253 Q CB 2.439 31.097 28.738 -0.133 0.000 1.419 253 Q HN 0.530 nan 8.270 nan 0.000 0.427 254 E N -0.545 119.465 120.200 -0.315 0.000 2.354 254 E HA 0.528 4.878 4.350 0.001 0.000 0.283 254 E C -0.899 175.306 176.600 -0.658 0.000 0.938 254 E CA -0.964 55.169 56.400 -0.444 0.000 0.777 254 E CB 1.456 30.980 29.700 -0.292 0.000 1.222 254 E HN 0.490 nan 8.360 nan 0.000 0.423 255 K N 0.931 120.642 120.400 -1.148 0.000 1.721 255 K HA -0.358 3.963 4.320 0.001 0.000 0.121 255 K C 0.486 176.479 176.600 -1.012 0.000 1.152 255 K CA 2.128 57.502 56.287 -1.522 0.000 0.360 255 K CB -0.785 31.258 32.500 -0.761 0.000 0.626 255 K HN 0.673 nan 8.250 nan 0.000 0.878 256 R N 0.783 120.953 120.500 -0.549 0.000 2.356 256 R HA 0.209 4.550 4.340 0.001 0.000 0.234 256 R C -0.561 175.640 176.300 -0.165 0.000 0.929 256 R CA -0.077 55.879 56.100 -0.240 0.000 1.084 256 R CB 0.486 30.661 30.300 -0.208 0.000 1.105 256 R HN 0.064 nan 8.270 nan 0.000 0.515 257 V N 0.981 120.752 119.914 -0.237 0.000 2.604 257 V HA 0.455 4.576 4.120 0.001 0.000 0.305 257 V C -0.292 175.704 176.094 -0.163 0.000 1.043 257 V CA -1.111 61.086 62.300 -0.171 0.000 0.888 257 V CB 2.054 33.771 31.823 -0.176 0.000 0.995 257 V HN -0.033 nan 8.190 nan 0.000 0.429 258 V N 1.584 121.427 119.914 -0.119 0.000 2.789 258 V HA 0.766 4.887 4.120 0.001 0.000 0.311 258 V C -0.837 175.198 176.094 -0.099 0.000 1.073 258 V CA -0.820 61.419 62.300 -0.101 0.000 0.921 258 V CB 1.902 33.683 31.823 -0.069 0.000 1.009 258 V HN 0.893 nan 8.190 nan 0.000 0.426 259 K N 4.597 124.943 120.400 -0.090 0.000 2.502 259 K HA 0.633 4.953 4.320 0.001 0.000 0.254 259 K C -0.840 175.706 176.600 -0.091 0.000 0.947 259 K CA -0.758 55.474 56.287 -0.092 0.000 0.834 259 K CB 1.561 34.016 32.500 -0.074 0.000 1.112 259 K HN 0.896 nan 8.250 nan 0.000 0.427 260 L N 2.957 124.092 121.223 -0.147 0.000 2.476 260 L HA 0.084 4.425 4.340 0.001 0.000 0.255 260 L C 1.786 178.606 176.870 -0.084 0.000 1.218 260 L CA -0.610 54.137 54.840 -0.155 0.000 0.819 260 L CB 0.480 42.293 42.059 -0.409 0.000 1.119 260 L HN 0.670 nan 8.230 nan 0.000 0.485 261 Q N 1.158 120.932 119.800 -0.042 0.000 2.152 261 Q HA -0.213 4.127 4.340 0.001 0.000 0.206 261 Q C 1.172 177.165 176.000 -0.013 0.000 0.985 261 Q CA 1.872 57.664 55.803 -0.019 0.000 0.863 261 Q CB -0.396 28.337 28.738 -0.009 0.000 0.904 261 Q HN 0.784 nan 8.270 nan 0.000 0.422 262 D N -1.529 118.869 120.400 -0.003 0.000 2.319 262 D HA 0.095 4.735 4.640 0.001 0.000 0.230 262 D C 1.014 177.316 176.300 0.003 0.000 1.094 262 D CA 0.719 54.731 54.000 0.021 0.000 0.856 262 D CB -0.099 40.747 40.800 0.077 0.000 0.915 262 D HN 0.293 nan 8.370 nan 0.000 0.517 263 G N -0.505 108.278 108.800 -0.028 0.000 2.176 263 G HA2 -0.269 3.691 3.960 0.001 0.000 0.253 263 G HA3 -0.269 3.691 3.960 0.001 0.000 0.253 263 G C 0.416 175.290 174.900 -0.043 0.000 0.979 263 G CA 0.245 45.327 45.100 -0.031 0.000 0.641 263 G HN 0.452 nan 8.290 nan 0.000 0.530 264 T N 1.323 115.834 114.554 -0.073 0.000 2.888 264 T HA 0.456 4.806 4.350 0.001 0.000 0.301 264 T C 0.608 175.242 174.700 -0.111 0.000 1.001 264 T CA 0.331 62.382 62.100 -0.081 0.000 1.147 264 T CB 1.015 69.795 68.868 -0.147 0.000 0.931 264 T HN 0.321 nan 8.240 nan 0.000 0.541 265 L N 4.813 126.001 121.223 -0.058 0.000 2.287 265 L HA 0.588 4.929 4.340 0.001 0.000 0.287 265 L C -0.272 176.569 176.870 -0.049 0.000 1.022 265 L CA -0.479 54.328 54.840 -0.055 0.000 0.814 265 L CB 0.715 42.759 42.059 -0.024 0.000 1.217 265 L HN 0.411 nan 8.230 nan 0.000 0.420 266 L N 2.939 124.117 121.223 -0.074 0.000 2.341 266 L HA 0.533 4.873 4.340 0.001 0.000 0.254 266 L C -0.857 175.968 176.870 -0.075 0.000 1.040 266 L CA -0.845 53.954 54.840 -0.067 0.000 0.837 266 L CB 2.589 44.597 42.059 -0.085 0.000 1.425 266 L HN 0.496 nan 8.230 nan 0.000 0.414 267 N N -0.397 118.250 118.700 -0.088 0.000 2.432 267 N HA 0.748 5.489 4.740 0.001 0.000 0.292 267 N C -1.341 174.088 175.510 -0.136 0.000 1.193 267 N CA -0.859 52.132 53.050 -0.099 0.000 0.878 267 N CB 1.744 40.170 38.487 -0.101 0.000 1.252 267 N HN 0.479 nan 8.380 nan 0.000 0.520 268 R N -0.613 119.817 120.500 -0.116 0.000 2.855 268 R HA 0.488 4.829 4.340 0.001 0.000 0.266 268 R C -1.423 174.806 176.300 -0.119 0.000 1.034 268 R CA -0.805 55.213 56.100 -0.136 0.000 0.944 268 R CB 0.524 30.809 30.300 -0.024 0.000 1.219 268 R HN 0.343 nan 8.270 nan 0.000 0.474 269 Y N 0.367 120.703 120.300 0.060 0.000 2.304 269 Y HA 0.341 4.892 4.550 0.001 0.000 0.327 269 Y C -0.124 175.874 175.900 0.163 0.000 1.209 269 Y CA 0.202 58.355 58.100 0.089 0.000 1.299 269 Y CB 1.060 39.455 38.460 -0.109 0.000 1.249 269 Y HN 0.436 nan 8.280 nan 0.000 0.519 270 W N 3.962 125.312 121.300 0.083 0.000 3.479 270 W HA 0.233 4.894 4.660 0.001 0.000 0.304 270 W C -2.167 174.338 176.519 -0.023 0.000 1.243 270 W CA -0.699 56.634 57.345 -0.019 0.000 1.202 270 W CB 2.229 31.638 29.460 -0.084 0.000 1.346 270 W HN 0.526 nan 8.180 nan 0.000 0.539 271 D N 2.657 122.699 120.400 -0.598 0.000 2.350 271 D HA 0.154 4.794 4.640 0.001 0.000 0.245 271 D C 0.212 176.109 176.300 -0.672 0.000 1.036 271 D CA -0.141 53.609 54.000 -0.416 0.000 0.848 271 D CB 1.931 42.580 40.800 -0.251 0.000 1.307 271 D HN 0.296 nan 8.370 nan 0.000 0.469 272 D N 1.675 121.941 120.400 -0.223 0.000 2.363 272 D HA 0.031 4.672 4.640 0.001 0.000 0.220 272 D C 0.393 176.643 176.300 -0.083 0.000 0.994 272 D CA 0.614 54.582 54.000 -0.054 0.000 0.890 272 D CB 0.482 41.343 40.800 0.103 0.000 0.906 272 D HN 0.197 nan 8.370 nan 0.000 0.530 273 R N 0.421 120.845 120.500 -0.126 0.000 2.758 273 R HA 0.303 4.643 4.340 0.001 0.000 0.265 273 R C -0.323 175.914 176.300 -0.105 0.000 1.016 273 R CA -0.563 55.495 56.100 -0.070 0.000 1.040 273 R CB 0.977 31.264 30.300 -0.022 0.000 1.152 273 R HN -0.107 nan 8.270 nan 0.000 0.503 274 D N -0.828 119.550 120.400 -0.037 0.000 2.819 274 D HA 0.057 4.698 4.640 0.001 0.000 0.326 274 D C -0.487 175.874 176.300 0.102 0.000 1.408 274 D CA -0.402 53.606 54.000 0.014 0.000 0.811 274 D CB 0.413 41.221 40.800 0.015 0.000 1.148 274 D HN 0.501 nan 8.370 nan 0.000 0.457 275 T N -4.106 110.422 114.554 -0.045 0.000 2.907 275 T HA 0.694 5.045 4.350 0.001 0.000 0.290 275 T C -3.019 171.283 174.700 -0.663 0.000 1.066 275 T CA -2.406 59.498 62.100 -0.326 0.000 1.012 275 T CB 1.870 70.651 68.868 -0.145 0.000 1.184 275 T HN -0.308 nan 8.240 nan 0.000 0.522 276 P HA 0.210 nan 4.420 nan 0.000 0.267 276 P C -0.371 176.798 177.300 -0.217 0.000 1.200 276 P CA -0.339 62.227 63.100 -0.890 0.000 0.772 276 P CB 0.284 31.215 31.700 -1.282 0.000 0.855 277 R N 4.635 125.130 120.500 -0.008 0.000 2.449 277 R HA 0.055 4.396 4.340 0.001 0.000 0.296 277 R C -1.521 174.956 176.300 0.294 0.000 1.047 277 R CA -1.037 55.153 56.100 0.150 0.000 1.018 277 R CB -0.430 29.981 30.300 0.186 0.000 0.962 277 R HN 0.430 nan 8.270 nan 0.000 0.428 278 P HA -0.263 nan 4.420 nan 0.000 0.216 278 P C 0.932 178.344 177.300 0.186 0.000 1.153 278 P CA 1.312 64.573 63.100 0.268 0.000 0.858 278 P CB 0.171 31.752 31.700 -0.200 0.000 0.789 279 E N -0.790 119.320 120.200 -0.150 0.000 2.482 279 E HA -0.011 4.339 4.350 0.001 0.000 0.196 279 E C 0.145 176.810 176.600 0.108 0.000 1.047 279 E CA 0.912 57.222 56.400 -0.151 0.000 0.869 279 E CB -0.494 29.010 29.700 -0.327 0.000 0.836 279 E HN 0.105 nan 8.360 nan 0.000 0.520 280 S N 0.594 116.418 115.700 0.207 0.000 2.825 280 S HA 0.109 4.580 4.470 0.001 0.000 0.242 280 S C 0.164 174.921 174.600 0.261 0.000 0.980 280 S CA -0.818 57.529 58.200 0.245 0.000 1.107 280 S CB -0.410 62.952 63.200 0.271 0.000 1.172 280 S HN 0.363 nan 8.310 nan 0.000 0.483 281 W N 2.355 123.710 121.300 0.091 0.000 2.352 281 W HA -0.229 4.432 4.660 0.001 0.000 0.322 281 W C 1.952 178.510 176.519 0.065 0.000 1.208 281 W CA 2.344 59.739 57.345 0.082 0.000 1.286 281 W CB -0.499 29.023 29.460 0.104 0.000 1.167 281 W HN 0.340 nan 8.180 nan 0.000 0.469 282 V N -0.107 119.957 119.914 0.250 0.000 2.343 282 V HA -0.265 3.855 4.120 0.001 0.000 0.247 282 V C 1.877 178.010 176.094 0.065 0.000 1.051 282 V CA 2.475 64.846 62.300 0.118 0.000 1.036 282 V CB -1.153 30.754 31.823 0.140 0.000 0.654 282 V HN 0.094 nan 8.190 nan 0.000 0.451 283 E N 0.982 121.246 120.200 0.106 0.000 2.077 283 E HA -0.173 4.177 4.350 0.001 0.000 0.193 283 E C 1.976 178.617 176.600 0.069 0.000 0.989 283 E CA 1.798 58.258 56.400 0.100 0.000 0.800 283 E CB -0.435 29.359 29.700 0.155 0.000 0.746 283 E HN 0.665 nan 8.360 nan 0.000 0.452 284 D N 0.162 120.601 120.400 0.065 0.000 2.117 284 D HA -0.109 4.531 4.640 0.001 0.000 0.197 284 D C 1.934 178.307 176.300 0.122 0.000 0.987 284 D CA 0.785 54.836 54.000 0.085 0.000 0.829 284 D CB -0.181 40.649 40.800 0.051 0.000 0.961 284 D HN 0.177 nan 8.370 nan 0.000 0.460 285 I N 1.033 121.585 120.570 -0.030 0.000 2.226 285 I HA -0.266 3.905 4.170 0.001 0.000 0.245 285 I C 2.412 178.539 176.117 0.017 0.000 1.100 285 I CA 1.088 62.381 61.300 -0.011 0.000 1.374 285 I CB -0.181 37.713 38.000 -0.176 0.000 1.057 285 I HN -0.063 nan 8.210 nan 0.000 0.413 286 A N 0.245 123.070 122.820 0.008 0.000 1.898 286 A HA -0.193 4.128 4.320 0.001 0.000 0.216 286 A C 2.382 179.961 177.584 -0.008 0.000 1.181 286 A CA 2.348 54.388 52.037 0.006 0.000 0.620 286 A CB -1.095 17.916 19.000 0.018 0.000 0.819 286 A HN 0.376 nan 8.150 nan 0.000 0.442 287 T N 0.423 114.971 114.554 -0.010 0.000 2.684 287 T HA -0.097 4.254 4.350 0.001 0.000 0.267 287 T C 2.194 176.844 174.700 -0.083 0.000 1.036 287 T CA 1.821 63.893 62.100 -0.048 0.000 1.148 287 T CB -0.452 68.375 68.868 -0.069 0.000 0.863 287 T HN 0.604 nan 8.240 nan 0.000 0.436 288 A N 1.303 124.061 122.820 -0.103 0.000 1.898 288 A HA -0.026 4.294 4.320 0.001 0.000 0.216 288 A C 2.185 179.691 177.584 -0.130 0.000 1.181 288 A CA 1.881 53.787 52.037 -0.218 0.000 0.620 288 A CB -0.532 18.190 19.000 -0.464 0.000 0.819 288 A HN 0.416 nan 8.150 nan 0.000 0.442 289 K N 0.859 121.218 120.400 -0.069 0.000 2.218 289 K HA -0.147 4.174 4.320 0.001 0.000 0.205 289 K C 2.007 178.583 176.600 -0.041 0.000 1.046 289 K CA 1.713 57.975 56.287 -0.042 0.000 0.933 289 K CB -0.270 32.220 32.500 -0.016 0.000 0.728 289 K HN 0.598 nan 8.250 nan 0.000 0.454 290 S N -0.567 115.106 115.700 -0.044 0.000 2.515 290 S HA -0.065 4.405 4.470 0.001 0.000 0.231 290 S C 0.493 175.068 174.600 -0.041 0.000 0.987 290 S CA 0.410 58.589 58.200 -0.036 0.000 0.936 290 S CB -0.128 63.053 63.200 -0.031 0.000 0.766 290 S HN 0.290 nan 8.310 nan 0.000 0.528 291 N N 1.213 119.878 118.700 -0.058 0.000 2.675 291 N HA 0.412 5.153 4.740 0.001 0.000 0.254 291 N C -2.947 172.525 175.510 -0.063 0.000 1.224 291 N CA -1.977 51.040 53.050 -0.055 0.000 0.777 291 N CB 1.664 40.116 38.487 -0.058 0.000 1.256 291 N HN -0.056 nan 8.380 nan 0.000 0.531 292 P HA 0.151 nan 4.420 nan 0.000 0.242 292 P C 0.339 177.614 177.300 -0.042 0.000 1.197 292 P CA 0.503 63.576 63.100 -0.046 0.000 0.765 292 P CB 0.399 32.082 31.700 -0.030 0.000 0.936 293 N N -0.719 117.957 118.700 -0.041 0.000 2.325 293 N HA 0.022 4.762 4.740 0.001 0.000 0.182 293 N C 0.660 176.147 175.510 -0.039 0.000 1.088 293 N CA 0.191 53.222 53.050 -0.033 0.000 0.879 293 N CB 0.329 38.801 38.487 -0.024 0.000 0.983 293 N HN 0.173 nan 8.380 nan 0.000 0.471 294 R N 1.703 122.169 120.500 -0.056 0.000 2.346 294 R HA 0.333 4.674 4.340 0.001 0.000 0.311 294 R C -2.616 173.631 176.300 -0.087 0.000 0.983 294 R CA -1.571 54.490 56.100 -0.065 0.000 0.880 294 R CB 1.020 31.276 30.300 -0.073 0.000 1.100 294 R HN -0.194 nan 8.270 nan 0.000 0.453 295 P HA -0.036 nan 4.420 nan 0.000 0.260 295 P C -0.177 177.031 177.300 -0.155 0.000 1.185 295 P CA 0.323 63.374 63.100 -0.082 0.000 0.763 295 P CB 1.051 32.721 31.700 -0.050 0.000 0.776 296 A N 4.151 126.850 122.820 -0.201 0.000 1.917 296 A HA -0.237 4.083 4.320 0.001 0.000 0.219 296 A C 2.093 179.376 177.584 -0.503 0.000 1.182 296 A CA 2.583 54.354 52.037 -0.442 0.000 0.633 296 A CB -1.913 16.863 19.000 -0.375 0.000 0.819 296 A HN 0.589 nan 8.150 nan 0.000 0.448 297 T N -1.748 112.715 114.554 -0.150 0.000 2.737 297 T HA -0.227 4.123 4.350 0.001 0.000 0.269 297 T C 1.576 176.240 174.700 -0.059 0.000 1.040 297 T CA 1.713 63.814 62.100 0.002 0.000 1.142 297 T CB -0.504 68.386 68.868 0.037 0.000 0.861 297 T HN 0.665 nan 8.240 nan 0.000 0.456 298 E N 0.817 120.957 120.200 -0.099 0.000 2.077 298 E HA 0.002 4.353 4.350 0.001 0.000 0.193 298 E C 2.211 178.739 176.600 -0.120 0.000 0.989 298 E CA 1.186 57.534 56.400 -0.086 0.000 0.800 298 E CB -0.328 29.333 29.700 -0.065 0.000 0.746 298 E HN 0.565 nan 8.360 nan 0.000 0.452 299 I N 0.248 120.692 120.570 -0.211 0.000 2.252 299 I HA -0.273 3.897 4.170 0.001 0.000 0.245 299 I C 1.991 178.022 176.117 -0.143 0.000 1.102 299 I CA 1.007 62.171 61.300 -0.226 0.000 1.385 299 I CB -0.234 37.561 38.000 -0.341 0.000 1.064 299 I HN 0.118 nan 8.210 nan 0.000 0.414 300 Y N 0.654 120.902 120.300 -0.086 0.000 2.145 300 Y HA -0.237 4.313 4.550 0.001 0.000 0.286 300 Y C 2.736 178.574 175.900 -0.102 0.000 1.145 300 Y CA 1.277 59.325 58.100 -0.087 0.000 1.148 300 Y CB -0.945 37.459 38.460 -0.093 0.000 0.981 300 Y HN 0.079 nan 8.280 nan 0.000 0.507 301 R N 0.629 121.135 120.500 0.011 0.000 2.105 301 R HA -0.150 4.190 4.340 0.001 0.000 0.239 301 R C 1.595 177.804 176.300 -0.152 0.000 1.135 301 R CA 2.033 58.040 56.100 -0.156 0.000 0.967 301 R CB -0.407 29.734 30.300 -0.265 0.000 0.861 301 R HN 0.180 nan 8.270 nan 0.000 0.442 302 D N -0.151 120.194 120.400 -0.090 0.000 2.194 302 D HA -0.066 4.574 4.640 0.001 0.000 0.204 302 D C 1.881 178.166 176.300 -0.024 0.000 0.964 302 D CA 0.913 54.866 54.000 -0.079 0.000 0.846 302 D CB -0.001 40.767 40.800 -0.054 0.000 0.962 302 D HN 0.257 nan 8.370 nan 0.000 0.490 303 L N 0.464 121.710 121.223 0.038 0.000 1.994 303 L HA -0.135 4.206 4.340 0.001 0.000 0.208 303 L C 2.591 179.589 176.870 0.213 0.000 1.071 303 L CA 1.206 56.156 54.840 0.183 0.000 0.745 303 L CB -0.221 41.933 42.059 0.159 0.000 0.892 303 L HN -0.088 nan 8.230 nan 0.000 0.431 304 R N -0.692 119.863 120.500 0.092 0.000 2.105 304 R HA -0.131 4.210 4.340 0.001 0.000 0.239 304 R C 2.443 178.718 176.300 -0.042 0.000 1.135 304 R CA 1.615 57.739 56.100 0.041 0.000 0.967 304 R CB -0.377 29.910 30.300 -0.020 0.000 0.861 304 R HN 0.269 nan 8.270 nan 0.000 0.442 305 S N 0.474 116.108 115.700 -0.111 0.000 2.387 305 S HA -0.060 4.411 4.470 0.001 0.000 0.226 305 S C 2.010 176.442 174.600 -0.280 0.000 1.026 305 S CA 1.008 59.112 58.200 -0.161 0.000 0.972 305 S CB 0.001 63.103 63.200 -0.163 0.000 0.814 305 S HN 0.466 nan 8.310 nan 0.000 0.477 306 A N 1.493 124.146 122.820 -0.279 0.000 1.969 306 A HA 0.181 4.501 4.320 0.001 0.000 0.218 306 A C 2.298 179.711 177.584 -0.285 0.000 1.169 306 A CA 1.506 53.308 52.037 -0.393 0.000 0.635 306 A CB -0.870 18.097 19.000 -0.056 0.000 0.810 306 A HN 0.494 nan 8.150 nan 0.000 0.445 307 A N -0.044 122.681 122.820 -0.159 0.000 1.930 307 A HA 0.200 4.520 4.320 0.001 0.000 0.217 307 A C 2.467 179.916 177.584 -0.225 0.000 1.175 307 A CA 1.823 53.763 52.037 -0.163 0.000 0.627 307 A CB -0.941 18.060 19.000 0.002 0.000 0.815 307 A HN 1.034 nan 8.150 nan 0.000 0.443 308 A N 0.468 123.156 122.820 -0.221 0.000 1.978 308 A HA -0.120 4.200 4.320 0.001 0.000 0.220 308 A C 2.423 179.596 177.584 -0.685 0.000 1.170 308 A CA 2.271 54.162 52.037 -0.244 0.000 0.636 308 A CB -0.927 18.047 19.000 -0.042 0.000 0.810 308 A HN 1.064 nan 8.150 nan 0.000 0.448 309 S N -1.976 113.085 115.700 -1.065 0.000 2.515 309 S HA 0.295 4.766 4.470 0.001 0.000 0.231 309 S C 1.676 175.659 174.600 -1.027 0.000 0.987 309 S CA 1.232 58.397 58.200 -1.724 0.000 0.936 309 S CB -0.423 62.124 63.200 -1.088 0.000 0.766 309 S HN 1.933 nan 8.310 nan 0.000 0.528 310 G N 0.188 108.548 108.800 -0.733 0.000 2.320 310 G HA2 -0.269 3.691 3.960 0.001 0.000 0.242 310 G HA3 -0.269 3.691 3.960 0.001 0.000 0.242 310 G C -0.097 174.350 174.900 -0.754 0.000 1.033 310 G CA 0.195 44.913 45.100 -0.637 0.000 0.620 310 G HN 0.553 nan 8.290 nan 0.000 0.517 311 W N 3.870 124.578 121.300 -0.986 0.000 1.705 311 W HA 0.498 5.159 4.660 0.001 0.000 0.361 311 W C -0.059 176.244 176.519 -0.360 0.000 0.690 311 W CA -0.971 55.719 57.345 -1.092 0.000 1.989 311 W CB -0.023 29.238 29.460 -0.332 0.000 1.903 311 W HN 0.326 nan 8.180 nan 0.000 0.364 312 D N 0.492 120.689 120.400 -0.339 0.000 2.396 312 D HA 0.302 4.943 4.640 0.001 0.000 0.225 312 D C -0.441 175.667 176.300 -0.321 0.000 1.121 312 D CA -0.272 53.310 54.000 -0.697 0.000 0.853 312 D CB 0.736 40.888 40.800 -1.081 0.000 1.043 312 D HN -0.078 nan 8.370 nan 0.000 0.500 313 F N 0.427 120.657 119.950 0.466 0.000 2.661 313 F HA 0.632 5.160 4.527 0.001 0.000 0.347 313 F C 0.521 176.605 175.800 0.474 0.000 1.086 313 F CA -1.075 57.188 58.000 0.438 0.000 1.016 313 F CB 2.082 41.280 39.000 0.329 0.000 1.368 313 F HN 0.317 nan 8.300 nan 0.000 0.505 314 S N -1.158 114.918 115.700 0.626 0.000 2.543 314 S HA 0.309 4.779 4.470 0.001 0.000 0.274 314 S C 0.345 175.066 174.600 0.202 0.000 1.149 314 S CA -0.051 58.375 58.200 0.377 0.000 0.866 314 S CB 1.076 64.494 63.200 0.363 0.000 1.111 314 S HN 0.795 nan 8.310 nan 0.000 0.457 315 S N 3.469 119.253 115.700 0.139 0.000 2.419 315 S HA -0.182 4.289 4.470 0.001 0.000 0.235 315 S C 1.792 176.374 174.600 -0.030 0.000 1.019 315 S CA 1.322 59.566 58.200 0.074 0.000 0.982 315 S CB -0.564 62.674 63.200 0.064 0.000 0.789 315 S HN 0.779 nan 8.310 nan 0.000 0.490 316 R N 0.316 120.700 120.500 -0.194 0.000 2.154 316 R HA -0.139 4.202 4.340 0.001 0.000 0.248 316 R C 1.188 177.231 176.300 -0.429 0.000 1.155 316 R CA 2.066 57.873 56.100 -0.489 0.000 0.979 316 R CB -0.287 29.412 30.300 -1.001 0.000 0.869 316 R HN 0.735 nan 8.270 nan 0.000 0.452 317 W N -0.778 120.576 121.300 0.091 0.000 3.220 317 W HA 0.307 4.967 4.660 0.001 0.000 0.328 317 W C -0.148 176.406 176.519 0.058 0.000 1.205 317 W CA -0.959 56.426 57.345 0.067 0.000 1.773 317 W CB 0.430 29.950 29.460 0.100 0.000 1.086 317 W HN -0.118 nan 8.180 nan 0.000 0.622 318 M N 1.012 120.738 119.600 0.211 0.000 2.336 318 M HA 0.199 4.680 4.480 0.001 0.000 0.342 318 M C 0.493 176.845 176.300 0.086 0.000 1.128 318 M CA -0.456 54.933 55.300 0.148 0.000 1.016 318 M CB 1.762 34.443 32.600 0.136 0.000 1.665 318 M HN -0.201 nan 8.290 nan 0.000 0.445 319 D N 1.103 121.542 120.400 0.064 0.000 2.144 319 D HA -0.072 4.569 4.640 0.001 0.000 0.200 319 D C 0.262 176.581 176.300 0.033 0.000 0.978 319 D CA 1.548 55.571 54.000 0.038 0.000 0.833 319 D CB 0.101 40.916 40.800 0.025 0.000 0.961 319 D HN 0.451 nan 8.370 nan 0.000 0.470 320 N N -0.443 118.279 118.700 0.037 0.000 2.491 320 N HA 0.174 4.915 4.740 0.001 0.000 0.274 320 N C -2.346 173.192 175.510 0.047 0.000 1.023 320 N CA -2.006 51.065 53.050 0.034 0.000 0.902 320 N CB 2.189 40.690 38.487 0.024 0.000 1.267 320 N HN -0.309 nan 8.380 nan 0.000 0.503 321 P HA -0.074 nan 4.420 nan 0.000 0.222 321 P C 0.631 177.972 177.300 0.068 0.000 1.147 321 P CA 1.034 64.175 63.100 0.069 0.000 0.790 321 P CB 0.418 32.154 31.700 0.061 0.000 0.780 322 Q N -1.146 118.684 119.800 0.050 0.000 2.444 322 Q HA 0.031 4.371 4.340 0.001 0.000 0.206 322 Q C 0.520 176.543 176.000 0.038 0.000 0.948 322 Q CA 0.729 56.559 55.803 0.045 0.000 0.946 322 Q CB 0.063 28.821 28.738 0.034 0.000 1.027 322 Q HN 0.276 nan 8.270 nan 0.000 0.513 323 Q N 0.325 120.147 119.800 0.036 0.000 2.350 323 Q HA 0.179 4.519 4.340 0.001 0.000 0.255 323 Q C -0.134 175.871 176.000 0.008 0.000 0.951 323 Q CA -0.160 55.654 55.803 0.018 0.000 0.751 323 Q CB 0.956 29.700 28.738 0.010 0.000 1.296 323 Q HN 0.034 nan 8.270 nan 0.000 0.453 324 L N 3.698 124.912 121.223 -0.015 0.000 2.141 324 L HA -0.052 4.289 4.340 0.001 0.000 0.209 324 L C 1.350 178.172 176.870 -0.080 0.000 1.094 324 L CA 2.327 57.129 54.840 -0.063 0.000 0.763 324 L CB -0.465 41.508 42.059 -0.143 0.000 0.908 324 L HN 0.885 nan 8.230 nan 0.000 0.437 325 N N -1.285 117.374 118.700 -0.068 0.000 2.651 325 N HA -0.166 4.575 4.740 0.001 0.000 0.193 325 N C 1.167 176.648 175.510 -0.048 0.000 1.149 325 N CA 1.386 54.393 53.050 -0.072 0.000 0.933 325 N CB -1.090 37.355 38.487 -0.069 0.000 0.974 325 N HN 0.542 nan 8.380 nan 0.000 0.448 326 T N -2.518 112.024 114.554 -0.020 0.000 3.134 326 T HA 0.193 4.544 4.350 0.001 0.000 0.260 326 T C 0.779 175.498 174.700 0.032 0.000 1.027 326 T CA -0.855 61.247 62.100 0.002 0.000 0.913 326 T CB -0.698 68.178 68.868 0.014 0.000 1.046 326 T HN 0.344 nan 8.240 nan 0.000 0.553 327 L N 0.557 121.802 121.223 0.037 0.000 2.439 327 L HA 0.564 4.905 4.340 0.001 0.000 0.269 327 L C 0.139 177.052 176.870 0.071 0.000 1.179 327 L CA -0.938 53.965 54.840 0.105 0.000 0.828 327 L CB 0.497 42.649 42.059 0.154 0.000 1.106 327 L HN 0.233 nan 8.230 nan 0.000 0.467 328 R N 0.792 121.359 120.500 0.111 0.000 2.701 328 R HA 0.237 4.578 4.340 0.001 0.000 0.281 328 R C 0.248 176.592 176.300 0.074 0.000 1.367 328 R CA -0.328 55.810 56.100 0.065 0.000 1.510 328 R CB -0.081 30.249 30.300 0.051 0.000 1.306 328 R HN 0.777 nan 8.270 nan 0.000 0.682 329 T N 0.331 114.890 114.554 0.007 0.000 2.653 329 T HA -0.255 4.096 4.350 0.001 0.000 0.268 329 T C 1.957 176.612 174.700 -0.075 0.000 1.035 329 T CA 2.663 64.664 62.100 -0.165 0.000 1.154 329 T CB -0.234 68.361 68.868 -0.454 0.000 0.862 329 T HN 0.640 nan 8.240 nan 0.000 0.441 330 T N 0.679 115.231 114.554 -0.003 0.000 3.113 330 T HA 0.014 4.364 4.350 0.001 0.000 0.263 330 T C 1.802 176.558 174.700 0.093 0.000 1.143 330 T CA 0.920 63.080 62.100 0.100 0.000 1.090 330 T CB -0.440 68.574 68.868 0.243 0.000 0.922 330 T HN 0.488 nan 8.240 nan 0.000 0.521 331 S N 0.377 116.115 115.700 0.063 0.000 2.634 331 S HA 0.403 4.873 4.470 0.001 0.000 0.221 331 S C 0.230 174.854 174.600 0.041 0.000 0.952 331 S CA -0.811 57.411 58.200 0.037 0.000 0.930 331 S CB -0.665 62.541 63.200 0.010 0.000 0.780 331 S HN 0.574 nan 8.310 nan 0.000 0.498 332 I N 1.741 122.365 120.570 0.089 0.000 2.418 332 I HA 0.353 4.524 4.170 0.001 0.000 0.287 332 I C -0.901 175.306 176.117 0.150 0.000 1.008 332 I CA -1.102 60.285 61.300 0.146 0.000 1.104 332 I CB 2.269 40.450 38.000 0.302 0.000 1.264 332 I HN -0.088 nan 8.210 nan 0.000 0.438 333 V N 8.270 128.277 119.914 0.156 0.000 2.389 333 V HA 0.246 4.367 4.120 0.001 0.000 0.264 333 V C -2.256 173.911 176.094 0.122 0.000 1.049 333 V CA -1.585 60.789 62.300 0.124 0.000 0.932 333 V CB 0.546 32.470 31.823 0.168 0.000 1.011 333 V HN 0.535 nan 8.190 nan 0.000 0.475 334 P HA 0.193 nan 4.420 nan 0.000 0.286 334 P C 0.695 177.972 177.300 -0.038 0.000 1.269 334 P CA -0.137 62.997 63.100 0.057 0.000 0.787 334 P CB 1.744 33.512 31.700 0.112 0.000 0.920 335 V N 2.869 122.763 119.914 -0.033 0.000 2.667 335 V HA -0.194 3.927 4.120 0.001 0.000 0.252 335 V C 1.348 177.376 176.094 -0.109 0.000 1.065 335 V CA 2.476 64.767 62.300 -0.015 0.000 1.083 335 V CB -0.881 30.988 31.823 0.076 0.000 0.692 335 V HN 0.536 nan 8.190 nan 0.000 0.468 336 D N 0.135 120.367 120.400 -0.280 0.000 2.091 336 D HA -0.202 4.438 4.640 0.001 0.000 0.199 336 D C 2.049 178.102 176.300 -0.413 0.000 0.980 336 D CA 1.592 55.220 54.000 -0.621 0.000 0.831 336 D CB -1.016 38.968 40.800 -1.361 0.000 0.987 336 D HN 0.414 nan 8.370 nan 0.000 0.460 337 L N 1.119 122.142 121.223 -0.333 0.000 2.021 337 L HA -0.196 4.145 4.340 0.001 0.000 0.215 337 L C 1.653 178.338 176.870 -0.307 0.000 1.074 337 L CA 1.924 56.531 54.840 -0.390 0.000 0.760 337 L CB -0.978 40.664 42.059 -0.695 0.000 0.889 337 L HN 0.010 nan 8.230 nan 0.000 0.433 338 N N -1.032 117.545 118.700 -0.204 0.000 2.270 338 N HA -0.113 4.628 4.740 0.001 0.000 0.181 338 N C 1.780 177.276 175.510 -0.024 0.000 1.016 338 N CA 1.308 54.293 53.050 -0.109 0.000 0.870 338 N CB -0.030 38.421 38.487 -0.060 0.000 0.979 338 N HN 0.406 nan 8.380 nan 0.000 0.431 339 S N 1.546 117.241 115.700 -0.009 0.000 2.370 339 S HA -0.036 4.434 4.470 0.001 0.000 0.226 339 S C 2.151 176.822 174.600 0.119 0.000 1.033 339 S CA 0.775 59.031 58.200 0.093 0.000 1.011 339 S CB -0.236 63.074 63.200 0.185 0.000 0.852 339 S HN 0.266 nan 8.310 nan 0.000 0.457 340 L N 0.661 121.885 121.223 0.001 0.000 2.141 340 L HA -0.085 4.255 4.340 0.001 0.000 0.209 340 L C 2.479 179.251 176.870 -0.164 0.000 1.094 340 L CA 0.731 55.493 54.840 -0.130 0.000 0.763 340 L CB -0.464 41.423 42.059 -0.286 0.000 0.908 340 L HN 0.316 nan 8.230 nan 0.000 0.437 341 M N -1.008 118.499 119.600 -0.154 0.000 2.132 341 M HA -0.198 4.283 4.480 0.001 0.000 0.263 341 M C 2.341 178.646 176.300 0.007 0.000 1.065 341 M CA 1.638 56.878 55.300 -0.100 0.000 1.122 341 M CB -1.166 31.383 32.600 -0.085 0.000 1.365 341 M HN 0.189 nan 8.290 nan 0.000 0.411 342 F N 1.562 121.468 119.950 -0.074 0.000 2.095 342 F HA -0.249 4.279 4.527 0.001 0.000 0.298 342 F C 2.377 178.128 175.800 -0.083 0.000 1.104 342 F CA 1.927 59.895 58.000 -0.052 0.000 1.232 342 F CB -0.326 38.651 39.000 -0.038 0.000 0.987 342 F HN 0.023 nan 8.300 nan 0.000 0.475 343 K N 0.476 120.806 120.400 -0.117 0.000 2.097 343 K HA -0.210 4.111 4.320 0.001 0.000 0.206 343 K C 2.296 178.717 176.600 -0.298 0.000 1.049 343 K CA 1.839 57.970 56.287 -0.259 0.000 0.933 343 K CB -0.571 31.841 32.500 -0.146 0.000 0.717 343 K HN 0.492 nan 8.250 nan 0.000 0.442 344 M N 0.232 119.692 119.600 -0.233 0.000 2.086 344 M HA -0.204 4.277 4.480 0.001 0.000 0.261 344 M C 1.542 177.636 176.300 -0.343 0.000 1.067 344 M CA 1.836 57.003 55.300 -0.221 0.000 1.116 344 M CB -0.103 32.430 32.600 -0.113 0.000 1.348 344 M HN 0.170 nan 8.290 nan 0.000 0.407 345 E N 0.050 120.036 120.200 -0.357 0.000 2.085 345 E HA -0.221 4.130 4.350 0.001 0.000 0.194 345 E C 2.012 178.373 176.600 -0.399 0.000 0.994 345 E CA 1.229 57.387 56.400 -0.403 0.000 0.801 345 E CB -0.046 29.516 29.700 -0.231 0.000 0.743 345 E HN 0.398 nan 8.360 nan 0.000 0.453 346 K N 0.521 120.631 120.400 -0.483 0.000 2.057 346 K HA -0.080 4.241 4.320 0.001 0.000 0.206 346 K C 2.166 178.585 176.600 -0.302 0.000 1.050 346 K CA 0.883 56.915 56.287 -0.425 0.000 0.935 346 K CB -0.263 31.901 32.500 -0.561 0.000 0.715 346 K HN 0.228 nan 8.250 nan 0.000 0.439 347 I N 1.038 121.427 120.570 -0.301 0.000 2.315 347 I HA -0.247 3.924 4.170 0.001 0.000 0.248 347 I C 2.297 178.258 176.117 -0.261 0.000 1.117 347 I CA 0.817 61.977 61.300 -0.234 0.000 1.404 347 I CB -0.209 37.669 38.000 -0.204 0.000 1.071 347 I HN 0.033 nan 8.210 nan 0.000 0.419 348 L N 0.436 121.418 121.223 -0.401 0.000 2.083 348 L HA -0.212 4.128 4.340 0.001 0.000 0.209 348 L C 2.858 179.473 176.870 -0.425 0.000 1.083 348 L CA 1.304 55.779 54.840 -0.608 0.000 0.752 348 L CB -0.632 40.671 42.059 -1.259 0.000 0.899 348 L HN 0.246 nan 8.230 nan 0.000 0.433 349 A N 0.185 122.860 122.820 -0.242 0.000 1.883 349 A HA -0.248 4.072 4.320 0.001 0.000 0.217 349 A C 2.367 179.922 177.584 -0.047 0.000 1.186 349 A CA 1.792 53.812 52.037 -0.029 0.000 0.624 349 A CB -0.512 18.473 19.000 -0.025 0.000 0.822 349 A HN 0.338 nan 8.150 nan 0.000 0.444 350 R N -0.739 119.706 120.500 -0.092 0.000 2.081 350 R HA -0.050 4.290 4.340 0.001 0.000 0.235 350 R C 2.505 178.773 176.300 -0.053 0.000 1.131 350 R CA 1.199 57.259 56.100 -0.067 0.000 0.960 350 R CB -0.453 29.799 30.300 -0.080 0.000 0.856 350 R HN 0.523 nan 8.270 nan 0.000 0.436 351 A N 0.536 123.312 122.820 -0.074 0.000 1.898 351 A HA -0.129 4.192 4.320 0.001 0.000 0.216 351 A C 2.215 179.788 177.584 -0.018 0.000 1.181 351 A CA 1.593 53.601 52.037 -0.049 0.000 0.620 351 A CB -0.439 18.523 19.000 -0.063 0.000 0.819 351 A HN 0.212 nan 8.150 nan 0.000 0.442 352 S N -0.474 115.225 115.700 -0.002 0.000 2.359 352 S HA -0.197 4.274 4.470 0.001 0.000 0.224 352 S C 2.043 176.664 174.600 0.035 0.000 1.035 352 S CA 1.752 59.986 58.200 0.058 0.000 1.018 352 S CB -0.263 63.032 63.200 0.160 0.000 0.876 352 S HN 0.660 nan 8.310 nan 0.000 0.448 353 K N 1.140 121.552 120.400 0.020 0.000 2.026 353 K HA -0.062 4.259 4.320 0.001 0.000 0.208 353 K C 2.206 178.805 176.600 -0.000 0.000 1.048 353 K CA 1.220 57.511 56.287 0.008 0.000 0.929 353 K CB -0.340 32.159 32.500 -0.001 0.000 0.713 353 K HN 0.311 nan 8.250 nan 0.000 0.439 354 A N 0.677 123.493 122.820 -0.007 0.000 2.019 354 A HA -0.045 4.276 4.320 0.001 0.000 0.219 354 A C 2.050 179.631 177.584 -0.006 0.000 1.164 354 A CA 1.653 53.684 52.037 -0.010 0.000 0.644 354 A CB -0.452 18.539 19.000 -0.015 0.000 0.805 354 A HN 0.445 nan 8.150 nan 0.000 0.449 355 A N -1.737 121.083 122.820 0.001 0.000 2.238 355 A HA 0.423 4.743 4.320 0.001 0.000 0.208 355 A C 1.655 179.242 177.584 0.005 0.000 1.177 355 A CA 1.090 53.129 52.037 0.003 0.000 0.804 355 A CB -0.900 18.107 19.000 0.012 0.000 0.823 355 A HN 1.848 nan 8.150 nan 0.000 0.482 356 G N -0.148 108.655 108.800 0.005 0.000 2.132 356 G HA2 -0.169 3.792 3.960 0.001 0.000 0.228 356 G HA3 -0.169 3.792 3.960 0.001 0.000 0.228 356 G C -0.569 174.337 174.900 0.009 0.000 1.000 356 G CA 0.134 45.237 45.100 0.004 0.000 0.693 356 G HN 0.537 nan 8.290 nan 0.000 0.515 357 D N 0.380 120.790 120.400 0.017 0.000 2.458 357 D HA 0.291 4.932 4.640 0.001 0.000 0.258 357 D C 0.956 177.268 176.300 0.019 0.000 1.134 357 D CA -0.622 53.390 54.000 0.019 0.000 0.915 357 D CB 0.566 41.386 40.800 0.033 0.000 1.028 357 D HN 0.221 nan 8.370 nan 0.000 0.508 358 N N 1.059 119.764 118.700 0.009 0.000 2.270 358 N HA -0.102 4.639 4.740 0.001 0.000 0.181 358 N C 1.911 177.422 175.510 0.001 0.000 1.016 358 N CA 0.800 53.854 53.050 0.007 0.000 0.870 358 N CB 0.145 38.632 38.487 0.001 0.000 0.979 358 N HN 0.368 nan 8.380 nan 0.000 0.431 359 A N 0.672 123.488 122.820 -0.006 0.000 1.930 359 A HA -0.054 4.267 4.320 0.001 0.000 0.217 359 A C 2.128 179.690 177.584 -0.037 0.000 1.175 359 A CA 0.970 52.995 52.037 -0.019 0.000 0.627 359 A CB -0.505 18.483 19.000 -0.021 0.000 0.815 359 A HN 0.280 nan 8.150 nan 0.000 0.443 360 M N -0.446 119.137 119.600 -0.027 0.000 2.175 360 M HA -0.069 4.411 4.480 0.001 0.000 0.264 360 M C 2.229 178.529 176.300 -0.000 0.000 1.063 360 M CA 1.423 56.690 55.300 -0.054 0.000 1.119 360 M CB -0.188 32.419 32.600 0.011 0.000 1.377 360 M HN 0.428 nan 8.290 nan 0.000 0.415 361 A N 0.823 123.679 122.820 0.059 0.000 1.877 361 A HA -0.195 4.125 4.320 0.001 0.000 0.216 361 A C 1.756 179.369 177.584 0.049 0.000 1.186 361 A CA 2.050 54.142 52.037 0.091 0.000 0.620 361 A CB -0.955 18.072 19.000 0.045 0.000 0.822 361 A HN 0.605 nan 8.150 nan 0.000 0.443 362 N N -0.138 118.565 118.700 0.005 0.000 2.166 362 N HA -0.158 4.583 4.740 0.001 0.000 0.186 362 N C 1.882 177.375 175.510 -0.028 0.000 1.019 362 N CA 1.519 54.564 53.050 -0.008 0.000 0.856 362 N CB -0.463 38.017 38.487 -0.013 0.000 0.993 362 N HN 0.682 nan 8.380 nan 0.000 0.426 363 Q N -0.385 119.366 119.800 -0.082 0.000 2.050 363 Q HA -0.120 4.221 4.340 0.001 0.000 0.202 363 Q C 1.607 177.522 176.000 -0.141 0.000 0.980 363 Q CA 1.313 57.028 55.803 -0.146 0.000 0.840 363 Q CB -0.211 28.366 28.738 -0.268 0.000 0.898 363 Q HN 0.432 nan 8.270 nan 0.000 0.424 364 Y N 0.628 120.895 120.300 -0.055 0.000 2.224 364 Y HA -0.200 4.351 4.550 0.001 0.000 0.289 364 Y C 2.296 178.136 175.900 -0.100 0.000 1.146 364 Y CA 1.293 59.329 58.100 -0.107 0.000 1.182 364 Y CB -0.208 38.157 38.460 -0.158 0.000 0.983 364 Y HN 0.122 nan 8.280 nan 0.000 0.524 365 E N -0.239 120.001 120.200 0.066 0.000 2.077 365 E HA -0.152 4.199 4.350 0.001 0.000 0.193 365 E C 2.144 178.763 176.600 0.032 0.000 0.989 365 E CA 2.008 58.420 56.400 0.020 0.000 0.800 365 E CB -0.346 29.361 29.700 0.012 0.000 0.746 365 E HN 0.341 nan 8.360 nan 0.000 0.452 366 T N 0.641 115.210 114.554 0.024 0.000 2.746 366 T HA -0.127 4.224 4.350 0.001 0.000 0.267 366 T C 1.851 176.582 174.700 0.052 0.000 1.039 366 T CA 1.315 63.433 62.100 0.030 0.000 1.142 366 T CB -0.269 68.603 68.868 0.007 0.000 0.866 366 T HN 0.117 nan 8.240 nan 0.000 0.444 367 L N 0.757 122.015 121.223 0.057 0.000 2.046 367 L HA -0.091 4.249 4.340 0.001 0.000 0.208 367 L C 3.054 179.993 176.870 0.116 0.000 1.077 367 L CA 1.255 56.154 54.840 0.098 0.000 0.747 367 L CB -0.687 41.455 42.059 0.138 0.000 0.896 367 L HN 0.238 nan 8.230 nan 0.000 0.432 368 A N 0.209 123.076 122.820 0.078 0.000 1.902 368 A HA -0.218 4.103 4.320 0.001 0.000 0.217 368 A C 2.062 179.817 177.584 0.285 0.000 1.181 368 A CA 1.935 54.036 52.037 0.107 0.000 0.623 368 A CB -0.575 18.332 19.000 -0.156 0.000 0.818 368 A HN 0.443 nan 8.150 nan 0.000 0.443 369 N N 0.594 119.402 118.700 0.180 0.000 2.120 369 N HA -0.120 4.621 4.740 0.001 0.000 0.188 369 N C 1.886 177.473 175.510 0.128 0.000 1.024 369 N CA 1.652 54.797 53.050 0.158 0.000 0.852 369 N CB -0.665 37.879 38.487 0.094 0.000 1.003 369 N HN 0.474 nan 8.380 nan 0.000 0.424 370 A N 1.153 124.040 122.820 0.112 0.000 1.902 370 A HA -0.151 4.169 4.320 0.001 0.000 0.217 370 A C 2.312 179.960 177.584 0.107 0.000 1.181 370 A CA 1.697 53.789 52.037 0.093 0.000 0.623 370 A CB -0.484 18.564 19.000 0.079 0.000 0.818 370 A HN 0.216 nan 8.150 nan 0.000 0.443 371 R N -0.094 120.498 120.500 0.155 0.000 2.080 371 R HA -0.194 4.147 4.340 0.001 0.000 0.236 371 R C 2.389 178.750 176.300 0.103 0.000 1.137 371 R CA 2.233 58.432 56.100 0.166 0.000 0.943 371 R CB -0.691 29.773 30.300 0.273 0.000 0.846 371 R HN 0.682 nan 8.270 nan 0.000 0.431 372 Q N -0.030 119.823 119.800 0.088 0.000 2.112 372 Q HA -0.218 4.123 4.340 0.001 0.000 0.206 372 Q C 1.888 177.862 176.000 -0.043 0.000 0.987 372 Q CA 2.378 58.102 55.803 -0.133 0.000 0.858 372 Q CB 0.054 28.691 28.738 -0.169 0.000 0.905 372 Q HN 0.155 nan 8.270 nan 0.000 0.420 373 K N -0.636 119.774 120.400 0.018 0.000 2.057 373 K HA -0.083 4.237 4.320 0.001 0.000 0.207 373 K C 2.066 178.699 176.600 0.054 0.000 1.049 373 K CA 1.070 57.370 56.287 0.023 0.000 0.931 373 K CB -1.087 31.434 32.500 0.036 0.000 0.714 373 K HN 0.664 nan 8.250 nan 0.000 0.440 374 G N 0.528 109.384 108.800 0.092 0.000 2.422 374 G HA2 -0.152 3.808 3.960 0.001 0.000 0.218 374 G HA3 -0.152 3.808 3.960 0.001 0.000 0.218 374 G C 1.539 176.538 174.900 0.165 0.000 1.140 374 G CA 0.780 45.985 45.100 0.176 0.000 0.775 374 G HN 0.426 nan 8.290 nan 0.000 0.545 375 I N 0.618 121.242 120.570 0.090 0.000 2.142 375 I HA -0.127 4.044 4.170 0.001 0.000 0.240 375 I C 2.637 178.869 176.117 0.192 0.000 1.078 375 I CA 1.067 62.432 61.300 0.108 0.000 1.343 375 I CB -0.118 37.878 38.000 -0.006 0.000 1.046 375 I HN 0.100 nan 8.210 nan 0.000 0.405 376 E N 0.682 120.951 120.200 0.113 0.000 2.204 376 E HA -0.229 4.122 4.350 0.001 0.000 0.194 376 E C 1.970 178.591 176.600 0.035 0.000 0.989 376 E CA 1.003 57.453 56.400 0.084 0.000 0.824 376 E CB -0.102 29.575 29.700 -0.039 0.000 0.756 376 E HN 0.491 nan 8.360 nan 0.000 0.477 377 K N -0.471 119.913 120.400 -0.026 0.000 2.099 377 K HA -0.039 4.281 4.320 0.001 0.000 0.203 377 K C 1.289 177.682 176.600 -0.344 0.000 1.047 377 K CA 0.649 56.797 56.287 -0.232 0.000 0.963 377 K CB 0.128 32.385 32.500 -0.406 0.000 0.759 377 K HN 0.007 nan 8.250 nan 0.000 0.451 378 Y N -0.191 120.105 120.300 -0.008 0.000 2.442 378 Y HA 0.262 4.813 4.550 0.001 0.000 0.250 378 Y C 0.875 176.814 175.900 0.065 0.000 1.113 378 Y CA 0.025 58.059 58.100 -0.111 0.000 1.273 378 Y CB 0.776 38.979 38.460 -0.429 0.000 1.138 378 Y HN -0.068 nan 8.280 nan 0.000 0.522 379 L N -0.629 120.761 121.223 0.277 0.000 3.014 379 L HA 0.177 4.518 4.340 0.001 0.000 0.263 379 L C -0.429 176.704 176.870 0.438 0.000 1.207 379 L CA -0.054 54.983 54.840 0.329 0.000 1.017 379 L CB 0.645 42.874 42.059 0.284 0.000 1.360 379 L HN 0.232 nan 8.230 nan 0.000 0.560 380 W N 1.704 123.066 121.300 0.103 0.000 2.532 380 W HA 0.335 4.995 4.660 0.001 0.000 0.321 380 W C -1.100 175.363 176.519 -0.092 0.000 1.037 380 W CA -0.564 56.722 57.345 -0.099 0.000 1.220 380 W CB 1.542 30.848 29.460 -0.258 0.000 1.361 380 W HN -0.098 nan 8.180 nan 0.000 0.468 381 N N 4.158 122.332 118.700 -0.877 0.000 2.462 381 N HA 0.009 4.750 4.740 0.001 0.000 0.242 381 N C 0.512 175.389 175.510 -1.055 0.000 1.010 381 N CA 0.173 52.789 53.050 -0.723 0.000 0.939 381 N CB 0.973 39.096 38.487 -0.607 0.000 1.127 381 N HN 0.451 nan 8.380 nan 0.000 0.509 382 D N 2.084 122.170 120.400 -0.524 0.000 2.224 382 D HA -0.191 4.449 4.640 0.001 0.000 0.205 382 D C 1.437 177.577 176.300 -0.267 0.000 0.965 382 D CA 0.845 54.712 54.000 -0.221 0.000 0.852 382 D CB 0.032 40.903 40.800 0.119 0.000 0.947 382 D HN 0.550 nan 8.370 nan 0.000 0.494 383 Q N -0.064 119.556 119.800 -0.301 0.000 2.050 383 Q HA -0.197 4.143 4.340 0.001 0.000 0.202 383 Q C 1.741 177.480 176.000 -0.436 0.000 0.980 383 Q CA 1.243 56.878 55.803 -0.281 0.000 0.840 383 Q CB 0.052 28.654 28.738 -0.228 0.000 0.898 383 Q HN 0.298 nan 8.270 nan 0.000 0.424 384 Q N -1.100 118.264 119.800 -0.728 0.000 2.354 384 Q HA 0.079 4.420 4.340 0.001 0.000 0.203 384 Q C 0.837 176.125 176.000 -1.188 0.000 0.933 384 Q CA 0.931 56.033 55.803 -1.169 0.000 0.901 384 Q CB 0.673 28.244 28.738 -1.945 0.000 1.007 384 Q HN 0.612 nan 8.270 nan 0.000 0.495 385 G N 1.518 109.730 108.800 -0.979 0.000 2.248 385 G HA2 -0.182 3.779 3.960 0.001 0.000 0.263 385 G HA3 -0.182 3.779 3.960 0.001 0.000 0.263 385 G C -0.678 173.775 174.900 -0.745 0.000 1.082 385 G CA 0.436 45.142 45.100 -0.658 0.000 0.863 385 G HN 0.263 nan 8.290 nan 0.000 0.495 386 W N -2.338 118.247 121.300 -1.192 0.000 3.137 386 W HA 0.761 5.422 4.660 0.001 0.000 0.324 386 W C -0.525 175.472 176.519 -0.869 0.000 1.253 386 W CA -3.251 53.593 57.345 -0.836 0.000 1.183 386 W CB 0.522 29.821 29.460 -0.268 0.000 1.424 386 W HN 0.101 nan 8.180 nan 0.000 0.566 387 Y N 1.985 122.394 120.300 0.182 0.000 2.457 387 Y HA 0.463 5.014 4.550 0.001 0.000 0.341 387 Y C 0.908 176.928 175.900 0.200 0.000 1.240 387 Y CA 1.280 59.536 58.100 0.260 0.000 1.437 387 Y CB 0.660 39.313 38.460 0.322 0.000 1.328 387 Y HN 0.792 nan 8.280 nan 0.000 0.588 388 A N 1.259 124.267 122.820 0.314 0.000 2.586 388 A HA 0.461 4.781 4.320 0.001 0.000 0.290 388 A C -1.527 176.158 177.584 0.169 0.000 1.086 388 A CA -1.094 51.063 52.037 0.200 0.000 0.665 388 A CB 0.930 20.044 19.000 0.191 0.000 1.279 388 A HN 0.562 nan 8.150 nan 0.000 0.423 389 D N -0.296 120.163 120.400 0.098 0.000 2.358 389 D HA 0.424 5.065 4.640 0.001 0.000 0.244 389 D C -1.101 175.315 176.300 0.193 0.000 1.163 389 D CA 0.773 54.843 54.000 0.116 0.000 0.945 389 D CB 0.733 41.559 40.800 0.043 0.000 1.152 389 D HN 0.430 nan 8.370 nan 0.000 0.451 390 Y N 0.530 120.877 120.300 0.078 0.000 2.352 390 Y HA 0.180 4.730 4.550 0.001 0.000 0.339 390 Y C -0.556 175.377 175.900 0.055 0.000 0.992 390 Y CA -0.816 57.334 58.100 0.084 0.000 1.100 390 Y CB 1.298 39.825 38.460 0.111 0.000 1.192 390 Y HN 0.112 nan 8.280 nan 0.000 0.458 391 D N 6.139 126.187 120.400 -0.588 0.000 2.359 391 D HA 0.158 4.799 4.640 0.001 0.000 0.230 391 D C 0.547 176.493 176.300 -0.591 0.000 1.118 391 D CA 0.061 53.810 54.000 -0.419 0.000 0.844 391 D CB 1.143 41.766 40.800 -0.296 0.000 1.059 391 D HN 0.858 nan 8.370 nan 0.000 0.493 392 L N 3.479 124.515 121.223 -0.311 0.000 2.376 392 L HA -0.038 4.302 4.340 0.001 0.000 0.219 392 L C 2.319 178.900 176.870 -0.483 0.000 1.133 392 L CA 0.618 55.292 54.840 -0.276 0.000 0.816 392 L CB 0.010 42.025 42.059 -0.073 0.000 0.933 392 L HN 0.331 nan 8.230 nan 0.000 0.449 393 K N 0.211 120.386 120.400 -0.373 0.000 2.044 393 K HA -0.098 4.223 4.320 0.001 0.000 0.204 393 K C 2.235 178.581 176.600 -0.424 0.000 1.045 393 K CA 1.380 57.477 56.287 -0.318 0.000 0.951 393 K CB 0.102 32.513 32.500 -0.148 0.000 0.738 393 K HN 0.236 nan 8.250 nan 0.000 0.443 394 S N -0.347 115.152 115.700 -0.336 0.000 2.558 394 S HA -0.032 4.438 4.470 0.001 0.000 0.217 394 S C -0.169 174.342 174.600 -0.149 0.000 0.975 394 S CA -0.059 58.028 58.200 -0.188 0.000 0.912 394 S CB -0.338 62.791 63.200 -0.118 0.000 0.776 394 S HN 0.403 nan 8.310 nan 0.000 0.526 395 H N 0.320 119.289 119.070 -0.168 0.000 2.756 395 H HA -0.099 4.457 4.556 0.001 0.000 0.315 395 H C 0.266 175.538 175.328 -0.093 0.000 1.210 395 H CA 1.210 57.190 56.048 -0.112 0.000 1.150 395 H CB -2.570 27.236 29.762 0.074 0.000 1.463 395 H HN 0.905 nan 8.280 nan 0.000 0.427 396 K N -0.143 120.065 120.400 -0.319 0.000 2.532 396 K HA 0.657 4.978 4.320 0.001 0.000 0.265 396 K C -0.016 176.500 176.600 -0.139 0.000 0.948 396 K CA -0.118 56.132 56.287 -0.062 0.000 0.842 396 K CB 1.540 34.024 32.500 -0.026 0.000 1.392 396 K HN 0.096 nan 8.250 nan 0.000 0.436 397 V N 3.788 123.812 119.914 0.183 0.000 2.599 397 V HA 0.173 4.294 4.120 0.001 0.000 0.300 397 V C 0.937 177.053 176.094 0.037 0.000 1.034 397 V CA -0.449 61.964 62.300 0.188 0.000 1.115 397 V CB 0.359 32.278 31.823 0.160 0.000 0.934 397 V HN 0.817 nan 8.190 nan 0.000 0.485 398 R N 3.702 124.222 120.500 0.034 0.000 2.738 398 R HA 0.126 4.467 4.340 0.001 0.000 0.268 398 R C 0.829 177.154 176.300 0.041 0.000 1.062 398 R CA -0.400 55.708 56.100 0.014 0.000 1.158 398 R CB 0.340 30.648 30.300 0.013 0.000 1.046 398 R HN 0.661 nan 8.270 nan 0.000 0.493 399 N N 0.946 119.674 118.700 0.046 0.000 2.395 399 N HA -0.100 4.641 4.740 0.001 0.000 0.175 399 N C 0.352 176.024 175.510 0.270 0.000 1.029 399 N CA 0.441 53.551 53.050 0.100 0.000 0.897 399 N CB 0.212 38.725 38.487 0.044 0.000 0.991 399 N HN 0.506 nan 8.380 nan 0.000 0.441 400 Q N 1.420 121.300 119.800 0.133 0.000 2.286 400 Q HA -0.015 4.325 4.340 0.001 0.000 0.290 400 Q C -0.665 175.301 176.000 -0.056 0.000 1.049 400 Q CA -0.076 55.753 55.803 0.043 0.000 0.923 400 Q CB 0.429 29.151 28.738 -0.028 0.000 1.183 400 Q HN 0.057 nan 8.270 nan 0.000 0.383 401 L N 5.147 126.135 121.223 -0.393 0.000 2.265 401 L HA 0.432 4.772 4.340 0.001 0.000 0.288 401 L C -0.458 176.198 176.870 -0.356 0.000 1.058 401 L CA 0.444 54.812 54.840 -0.787 0.000 0.809 401 L CB 1.225 42.340 42.059 -1.574 0.000 1.179 401 L HN 0.805 nan 8.230 nan 0.000 0.429 402 T N 1.428 115.871 114.554 -0.184 0.000 2.887 402 T HA 0.673 5.024 4.350 0.001 0.000 0.292 402 T C 0.969 175.746 174.700 0.130 0.000 1.087 402 T CA -0.262 61.857 62.100 0.032 0.000 1.009 402 T CB 1.345 70.291 68.868 0.130 0.000 1.203 402 T HN 0.642 nan 8.240 nan 0.000 0.518 403 A N 0.557 123.560 122.820 0.305 0.000 2.076 403 A HA 0.200 4.520 4.320 0.001 0.000 0.220 403 A C 2.506 180.362 177.584 0.453 0.000 1.160 403 A CA 1.994 54.232 52.037 0.336 0.000 0.653 403 A CB -1.528 17.675 19.000 0.338 0.000 0.801 403 A HN 1.423 nan 8.150 nan 0.000 0.455 404 A N -0.248 122.845 122.820 0.455 0.000 2.076 404 A HA 0.119 4.439 4.320 0.001 0.000 0.220 404 A C 2.280 180.044 177.584 0.300 0.000 1.160 404 A CA 1.799 54.010 52.037 0.289 0.000 0.653 404 A CB -0.733 18.126 19.000 -0.234 0.000 0.801 404 A HN 1.124 nan 8.150 nan 0.000 0.455 405 A N -0.981 121.978 122.820 0.233 0.000 2.168 405 A HA 0.178 4.498 4.320 0.001 0.000 0.215 405 A C 1.689 179.443 177.584 0.282 0.000 1.152 405 A CA 0.858 53.053 52.037 0.263 0.000 0.716 405 A CB -0.242 18.884 19.000 0.210 0.000 0.794 405 A HN 0.373 nan 8.150 nan 0.000 0.465 406 L N -1.831 119.554 121.223 0.271 0.000 2.418 406 L HA 0.059 4.399 4.340 0.001 0.000 0.218 406 L C 1.825 178.796 176.870 0.169 0.000 1.125 406 L CA 1.042 55.990 54.840 0.182 0.000 0.835 406 L CB -1.572 40.550 42.059 0.104 0.000 0.953 406 L HN 0.395 nan 8.230 nan 0.000 0.454 407 F N 1.201 121.205 119.950 0.090 0.000 2.171 407 F HA -0.099 4.429 4.527 0.001 0.000 0.300 407 F C -0.171 175.661 175.800 0.053 0.000 1.090 407 F CA 1.411 59.494 58.000 0.138 0.000 1.293 407 F CB -1.687 37.390 39.000 0.128 0.000 1.013 407 F HN 0.176 nan 8.300 nan 0.000 0.486 408 P HA -0.124 nan 4.420 nan 0.000 0.220 408 P C 1.607 178.832 177.300 -0.125 0.000 1.148 408 P CA 1.148 64.102 63.100 -0.243 0.000 0.803 408 P CB 0.059 31.239 31.700 -0.867 0.000 0.782 409 L N -2.494 118.698 121.223 -0.051 0.000 2.095 409 L HA -0.108 4.233 4.340 0.001 0.000 0.204 409 L C 2.398 179.417 176.870 0.247 0.000 1.080 409 L CA 1.486 56.369 54.840 0.071 0.000 0.759 409 L CB -1.623 40.430 42.059 -0.010 0.000 0.914 409 L HN -0.069 nan 8.230 nan 0.000 0.439 410 Y N 0.542 120.855 120.300 0.021 0.000 2.151 410 Y HA -0.229 4.321 4.550 0.001 0.000 0.284 410 Y C 2.195 178.124 175.900 0.048 0.000 1.166 410 Y CA 1.871 59.960 58.100 -0.018 0.000 1.163 410 Y CB -0.231 38.128 38.460 -0.167 0.000 0.974 410 Y HN 0.082 nan 8.280 nan 0.000 0.511 411 V N -2.650 117.279 119.914 0.026 0.000 3.647 411 V HA 0.211 4.332 4.120 0.001 0.000 0.279 411 V C 0.500 176.680 176.094 0.143 0.000 1.314 411 V CA 0.656 62.961 62.300 0.008 0.000 1.125 411 V CB -0.642 31.288 31.823 0.180 0.000 0.907 411 V HN 0.530 nan 8.190 nan 0.000 0.434 412 N N 0.030 118.816 118.700 0.144 0.000 2.776 412 N HA -0.218 4.522 4.740 0.001 0.000 0.249 412 N C 0.953 176.541 175.510 0.130 0.000 1.111 412 N CA 1.134 54.294 53.050 0.182 0.000 0.711 412 N CB -1.273 37.259 38.487 0.076 0.000 1.065 412 N HN 0.822 nan 8.380 nan 0.000 0.556 413 A N -0.670 122.092 122.820 -0.096 0.000 1.975 413 A HA 0.453 4.773 4.320 0.001 0.000 0.215 413 A C 1.265 178.720 177.584 -0.215 0.000 1.170 413 A CA 1.191 52.931 52.037 -0.496 0.000 0.656 413 A CB 0.101 18.554 19.000 -0.912 0.000 0.821 413 A HN 0.553 nan 8.150 nan 0.000 0.449 414 A N 0.219 122.989 122.820 -0.084 0.000 2.425 414 A HA 0.572 4.893 4.320 0.001 0.000 0.249 414 A C 0.759 178.365 177.584 0.038 0.000 1.084 414 A CA 0.102 52.107 52.037 -0.052 0.000 0.781 414 A CB -0.247 18.652 19.000 -0.168 0.000 1.019 414 A HN 1.302 nan 8.150 nan 0.000 0.490 415 A N 1.925 124.733 122.820 -0.021 0.000 2.498 415 A HA 0.267 4.587 4.320 0.001 0.000 0.239 415 A C 1.197 178.775 177.584 -0.010 0.000 1.068 415 A CA 0.255 52.277 52.037 -0.026 0.000 0.766 415 A CB 0.055 18.974 19.000 -0.135 0.000 1.003 415 A HN 0.912 nan 8.150 nan 0.000 0.497 416 K N 0.902 121.362 120.400 0.100 0.000 2.103 416 K HA -0.195 4.126 4.320 0.001 0.000 0.207 416 K C 1.397 178.007 176.600 0.017 0.000 1.048 416 K CA 1.764 58.141 56.287 0.150 0.000 0.930 416 K CB -0.137 32.467 32.500 0.173 0.000 0.716 416 K HN 0.935 nan 8.250 nan 0.000 0.444 417 D N 1.064 121.442 120.400 -0.035 0.000 2.144 417 D HA -0.195 4.445 4.640 0.001 0.000 0.200 417 D C 1.770 178.012 176.300 -0.097 0.000 0.978 417 D CA 1.080 55.048 54.000 -0.054 0.000 0.833 417 D CB -0.274 40.485 40.800 -0.067 0.000 0.961 417 D HN 0.162 nan 8.370 nan 0.000 0.470 418 R N 0.717 121.080 120.500 -0.229 0.000 2.092 418 R HA 0.033 4.374 4.340 0.001 0.000 0.231 418 R C 2.660 178.944 176.300 -0.028 0.000 1.119 418 R CA 1.322 57.225 56.100 -0.328 0.000 0.970 418 R CB -0.421 29.372 30.300 -0.846 0.000 0.864 418 R HN 0.250 nan 8.270 nan 0.000 0.440 419 A N 1.769 124.509 122.820 -0.133 0.000 1.908 419 A HA -0.217 4.103 4.320 0.001 0.000 0.218 419 A C 1.732 179.295 177.584 -0.035 0.000 1.181 419 A CA 1.685 53.586 52.037 -0.226 0.000 0.627 419 A CB -0.473 18.083 19.000 -0.739 0.000 0.818 419 A HN 0.258 nan 8.150 nan 0.000 0.445 420 N N -0.095 118.610 118.700 0.007 0.000 2.188 420 N HA -0.103 4.638 4.740 0.001 0.000 0.184 420 N C 1.608 177.174 175.510 0.094 0.000 1.018 420 N CA 1.410 54.494 53.050 0.057 0.000 0.858 420 N CB -0.320 38.199 38.487 0.054 0.000 0.989 420 N HN 0.571 nan 8.380 nan 0.000 0.426 421 K N 0.070 120.546 120.400 0.127 0.000 2.097 421 K HA 0.018 4.339 4.320 0.001 0.000 0.206 421 K C 1.822 178.568 176.600 0.243 0.000 1.049 421 K CA 0.785 57.194 56.287 0.203 0.000 0.933 421 K CB -0.029 32.659 32.500 0.313 0.000 0.717 421 K HN 0.084 nan 8.250 nan 0.000 0.442 422 M N 0.362 120.116 119.600 0.256 0.000 2.159 422 M HA -0.099 4.382 4.480 0.001 0.000 0.263 422 M C 2.350 178.751 176.300 0.168 0.000 1.063 422 M CA 1.302 56.755 55.300 0.255 0.000 1.110 422 M CB -1.061 31.704 32.600 0.274 0.000 1.374 422 M HN 0.142 nan 8.290 nan 0.000 0.411 423 A N -0.274 122.621 122.820 0.124 0.000 1.902 423 A HA -0.145 4.176 4.320 0.001 0.000 0.217 423 A C 2.329 179.969 177.584 0.093 0.000 1.181 423 A CA 2.278 54.370 52.037 0.092 0.000 0.623 423 A CB -1.084 17.961 19.000 0.075 0.000 0.818 423 A HN 0.479 nan 8.150 nan 0.000 0.443 424 T N 0.274 114.894 114.554 0.111 0.000 2.737 424 T HA 0.005 4.355 4.350 0.001 0.000 0.265 424 T C 2.228 177.004 174.700 0.126 0.000 1.038 424 T CA 1.557 63.719 62.100 0.104 0.000 1.144 424 T CB -0.451 68.486 68.868 0.114 0.000 0.866 424 T HN 0.590 nan 8.240 nan 0.000 0.434 425 A N 1.219 124.160 122.820 0.203 0.000 1.933 425 A HA -0.104 4.217 4.320 0.001 0.000 0.218 425 A C 2.535 180.213 177.584 0.156 0.000 1.175 425 A CA 1.941 54.145 52.037 0.278 0.000 0.628 425 A CB -1.169 18.058 19.000 0.378 0.000 0.814 425 A HN 0.463 nan 8.150 nan 0.000 0.444 426 T N -0.154 114.464 114.554 0.107 0.000 2.701 426 T HA -0.127 4.224 4.350 0.001 0.000 0.263 426 T C 1.974 176.699 174.700 0.042 0.000 1.040 426 T CA 1.670 63.808 62.100 0.064 0.000 1.147 426 T CB -0.193 68.710 68.868 0.058 0.000 0.865 426 T HN 0.515 nan 8.240 nan 0.000 0.426 427 K N 0.369 120.789 120.400 0.034 0.000 2.044 427 K HA -0.123 4.198 4.320 0.001 0.000 0.210 427 K C 2.521 179.106 176.600 -0.024 0.000 1.049 427 K CA 1.721 58.015 56.287 0.011 0.000 0.927 427 K CB -0.295 32.213 32.500 0.013 0.000 0.713 427 K HN 0.261 nan 8.250 nan 0.000 0.443 428 T N -0.449 114.063 114.554 -0.069 0.000 2.857 428 T HA -0.057 4.293 4.350 0.001 0.000 0.266 428 T C 1.385 175.880 174.700 -0.342 0.000 1.048 428 T CA 0.948 62.905 62.100 -0.238 0.000 1.139 428 T CB -0.032 68.611 68.868 -0.374 0.000 0.874 428 T HN 0.285 nan 8.240 nan 0.000 0.455 429 H N -0.787 118.277 119.070 -0.010 0.000 2.788 429 H HA 0.394 4.951 4.556 0.001 0.000 0.262 429 H C 1.773 177.075 175.328 -0.043 0.000 0.968 429 H CA 0.403 56.423 56.048 -0.046 0.000 1.218 429 H CB 0.585 30.264 29.762 -0.138 0.000 1.443 429 H HN 0.256 nan 8.280 nan 0.000 0.478 430 L N 0.357 121.624 121.223 0.074 0.000 2.609 430 L HA 0.128 4.468 4.340 0.001 0.000 0.230 430 L C 0.325 177.222 176.870 0.044 0.000 1.064 430 L CA -0.132 54.735 54.840 0.046 0.000 0.873 430 L CB 0.516 42.593 42.059 0.029 0.000 1.139 430 L HN -0.022 nan 8.230 nan 0.000 0.490 431 L N 1.691 122.940 121.223 0.044 0.000 2.477 431 L HA 0.145 4.485 4.340 0.001 0.000 0.272 431 L C -0.117 176.811 176.870 0.098 0.000 1.157 431 L CA 0.883 55.761 54.840 0.063 0.000 0.889 431 L CB 0.079 42.163 42.059 0.042 0.000 1.158 431 L HN 0.095 nan 8.230 nan 0.000 0.473 432 Q N 5.468 125.352 119.800 0.140 0.000 2.552 432 Q HA 0.448 4.788 4.340 0.001 0.000 0.289 432 Q C -2.019 174.083 176.000 0.170 0.000 1.097 432 Q CA -1.793 54.083 55.803 0.120 0.000 0.812 432 Q CB 1.245 30.024 28.738 0.068 0.000 1.460 432 Q HN 0.323 nan 8.270 nan 0.000 0.452 433 P HA -0.072 nan 4.420 nan 0.000 0.220 433 P C 0.621 177.823 177.300 -0.164 0.000 1.148 433 P CA 1.366 64.348 63.100 -0.197 0.000 0.803 433 P CB 0.260 31.882 31.700 -0.130 0.000 0.782 434 G N -2.109 106.691 108.800 0.001 0.000 3.502 434 G HA2 0.515 4.475 3.960 0.001 0.000 0.267 434 G HA3 0.515 4.475 3.960 0.001 0.000 0.267 434 G C 0.408 175.398 174.900 0.151 0.000 1.090 434 G CA 0.245 45.364 45.100 0.031 0.000 0.795 434 G HN 0.523 nan 8.290 nan 0.000 0.535 435 G N -0.529 108.406 108.800 0.225 0.000 2.325 435 G HA2 0.222 4.182 3.960 0.001 0.000 0.285 435 G HA3 0.222 4.182 3.960 0.001 0.000 0.285 435 G C -1.415 173.554 174.900 0.115 0.000 1.303 435 G CA -0.701 44.539 45.100 0.234 0.000 0.970 435 G HN 0.699 nan 8.290 nan 0.000 0.490 436 L N 1.098 122.330 121.223 0.016 0.000 2.313 436 L HA 0.577 4.917 4.340 0.001 0.000 0.282 436 L C 0.512 177.372 176.870 -0.018 0.000 1.092 436 L CA -0.754 54.080 54.840 -0.009 0.000 0.831 436 L CB 0.740 42.769 42.059 -0.051 0.000 1.159 436 L HN 0.612 nan 8.230 nan 0.000 0.442 437 N N 2.508 121.214 118.700 0.009 0.000 2.508 437 N HA 0.078 4.818 4.740 0.001 0.000 0.264 437 N C 0.784 176.300 175.510 0.010 0.000 1.216 437 N CA 0.274 53.325 53.050 0.001 0.000 0.943 437 N CB 1.495 39.992 38.487 0.016 0.000 1.113 437 N HN 0.731 nan 8.380 nan 0.000 0.447 438 T N -0.158 114.396 114.554 0.000 0.000 2.812 438 T HA -0.037 4.313 4.350 0.001 0.000 0.264 438 T C 0.804 175.577 174.700 0.121 0.000 1.042 438 T CA 1.534 63.651 62.100 0.029 0.000 1.140 438 T CB -0.080 68.757 68.868 -0.052 0.000 0.870 438 T HN 0.813 nan 8.240 nan 0.000 0.445 439 T N -1.206 113.400 114.554 0.086 0.000 2.754 439 T HA 0.452 4.803 4.350 0.001 0.000 0.296 439 T C 0.418 175.135 174.700 0.028 0.000 1.205 439 T CA -0.182 61.961 62.100 0.072 0.000 1.009 439 T CB 1.599 70.528 68.868 0.102 0.000 1.368 439 T HN -0.036 nan 8.240 nan 0.000 0.509 440 S N -0.590 115.109 115.700 -0.001 0.000 2.582 440 S HA 0.394 4.865 4.470 0.001 0.000 0.234 440 S C 0.010 174.620 174.600 0.017 0.000 0.961 440 S CA -0.467 57.738 58.200 0.009 0.000 0.953 440 S CB -0.360 62.843 63.200 0.005 0.000 0.800 440 S HN 0.658 nan 8.310 nan 0.000 0.471 441 V N 2.629 122.558 119.914 0.025 0.000 2.328 441 V HA 0.363 4.483 4.120 0.001 0.000 0.278 441 V C 0.245 176.365 176.094 0.044 0.000 1.021 441 V CA -0.709 61.611 62.300 0.033 0.000 0.838 441 V CB 1.302 33.147 31.823 0.036 0.000 0.999 441 V HN 0.413 nan 8.190 nan 0.000 0.447 442 K N 3.381 123.803 120.400 0.037 0.000 2.111 442 K HA 0.115 4.435 4.320 0.001 0.000 0.249 442 K C 1.237 177.865 176.600 0.046 0.000 1.157 442 K CA 0.202 56.511 56.287 0.037 0.000 1.048 442 K CB 0.236 32.751 32.500 0.025 0.000 1.498 442 K HN 0.839 nan 8.250 nan 0.000 0.344 443 S N 1.999 117.738 115.700 0.065 0.000 2.478 443 S HA 0.089 4.560 4.470 0.001 0.000 0.222 443 S C 1.396 176.043 174.600 0.078 0.000 1.008 443 S CA 0.415 58.660 58.200 0.076 0.000 0.928 443 S CB 0.044 63.307 63.200 0.106 0.000 0.781 443 S HN 0.812 nan 8.310 nan 0.000 0.518 444 G N 0.351 109.195 108.800 0.074 0.000 2.175 444 G HA2 -0.188 3.773 3.960 0.001 0.000 0.244 444 G HA3 -0.188 3.773 3.960 0.001 0.000 0.244 444 G C -0.047 174.921 174.900 0.113 0.000 0.982 444 G CA 0.120 45.264 45.100 0.073 0.000 0.641 444 G HN 0.525 nan 8.290 nan 0.000 0.527 445 Q N -0.235 119.659 119.800 0.157 0.000 2.193 445 Q HA 0.473 4.813 4.340 0.001 0.000 0.246 445 Q C 1.354 177.488 176.000 0.225 0.000 0.959 445 Q CA -0.515 55.432 55.803 0.240 0.000 0.904 445 Q CB 0.656 29.593 28.738 0.332 0.000 1.238 445 Q HN 0.483 nan 8.270 nan 0.000 0.469 446 Q N 0.023 119.999 119.800 0.294 0.000 2.172 446 Q HA -0.074 4.267 4.340 0.001 0.000 0.200 446 Q C -0.117 175.977 176.000 0.158 0.000 0.964 446 Q CA 1.004 56.953 55.803 0.243 0.000 0.855 446 Q CB 0.226 29.184 28.738 0.368 0.000 0.918 446 Q HN 0.479 nan 8.270 nan 0.000 0.444 447 W N 2.068 123.475 121.300 0.178 0.000 1.714 447 W HA 0.282 4.943 4.660 0.001 0.000 0.363 447 W C -0.521 176.027 176.519 0.047 0.000 0.724 447 W CA -0.254 57.071 57.345 -0.034 0.000 1.804 447 W CB 0.444 29.720 29.460 -0.306 0.000 1.900 447 W HN -0.109 nan 8.180 nan 0.000 0.296 448 D N -0.515 119.972 120.400 0.144 0.000 2.694 448 D HA 0.294 4.934 4.640 0.001 0.000 0.260 448 D C -0.605 175.725 176.300 0.049 0.000 1.250 448 D CA -0.701 53.373 54.000 0.122 0.000 0.763 448 D CB 1.334 42.219 40.800 0.142 0.000 1.311 448 D HN -0.027 nan 8.370 nan 0.000 0.420 449 A N 1.371 124.214 122.820 0.039 0.000 2.561 449 A HA 0.299 4.620 4.320 0.001 0.000 0.234 449 A C -1.706 175.879 177.584 0.001 0.000 1.055 449 A CA -0.120 51.924 52.037 0.011 0.000 0.756 449 A CB -0.047 18.965 19.000 0.019 0.000 0.986 449 A HN 0.333 nan 8.150 nan 0.000 0.505 450 P HA 0.078 nan 4.420 nan 0.000 0.259 450 P C -0.610 176.638 177.300 -0.087 0.000 1.530 450 P CA -0.324 62.753 63.100 -0.039 0.000 1.022 450 P CB -0.053 31.627 31.700 -0.034 0.000 1.514 451 N N 0.968 119.590 118.700 -0.130 0.000 2.497 451 N HA 0.231 4.971 4.740 0.001 0.000 0.268 451 N C 0.628 175.962 175.510 -0.294 0.000 1.171 451 N CA 0.468 53.348 53.050 -0.284 0.000 0.948 451 N CB 1.106 39.386 38.487 -0.345 0.000 1.069 451 N HN 0.101 nan 8.380 nan 0.000 0.460 452 G N 1.617 110.214 108.800 -0.338 0.000 2.422 452 G HA2 0.452 4.413 3.960 0.001 0.000 0.317 452 G HA3 0.452 4.413 3.960 0.001 0.000 0.317 452 G C -1.312 173.315 174.900 -0.456 0.000 1.210 452 G CA -0.587 44.356 45.100 -0.262 0.000 0.930 452 G HN 0.474 nan 8.290 nan 0.000 0.468 453 W N 1.986 122.979 121.300 -0.512 0.000 2.429 453 W HA 0.508 5.168 4.660 0.001 0.000 0.314 453 W C 1.018 177.040 176.519 -0.828 0.000 1.062 453 W CA -0.365 56.562 57.345 -0.695 0.000 1.211 453 W CB 2.178 30.990 29.460 -1.081 0.000 1.305 453 W HN 0.724 nan 8.180 nan 0.000 0.476 454 A N 5.593 128.053 122.820 -0.600 0.000 1.884 454 A HA -0.221 4.099 4.320 0.001 0.000 0.219 454 A C -0.162 176.919 177.584 -0.838 0.000 1.197 454 A CA 2.052 53.659 52.037 -0.716 0.000 0.637 454 A CB -1.898 16.943 19.000 -0.266 0.000 0.827 454 A HN 0.510 nan 8.150 nan 0.000 0.450 455 P HA -0.163 nan 4.420 nan 0.000 0.216 455 P C 1.426 178.327 177.300 -0.666 0.000 1.150 455 P CA 1.212 63.358 63.100 -1.589 0.000 0.843 455 P CB -0.243 30.196 31.700 -2.101 0.000 0.787 456 L N -0.965 120.005 121.223 -0.421 0.000 2.179 456 L HA -0.100 4.241 4.340 0.001 0.000 0.208 456 L C 2.890 179.632 176.870 -0.213 0.000 1.096 456 L CA 0.939 55.693 54.840 -0.143 0.000 0.779 456 L CB -1.092 40.984 42.059 0.029 0.000 0.922 456 L HN -0.072 nan 8.230 nan 0.000 0.443 457 Q N -0.209 119.373 119.800 -0.364 0.000 2.061 457 Q HA -0.268 4.072 4.340 0.001 0.000 0.204 457 Q C 2.008 177.930 176.000 -0.129 0.000 0.984 457 Q CA 1.876 57.478 55.803 -0.334 0.000 0.846 457 Q CB -0.740 27.583 28.738 -0.692 0.000 0.902 457 Q HN 0.658 nan 8.270 nan 0.000 0.421 458 W N 1.113 122.243 121.300 -0.284 0.000 2.379 458 W HA -0.156 4.505 4.660 0.002 0.000 0.307 458 W C 1.917 178.374 176.519 -0.103 0.000 1.200 458 W CA 1.156 58.439 57.345 -0.102 0.000 1.297 458 W CB 0.159 29.649 29.460 0.050 0.000 1.140 458 W HN -0.050 nan 8.180 nan 0.000 0.507 459 V N 1.429 121.166 119.914 -0.295 0.000 2.343 459 V HA -0.303 3.817 4.120 0.001 0.000 0.247 459 V C 2.628 178.466 176.094 -0.426 0.000 1.051 459 V CA 2.218 64.085 62.300 -0.722 0.000 1.036 459 V CB -1.464 29.788 31.823 -0.951 0.000 0.654 459 V HN 0.272 nan 8.190 nan 0.000 0.451 460 A N -0.549 122.119 122.820 -0.254 0.000 1.877 460 A HA -0.238 4.082 4.320 0.001 0.000 0.216 460 A C 2.407 179.910 177.584 -0.134 0.000 1.186 460 A CA 2.585 54.544 52.037 -0.130 0.000 0.620 460 A CB -1.074 17.879 19.000 -0.077 0.000 0.822 460 A HN 0.485 nan 8.150 nan 0.000 0.443 461 T N -0.006 114.425 114.554 -0.205 0.000 2.684 461 T HA -0.129 4.222 4.350 0.001 0.000 0.267 461 T C 1.863 176.403 174.700 -0.267 0.000 1.036 461 T CA 1.606 63.575 62.100 -0.218 0.000 1.148 461 T CB -0.243 68.477 68.868 -0.246 0.000 0.863 461 T HN 0.490 nan 8.240 nan 0.000 0.436 462 E N 0.595 120.534 120.200 -0.436 0.000 2.072 462 E HA -0.016 4.334 4.350 0.001 0.000 0.191 462 E C 2.585 179.173 176.600 -0.020 0.000 0.985 462 E CA 1.059 57.286 56.400 -0.288 0.000 0.801 462 E CB -0.809 28.696 29.700 -0.326 0.000 0.750 462 E HN 0.557 nan 8.360 nan 0.000 0.452 463 G N 1.623 110.464 108.800 0.069 0.000 2.446 463 G HA2 -0.233 3.728 3.960 0.001 0.000 0.217 463 G HA3 -0.233 3.728 3.960 0.001 0.000 0.217 463 G C 1.782 176.790 174.900 0.179 0.000 1.168 463 G CA 0.690 45.888 45.100 0.163 0.000 0.771 463 G HN 0.153 nan 8.290 nan 0.000 0.551 464 L N -0.119 121.154 121.223 0.084 0.000 2.012 464 L HA -0.160 4.181 4.340 0.001 0.000 0.210 464 L C 3.192 180.129 176.870 0.111 0.000 1.073 464 L CA 1.430 56.327 54.840 0.095 0.000 0.748 464 L CB -0.492 41.591 42.059 0.041 0.000 0.891 464 L HN 0.277 nan 8.230 nan 0.000 0.431 465 Q N -0.327 119.501 119.800 0.047 0.000 2.124 465 Q HA -0.189 4.152 4.340 0.001 0.000 0.202 465 Q C 1.962 177.984 176.000 0.037 0.000 0.977 465 Q CA 1.312 57.133 55.803 0.030 0.000 0.850 465 Q CB -0.214 28.512 28.738 -0.019 0.000 0.901 465 Q HN 0.484 nan 8.270 nan 0.000 0.429 466 N N -0.164 118.565 118.700 0.049 0.000 2.272 466 N HA -0.154 4.587 4.740 0.001 0.000 0.185 466 N C 0.322 175.712 175.510 -0.200 0.000 1.014 466 N CA 1.233 54.247 53.050 -0.061 0.000 0.870 466 N CB -0.019 38.444 38.487 -0.039 0.000 0.975 466 N HN 0.369 nan 8.380 nan 0.000 0.433 467 Y N -1.050 119.256 120.300 0.010 0.000 2.681 467 Y HA 0.344 4.894 4.550 0.001 0.000 0.267 467 Y C 1.424 177.336 175.900 0.020 0.000 1.166 467 Y CA -0.223 57.888 58.100 0.018 0.000 1.209 467 Y CB 0.423 38.901 38.460 0.030 0.000 1.161 467 Y HN 0.023 nan 8.280 nan 0.000 0.534 468 G N 0.166 109.027 108.800 0.101 0.000 2.155 468 G HA2 -0.281 3.680 3.960 0.001 0.000 0.257 468 G HA3 -0.281 3.680 3.960 0.001 0.000 0.257 468 G C 0.425 175.375 174.900 0.083 0.000 0.983 468 G CA -0.076 45.068 45.100 0.074 0.000 0.676 468 G HN 0.300 nan 8.290 nan 0.000 0.528 469 Q N 0.130 119.991 119.800 0.102 0.000 3.207 469 Q HA 0.217 4.558 4.340 0.001 0.000 0.335 469 Q C 1.601 177.636 176.000 0.059 0.000 1.374 469 Q CA 0.377 56.229 55.803 0.081 0.000 1.023 469 Q CB 0.817 29.609 28.738 0.089 0.000 1.576 469 Q HN 0.433 nan 8.270 nan 0.000 0.515 470 K N 0.456 120.888 120.400 0.054 0.000 2.057 470 K HA -0.162 4.158 4.320 0.001 0.000 0.207 470 K C 1.854 178.484 176.600 0.051 0.000 1.049 470 K CA 1.730 58.048 56.287 0.052 0.000 0.931 470 K CB 0.119 32.650 32.500 0.052 0.000 0.714 470 K HN 0.486 nan 8.250 nan 0.000 0.440 471 E N -0.356 119.869 120.200 0.043 0.000 2.038 471 E HA -0.127 4.223 4.350 0.001 0.000 0.195 471 E C 2.048 178.661 176.600 0.022 0.000 1.000 471 E CA 1.689 58.108 56.400 0.033 0.000 0.803 471 E CB -0.696 29.018 29.700 0.024 0.000 0.750 471 E HN 0.497 nan 8.360 nan 0.000 0.448 472 V N 1.006 120.932 119.914 0.019 0.000 2.358 472 V HA -0.157 3.964 4.120 0.001 0.000 0.246 472 V C 2.765 178.858 176.094 -0.002 0.000 1.047 472 V CA 1.836 64.138 62.300 0.003 0.000 1.035 472 V CB -1.228 30.605 31.823 0.016 0.000 0.658 472 V HN 0.586 nan 8.190 nan 0.000 0.452 473 A N -0.279 122.550 122.820 0.015 0.000 1.908 473 A HA -0.225 4.096 4.320 0.001 0.000 0.218 473 A C 2.247 179.853 177.584 0.036 0.000 1.181 473 A CA 2.115 54.156 52.037 0.007 0.000 0.627 473 A CB -0.462 18.540 19.000 0.003 0.000 0.818 473 A HN 0.405 nan 8.150 nan 0.000 0.445 474 M N -0.327 119.319 119.600 0.077 0.000 2.175 474 M HA -0.100 4.381 4.480 0.001 0.000 0.264 474 M C 1.457 177.875 176.300 0.197 0.000 1.063 474 M CA 1.344 56.752 55.300 0.181 0.000 1.119 474 M CB -1.444 31.290 32.600 0.223 0.000 1.377 474 M HN 0.333 nan 8.290 nan 0.000 0.415 475 D N 0.699 121.116 120.400 0.028 0.000 2.104 475 D HA -0.096 4.544 4.640 0.001 0.000 0.194 475 D C 2.103 178.229 176.300 -0.290 0.000 0.994 475 D CA 1.134 55.019 54.000 -0.192 0.000 0.830 475 D CB -0.266 40.373 40.800 -0.269 0.000 0.959 475 D HN 0.326 nan 8.370 nan 0.000 0.452 476 I N 0.711 121.205 120.570 -0.126 0.000 2.127 476 I HA -0.301 3.869 4.170 0.001 0.000 0.241 476 I C 2.377 178.532 176.117 0.064 0.000 1.075 476 I CA 1.045 62.316 61.300 -0.048 0.000 1.334 476 I CB -0.194 37.786 38.000 -0.032 0.000 1.040 476 I HN -0.078 nan 8.210 nan 0.000 0.405 477 S N -0.470 115.280 115.700 0.084 0.000 2.368 477 S HA -0.216 4.254 4.470 0.001 0.000 0.225 477 S C 1.590 176.255 174.600 0.107 0.000 1.030 477 S CA 1.449 59.710 58.200 0.102 0.000 0.999 477 S CB -0.425 62.806 63.200 0.052 0.000 0.844 477 S HN 0.437 nan 8.310 nan 0.000 0.459 478 W N 1.307 122.640 121.300 0.056 0.000 2.436 478 W HA 0.012 4.672 4.660 0.001 0.000 0.284 478 W C 2.340 178.948 176.519 0.149 0.000 1.225 478 W CA 0.820 58.215 57.345 0.082 0.000 1.271 478 W CB -0.441 29.072 29.460 0.087 0.000 1.114 478 W HN 0.502 nan 8.180 nan 0.000 0.559 479 H N -2.221 116.985 119.070 0.227 0.000 2.333 479 H HA -0.166 4.391 4.556 0.001 0.000 0.302 479 H C 2.012 177.371 175.328 0.052 0.000 1.075 479 H CA 1.314 57.433 56.048 0.117 0.000 1.348 479 H CB -0.489 29.335 29.762 0.104 0.000 1.393 479 H HN 0.047 nan 8.280 nan 0.000 0.509 480 F N 1.652 121.639 119.950 0.061 0.000 2.075 480 F HA -0.180 4.348 4.527 0.001 0.000 0.297 480 F C 2.229 177.912 175.800 -0.195 0.000 1.113 480 F CA 1.075 59.013 58.000 -0.104 0.000 1.218 480 F CB -0.598 38.334 39.000 -0.114 0.000 0.984 480 F HN -0.013 nan 8.300 nan 0.000 0.472 481 L N -0.572 120.574 121.223 -0.128 0.000 2.042 481 L HA -0.289 4.052 4.340 0.001 0.000 0.210 481 L C 2.346 179.022 176.870 -0.323 0.000 1.076 481 L CA 1.990 56.664 54.840 -0.276 0.000 0.749 481 L CB -1.153 40.781 42.059 -0.209 0.000 0.893 481 L HN 0.172 nan 8.230 nan 0.000 0.432 482 T N -0.743 113.678 114.554 -0.221 0.000 2.720 482 T HA -0.201 4.150 4.350 0.001 0.000 0.268 482 T C 1.742 176.101 174.700 -0.569 0.000 1.037 482 T CA 1.565 63.450 62.100 -0.359 0.000 1.144 482 T CB -0.313 68.425 68.868 -0.216 0.000 0.864 482 T HN 0.272 nan 8.240 nan 0.000 0.444 483 N N 0.953 119.390 118.700 -0.438 0.000 2.043 483 N HA -0.101 4.639 4.740 0.001 0.000 0.193 483 N C 1.874 177.092 175.510 -0.487 0.000 1.037 483 N CA 1.165 53.971 53.050 -0.406 0.000 0.851 483 N CB -0.714 37.537 38.487 -0.393 0.000 1.027 483 N HN 0.202 nan 8.380 nan 0.000 0.422 484 V N 0.888 120.313 119.914 -0.814 0.000 2.332 484 V HA -0.229 3.891 4.120 0.001 0.000 0.248 484 V C 2.517 178.474 176.094 -0.228 0.000 1.055 484 V CA 1.967 63.853 62.300 -0.689 0.000 1.038 484 V CB -0.687 30.646 31.823 -0.816 0.000 0.651 484 V HN 0.383 nan 8.190 nan 0.000 0.450 485 Q N -0.255 119.416 119.800 -0.215 0.000 2.050 485 Q HA -0.203 4.137 4.340 0.001 0.000 0.202 485 Q C 2.085 178.158 176.000 0.122 0.000 0.980 485 Q CA 2.121 57.910 55.803 -0.023 0.000 0.840 485 Q CB -0.416 28.294 28.738 -0.047 0.000 0.898 485 Q HN 0.787 nan 8.270 nan 0.000 0.424 486 H N -1.487 117.570 119.070 -0.021 0.000 2.289 486 H HA -0.120 4.436 4.556 0.001 0.000 0.296 486 H C 1.910 177.233 175.328 -0.008 0.000 1.091 486 H CA 1.389 57.428 56.048 -0.016 0.000 1.274 486 H CB 0.029 29.775 29.762 -0.026 0.000 1.364 486 H HN 0.286 nan 8.280 nan 0.000 0.490 487 T N 0.252 114.897 114.554 0.151 0.000 2.788 487 T HA -0.208 4.143 4.350 0.001 0.000 0.268 487 T C 1.687 176.431 174.700 0.073 0.000 1.044 487 T CA 1.306 63.470 62.100 0.105 0.000 1.139 487 T CB -0.455 68.517 68.868 0.173 0.000 0.867 487 T HN 0.365 nan 8.240 nan 0.000 0.454 488 Y N 2.391 122.681 120.300 -0.017 0.000 2.181 488 Y HA -0.155 4.395 4.550 0.001 0.000 0.288 488 Y C 1.967 177.821 175.900 -0.077 0.000 1.146 488 Y CA 1.332 59.384 58.100 -0.081 0.000 1.164 488 Y CB -0.498 37.890 38.460 -0.119 0.000 0.982 488 Y HN 0.125 nan 8.280 nan 0.000 0.515 489 D N -0.169 120.131 120.400 -0.166 0.000 2.149 489 D HA -0.166 4.474 4.640 0.001 0.000 0.198 489 D C 2.029 178.180 176.300 -0.247 0.000 0.990 489 D CA 1.603 55.465 54.000 -0.231 0.000 0.839 489 D CB -0.134 40.634 40.800 -0.053 0.000 0.948 489 D HN 0.450 nan 8.370 nan 0.000 0.460 490 R N -0.260 120.140 120.500 -0.166 0.000 2.279 490 R HA 0.185 4.525 4.340 0.001 0.000 0.195 490 R C 1.152 177.371 176.300 -0.134 0.000 0.905 490 R CA 0.251 56.271 56.100 -0.134 0.000 1.044 490 R CB 0.596 30.843 30.300 -0.088 0.000 1.056 490 R HN 0.195 nan 8.270 nan 0.000 0.535 491 E N 0.306 120.421 120.200 -0.141 0.000 2.601 491 E HA 0.084 4.434 4.350 0.001 0.000 0.219 491 E C -0.432 176.089 176.600 -0.133 0.000 0.964 491 E CA -0.189 56.147 56.400 -0.106 0.000 1.050 491 E CB 0.826 30.492 29.700 -0.056 0.000 1.068 491 E HN -0.115 nan 8.360 nan 0.000 0.496 492 K N 1.254 121.483 120.400 -0.286 0.000 3.071 492 K HA -0.203 4.118 4.320 0.001 0.000 0.265 492 K C -0.404 176.144 176.600 -0.087 0.000 1.060 492 K CA 1.176 57.224 56.287 -0.398 0.000 0.767 492 K CB -2.295 30.054 32.500 -0.252 0.000 1.241 492 K HN 0.476 nan 8.250 nan 0.000 0.486 493 K N -1.281 119.154 120.400 0.059 0.000 2.533 493 K HA 0.661 4.981 4.320 0.001 0.000 0.272 493 K C -0.934 175.783 176.600 0.196 0.000 0.985 493 K CA -1.218 55.164 56.287 0.158 0.000 0.876 493 K CB 1.511 34.084 32.500 0.121 0.000 1.452 493 K HN -0.089 nan 8.250 nan 0.000 0.439 494 L N 0.983 122.333 121.223 0.212 0.000 2.333 494 L HA 0.648 4.989 4.340 0.001 0.000 0.269 494 L C -0.234 176.751 176.870 0.192 0.000 1.010 494 L CA -0.671 54.309 54.840 0.234 0.000 0.818 494 L CB 1.921 44.109 42.059 0.215 0.000 1.306 494 L HN 0.679 nan 8.230 nan 0.000 0.430 495 V N -1.622 118.348 119.914 0.094 0.000 3.156 495 V HA 0.528 4.649 4.120 0.001 0.000 0.311 495 V C 0.831 176.767 176.094 -0.263 0.000 1.208 495 V CA -0.442 61.774 62.300 -0.140 0.000 1.063 495 V CB 1.604 33.202 31.823 -0.375 0.000 1.098 495 V HN 0.874 nan 8.190 nan 0.000 0.452 496 E N 0.696 120.498 120.200 -0.665 0.000 2.106 496 E HA -0.053 4.297 4.350 0.001 0.000 0.192 496 E C 0.527 176.856 176.600 -0.451 0.000 0.984 496 E CA 1.233 57.113 56.400 -0.867 0.000 0.806 496 E CB 0.017 29.020 29.700 -1.161 0.000 0.750 496 E HN 0.741 nan 8.360 nan 0.000 0.458 497 K N -0.509 119.430 120.400 -0.768 0.000 2.579 497 K HA 0.244 4.565 4.320 0.001 0.000 0.284 497 K C -2.109 174.007 176.600 -0.806 0.000 0.990 497 K CA -0.789 54.935 56.287 -0.938 0.000 0.880 497 K CB 0.685 31.874 32.500 -2.185 0.000 1.488 497 K HN 0.060 nan 8.250 nan 0.000 0.425 498 Y N -0.115 119.916 120.300 -0.448 0.000 2.499 498 Y HA 0.274 4.825 4.550 0.001 0.000 0.347 498 Y C -0.232 175.526 175.900 -0.237 0.000 0.987 498 Y CA -0.852 57.091 58.100 -0.261 0.000 1.044 498 Y CB 2.041 40.404 38.460 -0.161 0.000 1.245 498 Y HN 0.617 nan 8.280 nan 0.000 0.461 499 D N 1.988 122.356 120.400 -0.053 0.000 2.338 499 D HA 0.081 4.722 4.640 0.001 0.000 0.255 499 D C 0.867 177.167 176.300 0.000 0.000 1.237 499 D CA 0.189 54.153 54.000 -0.059 0.000 0.883 499 D CB 1.697 42.458 40.800 -0.065 0.000 1.087 499 D HN 0.527 nan 8.370 nan 0.000 0.485 500 V N 1.833 121.746 119.914 -0.003 0.000 3.129 500 V HA -0.037 4.084 4.120 0.001 0.000 0.259 500 V C 1.678 177.781 176.094 0.015 0.000 1.116 500 V CA 0.886 63.203 62.300 0.029 0.000 1.127 500 V CB -0.107 31.742 31.823 0.044 0.000 0.742 500 V HN 0.340 nan 8.190 nan 0.000 0.474 501 S N 1.800 117.500 115.700 0.001 0.000 2.388 501 S HA -0.084 4.386 4.470 0.001 0.000 0.223 501 S C 2.015 176.611 174.600 -0.007 0.000 1.034 501 S CA 1.693 59.892 58.200 -0.001 0.000 0.963 501 S CB -0.262 62.936 63.200 -0.003 0.000 0.827 501 S HN 0.898 nan 8.310 nan 0.000 0.481 502 T N -0.145 114.404 114.554 -0.009 0.000 3.037 502 T HA 0.226 4.577 4.350 0.001 0.000 0.251 502 T C 0.750 175.451 174.700 0.001 0.000 1.079 502 T CA 0.765 62.860 62.100 -0.008 0.000 1.067 502 T CB -0.545 68.315 68.868 -0.014 0.000 0.948 502 T HN 0.617 nan 8.240 nan 0.000 0.496 503 T N -1.661 112.897 114.554 0.007 0.000 0.541 503 T HA 0.268 4.619 4.350 0.001 0.000 0.774 503 T C 0.730 175.447 174.700 0.029 0.000 0.992 503 T CA -0.050 62.065 62.100 0.026 0.000 4.077 503 T CB -1.688 67.207 68.868 0.044 0.000 2.303 503 T HN 2.443 nan 8.240 nan 0.000 0.398 504 G N 0.427 109.263 108.800 0.059 0.000 2.627 504 G HA2 0.503 4.464 3.960 0.001 0.000 0.214 504 G HA3 0.503 4.464 3.960 0.001 0.000 0.214 504 G C 0.058 174.942 174.900 -0.028 0.000 1.331 504 G CA 0.556 45.670 45.100 0.024 0.000 0.891 504 G HN 3.056 nan 8.290 nan 0.000 0.539 505 T N -2.926 111.564 114.554 -0.106 0.000 2.843 505 T HA 0.998 5.348 4.350 0.001 0.000 0.302 505 T C 0.538 175.131 174.700 -0.177 0.000 1.232 505 T CA 0.652 62.621 62.100 -0.219 0.000 1.009 505 T CB 1.599 70.274 68.868 -0.322 0.000 1.254 505 T HN 3.133 nan 8.240 nan 0.000 0.504 506 G N -0.926 107.747 108.800 -0.212 0.000 2.515 506 G HA2 0.488 4.448 3.960 0.001 0.000 0.686 506 G HA3 0.488 4.448 3.960 0.001 0.000 0.686 506 G C 0.472 175.291 174.900 -0.134 0.000 1.274 506 G CA 0.382 45.384 45.100 -0.163 0.000 0.874 506 G HN 2.595 nan 8.290 nan 0.000 0.631 507 G N -0.014 108.720 108.800 -0.110 0.000 2.583 507 G HA2 0.358 4.319 3.960 0.001 0.000 0.292 507 G HA3 0.358 4.319 3.960 0.001 0.000 0.292 507 G C 2.011 176.848 174.900 -0.105 0.000 1.203 507 G CA 2.528 47.575 45.100 -0.087 0.000 0.987 507 G HN 3.105 nan 8.290 nan 0.000 0.554 508 G N -0.769 107.982 108.800 -0.082 0.000 2.186 508 G HA2 0.383 4.343 3.960 0.001 0.000 0.266 508 G HA3 0.383 4.343 3.960 0.001 0.000 0.266 508 G C 1.661 176.541 174.900 -0.034 0.000 0.982 508 G CA 0.889 45.942 45.100 -0.079 0.000 0.670 508 G HN 3.251 nan 8.290 nan 0.000 0.533 509 G N -1.696 107.087 108.800 -0.029 0.000 2.627 509 G HA2 0.528 4.489 3.960 0.001 0.000 0.214 509 G HA3 0.528 4.489 3.960 0.001 0.000 0.214 509 G C 1.084 175.971 174.900 -0.021 0.000 1.331 509 G CA 1.093 46.200 45.100 0.012 0.000 0.891 509 G HN 2.713 nan 8.290 nan 0.000 0.539 510 G N -1.424 107.403 108.800 0.046 0.000 2.721 510 G HA2 0.248 4.209 3.960 0.001 0.000 0.686 510 G HA3 0.248 4.209 3.960 0.001 0.000 0.686 510 G C -0.012 174.849 174.900 -0.065 0.000 1.236 510 G CA 0.667 45.768 45.100 0.002 0.000 0.786 510 G HN 1.294 nan 8.290 nan 0.000 0.616 511 E N 0.365 120.606 120.200 0.068 0.000 2.411 511 E HA 0.280 4.630 4.350 0.001 0.000 0.204 511 E C 0.049 176.754 176.600 0.175 0.000 1.059 511 E CA 0.061 56.529 56.400 0.114 0.000 1.112 511 E CB 0.126 29.938 29.700 0.186 0.000 1.168 511 E HN 0.579 nan 8.360 nan 0.000 0.445 512 Y N -2.190 118.193 120.300 0.138 0.000 2.609 512 Y HA 0.671 5.222 4.550 0.001 0.000 0.342 512 Y C -2.903 173.046 175.900 0.082 0.000 1.058 512 Y CA -3.391 54.771 58.100 0.102 0.000 1.055 512 Y CB -0.091 38.432 38.460 0.105 0.000 1.292 512 Y HN -0.203 nan 8.280 nan 0.000 0.476 513 P HA 0.198 nan 4.420 nan 0.000 0.276 513 P C -0.880 176.478 177.300 0.097 0.000 1.252 513 P CA -0.632 62.503 63.100 0.058 0.000 0.802 513 P CB 0.776 32.522 31.700 0.077 0.000 1.035 514 L N 1.758 122.975 121.223 -0.011 0.000 2.601 514 L HA -0.010 4.330 4.340 0.001 0.000 0.277 514 L C 0.033 176.941 176.870 0.063 0.000 1.219 514 L CA 1.050 55.878 54.840 -0.020 0.000 0.915 514 L CB -0.392 41.598 42.059 -0.115 0.000 1.160 514 L HN 0.233 nan 8.230 nan 0.000 0.494 515 Q N 3.492 123.358 119.800 0.110 0.000 2.257 515 Q HA 0.438 4.779 4.340 0.001 0.000 0.262 515 Q C -1.087 174.983 176.000 0.117 0.000 0.997 515 Q CA -0.730 55.176 55.803 0.172 0.000 0.873 515 Q CB 1.847 30.816 28.738 0.385 0.000 1.312 515 Q HN 0.600 nan 8.270 nan 0.000 0.450 516 D N -0.904 119.645 120.400 0.248 0.000 2.269 516 D HA 0.722 5.362 4.640 0.001 0.000 0.244 516 D C 0.454 176.999 176.300 0.408 0.000 0.992 516 D CA -0.140 54.014 54.000 0.258 0.000 0.894 516 D CB 1.976 42.877 40.800 0.168 0.000 1.248 516 D HN 0.683 nan 8.370 nan 0.000 0.468 517 G N -0.098 108.908 108.800 0.344 0.000 3.815 517 G HA2 -0.008 3.953 3.960 0.001 0.000 0.112 517 G HA3 -0.008 3.953 3.960 0.001 0.000 0.112 517 G C -1.220 173.766 174.900 0.142 0.000 2.124 517 G CA -0.454 44.744 45.100 0.163 0.000 0.991 517 G HN 0.357 nan 8.290 nan 0.000 0.287 518 F N 2.292 122.259 119.950 0.028 0.000 2.536 518 F HA 0.582 5.110 4.527 0.001 0.000 0.322 518 F C 1.283 177.118 175.800 0.059 0.000 1.144 518 F CA 0.329 58.359 58.000 0.049 0.000 0.924 518 F CB 1.773 40.837 39.000 0.106 0.000 1.181 518 F HN 0.637 nan 8.300 nan 0.000 0.438 519 G N 5.307 113.853 108.800 -0.423 0.000 2.859 519 G HA2 -0.412 3.549 3.960 0.001 0.000 0.236 519 G HA3 -0.412 3.549 3.960 0.001 0.000 0.236 519 G C 1.100 176.109 174.900 0.182 0.000 1.207 519 G CA 1.820 46.840 45.100 -0.133 0.000 0.769 519 G HN 0.920 nan 8.290 nan 0.000 0.674 520 W N 0.831 122.190 121.300 0.098 0.000 2.425 520 W HA 0.184 4.845 4.660 0.001 0.000 0.277 520 W C 2.131 178.722 176.519 0.121 0.000 1.231 520 W CA 1.473 58.883 57.345 0.109 0.000 1.248 520 W CB -1.525 27.924 29.460 -0.019 0.000 1.117 520 W HN 0.163 nan 8.180 nan 0.000 0.568 521 T N 2.022 117.017 114.554 0.736 0.000 2.737 521 T HA -0.233 4.117 4.350 0.001 0.000 0.265 521 T C 1.557 176.405 174.700 0.246 0.000 1.038 521 T CA 2.065 64.444 62.100 0.465 0.000 1.144 521 T CB -0.477 68.713 68.868 0.536 0.000 0.866 521 T HN 0.100 nan 8.240 nan 0.000 0.434 522 N N 1.212 120.024 118.700 0.187 0.000 2.069 522 N HA -0.045 4.695 4.740 0.001 0.000 0.191 522 N C 2.127 177.687 175.510 0.084 0.000 1.031 522 N CA 1.429 54.491 53.050 0.019 0.000 0.852 522 N CB -0.992 37.362 38.487 -0.221 0.000 1.018 522 N HN 0.481 nan 8.380 nan 0.000 0.423 523 G N 0.455 109.383 108.800 0.212 0.000 2.421 523 G HA2 -0.167 3.793 3.960 0.001 0.000 0.216 523 G HA3 -0.167 3.793 3.960 0.001 0.000 0.216 523 G C 1.640 176.513 174.900 -0.044 0.000 1.171 523 G CA 0.754 45.953 45.100 0.165 0.000 0.775 523 G HN 0.210 nan 8.290 nan 0.000 0.543 524 V N 0.958 120.852 119.914 -0.033 0.000 2.427 524 V HA -0.160 3.960 4.120 0.001 0.000 0.248 524 V C 3.150 179.179 176.094 -0.108 0.000 1.051 524 V CA 2.260 64.457 62.300 -0.172 0.000 1.048 524 V CB -0.778 31.009 31.823 -0.061 0.000 0.666 524 V HN 0.377 nan 8.190 nan 0.000 0.456 525 T N 0.437 114.985 114.554 -0.011 0.000 2.684 525 T HA -0.180 4.171 4.350 0.001 0.000 0.267 525 T C 1.895 176.541 174.700 -0.091 0.000 1.036 525 T CA 1.439 63.513 62.100 -0.044 0.000 1.148 525 T CB -0.331 68.493 68.868 -0.074 0.000 0.863 525 T HN 0.150 nan 8.240 nan 0.000 0.436 526 L N 1.262 122.435 121.223 -0.084 0.000 1.990 526 L HA -0.093 4.248 4.340 0.001 0.000 0.213 526 L C 2.420 179.215 176.870 -0.124 0.000 1.072 526 L CA 1.760 56.552 54.840 -0.080 0.000 0.755 526 L CB -0.810 41.236 42.059 -0.022 0.000 0.889 526 L HN 0.108 nan 8.230 nan 0.000 0.432 527 K N -0.984 119.272 120.400 -0.240 0.000 2.057 527 K HA -0.120 4.200 4.320 0.001 0.000 0.207 527 K C 2.104 178.635 176.600 -0.115 0.000 1.049 527 K CA 1.534 57.625 56.287 -0.327 0.000 0.931 527 K CB -0.483 31.426 32.500 -0.986 0.000 0.714 527 K HN 0.360 nan 8.250 nan 0.000 0.440 528 M N 0.072 119.628 119.600 -0.073 0.000 2.200 528 M HA -0.115 4.365 4.480 0.001 0.000 0.265 528 M C 2.125 178.385 176.300 -0.067 0.000 1.066 528 M CA 0.763 56.101 55.300 0.063 0.000 1.127 528 M CB -0.264 32.391 32.600 0.092 0.000 1.379 528 M HN -0.019 nan 8.290 nan 0.000 0.420 529 L N 1.116 122.274 121.223 -0.108 0.000 2.013 529 L HA -0.255 4.086 4.340 0.001 0.000 0.212 529 L C 1.720 178.530 176.870 -0.101 0.000 1.073 529 L CA 2.090 56.843 54.840 -0.144 0.000 0.753 529 L CB -0.808 41.178 42.059 -0.121 0.000 0.890 529 L HN 0.229 nan 8.230 nan 0.000 0.432 530 D N -0.836 119.534 120.400 -0.049 0.000 2.149 530 D HA -0.212 4.429 4.640 0.001 0.000 0.198 530 D C 2.356 178.664 176.300 0.014 0.000 0.990 530 D CA 1.110 55.105 54.000 -0.009 0.000 0.839 530 D CB -0.175 40.633 40.800 0.013 0.000 0.948 530 D HN 0.346 nan 8.370 nan 0.000 0.460 531 L N 0.701 121.941 121.223 0.029 0.000 2.056 531 L HA -0.063 4.278 4.340 0.001 0.000 0.207 531 L C 2.135 179.013 176.870 0.013 0.000 1.078 531 L CA 0.959 55.837 54.840 0.065 0.000 0.749 531 L CB -0.118 42.019 42.059 0.131 0.000 0.901 531 L HN 0.069 nan 8.230 nan 0.000 0.433 532 I N -4.002 116.503 120.570 -0.107 0.000 3.684 532 I HA 0.064 4.235 4.170 0.001 0.000 0.304 532 I C 0.454 176.545 176.117 -0.043 0.000 1.278 532 I CA -0.277 60.911 61.300 -0.187 0.000 1.272 532 I CB -0.314 37.164 38.000 -0.871 0.000 1.029 532 I HN 0.033 nan 8.210 nan 0.000 0.458 533 c N 1.135 119.722 118.600 -0.023 0.000 2.614 533 c HA 0.595 5.166 4.570 0.001 0.000 0.320 533 c C -2.332 171.791 174.090 0.056 0.000 1.200 533 c CA -1.179 55.175 56.329 0.042 0.000 1.700 533 c CB 1.473 43.987 42.510 0.008 0.000 2.275 533 c HN 0.160 nan 8.230 nan 0.000 0.492 534 P HA 0.090 nan 4.420 nan 0.000 0.266 534 P C 0.805 178.135 177.300 0.050 0.000 1.195 534 P CA 0.132 63.270 63.100 0.063 0.000 0.768 534 P CB 0.502 32.239 31.700 0.062 0.000 0.838 535 K N 2.173 122.603 120.400 0.050 0.000 2.152 535 K HA -0.185 4.136 4.320 0.001 0.000 0.206 535 K C 1.970 178.594 176.600 0.040 0.000 1.048 535 K CA 2.200 58.514 56.287 0.046 0.000 0.933 535 K CB -1.091 31.438 32.500 0.049 0.000 0.721 535 K HN 0.695 nan 8.250 nan 0.000 0.447 536 E N -1.310 118.914 120.200 0.040 0.000 2.452 536 E HA 0.182 4.532 4.350 0.001 0.000 0.197 536 E C 1.336 177.956 176.600 0.034 0.000 1.022 536 E CA 0.744 57.165 56.400 0.035 0.000 0.890 536 E CB 0.013 29.733 29.700 0.034 0.000 0.918 536 E HN 0.712 nan 8.360 nan 0.000 0.496 537 Q N 1.476 121.298 119.800 0.037 0.000 2.851 537 Q HA 0.457 4.798 4.340 0.001 0.000 0.331 537 Q C -2.622 173.399 176.000 0.035 0.000 0.979 537 Q CA -1.637 54.188 55.803 0.037 0.000 0.955 537 Q CB 0.130 28.893 28.738 0.042 0.000 1.298 537 Q HN 0.382 nan 8.270 nan 0.000 0.432 538 P HA 0.369 nan 4.420 nan 0.000 0.272 538 P C -0.394 176.913 177.300 0.013 0.000 1.223 538 P CA -0.162 62.949 63.100 0.018 0.000 0.784 538 P CB 1.057 32.766 31.700 0.015 0.000 0.923 539 c N 1.392 119.990 118.600 -0.003 0.000 2.391 539 c HA 0.311 4.882 4.570 0.001 0.000 0.339 539 c C 1.478 175.556 174.090 -0.020 0.000 1.205 539 c CA -0.246 56.079 56.329 -0.007 0.000 1.937 539 c CB 0.648 43.148 42.510 -0.018 0.000 2.341 539 c HN 0.570 nan 8.230 nan 0.000 0.516 540 D N 0.475 120.869 120.400 -0.010 0.000 2.392 540 D HA 0.092 4.732 4.640 0.001 0.000 0.206 540 D C 0.178 176.459 176.300 -0.031 0.000 1.046 540 D CA 0.852 54.841 54.000 -0.018 0.000 0.865 540 D CB 0.218 41.019 40.800 0.001 0.000 0.969 540 D HN 0.542 nan 8.370 nan 0.000 0.509 541 N N -0.100 118.590 118.700 -0.016 0.000 2.262 541 N HA 0.233 4.974 4.740 0.001 0.000 0.295 541 N C -0.706 174.787 175.510 -0.028 0.000 1.161 541 N CA -0.551 52.491 53.050 -0.013 0.000 0.767 541 N CB 3.034 41.545 38.487 0.039 0.000 1.499 541 N HN -0.289 nan 8.380 nan 0.000 0.476 542 V N 2.721 122.607 119.914 -0.048 0.000 2.485 542 V HA 0.129 4.249 4.120 0.001 0.000 0.287 542 V C -1.836 174.292 176.094 0.056 0.000 1.022 542 V CA -0.864 61.394 62.300 -0.071 0.000 1.067 542 V CB 0.058 31.817 31.823 -0.105 0.000 0.967 542 V HN 0.519 nan 8.190 nan 0.000 0.479 543 P HA 0.148 nan 4.420 nan 0.000 0.268 543 P C 0.468 177.935 177.300 0.278 0.000 1.205 543 P CA -0.036 63.198 63.100 0.224 0.000 0.771 543 P CB 0.847 32.745 31.700 0.330 0.000 0.858 544 A N 2.447 125.378 122.820 0.185 0.000 2.067 544 A HA 0.025 4.345 4.320 0.001 0.000 0.217 544 A C 0.784 178.443 177.584 0.125 0.000 1.156 544 A CA 1.276 53.413 52.037 0.166 0.000 0.683 544 A CB -0.579 18.497 19.000 0.126 0.000 0.808 544 A HN 0.538 nan 8.150 nan 0.000 0.455 545 T N 0.969 115.586 114.554 0.104 0.000 2.779 545 T HA 0.394 4.745 4.350 0.001 0.000 0.280 545 T C 0.274 174.951 174.700 -0.037 0.000 0.987 545 T CA -0.636 61.478 62.100 0.024 0.000 0.966 545 T CB 1.483 70.360 68.868 0.015 0.000 0.933 545 T HN 0.300 nan 8.240 nan 0.000 0.442 546 R N 0.000 120.342 120.500 -0.264 0.000 2.786 546 R HA 0.000 4.341 4.340 0.001 0.000 0.208 546 R CA 0.000 55.763 56.100 -0.562 0.000 0.921 546 R CB 0.000 29.801 30.300 -0.832 0.000 0.687 546 R HN 0.000 nan 8.270 nan 0.000 0.535