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 2wxj_1_A DATA FIRST_RESID 109 DATA SEQUENCE VKKLINSQIS LLIGKGLHEF DSLRDPEVND FRTKMRQFCE EAAAHRQQLG DATA SEQUENCE WVEWLQYSFP LQLEPXXXXX XXXXXXXXNR ALLVNVKFEG SEESFTFQVS DATA SEQUENCE TKDMPLALMA CALRKKATVF RQXXXXQPEE YALQVNGRHE YLYGNYPLCH DATA SEQUENCE FQYICSCLHS GLTPHLTMVH SSSILAMRDE QSNXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXLWS LEQPFSIELI EGRKVNAXXX MKLVVQAGLF HGNEMLCKTV DATA SEQUENCE SSSEVNVCSE PVWKQRLEFD ISVCDLPRMA RLCFALYAVV XXXXXXXXXX DATA SEQUENCE XXXXXXDCPI AWANLMLFDY KDQLKTGERC LYMWPSVXXX XXXLLNPAGT DATA SEQUENCE VRGNPNTESA AALVIYLPEV AXXPVYFPAL EKILELXXXX XXXXXXXXXX DATA SEQUENCE XXLREILERX XXXELYEHEK DLVWKMRHEV QEHFPEALAR LLLVTKWNKH DATA SEQUENCE EDVAQMLYLL CSWPELPVLS ALELLDFSFP DCYVGSFAIK SLRKLTDDEL DATA SEQUENCE FQYLLQLVQV LKYESYLDCE LTKFLLGRAL ANRKIGHFLF WHLRSEMHVP DATA SEQUENCE SVALRFGLIM EAYCRGSTHH MKVLMKQGEA LSKLKALNDF VKVSSQKTTK DATA SEQUENCE PQTKEMMHMC MRQETYMEAL SHLQSPLDPS TLLEEVCVEQ CTFMDSKMKP DATA SEQUENCE LWIMYSSEEA GSAGNVGIIF KNGDDLRQDM LTLQMIQLMD VLWKQEGLDL DATA SEQUENCE RMTPYGCLPT GDRTGLIEVV LHSDTIANIQ LNKSNMAATA AFNKDALLNW DATA SEQUENCE LKSKNPGEAL DRAIEEFTLS CAGYCVATYV LGIGDRHSDN IMIRESGQLF DATA SEQUENCE HIDFGHFLGN FXXXXXXXXX RVPFILTYDF VHVIQQGKTN NSEKFERFRG DATA SEQUENCE YCERAYTILR RHGLLFLHLF ALMRAAGLPE LSCSKDIQYL KDSLALGKTE DATA SEQUENCE EEALKHFRVK FNEALRESW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 109 V HA 0.000 nan 4.120 nan 0.000 0.244 109 V C 0.000 176.099 176.094 0.008 0.000 1.182 109 V CA 0.000 62.303 62.300 0.006 0.000 1.235 109 V CB 0.000 31.825 31.823 0.004 0.000 1.184 110 K N 1.313 121.719 120.400 0.011 0.000 2.525 110 K HA 0.016 4.336 4.320 0.001 0.000 0.192 110 K C 1.421 178.033 176.600 0.020 0.000 1.029 110 K CA 1.949 58.245 56.287 0.015 0.000 1.029 110 K CB 0.080 32.590 32.500 0.017 0.000 0.814 110 K HN 0.474 nan 8.250 nan 0.000 0.503 111 K N -0.432 119.978 120.400 0.017 0.000 2.370 111 K HA 0.090 4.410 4.320 0.001 0.000 0.194 111 K C 1.568 178.178 176.600 0.017 0.000 1.070 111 K CA 0.255 56.554 56.287 0.019 0.000 0.998 111 K CB -0.010 32.499 32.500 0.014 0.000 0.911 111 K HN 0.171 nan 8.250 nan 0.000 0.533 112 L N 0.985 122.215 121.223 0.012 0.000 2.044 112 L HA 0.149 4.490 4.340 0.001 0.000 0.205 112 L C 1.746 178.622 176.870 0.010 0.000 1.075 112 L CA 1.549 56.395 54.840 0.009 0.000 0.747 112 L CB -0.303 41.759 42.059 0.005 0.000 0.903 112 L HN 0.212 nan 8.230 nan 0.000 0.435 113 I N 0.379 120.956 120.570 0.011 0.000 2.264 113 I HA -0.290 3.881 4.170 0.001 0.000 0.248 113 I C 1.924 178.055 176.117 0.023 0.000 1.111 113 I CA 1.226 62.533 61.300 0.012 0.000 1.382 113 I CB -0.614 37.393 38.000 0.011 0.000 1.060 113 I HN 0.427 nan 8.210 nan 0.000 0.418 114 N N 0.548 119.267 118.700 0.032 0.000 2.309 114 N HA -0.114 4.626 4.740 0.001 0.000 0.182 114 N C 2.004 177.540 175.510 0.043 0.000 1.018 114 N CA 1.664 54.742 53.050 0.047 0.000 0.876 114 N CB -0.070 38.448 38.487 0.052 0.000 0.972 114 N HN 0.421 nan 8.380 nan 0.000 0.434 115 S N -0.188 115.530 115.700 0.031 0.000 2.458 115 S HA 0.040 4.511 4.470 0.001 0.000 0.223 115 S C 1.799 176.412 174.600 0.022 0.000 1.019 115 S CA 0.227 58.444 58.200 0.027 0.000 0.937 115 S CB -0.063 63.149 63.200 0.019 0.000 0.788 115 S HN 0.214 nan 8.310 nan 0.000 0.511 116 Q N 0.929 120.739 119.800 0.016 0.000 2.079 116 Q HA 0.096 4.436 4.340 0.001 0.000 0.200 116 Q C 2.148 178.156 176.000 0.013 0.000 0.974 116 Q CA 1.571 57.377 55.803 0.006 0.000 0.840 116 Q CB -0.424 28.309 28.738 -0.007 0.000 0.898 116 Q HN 0.590 nan 8.270 nan 0.000 0.430 117 I N 0.280 120.867 120.570 0.028 0.000 2.163 117 I HA -0.294 3.876 4.170 0.001 0.000 0.243 117 I C 2.271 178.426 176.117 0.063 0.000 1.085 117 I CA 0.950 62.282 61.300 0.053 0.000 1.347 117 I CB -0.348 37.699 38.000 0.078 0.000 1.044 117 I HN 0.105 nan 8.210 nan 0.000 0.408 118 S N 0.868 116.596 115.700 0.047 0.000 2.374 118 S HA -0.210 4.260 4.470 0.001 0.000 0.227 118 S C 1.942 176.560 174.600 0.030 0.000 1.037 118 S CA 1.506 59.722 58.200 0.026 0.000 1.024 118 S CB -0.409 62.804 63.200 0.023 0.000 0.861 118 S HN 0.284 nan 8.310 nan 0.000 0.456 119 L N 0.814 122.057 121.223 0.033 0.000 2.072 119 L HA 0.074 4.415 4.340 0.001 0.000 0.205 119 L C 2.064 178.965 176.870 0.052 0.000 1.079 119 L CA 1.080 55.941 54.840 0.036 0.000 0.752 119 L CB -0.447 41.628 42.059 0.025 0.000 0.906 119 L HN 0.253 nan 8.230 nan 0.000 0.436 120 L N 0.034 121.288 121.223 0.052 0.000 2.017 120 L HA -0.159 4.181 4.340 0.001 0.000 0.208 120 L C 2.201 179.163 176.870 0.153 0.000 1.073 120 L CA 2.156 57.041 54.840 0.075 0.000 0.745 120 L CB -0.553 41.515 42.059 0.015 0.000 0.894 120 L HN 0.444 nan 8.230 nan 0.000 0.432 121 I N -3.669 116.981 120.570 0.133 0.000 3.428 121 I HA 0.292 4.463 4.170 0.001 0.000 0.286 121 I C 1.437 177.596 176.117 0.070 0.000 1.287 121 I CA 0.621 61.988 61.300 0.112 0.000 1.396 121 I CB -0.869 37.213 38.000 0.137 0.000 1.062 121 I HN 0.369 nan 8.210 nan 0.000 0.471 122 G N 2.046 110.885 108.800 0.066 0.000 2.198 122 G HA2 -0.311 3.649 3.960 0.001 0.000 0.260 122 G HA3 -0.311 3.649 3.960 0.001 0.000 0.260 122 G C 0.045 174.956 174.900 0.018 0.000 1.025 122 G CA 0.542 45.673 45.100 0.052 0.000 0.769 122 G HN 0.624 nan 8.290 nan 0.000 0.507 123 K N -0.238 120.150 120.400 -0.020 0.000 2.565 123 K HA 0.515 4.836 4.320 0.001 0.000 0.251 123 K C 0.451 176.921 176.600 -0.217 0.000 0.956 123 K CA -0.216 56.000 56.287 -0.118 0.000 0.809 123 K CB 1.236 33.664 32.500 -0.119 0.000 1.267 123 K HN 0.484 nan 8.250 nan 0.000 0.438 124 G N 3.731 112.363 108.800 -0.280 0.000 2.378 124 G HA2 0.148 4.109 3.960 0.001 0.000 0.255 124 G HA3 0.148 4.109 3.960 0.001 0.000 0.255 124 G C 1.047 175.590 174.900 -0.595 0.000 1.270 124 G CA -0.384 44.536 45.100 -0.300 0.000 0.876 124 G HN 0.666 nan 8.290 nan 0.000 0.521 125 L N 1.667 122.684 121.223 -0.344 0.000 2.187 125 L HA -0.159 4.182 4.340 0.001 0.000 0.213 125 L C 2.656 179.364 176.870 -0.270 0.000 1.100 125 L CA 1.686 56.321 54.840 -0.342 0.000 0.765 125 L CB -0.574 41.502 42.059 0.028 0.000 0.904 125 L HN 0.935 nan 8.230 nan 0.000 0.437 126 H N -0.899 118.083 119.070 -0.147 0.000 2.457 126 H HA -0.147 4.409 4.556 0.000 0.000 0.297 126 H C 1.764 177.033 175.328 -0.099 0.000 1.092 126 H CA 1.254 57.255 56.048 -0.078 0.000 1.309 126 H CB -0.433 29.295 29.762 -0.057 0.000 1.382 126 H HN 0.392 nan 8.280 nan 0.000 0.535 127 E N -0.025 119.746 120.200 -0.715 0.000 2.268 127 E HA -0.082 4.268 4.350 0.001 0.000 0.195 127 E C 0.984 177.468 176.600 -0.193 0.000 0.995 127 E CA 0.667 56.779 56.400 -0.479 0.000 0.836 127 E CB -0.056 29.284 29.700 -0.600 0.000 0.763 127 E HN 0.478 nan 8.360 nan 0.000 0.491 128 F N 1.589 121.488 119.950 -0.085 0.000 2.163 128 F HA -0.099 4.429 4.527 0.001 0.000 0.297 128 F C 1.994 177.792 175.800 -0.003 0.000 1.094 128 F CA 0.644 58.625 58.000 -0.033 0.000 1.290 128 F CB -0.647 38.348 39.000 -0.008 0.000 1.017 128 F HN -0.056 nan 8.300 nan 0.000 0.483 129 D N -0.143 120.369 120.400 0.187 0.000 2.117 129 D HA -0.138 4.502 4.640 0.001 0.000 0.197 129 D C 2.208 178.564 176.300 0.093 0.000 0.987 129 D CA 1.647 55.725 54.000 0.129 0.000 0.829 129 D CB -0.362 40.507 40.800 0.114 0.000 0.961 129 D HN 0.178 nan 8.370 nan 0.000 0.460 130 S N 0.559 116.304 115.700 0.074 0.000 2.469 130 S HA -0.049 4.422 4.470 0.001 0.000 0.238 130 S C 2.062 176.689 174.600 0.044 0.000 0.998 130 S CA 0.264 58.497 58.200 0.055 0.000 0.957 130 S CB -0.092 63.136 63.200 0.047 0.000 0.764 130 S HN 0.266 nan 8.310 nan 0.000 0.514 131 L N 1.013 122.270 121.223 0.056 0.000 2.478 131 L HA 0.110 4.450 4.340 0.001 0.000 0.223 131 L C 0.472 177.371 176.870 0.048 0.000 1.140 131 L CA 0.022 54.889 54.840 0.046 0.000 0.842 131 L CB -0.375 41.717 42.059 0.055 0.000 0.953 131 L HN 0.125 nan 8.230 nan 0.000 0.452 132 R N 0.799 121.333 120.500 0.057 0.000 3.266 132 R HA -0.223 4.117 4.340 0.001 0.000 0.245 132 R C -0.296 176.038 176.300 0.056 0.000 0.941 132 R CA 0.609 56.743 56.100 0.057 0.000 0.638 132 R CB -2.458 27.873 30.300 0.051 0.000 1.019 132 R HN 0.344 nan 8.270 nan 0.000 0.462 133 D N 0.344 120.774 120.400 0.051 0.000 2.414 133 D HA 0.263 4.903 4.640 0.001 0.000 0.232 133 D C -1.275 175.043 176.300 0.030 0.000 1.070 133 D CA -2.495 51.528 54.000 0.038 0.000 0.839 133 D CB 1.474 42.283 40.800 0.016 0.000 1.079 133 D HN -0.054 nan 8.370 nan 0.000 0.521 134 P HA -0.128 nan 4.420 nan 0.000 0.218 134 P C 1.107 178.416 177.300 0.015 0.000 1.149 134 P CA 0.773 63.928 63.100 0.093 0.000 0.817 134 P CB 0.565 32.376 31.700 0.184 0.000 0.785 135 E N 0.141 120.206 120.200 -0.225 0.000 2.072 135 E HA -0.111 4.240 4.350 0.001 0.000 0.191 135 E C 1.932 178.388 176.600 -0.240 0.000 0.985 135 E CA 0.981 56.985 56.400 -0.660 0.000 0.801 135 E CB -0.299 28.799 29.700 -1.004 0.000 0.750 135 E HN -0.077 nan 8.360 nan 0.000 0.452 136 V N 2.314 122.143 119.914 -0.142 0.000 2.287 136 V HA -0.300 3.820 4.120 0.001 0.000 0.248 136 V C 2.061 178.162 176.094 0.011 0.000 1.053 136 V CA 2.039 64.287 62.300 -0.086 0.000 1.027 136 V CB -0.704 31.067 31.823 -0.087 0.000 0.646 136 V HN 0.354 nan 8.190 nan 0.000 0.447 137 N N 0.368 119.086 118.700 0.030 0.000 2.149 137 N HA -0.168 4.572 4.740 0.001 0.000 0.188 137 N C 1.503 177.066 175.510 0.087 0.000 1.019 137 N CA 1.740 54.831 53.050 0.068 0.000 0.857 137 N CB -0.498 38.034 38.487 0.074 0.000 0.997 137 N HN 0.505 nan 8.380 nan 0.000 0.426 138 D N 0.272 120.731 120.400 0.098 0.000 2.123 138 D HA -0.075 4.565 4.640 0.001 0.000 0.200 138 D C 1.737 178.101 176.300 0.107 0.000 0.976 138 D CA 0.286 54.361 54.000 0.124 0.000 0.831 138 D CB -0.557 40.375 40.800 0.219 0.000 0.974 138 D HN 0.183 nan 8.370 nan 0.000 0.469 139 F N 2.091 122.026 119.950 -0.025 0.000 2.091 139 F HA -0.226 4.300 4.527 -0.000 0.000 0.299 139 F C 2.337 178.119 175.800 -0.029 0.000 1.103 139 F CA 1.624 59.603 58.000 -0.035 0.000 1.228 139 F CB 0.125 39.077 39.000 -0.081 0.000 0.984 139 F HN -0.187 nan 8.300 nan 0.000 0.477 140 R N -0.492 120.128 120.500 0.200 0.000 2.066 140 R HA -0.132 4.209 4.340 0.001 0.000 0.232 140 R C 2.348 178.659 176.300 0.019 0.000 1.131 140 R CA 2.120 58.291 56.100 0.119 0.000 0.955 140 R CB -1.095 29.265 30.300 0.101 0.000 0.851 140 R HN 0.465 nan 8.270 nan 0.000 0.432 141 T N -0.778 113.791 114.554 0.026 0.000 2.904 141 T HA -0.102 4.249 4.350 0.001 0.000 0.267 141 T C 1.890 176.584 174.700 -0.009 0.000 1.059 141 T CA 1.072 63.183 62.100 0.019 0.000 1.137 141 T CB -0.005 68.885 68.868 0.036 0.000 0.879 141 T HN 0.170 nan 8.240 nan 0.000 0.467 142 K N 0.047 120.420 120.400 -0.045 0.000 2.062 142 K HA 0.042 4.362 4.320 0.001 0.000 0.205 142 K C 2.290 178.834 176.600 -0.092 0.000 1.051 142 K CA 0.920 57.169 56.287 -0.063 0.000 0.941 142 K CB -0.127 32.322 32.500 -0.084 0.000 0.719 142 K HN 0.200 nan 8.250 nan 0.000 0.440 143 M N 0.524 119.985 119.600 -0.232 0.000 2.319 143 M HA -0.058 4.423 4.480 0.001 0.000 0.265 143 M C 2.093 178.382 176.300 -0.019 0.000 1.068 143 M CA 1.158 56.330 55.300 -0.213 0.000 1.118 143 M CB -0.681 31.568 32.600 -0.585 0.000 1.395 143 M HN 0.188 nan 8.290 nan 0.000 0.435 144 R N 0.332 120.820 120.500 -0.021 0.000 2.081 144 R HA -0.183 4.158 4.340 0.001 0.000 0.235 144 R C 2.171 178.483 176.300 0.021 0.000 1.131 144 R CA 1.669 57.779 56.100 0.016 0.000 0.960 144 R CB -0.102 30.211 30.300 0.021 0.000 0.856 144 R HN 0.419 nan 8.270 nan 0.000 0.436 145 Q N -0.632 119.186 119.800 0.031 0.000 2.016 145 Q HA -0.187 4.154 4.340 0.001 0.000 0.200 145 Q C 1.838 177.867 176.000 0.048 0.000 0.978 145 Q CA 1.809 57.632 55.803 0.032 0.000 0.833 145 Q CB -0.211 28.550 28.738 0.039 0.000 0.895 145 Q HN 0.384 nan 8.270 nan 0.000 0.427 146 F N 0.280 120.195 119.950 -0.058 0.000 2.120 146 F HA -0.295 4.233 4.527 0.001 0.000 0.300 146 F C 2.023 177.798 175.800 -0.041 0.000 1.095 146 F CA 1.466 59.435 58.000 -0.052 0.000 1.249 146 F CB -0.441 38.519 39.000 -0.066 0.000 0.995 146 F HN 0.201 nan 8.300 nan 0.000 0.480 147 C N 0.244 119.510 119.300 -0.056 0.000 2.450 147 C HA -0.080 4.381 4.460 0.001 0.000 0.279 147 C C 2.582 177.473 174.990 -0.165 0.000 1.335 147 C CA 0.916 59.851 59.018 -0.138 0.000 1.749 147 C CB -1.131 26.609 27.740 -0.000 0.000 1.963 147 C HN 0.513 nan 8.230 nan 0.000 0.501 148 E N 1.038 121.174 120.200 -0.108 0.000 2.110 148 E HA -0.191 4.159 4.350 0.001 0.000 0.193 148 E C 2.021 178.552 176.600 -0.116 0.000 0.988 148 E CA 1.194 57.537 56.400 -0.094 0.000 0.804 148 E CB -0.139 29.529 29.700 -0.053 0.000 0.745 148 E HN 0.708 nan 8.360 nan 0.000 0.458 149 E N 0.877 120.988 120.200 -0.148 0.000 2.072 149 E HA -0.166 4.185 4.350 0.001 0.000 0.191 149 E C 2.156 178.651 176.600 -0.174 0.000 0.985 149 E CA 0.893 57.203 56.400 -0.149 0.000 0.801 149 E CB -0.176 29.424 29.700 -0.165 0.000 0.750 149 E HN 0.210 nan 8.360 nan 0.000 0.452 150 A N 1.836 124.481 122.820 -0.292 0.000 1.908 150 A HA -0.144 4.176 4.320 0.001 0.000 0.218 150 A C 2.451 179.952 177.584 -0.139 0.000 1.181 150 A CA 1.820 53.710 52.037 -0.246 0.000 0.627 150 A CB -0.705 18.080 19.000 -0.358 0.000 0.818 150 A HN 0.301 nan 8.150 nan 0.000 0.445 151 A N -0.411 122.317 122.820 -0.153 0.000 1.930 151 A HA 0.233 4.554 4.320 0.001 0.000 0.217 151 A C 2.458 179.979 177.584 -0.105 0.000 1.175 151 A CA 1.857 53.812 52.037 -0.138 0.000 0.627 151 A CB -0.850 18.075 19.000 -0.125 0.000 0.815 151 A HN 1.000 nan 8.150 nan 0.000 0.443 152 A N -0.816 121.957 122.820 -0.078 0.000 1.898 152 A HA -0.137 4.183 4.320 0.001 0.000 0.216 152 A C 1.994 179.557 177.584 -0.035 0.000 1.181 152 A CA 1.974 53.977 52.037 -0.056 0.000 0.620 152 A CB -0.902 18.072 19.000 -0.044 0.000 0.819 152 A HN 0.733 nan 8.150 nan 0.000 0.442 153 H N 0.295 119.293 119.070 -0.120 0.000 2.390 153 H HA -0.172 4.385 4.556 0.001 0.000 0.298 153 H C 2.097 177.358 175.328 -0.111 0.000 1.106 153 H CA 2.184 58.166 56.048 -0.110 0.000 1.297 153 H CB -0.156 29.532 29.762 -0.123 0.000 1.375 153 H HN 0.519 nan 8.280 nan 0.000 0.509 154 R N -0.380 119.981 120.500 -0.231 0.000 2.153 154 R HA -0.054 4.287 4.340 0.001 0.000 0.218 154 R C 1.563 177.765 176.300 -0.164 0.000 1.072 154 R CA 1.011 56.933 56.100 -0.297 0.000 0.990 154 R CB 0.153 30.227 30.300 -0.376 0.000 0.889 154 R HN 0.291 nan 8.270 nan 0.000 0.452 155 Q N 0.653 120.370 119.800 -0.139 0.000 2.435 155 Q HA -0.102 4.239 4.340 0.001 0.000 0.207 155 Q C 1.105 177.024 176.000 -0.135 0.000 0.956 155 Q CA 1.135 56.864 55.803 -0.124 0.000 0.917 155 Q CB 0.523 29.195 28.738 -0.110 0.000 0.997 155 Q HN 0.727 nan 8.270 nan 0.000 0.497 156 Q N -0.866 118.849 119.800 -0.141 0.000 2.247 156 Q HA 0.236 4.576 4.340 0.001 0.000 0.211 156 Q C 0.264 176.182 176.000 -0.137 0.000 0.861 156 Q CA -0.224 55.504 55.803 -0.126 0.000 0.949 156 Q CB 0.127 28.805 28.738 -0.099 0.000 1.115 156 Q HN 0.152 nan 8.270 nan 0.000 0.507 157 L N 2.425 123.547 121.223 -0.169 0.000 2.573 157 L HA 0.009 4.350 4.340 0.001 0.000 0.290 157 L C 1.067 177.904 176.870 -0.054 0.000 1.247 157 L CA 0.404 55.164 54.840 -0.133 0.000 0.876 157 L CB 0.011 42.024 42.059 -0.076 0.000 1.123 157 L HN 0.292 nan 8.230 nan 0.000 0.505 158 G N 2.297 111.057 108.800 -0.066 0.000 2.664 158 G HA2 -0.103 3.858 3.960 0.001 0.000 0.242 158 G HA3 -0.103 3.858 3.960 0.001 0.000 0.242 158 G C 0.793 175.685 174.900 -0.014 0.000 1.225 158 G CA -0.124 44.937 45.100 -0.065 0.000 0.849 158 G HN 1.052 nan 8.290 nan 0.000 0.581 159 W N 0.503 121.766 121.300 -0.060 0.000 2.388 159 W HA -0.089 4.572 4.660 0.000 0.000 0.294 159 W C 1.339 177.838 176.519 -0.034 0.000 1.212 159 W CA 1.084 58.394 57.345 -0.058 0.000 1.271 159 W CB -1.168 28.217 29.460 -0.125 0.000 1.126 159 W HN 0.203 nan 8.180 nan 0.000 0.535 160 V N 2.124 121.571 119.914 -0.777 0.000 2.295 160 V HA -0.295 3.826 4.120 0.001 0.000 0.246 160 V C 2.469 178.377 176.094 -0.309 0.000 1.049 160 V CA 2.512 64.384 62.300 -0.713 0.000 1.024 160 V CB -0.973 30.328 31.823 -0.871 0.000 0.648 160 V HN 0.111 nan 8.190 nan 0.000 0.447 161 E N -0.720 119.360 120.200 -0.200 0.000 2.153 161 E HA -0.242 4.108 4.350 0.001 0.000 0.194 161 E C 1.968 178.566 176.600 -0.004 0.000 0.988 161 E CA 1.434 57.785 56.400 -0.082 0.000 0.811 161 E CB -0.195 29.459 29.700 -0.075 0.000 0.746 161 E HN 0.801 nan 8.360 nan 0.000 0.466 162 W N 1.480 122.707 121.300 -0.121 0.000 2.379 162 W HA -0.146 4.513 4.660 -0.001 0.000 0.307 162 W C 1.592 178.066 176.519 -0.076 0.000 1.200 162 W CA 0.949 58.253 57.345 -0.068 0.000 1.297 162 W CB -0.423 28.996 29.460 -0.069 0.000 1.140 162 W HN 0.068 nan 8.180 nan 0.000 0.507 163 L N 0.977 122.211 121.223 0.019 0.000 1.997 163 L HA -0.345 3.995 4.340 0.001 0.000 0.216 163 L C 2.832 179.617 176.870 -0.141 0.000 1.074 163 L CA 2.174 56.939 54.840 -0.125 0.000 0.763 163 L CB -1.013 40.810 42.059 -0.392 0.000 0.890 163 L HN 0.067 nan 8.230 nan 0.000 0.434 164 Q N -1.451 118.302 119.800 -0.079 0.000 2.112 164 Q HA -0.295 4.045 4.340 0.001 0.000 0.206 164 Q C 2.010 177.939 176.000 -0.117 0.000 0.987 164 Q CA 2.350 58.174 55.803 0.034 0.000 0.858 164 Q CB -0.349 28.423 28.738 0.057 0.000 0.905 164 Q HN 0.537 nan 8.270 nan 0.000 0.420 165 Y N -0.021 120.065 120.300 -0.358 0.000 2.163 165 Y HA -0.204 4.346 4.550 -0.001 0.000 0.288 165 Y C 2.486 177.991 175.900 -0.658 0.000 1.136 165 Y CA 1.754 59.561 58.100 -0.489 0.000 1.147 165 Y CB -0.397 37.695 38.460 -0.614 0.000 0.987 165 Y HN 0.040 nan 8.280 nan 0.000 0.509 166 S N -1.062 113.854 115.700 -1.307 0.000 2.441 166 S HA 0.105 4.575 4.470 0.001 0.000 0.224 166 S C 0.078 173.869 174.600 -1.348 0.000 1.043 166 S CA -0.002 57.192 58.200 -1.677 0.000 0.948 166 S CB -0.379 61.657 63.200 -1.940 0.000 0.810 166 S HN 0.222 nan 8.310 nan 0.000 0.504 167 F N 3.001 122.723 119.950 -0.380 0.000 2.471 167 F HA 0.540 5.067 4.527 -0.000 0.000 0.318 167 F C -2.730 173.066 175.800 -0.008 0.000 1.308 167 F CA -3.101 54.819 58.000 -0.133 0.000 1.162 167 F CB 0.380 39.366 39.000 -0.023 0.000 1.383 167 F HN 0.015 nan 8.300 nan 0.000 0.552 168 P HA -0.004 nan 4.420 nan 0.000 0.266 168 P C 0.202 177.533 177.300 0.051 0.000 1.195 168 P CA 0.009 63.124 63.100 0.025 0.000 0.768 168 P CB 0.940 32.588 31.700 -0.087 0.000 0.838 169 L N 2.693 123.918 121.223 0.003 0.000 2.485 169 L HA 0.029 4.370 4.340 0.001 0.000 0.275 169 L C 1.024 177.866 176.870 -0.047 0.000 1.207 169 L CA 0.519 55.315 54.840 -0.074 0.000 0.855 169 L CB -0.192 41.742 42.059 -0.208 0.000 1.114 169 L HN 0.337 nan 8.230 nan 0.000 0.485 170 Q N 4.524 124.334 119.800 0.018 0.000 2.425 170 Q HA 0.511 4.852 4.340 0.001 0.000 0.254 170 Q C -1.103 174.903 176.000 0.011 0.000 1.032 170 Q CA -0.196 55.619 55.803 0.020 0.000 0.798 170 Q CB 1.499 30.276 28.738 0.066 0.000 1.210 170 Q HN 0.489 nan 8.270 nan 0.000 0.491 171 L N 0.772 121.931 121.223 -0.106 0.000 2.334 171 L HA 0.477 4.817 4.340 0.001 0.000 0.270 171 L C 0.459 177.256 176.870 -0.122 0.000 1.018 171 L CA -1.229 53.489 54.840 -0.204 0.000 0.811 171 L CB 1.241 43.074 42.059 -0.376 0.000 1.271 171 L HN 0.386 nan 8.230 nan 0.000 0.443 172 E N 1.283 121.404 120.200 -0.132 0.000 2.383 172 E HA 0.249 4.599 4.350 0.001 0.000 0.264 172 E C -1.996 174.524 176.600 -0.133 0.000 1.050 172 E CA -1.249 55.088 56.400 -0.104 0.000 0.896 172 E CB 0.411 30.051 29.700 -0.100 0.000 0.982 172 E HN 0.332 nan 8.360 nan 0.000 0.424 188 R N 1.371 121.880 120.500 0.015 0.000 2.604 188 R HA 0.779 5.119 4.340 0.001 0.000 0.287 188 R C -1.011 175.298 176.300 0.014 0.000 0.970 188 R CA -0.271 55.836 56.100 0.012 0.000 0.946 188 R CB 1.297 31.602 30.300 0.008 0.000 1.127 188 R HN 0.432 nan 8.270 nan 0.000 0.473 189 A N 4.557 127.385 122.820 0.013 0.000 2.304 189 A HA 0.596 4.917 4.320 0.001 0.000 0.301 189 A C -0.506 177.088 177.584 0.017 0.000 1.132 189 A CA -0.685 51.363 52.037 0.018 0.000 0.819 189 A CB 0.550 19.562 19.000 0.020 0.000 1.094 189 A HN 0.699 nan 8.150 nan 0.000 0.492 190 L N 0.170 121.408 121.223 0.025 0.000 2.424 190 L HA 0.794 5.134 4.340 0.001 0.000 0.258 190 L C -1.445 175.448 176.870 0.039 0.000 0.995 190 L CA -0.908 53.947 54.840 0.024 0.000 0.821 190 L CB 1.592 43.660 42.059 0.015 0.000 1.383 190 L HN 0.537 nan 8.230 nan 0.000 0.410 191 L N 2.723 123.967 121.223 0.035 0.000 2.312 191 L HA 0.703 5.044 4.340 0.001 0.000 0.281 191 L C -0.618 176.276 176.870 0.041 0.000 1.070 191 L CA -0.765 54.101 54.840 0.044 0.000 0.805 191 L CB 1.797 43.874 42.059 0.030 0.000 1.174 191 L HN 0.469 nan 8.230 nan 0.000 0.434 192 V N 2.580 122.530 119.914 0.060 0.000 2.735 192 V HA 0.378 4.498 4.120 0.001 0.000 0.310 192 V C -0.335 175.746 176.094 -0.022 0.000 1.061 192 V CA -0.873 61.453 62.300 0.043 0.000 0.913 192 V CB 2.095 33.979 31.823 0.101 0.000 1.005 192 V HN 0.729 nan 8.190 nan 0.000 0.428 193 N N 2.294 120.889 118.700 -0.175 0.000 2.400 193 N HA 0.649 5.389 4.740 0.001 0.000 0.288 193 N C -1.521 173.893 175.510 -0.160 0.000 1.024 193 N CA -0.084 52.788 53.050 -0.298 0.000 0.894 193 N CB 2.033 40.058 38.487 -0.771 0.000 1.173 193 N HN 0.459 nan 8.380 nan 0.000 0.487 194 V N 3.247 123.133 119.914 -0.047 0.000 2.841 194 V HA 0.515 4.636 4.120 0.001 0.000 0.310 194 V C -0.163 175.950 176.094 0.031 0.000 1.090 194 V CA -0.835 61.490 62.300 0.042 0.000 0.930 194 V CB 1.993 33.948 31.823 0.220 0.000 1.014 194 V HN 0.759 nan 8.190 nan 0.000 0.425 195 K N 2.313 122.691 120.400 -0.038 0.000 2.430 195 K HA 0.717 5.037 4.320 0.001 0.000 0.268 195 K C -1.746 174.825 176.600 -0.049 0.000 1.043 195 K CA -0.741 55.550 56.287 0.008 0.000 0.899 195 K CB 2.242 34.723 32.500 -0.033 0.000 1.472 195 K HN 0.346 nan 8.250 nan 0.000 0.451 196 F N 0.434 120.424 119.950 0.066 0.000 2.541 196 F HA 0.264 4.792 4.527 0.000 0.000 0.331 196 F C 1.927 177.764 175.800 0.060 0.000 1.057 196 F CA -0.699 57.355 58.000 0.090 0.000 0.975 196 F CB 1.914 40.979 39.000 0.108 0.000 1.246 196 F HN 0.868 nan 8.300 nan 0.000 0.484 197 E N 0.900 121.249 120.200 0.248 0.000 2.097 197 E HA -0.148 4.202 4.350 0.001 0.000 0.196 197 E C 1.544 178.209 176.600 0.108 0.000 1.000 197 E CA 1.567 58.050 56.400 0.139 0.000 0.804 197 E CB -0.190 29.590 29.700 0.133 0.000 0.740 197 E HN 0.790 nan 8.360 nan 0.000 0.454 198 G N -0.324 108.546 108.800 0.117 0.000 3.690 198 G HA2 0.192 4.152 3.960 0.001 0.000 0.283 198 G HA3 0.192 4.152 3.960 0.001 0.000 0.283 198 G C -0.494 174.450 174.900 0.073 0.000 1.057 198 G CA 0.081 45.226 45.100 0.075 0.000 0.821 198 G HN 0.132 nan 8.290 nan 0.000 0.526 199 S N -0.856 114.900 115.700 0.093 0.000 2.546 199 S HA 0.434 4.905 4.470 0.001 0.000 0.274 199 S C 0.258 174.888 174.600 0.051 0.000 1.121 199 S CA -0.482 57.767 58.200 0.080 0.000 0.887 199 S CB 1.852 65.123 63.200 0.119 0.000 1.094 199 S HN 0.069 nan 8.310 nan 0.000 0.474 200 E N 1.354 121.566 120.200 0.020 0.000 2.400 200 E HA 0.171 4.522 4.350 0.001 0.000 0.195 200 E C -0.166 176.399 176.600 -0.058 0.000 1.012 200 E CA 0.215 56.610 56.400 -0.009 0.000 0.875 200 E CB 0.133 29.830 29.700 -0.006 0.000 0.859 200 E HN 0.666 nan 8.360 nan 0.000 0.498 201 E N 1.072 121.227 120.200 -0.074 0.000 2.414 201 E HA 0.163 4.514 4.350 0.001 0.000 0.263 201 E C -0.337 176.034 176.600 -0.383 0.000 1.000 201 E CA 0.054 56.344 56.400 -0.184 0.000 0.914 201 E CB 0.662 30.280 29.700 -0.136 0.000 0.948 201 E HN 0.093 nan 8.360 nan 0.000 0.444 202 S N 2.158 117.522 115.700 -0.559 0.000 2.618 202 S HA 0.705 5.176 4.470 0.001 0.000 0.277 202 S C -1.206 172.865 174.600 -0.881 0.000 1.138 202 S CA -1.004 56.759 58.200 -0.728 0.000 0.844 202 S CB 0.845 63.854 63.200 -0.318 0.000 1.127 202 S HN 0.302 nan 8.310 nan 0.000 0.474 203 F N 0.204 120.056 119.950 -0.164 0.000 2.540 203 F HA 0.580 5.107 4.527 0.001 0.000 0.317 203 F C 0.194 175.668 175.800 -0.542 0.000 1.104 203 F CA -0.736 57.026 58.000 -0.397 0.000 0.913 203 F CB 2.205 40.862 39.000 -0.572 0.000 1.170 203 F HN 0.510 nan 8.300 nan 0.000 0.450 204 T N 3.632 117.988 114.554 -0.330 0.000 2.749 204 T HA 0.560 4.911 4.350 0.001 0.000 0.287 204 T C -0.797 173.711 174.700 -0.320 0.000 0.970 204 T CA -0.274 61.664 62.100 -0.270 0.000 0.980 204 T CB 0.121 68.907 68.868 -0.137 0.000 0.924 204 T HN 0.202 nan 8.240 nan 0.000 0.456 205 F N 1.607 121.581 119.950 0.040 0.000 2.523 205 F HA 0.484 5.011 4.527 0.001 0.000 0.329 205 F C 0.593 176.402 175.800 0.014 0.000 1.061 205 F CA -1.188 56.830 58.000 0.029 0.000 0.967 205 F CB 1.472 40.486 39.000 0.024 0.000 1.218 205 F HN 0.303 nan 8.300 nan 0.000 0.480 206 Q N 2.761 122.706 119.800 0.241 0.000 2.325 206 Q HA 0.630 4.970 4.340 0.001 0.000 0.262 206 Q C -1.251 174.811 176.000 0.103 0.000 0.968 206 Q CA -0.510 55.371 55.803 0.131 0.000 0.877 206 Q CB 1.656 30.447 28.738 0.088 0.000 1.253 206 Q HN 0.713 nan 8.270 nan 0.000 0.448 207 V N 0.254 120.212 119.914 0.073 0.000 3.139 207 V HA 0.708 4.829 4.120 0.001 0.000 0.310 207 V C -0.435 175.676 176.094 0.028 0.000 1.260 207 V CA -0.983 61.339 62.300 0.036 0.000 1.064 207 V CB 1.574 33.409 31.823 0.020 0.000 1.160 207 V HN 0.633 nan 8.190 nan 0.000 0.470 208 S N -0.178 115.533 115.700 0.018 0.000 2.475 208 S HA 0.395 4.865 4.470 0.001 0.000 0.298 208 S C 1.209 175.822 174.600 0.023 0.000 1.119 208 S CA 0.210 58.420 58.200 0.018 0.000 1.085 208 S CB 1.207 64.413 63.200 0.010 0.000 1.028 208 S HN 1.342 nan 8.310 nan 0.000 0.489 209 T N 2.083 116.652 114.554 0.025 0.000 3.026 209 T HA -0.119 4.232 4.350 0.001 0.000 0.271 209 T C 1.294 176.008 174.700 0.022 0.000 1.149 209 T CA 1.336 63.456 62.100 0.033 0.000 1.088 209 T CB -0.260 68.628 68.868 0.033 0.000 0.857 209 T HN 0.625 nan 8.240 nan 0.000 0.551 210 K N 0.771 121.176 120.400 0.008 0.000 2.352 210 K HA 0.096 4.416 4.320 0.001 0.000 0.194 210 K C -0.012 176.580 176.600 -0.014 0.000 1.038 210 K CA -0.147 56.132 56.287 -0.014 0.000 1.023 210 K CB 0.320 32.815 32.500 -0.007 0.000 0.840 210 K HN 0.237 nan 8.250 nan 0.000 0.519 211 D N 1.822 122.226 120.400 0.006 0.000 2.382 211 D HA 0.010 4.650 4.640 0.001 0.000 0.245 211 D C 0.452 176.777 176.300 0.041 0.000 1.120 211 D CA 0.413 54.420 54.000 0.012 0.000 0.890 211 D CB 0.795 41.599 40.800 0.007 0.000 1.201 211 D HN 0.126 nan 8.370 nan 0.000 0.433 212 M N 2.190 121.817 119.600 0.044 0.000 2.227 212 M HA 0.150 4.630 4.480 0.001 0.000 0.316 212 M C -1.490 174.873 176.300 0.105 0.000 1.144 212 M CA -1.720 53.637 55.300 0.096 0.000 1.121 212 M CB -0.072 32.570 32.600 0.069 0.000 1.440 212 M HN -0.040 nan 8.290 nan 0.000 0.473 213 P HA -0.096 nan 4.420 nan 0.000 0.221 213 P C 1.605 178.952 177.300 0.080 0.000 1.145 213 P CA 0.948 64.115 63.100 0.111 0.000 0.795 213 P CB 0.052 31.847 31.700 0.158 0.000 0.775 214 L N -1.052 120.224 121.223 0.088 0.000 2.156 214 L HA -0.045 4.295 4.340 0.001 0.000 0.208 214 L C 2.201 179.081 176.870 0.016 0.000 1.095 214 L CA 1.454 56.335 54.840 0.067 0.000 0.770 214 L CB -0.979 41.124 42.059 0.074 0.000 0.914 214 L HN -0.108 nan 8.230 nan 0.000 0.439 215 A N -0.996 121.822 122.820 -0.003 0.000 1.930 215 A HA -0.118 4.203 4.320 0.001 0.000 0.215 215 A C 2.236 179.758 177.584 -0.103 0.000 1.176 215 A CA 1.409 53.419 52.037 -0.045 0.000 0.632 215 A CB -0.698 18.280 19.000 -0.035 0.000 0.819 215 A HN 0.438 nan 8.150 nan 0.000 0.445 216 L N -0.816 120.354 121.223 -0.088 0.000 2.056 216 L HA -0.159 4.182 4.340 0.001 0.000 0.207 216 L C 2.613 179.378 176.870 -0.175 0.000 1.078 216 L CA 1.574 56.326 54.840 -0.147 0.000 0.749 216 L CB -0.221 41.803 42.059 -0.059 0.000 0.901 216 L HN 0.404 nan 8.230 nan 0.000 0.433 217 M N -0.792 118.751 119.600 -0.095 0.000 2.117 217 M HA -0.179 4.301 4.480 0.001 0.000 0.262 217 M C 2.409 178.635 176.300 -0.124 0.000 1.065 217 M CA 1.698 56.935 55.300 -0.104 0.000 1.114 217 M CB -0.580 32.003 32.600 -0.028 0.000 1.361 217 M HN 0.437 nan 8.290 nan 0.000 0.408 218 A N -0.616 122.148 122.820 -0.095 0.000 1.972 218 A HA -0.205 4.115 4.320 0.001 0.000 0.219 218 A C 2.349 179.840 177.584 -0.154 0.000 1.169 218 A CA 1.685 53.670 52.037 -0.086 0.000 0.635 218 A CB -1.296 17.671 19.000 -0.056 0.000 0.810 218 A HN 0.634 nan 8.150 nan 0.000 0.446 219 C N -1.058 118.078 119.300 -0.273 0.000 2.453 219 C HA 0.123 4.584 4.460 0.001 0.000 0.277 219 C C 3.246 177.916 174.990 -0.533 0.000 1.262 219 C CA 1.045 59.767 59.018 -0.493 0.000 1.718 219 C CB -1.207 26.066 27.740 -0.778 0.000 2.031 219 C HN 0.684 nan 8.230 nan 0.000 0.480 220 A N -0.153 122.435 122.820 -0.387 0.000 1.972 220 A HA -0.056 4.264 4.320 0.001 0.000 0.219 220 A C 2.087 179.736 177.584 0.109 0.000 1.169 220 A CA 1.503 53.562 52.037 0.037 0.000 0.635 220 A CB -0.567 18.490 19.000 0.095 0.000 0.810 220 A HN 0.669 nan 8.150 nan 0.000 0.446 221 L N -1.579 119.659 121.223 0.024 0.000 2.179 221 L HA -0.068 4.272 4.340 0.001 0.000 0.208 221 L C 2.766 179.621 176.870 -0.026 0.000 1.096 221 L CA 0.753 55.618 54.840 0.042 0.000 0.779 221 L CB -0.392 41.669 42.059 0.004 0.000 0.922 221 L HN 0.352 nan 8.230 nan 0.000 0.443 222 R N 0.077 120.544 120.500 -0.056 0.000 2.080 222 R HA -0.182 4.158 4.340 0.001 0.000 0.236 222 R C 2.331 178.591 176.300 -0.066 0.000 1.137 222 R CA 1.276 57.344 56.100 -0.053 0.000 0.943 222 R CB -0.112 30.152 30.300 -0.060 0.000 0.846 222 R HN 0.010 nan 8.270 nan 0.000 0.431 223 K N 1.130 121.466 120.400 -0.105 0.000 2.147 223 K HA -0.127 4.194 4.320 0.001 0.000 0.205 223 K C 1.789 178.180 176.600 -0.347 0.000 1.049 223 K CA 1.366 57.496 56.287 -0.262 0.000 0.936 223 K CB -0.173 32.036 32.500 -0.484 0.000 0.722 223 K HN 0.060 nan 8.250 nan 0.000 0.446 224 K N -0.265 119.965 120.400 -0.284 0.000 2.025 224 K HA -0.047 4.274 4.320 0.001 0.000 0.207 224 K C 1.865 178.503 176.600 0.064 0.000 1.049 224 K CA 1.233 57.477 56.287 -0.071 0.000 0.933 224 K CB -0.094 32.249 32.500 -0.261 0.000 0.714 224 K HN 0.098 nan 8.250 nan 0.000 0.438 225 A N 0.814 123.630 122.820 -0.008 0.000 2.019 225 A HA -0.158 4.163 4.320 0.001 0.000 0.219 225 A C 2.118 179.725 177.584 0.038 0.000 1.164 225 A CA 2.339 54.389 52.037 0.021 0.000 0.644 225 A CB -0.857 18.141 19.000 -0.004 0.000 0.805 225 A HN 0.643 nan 8.150 nan 0.000 0.449 226 T N -3.333 111.229 114.554 0.013 0.000 2.809 226 T HA -0.046 4.304 4.350 0.001 0.000 0.260 226 T C 1.713 176.420 174.700 0.012 0.000 1.039 226 T CA 1.297 63.402 62.100 0.008 0.000 1.141 226 T CB -0.759 68.106 68.868 -0.006 0.000 0.869 226 T HN 0.035 nan 8.240 nan 0.000 0.437 227 V N 0.629 120.554 119.914 0.019 0.000 2.343 227 V HA 0.003 4.124 4.120 0.001 0.000 0.247 227 V C 2.023 178.027 176.094 -0.150 0.000 1.051 227 V CA 1.458 63.735 62.300 -0.038 0.000 1.036 227 V CB -0.858 30.986 31.823 0.035 0.000 0.654 227 V HN 0.472 nan 8.190 nan 0.000 0.451 228 F N -0.030 119.908 119.950 -0.021 0.000 2.693 228 F HA 0.298 4.826 4.527 0.001 0.000 0.303 228 F C 1.411 177.193 175.800 -0.029 0.000 1.143 228 F CA -0.078 57.904 58.000 -0.031 0.000 1.389 228 F CB -0.166 38.800 39.000 -0.056 0.000 1.060 228 F HN -0.013 nan 8.300 nan 0.000 0.535 229 R N 0.369 120.914 120.500 0.075 0.000 4.000 229 R HA -0.274 4.067 4.340 0.001 0.000 0.348 229 R C 0.432 176.761 176.300 0.048 0.000 1.204 229 R CA 1.038 57.163 56.100 0.042 0.000 0.987 229 R CB -1.724 28.588 30.300 0.021 0.000 1.446 229 R HN 0.628 nan 8.270 nan 0.000 0.555 236 P HA -0.131 nan 4.420 nan 0.000 0.218 236 P C 0.090 177.571 177.300 0.302 0.000 1.149 236 P CA 1.036 64.260 63.100 0.207 0.000 0.817 236 P CB 0.473 32.237 31.700 0.108 0.000 0.785 237 E N -0.246 120.102 120.200 0.247 0.000 2.516 237 E HA -0.099 4.252 4.350 0.001 0.000 0.199 237 E C 1.076 177.886 176.600 0.351 0.000 1.069 237 E CA 0.532 57.096 56.400 0.272 0.000 0.876 237 E CB -0.609 29.209 29.700 0.197 0.000 0.843 237 E HN 0.470 nan 8.360 nan 0.000 0.530 238 E N -0.574 119.760 120.200 0.223 0.000 2.476 238 E HA 0.077 4.428 4.350 0.001 0.000 0.196 238 E C -0.543 175.685 176.600 -0.620 0.000 1.029 238 E CA 0.016 56.278 56.400 -0.229 0.000 0.896 238 E CB 0.423 29.912 29.700 -0.352 0.000 1.012 238 E HN 0.276 nan 8.360 nan 0.000 0.475 239 Y N -0.088 120.197 120.300 -0.024 0.000 2.570 239 Y HA 0.601 5.152 4.550 0.001 0.000 0.345 239 Y C -0.036 175.981 175.900 0.195 0.000 1.014 239 Y CA -1.151 56.951 58.100 0.003 0.000 1.063 239 Y CB 1.821 40.321 38.460 0.067 0.000 1.272 239 Y HN -0.152 nan 8.280 nan 0.000 0.477 240 A N 1.577 124.619 122.820 0.371 0.000 2.423 240 A HA 0.838 5.158 4.320 0.001 0.000 0.304 240 A C -1.805 175.958 177.584 0.298 0.000 1.104 240 A CA -0.842 51.435 52.037 0.401 0.000 0.757 240 A CB 1.131 20.416 19.000 0.475 0.000 1.313 240 A HN 0.725 nan 8.150 nan 0.000 0.423 241 L N 1.692 123.046 121.223 0.219 0.000 2.262 241 L HA 0.382 4.723 4.340 0.001 0.000 0.288 241 L C 0.462 177.252 176.870 -0.134 0.000 1.035 241 L CA -0.164 54.692 54.840 0.027 0.000 0.820 241 L CB 1.321 43.366 42.059 -0.023 0.000 1.204 241 L HN 0.814 nan 8.230 nan 0.000 0.424 242 Q N 2.315 121.894 119.800 -0.368 0.000 2.259 242 Q HA 0.326 4.667 4.340 0.001 0.000 0.249 242 Q C -0.775 174.940 176.000 -0.476 0.000 0.914 242 Q CA -0.707 54.605 55.803 -0.818 0.000 0.904 242 Q CB 1.807 29.969 28.738 -0.961 0.000 1.213 242 Q HN 0.407 nan 8.270 nan 0.000 0.428 243 V N 4.452 124.062 119.914 -0.507 0.000 2.572 243 V HA -0.009 4.112 4.120 0.001 0.000 0.291 243 V C 0.144 176.023 176.094 -0.358 0.000 1.039 243 V CA -0.455 61.562 62.300 -0.472 0.000 1.055 243 V CB 0.538 31.942 31.823 -0.699 0.000 0.969 243 V HN 0.755 nan 8.190 nan 0.000 0.482 244 N N 3.803 122.366 118.700 -0.228 0.000 2.411 244 N HA 0.198 4.938 4.740 0.001 0.000 0.261 244 N C 1.272 176.691 175.510 -0.152 0.000 1.248 244 N CA 1.242 54.208 53.050 -0.141 0.000 0.885 244 N CB 0.626 39.092 38.487 -0.034 0.000 1.062 244 N HN 1.102 nan 8.380 nan 0.000 0.471 245 G N 1.417 110.138 108.800 -0.131 0.000 2.166 245 G HA2 -0.328 3.633 3.960 0.001 0.000 0.260 245 G HA3 -0.328 3.633 3.960 0.001 0.000 0.260 245 G C 0.064 174.870 174.900 -0.156 0.000 0.986 245 G CA 0.345 45.376 45.100 -0.115 0.000 0.683 245 G HN 0.630 nan 8.290 nan 0.000 0.527 246 R N -1.298 119.084 120.500 -0.196 0.000 2.892 246 R HA 0.547 4.888 4.340 0.001 0.000 0.265 246 R C -0.784 175.431 176.300 -0.142 0.000 1.025 246 R CA -1.105 54.879 56.100 -0.193 0.000 0.982 246 R CB 0.815 31.006 30.300 -0.183 0.000 1.185 246 R HN 0.163 nan 8.270 nan 0.000 0.484 247 H N 1.432 120.479 119.070 -0.038 0.000 2.855 247 H HA 0.244 4.799 4.556 -0.000 0.000 0.238 247 H C -0.663 174.706 175.328 0.068 0.000 1.847 247 H CA 0.120 56.190 56.048 0.036 0.000 1.368 247 H CB -0.244 29.713 29.762 0.326 0.000 1.758 247 H HN 0.439 nan 8.280 nan 0.000 0.546 248 E N 1.712 121.919 120.200 0.011 0.000 2.335 248 E HA 0.299 4.650 4.350 0.001 0.000 0.280 248 E C -1.540 175.004 176.600 -0.092 0.000 0.918 248 E CA -0.665 55.771 56.400 0.060 0.000 0.765 248 E CB 1.661 31.327 29.700 -0.058 0.000 1.218 248 E HN 0.170 nan 8.360 nan 0.000 0.425 249 Y N 1.853 122.141 120.300 -0.020 0.000 2.512 249 Y HA 0.476 5.026 4.550 0.000 0.000 0.348 249 Y C -0.790 175.098 175.900 -0.020 0.000 0.990 249 Y CA -0.887 57.242 58.100 0.049 0.000 1.033 249 Y CB 1.513 40.133 38.460 0.266 0.000 1.259 249 Y HN 0.396 nan 8.280 nan 0.000 0.461 250 L N 4.397 125.638 121.223 0.031 0.000 2.298 250 L HA 0.523 4.863 4.340 0.001 0.000 0.284 250 L C -0.993 175.904 176.870 0.045 0.000 1.013 250 L CA -1.071 53.532 54.840 -0.396 0.000 0.824 250 L CB 0.037 41.678 42.059 -0.697 0.000 1.221 250 L HN 0.640 nan 8.230 nan 0.000 0.418 251 Y N 0.895 121.294 120.300 0.165 0.000 2.725 251 Y HA 0.877 5.427 4.550 0.001 0.000 0.333 251 Y C 0.221 176.412 175.900 0.485 0.000 1.242 251 Y CA -1.209 57.068 58.100 0.294 0.000 1.059 251 Y CB 0.960 39.569 38.460 0.249 0.000 1.306 251 Y HN 0.836 nan 8.280 nan 0.000 0.454 252 G N 1.089 110.219 108.800 0.549 0.000 2.707 252 G HA2 -0.142 3.819 3.960 0.001 0.000 0.686 252 G HA3 -0.142 3.819 3.960 0.001 0.000 0.686 252 G C -1.649 173.395 174.900 0.240 0.000 1.315 252 G CA -0.777 44.575 45.100 0.419 0.000 0.832 252 G HN 0.919 nan 8.290 nan 0.000 0.573 253 N N 0.965 119.592 118.700 -0.121 0.000 2.807 253 N HA 0.441 5.181 4.740 0.001 0.000 0.259 253 N C -1.042 174.139 175.510 -0.548 0.000 1.149 253 N CA 0.473 53.384 53.050 -0.233 0.000 1.042 253 N CB 0.061 38.412 38.487 -0.226 0.000 1.367 253 N HN 0.433 nan 8.380 nan 0.000 0.516 254 Y N 0.060 120.372 120.300 0.020 0.000 2.504 254 Y HA 0.378 4.928 4.550 0.001 0.000 0.344 254 Y C -2.277 173.561 175.900 -0.104 0.000 1.023 254 Y CA -2.293 55.733 58.100 -0.124 0.000 1.020 254 Y CB 2.025 40.272 38.460 -0.356 0.000 1.282 254 Y HN 0.226 nan 8.280 nan 0.000 0.454 255 P HA 0.183 nan 4.420 nan 0.000 0.271 255 P C 0.731 178.050 177.300 0.032 0.000 1.218 255 P CA -0.146 62.869 63.100 -0.142 0.000 0.780 255 P CB 0.897 32.365 31.700 -0.386 0.000 0.901 256 L N 2.047 123.384 121.223 0.190 0.000 2.089 256 L HA -0.262 4.079 4.340 0.001 0.000 0.213 256 L C 2.194 179.248 176.870 0.306 0.000 1.079 256 L CA 1.920 56.970 54.840 0.350 0.000 0.758 256 L CB -1.141 41.030 42.059 0.187 0.000 0.891 256 L HN 0.524 nan 8.230 nan 0.000 0.433 257 C N -2.754 116.646 119.300 0.166 0.000 2.485 257 C HA -0.070 4.390 4.460 0.001 0.000 0.283 257 C C 2.078 177.236 174.990 0.280 0.000 1.478 257 C CA -0.075 59.057 59.018 0.190 0.000 1.741 257 C CB -1.934 25.899 27.740 0.155 0.000 1.675 257 C HN 0.484 nan 8.230 nan 0.000 0.573 258 H N -1.691 117.378 119.070 -0.002 0.000 2.592 258 H HA 0.235 4.791 4.556 0.001 0.000 0.265 258 H C -0.084 175.072 175.328 -0.286 0.000 0.955 258 H CA -0.235 55.718 56.048 -0.159 0.000 1.175 258 H CB 0.108 29.732 29.762 -0.230 0.000 1.433 258 H HN 0.421 nan 8.280 nan 0.000 0.537 259 F N 1.856 121.870 119.950 0.107 0.000 2.438 259 F HA 0.038 4.565 4.527 0.001 0.000 0.356 259 F C 1.546 177.384 175.800 0.064 0.000 1.099 259 F CA -0.135 57.892 58.000 0.045 0.000 1.185 259 F CB 1.062 40.103 39.000 0.068 0.000 1.115 259 F HN 0.007 nan 8.300 nan 0.000 0.526 260 Q N 1.967 121.892 119.800 0.209 0.000 2.118 260 Q HA -0.310 4.031 4.340 0.001 0.000 0.211 260 Q C 1.713 177.838 176.000 0.209 0.000 0.998 260 Q CA 2.304 58.205 55.803 0.164 0.000 0.872 260 Q CB -0.409 28.406 28.738 0.130 0.000 0.925 260 Q HN 0.830 nan 8.270 nan 0.000 0.414 261 Y N 0.898 121.280 120.300 0.136 0.000 2.114 261 Y HA -0.251 4.300 4.550 0.002 0.000 0.284 261 Y C 1.905 177.872 175.900 0.110 0.000 1.143 261 Y CA 1.313 59.472 58.100 0.098 0.000 1.135 261 Y CB -0.240 38.252 38.460 0.053 0.000 0.980 261 Y HN 0.045 nan 8.280 nan 0.000 0.499 262 I N -0.471 120.056 120.570 -0.071 0.000 2.179 262 I HA -0.338 3.832 4.170 0.001 0.000 0.242 262 I C 2.966 179.046 176.117 -0.061 0.000 1.088 262 I CA 1.400 62.613 61.300 -0.145 0.000 1.357 262 I CB -1.935 36.109 38.000 0.074 0.000 1.051 262 I HN 0.454 nan 8.210 nan 0.000 0.409 263 C N 0.386 119.725 119.300 0.065 0.000 2.398 263 C HA -0.225 4.235 4.460 0.001 0.000 0.276 263 C C 3.494 178.557 174.990 0.122 0.000 1.222 263 C CA 1.969 61.052 59.018 0.108 0.000 1.746 263 C CB -0.963 26.857 27.740 0.133 0.000 2.039 263 C HN 0.637 nan 8.230 nan 0.000 0.470 264 S N -1.130 114.616 115.700 0.076 0.000 2.382 264 S HA -0.186 4.285 4.470 0.001 0.000 0.228 264 S C 1.910 176.534 174.600 0.041 0.000 1.027 264 S CA 2.105 60.354 58.200 0.082 0.000 0.991 264 S CB -0.672 62.580 63.200 0.086 0.000 0.823 264 S HN 0.789 nan 8.310 nan 0.000 0.469 265 C N 1.080 120.321 119.300 -0.098 0.000 2.429 265 C HA 0.056 4.517 4.460 0.001 0.000 0.277 265 C C 2.556 177.523 174.990 -0.038 0.000 1.262 265 C CA 0.734 59.678 59.018 -0.125 0.000 1.733 265 C CB -1.623 25.931 27.740 -0.309 0.000 2.010 265 C HN 0.610 nan 8.230 nan 0.000 0.483 266 L N -0.572 120.634 121.223 -0.028 0.000 2.012 266 L HA -0.203 4.137 4.340 0.001 0.000 0.210 266 L C 2.768 179.605 176.870 -0.055 0.000 1.073 266 L CA 1.529 56.342 54.840 -0.045 0.000 0.748 266 L CB -0.882 41.138 42.059 -0.065 0.000 0.891 266 L HN 0.501 nan 8.230 nan 0.000 0.431 267 H N -0.661 118.414 119.070 0.009 0.000 2.423 267 H HA -0.065 4.491 4.556 0.001 0.000 0.297 267 H C 2.435 177.778 175.328 0.025 0.000 1.075 267 H CA 1.726 57.788 56.048 0.024 0.000 1.342 267 H CB 0.208 29.991 29.762 0.035 0.000 1.395 267 H HN 0.402 nan 8.280 nan 0.000 0.530 268 S N -1.296 114.480 115.700 0.128 0.000 2.548 268 S HA 0.205 4.675 4.470 0.001 0.000 0.215 268 S C 1.758 176.382 174.600 0.040 0.000 0.976 268 S CA 0.670 58.919 58.200 0.082 0.000 0.908 268 S CB 0.735 63.980 63.200 0.076 0.000 0.781 268 S HN 0.596 nan 8.310 nan 0.000 0.519 269 G N 1.014 109.829 108.800 0.024 0.000 2.420 269 G HA2 -0.245 3.716 3.960 0.001 0.000 0.221 269 G HA3 -0.245 3.716 3.960 0.001 0.000 0.221 269 G C -0.015 174.891 174.900 0.010 0.000 1.117 269 G CA -0.097 45.009 45.100 0.009 0.000 0.657 269 G HN 0.488 nan 8.290 nan 0.000 0.512 270 L N 2.142 123.375 121.223 0.017 0.000 2.517 270 L HA 0.337 4.677 4.340 0.001 0.000 0.294 270 L C 1.105 177.995 176.870 0.034 0.000 1.264 270 L CA 1.407 56.264 54.840 0.029 0.000 0.839 270 L CB 0.278 42.358 42.059 0.036 0.000 1.098 270 L HN 0.291 nan 8.230 nan 0.000 0.525 271 T N 4.154 118.760 114.554 0.086 0.000 2.728 271 T HA 0.280 4.631 4.350 0.001 0.000 0.296 271 T C -2.322 172.503 174.700 0.208 0.000 0.940 271 T CA -1.064 61.107 62.100 0.117 0.000 1.013 271 T CB 0.697 69.651 68.868 0.142 0.000 0.912 271 T HN 0.375 nan 8.240 nan 0.000 0.484 272 P HA 0.013 nan 4.420 nan 0.000 0.264 272 P C -0.548 176.918 177.300 0.277 0.000 1.183 272 P CA 0.073 63.259 63.100 0.143 0.000 0.763 272 P CB 0.452 32.148 31.700 -0.006 0.000 0.807 273 H N 2.747 121.958 119.070 0.236 0.000 2.646 273 H HA 0.459 5.015 4.556 0.001 0.000 0.328 273 H C -0.218 175.146 175.328 0.059 0.000 0.998 273 H CA -0.652 55.463 56.048 0.112 0.000 1.225 273 H CB 1.261 31.066 29.762 0.071 0.000 1.457 273 H HN 0.289 nan 8.280 nan 0.000 0.505 274 L N 2.317 123.574 121.223 0.056 0.000 2.388 274 L HA 0.409 4.749 4.340 0.001 0.000 0.264 274 L C -0.133 176.694 176.870 -0.070 0.000 0.998 274 L CA -0.761 54.066 54.840 -0.022 0.000 0.817 274 L CB 2.572 44.623 42.059 -0.013 0.000 1.338 274 L HN 0.483 nan 8.230 nan 0.000 0.414 275 T N 2.474 116.957 114.554 -0.118 0.000 2.807 275 T HA 0.458 4.809 4.350 0.001 0.000 0.279 275 T C -0.051 174.561 174.700 -0.147 0.000 0.993 275 T CA -0.621 61.403 62.100 -0.127 0.000 0.970 275 T CB 1.453 70.264 68.868 -0.095 0.000 0.950 275 T HN 0.301 nan 8.240 nan 0.000 0.441 276 M N 3.747 123.189 119.600 -0.264 0.000 2.251 276 M HA 0.232 4.712 4.480 0.001 0.000 0.346 276 M C -0.603 175.755 176.300 0.097 0.000 1.499 276 M CA -0.075 55.083 55.300 -0.236 0.000 1.128 276 M CB 0.094 32.153 32.600 -0.901 0.000 1.809 276 M HN 0.302 nan 8.290 nan 0.000 0.464 277 V N 3.827 123.892 119.914 0.252 0.000 2.448 277 V HA 0.230 4.351 4.120 0.001 0.000 0.295 277 V C -0.121 176.073 176.094 0.166 0.000 1.025 277 V CA -0.847 61.601 62.300 0.246 0.000 0.859 277 V CB 1.505 33.456 31.823 0.213 0.000 0.988 277 V HN 0.740 nan 8.190 nan 0.000 0.431 278 H N 2.854 121.834 119.070 -0.150 0.000 2.615 278 H HA 0.188 4.744 4.556 0.000 0.000 0.363 278 H C 1.544 176.500 175.328 -0.620 0.000 1.148 278 H CA 0.661 56.303 56.048 -0.677 0.000 1.401 278 H CB 1.566 30.998 29.762 -0.550 0.000 1.461 278 H HN 0.761 nan 8.280 nan 0.000 0.588 279 S N 1.454 116.282 115.700 -1.455 0.000 2.383 279 S HA -0.271 4.199 4.470 0.001 0.000 0.229 279 S C 2.277 176.366 174.600 -0.851 0.000 1.030 279 S CA 1.264 58.505 58.200 -1.599 0.000 1.002 279 S CB -0.769 60.989 63.200 -2.402 0.000 0.829 279 S HN 0.705 nan 8.310 nan 0.000 0.467 280 S N 1.750 117.109 115.700 -0.569 0.000 2.419 280 S HA -0.111 4.359 4.470 0.001 0.000 0.233 280 S C 1.952 176.452 174.600 -0.167 0.000 1.016 280 S CA 1.322 59.388 58.200 -0.223 0.000 0.974 280 S CB -0.817 62.389 63.200 0.009 0.000 0.786 280 S HN 0.627 nan 8.310 nan 0.000 0.492 281 S N 0.975 116.587 115.700 -0.146 0.000 2.425 281 S HA 0.168 4.639 4.470 0.001 0.000 0.225 281 S C 1.752 176.298 174.600 -0.090 0.000 1.024 281 S CA 0.490 58.644 58.200 -0.078 0.000 0.951 281 S CB -0.563 62.632 63.200 -0.009 0.000 0.796 281 S HN 0.610 nan 8.310 nan 0.000 0.498 282 I N 1.202 121.691 120.570 -0.135 0.000 2.286 282 I HA -0.078 4.093 4.170 0.001 0.000 0.245 282 I C 2.188 178.166 176.117 -0.233 0.000 1.104 282 I CA 0.883 62.132 61.300 -0.086 0.000 1.397 282 I CB -0.287 37.720 38.000 0.012 0.000 1.072 282 I HN 0.280 nan 8.210 nan 0.000 0.417 283 L N 0.590 121.667 121.223 -0.243 0.000 2.131 283 L HA -0.194 4.147 4.340 0.001 0.000 0.210 283 L C 2.743 179.423 176.870 -0.317 0.000 1.092 283 L CA 1.166 55.831 54.840 -0.292 0.000 0.759 283 L CB -0.575 41.361 42.059 -0.204 0.000 0.903 283 L HN 0.253 nan 8.230 nan 0.000 0.435 284 A N -0.660 122.022 122.820 -0.230 0.000 2.015 284 A HA -0.169 4.151 4.320 0.001 0.000 0.219 284 A C 2.286 179.738 177.584 -0.221 0.000 1.163 284 A CA 1.229 53.153 52.037 -0.189 0.000 0.646 284 A CB -0.317 18.614 19.000 -0.116 0.000 0.806 284 A HN 0.328 nan 8.150 nan 0.000 0.448 285 M N -1.331 118.116 119.600 -0.254 0.000 2.099 285 M HA -0.110 4.371 4.480 0.001 0.000 0.262 285 M C 2.421 178.395 176.300 -0.544 0.000 1.067 285 M CA 1.748 56.900 55.300 -0.246 0.000 1.124 285 M CB -0.319 32.249 32.600 -0.054 0.000 1.353 285 M HN 0.504 nan 8.290 nan 0.000 0.410 286 R N 0.758 120.602 120.500 -1.092 0.000 2.080 286 R HA -0.202 4.138 4.340 0.001 0.000 0.236 286 R C 1.476 177.339 176.300 -0.727 0.000 1.137 286 R CA 2.261 57.401 56.100 -1.600 0.000 0.943 286 R CB -0.319 29.024 30.300 -1.594 0.000 0.846 286 R HN 0.322 nan 8.270 nan 0.000 0.431 287 D N 0.479 120.593 120.400 -0.476 0.000 2.117 287 D HA -0.195 4.445 4.640 0.001 0.000 0.197 287 D C 1.756 177.930 176.300 -0.209 0.000 0.987 287 D CA 1.696 55.526 54.000 -0.284 0.000 0.829 287 D CB -0.353 40.321 40.800 -0.211 0.000 0.961 287 D HN 0.627 nan 8.370 nan 0.000 0.460 288 E N 0.689 120.769 120.200 -0.201 0.000 2.338 288 E HA -0.181 4.170 4.350 0.001 0.000 0.197 288 E C 1.238 177.772 176.600 -0.110 0.000 1.007 288 E CA 0.750 57.080 56.400 -0.116 0.000 0.849 288 E CB -0.260 29.397 29.700 -0.071 0.000 0.774 288 E HN 0.327 nan 8.360 nan 0.000 0.506 289 Q N 1.416 121.083 119.800 -0.221 0.000 2.319 289 Q HA 0.076 4.416 4.340 0.001 0.000 0.202 289 Q C 0.382 176.349 176.000 -0.055 0.000 0.896 289 Q CA 0.135 55.804 55.803 -0.223 0.000 0.942 289 Q CB 0.818 29.346 28.738 -0.349 0.000 1.083 289 Q HN 0.268 nan 8.270 nan 0.000 0.510 290 S N 0.030 115.683 115.700 -0.077 0.000 2.576 290 S HA 0.049 4.520 4.470 0.001 0.000 0.272 290 S C 0.226 174.818 174.600 -0.014 0.000 1.352 290 S CA -0.475 57.692 58.200 -0.055 0.000 1.021 290 S CB 0.855 64.009 63.200 -0.076 0.000 0.887 290 S HN 0.208 nan 8.310 nan 0.000 0.542 317 W N 0.517 121.709 121.300 -0.181 0.000 2.961 317 W HA 0.211 4.871 4.660 0.001 0.000 0.240 317 W C 1.026 177.466 176.519 -0.132 0.000 1.305 317 W CA 0.833 58.026 57.345 -0.254 0.000 1.465 317 W CB -1.329 28.000 29.460 -0.220 0.000 1.135 317 W HN 0.535 nan 8.180 nan 0.000 0.688 318 S N 1.659 117.304 115.700 -0.091 0.000 2.356 318 S HA -0.085 4.386 4.470 0.001 0.000 0.223 318 S C 1.216 175.686 174.600 -0.216 0.000 1.032 318 S CA 0.848 58.923 58.200 -0.210 0.000 1.005 318 S CB -0.510 62.671 63.200 -0.033 0.000 0.867 318 S HN 0.202 nan 8.310 nan 0.000 0.449 319 L N 2.582 123.735 121.223 -0.116 0.000 2.536 319 L HA 0.157 4.497 4.340 0.001 0.000 0.282 319 L C 1.154 177.969 176.870 -0.093 0.000 1.147 319 L CA 0.073 54.869 54.840 -0.073 0.000 0.936 319 L CB -0.080 41.974 42.059 -0.007 0.000 1.279 319 L HN 0.200 nan 8.230 nan 0.000 0.461 320 E N 1.450 121.581 120.200 -0.116 0.000 2.447 320 E HA -0.036 4.315 4.350 0.001 0.000 0.195 320 E C 0.624 177.200 176.600 -0.040 0.000 1.028 320 E CA -0.113 56.224 56.400 -0.105 0.000 0.876 320 E CB 0.375 29.985 29.700 -0.151 0.000 0.885 320 E HN 0.661 nan 8.360 nan 0.000 0.500 321 Q N 1.640 121.427 119.800 -0.021 0.000 2.421 321 Q HA 0.150 4.490 4.340 0.001 0.000 0.255 321 Q C -2.542 173.484 176.000 0.043 0.000 1.013 321 Q CA -1.879 53.927 55.803 0.005 0.000 0.895 321 Q CB -0.370 28.370 28.738 0.002 0.000 1.271 321 Q HN -0.221 nan 8.270 nan 0.000 0.460 322 P HA 0.002 nan 4.420 nan 0.000 0.268 322 P C -0.787 176.608 177.300 0.158 0.000 1.208 322 P CA -0.076 63.088 63.100 0.107 0.000 0.777 322 P CB 0.187 31.935 31.700 0.080 0.000 0.875 323 F N 2.004 122.010 119.950 0.092 0.000 2.382 323 F HA 0.452 4.980 4.527 0.001 0.000 0.331 323 F C 0.151 176.087 175.800 0.227 0.000 1.121 323 F CA 0.711 58.774 58.000 0.104 0.000 1.183 323 F CB 0.579 39.600 39.000 0.036 0.000 1.207 323 F HN 0.418 nan 8.300 nan 0.000 0.555 324 S N 5.166 120.356 115.700 -0.850 0.000 2.565 324 S HA 0.712 5.182 4.470 0.001 0.000 0.274 324 S C -1.081 173.167 174.600 -0.587 0.000 1.144 324 S CA -0.849 57.111 58.200 -0.400 0.000 0.849 324 S CB 1.112 64.216 63.200 -0.160 0.000 1.103 324 S HN 0.963 nan 8.310 nan 0.000 0.455 325 I N -1.749 118.736 120.570 -0.143 0.000 2.934 325 I HA 0.793 4.963 4.170 0.001 0.000 0.306 325 I C -0.662 175.485 176.117 0.051 0.000 1.110 325 I CA -0.938 60.350 61.300 -0.020 0.000 1.019 325 I CB 2.036 40.145 38.000 0.182 0.000 1.227 325 I HN 0.823 nan 8.210 nan 0.000 0.434 326 E N 3.120 123.378 120.200 0.098 0.000 2.146 326 E HA 0.386 4.736 4.350 0.001 0.000 0.282 326 E C -1.393 175.257 176.600 0.084 0.000 0.989 326 E CA -0.922 55.528 56.400 0.083 0.000 0.799 326 E CB 1.610 31.356 29.700 0.076 0.000 1.088 326 E HN 0.652 nan 8.360 nan 0.000 0.397 327 L N 6.613 127.861 121.223 0.042 0.000 2.283 327 L HA 0.298 4.638 4.340 0.001 0.000 0.287 327 L C -0.288 176.635 176.870 0.088 0.000 1.073 327 L CA 0.413 55.245 54.840 -0.014 0.000 0.822 327 L CB 0.408 42.367 42.059 -0.166 0.000 1.186 327 L HN 0.759 nan 8.230 nan 0.000 0.436 328 I N 3.254 123.885 120.570 0.102 0.000 2.731 328 I HA 0.202 4.373 4.170 0.001 0.000 0.235 328 I C 0.475 176.740 176.117 0.247 0.000 1.064 328 I CA 0.413 61.796 61.300 0.139 0.000 1.439 328 I CB 0.047 38.090 38.000 0.073 0.000 1.255 328 I HN 0.737 nan 8.210 nan 0.000 0.446 329 E N -0.244 120.087 120.200 0.219 0.000 2.449 329 E HA 0.653 5.004 4.350 0.001 0.000 0.278 329 E C -0.936 175.779 176.600 0.192 0.000 1.059 329 E CA -1.072 55.459 56.400 0.218 0.000 0.854 329 E CB 1.798 31.529 29.700 0.052 0.000 1.465 329 E HN 0.159 nan 8.360 nan 0.000 0.462 330 G N -0.114 108.764 108.800 0.129 0.000 2.788 330 G HA2 0.650 4.610 3.960 0.001 0.000 0.293 330 G HA3 0.650 4.610 3.960 0.001 0.000 0.293 330 G C -1.459 173.442 174.900 0.001 0.000 1.392 330 G CA -1.084 44.059 45.100 0.072 0.000 0.810 330 G HN 0.516 nan 8.290 nan 0.000 0.508 331 R N 0.373 120.869 120.500 -0.007 0.000 2.921 331 R HA 0.441 4.782 4.340 0.001 0.000 0.269 331 R C -1.298 174.998 176.300 -0.006 0.000 1.696 331 R CA -0.838 55.254 56.100 -0.015 0.000 1.161 331 R CB 1.029 31.320 30.300 -0.015 0.000 1.337 331 R HN 0.650 nan 8.270 nan 0.000 0.496 332 K N -0.662 119.735 120.400 -0.004 0.000 2.318 332 K HA 0.647 4.967 4.320 0.001 0.000 0.265 332 K C -1.138 175.465 176.600 0.005 0.000 1.055 332 K CA -1.102 55.189 56.287 0.006 0.000 0.896 332 K CB 1.255 33.769 32.500 0.024 0.000 1.479 332 K HN 0.049 nan 8.250 nan 0.000 0.449 333 V N 0.765 120.688 119.914 0.015 0.000 2.531 333 V HA 0.617 4.738 4.120 0.001 0.000 0.301 333 V C -1.230 174.881 176.094 0.028 0.000 1.034 333 V CA -0.200 62.110 62.300 0.016 0.000 0.865 333 V CB 1.346 33.177 31.823 0.013 0.000 0.995 333 V HN 0.871 nan 8.190 nan 0.000 0.424 334 N N 2.841 121.556 118.700 0.024 0.000 3.441 334 N HA 0.814 5.555 4.740 0.001 0.000 0.313 334 N C -0.876 174.649 175.510 0.027 0.000 1.526 334 N CA 0.217 53.287 53.050 0.034 0.000 0.871 334 N CB 1.616 40.132 38.487 0.048 0.000 1.779 334 N HN 0.758 nan 8.380 nan 0.000 0.529 340 K N 1.663 122.092 120.400 0.049 0.000 2.400 340 K HA 0.864 5.184 4.320 0.001 0.000 0.246 340 K C -1.629 175.012 176.600 0.068 0.000 0.995 340 K CA -0.467 55.848 56.287 0.047 0.000 0.840 340 K CB 2.291 34.820 32.500 0.047 0.000 1.293 340 K HN 0.524 nan 8.250 nan 0.000 0.445 341 L N 1.126 122.389 121.223 0.066 0.000 2.329 341 L HA 0.671 5.012 4.340 0.001 0.000 0.279 341 L C -0.995 175.939 176.870 0.106 0.000 1.014 341 L CA -1.112 53.776 54.840 0.081 0.000 0.814 341 L CB 1.816 43.940 42.059 0.108 0.000 1.257 341 L HN 0.220 nan 8.230 nan 0.000 0.424 342 V N 2.974 122.818 119.914 -0.117 0.000 2.735 342 V HA 0.474 4.595 4.120 0.001 0.000 0.310 342 V C -0.377 175.423 176.094 -0.491 0.000 1.061 342 V CA -0.762 61.395 62.300 -0.239 0.000 0.913 342 V CB 2.521 34.172 31.823 -0.287 0.000 1.005 342 V HN 0.385 nan 8.190 nan 0.000 0.428 343 V N 3.842 123.540 119.914 -0.361 0.000 2.398 343 V HA 0.448 4.568 4.120 0.001 0.000 0.286 343 V C -0.114 175.907 176.094 -0.122 0.000 1.026 343 V CA -0.324 61.785 62.300 -0.319 0.000 0.868 343 V CB 1.447 32.968 31.823 -0.503 0.000 0.982 343 V HN 0.929 nan 8.190 nan 0.000 0.443 344 Q N 3.018 122.862 119.800 0.073 0.000 2.312 344 Q HA 0.797 5.137 4.340 0.001 0.000 0.263 344 Q C -0.903 175.228 176.000 0.219 0.000 0.995 344 Q CA -0.581 55.342 55.803 0.200 0.000 0.853 344 Q CB 2.193 31.159 28.738 0.380 0.000 1.300 344 Q HN 0.876 nan 8.270 nan 0.000 0.448 345 A N 1.830 124.752 122.820 0.169 0.000 2.435 345 A HA 0.926 5.247 4.320 0.001 0.000 0.304 345 A C -0.868 176.845 177.584 0.216 0.000 1.064 345 A CA -0.207 51.896 52.037 0.110 0.000 0.727 345 A CB 2.005 21.055 19.000 0.083 0.000 1.284 345 A HN 0.730 nan 8.150 nan 0.000 0.415 346 G N 0.223 109.134 108.800 0.186 0.000 2.667 346 G HA2 0.566 4.527 3.960 0.001 0.000 0.298 346 G HA3 0.566 4.527 3.960 0.001 0.000 0.298 346 G C -1.296 173.612 174.900 0.012 0.000 1.377 346 G CA -0.601 44.595 45.100 0.160 0.000 0.964 346 G HN 0.669 nan 8.290 nan 0.000 0.493 347 L N 1.173 122.270 121.223 -0.211 0.000 2.276 347 L HA 0.558 4.898 4.340 0.001 0.000 0.286 347 L C -0.823 175.856 176.870 -0.318 0.000 1.061 347 L CA -0.458 54.229 54.840 -0.255 0.000 0.807 347 L CB 0.952 42.798 42.059 -0.355 0.000 1.177 347 L HN 0.366 nan 8.230 nan 0.000 0.429 348 F N 0.664 120.555 119.950 -0.100 0.000 2.563 348 F HA 0.332 4.860 4.527 0.001 0.000 0.316 348 F C -0.042 175.723 175.800 -0.059 0.000 1.076 348 F CA -0.729 57.228 58.000 -0.073 0.000 0.921 348 F CB 1.677 40.632 39.000 -0.074 0.000 1.209 348 F HN 0.376 nan 8.300 nan 0.000 0.462 349 H N 1.478 120.524 119.070 -0.039 0.000 2.675 349 H HA 0.530 5.087 4.556 0.001 0.000 0.258 349 H C 0.289 175.377 175.328 -0.401 0.000 1.271 349 H CA 0.325 56.246 56.048 -0.212 0.000 1.462 349 H CB 0.220 29.852 29.762 -0.216 0.000 1.467 349 H HN 0.830 nan 8.280 nan 0.000 0.501 350 G N 3.656 112.023 108.800 -0.721 0.000 2.509 350 G HA2 -0.400 3.561 3.960 0.001 0.000 0.259 350 G HA3 -0.400 3.561 3.960 0.001 0.000 0.259 350 G C 0.901 175.445 174.900 -0.594 0.000 1.169 350 G CA 0.269 44.610 45.100 -1.265 0.000 0.953 350 G HN 0.562 nan 8.290 nan 0.000 0.563 351 N N 1.460 119.891 118.700 -0.448 0.000 2.300 351 N HA 0.036 4.776 4.740 0.001 0.000 0.179 351 N C 0.770 176.344 175.510 0.106 0.000 1.016 351 N CA 1.193 54.194 53.050 -0.081 0.000 0.876 351 N CB -0.105 38.319 38.487 -0.104 0.000 0.979 351 N HN 0.583 nan 8.380 nan 0.000 0.432 352 E N 1.122 121.310 120.200 -0.020 0.000 2.344 352 E HA 0.117 4.468 4.350 0.001 0.000 0.270 352 E C 0.194 176.777 176.600 -0.028 0.000 1.021 352 E CA 0.088 56.487 56.400 -0.003 0.000 0.887 352 E CB 0.500 30.179 29.700 -0.035 0.000 0.997 352 E HN 0.170 nan 8.360 nan 0.000 0.429 353 M N 3.611 123.095 119.600 -0.192 0.000 2.243 353 M HA 0.100 4.581 4.480 0.001 0.000 0.341 353 M C 0.683 176.841 176.300 -0.236 0.000 1.130 353 M CA 0.060 55.071 55.300 -0.481 0.000 1.162 353 M CB 0.514 32.809 32.600 -0.508 0.000 1.497 353 M HN 0.466 nan 8.290 nan 0.000 0.456 354 L N 1.619 122.703 121.223 -0.231 0.000 2.529 354 L HA 0.151 4.492 4.340 0.001 0.000 0.223 354 L C 0.291 177.115 176.870 -0.077 0.000 1.113 354 L CA -0.131 54.645 54.840 -0.108 0.000 0.861 354 L CB -0.092 41.915 42.059 -0.086 0.000 1.012 354 L HN 0.980 nan 8.230 nan 0.000 0.461 355 C N -3.488 115.751 119.300 -0.101 0.000 3.211 355 C HA 0.303 4.763 4.460 0.001 0.000 0.350 355 C C -0.704 174.247 174.990 -0.065 0.000 1.413 355 C CA -1.862 57.130 59.018 -0.042 0.000 1.203 355 C CB 1.006 28.766 27.740 0.034 0.000 1.506 355 C HN 0.259 nan 8.230 nan 0.000 0.448 356 K N 0.920 121.303 120.400 -0.028 0.000 2.319 356 K HA 0.490 4.810 4.320 0.001 0.000 0.265 356 K C 0.259 176.855 176.600 -0.007 0.000 1.000 356 K CA 0.671 56.939 56.287 -0.032 0.000 0.943 356 K CB 0.199 32.687 32.500 -0.019 0.000 0.950 356 K HN 0.965 nan 8.250 nan 0.000 0.485 357 T N -1.367 113.183 114.554 -0.006 0.000 2.918 357 T HA 0.327 4.678 4.350 0.001 0.000 0.302 357 T C 0.288 174.992 174.700 0.006 0.000 1.045 357 T CA -0.872 61.254 62.100 0.042 0.000 1.114 357 T CB 0.895 69.809 68.868 0.078 0.000 0.965 357 T HN 0.581 nan 8.240 nan 0.000 0.540 358 V N -0.248 119.649 119.914 -0.028 0.000 2.604 358 V HA 0.789 4.910 4.120 0.001 0.000 0.305 358 V C -0.166 175.896 176.094 -0.053 0.000 1.043 358 V CA -0.858 61.373 62.300 -0.116 0.000 0.888 358 V CB 1.626 33.244 31.823 -0.342 0.000 0.995 358 V HN 1.014 nan 8.190 nan 0.000 0.429 359 S N 2.460 118.144 115.700 -0.026 0.000 2.690 359 S HA 0.644 5.114 4.470 0.001 0.000 0.291 359 S C 0.263 174.843 174.600 -0.034 0.000 1.138 359 S CA -0.449 57.759 58.200 0.013 0.000 1.013 359 S CB 1.753 64.996 63.200 0.071 0.000 1.053 359 S HN 0.969 nan 8.310 nan 0.000 0.539 360 S N 1.394 117.063 115.700 -0.052 0.000 2.624 360 S HA 0.386 4.856 4.470 0.001 0.000 0.263 360 S C 0.215 174.832 174.600 0.028 0.000 1.287 360 S CA -0.705 57.449 58.200 -0.076 0.000 0.990 360 S CB 0.443 63.530 63.200 -0.189 0.000 0.950 360 S HN 0.792 nan 8.310 nan 0.000 0.561 361 S N 1.194 116.948 115.700 0.090 0.000 2.580 361 S HA 0.310 4.780 4.470 0.001 0.000 0.274 361 S C -0.284 174.429 174.600 0.189 0.000 1.329 361 S CA -0.804 57.472 58.200 0.126 0.000 1.036 361 S CB 0.363 63.642 63.200 0.132 0.000 0.919 361 S HN 0.676 nan 8.310 nan 0.000 0.515 362 E N 0.796 121.073 120.200 0.128 0.000 2.376 362 E HA 0.348 4.699 4.350 0.001 0.000 0.266 362 E C -0.814 175.840 176.600 0.091 0.000 1.009 362 E CA -0.125 56.345 56.400 0.117 0.000 0.902 362 E CB 0.692 30.439 29.700 0.078 0.000 0.972 362 E HN 0.458 nan 8.360 nan 0.000 0.439 363 V N 3.421 123.374 119.914 0.065 0.000 2.925 363 V HA 0.166 4.287 4.120 0.001 0.000 0.311 363 V C -0.115 175.944 176.094 -0.058 0.000 1.104 363 V CA -1.351 60.916 62.300 -0.055 0.000 0.954 363 V CB 2.089 33.762 31.823 -0.250 0.000 1.022 363 V HN 0.634 nan 8.190 nan 0.000 0.427 364 N N 1.263 119.920 118.700 -0.072 0.000 2.395 364 N HA 0.051 4.792 4.740 0.001 0.000 0.246 364 N C 1.218 176.689 175.510 -0.065 0.000 1.246 364 N CA -0.057 52.961 53.050 -0.053 0.000 0.879 364 N CB 1.478 39.933 38.487 -0.053 0.000 1.098 364 N HN 0.469 nan 8.380 nan 0.000 0.444 365 V N 0.650 120.545 119.914 -0.032 0.000 2.469 365 V HA -0.203 3.918 4.120 0.001 0.000 0.251 365 V C 1.395 177.462 176.094 -0.045 0.000 1.064 365 V CA 0.841 63.127 62.300 -0.024 0.000 1.066 365 V CB -0.183 31.641 31.823 0.002 0.000 0.667 365 V HN 0.786 nan 8.190 nan 0.000 0.461 366 C N 1.815 121.084 119.300 -0.052 0.000 2.616 366 C HA 0.384 4.844 4.460 0.001 0.000 0.402 366 C C 0.751 175.687 174.990 -0.090 0.000 1.436 366 C CA 0.427 59.410 59.018 -0.059 0.000 1.521 366 C CB -2.087 25.621 27.740 -0.054 0.000 2.413 366 C HN 0.622 nan 8.230 nan 0.000 0.617 367 S N 2.516 118.168 115.700 -0.080 0.000 2.686 367 S HA 0.258 4.728 4.470 0.001 0.000 0.273 367 S C -0.698 173.861 174.600 -0.068 0.000 1.060 367 S CA -0.667 57.470 58.200 -0.105 0.000 0.845 367 S CB 0.711 63.817 63.200 -0.157 0.000 1.086 367 S HN 0.833 nan 8.310 nan 0.000 0.461 368 E N 1.298 121.458 120.200 -0.066 0.000 2.197 368 E HA -0.148 4.202 4.350 0.001 0.000 0.184 368 E C -2.477 174.029 176.600 -0.157 0.000 1.439 368 E CA 0.493 56.840 56.400 -0.087 0.000 0.688 368 E CB -0.693 28.964 29.700 -0.071 0.000 1.090 368 E HN 0.210 nan 8.360 nan 0.000 0.341 369 P HA 0.163 nan 4.420 nan 0.000 0.274 369 P C -0.559 176.436 177.300 -0.509 0.000 1.231 369 P CA -0.275 62.526 63.100 -0.498 0.000 0.790 369 P CB 1.196 32.445 31.700 -0.751 0.000 0.951 370 V N -0.933 118.582 119.914 -0.665 0.000 2.638 370 V HA 0.490 4.611 4.120 0.001 0.000 0.306 370 V C -0.053 175.757 176.094 -0.473 0.000 1.052 370 V CA -0.575 61.491 62.300 -0.390 0.000 0.885 370 V CB 2.396 34.089 31.823 -0.218 0.000 0.999 370 V HN 0.649 nan 8.190 nan 0.000 0.424 371 W N 1.055 122.334 121.300 -0.036 0.000 4.359 371 W HA 0.260 4.920 4.660 0.001 0.000 0.200 371 W C 0.985 177.486 176.519 -0.029 0.000 1.068 371 W CA 0.249 57.575 57.345 -0.031 0.000 1.787 371 W CB 0.242 29.685 29.460 -0.028 0.000 0.717 371 W HN 0.792 nan 8.180 nan 0.000 0.930 372 K N 1.320 121.846 120.400 0.209 0.000 3.012 372 K HA -0.227 4.094 4.320 0.001 0.000 0.259 372 K C 0.010 176.658 176.600 0.081 0.000 0.989 372 K CA 0.684 57.029 56.287 0.096 0.000 0.728 372 K CB -1.277 31.246 32.500 0.039 0.000 1.260 372 K HN 0.039 nan 8.250 nan 0.000 0.480 373 Q N 0.725 120.590 119.800 0.108 0.000 2.301 373 Q HA 0.339 4.680 4.340 0.001 0.000 0.267 373 Q C -0.023 175.989 176.000 0.021 0.000 1.035 373 Q CA -0.758 55.080 55.803 0.059 0.000 0.856 373 Q CB 1.471 30.254 28.738 0.074 0.000 1.337 373 Q HN 0.069 nan 8.270 nan 0.000 0.450 374 R N 1.938 122.437 120.500 -0.002 0.000 2.202 374 R HA 0.400 4.741 4.340 0.001 0.000 0.334 374 R C -0.312 175.958 176.300 -0.050 0.000 1.036 374 R CA -0.374 55.715 56.100 -0.019 0.000 0.878 374 R CB -0.123 30.160 30.300 -0.028 0.000 1.067 374 R HN 0.465 nan 8.270 nan 0.000 0.457 375 L N 2.528 123.718 121.223 -0.055 0.000 2.260 375 L HA 0.296 4.637 4.340 0.001 0.000 0.289 375 L C 0.840 177.591 176.870 -0.197 0.000 1.057 375 L CA -0.135 54.611 54.840 -0.156 0.000 0.811 375 L CB 0.810 42.788 42.059 -0.135 0.000 1.184 375 L HN 0.425 nan 8.230 nan 0.000 0.429 376 E N 3.329 123.381 120.200 -0.248 0.000 2.191 376 E HA 0.408 4.758 4.350 0.001 0.000 0.278 376 E C -1.421 175.015 176.600 -0.275 0.000 0.972 376 E CA -0.694 55.614 56.400 -0.154 0.000 0.804 376 E CB 1.178 30.831 29.700 -0.079 0.000 1.110 376 E HN 0.284 nan 8.360 nan 0.000 0.394 377 F N 2.085 122.065 119.950 0.049 0.000 2.443 377 F HA 0.126 4.654 4.527 0.001 0.000 0.335 377 F C 0.605 176.446 175.800 0.069 0.000 1.104 377 F CA -0.858 57.197 58.000 0.091 0.000 1.013 377 F CB 1.234 40.361 39.000 0.210 0.000 1.136 377 F HN 0.407 nan 8.300 nan 0.000 0.470 378 D N 4.579 125.088 120.400 0.182 0.000 2.671 378 D HA 0.264 4.905 4.640 0.001 0.000 0.228 378 D C -0.750 175.617 176.300 0.112 0.000 1.102 378 D CA 0.621 54.683 54.000 0.102 0.000 1.044 378 D CB -0.439 40.389 40.800 0.047 0.000 1.113 378 D HN 0.483 nan 8.370 nan 0.000 0.480 379 I N 0.225 120.877 120.570 0.137 0.000 2.739 379 I HA 0.091 4.261 4.170 0.001 0.000 0.288 379 I C -1.156 175.035 176.117 0.123 0.000 1.582 379 I CA -0.486 60.880 61.300 0.109 0.000 1.035 379 I CB 1.536 39.589 38.000 0.088 0.000 1.432 379 I HN -0.035 nan 8.210 nan 0.000 0.444 380 S N 4.188 119.941 115.700 0.088 0.000 2.533 380 S HA 0.202 4.672 4.470 0.001 0.000 0.282 380 S C 1.131 175.782 174.600 0.085 0.000 1.304 380 S CA -0.248 57.998 58.200 0.075 0.000 1.063 380 S CB 1.280 64.506 63.200 0.044 0.000 0.881 380 S HN 0.475 nan 8.310 nan 0.000 0.493 381 V N 5.097 125.073 119.914 0.104 0.000 2.380 381 V HA -0.225 3.895 4.120 0.001 0.000 0.251 381 V C 2.605 178.737 176.094 0.064 0.000 1.063 381 V CA 2.211 64.582 62.300 0.118 0.000 1.055 381 V CB -1.248 30.666 31.823 0.152 0.000 0.657 381 V HN 1.143 nan 8.190 nan 0.000 0.455 382 C N -0.688 118.613 119.300 0.001 0.000 2.485 382 C HA -0.055 4.405 4.460 0.001 0.000 0.283 382 C C 1.737 176.660 174.990 -0.111 0.000 1.478 382 C CA 0.453 59.419 59.018 -0.087 0.000 1.741 382 C CB -1.451 26.164 27.740 -0.208 0.000 1.675 382 C HN 0.570 nan 8.230 nan 0.000 0.573 383 D N 0.425 120.849 120.400 0.040 0.000 2.392 383 D HA 0.210 4.850 4.640 0.001 0.000 0.206 383 D C 0.675 177.077 176.300 0.171 0.000 1.046 383 D CA 0.078 54.166 54.000 0.146 0.000 0.865 383 D CB -0.014 40.879 40.800 0.154 0.000 0.969 383 D HN 0.524 nan 8.370 nan 0.000 0.509 384 L N 4.171 125.485 121.223 0.153 0.000 2.660 384 L HA 0.040 4.380 4.340 0.001 0.000 0.272 384 L C -1.862 175.238 176.870 0.384 0.000 1.194 384 L CA -0.806 54.142 54.840 0.180 0.000 0.945 384 L CB -0.274 41.844 42.059 0.099 0.000 1.212 384 L HN -0.145 nan 8.230 nan 0.000 0.490 385 P HA 0.035 nan 4.420 nan 0.000 0.272 385 P C 0.286 177.705 177.300 0.198 0.000 1.230 385 P CA -0.599 62.680 63.100 0.299 0.000 0.788 385 P CB 0.748 32.470 31.700 0.036 0.000 0.949 386 R N 2.085 122.378 120.500 -0.345 0.000 2.153 386 R HA -0.135 4.206 4.340 0.001 0.000 0.252 386 R C 1.482 177.664 176.300 -0.196 0.000 1.158 386 R CA 2.054 57.554 56.100 -1.000 0.000 0.975 386 R CB -0.676 28.855 30.300 -1.282 0.000 0.871 386 R HN 0.402 nan 8.270 nan 0.000 0.450 387 M N 0.285 119.913 119.600 0.047 0.000 2.655 387 M HA 0.346 4.827 4.480 0.001 0.000 0.311 387 M C -0.114 176.284 176.300 0.164 0.000 1.229 387 M CA -0.308 55.054 55.300 0.104 0.000 0.972 387 M CB -0.094 32.489 32.600 -0.027 0.000 1.366 387 M HN 0.134 nan 8.290 nan 0.000 0.500 388 A N 1.912 124.869 122.820 0.228 0.000 2.566 388 A HA 0.169 4.489 4.320 0.001 0.000 0.245 388 A C 0.360 177.974 177.584 0.050 0.000 1.056 388 A CA 0.400 52.515 52.037 0.131 0.000 0.757 388 A CB -0.031 19.002 19.000 0.055 0.000 0.979 388 A HN 0.595 nan 8.150 nan 0.000 0.508 389 R N 2.398 122.912 120.500 0.023 0.000 2.393 389 R HA 0.494 4.834 4.340 0.001 0.000 0.315 389 R C -1.346 174.950 176.300 -0.008 0.000 0.952 389 R CA -0.740 55.371 56.100 0.018 0.000 0.842 389 R CB 0.948 31.278 30.300 0.049 0.000 1.163 389 R HN 0.658 nan 8.270 nan 0.000 0.450 390 L N 5.289 126.478 121.223 -0.057 0.000 2.275 390 L HA 0.470 4.810 4.340 0.001 0.000 0.288 390 L C -1.375 175.421 176.870 -0.123 0.000 1.046 390 L CA -0.310 54.438 54.840 -0.154 0.000 0.805 390 L CB 1.166 43.109 42.059 -0.193 0.000 1.193 390 L HN 0.682 nan 8.230 nan 0.000 0.426 391 C N 4.934 124.124 119.300 -0.183 0.000 2.455 391 C HA 0.675 5.136 4.460 0.001 0.000 0.320 391 C C -0.560 174.285 174.990 -0.242 0.000 1.226 391 C CA -0.732 58.242 59.018 -0.074 0.000 1.569 391 C CB 0.809 28.570 27.740 0.036 0.000 2.200 391 C HN 0.702 nan 8.230 nan 0.000 0.491 392 F N 1.575 121.656 119.950 0.218 0.000 2.532 392 F HA 0.703 5.231 4.527 0.001 0.000 0.321 392 F C 0.356 176.302 175.800 0.243 0.000 1.089 392 F CA -0.403 57.714 58.000 0.194 0.000 0.926 392 F CB 1.456 40.531 39.000 0.124 0.000 1.168 392 F HN 0.687 nan 8.300 nan 0.000 0.459 393 A N 3.145 126.215 122.820 0.417 0.000 2.374 393 A HA 0.782 5.102 4.320 0.001 0.000 0.305 393 A C -1.997 175.767 177.584 0.300 0.000 1.053 393 A CA -0.634 51.646 52.037 0.405 0.000 0.726 393 A CB 1.437 20.688 19.000 0.418 0.000 1.229 393 A HN 0.731 nan 8.150 nan 0.000 0.431 394 L N 3.551 124.920 121.223 0.243 0.000 2.313 394 L HA 0.866 5.206 4.340 0.001 0.000 0.283 394 L C -1.008 175.966 176.870 0.173 0.000 1.013 394 L CA -0.289 54.592 54.840 0.067 0.000 0.816 394 L CB 0.807 42.909 42.059 0.071 0.000 1.236 394 L HN 0.750 nan 8.230 nan 0.000 0.419 395 Y N 2.910 123.293 120.300 0.138 0.000 2.677 395 Y HA 0.956 5.507 4.550 0.001 0.000 0.334 395 Y C -0.765 175.205 175.900 0.116 0.000 1.154 395 Y CA -1.029 57.143 58.100 0.120 0.000 1.070 395 Y CB 0.786 39.310 38.460 0.107 0.000 1.294 395 Y HN 0.707 nan 8.280 nan 0.000 0.475 396 A N 0.689 123.696 122.820 0.312 0.000 2.354 396 A HA 0.901 5.221 4.320 0.001 0.000 0.321 396 A C -1.410 176.324 177.584 0.249 0.000 1.125 396 A CA -0.782 51.380 52.037 0.208 0.000 0.799 396 A CB 1.759 20.841 19.000 0.137 0.000 1.293 396 A HN 1.232 nan 8.150 nan 0.000 0.452 397 V N 0.933 120.955 119.914 0.179 0.000 3.204 397 V HA 0.479 4.599 4.120 0.001 0.000 0.298 397 V C -0.312 175.843 176.094 0.101 0.000 1.328 397 V CA -0.490 61.902 62.300 0.153 0.000 1.035 397 V CB 2.238 34.181 31.823 0.200 0.000 1.095 397 V HN 1.008 nan 8.190 nan 0.000 0.442 416 C N 3.297 122.649 119.300 0.087 0.000 2.356 416 C HA 0.668 5.129 4.460 0.001 0.000 0.324 416 C C -2.713 172.375 174.990 0.163 0.000 1.167 416 C CA -1.700 57.380 59.018 0.104 0.000 1.420 416 C CB 0.121 27.922 27.740 0.101 0.000 2.036 416 C HN 0.287 nan 8.230 nan 0.000 0.435 417 P HA 0.443 nan 4.420 nan 0.000 0.284 417 P C 0.040 177.456 177.300 0.193 0.000 1.253 417 P CA -0.156 63.062 63.100 0.198 0.000 0.800 417 P CB 1.144 32.927 31.700 0.139 0.000 0.961 418 I N 1.438 122.143 120.570 0.225 0.000 3.366 418 I HA 0.412 4.582 4.170 0.001 0.000 0.267 418 I C 0.737 176.963 176.117 0.181 0.000 1.149 418 I CA 0.696 62.100 61.300 0.174 0.000 1.436 418 I CB 0.032 38.118 38.000 0.145 0.000 1.379 418 I HN 0.389 nan 8.210 nan 0.000 0.460 419 A N -0.553 122.398 122.820 0.218 0.000 2.599 419 A HA 0.665 4.986 4.320 0.001 0.000 0.290 419 A C -2.081 175.694 177.584 0.319 0.000 1.101 419 A CA -0.606 51.549 52.037 0.197 0.000 0.674 419 A CB 0.852 19.889 19.000 0.062 0.000 1.277 419 A HN 0.246 nan 8.150 nan 0.000 0.419 420 W N -1.111 120.307 121.300 0.196 0.000 3.047 420 W HA 0.857 5.517 4.660 0.001 0.000 0.341 420 W C -0.756 175.922 176.519 0.265 0.000 1.225 420 W CA -0.731 56.739 57.345 0.208 0.000 1.150 420 W CB 1.319 30.873 29.460 0.158 0.000 1.470 420 W HN 1.808 nan 8.180 nan 0.000 0.578 421 A N 2.244 125.387 122.820 0.539 0.000 2.577 421 A HA 0.571 4.892 4.320 0.001 0.000 0.297 421 A C -1.689 176.218 177.584 0.539 0.000 1.060 421 A CA -0.801 51.469 52.037 0.388 0.000 0.697 421 A CB 1.471 20.566 19.000 0.158 0.000 1.281 421 A HN 0.578 nan 8.150 nan 0.000 0.402 422 N N 1.081 120.057 118.700 0.460 0.000 2.292 422 N HA 0.802 5.542 4.740 0.001 0.000 0.303 422 N C -1.062 174.594 175.510 0.244 0.000 1.140 422 N CA -0.522 52.725 53.050 0.329 0.000 0.788 422 N CB 2.303 40.939 38.487 0.249 0.000 1.361 422 N HN 0.842 nan 8.380 nan 0.000 0.489 423 L N -1.762 119.575 121.223 0.189 0.000 2.465 423 L HA 0.615 4.956 4.340 0.001 0.000 0.257 423 L C -0.691 176.222 176.870 0.072 0.000 0.988 423 L CA -0.807 54.111 54.840 0.130 0.000 0.827 423 L CB 0.787 42.936 42.059 0.151 0.000 1.397 423 L HN 0.264 nan 8.230 nan 0.000 0.410 424 M N 2.342 121.972 119.600 0.050 0.000 2.238 424 M HA 0.292 4.773 4.480 0.001 0.000 0.347 424 M C 1.226 177.569 176.300 0.072 0.000 1.173 424 M CA -0.077 55.258 55.300 0.059 0.000 1.147 424 M CB 0.915 33.554 32.600 0.066 0.000 1.547 424 M HN 0.721 nan 8.290 nan 0.000 0.455 425 L N 1.286 122.518 121.223 0.015 0.000 2.418 425 L HA 0.098 4.439 4.340 0.001 0.000 0.218 425 L C -0.031 176.663 176.870 -0.295 0.000 1.125 425 L CA 0.551 55.288 54.840 -0.172 0.000 0.835 425 L CB -0.020 41.809 42.059 -0.383 0.000 0.953 425 L HN 0.444 nan 8.230 nan 0.000 0.454 426 F N 0.010 120.031 119.950 0.117 0.000 2.480 426 F HA 0.233 4.760 4.527 0.001 0.000 0.329 426 F C 0.564 176.505 175.800 0.236 0.000 1.091 426 F CA -1.739 56.349 58.000 0.146 0.000 0.972 426 F CB 0.899 39.981 39.000 0.138 0.000 1.150 426 F HN -0.055 nan 8.300 nan 0.000 0.467 427 D N 0.771 121.385 120.400 0.356 0.000 2.356 427 D HA -0.066 4.575 4.640 0.001 0.000 0.258 427 D C 0.886 177.309 176.300 0.205 0.000 1.279 427 D CA -0.182 54.033 54.000 0.359 0.000 1.016 427 D CB -0.068 40.893 40.800 0.268 0.000 1.107 427 D HN 0.611 nan 8.370 nan 0.000 0.544 428 Y N -2.169 118.110 120.300 -0.034 0.000 2.509 428 Y HA 0.201 4.752 4.550 0.001 0.000 0.293 428 Y C 1.162 176.915 175.900 -0.245 0.000 1.133 428 Y CA 0.535 58.387 58.100 -0.414 0.000 1.283 428 Y CB -0.256 38.116 38.460 -0.147 0.000 1.001 428 Y HN 0.040 nan 8.280 nan 0.000 0.555 429 K N 0.814 120.901 120.400 -0.522 0.000 2.446 429 K HA 0.039 4.360 4.320 0.001 0.000 0.203 429 K C -0.363 176.226 176.600 -0.018 0.000 1.027 429 K CA 0.682 56.750 56.287 -0.365 0.000 1.166 429 K CB -0.195 32.080 32.500 -0.375 0.000 0.869 429 K HN 0.447 nan 8.250 nan 0.000 0.504 430 D N -0.161 120.237 120.400 -0.004 0.000 2.911 430 D HA -0.195 4.445 4.640 0.001 0.000 0.199 430 D C 0.188 176.697 176.300 0.348 0.000 1.041 430 D CA 0.867 54.939 54.000 0.119 0.000 1.013 430 D CB -0.683 40.194 40.800 0.129 0.000 1.093 430 D HN 0.332 nan 8.370 nan 0.000 0.431 431 Q N 0.451 120.410 119.800 0.264 0.000 2.261 431 Q HA 0.361 4.701 4.340 0.001 0.000 0.252 431 Q C -0.035 176.101 176.000 0.226 0.000 0.915 431 Q CA -0.666 55.164 55.803 0.045 0.000 0.915 431 Q CB 1.258 29.818 28.738 -0.296 0.000 1.204 431 Q HN 0.229 nan 8.270 nan 0.000 0.421 432 L N 3.586 124.906 121.223 0.161 0.000 2.483 432 L HA 0.090 4.430 4.340 0.001 0.000 0.275 432 L C -0.509 176.283 176.870 -0.131 0.000 1.220 432 L CA 0.862 55.591 54.840 -0.185 0.000 0.833 432 L CB 0.462 42.393 42.059 -0.214 0.000 1.102 432 L HN 0.485 nan 8.230 nan 0.000 0.490 433 K N 2.254 122.563 120.400 -0.152 0.000 2.156 433 K HA 0.601 4.922 4.320 0.001 0.000 0.271 433 K C -0.642 175.909 176.600 -0.081 0.000 0.995 433 K CA -0.320 55.923 56.287 -0.073 0.000 0.890 433 K CB 1.261 33.739 32.500 -0.035 0.000 1.073 433 K HN 0.850 nan 8.250 nan 0.000 0.454 434 T N -1.554 112.943 114.554 -0.095 0.000 2.885 434 T HA 0.471 4.821 4.350 0.001 0.000 0.322 434 T C 0.249 174.850 174.700 -0.164 0.000 1.387 434 T CA -0.752 61.250 62.100 -0.163 0.000 1.041 434 T CB 1.732 70.523 68.868 -0.128 0.000 1.287 434 T HN 0.539 nan 8.240 nan 0.000 0.491 435 G N 0.381 109.015 108.800 -0.275 0.000 2.732 435 G HA2 0.319 4.280 3.960 0.001 0.000 0.206 435 G HA3 0.319 4.280 3.960 0.001 0.000 0.206 435 G C 0.027 174.416 174.900 -0.852 0.000 1.253 435 G CA -0.158 44.537 45.100 -0.675 0.000 0.796 435 G HN 0.916 nan 8.290 nan 0.000 0.616 436 E N 0.677 120.569 120.200 -0.513 0.000 2.259 436 E HA 0.545 4.896 4.350 0.001 0.000 0.281 436 E C -0.710 175.851 176.600 -0.065 0.000 1.027 436 E CA -0.505 55.814 56.400 -0.134 0.000 0.838 436 E CB 0.809 30.615 29.700 0.176 0.000 1.066 436 E HN -0.021 nan 8.360 nan 0.000 0.401 437 R N 2.267 122.742 120.500 -0.042 0.000 2.740 437 R HA 0.419 4.760 4.340 0.001 0.000 0.282 437 R C -1.518 174.736 176.300 -0.076 0.000 0.969 437 R CA -0.509 55.566 56.100 -0.040 0.000 0.918 437 R CB 1.845 32.130 30.300 -0.025 0.000 1.175 437 R HN 0.550 nan 8.270 nan 0.000 0.464 438 C N 5.338 124.569 119.300 -0.114 0.000 2.322 438 C HA 0.595 5.055 4.460 0.001 0.000 0.324 438 C C -1.067 173.695 174.990 -0.380 0.000 1.249 438 C CA -0.765 58.102 59.018 -0.252 0.000 1.453 438 C CB -0.633 26.947 27.740 -0.266 0.000 2.145 438 C HN 0.711 nan 8.230 nan 0.000 0.466 439 L N 6.903 127.886 121.223 -0.400 0.000 2.277 439 L HA 0.391 4.731 4.340 0.001 0.000 0.284 439 L C -0.897 175.727 176.870 -0.410 0.000 1.028 439 L CA -0.448 54.206 54.840 -0.310 0.000 0.835 439 L CB 0.423 42.360 42.059 -0.202 0.000 1.215 439 L HN 0.619 nan 8.230 nan 0.000 0.425 440 Y N 3.583 123.773 120.300 -0.184 0.000 2.486 440 Y HA 0.313 4.865 4.550 0.002 0.000 0.348 440 Y C 0.638 176.275 175.900 -0.437 0.000 1.000 440 Y CA -0.188 57.745 58.100 -0.278 0.000 1.253 440 Y CB 0.471 38.753 38.460 -0.296 0.000 1.140 440 Y HN 0.500 nan 8.280 nan 0.000 0.526 441 M N 2.707 122.141 119.600 -0.275 0.000 2.342 441 M HA 0.283 4.763 4.480 0.001 0.000 0.332 441 M C -0.991 174.995 176.300 -0.523 0.000 1.166 441 M CA -0.456 54.628 55.300 -0.361 0.000 1.086 441 M CB 1.058 33.550 32.600 -0.181 0.000 1.541 441 M HN 0.555 nan 8.290 nan 0.000 0.462 442 W N 1.457 122.390 121.300 -0.612 0.000 2.438 442 W HA 0.449 5.109 4.660 0.000 0.000 0.324 442 W C -2.242 174.051 176.519 -0.377 0.000 1.119 442 W CA -1.709 55.288 57.345 -0.580 0.000 1.221 442 W CB -0.209 28.683 29.460 -0.947 0.000 1.253 442 W HN 0.298 nan 8.180 nan 0.000 0.555 443 P HA 0.011 nan 4.420 nan 0.000 0.268 443 P C -0.446 177.036 177.300 0.303 0.000 1.208 443 P CA 0.163 63.360 63.100 0.162 0.000 0.777 443 P CB 0.574 32.361 31.700 0.145 0.000 0.875 444 S N 1.526 117.396 115.700 0.283 0.000 2.448 444 S HA 0.301 4.772 4.470 0.001 0.000 0.320 444 S C -0.016 174.698 174.600 0.189 0.000 1.071 444 S CA -0.570 57.822 58.200 0.320 0.000 1.113 444 S CB 0.330 63.715 63.200 0.308 0.000 0.972 444 S HN 0.517 nan 8.310 nan 0.000 0.465 453 L N 2.392 123.620 121.223 0.009 0.000 2.416 453 L HA 0.491 4.831 4.340 0.001 0.000 0.272 453 L C 0.090 176.812 176.870 -0.247 0.000 1.161 453 L CA 0.510 55.328 54.840 -0.037 0.000 0.845 453 L CB 0.933 43.025 42.059 0.055 0.000 1.119 453 L HN 0.691 nan 8.230 nan 0.000 0.464 454 N N 4.269 122.751 118.700 -0.362 0.000 2.813 454 N HA 0.300 5.041 4.740 0.001 0.000 0.282 454 N C -1.881 173.287 175.510 -0.569 0.000 1.748 454 N CA -1.552 51.147 53.050 -0.586 0.000 0.860 454 N CB 0.895 38.740 38.487 -1.069 0.000 1.204 454 N HN 0.180 nan 8.380 nan 0.000 0.490 455 P HA -0.082 nan 4.420 nan 0.000 0.218 455 P C 0.772 177.893 177.300 -0.297 0.000 1.148 455 P CA 0.864 63.641 63.100 -0.537 0.000 0.822 455 P CB 0.291 31.552 31.700 -0.731 0.000 0.784 456 A N -0.404 122.146 122.820 -0.449 0.000 2.169 456 A HA 0.273 4.593 4.320 0.001 0.000 0.212 456 A C 1.500 178.763 177.584 -0.535 0.000 1.153 456 A CA 0.515 52.109 52.037 -0.738 0.000 0.756 456 A CB -1.290 17.318 19.000 -0.653 0.000 0.813 456 A HN 0.278 nan 8.150 nan 0.000 0.471 457 G N -0.497 107.995 108.800 -0.512 0.000 2.554 457 G HA2 0.341 4.301 3.960 0.001 0.000 0.238 457 G HA3 0.341 4.301 3.960 0.001 0.000 0.238 457 G C 0.354 175.190 174.900 -0.107 0.000 1.259 457 G CA 0.559 45.407 45.100 -0.420 0.000 0.843 457 G HN 0.222 nan 8.290 nan 0.000 0.582 458 T N -1.103 113.423 114.554 -0.047 0.000 2.856 458 T HA 0.075 4.426 4.350 0.001 0.000 0.329 458 T C 1.458 176.219 174.700 0.101 0.000 1.094 458 T CA 0.546 62.625 62.100 -0.035 0.000 1.112 458 T CB 0.468 69.265 68.868 -0.118 0.000 1.009 458 T HN 1.086 nan 8.240 nan 0.000 0.550 459 V N 1.992 121.939 119.914 0.054 0.000 3.177 459 V HA 0.512 4.633 4.120 0.001 0.000 0.342 459 V C 0.593 176.752 176.094 0.107 0.000 1.379 459 V CA -0.385 61.966 62.300 0.085 0.000 1.191 459 V CB -0.747 31.073 31.823 -0.005 0.000 1.167 459 V HN 0.666 nan 8.190 nan 0.000 0.471 460 R N 0.446 121.036 120.500 0.150 0.000 2.732 460 R HA 0.717 5.057 4.340 0.001 0.000 0.278 460 R C 0.617 177.097 176.300 0.301 0.000 0.976 460 R CA 0.056 56.258 56.100 0.171 0.000 0.963 460 R CB 1.740 32.116 30.300 0.126 0.000 1.150 460 R HN 0.487 nan 8.270 nan 0.000 0.478 461 G N 1.459 110.365 108.800 0.175 0.000 2.539 461 G HA2 -0.008 3.953 3.960 0.001 0.000 0.258 461 G HA3 -0.008 3.953 3.960 0.001 0.000 0.258 461 G C -0.530 174.240 174.900 -0.217 0.000 1.202 461 G CA -0.496 44.632 45.100 0.046 0.000 0.851 461 G HN 0.617 nan 8.290 nan 0.000 0.556 462 N N 1.329 119.490 118.700 -0.899 0.000 2.411 462 N HA 0.047 4.788 4.740 0.001 0.000 0.265 462 N C -0.841 174.285 175.510 -0.640 0.000 1.266 462 N CA -1.677 50.532 53.050 -1.402 0.000 0.889 462 N CB 1.489 39.091 38.487 -1.474 0.000 1.069 462 N HN 0.113 nan 8.380 nan 0.000 0.476 463 P HA -0.092 nan 4.420 nan 0.000 0.221 463 P C 0.140 177.255 177.300 -0.309 0.000 1.150 463 P CA 0.634 63.558 63.100 -0.293 0.000 0.800 463 P CB 0.179 31.788 31.700 -0.151 0.000 0.787 464 N N 1.178 119.691 118.700 -0.312 0.000 2.971 464 N HA -0.013 4.727 4.740 0.001 0.000 0.294 464 N C 1.009 176.346 175.510 -0.288 0.000 1.210 464 N CA 0.323 53.226 53.050 -0.245 0.000 1.157 464 N CB -0.509 37.869 38.487 -0.181 0.000 1.450 464 N HN 0.090 nan 8.380 nan 0.000 0.527 465 T N -1.839 112.490 114.554 -0.376 0.000 3.023 465 T HA -0.083 4.267 4.350 0.001 0.000 0.266 465 T C 1.344 175.907 174.700 -0.228 0.000 1.093 465 T CA 0.649 62.447 62.100 -0.503 0.000 1.129 465 T CB -0.031 68.272 68.868 -0.943 0.000 0.899 465 T HN 0.491 nan 8.240 nan 0.000 0.491 466 E N 0.860 120.961 120.200 -0.166 0.000 2.085 466 E HA -0.154 4.196 4.350 0.001 0.000 0.194 466 E C 2.041 178.606 176.600 -0.058 0.000 0.994 466 E CA 1.388 57.735 56.400 -0.088 0.000 0.801 466 E CB -0.270 29.384 29.700 -0.076 0.000 0.743 466 E HN 0.547 nan 8.360 nan 0.000 0.453 467 S N -1.033 114.623 115.700 -0.073 0.000 2.520 467 S HA 0.350 4.820 4.470 0.001 0.000 0.219 467 S C 0.276 174.846 174.600 -0.049 0.000 1.028 467 S CA 0.169 58.339 58.200 -0.050 0.000 0.921 467 S CB 0.454 63.624 63.200 -0.050 0.000 0.844 467 S HN 0.413 nan 8.310 nan 0.000 0.495 468 A N 1.744 124.521 122.820 -0.071 0.000 2.440 468 A HA 0.712 5.033 4.320 0.001 0.000 0.251 468 A C 0.479 178.060 177.584 -0.006 0.000 1.089 468 A CA -0.005 51.989 52.037 -0.072 0.000 0.779 468 A CB 0.061 18.974 19.000 -0.144 0.000 1.022 468 A HN 0.597 nan 8.150 nan 0.000 0.492 469 A N 1.545 124.344 122.820 -0.035 0.000 2.462 469 A HA 0.547 4.868 4.320 0.001 0.000 0.243 469 A C 0.550 178.097 177.584 -0.062 0.000 1.076 469 A CA 0.492 52.513 52.037 -0.027 0.000 0.773 469 A CB -0.074 18.915 19.000 -0.018 0.000 1.010 469 A HN 2.244 nan 8.150 nan 0.000 0.493 470 A N 2.411 125.178 122.820 -0.088 0.000 2.393 470 A HA 0.681 5.002 4.320 0.001 0.000 0.306 470 A C -0.725 176.746 177.584 -0.188 0.000 1.050 470 A CA -0.459 51.441 52.037 -0.228 0.000 0.724 470 A CB 0.967 19.745 19.000 -0.370 0.000 1.248 470 A HN 0.807 nan 8.150 nan 0.000 0.424 471 L N 2.355 123.430 121.223 -0.246 0.000 2.317 471 L HA 0.567 4.908 4.340 0.001 0.000 0.281 471 L C -0.781 175.947 176.870 -0.236 0.000 1.024 471 L CA -0.978 53.736 54.840 -0.210 0.000 0.810 471 L CB 1.962 43.832 42.059 -0.316 0.000 1.240 471 L HN 0.465 nan 8.230 nan 0.000 0.427 472 V N 4.681 124.511 119.914 -0.139 0.000 2.398 472 V HA 0.494 4.615 4.120 0.001 0.000 0.286 472 V C 0.107 176.156 176.094 -0.076 0.000 1.026 472 V CA -0.393 61.845 62.300 -0.102 0.000 0.868 472 V CB 1.558 33.356 31.823 -0.042 0.000 0.982 472 V HN 0.624 nan 8.190 nan 0.000 0.443 473 I N 1.741 122.273 120.570 -0.064 0.000 3.322 473 I HA 0.725 4.895 4.170 0.001 0.000 0.313 473 I C -1.627 174.562 176.117 0.120 0.000 1.129 473 I CA -1.209 60.089 61.300 -0.003 0.000 0.963 473 I CB 2.573 40.532 38.000 -0.069 0.000 1.273 473 I HN 0.493 nan 8.210 nan 0.000 0.473 474 Y N 2.203 122.502 120.300 -0.002 0.000 2.317 474 Y HA 0.592 5.142 4.550 0.001 0.000 0.325 474 Y C -1.533 174.369 175.900 0.003 0.000 1.066 474 Y CA -0.605 57.496 58.100 0.002 0.000 1.203 474 Y CB 1.460 39.916 38.460 -0.007 0.000 1.127 474 Y HN 0.517 nan 8.280 nan 0.000 0.451 475 L N 8.761 129.852 121.223 -0.220 0.000 2.360 475 L HA 0.394 4.735 4.340 0.001 0.000 0.276 475 L C -2.258 174.467 176.870 -0.241 0.000 1.121 475 L CA -1.466 53.284 54.840 -0.149 0.000 0.845 475 L CB 0.488 42.504 42.059 -0.071 0.000 1.143 475 L HN 0.466 nan 8.230 nan 0.000 0.452 476 P HA 0.142 nan 4.420 nan 0.000 0.292 476 P C -0.811 176.495 177.300 0.010 0.000 1.326 476 P CA -0.697 62.433 63.100 0.050 0.000 0.787 476 P CB 0.757 32.489 31.700 0.053 0.000 0.903 477 E N 2.930 123.144 120.200 0.022 0.000 2.406 477 E HA 0.089 4.439 4.350 0.001 0.000 0.258 477 E C 0.055 176.669 176.600 0.023 0.000 1.043 477 E CA -0.322 56.083 56.400 0.009 0.000 0.929 477 E CB 0.240 29.951 29.700 0.019 0.000 0.969 477 E HN 0.264 nan 8.360 nan 0.000 0.462 478 V N 2.657 122.578 119.914 0.013 0.000 2.306 478 V HA 0.695 4.816 4.120 0.001 0.000 0.286 478 V C 0.074 176.177 176.094 0.016 0.000 1.404 478 V CA 0.027 62.337 62.300 0.016 0.000 1.467 478 V CB -0.317 31.517 31.823 0.019 0.000 1.459 478 V HN 0.601 nan 8.190 nan 0.000 0.518 483 V N -1.567 118.256 119.914 -0.152 0.000 2.483 483 V HA 0.751 4.871 4.120 0.001 0.000 0.297 483 V C -1.058 174.989 176.094 -0.079 0.000 1.027 483 V CA -0.639 61.643 62.300 -0.030 0.000 0.855 483 V CB 1.060 32.912 31.823 0.047 0.000 0.995 483 V HN 0.473 nan 8.190 nan 0.000 0.424 484 Y N 2.936 123.337 120.300 0.169 0.000 2.568 484 Y HA 0.648 5.198 4.550 0.001 0.000 0.327 484 Y C -0.041 175.967 175.900 0.179 0.000 1.163 484 Y CA -1.065 57.153 58.100 0.197 0.000 1.219 484 Y CB 1.737 40.262 38.460 0.108 0.000 1.308 484 Y HN 0.705 nan 8.280 nan 0.000 0.503 485 F N 3.308 123.335 119.950 0.129 0.000 2.443 485 F HA 0.356 4.884 4.527 0.001 0.000 0.353 485 F C -2.010 173.813 175.800 0.038 0.000 1.101 485 F CA -2.036 55.923 58.000 -0.068 0.000 1.226 485 F CB 0.533 39.299 39.000 -0.390 0.000 1.140 485 F HN 0.250 nan 8.300 nan 0.000 0.557 486 P HA 0.200 nan 4.420 nan 0.000 0.271 486 P C -1.111 176.248 177.300 0.097 0.000 1.216 486 P CA -0.348 62.726 63.100 -0.043 0.000 0.776 486 P CB 0.637 32.245 31.700 -0.154 0.000 0.881 487 A N 2.490 125.356 122.820 0.076 0.000 2.520 487 A HA -0.021 4.299 4.320 0.001 0.000 0.235 487 A C 1.408 179.060 177.584 0.112 0.000 1.065 487 A CA -0.218 51.878 52.037 0.098 0.000 0.764 487 A CB -0.435 18.593 19.000 0.046 0.000 1.002 487 A HN 0.734 nan 8.150 nan 0.000 0.502 488 L N 1.036 122.354 121.223 0.158 0.000 2.129 488 L HA -0.201 4.139 4.340 0.001 0.000 0.212 488 L C 2.329 179.234 176.870 0.059 0.000 1.087 488 L CA 2.679 57.591 54.840 0.121 0.000 0.757 488 L CB -0.432 41.728 42.059 0.169 0.000 0.896 488 L HN 0.953 nan 8.230 nan 0.000 0.434 489 E N -0.175 120.057 120.200 0.052 0.000 2.097 489 E HA -0.282 4.069 4.350 0.001 0.000 0.196 489 E C 1.885 178.488 176.600 0.004 0.000 1.000 489 E CA 1.522 57.938 56.400 0.028 0.000 0.804 489 E CB -0.043 29.670 29.700 0.021 0.000 0.740 489 E HN 0.527 nan 8.360 nan 0.000 0.454 490 K N 0.391 120.790 120.400 -0.003 0.000 2.025 490 K HA -0.090 4.231 4.320 0.001 0.000 0.207 490 K C 2.347 178.919 176.600 -0.046 0.000 1.049 490 K CA 0.818 57.084 56.287 -0.035 0.000 0.933 490 K CB -0.357 32.118 32.500 -0.042 0.000 0.714 490 K HN 0.270 nan 8.250 nan 0.000 0.438 491 I N 1.593 122.153 120.570 -0.017 0.000 2.264 491 I HA -0.241 3.930 4.170 0.001 0.000 0.248 491 I C 2.408 178.512 176.117 -0.022 0.000 1.111 491 I CA 1.193 62.481 61.300 -0.019 0.000 1.382 491 I CB -0.948 37.057 38.000 0.008 0.000 1.060 491 I HN 0.113 nan 8.210 nan 0.000 0.418 492 L N 0.169 121.395 121.223 0.005 0.000 2.141 492 L HA -0.186 4.154 4.340 0.001 0.000 0.209 492 L C 2.479 179.322 176.870 -0.046 0.000 1.094 492 L CA 1.087 55.958 54.840 0.050 0.000 0.763 492 L CB -0.440 41.678 42.059 0.098 0.000 0.908 492 L HN 0.272 nan 8.230 nan 0.000 0.437 493 E N -0.160 120.000 120.200 -0.066 0.000 2.058 493 E HA -0.192 4.158 4.350 0.001 0.000 0.194 493 E C 0.902 177.403 176.600 -0.166 0.000 0.997 493 E CA 0.698 57.032 56.400 -0.111 0.000 0.801 493 E CB 0.023 29.666 29.700 -0.095 0.000 0.746 493 E HN 0.164 nan 8.360 nan 0.000 0.450 512 R N 1.756 122.231 120.500 -0.042 0.000 2.066 512 R HA -0.020 4.320 4.340 0.001 0.000 0.232 512 R C 1.581 177.774 176.300 -0.179 0.000 1.131 512 R CA 2.253 58.289 56.100 -0.106 0.000 0.955 512 R CB -0.244 29.988 30.300 -0.113 0.000 0.851 512 R HN 0.648 nan 8.270 nan 0.000 0.432 513 E N 0.347 120.452 120.200 -0.158 0.000 2.031 513 E HA -0.185 4.165 4.350 0.001 0.000 0.193 513 E C 2.080 178.632 176.600 -0.080 0.000 0.994 513 E CA 0.945 57.253 56.400 -0.154 0.000 0.800 513 E CB -0.319 29.384 29.700 0.005 0.000 0.752 513 E HN 0.132 nan 8.360 nan 0.000 0.447 514 I N 1.359 121.906 120.570 -0.038 0.000 2.381 514 I HA -0.274 3.896 4.170 0.001 0.000 0.255 514 I C 2.167 178.265 176.117 -0.031 0.000 1.140 514 I CA 1.098 62.386 61.300 -0.019 0.000 1.404 514 I CB -0.033 37.966 38.000 -0.001 0.000 1.075 514 I HN 0.165 nan 8.210 nan 0.000 0.433 515 L N -2.571 118.618 121.223 -0.056 0.000 2.408 515 L HA 0.222 4.562 4.340 0.001 0.000 0.215 515 L C 1.229 178.053 176.870 -0.075 0.000 1.081 515 L CA 0.821 55.624 54.840 -0.062 0.000 0.840 515 L CB -0.768 41.248 42.059 -0.071 0.000 1.002 515 L HN -0.038 nan 8.230 nan 0.000 0.468 516 E N 3.323 123.458 120.200 -0.108 0.000 2.261 516 E HA 0.200 4.550 4.350 0.001 0.000 0.308 516 E C -0.556 176.009 176.600 -0.059 0.000 1.400 516 E CA -0.182 56.148 56.400 -0.116 0.000 1.542 516 E CB 0.009 29.561 29.700 -0.246 0.000 1.369 516 E HN 0.436 nan 8.360 nan 0.000 0.493 523 L N -0.975 120.133 121.223 -0.192 0.000 2.434 523 L HA 0.625 4.966 4.340 0.001 0.000 0.260 523 L C -1.032 175.720 176.870 -0.196 0.000 0.983 523 L CA -1.108 53.592 54.840 -0.234 0.000 0.820 523 L CB 1.157 43.134 42.059 -0.136 0.000 1.361 523 L HN 0.391 nan 8.230 nan 0.000 0.410 524 Y N 0.805 121.073 120.300 -0.055 0.000 2.511 524 Y HA 0.011 4.561 4.550 0.001 0.000 0.347 524 Y C 1.591 177.472 175.900 -0.032 0.000 1.257 524 Y CA 0.353 58.445 58.100 -0.013 0.000 1.469 524 Y CB 0.539 39.040 38.460 0.068 0.000 1.353 524 Y HN 0.782 nan 8.280 nan 0.000 0.617 525 E N 0.180 120.528 120.200 0.246 0.000 2.153 525 E HA -0.264 4.087 4.350 0.001 0.000 0.194 525 E C 1.738 178.417 176.600 0.131 0.000 0.988 525 E CA 1.784 58.266 56.400 0.136 0.000 0.811 525 E CB -0.085 29.685 29.700 0.116 0.000 0.746 525 E HN 0.877 nan 8.360 nan 0.000 0.466 526 H N -1.421 117.700 119.070 0.085 0.000 2.436 526 H HA 0.130 4.686 4.556 0.001 0.000 0.294 526 H C 1.733 177.105 175.328 0.072 0.000 1.048 526 H CA 1.050 57.136 56.048 0.063 0.000 1.353 526 H CB -0.035 29.753 29.762 0.042 0.000 1.414 526 H HN 0.138 nan 8.280 nan 0.000 0.536 527 E N 1.234 121.146 120.200 -0.480 0.000 2.072 527 E HA -0.128 4.223 4.350 0.001 0.000 0.191 527 E C 1.928 178.466 176.600 -0.103 0.000 0.985 527 E CA 0.954 57.161 56.400 -0.320 0.000 0.801 527 E CB 0.082 29.613 29.700 -0.282 0.000 0.750 527 E HN 0.544 nan 8.360 nan 0.000 0.452 528 K N 0.902 121.272 120.400 -0.050 0.000 2.001 528 K HA -0.197 4.124 4.320 0.001 0.000 0.214 528 K C 1.791 178.423 176.600 0.054 0.000 1.050 528 K CA 1.693 57.983 56.287 0.004 0.000 0.934 528 K CB -0.233 32.269 32.500 0.003 0.000 0.718 528 K HN 0.094 nan 8.250 nan 0.000 0.443 529 D N 1.057 121.493 120.400 0.060 0.000 2.182 529 D HA -0.166 4.475 4.640 0.001 0.000 0.201 529 D C 1.869 178.247 176.300 0.130 0.000 0.986 529 D CA 0.776 54.842 54.000 0.110 0.000 0.847 529 D CB -0.270 40.587 40.800 0.096 0.000 0.942 529 D HN 0.032 nan 8.370 nan 0.000 0.467 530 L N 0.710 121.978 121.223 0.074 0.000 2.005 530 L HA -0.130 4.210 4.340 0.001 0.000 0.207 530 L C 2.306 179.206 176.870 0.049 0.000 1.072 530 L CA 1.286 56.157 54.840 0.053 0.000 0.744 530 L CB -0.660 41.409 42.059 0.017 0.000 0.895 530 L HN -0.122 nan 8.230 nan 0.000 0.433 531 V N -0.651 119.290 119.914 0.046 0.000 2.252 531 V HA -0.362 3.759 4.120 0.001 0.000 0.249 531 V C 2.250 178.393 176.094 0.082 0.000 1.056 531 V CA 2.348 64.676 62.300 0.046 0.000 1.022 531 V CB -1.111 30.740 31.823 0.047 0.000 0.641 531 V HN 0.749 nan 8.190 nan 0.000 0.445 532 W N 1.181 122.455 121.300 -0.044 0.000 2.338 532 W HA -0.277 4.383 4.660 0.001 0.000 0.304 532 W C 2.450 178.936 176.519 -0.056 0.000 1.212 532 W CA 2.268 59.577 57.345 -0.060 0.000 1.264 532 W CB -0.148 29.271 29.460 -0.068 0.000 1.142 532 W HN 0.207 nan 8.180 nan 0.000 0.512 533 K N 0.479 120.844 120.400 -0.057 0.000 2.211 533 K HA -0.136 4.184 4.320 0.001 0.000 0.203 533 K C 1.824 178.343 176.600 -0.134 0.000 1.050 533 K CA 1.479 57.693 56.287 -0.122 0.000 0.945 533 K CB -0.639 31.873 32.500 0.019 0.000 0.732 533 K HN 0.047 nan 8.250 nan 0.000 0.451 534 M N 1.059 120.603 119.600 -0.093 0.000 2.494 534 M HA 0.070 4.550 4.480 0.001 0.000 0.232 534 M C 1.231 177.474 176.300 -0.096 0.000 1.137 534 M CA 0.378 55.654 55.300 -0.041 0.000 1.012 534 M CB -0.281 32.324 32.600 0.009 0.000 1.567 534 M HN 0.174 nan 8.290 nan 0.000 0.486 535 R N 0.069 120.394 120.500 -0.293 0.000 2.133 535 R HA -0.218 4.123 4.340 0.001 0.000 0.247 535 R C 1.302 177.439 176.300 -0.270 0.000 1.151 535 R CA 2.174 58.075 56.100 -0.331 0.000 0.971 535 R CB -1.183 28.729 30.300 -0.646 0.000 0.866 535 R HN 0.404 nan 8.270 nan 0.000 0.447 536 H N 1.177 120.186 119.070 -0.102 0.000 2.357 536 H HA -0.030 4.526 4.556 0.001 0.000 0.301 536 H C 2.070 177.347 175.328 -0.085 0.000 1.082 536 H CA 1.585 57.574 56.048 -0.099 0.000 1.342 536 H CB -0.009 29.702 29.762 -0.085 0.000 1.389 536 H HN 0.457 nan 8.280 nan 0.000 0.511 537 E N 1.070 121.341 120.200 0.118 0.000 2.274 537 E HA -0.077 4.274 4.350 0.001 0.000 0.194 537 E C 2.174 178.908 176.600 0.224 0.000 0.996 537 E CA 0.766 57.278 56.400 0.185 0.000 0.840 537 E CB -0.319 29.524 29.700 0.238 0.000 0.772 537 E HN 0.332 nan 8.360 nan 0.000 0.491 538 V N 1.924 121.938 119.914 0.167 0.000 2.307 538 V HA -0.277 3.843 4.120 0.001 0.000 0.245 538 V C 2.746 178.856 176.094 0.026 0.000 1.045 538 V CA 2.115 64.564 62.300 0.248 0.000 1.024 538 V CB -0.672 31.294 31.823 0.237 0.000 0.651 538 V HN 0.263 nan 8.190 nan 0.000 0.449 539 Q N 0.057 119.665 119.800 -0.320 0.000 2.030 539 Q HA -0.273 4.067 4.340 0.001 0.000 0.204 539 Q C 2.212 177.764 176.000 -0.747 0.000 0.986 539 Q CA 2.328 57.483 55.803 -1.081 0.000 0.843 539 Q CB -0.060 28.157 28.738 -0.868 0.000 0.904 539 Q HN 0.747 nan 8.270 nan 0.000 0.420 540 E N -1.401 118.504 120.200 -0.491 0.000 2.158 540 E HA -0.128 4.223 4.350 0.001 0.000 0.191 540 E C 0.976 177.138 176.600 -0.729 0.000 0.982 540 E CA 1.050 57.079 56.400 -0.618 0.000 0.823 540 E CB 0.178 29.463 29.700 -0.692 0.000 0.766 540 E HN 0.548 nan 8.360 nan 0.000 0.468 541 H N -2.478 116.443 119.070 -0.249 0.000 3.233 541 H HA 0.233 4.790 4.556 0.001 0.000 0.263 541 H C -0.538 174.314 175.328 -0.793 0.000 1.168 541 H CA -0.141 55.632 56.048 -0.459 0.000 1.159 541 H CB 0.739 30.214 29.762 -0.477 0.000 1.593 541 H HN -0.024 nan 8.280 nan 0.000 0.580 542 F N 0.328 120.287 119.950 0.015 0.000 2.505 542 F HA 0.225 4.752 4.527 0.001 0.000 0.383 542 F C -1.958 173.908 175.800 0.110 0.000 1.509 542 F CA -1.674 56.364 58.000 0.064 0.000 1.101 542 F CB 1.254 40.308 39.000 0.090 0.000 1.367 542 F HN -0.036 nan 8.300 nan 0.000 0.523 543 P HA -0.215 nan 4.420 nan 0.000 0.218 543 P C 1.056 178.697 177.300 0.568 0.000 1.146 543 P CA 1.580 64.851 63.100 0.285 0.000 0.813 543 P CB 0.355 32.066 31.700 0.019 0.000 0.778 544 E N -0.596 119.807 120.200 0.337 0.000 2.478 544 E HA 0.025 4.376 4.350 0.001 0.000 0.198 544 E C 1.721 178.449 176.600 0.212 0.000 1.046 544 E CA 0.386 56.937 56.400 0.251 0.000 0.870 544 E CB -0.254 29.552 29.700 0.178 0.000 0.818 544 E HN 0.216 nan 8.360 nan 0.000 0.527 545 A N 0.347 123.332 122.820 0.274 0.000 2.307 545 A HA 0.034 4.355 4.320 0.001 0.000 0.218 545 A C 1.701 179.357 177.584 0.119 0.000 1.228 545 A CA -0.135 52.009 52.037 0.179 0.000 0.857 545 A CB -0.139 18.953 19.000 0.155 0.000 0.897 545 A HN 0.216 nan 8.150 nan 0.000 0.495 546 L N 0.301 121.568 121.223 0.075 0.000 2.030 546 L HA -0.310 4.030 4.340 0.001 0.000 0.222 546 L C 2.618 179.339 176.870 -0.248 0.000 1.082 546 L CA 2.637 57.261 54.840 -0.359 0.000 0.785 546 L CB -0.870 40.698 42.059 -0.818 0.000 0.895 546 L HN 0.409 nan 8.230 nan 0.000 0.439 547 A N -0.891 121.823 122.820 -0.177 0.000 1.917 547 A HA -0.311 4.009 4.320 0.001 0.000 0.219 547 A C 2.540 180.205 177.584 0.134 0.000 1.182 547 A CA 2.158 54.147 52.037 -0.079 0.000 0.633 547 A CB -0.717 18.229 19.000 -0.090 0.000 0.819 547 A HN 0.566 nan 8.150 nan 0.000 0.448 548 R N -1.074 119.474 120.500 0.080 0.000 2.115 548 R HA -0.078 4.262 4.340 0.001 0.000 0.230 548 R C 1.982 178.335 176.300 0.090 0.000 1.111 548 R CA 1.423 57.575 56.100 0.086 0.000 0.976 548 R CB -0.288 30.041 30.300 0.049 0.000 0.870 548 R HN 0.463 nan 8.270 nan 0.000 0.445 549 L N 0.700 121.966 121.223 0.072 0.000 2.109 549 L HA -0.020 4.321 4.340 0.001 0.000 0.207 549 L C 1.763 178.708 176.870 0.124 0.000 1.086 549 L CA 1.490 56.386 54.840 0.092 0.000 0.760 549 L CB -0.257 41.840 42.059 0.063 0.000 0.910 549 L HN 0.196 nan 8.230 nan 0.000 0.437 550 L N -1.076 120.229 121.223 0.138 0.000 2.131 550 L HA -0.197 4.144 4.340 0.001 0.000 0.210 550 L C 2.307 179.427 176.870 0.416 0.000 1.092 550 L CA 1.054 56.083 54.840 0.315 0.000 0.759 550 L CB -0.456 41.839 42.059 0.393 0.000 0.903 550 L HN 0.282 nan 8.230 nan 0.000 0.435 551 L N -0.606 120.787 121.223 0.284 0.000 2.478 551 L HA -0.075 4.265 4.340 0.001 0.000 0.223 551 L C 2.111 179.048 176.870 0.113 0.000 1.140 551 L CA 0.277 55.224 54.840 0.178 0.000 0.842 551 L CB -0.171 41.941 42.059 0.089 0.000 0.953 551 L HN 0.234 nan 8.230 nan 0.000 0.452 552 V N -5.798 114.168 119.914 0.087 0.000 3.431 552 V HA 0.082 4.203 4.120 0.001 0.000 0.253 552 V C 1.329 177.336 176.094 -0.144 0.000 1.184 552 V CA 0.125 62.428 62.300 0.006 0.000 1.104 552 V CB -0.239 31.613 31.823 0.049 0.000 0.799 552 V HN 0.296 nan 8.190 nan 0.000 0.462 553 T N 2.196 116.642 114.554 -0.181 0.000 2.946 553 T HA 0.102 4.452 4.350 0.001 0.000 0.311 553 T C 0.133 174.361 174.700 -0.787 0.000 1.063 553 T CA 0.067 61.796 62.100 -0.618 0.000 1.139 553 T CB 0.126 68.624 68.868 -0.617 0.000 0.994 553 T HN 0.588 nan 8.240 nan 0.000 0.547 554 K N 4.472 124.350 120.400 -0.870 0.000 2.250 554 K HA 0.136 4.457 4.320 0.001 0.000 0.280 554 K C -0.024 176.281 176.600 -0.491 0.000 1.098 554 K CA -0.249 55.703 56.287 -0.558 0.000 0.916 554 K CB 0.563 32.765 32.500 -0.496 0.000 1.209 554 K HN 0.763 nan 8.250 nan 0.000 0.461 555 W N 1.543 122.719 121.300 -0.207 0.000 3.180 555 W HA -0.058 4.603 4.660 0.001 0.000 0.254 555 W C 1.469 177.857 176.519 -0.220 0.000 1.318 555 W CA 0.025 57.216 57.345 -0.258 0.000 1.608 555 W CB -0.036 29.177 29.460 -0.412 0.000 1.124 555 W HN 0.581 nan 8.180 nan 0.000 0.694 556 N N 0.093 118.792 118.700 -0.001 0.000 2.236 556 N HA -0.007 4.733 4.740 0.001 0.000 0.196 556 N C -0.039 175.478 175.510 0.011 0.000 1.114 556 N CA 0.333 53.385 53.050 0.003 0.000 0.859 556 N CB -0.075 38.405 38.487 -0.012 0.000 0.982 556 N HN -0.173 nan 8.380 nan 0.000 0.493 557 K N 1.331 121.710 120.400 -0.034 0.000 2.358 557 K HA 0.119 4.440 4.320 0.001 0.000 0.260 557 K C 0.731 177.330 176.600 -0.001 0.000 0.956 557 K CA -0.524 55.753 56.287 -0.017 0.000 0.834 557 K CB 1.213 33.648 32.500 -0.107 0.000 1.102 557 K HN 0.277 nan 8.250 nan 0.000 0.431 558 H N 2.427 121.520 119.070 0.038 0.000 2.423 558 H HA 0.001 4.558 4.556 0.001 0.000 0.297 558 H C 0.496 175.852 175.328 0.046 0.000 1.075 558 H CA 1.312 57.403 56.048 0.072 0.000 1.342 558 H CB 0.412 30.244 29.762 0.116 0.000 1.395 558 H HN 0.591 nan 8.280 nan 0.000 0.530 559 E N 0.824 120.675 120.200 -0.582 0.000 2.110 559 E HA -0.138 4.212 4.350 0.001 0.000 0.193 559 E C 1.525 178.047 176.600 -0.130 0.000 0.988 559 E CA 1.298 57.473 56.400 -0.375 0.000 0.804 559 E CB 0.025 29.522 29.700 -0.339 0.000 0.745 559 E HN 0.549 nan 8.360 nan 0.000 0.458 560 D N 0.355 120.679 120.400 -0.127 0.000 2.183 560 D HA -0.097 4.543 4.640 0.001 0.000 0.203 560 D C 1.997 178.256 176.300 -0.069 0.000 0.969 560 D CA 0.549 54.505 54.000 -0.073 0.000 0.842 560 D CB -0.044 40.523 40.800 -0.387 0.000 0.957 560 D HN -0.017 nan 8.370 nan 0.000 0.484 561 V N 1.099 120.928 119.914 -0.141 0.000 2.307 561 V HA -0.208 3.913 4.120 0.001 0.000 0.245 561 V C 2.475 178.566 176.094 -0.004 0.000 1.045 561 V CA 1.665 63.887 62.300 -0.130 0.000 1.024 561 V CB -0.853 30.982 31.823 0.019 0.000 0.651 561 V HN 0.209 nan 8.190 nan 0.000 0.449 562 A N -0.792 122.044 122.820 0.025 0.000 1.948 562 A HA -0.366 3.954 4.320 0.001 0.000 0.220 562 A C 2.166 179.777 177.584 0.045 0.000 1.177 562 A CA 2.480 54.530 52.037 0.022 0.000 0.636 562 A CB -0.542 18.449 19.000 -0.015 0.000 0.815 562 A HN 0.592 nan 8.150 nan 0.000 0.449 563 Q N -1.810 118.031 119.800 0.069 0.000 1.993 563 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 563 Q C 2.152 178.215 176.000 0.106 0.000 0.984 563 Q CA 2.139 58.007 55.803 0.109 0.000 0.837 563 Q CB -0.301 28.562 28.738 0.208 0.000 0.902 563 Q HN 0.632 nan 8.270 nan 0.000 0.423 564 M N -0.325 119.341 119.600 0.111 0.000 2.108 564 M HA -0.151 4.329 4.480 0.001 0.000 0.261 564 M C 1.483 177.792 176.300 0.014 0.000 1.066 564 M CA 1.493 56.819 55.300 0.043 0.000 1.107 564 M CB -0.421 32.154 32.600 -0.043 0.000 1.356 564 M HN 0.253 nan 8.290 nan 0.000 0.406 565 L N -0.868 120.362 121.223 0.011 0.000 2.012 565 L HA -0.205 4.135 4.340 0.001 0.000 0.210 565 L C 2.407 179.276 176.870 -0.001 0.000 1.073 565 L CA 1.977 56.796 54.840 -0.035 0.000 0.748 565 L CB -1.769 40.214 42.059 -0.128 0.000 0.891 565 L HN 0.501 nan 8.230 nan 0.000 0.431 566 Y N -0.251 120.015 120.300 -0.056 0.000 2.193 566 Y HA -0.273 4.277 4.550 0.001 0.000 0.285 566 Y C 2.288 178.197 175.900 0.015 0.000 1.166 566 Y CA 1.599 59.682 58.100 -0.028 0.000 1.181 566 Y CB -0.289 38.156 38.460 -0.025 0.000 0.976 566 Y HN 0.109 nan 8.280 nan 0.000 0.520 567 L N -0.968 120.218 121.223 -0.061 0.000 2.093 567 L HA -0.174 4.166 4.340 0.001 0.000 0.208 567 L C 2.347 179.277 176.870 0.099 0.000 1.085 567 L CA 0.799 55.617 54.840 -0.038 0.000 0.755 567 L CB -0.628 41.500 42.059 0.116 0.000 0.904 567 L HN 0.306 nan 8.230 nan 0.000 0.435 568 L N -0.302 120.934 121.223 0.023 0.000 2.083 568 L HA -0.195 4.145 4.340 0.001 0.000 0.209 568 L C 2.439 179.329 176.870 0.033 0.000 1.083 568 L CA 1.673 56.478 54.840 -0.057 0.000 0.752 568 L CB -0.632 41.330 42.059 -0.162 0.000 0.899 568 L HN 0.254 nan 8.230 nan 0.000 0.433 569 C N -0.678 118.618 119.300 -0.006 0.000 2.432 569 C HA -0.024 4.437 4.460 0.001 0.000 0.282 569 C C 2.514 177.521 174.990 0.028 0.000 1.388 569 C CA 0.934 59.967 59.018 0.026 0.000 1.777 569 C CB -1.429 26.300 27.740 -0.018 0.000 1.882 569 C HN 0.770 nan 8.230 nan 0.000 0.520 570 S N -2.559 113.123 115.700 -0.031 0.000 2.578 570 S HA 0.086 4.556 4.470 0.001 0.000 0.231 570 S C 0.124 174.743 174.600 0.033 0.000 0.994 570 S CA -0.427 57.749 58.200 -0.040 0.000 0.956 570 S CB -0.243 62.853 63.200 -0.172 0.000 0.870 570 S HN 0.647 nan 8.310 nan 0.000 0.494 571 W N 4.207 125.484 121.300 -0.037 0.000 2.251 571 W HA 0.297 4.958 4.660 0.001 0.000 0.327 571 W C -2.816 173.811 176.519 0.180 0.000 1.361 571 W CA -1.752 55.594 57.345 0.002 0.000 1.234 571 W CB 0.390 29.736 29.460 -0.191 0.000 1.212 571 W HN 0.124 nan 8.180 nan 0.000 0.557 572 P HA -0.034 nan 4.420 nan 0.000 0.269 572 P C -0.482 177.057 177.300 0.400 0.000 1.209 572 P CA 0.400 63.610 63.100 0.183 0.000 0.776 572 P CB 0.510 32.217 31.700 0.013 0.000 0.876 573 E N 1.169 121.463 120.200 0.157 0.000 2.442 573 E HA 0.043 4.394 4.350 0.001 0.000 0.262 573 E C -0.156 176.493 176.600 0.082 0.000 1.004 573 E CA 0.213 56.608 56.400 -0.008 0.000 0.928 573 E CB 0.251 29.899 29.700 -0.087 0.000 0.937 573 E HN 0.354 nan 8.360 nan 0.000 0.446 574 L N 3.957 125.198 121.223 0.030 0.000 2.334 574 L HA 0.386 4.726 4.340 0.001 0.000 0.272 574 L C -2.179 174.701 176.870 0.017 0.000 1.020 574 L CA -2.440 52.460 54.840 0.100 0.000 0.812 574 L CB 1.199 43.368 42.059 0.183 0.000 1.264 574 L HN 0.236 nan 8.230 nan 0.000 0.439 575 P HA -0.015 nan 4.420 nan 0.000 0.266 575 P C 0.967 178.266 177.300 -0.001 0.000 1.195 575 P CA -0.181 62.932 63.100 0.021 0.000 0.768 575 P CB 0.680 32.404 31.700 0.039 0.000 0.838 576 V N 2.884 122.801 119.914 0.005 0.000 2.252 576 V HA -0.292 3.828 4.120 0.001 0.000 0.255 576 V C 2.213 178.290 176.094 -0.029 0.000 1.071 576 V CA 2.135 64.437 62.300 0.003 0.000 1.050 576 V CB -1.115 30.746 31.823 0.064 0.000 0.654 576 V HN 0.556 nan 8.190 nan 0.000 0.448 577 L N 0.252 121.475 121.223 -0.001 0.000 1.978 577 L HA -0.211 4.130 4.340 0.001 0.000 0.218 577 L C 2.555 179.375 176.870 -0.083 0.000 1.075 577 L CA 2.610 57.453 54.840 0.005 0.000 0.767 577 L CB -1.055 41.048 42.059 0.073 0.000 0.890 577 L HN 0.353 nan 8.230 nan 0.000 0.434 578 S N -0.386 115.278 115.700 -0.059 0.000 2.370 578 S HA -0.182 4.288 4.470 0.001 0.000 0.226 578 S C 2.049 176.535 174.600 -0.189 0.000 1.033 578 S CA 1.164 59.298 58.200 -0.111 0.000 1.011 578 S CB -0.657 62.536 63.200 -0.012 0.000 0.852 578 S HN 0.692 nan 8.310 nan 0.000 0.457 579 A N 1.134 123.871 122.820 -0.138 0.000 1.930 579 A HA 0.037 4.358 4.320 0.001 0.000 0.217 579 A C 2.074 179.544 177.584 -0.190 0.000 1.175 579 A CA 1.005 52.951 52.037 -0.151 0.000 0.627 579 A CB -0.615 18.305 19.000 -0.132 0.000 0.815 579 A HN 0.459 nan 8.150 nan 0.000 0.443 580 L N -0.887 120.209 121.223 -0.213 0.000 2.141 580 L HA -0.172 4.168 4.340 0.001 0.000 0.209 580 L C 2.606 179.317 176.870 -0.265 0.000 1.094 580 L CA 1.590 56.300 54.840 -0.216 0.000 0.763 580 L CB -0.327 41.589 42.059 -0.238 0.000 0.908 580 L HN 0.577 nan 8.230 nan 0.000 0.437 581 E N 0.632 120.538 120.200 -0.490 0.000 2.047 581 E HA -0.204 4.147 4.350 0.001 0.000 0.191 581 E C 2.319 178.756 176.600 -0.273 0.000 0.987 581 E CA 0.908 57.031 56.400 -0.462 0.000 0.799 581 E CB -0.020 29.273 29.700 -0.678 0.000 0.752 581 E HN 0.456 nan 8.360 nan 0.000 0.449 582 L N 0.884 121.841 121.223 -0.443 0.000 2.261 582 L HA -0.183 4.157 4.340 0.001 0.000 0.216 582 L C 2.265 178.996 176.870 -0.232 0.000 1.114 582 L CA 0.566 55.021 54.840 -0.643 0.000 0.777 582 L CB -0.301 41.484 42.059 -0.457 0.000 0.910 582 L HN 0.254 nan 8.230 nan 0.000 0.440 583 L N -0.789 120.389 121.223 -0.074 0.000 2.552 583 L HA -0.036 4.304 4.340 0.001 0.000 0.227 583 L C 0.746 177.723 176.870 0.179 0.000 1.146 583 L CA -0.144 54.726 54.840 0.050 0.000 0.858 583 L CB -0.428 41.648 42.059 0.029 0.000 0.969 583 L HN 0.198 nan 8.230 nan 0.000 0.451 584 D N -0.835 119.721 120.400 0.261 0.000 2.368 584 D HA -0.111 4.530 4.640 0.001 0.000 0.240 584 D C 0.847 177.220 176.300 0.121 0.000 1.169 584 D CA -0.050 54.100 54.000 0.251 0.000 0.906 584 D CB 0.691 41.654 40.800 0.272 0.000 1.187 584 D HN -0.027 nan 8.370 nan 0.000 0.435 585 F N 1.188 120.921 119.950 -0.362 0.000 2.333 585 F HA -0.113 4.415 4.527 0.001 0.000 0.300 585 F C 1.968 177.463 175.800 -0.508 0.000 1.083 585 F CA 1.005 58.627 58.000 -0.630 0.000 1.395 585 F CB -0.339 37.995 39.000 -1.110 0.000 1.056 585 F HN 0.257 nan 8.300 nan 0.000 0.529 586 S N -0.371 114.953 115.700 -0.626 0.000 2.727 586 S HA 0.002 4.473 4.470 0.001 0.000 0.226 586 S C -0.166 173.608 174.600 -1.377 0.000 0.963 586 S CA 0.058 57.670 58.200 -0.981 0.000 0.950 586 S CB -1.091 61.532 63.200 -0.961 0.000 0.779 586 S HN 0.274 nan 8.310 nan 0.000 0.532 587 F N 0.827 120.531 119.950 -0.410 0.000 2.794 587 F HA 0.346 4.874 4.527 0.001 0.000 0.353 587 F C -2.170 173.377 175.800 -0.421 0.000 1.371 587 F CA -2.089 55.683 58.000 -0.379 0.000 1.173 587 F CB 1.023 39.898 39.000 -0.207 0.000 1.693 587 F HN -0.070 nan 8.300 nan 0.000 0.606 588 P HA -0.077 nan 4.420 nan 0.000 0.225 588 P C 0.294 177.388 177.300 -0.342 0.000 1.156 588 P CA 0.673 63.471 63.100 -0.502 0.000 0.787 588 P CB 0.307 31.497 31.700 -0.849 0.000 0.802 589 D N 0.011 120.198 120.400 -0.356 0.000 2.488 589 D HA -0.068 4.572 4.640 0.001 0.000 0.238 589 D C 1.378 177.659 176.300 -0.032 0.000 1.138 589 D CA 0.005 53.936 54.000 -0.115 0.000 0.873 589 D CB 0.643 41.443 40.800 -0.000 0.000 1.183 589 D HN 0.156 nan 8.370 nan 0.000 0.458 590 C N 2.991 122.256 119.300 -0.058 0.000 2.446 590 C HA -0.036 4.425 4.460 0.001 0.000 0.279 590 C C 2.222 177.126 174.990 -0.143 0.000 1.366 590 C CA 0.032 58.974 59.018 -0.128 0.000 1.763 590 C CB -1.616 25.992 27.740 -0.220 0.000 1.929 590 C HN 0.704 nan 8.230 nan 0.000 0.509 591 Y N 1.760 122.088 120.300 0.047 0.000 2.200 591 Y HA -0.050 4.501 4.550 0.001 0.000 0.290 591 Y C 2.877 178.822 175.900 0.075 0.000 1.137 591 Y CA 1.730 59.873 58.100 0.072 0.000 1.163 591 Y CB -0.860 37.659 38.460 0.098 0.000 0.988 591 Y HN 0.164 nan 8.280 nan 0.000 0.518 592 V N -0.330 119.710 119.914 0.209 0.000 2.287 592 V HA -0.298 3.822 4.120 0.001 0.000 0.248 592 V C 2.533 178.679 176.094 0.087 0.000 1.053 592 V CA 2.095 64.454 62.300 0.098 0.000 1.027 592 V CB -1.446 30.412 31.823 0.058 0.000 0.646 592 V HN 0.576 nan 8.190 nan 0.000 0.447 593 G N -1.480 107.350 108.800 0.050 0.000 2.418 593 G HA2 -0.275 3.685 3.960 0.001 0.000 0.217 593 G HA3 -0.275 3.685 3.960 0.001 0.000 0.217 593 G C 1.924 176.830 174.900 0.010 0.000 1.158 593 G CA 1.193 46.304 45.100 0.018 0.000 0.771 593 G HN 0.468 nan 8.290 nan 0.000 0.545 594 S N -0.421 115.297 115.700 0.031 0.000 2.382 594 S HA -0.076 4.395 4.470 0.001 0.000 0.228 594 S C 1.954 176.581 174.600 0.045 0.000 1.027 594 S CA 1.140 59.352 58.200 0.020 0.000 0.991 594 S CB -0.355 62.865 63.200 0.033 0.000 0.823 594 S HN 0.399 nan 8.310 nan 0.000 0.469 595 F N 2.223 122.153 119.950 -0.033 0.000 2.102 595 F HA -0.055 4.472 4.527 0.001 0.000 0.298 595 F C 2.227 177.966 175.800 -0.101 0.000 1.105 595 F CA 1.309 59.279 58.000 -0.050 0.000 1.239 595 F CB -0.749 38.221 39.000 -0.051 0.000 0.991 595 F HN 0.235 nan 8.300 nan 0.000 0.474 596 A N 1.045 123.890 122.820 0.042 0.000 1.865 596 A HA -0.190 4.130 4.320 0.001 0.000 0.217 596 A C 2.187 179.634 177.584 -0.229 0.000 1.191 596 A CA 1.952 53.931 52.037 -0.097 0.000 0.623 596 A CB -1.122 17.836 19.000 -0.071 0.000 0.826 596 A HN 0.414 nan 8.150 nan 0.000 0.444 597 I N 0.274 120.701 120.570 -0.239 0.000 2.208 597 I HA -0.256 3.914 4.170 0.001 0.000 0.245 597 I C 2.411 178.279 176.117 -0.414 0.000 1.097 597 I CA 2.218 63.273 61.300 -0.409 0.000 1.363 597 I CB -1.195 36.601 38.000 -0.340 0.000 1.051 597 I HN 0.545 nan 8.210 nan 0.000 0.413 598 K N 0.701 120.920 120.400 -0.303 0.000 2.097 598 K HA -0.119 4.202 4.320 0.001 0.000 0.206 598 K C 2.189 178.596 176.600 -0.322 0.000 1.049 598 K CA 1.663 57.783 56.287 -0.279 0.000 0.933 598 K CB -0.058 32.297 32.500 -0.241 0.000 0.717 598 K HN 0.030 nan 8.250 nan 0.000 0.442 599 S N 0.391 115.839 115.700 -0.419 0.000 2.453 599 S HA 0.089 4.560 4.470 0.001 0.000 0.231 599 S C 1.448 175.923 174.600 -0.207 0.000 1.005 599 S CA 0.528 58.523 58.200 -0.342 0.000 0.949 599 S CB -0.019 62.946 63.200 -0.391 0.000 0.774 599 S HN 0.299 nan 8.310 nan 0.000 0.510 600 L N 0.468 121.545 121.223 -0.243 0.000 2.509 600 L HA 0.170 4.511 4.340 0.001 0.000 0.222 600 L C 2.194 179.019 176.870 -0.075 0.000 1.123 600 L CA 0.268 55.001 54.840 -0.179 0.000 0.856 600 L CB -0.129 41.750 42.059 -0.300 0.000 0.985 600 L HN 0.169 nan 8.230 nan 0.000 0.456 601 R N 0.968 121.412 120.500 -0.094 0.000 2.152 601 R HA -0.158 4.183 4.340 0.001 0.000 0.232 601 R C 1.849 178.222 176.300 0.123 0.000 1.117 601 R CA 1.110 57.282 56.100 0.120 0.000 0.981 601 R CB -0.185 30.163 30.300 0.080 0.000 0.870 601 R HN 0.416 nan 8.270 nan 0.000 0.451 602 K N 0.726 121.156 120.400 0.050 0.000 2.555 602 K HA 0.023 4.343 4.320 0.001 0.000 0.193 602 K C 0.216 176.858 176.600 0.071 0.000 1.032 602 K CA 0.286 56.603 56.287 0.049 0.000 1.004 602 K CB -0.040 32.470 32.500 0.018 0.000 0.804 602 K HN 0.081 nan 8.250 nan 0.000 0.496 603 L N 3.496 124.785 121.223 0.110 0.000 2.499 603 L HA -0.018 4.322 4.340 0.001 0.000 0.273 603 L C 0.907 177.829 176.870 0.087 0.000 1.195 603 L CA -0.122 54.789 54.840 0.119 0.000 0.882 603 L CB 0.473 42.647 42.059 0.191 0.000 1.133 603 L HN 0.362 nan 8.230 nan 0.000 0.483 604 T N -1.409 113.174 114.554 0.047 0.000 2.766 604 T HA 0.027 4.377 4.350 0.001 0.000 0.295 604 T C 0.793 175.504 174.700 0.018 0.000 1.024 604 T CA -0.759 61.357 62.100 0.026 0.000 1.018 604 T CB 0.842 69.712 68.868 0.004 0.000 1.002 604 T HN 0.519 nan 8.240 nan 0.000 0.532 605 D N 0.169 120.576 120.400 0.010 0.000 2.178 605 D HA -0.053 4.588 4.640 0.001 0.000 0.202 605 D C 1.698 178.006 176.300 0.013 0.000 0.974 605 D CA 0.897 54.901 54.000 0.006 0.000 0.841 605 D CB -0.210 40.583 40.800 -0.011 0.000 0.953 605 D HN 0.581 nan 8.370 nan 0.000 0.478 606 D N 0.720 121.114 120.400 -0.010 0.000 2.144 606 D HA -0.101 4.539 4.640 0.001 0.000 0.200 606 D C 1.894 178.143 176.300 -0.085 0.000 0.978 606 D CA 0.670 54.666 54.000 -0.007 0.000 0.833 606 D CB -0.009 40.769 40.800 -0.038 0.000 0.961 606 D HN 0.382 nan 8.370 nan 0.000 0.470 607 E N 0.110 120.222 120.200 -0.147 0.000 2.028 607 E HA -0.133 4.218 4.350 0.001 0.000 0.191 607 E C 2.095 178.439 176.600 -0.426 0.000 0.988 607 E CA 0.197 56.382 56.400 -0.358 0.000 0.799 607 E CB -0.098 29.481 29.700 -0.202 0.000 0.755 607 E HN 0.054 nan 8.360 nan 0.000 0.447 608 L N 0.946 122.100 121.223 -0.116 0.000 2.021 608 L HA -0.227 4.114 4.340 0.001 0.000 0.215 608 L C 2.110 178.984 176.870 0.008 0.000 1.074 608 L CA 1.724 56.566 54.840 0.004 0.000 0.760 608 L CB -0.716 41.380 42.059 0.061 0.000 0.889 608 L HN 0.114 nan 8.230 nan 0.000 0.433 609 F N 0.269 120.132 119.950 -0.146 0.000 2.134 609 F HA -0.219 4.309 4.527 0.001 0.000 0.299 609 F C 2.574 178.258 175.800 -0.193 0.000 1.097 609 F CA 1.928 59.849 58.000 -0.131 0.000 1.264 609 F CB -0.679 38.246 39.000 -0.124 0.000 1.001 609 F HN 0.308 nan 8.300 nan 0.000 0.479 610 Q N -0.567 118.942 119.800 -0.486 0.000 2.234 610 Q HA -0.203 4.138 4.340 0.001 0.000 0.206 610 Q C 0.830 176.597 176.000 -0.388 0.000 0.980 610 Q CA 1.875 57.312 55.803 -0.609 0.000 0.869 610 Q CB -0.456 27.873 28.738 -0.682 0.000 0.912 610 Q HN 0.566 nan 8.270 nan 0.000 0.436 611 Y N -1.559 118.633 120.300 -0.180 0.000 2.557 611 Y HA 0.210 4.760 4.550 0.001 0.000 0.247 611 Y C 1.007 176.845 175.900 -0.104 0.000 1.164 611 Y CA -0.735 57.281 58.100 -0.140 0.000 1.218 611 Y CB -0.333 38.080 38.460 -0.079 0.000 1.210 611 Y HN 0.071 nan 8.280 nan 0.000 0.529 612 L N 0.388 121.617 121.223 0.010 0.000 2.042 612 L HA -0.188 4.152 4.340 0.001 0.000 0.210 612 L C 2.170 179.014 176.870 -0.044 0.000 1.076 612 L CA 1.544 56.417 54.840 0.055 0.000 0.749 612 L CB -0.688 41.467 42.059 0.160 0.000 0.893 612 L HN 0.293 nan 8.230 nan 0.000 0.432 613 L N -0.592 120.517 121.223 -0.190 0.000 2.043 613 L HA -0.272 4.068 4.340 0.001 0.000 0.212 613 L C 2.388 179.122 176.870 -0.227 0.000 1.075 613 L CA 1.926 56.535 54.840 -0.386 0.000 0.752 613 L CB -0.765 41.061 42.059 -0.388 0.000 0.891 613 L HN 0.391 nan 8.230 nan 0.000 0.432 614 Q N -0.755 118.965 119.800 -0.133 0.000 2.083 614 Q HA -0.038 4.302 4.340 0.001 0.000 0.198 614 Q C 2.189 178.156 176.000 -0.056 0.000 0.969 614 Q CA 1.661 57.403 55.803 -0.102 0.000 0.838 614 Q CB -0.396 28.289 28.738 -0.088 0.000 0.900 614 Q HN 0.517 nan 8.270 nan 0.000 0.436 615 L N -0.611 120.610 121.223 -0.003 0.000 2.131 615 L HA -0.160 4.181 4.340 0.001 0.000 0.210 615 L C 2.056 178.932 176.870 0.009 0.000 1.092 615 L CA 0.640 55.504 54.840 0.040 0.000 0.759 615 L CB -0.475 41.654 42.059 0.116 0.000 0.903 615 L HN 0.092 nan 8.230 nan 0.000 0.435 616 V N -0.953 118.938 119.914 -0.038 0.000 2.453 616 V HA -0.217 3.904 4.120 0.001 0.000 0.247 616 V C 2.546 178.612 176.094 -0.047 0.000 1.048 616 V CA 1.287 63.543 62.300 -0.073 0.000 1.049 616 V CB -0.405 31.344 31.823 -0.124 0.000 0.672 616 V HN 0.431 nan 8.190 nan 0.000 0.457 617 Q N -0.345 119.402 119.800 -0.089 0.000 2.124 617 Q HA -0.112 4.228 4.340 0.001 0.000 0.202 617 Q C 2.264 178.128 176.000 -0.226 0.000 0.977 617 Q CA 1.284 57.010 55.803 -0.129 0.000 0.850 617 Q CB -0.755 27.878 28.738 -0.175 0.000 0.901 617 Q HN 0.500 nan 8.270 nan 0.000 0.429 618 V N 1.145 120.951 119.914 -0.181 0.000 3.241 618 V HA -0.154 3.966 4.120 0.001 0.000 0.269 618 V C 2.040 178.093 176.094 -0.068 0.000 1.151 618 V CA 0.649 62.842 62.300 -0.178 0.000 1.158 618 V CB -0.482 31.351 31.823 0.017 0.000 0.764 618 V HN 0.278 nan 8.190 nan 0.000 0.508 619 L N -0.667 120.548 121.223 -0.012 0.000 2.201 619 L HA -0.140 4.201 4.340 0.001 0.000 0.212 619 L C 2.320 179.200 176.870 0.016 0.000 1.105 619 L CA 1.330 56.216 54.840 0.077 0.000 0.775 619 L CB -0.490 41.691 42.059 0.203 0.000 0.913 619 L HN 0.267 nan 8.230 nan 0.000 0.440 620 K N -0.925 119.404 120.400 -0.118 0.000 2.442 620 K HA -0.142 4.179 4.320 0.001 0.000 0.198 620 K C 1.509 177.989 176.600 -0.199 0.000 1.042 620 K CA 0.903 57.050 56.287 -0.235 0.000 0.958 620 K CB 0.003 32.294 32.500 -0.349 0.000 0.766 620 K HN 0.222 nan 8.250 nan 0.000 0.474 621 Y N 1.473 121.693 120.300 -0.134 0.000 2.503 621 Y HA 0.084 4.635 4.550 0.001 0.000 0.278 621 Y C 0.668 176.514 175.900 -0.089 0.000 1.111 621 Y CA -0.228 57.763 58.100 -0.181 0.000 1.270 621 Y CB -0.002 38.405 38.460 -0.089 0.000 1.063 621 Y HN -0.080 nan 8.280 nan 0.000 0.548 622 E N 0.138 120.395 120.200 0.095 0.000 2.413 622 E HA 0.004 4.354 4.350 0.001 0.000 0.263 622 E C 0.931 177.507 176.600 -0.042 0.000 1.015 622 E CA 0.256 56.689 56.400 0.054 0.000 0.916 622 E CB 1.162 30.902 29.700 0.066 0.000 0.947 622 E HN 0.116 nan 8.360 nan 0.000 0.440 623 S N 1.539 117.161 115.700 -0.129 0.000 2.439 623 S HA 0.008 4.479 4.470 0.001 0.000 0.224 623 S C -0.043 174.209 174.600 -0.581 0.000 1.029 623 S CA 0.731 58.672 58.200 -0.432 0.000 0.946 623 S CB 0.061 62.849 63.200 -0.687 0.000 0.797 623 S HN 0.388 nan 8.310 nan 0.000 0.504 624 Y N -0.740 119.591 120.300 0.052 0.000 2.576 624 Y HA 0.475 5.025 4.550 0.000 0.000 0.346 624 Y C 0.826 176.746 175.900 0.034 0.000 1.018 624 Y CA -1.064 57.067 58.100 0.052 0.000 1.050 624 Y CB 0.791 39.313 38.460 0.102 0.000 1.280 624 Y HN -0.191 nan 8.280 nan 0.000 0.474 625 L N 0.027 121.354 121.223 0.173 0.000 2.005 625 L HA -0.067 4.274 4.340 0.001 0.000 0.207 625 L C 0.351 177.410 176.870 0.317 0.000 1.072 625 L CA 1.256 56.115 54.840 0.033 0.000 0.744 625 L CB -0.071 41.864 42.059 -0.205 0.000 0.895 625 L HN 0.598 nan 8.230 nan 0.000 0.433 626 D N 0.086 120.737 120.400 0.419 0.000 2.339 626 D HA 0.248 4.889 4.640 0.001 0.000 0.256 626 D C -0.511 175.918 176.300 0.215 0.000 1.214 626 D CA -0.133 54.081 54.000 0.355 0.000 0.877 626 D CB 0.661 41.590 40.800 0.215 0.000 1.111 626 D HN 0.279 nan 8.370 nan 0.000 0.478 627 C N 2.265 121.667 119.300 0.169 0.000 3.318 627 C HA 0.491 4.952 4.460 0.001 0.000 0.322 627 C C 1.265 176.290 174.990 0.058 0.000 1.398 627 C CA -0.738 58.347 59.018 0.111 0.000 1.339 627 C CB 1.473 29.298 27.740 0.142 0.000 1.668 627 C HN 0.542 nan 8.230 nan 0.000 0.462 628 E N -0.060 120.160 120.200 0.034 0.000 2.106 628 E HA -0.129 4.221 4.350 0.001 0.000 0.192 628 E C 1.778 178.419 176.600 0.068 0.000 0.984 628 E CA 1.063 57.471 56.400 0.013 0.000 0.806 628 E CB -0.127 29.561 29.700 -0.019 0.000 0.750 628 E HN 0.700 nan 8.360 nan 0.000 0.458 629 L N 1.188 122.464 121.223 0.089 0.000 2.046 629 L HA -0.139 4.202 4.340 0.001 0.000 0.208 629 L C 2.193 179.181 176.870 0.196 0.000 1.077 629 L CA 1.860 56.794 54.840 0.157 0.000 0.747 629 L CB -0.908 41.227 42.059 0.126 0.000 0.896 629 L HN 0.009 nan 8.230 nan 0.000 0.432 630 T N -0.511 114.131 114.554 0.147 0.000 2.708 630 T HA -0.241 4.110 4.350 0.001 0.000 0.266 630 T C 1.897 176.654 174.700 0.094 0.000 1.037 630 T CA 1.845 64.032 62.100 0.145 0.000 1.146 630 T CB -0.191 68.809 68.868 0.220 0.000 0.865 630 T HN 0.332 nan 8.240 nan 0.000 0.435 631 K N 0.003 120.409 120.400 0.010 0.000 2.057 631 K HA -0.095 4.226 4.320 0.001 0.000 0.207 631 K C 2.048 178.660 176.600 0.021 0.000 1.049 631 K CA 1.109 57.299 56.287 -0.162 0.000 0.931 631 K CB -0.321 31.952 32.500 -0.379 0.000 0.714 631 K HN 0.264 nan 8.250 nan 0.000 0.440 632 F N 1.607 121.538 119.950 -0.031 0.000 2.069 632 F HA -0.186 4.342 4.527 0.002 0.000 0.298 632 F C 1.631 177.479 175.800 0.080 0.000 1.113 632 F CA 1.539 59.559 58.000 0.032 0.000 1.214 632 F CB -0.386 38.626 39.000 0.019 0.000 0.978 632 F HN -0.036 nan 8.300 nan 0.000 0.474 633 L N -0.672 120.545 121.223 -0.010 0.000 2.017 633 L HA -0.247 4.094 4.340 0.001 0.000 0.208 633 L C 2.465 179.318 176.870 -0.029 0.000 1.073 633 L CA 0.661 55.441 54.840 -0.100 0.000 0.745 633 L CB -0.883 41.188 42.059 0.020 0.000 0.894 633 L HN 0.198 nan 8.230 nan 0.000 0.432 634 L N 0.221 121.497 121.223 0.087 0.000 1.989 634 L HA -0.158 4.183 4.340 0.001 0.000 0.211 634 L C 2.611 179.631 176.870 0.249 0.000 1.071 634 L CA 2.230 57.196 54.840 0.209 0.000 0.749 634 L CB -1.801 40.423 42.059 0.275 0.000 0.890 634 L HN 0.250 nan 8.230 nan 0.000 0.431 635 G N -0.953 108.030 108.800 0.306 0.000 2.491 635 G HA2 -0.278 3.682 3.960 0.001 0.000 0.218 635 G HA3 -0.278 3.682 3.960 0.001 0.000 0.218 635 G C 1.722 176.660 174.900 0.064 0.000 1.180 635 G CA 0.517 45.772 45.100 0.258 0.000 0.774 635 G HN 0.241 nan 8.290 nan 0.000 0.562 636 R N 0.713 121.161 120.500 -0.086 0.000 2.092 636 R HA 0.089 4.430 4.340 0.001 0.000 0.231 636 R C 2.890 179.182 176.300 -0.014 0.000 1.119 636 R CA 1.175 57.202 56.100 -0.122 0.000 0.970 636 R CB -1.055 29.042 30.300 -0.338 0.000 0.864 636 R HN 0.372 nan 8.270 nan 0.000 0.440 637 A N 1.048 123.887 122.820 0.030 0.000 1.969 637 A HA -0.043 4.277 4.320 0.001 0.000 0.218 637 A C 2.254 179.997 177.584 0.265 0.000 1.169 637 A CA 0.900 53.006 52.037 0.115 0.000 0.635 637 A CB -0.399 18.643 19.000 0.071 0.000 0.810 637 A HN 0.179 nan 8.150 nan 0.000 0.445 638 L N -1.213 120.156 121.223 0.244 0.000 2.395 638 L HA -0.023 4.318 4.340 0.001 0.000 0.218 638 L C 2.670 179.637 176.870 0.161 0.000 1.130 638 L CA 0.674 55.635 54.840 0.202 0.000 0.826 638 L CB -0.200 41.898 42.059 0.065 0.000 0.941 638 L HN 0.433 nan 8.230 nan 0.000 0.451 639 A N -1.075 121.829 122.820 0.139 0.000 2.147 639 A HA 0.022 4.342 4.320 0.001 0.000 0.211 639 A C 0.805 178.518 177.584 0.213 0.000 1.160 639 A CA 0.315 52.438 52.037 0.144 0.000 0.781 639 A CB -0.009 19.035 19.000 0.073 0.000 0.842 639 A HN 0.341 nan 8.150 nan 0.000 0.475 640 N N -0.484 118.282 118.700 0.110 0.000 2.533 640 N HA 0.187 4.927 4.740 0.001 0.000 0.289 640 N C 0.225 175.590 175.510 -0.242 0.000 1.103 640 N CA -0.390 52.588 53.050 -0.119 0.000 0.877 640 N CB 1.264 39.699 38.487 -0.086 0.000 1.419 640 N HN 0.226 nan 8.380 nan 0.000 0.517 641 R N 2.544 122.633 120.500 -0.685 0.000 2.152 641 R HA -0.073 4.267 4.340 0.001 0.000 0.232 641 R C 1.629 177.742 176.300 -0.312 0.000 1.117 641 R CA 1.323 57.049 56.100 -0.623 0.000 0.981 641 R CB 0.275 29.917 30.300 -1.097 0.000 0.870 641 R HN 0.521 nan 8.270 nan 0.000 0.451 642 K N 0.298 120.529 120.400 -0.283 0.000 2.057 642 K HA -0.109 4.212 4.320 0.001 0.000 0.206 642 K C 1.884 178.506 176.600 0.037 0.000 1.050 642 K CA 1.135 57.332 56.287 -0.150 0.000 0.935 642 K CB 0.058 32.420 32.500 -0.229 0.000 0.715 642 K HN 0.055 nan 8.250 nan 0.000 0.439 643 I N 1.139 121.712 120.570 0.004 0.000 2.179 643 I HA -0.152 4.019 4.170 0.001 0.000 0.242 643 I C 2.491 178.665 176.117 0.096 0.000 1.088 643 I CA 1.676 63.040 61.300 0.108 0.000 1.357 643 I CB -1.871 36.158 38.000 0.048 0.000 1.051 643 I HN 0.370 nan 8.210 nan 0.000 0.409 644 G N 0.143 108.971 108.800 0.045 0.000 2.476 644 G HA2 -0.369 3.591 3.960 0.001 0.000 0.218 644 G HA3 -0.369 3.591 3.960 0.001 0.000 0.218 644 G C 1.659 176.511 174.900 -0.080 0.000 1.164 644 G CA 1.590 46.652 45.100 -0.063 0.000 0.768 644 G HN 0.505 nan 8.290 nan 0.000 0.560 645 H N -0.001 119.090 119.070 0.034 0.000 2.265 645 H HA -0.102 4.454 4.556 0.000 0.000 0.295 645 H C 2.275 177.526 175.328 -0.129 0.000 1.084 645 H CA 2.229 58.249 56.048 -0.047 0.000 1.261 645 H CB -0.369 29.276 29.762 -0.195 0.000 1.360 645 H HN 0.340 nan 8.280 nan 0.000 0.487 646 F N -0.467 119.602 119.950 0.198 0.000 2.234 646 F HA -0.060 4.469 4.527 0.003 0.000 0.299 646 F C 2.384 178.070 175.800 -0.189 0.000 1.087 646 F CA 0.758 58.772 58.000 0.023 0.000 1.340 646 F CB -0.588 38.529 39.000 0.196 0.000 1.031 646 F HN 0.232 nan 8.300 nan 0.000 0.500 647 L N -0.290 120.973 121.223 0.068 0.000 2.012 647 L HA -0.226 4.115 4.340 0.001 0.000 0.210 647 L C 2.294 179.055 176.870 -0.181 0.000 1.073 647 L CA 1.678 56.499 54.840 -0.032 0.000 0.748 647 L CB -1.129 40.868 42.059 -0.104 0.000 0.891 647 L HN 0.179 nan 8.230 nan 0.000 0.431 648 F N -0.924 118.766 119.950 -0.434 0.000 2.069 648 F HA -0.273 4.255 4.527 0.002 0.000 0.298 648 F C 1.923 177.454 175.800 -0.449 0.000 1.113 648 F CA 2.014 59.686 58.000 -0.548 0.000 1.214 648 F CB -0.732 37.799 39.000 -0.781 0.000 0.978 648 F HN 0.143 nan 8.300 nan 0.000 0.474 649 W N -0.244 120.881 121.300 -0.291 0.000 2.388 649 W HA -0.177 4.482 4.660 -0.000 0.000 0.294 649 W C 2.743 179.127 176.519 -0.225 0.000 1.212 649 W CA 1.186 58.349 57.345 -0.303 0.000 1.271 649 W CB -0.580 28.749 29.460 -0.217 0.000 1.126 649 W HN 0.079 nan 8.180 nan 0.000 0.535 650 H N 0.135 119.269 119.070 0.106 0.000 2.352 650 H HA -0.145 4.412 4.556 0.002 0.000 0.299 650 H C 2.132 177.401 175.328 -0.098 0.000 1.097 650 H CA 1.705 57.770 56.048 0.029 0.000 1.311 650 H CB -0.929 28.833 29.762 0.001 0.000 1.377 650 H HN 0.238 nan 8.280 nan 0.000 0.504 651 L N -0.037 121.070 121.223 -0.193 0.000 2.044 651 L HA -0.094 4.247 4.340 0.001 0.000 0.205 651 L C 2.759 179.533 176.870 -0.160 0.000 1.075 651 L CA 0.992 55.631 54.840 -0.335 0.000 0.747 651 L CB -0.339 41.398 42.059 -0.536 0.000 0.903 651 L HN 0.069 nan 8.230 nan 0.000 0.435 652 R N 1.140 121.375 120.500 -0.443 0.000 2.105 652 R HA -0.172 4.169 4.340 0.001 0.000 0.239 652 R C 2.429 178.748 176.300 0.032 0.000 1.135 652 R CA 1.926 57.804 56.100 -0.371 0.000 0.967 652 R CB -0.793 28.995 30.300 -0.853 0.000 0.861 652 R HN 0.505 nan 8.270 nan 0.000 0.442 653 S N -0.348 115.439 115.700 0.146 0.000 2.500 653 S HA -0.074 4.396 4.470 0.001 0.000 0.239 653 S C 0.809 175.580 174.600 0.286 0.000 0.989 653 S CA 1.134 59.479 58.200 0.243 0.000 0.951 653 S CB -0.163 63.182 63.200 0.242 0.000 0.759 653 S HN 0.528 nan 8.310 nan 0.000 0.523 654 E N -0.002 120.329 120.200 0.219 0.000 2.558 654 E HA 0.267 4.617 4.350 0.001 0.000 0.205 654 E C 0.492 177.070 176.600 -0.036 0.000 1.006 654 E CA -0.299 56.151 56.400 0.084 0.000 0.961 654 E CB 0.139 29.920 29.700 0.134 0.000 1.044 654 E HN 0.422 nan 8.360 nan 0.000 0.465 655 M N 0.889 120.556 119.600 0.112 0.000 2.619 655 M HA -0.046 4.435 4.480 0.001 0.000 0.251 655 M C 1.682 178.011 176.300 0.048 0.000 1.106 655 M CA 1.136 56.478 55.300 0.071 0.000 1.086 655 M CB -0.631 32.029 32.600 0.099 0.000 1.465 655 M HN 0.294 nan 8.290 nan 0.000 0.506 656 H N -1.335 117.755 119.070 0.032 0.000 2.551 656 H HA 0.270 4.826 4.556 0.000 0.000 0.271 656 H C -0.150 175.189 175.328 0.018 0.000 0.984 656 H CA 0.005 56.070 56.048 0.028 0.000 1.164 656 H CB -0.388 29.396 29.762 0.037 0.000 1.437 656 H HN 0.028 nan 8.280 nan 0.000 0.550 657 V N 4.409 124.016 119.914 -0.511 0.000 2.339 657 V HA 0.113 4.234 4.120 0.001 0.000 0.261 657 V C -1.416 174.580 176.094 -0.163 0.000 1.058 657 V CA -1.189 60.906 62.300 -0.342 0.000 0.897 657 V CB 1.524 33.105 31.823 -0.404 0.000 1.052 657 V HN 0.166 nan 8.190 nan 0.000 0.480 658 P HA -0.145 nan 4.420 nan 0.000 0.221 658 P C 1.699 179.069 177.300 0.117 0.000 1.145 658 P CA 1.434 64.583 63.100 0.081 0.000 0.795 658 P CB 0.171 31.994 31.700 0.205 0.000 0.775 659 S N -1.165 114.514 115.700 -0.036 0.000 2.428 659 S HA -0.064 4.407 4.470 0.001 0.000 0.230 659 S C 1.682 176.134 174.600 -0.246 0.000 1.014 659 S CA 1.194 59.270 58.200 -0.207 0.000 0.957 659 S CB -1.387 61.464 63.200 -0.582 0.000 0.784 659 S HN 0.188 nan 8.310 nan 0.000 0.499 660 V N -2.366 117.338 119.914 -0.349 0.000 3.645 660 V HA 0.641 4.762 4.120 0.001 0.000 0.275 660 V C 2.338 178.171 176.094 -0.435 0.000 1.356 660 V CA 0.178 62.124 62.300 -0.590 0.000 1.051 660 V CB -0.738 30.393 31.823 -1.153 0.000 0.828 660 V HN 0.402 nan 8.190 nan 0.000 0.441 661 A N 1.652 124.344 122.820 -0.213 0.000 1.903 661 A HA -0.219 4.101 4.320 0.001 0.000 0.219 661 A C 2.106 179.698 177.584 0.013 0.000 1.191 661 A CA 2.628 54.623 52.037 -0.069 0.000 0.638 661 A CB -0.609 18.378 19.000 -0.023 0.000 0.823 661 A HN 0.657 nan 8.150 nan 0.000 0.451 662 L N -0.416 120.806 121.223 -0.001 0.000 2.005 662 L HA -0.077 4.263 4.340 0.001 0.000 0.207 662 L C 2.468 179.301 176.870 -0.062 0.000 1.072 662 L CA 2.489 57.353 54.840 0.039 0.000 0.744 662 L CB -0.707 41.360 42.059 0.013 0.000 0.895 662 L HN 0.476 nan 8.230 nan 0.000 0.433 663 R N -1.102 119.329 120.500 -0.115 0.000 2.115 663 R HA -0.245 4.096 4.340 0.001 0.000 0.239 663 R C 2.263 178.626 176.300 0.104 0.000 1.133 663 R CA 2.437 58.474 56.100 -0.105 0.000 0.935 663 R CB -0.574 29.679 30.300 -0.080 0.000 0.853 663 R HN 0.365 nan 8.270 nan 0.000 0.433 664 F N 0.303 120.191 119.950 -0.104 0.000 2.171 664 F HA 0.015 4.542 4.527 0.000 0.000 0.300 664 F C 2.511 178.289 175.800 -0.037 0.000 1.090 664 F CA 1.126 59.082 58.000 -0.073 0.000 1.293 664 F CB -1.433 37.521 39.000 -0.076 0.000 1.013 664 F HN 0.272 nan 8.300 nan 0.000 0.486 665 G N 0.308 109.231 108.800 0.205 0.000 2.446 665 G HA2 -0.229 3.731 3.960 0.001 0.000 0.217 665 G HA3 -0.229 3.731 3.960 0.001 0.000 0.217 665 G C 1.901 176.905 174.900 0.174 0.000 1.168 665 G CA 0.849 46.095 45.100 0.244 0.000 0.771 665 G HN 0.341 nan 8.290 nan 0.000 0.551 666 L N 0.037 121.220 121.223 -0.066 0.000 2.093 666 L HA -0.001 4.340 4.340 0.001 0.000 0.208 666 L C 2.870 179.809 176.870 0.115 0.000 1.085 666 L CA 0.620 55.333 54.840 -0.210 0.000 0.755 666 L CB -0.338 41.375 42.059 -0.578 0.000 0.904 666 L HN 0.221 nan 8.230 nan 0.000 0.435 667 I N -0.707 119.938 120.570 0.124 0.000 2.226 667 I HA -0.320 3.851 4.170 0.001 0.000 0.245 667 I C 2.577 178.812 176.117 0.197 0.000 1.100 667 I CA 1.446 62.875 61.300 0.215 0.000 1.374 667 I CB -0.221 37.847 38.000 0.114 0.000 1.057 667 I HN 0.255 nan 8.210 nan 0.000 0.413 668 M N 0.090 119.779 119.600 0.148 0.000 2.117 668 M HA -0.225 4.255 4.480 0.001 0.000 0.262 668 M C 2.316 178.770 176.300 0.256 0.000 1.065 668 M CA 1.719 57.143 55.300 0.206 0.000 1.114 668 M CB -0.498 32.187 32.600 0.142 0.000 1.361 668 M HN 0.225 nan 8.290 nan 0.000 0.408 669 E N 0.868 121.203 120.200 0.224 0.000 2.033 669 E HA -0.258 4.092 4.350 0.001 0.000 0.199 669 E C 1.949 178.657 176.600 0.179 0.000 1.011 669 E CA 1.825 58.350 56.400 0.209 0.000 0.815 669 E CB -0.086 29.751 29.700 0.228 0.000 0.755 669 E HN 0.463 nan 8.360 nan 0.000 0.451 670 A N 0.177 123.116 122.820 0.198 0.000 1.908 670 A HA -0.233 4.088 4.320 0.001 0.000 0.218 670 A C 2.134 179.815 177.584 0.162 0.000 1.181 670 A CA 1.726 53.861 52.037 0.162 0.000 0.627 670 A CB -1.159 17.941 19.000 0.166 0.000 0.818 670 A HN 0.640 nan 8.150 nan 0.000 0.445 671 Y N 0.377 120.737 120.300 0.100 0.000 2.114 671 Y HA -0.335 4.215 4.550 0.001 0.000 0.282 671 Y C 2.651 178.585 175.900 0.057 0.000 1.165 671 Y CA 1.613 59.762 58.100 0.083 0.000 1.148 671 Y CB -0.921 37.593 38.460 0.090 0.000 0.972 671 Y HN 0.404 nan 8.280 nan 0.000 0.504 672 C N 0.911 120.219 119.300 0.014 0.000 2.413 672 C HA -0.196 4.265 4.460 0.001 0.000 0.276 672 C C 2.680 177.603 174.990 -0.112 0.000 1.248 672 C CA 1.196 60.160 59.018 -0.089 0.000 1.742 672 C CB -1.145 26.609 27.740 0.023 0.000 2.017 672 C HN 0.519 nan 8.230 nan 0.000 0.481 673 R N 0.696 121.170 120.500 -0.043 0.000 2.127 673 R HA -0.087 4.254 4.340 0.001 0.000 0.238 673 R C 2.314 178.561 176.300 -0.088 0.000 1.134 673 R CA 1.668 57.745 56.100 -0.039 0.000 0.975 673 R CB -1.272 29.029 30.300 0.002 0.000 0.865 673 R HN 0.646 nan 8.270 nan 0.000 0.447 674 G N -0.738 107.975 108.800 -0.145 0.000 2.623 674 G HA2 -0.094 3.866 3.960 0.001 0.000 0.214 674 G HA3 -0.094 3.866 3.960 0.001 0.000 0.214 674 G C 0.386 175.141 174.900 -0.243 0.000 1.138 674 G CA 0.169 45.156 45.100 -0.188 0.000 0.794 674 G HN 0.254 nan 8.290 nan 0.000 0.535 675 S N -0.715 114.799 115.700 -0.309 0.000 2.413 675 S HA 0.351 4.822 4.470 0.001 0.000 0.170 675 S C 1.172 175.707 174.600 -0.108 0.000 1.294 675 S CA -0.306 57.768 58.200 -0.210 0.000 1.201 675 S CB 0.334 63.386 63.200 -0.246 0.000 1.328 675 S HN 0.072 nan 8.310 nan 0.000 0.418 676 T N 2.840 117.368 114.554 -0.043 0.000 2.665 676 T HA -0.175 4.176 4.350 0.001 0.000 0.268 676 T C 1.660 176.378 174.700 0.030 0.000 1.035 676 T CA 1.664 63.757 62.100 -0.011 0.000 1.151 676 T CB -0.434 68.438 68.868 0.006 0.000 0.862 676 T HN 0.768 nan 8.240 nan 0.000 0.438 677 H N 0.198 119.274 119.070 0.009 0.000 2.321 677 H HA -0.098 4.460 4.556 0.003 0.000 0.300 677 H C 2.258 177.644 175.328 0.096 0.000 1.087 677 H CA 1.887 57.966 56.048 0.051 0.000 1.319 677 H CB -0.421 29.387 29.762 0.077 0.000 1.379 677 H HN 0.580 nan 8.280 nan 0.000 0.501 678 H N -0.083 119.035 119.070 0.079 0.000 2.423 678 H HA -0.108 4.448 4.556 0.001 0.000 0.297 678 H C 2.642 177.906 175.328 -0.106 0.000 1.075 678 H CA 0.858 56.920 56.048 0.022 0.000 1.342 678 H CB 0.124 29.938 29.762 0.087 0.000 1.395 678 H HN 0.342 nan 8.280 nan 0.000 0.530 679 M N 0.957 120.481 119.600 -0.126 0.000 2.088 679 M HA -0.255 4.226 4.480 0.001 0.000 0.256 679 M C 2.028 178.194 176.300 -0.223 0.000 1.071 679 M CA 1.955 57.121 55.300 -0.223 0.000 1.097 679 M CB -0.066 32.456 32.600 -0.130 0.000 1.315 679 M HN 0.144 nan 8.290 nan 0.000 0.406 680 K N -0.552 119.745 120.400 -0.171 0.000 2.057 680 K HA -0.108 4.212 4.320 0.001 0.000 0.206 680 K C 1.781 178.290 176.600 -0.153 0.000 1.050 680 K CA 1.531 57.722 56.287 -0.159 0.000 0.935 680 K CB -0.211 32.184 32.500 -0.175 0.000 0.715 680 K HN 0.269 nan 8.250 nan 0.000 0.439 681 V N 1.783 121.601 119.914 -0.161 0.000 2.324 681 V HA -0.272 3.849 4.120 0.001 0.000 0.250 681 V C 2.105 178.158 176.094 -0.067 0.000 1.060 681 V CA 1.727 63.997 62.300 -0.050 0.000 1.042 681 V CB -0.408 31.486 31.823 0.119 0.000 0.650 681 V HN 0.284 nan 8.190 nan 0.000 0.450 682 L N -1.537 119.537 121.223 -0.249 0.000 2.156 682 L HA -0.127 4.213 4.340 0.001 0.000 0.208 682 L C 2.471 179.213 176.870 -0.213 0.000 1.095 682 L CA 1.254 55.867 54.840 -0.378 0.000 0.770 682 L CB -0.470 40.972 42.059 -1.028 0.000 0.914 682 L HN 0.285 nan 8.230 nan 0.000 0.439 683 M N -0.628 118.865 119.600 -0.177 0.000 2.117 683 M HA -0.199 4.281 4.480 0.001 0.000 0.262 683 M C 2.364 178.659 176.300 -0.009 0.000 1.065 683 M CA 1.491 56.746 55.300 -0.074 0.000 1.114 683 M CB -0.325 32.232 32.600 -0.071 0.000 1.361 683 M HN 0.070 nan 8.290 nan 0.000 0.408 684 K N 0.720 121.114 120.400 -0.009 0.000 2.063 684 K HA -0.193 4.128 4.320 0.001 0.000 0.208 684 K C 1.824 178.463 176.600 0.064 0.000 1.048 684 K CA 1.796 58.098 56.287 0.026 0.000 0.928 684 K CB -0.341 32.178 32.500 0.031 0.000 0.713 684 K HN 0.496 nan 8.250 nan 0.000 0.442 685 Q N -1.207 118.660 119.800 0.111 0.000 2.084 685 Q HA -0.093 4.247 4.340 0.001 0.000 0.202 685 Q C 2.105 178.255 176.000 0.249 0.000 0.978 685 Q CA 1.559 57.486 55.803 0.206 0.000 0.844 685 Q CB -0.305 28.668 28.738 0.392 0.000 0.898 685 Q HN 0.454 nan 8.270 nan 0.000 0.426 686 G N 0.863 109.826 108.800 0.270 0.000 2.422 686 G HA2 -0.271 3.690 3.960 0.001 0.000 0.218 686 G HA3 -0.271 3.690 3.960 0.001 0.000 0.218 686 G C 1.019 176.002 174.900 0.138 0.000 1.146 686 G CA 0.793 46.057 45.100 0.274 0.000 0.769 686 G HN 0.334 nan 8.290 nan 0.000 0.547 687 E N 0.560 120.804 120.200 0.073 0.000 2.110 687 E HA 0.003 4.354 4.350 0.001 0.000 0.193 687 E C 2.873 179.462 176.600 -0.018 0.000 0.988 687 E CA 0.726 57.134 56.400 0.014 0.000 0.804 687 E CB -0.158 29.539 29.700 -0.005 0.000 0.745 687 E HN 0.422 nan 8.360 nan 0.000 0.458 688 A N 1.082 123.907 122.820 0.008 0.000 1.898 688 A HA -0.124 4.197 4.320 0.001 0.000 0.216 688 A C 2.166 179.713 177.584 -0.061 0.000 1.181 688 A CA 0.934 52.958 52.037 -0.021 0.000 0.620 688 A CB -0.506 18.503 19.000 0.016 0.000 0.819 688 A HN 0.128 nan 8.150 nan 0.000 0.442 689 L N -0.715 120.504 121.223 -0.007 0.000 2.093 689 L HA -0.129 4.211 4.340 0.001 0.000 0.208 689 L C 2.924 179.768 176.870 -0.042 0.000 1.085 689 L CA 1.364 56.195 54.840 -0.015 0.000 0.755 689 L CB -0.347 41.786 42.059 0.124 0.000 0.904 689 L HN 0.520 nan 8.230 nan 0.000 0.435 690 S N -0.231 115.467 115.700 -0.003 0.000 2.368 690 S HA -0.178 4.293 4.470 0.001 0.000 0.225 690 S C 2.124 176.671 174.600 -0.088 0.000 1.030 690 S CA 1.184 59.376 58.200 -0.014 0.000 0.999 690 S CB -0.002 63.196 63.200 -0.002 0.000 0.844 690 S HN 0.244 nan 8.310 nan 0.000 0.459 691 K N 0.870 121.173 120.400 -0.161 0.000 2.057 691 K HA 0.038 4.359 4.320 0.001 0.000 0.206 691 K C 2.158 178.683 176.600 -0.125 0.000 1.050 691 K CA 0.983 57.123 56.287 -0.244 0.000 0.935 691 K CB -0.717 31.530 32.500 -0.422 0.000 0.715 691 K HN 0.434 nan 8.250 nan 0.000 0.439 692 L N 1.021 122.084 121.223 -0.267 0.000 2.042 692 L HA -0.213 4.128 4.340 0.001 0.000 0.210 692 L C 2.524 179.083 176.870 -0.518 0.000 1.076 692 L CA 1.176 55.693 54.840 -0.538 0.000 0.749 692 L CB -0.442 40.975 42.059 -1.071 0.000 0.893 692 L HN 0.074 nan 8.230 nan 0.000 0.432 693 K N 0.719 120.940 120.400 -0.299 0.000 2.063 693 K HA -0.152 4.169 4.320 0.001 0.000 0.208 693 K C 1.968 178.633 176.600 0.108 0.000 1.048 693 K CA 1.734 58.078 56.287 0.094 0.000 0.928 693 K CB -0.351 32.244 32.500 0.159 0.000 0.713 693 K HN 0.236 nan 8.250 nan 0.000 0.442 694 A N 0.247 123.110 122.820 0.072 0.000 1.929 694 A HA -0.036 4.285 4.320 0.001 0.000 0.216 694 A C 2.107 179.799 177.584 0.181 0.000 1.176 694 A CA 1.349 53.465 52.037 0.132 0.000 0.628 694 A CB -0.613 18.468 19.000 0.135 0.000 0.816 694 A HN 0.343 nan 8.150 nan 0.000 0.444 695 L N 0.281 121.609 121.223 0.175 0.000 2.093 695 L HA -0.095 4.246 4.340 0.001 0.000 0.208 695 L C 1.982 178.947 176.870 0.159 0.000 1.085 695 L CA 2.069 56.997 54.840 0.146 0.000 0.755 695 L CB -0.660 41.469 42.059 0.117 0.000 0.904 695 L HN 0.407 nan 8.230 nan 0.000 0.435 696 N N -0.296 118.500 118.700 0.159 0.000 2.244 696 N HA -0.180 4.561 4.740 0.001 0.000 0.183 696 N C 1.397 176.990 175.510 0.140 0.000 1.016 696 N CA 1.291 54.460 53.050 0.198 0.000 0.866 696 N CB -0.092 38.623 38.487 0.381 0.000 0.980 696 N HN 0.375 nan 8.380 nan 0.000 0.430 697 D N -0.387 120.101 120.400 0.147 0.000 2.117 697 D HA -0.128 4.513 4.640 0.001 0.000 0.198 697 D C 1.647 177.990 176.300 0.072 0.000 0.982 697 D CA 0.534 54.595 54.000 0.101 0.000 0.828 697 D CB -0.516 40.349 40.800 0.108 0.000 0.967 697 D HN 0.308 nan 8.370 nan 0.000 0.464 698 F N 1.285 121.226 119.950 -0.016 0.000 2.126 698 F HA -0.226 4.302 4.527 0.002 0.000 0.299 698 F C 2.109 177.844 175.800 -0.109 0.000 1.096 698 F CA 1.113 59.082 58.000 -0.052 0.000 1.255 698 F CB -0.193 38.773 39.000 -0.056 0.000 0.997 698 F HN -0.208 nan 8.300 nan 0.000 0.479 699 V N 0.786 120.674 119.914 -0.043 0.000 2.343 699 V HA -0.306 3.814 4.120 0.001 0.000 0.247 699 V C 2.351 178.217 176.094 -0.379 0.000 1.051 699 V CA 2.273 64.386 62.300 -0.312 0.000 1.036 699 V CB -0.699 30.921 31.823 -0.338 0.000 0.654 699 V HN 0.298 nan 8.190 nan 0.000 0.451 700 K N -0.469 119.809 120.400 -0.203 0.000 2.097 700 K HA -0.133 4.188 4.320 0.001 0.000 0.206 700 K C 2.018 178.516 176.600 -0.170 0.000 1.049 700 K CA 1.360 57.563 56.287 -0.139 0.000 0.933 700 K CB -0.315 32.156 32.500 -0.049 0.000 0.717 700 K HN 0.331 nan 8.250 nan 0.000 0.442 701 V N 0.419 120.198 119.914 -0.225 0.000 2.255 701 V HA -0.236 3.885 4.120 0.001 0.000 0.243 701 V C 2.350 178.256 176.094 -0.313 0.000 1.038 701 V CA 1.996 64.155 62.300 -0.235 0.000 1.008 701 V CB -0.437 31.251 31.823 -0.224 0.000 0.645 701 V HN 0.371 nan 8.190 nan 0.000 0.449 702 S N 1.017 116.388 115.700 -0.548 0.000 2.374 702 S HA -0.244 4.226 4.470 0.001 0.000 0.227 702 S C 2.161 176.590 174.600 -0.285 0.000 1.037 702 S CA 2.436 60.323 58.200 -0.522 0.000 1.024 702 S CB -0.520 62.154 63.200 -0.876 0.000 0.861 702 S HN 0.803 nan 8.310 nan 0.000 0.456 703 S N 0.076 115.614 115.700 -0.270 0.000 2.515 703 S HA 0.036 4.507 4.470 0.001 0.000 0.231 703 S C 1.665 176.236 174.600 -0.050 0.000 0.987 703 S CA 0.596 58.725 58.200 -0.118 0.000 0.936 703 S CB -0.442 62.694 63.200 -0.106 0.000 0.766 703 S HN 0.712 nan 8.310 nan 0.000 0.528 704 Q N 0.324 120.074 119.800 -0.084 0.000 2.424 704 Q HA 0.216 4.556 4.340 0.001 0.000 0.204 704 Q C 0.994 176.966 176.000 -0.047 0.000 0.933 704 Q CA 0.578 56.352 55.803 -0.050 0.000 0.929 704 Q CB 0.126 28.831 28.738 -0.055 0.000 1.037 704 Q HN 0.553 nan 8.270 nan 0.000 0.511 705 K N -0.881 119.480 120.400 -0.064 0.000 2.483 705 K HA 0.190 4.510 4.320 0.001 0.000 0.206 705 K C -0.318 176.257 176.600 -0.042 0.000 1.086 705 K CA 0.046 56.302 56.287 -0.053 0.000 1.052 705 K CB 1.716 34.175 32.500 -0.068 0.000 0.904 705 K HN -0.131 nan 8.250 nan 0.000 0.557 706 T N -0.198 114.335 114.554 -0.035 0.000 2.749 706 T HA 0.164 4.515 4.350 0.001 0.000 0.310 706 T C -1.336 173.369 174.700 0.007 0.000 1.496 706 T CA -0.626 61.464 62.100 -0.017 0.000 1.006 706 T CB 1.337 70.191 68.868 -0.024 0.000 1.457 706 T HN 0.168 nan 8.240 nan 0.000 0.497 707 T N 0.186 114.750 114.554 0.017 0.000 2.899 707 T HA 0.393 4.744 4.350 0.001 0.000 0.284 707 T C 1.361 176.101 174.700 0.066 0.000 1.004 707 T CA -0.347 61.772 62.100 0.031 0.000 1.043 707 T CB 1.184 70.059 68.868 0.013 0.000 1.013 707 T HN 0.787 nan 8.240 nan 0.000 0.518 708 K N 1.350 121.796 120.400 0.077 0.000 2.020 708 K HA -0.093 4.228 4.320 0.001 0.000 0.212 708 K C -0.856 175.796 176.600 0.088 0.000 1.050 708 K CA 1.686 58.044 56.287 0.119 0.000 0.929 708 K CB -1.370 31.110 32.500 -0.035 0.000 0.714 708 K HN 0.451 nan 8.250 nan 0.000 0.443 709 P HA -0.187 nan 4.420 nan 0.000 0.216 709 P C 0.939 178.248 177.300 0.014 0.000 1.153 709 P CA 1.586 64.686 63.100 0.001 0.000 0.858 709 P CB -0.023 31.670 31.700 -0.011 0.000 0.789 710 Q N -1.344 118.472 119.800 0.027 0.000 2.084 710 Q HA -0.120 4.220 4.340 0.001 0.000 0.202 710 Q C 2.123 178.148 176.000 0.041 0.000 0.978 710 Q CA 2.031 57.849 55.803 0.024 0.000 0.844 710 Q CB -0.764 27.986 28.738 0.019 0.000 0.898 710 Q HN 0.241 nan 8.270 nan 0.000 0.426 711 T N 0.643 115.241 114.554 0.072 0.000 2.821 711 T HA -0.138 4.212 4.350 0.001 0.000 0.267 711 T C 1.611 176.371 174.700 0.100 0.000 1.046 711 T CA 1.095 63.236 62.100 0.069 0.000 1.139 711 T CB -0.078 68.789 68.868 -0.002 0.000 0.871 711 T HN 0.216 nan 8.240 nan 0.000 0.454 712 K N 1.045 121.521 120.400 0.127 0.000 2.009 712 K HA -0.171 4.150 4.320 0.001 0.000 0.210 712 K C 2.343 178.752 176.600 -0.318 0.000 1.049 712 K CA 1.672 57.948 56.287 -0.020 0.000 0.929 712 K CB -0.127 32.341 32.500 -0.054 0.000 0.714 712 K HN 0.345 nan 8.250 nan 0.000 0.440 713 E N -0.357 119.718 120.200 -0.208 0.000 2.153 713 E HA -0.183 4.168 4.350 0.001 0.000 0.194 713 E C 1.986 178.552 176.600 -0.057 0.000 0.988 713 E CA 1.043 57.343 56.400 -0.167 0.000 0.811 713 E CB 0.134 29.797 29.700 -0.060 0.000 0.746 713 E HN 0.282 nan 8.360 nan 0.000 0.466 714 M N -0.081 119.525 119.600 0.010 0.000 2.099 714 M HA -0.146 4.335 4.480 0.001 0.000 0.262 714 M C 2.382 178.652 176.300 -0.050 0.000 1.067 714 M CA 1.267 56.603 55.300 0.060 0.000 1.124 714 M CB -0.935 31.846 32.600 0.303 0.000 1.353 714 M HN 0.308 nan 8.290 nan 0.000 0.410 715 M N -0.298 119.323 119.600 0.035 0.000 2.082 715 M HA -0.272 4.209 4.480 0.001 0.000 0.258 715 M C 2.142 178.458 176.300 0.027 0.000 1.069 715 M CA 1.902 57.203 55.300 0.001 0.000 1.102 715 M CB -0.476 32.196 32.600 0.121 0.000 1.336 715 M HN 0.349 nan 8.290 nan 0.000 0.404 716 H N -0.574 118.458 119.070 -0.063 0.000 2.352 716 H HA -0.172 4.385 4.556 0.001 0.000 0.299 716 H C 2.137 177.392 175.328 -0.122 0.000 1.097 716 H CA 1.703 57.708 56.048 -0.073 0.000 1.311 716 H CB -0.187 29.559 29.762 -0.027 0.000 1.377 716 H HN 0.476 nan 8.280 nan 0.000 0.504 717 M N -0.149 119.449 119.600 -0.003 0.000 2.159 717 M HA -0.183 4.297 4.480 0.001 0.000 0.263 717 M C 2.833 179.010 176.300 -0.206 0.000 1.063 717 M CA 0.915 56.162 55.300 -0.088 0.000 1.110 717 M CB -0.295 32.253 32.600 -0.085 0.000 1.374 717 M HN 0.380 nan 8.290 nan 0.000 0.411 718 C N 0.850 119.942 119.300 -0.346 0.000 2.440 718 C HA -0.102 4.359 4.460 0.001 0.000 0.278 718 C C 2.675 177.262 174.990 -0.672 0.000 1.295 718 C CA 0.871 59.538 59.018 -0.585 0.000 1.738 718 C CB -0.621 26.619 27.740 -0.834 0.000 1.987 718 C HN 0.537 nan 8.230 nan 0.000 0.492 719 M N -0.178 119.168 119.600 -0.424 0.000 2.254 719 M HA -0.034 4.446 4.480 0.001 0.000 0.265 719 M C 2.267 178.494 176.300 -0.121 0.000 1.066 719 M CA 1.303 56.447 55.300 -0.260 0.000 1.123 719 M CB -0.412 32.110 32.600 -0.131 0.000 1.388 719 M HN 0.330 nan 8.290 nan 0.000 0.425 720 R N 0.249 120.677 120.500 -0.120 0.000 2.323 720 R HA 0.039 4.380 4.340 0.001 0.000 0.198 720 R C 0.271 176.549 176.300 -0.037 0.000 0.988 720 R CA 0.199 56.260 56.100 -0.064 0.000 1.041 720 R CB -0.168 30.100 30.300 -0.054 0.000 0.926 720 R HN 0.534 nan 8.270 nan 0.000 0.476 721 Q N 0.770 120.540 119.800 -0.051 0.000 2.330 721 Q HA -0.061 4.279 4.340 0.001 0.000 0.279 721 Q C 0.684 176.733 176.000 0.082 0.000 1.024 721 Q CA 0.159 55.972 55.803 0.016 0.000 0.900 721 Q CB 0.827 29.583 28.738 0.030 0.000 1.221 721 Q HN 0.200 nan 8.270 nan 0.000 0.396 722 E N 0.714 120.950 120.200 0.059 0.000 2.086 722 E HA -0.292 4.058 4.350 0.001 0.000 0.200 722 E C 1.915 178.557 176.600 0.069 0.000 1.012 722 E CA 2.167 58.600 56.400 0.055 0.000 0.812 722 E CB -0.044 29.679 29.700 0.037 0.000 0.743 722 E HN 0.843 nan 8.360 nan 0.000 0.453 723 T N -1.216 113.386 114.554 0.080 0.000 2.759 723 T HA -0.227 4.124 4.350 0.001 0.000 0.269 723 T C 1.764 176.458 174.700 -0.010 0.000 1.042 723 T CA 1.386 63.503 62.100 0.028 0.000 1.140 723 T CB -0.550 68.324 68.868 0.010 0.000 0.864 723 T HN 0.158 nan 8.240 nan 0.000 0.455 724 Y N 0.889 121.170 120.300 -0.031 0.000 2.206 724 Y HA 0.188 4.740 4.550 0.004 0.000 0.292 724 Y C 2.911 178.790 175.900 -0.036 0.000 1.123 724 Y CA 0.751 58.826 58.100 -0.040 0.000 1.142 724 Y CB -0.418 38.005 38.460 -0.061 0.000 1.006 724 Y HN 0.037 nan 8.280 nan 0.000 0.518 725 M N -0.019 119.658 119.600 0.128 0.000 2.149 725 M HA -0.248 4.233 4.480 0.001 0.000 0.261 725 M C 2.079 178.400 176.300 0.036 0.000 1.064 725 M CA 1.599 56.930 55.300 0.051 0.000 1.102 725 M CB -0.909 31.710 32.600 0.033 0.000 1.369 725 M HN 0.398 nan 8.290 nan 0.000 0.408 726 E N -0.224 120.004 120.200 0.046 0.000 2.051 726 E HA -0.050 4.301 4.350 0.001 0.000 0.189 726 E C 1.974 178.594 176.600 0.033 0.000 0.979 726 E CA 0.956 57.387 56.400 0.052 0.000 0.803 726 E CB 0.189 29.917 29.700 0.047 0.000 0.761 726 E HN 0.411 nan 8.360 nan 0.000 0.451 727 A N 1.070 123.885 122.820 -0.009 0.000 1.969 727 A HA -0.089 4.231 4.320 0.001 0.000 0.218 727 A C 2.068 179.649 177.584 -0.006 0.000 1.169 727 A CA 0.836 52.851 52.037 -0.036 0.000 0.635 727 A CB -0.411 18.513 19.000 -0.127 0.000 0.810 727 A HN 0.262 nan 8.150 nan 0.000 0.445 728 L N -0.307 120.925 121.223 0.014 0.000 2.591 728 L HA 0.110 4.451 4.340 0.001 0.000 0.228 728 L C 0.177 177.118 176.870 0.117 0.000 1.133 728 L CA -0.118 54.761 54.840 0.064 0.000 0.880 728 L CB 0.016 42.113 42.059 0.062 0.000 1.033 728 L HN 0.141 nan 8.230 nan 0.000 0.450 729 S N -1.360 114.355 115.700 0.025 0.000 2.532 729 S HA 0.481 4.951 4.470 0.001 0.000 0.301 729 S C -0.529 173.996 174.600 -0.125 0.000 1.083 729 S CA -0.477 57.647 58.200 -0.126 0.000 1.025 729 S CB 0.955 63.944 63.200 -0.350 0.000 1.056 729 S HN 0.290 nan 8.310 nan 0.000 0.494 730 H N 0.477 119.589 119.070 0.069 0.000 2.929 730 H HA -0.126 4.429 4.556 -0.001 0.000 0.341 730 H C -0.755 174.578 175.328 0.008 0.000 1.258 730 H CA 0.740 56.803 56.048 0.026 0.000 1.185 730 H CB -2.232 27.552 29.762 0.037 0.000 1.553 730 H HN 0.610 nan 8.280 nan 0.000 0.438 731 L N -2.312 118.927 121.223 0.026 0.000 2.359 731 L HA 0.659 4.999 4.340 0.001 0.000 0.256 731 L C 0.153 177.009 176.870 -0.024 0.000 1.026 731 L CA -1.335 53.517 54.840 0.020 0.000 0.828 731 L CB 2.018 44.083 42.059 0.010 0.000 1.406 731 L HN 0.011 nan 8.230 nan 0.000 0.413 732 Q N 0.945 120.765 119.800 0.034 0.000 2.327 732 Q HA 0.269 4.609 4.340 0.001 0.000 0.254 732 Q C -0.189 175.810 176.000 -0.000 0.000 0.952 732 Q CA -0.331 55.486 55.803 0.023 0.000 0.884 732 Q CB 1.544 30.351 28.738 0.115 0.000 1.224 732 Q HN 0.686 nan 8.270 nan 0.000 0.422 733 S N 2.443 118.109 115.700 -0.056 0.000 2.510 733 S HA 0.108 4.579 4.470 0.001 0.000 0.279 733 S C -1.780 172.833 174.600 0.021 0.000 1.284 733 S CA -1.449 56.715 58.200 -0.060 0.000 1.059 733 S CB 0.502 63.652 63.200 -0.083 0.000 0.901 733 S HN 0.374 nan 8.310 nan 0.000 0.491 734 P HA -0.065 nan 4.420 nan 0.000 0.218 734 P C 1.228 178.565 177.300 0.062 0.000 1.148 734 P CA 0.960 64.040 63.100 -0.033 0.000 0.822 734 P CB 0.060 31.456 31.700 -0.508 0.000 0.784 735 L N -1.589 119.670 121.223 0.059 0.000 2.131 735 L HA -0.067 4.274 4.340 0.001 0.000 0.210 735 L C 0.660 177.714 176.870 0.307 0.000 1.092 735 L CA 1.111 56.068 54.840 0.195 0.000 0.759 735 L CB -0.406 41.722 42.059 0.115 0.000 0.903 735 L HN 0.040 nan 8.230 nan 0.000 0.435 736 D N -1.781 118.690 120.400 0.119 0.000 2.591 736 D HA 0.125 4.766 4.640 0.001 0.000 0.222 736 D C -2.180 174.038 176.300 -0.137 0.000 1.360 736 D CA -1.584 52.465 54.000 0.081 0.000 0.967 736 D CB 1.575 42.443 40.800 0.112 0.000 1.456 736 D HN -0.285 nan 8.370 nan 0.000 0.588 737 P HA -0.093 nan 4.420 nan 0.000 0.225 737 P C 0.912 178.186 177.300 -0.043 0.000 1.148 737 P CA 0.707 63.621 63.100 -0.311 0.000 0.779 737 P CB 0.153 31.548 31.700 -0.508 0.000 0.780 738 S N -2.572 113.122 115.700 -0.009 0.000 2.558 738 S HA 0.050 4.520 4.470 0.001 0.000 0.217 738 S C 0.927 175.521 174.600 -0.009 0.000 0.975 738 S CA 0.038 58.284 58.200 0.076 0.000 0.912 738 S CB -1.153 62.100 63.200 0.088 0.000 0.776 738 S HN -0.009 nan 8.310 nan 0.000 0.526 739 T N 3.626 118.155 114.554 -0.042 0.000 2.728 739 T HA 0.462 4.813 4.350 0.001 0.000 0.296 739 T C -0.309 174.319 174.700 -0.121 0.000 0.940 739 T CA -0.379 61.675 62.100 -0.076 0.000 1.013 739 T CB 0.570 69.406 68.868 -0.052 0.000 0.912 739 T HN 0.274 nan 8.240 nan 0.000 0.484 740 L N 4.731 125.859 121.223 -0.158 0.000 2.276 740 L HA 0.440 4.781 4.340 0.001 0.000 0.286 740 L C -0.052 176.700 176.870 -0.196 0.000 1.061 740 L CA -0.667 54.065 54.840 -0.179 0.000 0.807 740 L CB 0.631 42.566 42.059 -0.207 0.000 1.177 740 L HN 0.413 nan 8.230 nan 0.000 0.429 741 L N 4.231 125.285 121.223 -0.283 0.000 2.272 741 L HA 0.285 4.626 4.340 0.001 0.000 0.284 741 L C 0.720 177.421 176.870 -0.283 0.000 1.045 741 L CA -0.375 54.124 54.840 -0.568 0.000 0.842 741 L CB 1.000 42.375 42.059 -1.139 0.000 1.224 741 L HN 0.688 nan 8.230 nan 0.000 0.430 742 E N 2.165 122.343 120.200 -0.035 0.000 2.066 742 E HA 0.103 4.453 4.350 0.001 0.000 0.207 742 E C -0.034 176.536 176.600 -0.050 0.000 0.937 742 E CA 0.340 56.762 56.400 0.037 0.000 0.906 742 E CB 0.324 30.101 29.700 0.129 0.000 0.986 742 E HN 0.480 nan 8.360 nan 0.000 0.490 743 E N 2.578 122.816 120.200 0.064 0.000 2.081 743 E HA 0.234 4.585 4.350 0.001 0.000 0.281 743 E C -0.122 176.451 176.600 -0.045 0.000 0.986 743 E CA -0.389 55.998 56.400 -0.021 0.000 0.796 743 E CB 1.544 31.251 29.700 0.013 0.000 1.085 743 E HN -0.019 nan 8.360 nan 0.000 0.398 744 V N 0.775 120.568 119.914 -0.203 0.000 2.557 744 V HA -0.056 4.064 4.120 0.001 0.000 0.301 744 V C 0.460 176.383 176.094 -0.285 0.000 1.026 744 V CA -0.728 61.268 62.300 -0.506 0.000 1.137 744 V CB -0.582 30.994 31.823 -0.413 0.000 0.917 744 V HN 0.658 nan 8.190 nan 0.000 0.484 745 C N 5.241 124.375 119.300 -0.277 0.000 2.158 745 C HA 0.306 4.766 4.460 0.001 0.000 0.350 745 C C 1.947 176.814 174.990 -0.206 0.000 1.064 745 C CA -0.813 58.102 59.018 -0.173 0.000 1.507 745 C CB -1.107 26.570 27.740 -0.105 0.000 1.934 745 C HN 0.846 nan 8.230 nan 0.000 0.479 746 V N 2.410 122.182 119.914 -0.236 0.000 2.370 746 V HA -0.245 3.876 4.120 0.001 0.000 0.252 746 V C 2.544 178.294 176.094 -0.573 0.000 1.068 746 V CA 2.323 64.408 62.300 -0.358 0.000 1.061 746 V CB -0.417 31.214 31.823 -0.319 0.000 0.656 746 V HN 0.864 nan 8.190 nan 0.000 0.455 747 E N -0.193 119.799 120.200 -0.346 0.000 2.204 747 E HA -0.178 4.173 4.350 0.001 0.000 0.194 747 E C 2.152 178.712 176.600 -0.066 0.000 0.989 747 E CA 0.991 57.253 56.400 -0.229 0.000 0.824 747 E CB -0.083 29.570 29.700 -0.078 0.000 0.756 747 E HN 0.684 nan 8.360 nan 0.000 0.477 748 Q N -1.066 118.706 119.800 -0.048 0.000 2.360 748 Q HA 0.148 4.488 4.340 0.001 0.000 0.202 748 Q C -0.269 175.829 176.000 0.164 0.000 0.915 748 Q CA -0.225 55.618 55.803 0.066 0.000 0.943 748 Q CB 0.639 29.425 28.738 0.081 0.000 1.064 748 Q HN 0.216 nan 8.270 nan 0.000 0.511 749 C N 1.116 120.486 119.300 0.116 0.000 2.466 749 C HA 0.568 5.028 4.460 0.001 0.000 0.379 749 C C 0.852 176.060 174.990 0.363 0.000 1.251 749 C CA -0.395 58.774 59.018 0.252 0.000 2.263 749 C CB 0.692 28.501 27.740 0.115 0.000 2.511 749 C HN 0.371 nan 8.230 nan 0.000 0.573 750 T N 0.512 115.276 114.554 0.352 0.000 2.612 750 T HA 0.723 5.073 4.350 0.001 0.000 0.296 750 T C -0.961 173.977 174.700 0.397 0.000 1.148 750 T CA -0.450 61.826 62.100 0.294 0.000 1.077 750 T CB 0.974 69.858 68.868 0.027 0.000 1.591 750 T HN 0.684 nan 8.240 nan 0.000 0.479 751 F N -0.687 119.325 119.950 0.104 0.000 2.643 751 F HA 0.816 5.344 4.527 0.001 0.000 0.314 751 F C -0.945 174.885 175.800 0.049 0.000 1.096 751 F CA -1.663 56.406 58.000 0.114 0.000 0.953 751 F CB 1.782 40.847 39.000 0.109 0.000 1.345 751 F HN 0.653 nan 8.300 nan 0.000 0.468 752 M N 3.207 122.789 119.600 -0.029 0.000 2.144 752 M HA 0.204 4.684 4.480 0.001 0.000 0.356 752 M C -0.059 176.161 176.300 -0.134 0.000 1.217 752 M CA -0.475 54.717 55.300 -0.180 0.000 1.087 752 M CB 0.864 33.454 32.600 -0.016 0.000 1.609 752 M HN 0.849 nan 8.290 nan 0.000 0.467 753 D N 3.709 123.924 120.400 -0.309 0.000 2.982 753 D HA 0.117 4.757 4.640 0.001 0.000 0.238 753 D C -0.902 175.429 176.300 0.052 0.000 1.168 753 D CA -0.021 53.940 54.000 -0.065 0.000 0.947 753 D CB -0.046 40.665 40.800 -0.148 0.000 1.147 753 D HN 0.387 nan 8.370 nan 0.000 0.450 754 S N -0.123 115.627 115.700 0.083 0.000 2.811 754 S HA 0.279 4.749 4.470 0.001 0.000 0.311 754 S C 0.595 175.240 174.600 0.076 0.000 1.152 754 S CA -0.834 57.402 58.200 0.060 0.000 0.864 754 S CB 2.050 65.263 63.200 0.023 0.000 1.226 754 S HN 0.022 nan 8.310 nan 0.000 0.541 755 K N 0.818 121.248 120.400 0.050 0.000 2.126 755 K HA -0.199 4.121 4.320 0.001 0.000 0.224 755 K C 1.366 177.997 176.600 0.052 0.000 0.816 755 K CA 2.212 58.525 56.287 0.043 0.000 0.984 755 K CB -0.582 31.936 32.500 0.031 0.000 0.652 755 K HN 0.528 nan 8.250 nan 0.000 0.702 756 M N 0.354 119.985 119.600 0.052 0.000 2.561 756 M HA 0.072 4.553 4.480 0.001 0.000 0.238 756 M C -0.062 176.287 176.300 0.081 0.000 1.131 756 M CA 0.374 55.703 55.300 0.047 0.000 1.046 756 M CB -0.430 32.182 32.600 0.020 0.000 1.532 756 M HN 0.251 nan 8.290 nan 0.000 0.497 757 K N -0.023 120.454 120.400 0.128 0.000 3.162 757 K HA -0.092 4.228 4.320 0.001 0.000 0.268 757 K C -2.566 174.182 176.600 0.247 0.000 1.062 757 K CA 0.095 56.516 56.287 0.223 0.000 0.769 757 K CB -1.831 30.757 32.500 0.148 0.000 1.274 757 K HN 0.247 nan 8.250 nan 0.000 0.478 758 P HA 0.033 nan 4.420 nan 0.000 0.269 758 P C 0.136 177.629 177.300 0.320 0.000 1.215 758 P CA -0.046 63.182 63.100 0.213 0.000 0.780 758 P CB 0.711 32.499 31.700 0.147 0.000 0.898 759 L N 1.764 123.204 121.223 0.362 0.000 2.360 759 L HA 0.477 4.818 4.340 0.001 0.000 0.271 759 L C 0.193 177.304 176.870 0.402 0.000 1.057 759 L CA -0.572 54.507 54.840 0.397 0.000 0.803 759 L CB 1.458 43.742 42.059 0.374 0.000 1.207 759 L HN 0.469 nan 8.230 nan 0.000 0.445 760 W N 4.856 126.261 121.300 0.175 0.000 2.475 760 W HA 0.452 5.113 4.660 0.001 0.000 0.320 760 W C -1.828 174.747 176.519 0.092 0.000 1.022 760 W CA -0.591 56.827 57.345 0.121 0.000 1.240 760 W CB 1.542 31.054 29.460 0.087 0.000 1.328 760 W HN 0.206 nan 8.180 nan 0.000 0.439 761 I N 7.843 128.394 120.570 -0.032 0.000 2.410 761 I HA 0.265 4.435 4.170 0.001 0.000 0.286 761 I C 0.110 176.131 176.117 -0.161 0.000 1.009 761 I CA -0.973 60.300 61.300 -0.045 0.000 1.111 761 I CB 1.381 39.389 38.000 0.014 0.000 1.262 761 I HN 0.274 nan 8.210 nan 0.000 0.443 762 M N 5.916 125.417 119.600 -0.164 0.000 2.409 762 M HA 0.457 4.938 4.480 0.001 0.000 0.329 762 M C -0.903 175.186 176.300 -0.352 0.000 1.180 762 M CA -0.474 54.745 55.300 -0.135 0.000 1.053 762 M CB 1.423 34.028 32.600 0.008 0.000 1.586 762 M HN 0.296 nan 8.290 nan 0.000 0.461 763 Y N -0.490 119.782 120.300 -0.046 0.000 2.545 763 Y HA 0.542 5.092 4.550 -0.001 0.000 0.348 763 Y C 0.254 176.135 175.900 -0.032 0.000 1.002 763 Y CA -0.570 57.501 58.100 -0.048 0.000 1.039 763 Y CB 2.221 40.645 38.460 -0.059 0.000 1.271 763 Y HN 0.725 nan 8.280 nan 0.000 0.467 764 S N 0.546 116.318 115.700 0.121 0.000 2.632 764 S HA 0.837 5.308 4.470 0.001 0.000 0.289 764 S C -1.035 173.611 174.600 0.076 0.000 1.115 764 S CA -0.668 57.578 58.200 0.076 0.000 0.889 764 S CB 1.916 65.139 63.200 0.038 0.000 1.116 764 S HN 0.706 nan 8.310 nan 0.000 0.486 765 S N 0.582 116.311 115.700 0.049 0.000 2.680 765 S HA 0.326 4.797 4.470 0.001 0.000 0.262 765 S C 0.184 174.797 174.600 0.021 0.000 1.138 765 S CA -0.535 57.689 58.200 0.041 0.000 1.072 765 S CB 0.937 64.151 63.200 0.024 0.000 1.097 765 S HN 0.755 nan 8.310 nan 0.000 0.468 766 E N 2.599 122.815 120.200 0.026 0.000 2.049 766 E HA -0.174 4.177 4.350 0.001 0.000 0.198 766 E C 1.648 178.249 176.600 0.003 0.000 1.007 766 E CA 1.602 58.011 56.400 0.014 0.000 0.809 766 E CB -0.017 29.694 29.700 0.019 0.000 0.749 766 E HN 0.642 nan 8.360 nan 0.000 0.450 767 E N 0.055 120.257 120.200 0.004 0.000 2.114 767 E HA -0.208 4.142 4.350 0.001 0.000 0.199 767 E C 1.890 178.476 176.600 -0.024 0.000 1.008 767 E CA 1.501 57.898 56.400 -0.006 0.000 0.810 767 E CB -0.240 29.456 29.700 -0.007 0.000 0.739 767 E HN 0.314 nan 8.360 nan 0.000 0.456 768 A N -0.007 122.793 122.820 -0.034 0.000 2.178 768 A HA 0.318 4.638 4.320 0.001 0.000 0.211 768 A C 1.345 178.892 177.584 -0.061 0.000 1.157 768 A CA 1.181 53.185 52.037 -0.055 0.000 0.780 768 A CB -0.304 18.660 19.000 -0.060 0.000 0.828 768 A HN 0.312 nan 8.150 nan 0.000 0.476 769 G N -0.423 108.349 108.800 -0.048 0.000 2.578 769 G HA2 -0.331 3.629 3.960 0.001 0.000 0.284 769 G HA3 -0.331 3.629 3.960 0.001 0.000 0.284 769 G C 1.078 175.958 174.900 -0.035 0.000 1.283 769 G CA 0.424 45.491 45.100 -0.055 0.000 0.944 769 G HN 0.730 nan 8.290 nan 0.000 0.558 770 S N -0.226 115.453 115.700 -0.035 0.000 2.432 770 S HA -0.230 4.240 4.470 0.001 0.000 0.243 770 S C 2.706 177.321 174.600 0.025 0.000 1.069 770 S CA 2.677 60.880 58.200 0.006 0.000 1.047 770 S CB -0.610 62.593 63.200 0.006 0.000 0.854 770 S HN 1.757 nan 8.310 nan 0.000 0.474 771 A N 0.438 123.261 122.820 0.005 0.000 2.067 771 A HA 0.268 4.589 4.320 0.001 0.000 0.217 771 A C 2.013 179.601 177.584 0.007 0.000 1.156 771 A CA 1.202 53.253 52.037 0.024 0.000 0.683 771 A CB -0.518 18.494 19.000 0.021 0.000 0.808 771 A HN 0.521 nan 8.150 nan 0.000 0.455 772 G N -0.604 108.195 108.800 -0.002 0.000 3.189 772 G HA2 0.085 4.045 3.960 0.001 0.000 0.225 772 G HA3 0.085 4.045 3.960 0.001 0.000 0.225 772 G C 0.029 174.947 174.900 0.030 0.000 1.159 772 G CA -0.395 44.705 45.100 -0.000 0.000 0.763 772 G HN 0.331 nan 8.290 nan 0.000 0.549 773 N N 1.506 120.229 118.700 0.038 0.000 2.482 773 N HA 0.334 5.074 4.740 0.001 0.000 0.242 773 N C -0.178 175.360 175.510 0.046 0.000 1.100 773 N CA 0.117 53.198 53.050 0.052 0.000 0.946 773 N CB 1.560 40.080 38.487 0.054 0.000 1.227 773 N HN 0.186 nan 8.380 nan 0.000 0.508 774 V N -1.297 118.651 119.914 0.057 0.000 3.130 774 V HA 1.023 5.144 4.120 0.001 0.000 0.310 774 V C 0.296 176.412 176.094 0.036 0.000 1.158 774 V CA -1.067 61.250 62.300 0.027 0.000 1.029 774 V CB 1.873 33.699 31.823 0.004 0.000 1.057 774 V HN 0.408 nan 8.190 nan 0.000 0.436 775 G N 0.962 109.730 108.800 -0.052 0.000 2.659 775 G HA2 0.807 4.768 3.960 0.001 0.000 0.296 775 G HA3 0.807 4.768 3.960 0.001 0.000 0.296 775 G C -1.206 173.591 174.900 -0.171 0.000 1.369 775 G CA -0.576 44.432 45.100 -0.154 0.000 0.937 775 G HN 1.571 nan 8.290 nan 0.000 0.485 776 I N -1.570 118.910 120.570 -0.150 0.000 2.785 776 I HA 0.754 4.925 4.170 0.001 0.000 0.302 776 I C -1.093 174.942 176.117 -0.135 0.000 1.069 776 I CA -1.506 59.735 61.300 -0.098 0.000 1.045 776 I CB 2.538 40.556 38.000 0.029 0.000 1.236 776 I HN 0.289 nan 8.210 nan 0.000 0.429 777 I N 3.861 124.403 120.570 -0.048 0.000 2.404 777 I HA 0.393 4.564 4.170 0.001 0.000 0.293 777 I C -1.175 175.039 176.117 0.162 0.000 0.992 777 I CA -0.540 60.793 61.300 0.056 0.000 1.149 777 I CB 1.997 40.030 38.000 0.055 0.000 1.315 777 I HN 0.497 nan 8.210 nan 0.000 0.446 778 F N 6.817 126.806 119.950 0.064 0.000 2.436 778 F HA 0.560 5.088 4.527 0.003 0.000 0.340 778 F C -0.410 175.438 175.800 0.081 0.000 1.113 778 F CA -0.520 57.518 58.000 0.063 0.000 1.022 778 F CB 1.095 40.137 39.000 0.070 0.000 1.128 778 F HN 0.290 nan 8.300 nan 0.000 0.466 779 K N 4.431 124.433 120.400 -0.663 0.000 2.471 779 K HA 0.393 4.713 4.320 0.001 0.000 0.252 779 K C -1.774 174.427 176.600 -0.666 0.000 0.938 779 K CA -0.754 55.263 56.287 -0.450 0.000 0.796 779 K CB 1.234 33.616 32.500 -0.196 0.000 1.161 779 K HN 0.671 nan 8.250 nan 0.000 0.425 780 N N 2.211 120.671 118.700 -0.401 0.000 2.410 780 N HA 0.519 5.259 4.740 0.001 0.000 0.287 780 N C -0.006 175.446 175.510 -0.096 0.000 1.044 780 N CA 0.525 53.422 53.050 -0.255 0.000 0.881 780 N CB 1.849 40.274 38.487 -0.103 0.000 1.405 780 N HN 0.646 nan 8.380 nan 0.000 0.490 781 G N 2.093 110.845 108.800 -0.081 0.000 2.352 781 G HA2 -0.173 3.787 3.960 0.001 0.000 0.204 781 G HA3 -0.173 3.787 3.960 0.001 0.000 0.204 781 G C -0.604 174.272 174.900 -0.041 0.000 1.004 781 G CA -0.302 44.773 45.100 -0.042 0.000 0.648 781 G HN 0.596 nan 8.290 nan 0.000 0.491 782 D N 0.776 121.142 120.400 -0.057 0.000 2.228 782 D HA 0.540 5.180 4.640 0.001 0.000 0.247 782 D C -1.140 175.131 176.300 -0.048 0.000 0.995 782 D CA -0.236 53.738 54.000 -0.044 0.000 0.903 782 D CB 1.841 42.618 40.800 -0.038 0.000 1.205 782 D HN 0.099 nan 8.370 nan 0.000 0.459 783 D N 1.216 121.596 120.400 -0.034 0.000 2.232 783 D HA 0.197 4.837 4.640 0.001 0.000 0.242 783 D C 0.506 176.793 176.300 -0.023 0.000 1.093 783 D CA -0.293 53.692 54.000 -0.025 0.000 0.845 783 D CB 1.033 41.822 40.800 -0.017 0.000 1.124 783 D HN 0.205 nan 8.370 nan 0.000 0.467 784 L N 3.474 124.691 121.223 -0.010 0.000 2.590 784 L HA 0.205 4.546 4.340 0.001 0.000 0.227 784 L C 2.251 179.128 176.870 0.012 0.000 1.099 784 L CA -0.185 54.660 54.840 0.008 0.000 0.872 784 L CB 0.121 42.190 42.059 0.016 0.000 1.088 784 L HN 0.319 nan 8.230 nan 0.000 0.479 785 R N 0.326 120.827 120.500 0.002 0.000 2.096 785 R HA -0.279 4.062 4.340 0.001 0.000 0.240 785 R C 2.143 178.415 176.300 -0.047 0.000 1.139 785 R CA 1.979 58.073 56.100 -0.010 0.000 0.952 785 R CB -0.338 29.956 30.300 -0.009 0.000 0.854 785 R HN 0.337 nan 8.270 nan 0.000 0.436 786 Q N 0.473 120.219 119.800 -0.090 0.000 2.124 786 Q HA -0.184 4.157 4.340 0.001 0.000 0.202 786 Q C 1.349 177.275 176.000 -0.122 0.000 0.977 786 Q CA 1.746 57.435 55.803 -0.189 0.000 0.850 786 Q CB 0.105 28.645 28.738 -0.331 0.000 0.901 786 Q HN 0.262 nan 8.270 nan 0.000 0.429 787 D N -0.086 120.308 120.400 -0.009 0.000 2.117 787 D HA -0.175 4.465 4.640 0.001 0.000 0.198 787 D C 1.778 178.118 176.300 0.066 0.000 0.982 787 D CA 1.143 55.218 54.000 0.125 0.000 0.828 787 D CB -0.204 40.719 40.800 0.205 0.000 0.967 787 D HN 0.366 nan 8.370 nan 0.000 0.464 788 M N 0.227 119.845 119.600 0.029 0.000 2.065 788 M HA -0.200 4.280 4.480 0.001 0.000 0.259 788 M C 2.079 178.349 176.300 -0.050 0.000 1.069 788 M CA 1.272 56.574 55.300 0.002 0.000 1.110 788 M CB -0.066 32.547 32.600 0.023 0.000 1.328 788 M HN 0.039 nan 8.290 nan 0.000 0.405 789 L N 0.388 121.575 121.223 -0.060 0.000 2.012 789 L HA -0.175 4.166 4.340 0.001 0.000 0.210 789 L C 2.138 178.974 176.870 -0.056 0.000 1.073 789 L CA 2.395 57.187 54.840 -0.080 0.000 0.748 789 L CB -1.245 40.782 42.059 -0.053 0.000 0.891 789 L HN 0.361 nan 8.230 nan 0.000 0.431 790 T N -0.004 114.519 114.554 -0.053 0.000 2.652 790 T HA -0.207 4.144 4.350 0.001 0.000 0.267 790 T C 1.970 176.554 174.700 -0.194 0.000 1.039 790 T CA 2.037 64.051 62.100 -0.144 0.000 1.153 790 T CB -0.433 68.151 68.868 -0.473 0.000 0.863 790 T HN 0.323 nan 8.240 nan 0.000 0.428 791 L N 0.844 121.974 121.223 -0.155 0.000 2.079 791 L HA -0.161 4.179 4.340 0.001 0.000 0.210 791 L C 2.964 179.760 176.870 -0.123 0.000 1.081 791 L CA 1.367 56.133 54.840 -0.122 0.000 0.752 791 L CB -0.614 41.355 42.059 -0.148 0.000 0.896 791 L HN 0.317 nan 8.230 nan 0.000 0.433 792 Q N -0.880 118.844 119.800 -0.127 0.000 2.084 792 Q HA -0.203 4.137 4.340 0.001 0.000 0.202 792 Q C 2.339 178.274 176.000 -0.108 0.000 0.978 792 Q CA 1.234 56.946 55.803 -0.151 0.000 0.844 792 Q CB -0.163 28.463 28.738 -0.185 0.000 0.898 792 Q HN 0.473 nan 8.270 nan 0.000 0.426 793 M N 0.194 119.766 119.600 -0.046 0.000 2.117 793 M HA -0.123 4.357 4.480 0.001 0.000 0.262 793 M C 2.207 178.525 176.300 0.030 0.000 1.065 793 M CA 1.339 56.687 55.300 0.080 0.000 1.114 793 M CB -0.768 31.953 32.600 0.202 0.000 1.361 793 M HN 0.236 nan 8.290 nan 0.000 0.408 794 I N -0.053 120.485 120.570 -0.052 0.000 2.315 794 I HA -0.308 3.862 4.170 0.001 0.000 0.248 794 I C 2.659 178.692 176.117 -0.140 0.000 1.117 794 I CA 1.227 62.468 61.300 -0.097 0.000 1.404 794 I CB -0.472 37.511 38.000 -0.029 0.000 1.071 794 I HN 0.428 nan 8.210 nan 0.000 0.419 795 Q N 1.126 120.858 119.800 -0.114 0.000 2.167 795 Q HA -0.234 4.107 4.340 0.001 0.000 0.202 795 Q C 2.281 178.180 176.000 -0.168 0.000 0.970 795 Q CA 1.341 57.069 55.803 -0.124 0.000 0.855 795 Q CB -0.085 28.580 28.738 -0.120 0.000 0.911 795 Q HN 0.399 nan 8.270 nan 0.000 0.438 796 L N 0.652 121.775 121.223 -0.166 0.000 2.017 796 L HA -0.154 4.187 4.340 0.001 0.000 0.208 796 L C 2.195 178.898 176.870 -0.279 0.000 1.073 796 L CA 1.883 56.604 54.840 -0.198 0.000 0.745 796 L CB -0.493 41.460 42.059 -0.177 0.000 0.894 796 L HN 0.362 nan 8.230 nan 0.000 0.432 797 M N -0.862 118.536 119.600 -0.337 0.000 2.082 797 M HA -0.263 4.218 4.480 0.001 0.000 0.258 797 M C 2.041 177.685 176.300 -1.095 0.000 1.069 797 M CA 2.247 57.012 55.300 -0.892 0.000 1.102 797 M CB -0.767 31.088 32.600 -1.241 0.000 1.336 797 M HN 0.293 nan 8.290 nan 0.000 0.404 798 D N 0.210 120.276 120.400 -0.555 0.000 2.104 798 D HA -0.136 4.505 4.640 0.001 0.000 0.194 798 D C 1.793 178.058 176.300 -0.059 0.000 0.994 798 D CA 1.305 55.255 54.000 -0.082 0.000 0.830 798 D CB 0.025 40.827 40.800 0.003 0.000 0.959 798 D HN 0.099 nan 8.370 nan 0.000 0.452 799 V N 0.436 120.262 119.914 -0.147 0.000 2.287 799 V HA -0.242 3.879 4.120 0.001 0.000 0.248 799 V C 2.657 178.668 176.094 -0.139 0.000 1.053 799 V CA 1.441 63.665 62.300 -0.126 0.000 1.027 799 V CB -0.533 31.195 31.823 -0.158 0.000 0.646 799 V HN 0.301 nan 8.190 nan 0.000 0.447 800 L N -1.765 119.307 121.223 -0.253 0.000 2.056 800 L HA -0.143 4.198 4.340 0.001 0.000 0.207 800 L C 2.604 179.453 176.870 -0.035 0.000 1.078 800 L CA 1.493 56.169 54.840 -0.273 0.000 0.749 800 L CB -0.624 41.158 42.059 -0.461 0.000 0.901 800 L HN 0.387 nan 8.230 nan 0.000 0.433 801 W N 1.102 122.379 121.300 -0.038 0.000 2.355 801 W HA -0.154 4.507 4.660 0.001 0.000 0.309 801 W C 2.544 179.048 176.519 -0.025 0.000 1.206 801 W CA 0.877 58.210 57.345 -0.020 0.000 1.284 801 W CB -0.893 28.552 29.460 -0.025 0.000 1.145 801 W HN 0.132 nan 8.180 nan 0.000 0.502 802 K N 0.168 120.683 120.400 0.192 0.000 2.152 802 K HA -0.195 4.125 4.320 0.001 0.000 0.206 802 K C 1.885 178.515 176.600 0.050 0.000 1.048 802 K CA 1.456 57.797 56.287 0.090 0.000 0.933 802 K CB -0.420 32.108 32.500 0.045 0.000 0.721 802 K HN 0.255 nan 8.250 nan 0.000 0.447 803 Q N 0.374 120.194 119.800 0.034 0.000 2.437 803 Q HA -0.096 4.244 4.340 0.001 0.000 0.210 803 Q C 0.591 176.624 176.000 0.055 0.000 0.972 803 Q CA 0.750 56.567 55.803 0.023 0.000 0.903 803 Q CB 0.310 29.047 28.738 -0.001 0.000 0.967 803 Q HN 0.272 nan 8.270 nan 0.000 0.486 804 E N -0.773 119.480 120.200 0.088 0.000 2.499 804 E HA 0.132 4.483 4.350 0.001 0.000 0.199 804 E C 0.644 177.286 176.600 0.070 0.000 1.016 804 E CA 0.326 56.781 56.400 0.090 0.000 0.933 804 E CB 0.971 30.745 29.700 0.124 0.000 1.050 804 E HN 0.398 nan 8.360 nan 0.000 0.462 805 G N 1.910 110.745 108.800 0.059 0.000 2.153 805 G HA2 -0.291 3.670 3.960 0.001 0.000 0.252 805 G HA3 -0.291 3.670 3.960 0.001 0.000 0.252 805 G C -0.067 174.858 174.900 0.041 0.000 0.994 805 G CA 0.421 45.548 45.100 0.045 0.000 0.698 805 G HN 0.272 nan 8.290 nan 0.000 0.521 806 L N 1.152 122.406 121.223 0.052 0.000 2.276 806 L HA 0.717 5.057 4.340 0.001 0.000 0.286 806 L C -0.659 176.221 176.870 0.017 0.000 1.024 806 L CA -1.081 53.762 54.840 0.005 0.000 0.826 806 L CB 1.598 43.633 42.059 -0.039 0.000 1.211 806 L HN 0.110 nan 8.230 nan 0.000 0.422 807 D N 4.665 125.049 120.400 -0.028 0.000 2.427 807 D HA 0.246 4.887 4.640 0.001 0.000 0.226 807 D C 0.251 176.500 176.300 -0.084 0.000 1.076 807 D CA -0.112 53.878 54.000 -0.017 0.000 0.849 807 D CB 0.954 41.750 40.800 -0.006 0.000 1.052 807 D HN 0.587 nan 8.370 nan 0.000 0.515 808 L N 3.818 125.001 121.223 -0.066 0.000 2.653 808 L HA 0.224 4.565 4.340 0.001 0.000 0.231 808 L C 0.537 177.394 176.870 -0.021 0.000 1.153 808 L CA -0.337 54.426 54.840 -0.129 0.000 0.933 808 L CB -0.099 41.799 42.059 -0.268 0.000 1.175 808 L HN 0.300 nan 8.230 nan 0.000 0.473 809 R N -0.894 119.606 120.500 -0.000 0.000 3.423 809 R HA -0.146 4.195 4.340 0.001 0.000 0.271 809 R C -0.031 176.342 176.300 0.121 0.000 1.093 809 R CA 0.577 56.692 56.100 0.025 0.000 0.730 809 R CB -2.126 28.191 30.300 0.028 0.000 1.190 809 R HN 0.286 nan 8.270 nan 0.000 0.437 810 M N 0.051 119.732 119.600 0.135 0.000 2.219 810 M HA 0.091 4.571 4.480 0.001 0.000 0.307 810 M C 0.931 177.370 176.300 0.232 0.000 1.116 810 M CA 0.834 56.268 55.300 0.223 0.000 1.181 810 M CB 0.080 32.759 32.600 0.132 0.000 1.410 810 M HN 0.007 nan 8.290 nan 0.000 0.454 811 T N 3.172 117.933 114.554 0.345 0.000 3.250 811 T HA 0.343 4.694 4.350 0.001 0.000 0.391 811 T C -2.299 172.493 174.700 0.153 0.000 1.502 811 T CA -0.958 61.224 62.100 0.138 0.000 1.320 811 T CB 0.286 69.053 68.868 -0.168 0.000 1.102 811 T HN 0.377 nan 8.240 nan 0.000 0.610 812 P HA 0.174 nan 4.420 nan 0.000 0.244 812 P C -0.611 176.680 177.300 -0.014 0.000 1.769 812 P CA -0.505 62.594 63.100 -0.002 0.000 1.102 812 P CB -0.725 30.975 31.700 -0.001 0.000 1.937 813 Y N -0.064 120.237 120.300 0.003 0.000 2.304 813 Y HA 0.615 5.166 4.550 0.000 0.000 0.327 813 Y C 0.880 176.805 175.900 0.042 0.000 1.209 813 Y CA -1.462 56.630 58.100 -0.014 0.000 1.299 813 Y CB 0.074 38.486 38.460 -0.080 0.000 1.249 813 Y HN 0.253 nan 8.280 nan 0.000 0.519 814 G N 0.925 109.850 108.800 0.209 0.000 2.414 814 G HA2 0.281 4.241 3.960 0.001 0.000 0.236 814 G HA3 0.281 4.241 3.960 0.001 0.000 0.236 814 G C -1.136 173.885 174.900 0.201 0.000 1.293 814 G CA -0.119 45.077 45.100 0.161 0.000 0.869 814 G HN 1.094 nan 8.290 nan 0.000 0.556 815 C N 3.683 123.061 119.300 0.130 0.000 2.716 815 C HA 0.644 5.105 4.460 0.001 0.000 0.366 815 C C -1.158 173.901 174.990 0.114 0.000 1.073 815 C CA -0.896 58.205 59.018 0.137 0.000 1.260 815 C CB 0.325 28.144 27.740 0.131 0.000 1.755 815 C HN 0.858 nan 8.230 nan 0.000 0.475 816 L N 8.787 130.070 121.223 0.100 0.000 2.528 816 L HA 0.689 5.029 4.340 0.001 0.000 0.267 816 L C -2.615 174.278 176.870 0.038 0.000 0.961 816 L CA -1.208 53.690 54.840 0.096 0.000 0.866 816 L CB 2.255 44.370 42.059 0.093 0.000 1.248 816 L HN 0.469 nan 8.230 nan 0.000 0.404 817 P HA 0.398 nan 4.420 nan 0.000 0.275 817 P C -0.074 177.265 177.300 0.064 0.000 1.227 817 P CA -0.168 62.965 63.100 0.056 0.000 0.781 817 P CB 0.918 32.675 31.700 0.095 0.000 0.906 818 T N -0.970 113.608 114.554 0.039 0.000 2.969 818 T HA 0.511 4.861 4.350 0.001 0.000 0.258 818 T C 0.641 175.469 174.700 0.212 0.000 0.962 818 T CA 0.211 62.355 62.100 0.074 0.000 0.903 818 T CB 0.021 68.805 68.868 -0.140 0.000 1.177 818 T HN 0.515 nan 8.240 nan 0.000 0.511 819 G N 0.491 109.368 108.800 0.128 0.000 2.561 819 G HA2 0.430 4.391 3.960 0.001 0.000 0.310 819 G HA3 0.430 4.391 3.960 0.001 0.000 0.310 819 G C -2.051 172.802 174.900 -0.078 0.000 1.292 819 G CA -0.665 44.492 45.100 0.096 0.000 0.811 819 G HN 0.019 nan 8.290 nan 0.000 0.482 820 D N 0.831 121.024 120.400 -0.345 0.000 2.368 820 D HA 0.149 4.789 4.640 0.001 0.000 0.268 820 D C 1.138 177.272 176.300 -0.278 0.000 1.298 820 D CA 0.279 53.847 54.000 -0.720 0.000 0.938 820 D CB -0.095 40.281 40.800 -0.707 0.000 1.101 820 D HN 0.504 nan 8.370 nan 0.000 0.509 821 R N 1.966 122.357 120.500 -0.182 0.000 3.502 821 R HA -0.172 4.169 4.340 0.001 0.000 0.266 821 R C -0.442 175.787 176.300 -0.119 0.000 1.077 821 R CA 0.857 56.897 56.100 -0.100 0.000 0.718 821 R CB -2.263 27.989 30.300 -0.080 0.000 1.120 821 R HN 0.388 nan 8.270 nan 0.000 0.457 822 T N -0.944 113.542 114.554 -0.113 0.000 2.971 822 T HA 0.681 5.032 4.350 0.001 0.000 0.304 822 T C 0.234 174.861 174.700 -0.122 0.000 1.038 822 T CA -0.045 61.958 62.100 -0.162 0.000 1.007 822 T CB 2.286 71.118 68.868 -0.059 0.000 1.055 822 T HN 0.455 nan 8.240 nan 0.000 0.451 823 G N 1.620 110.294 108.800 -0.209 0.000 2.570 823 G HA2 0.677 4.638 3.960 0.001 0.000 0.310 823 G HA3 0.677 4.638 3.960 0.001 0.000 0.310 823 G C -2.295 172.534 174.900 -0.118 0.000 1.266 823 G CA -0.711 44.321 45.100 -0.114 0.000 0.825 823 G HN 0.694 nan 8.290 nan 0.000 0.483 824 L N 0.099 121.303 121.223 -0.031 0.000 2.388 824 L HA 0.689 5.029 4.340 0.001 0.000 0.264 824 L C -0.912 175.990 176.870 0.053 0.000 0.998 824 L CA -0.821 54.034 54.840 0.025 0.000 0.817 824 L CB 2.412 44.485 42.059 0.023 0.000 1.338 824 L HN 0.394 nan 8.230 nan 0.000 0.414 825 I N 1.044 121.655 120.570 0.069 0.000 2.608 825 I HA 0.312 4.483 4.170 0.001 0.000 0.295 825 I C -0.267 175.890 176.117 0.066 0.000 1.049 825 I CA -0.580 60.788 61.300 0.115 0.000 1.063 825 I CB 2.378 40.452 38.000 0.124 0.000 1.248 825 I HN 0.598 nan 8.210 nan 0.000 0.424 826 E N 5.009 125.277 120.200 0.113 0.000 2.259 826 E HA 0.251 4.601 4.350 0.001 0.000 0.281 826 E C -0.998 175.558 176.600 -0.073 0.000 1.037 826 E CA -0.572 55.849 56.400 0.035 0.000 0.854 826 E CB 1.383 31.145 29.700 0.104 0.000 1.051 826 E HN 0.376 nan 8.360 nan 0.000 0.409 827 V N 5.264 125.071 119.914 -0.178 0.000 2.485 827 V HA -0.015 4.106 4.120 0.001 0.000 0.287 827 V C 0.116 176.134 176.094 -0.126 0.000 1.022 827 V CA -0.092 62.048 62.300 -0.267 0.000 1.067 827 V CB 0.957 32.466 31.823 -0.522 0.000 0.967 827 V HN 0.448 nan 8.190 nan 0.000 0.479 828 V N 7.698 127.564 119.914 -0.080 0.000 2.348 828 V HA 0.326 4.447 4.120 0.001 0.000 0.270 828 V C 0.277 176.419 176.094 0.080 0.000 1.037 828 V CA -0.306 61.982 62.300 -0.021 0.000 0.872 828 V CB 1.050 32.805 31.823 -0.114 0.000 1.002 828 V HN 0.613 nan 8.190 nan 0.000 0.464 829 L N 4.444 125.698 121.223 0.052 0.000 2.456 829 L HA 0.454 4.795 4.340 0.001 0.000 0.257 829 L C 0.893 177.805 176.870 0.069 0.000 1.162 829 L CA -0.461 54.367 54.840 -0.021 0.000 0.808 829 L CB 0.172 42.100 42.059 -0.218 0.000 1.136 829 L HN 0.823 nan 8.230 nan 0.000 0.466 830 H N -1.376 117.813 119.070 0.200 0.000 2.839 830 H HA -0.143 4.413 4.556 0.001 0.000 0.298 830 H C -0.354 175.143 175.328 0.282 0.000 1.224 830 H CA 0.496 56.669 56.048 0.208 0.000 1.144 830 H CB -1.427 28.432 29.762 0.161 0.000 1.372 830 H HN 0.574 nan 8.280 nan 0.000 0.408 831 S N -1.021 114.878 115.700 0.330 0.000 2.599 831 S HA 0.748 5.219 4.470 0.001 0.000 0.287 831 S C -0.907 173.794 174.600 0.168 0.000 1.105 831 S CA -0.946 57.433 58.200 0.299 0.000 0.899 831 S CB 4.023 67.426 63.200 0.339 0.000 1.100 831 S HN 0.232 nan 8.310 nan 0.000 0.482 832 D N 0.168 120.568 120.400 0.000 0.000 2.596 832 D HA 0.527 5.167 4.640 0.001 0.000 0.262 832 D C -0.831 175.312 176.300 -0.262 0.000 1.210 832 D CA -0.136 53.788 54.000 -0.126 0.000 0.873 832 D CB 2.326 43.024 40.800 -0.169 0.000 1.408 832 D HN 0.815 nan 8.370 nan 0.000 0.441 833 T N -0.186 114.225 114.554 -0.238 0.000 2.910 833 T HA 0.246 4.597 4.350 0.001 0.000 0.293 833 T C 1.951 176.486 174.700 -0.274 0.000 1.015 833 T CA -0.652 61.295 62.100 -0.254 0.000 1.094 833 T CB 0.476 69.238 68.868 -0.177 0.000 0.968 833 T HN 0.278 nan 8.240 nan 0.000 0.521 834 I N 2.080 122.506 120.570 -0.240 0.000 2.194 834 I HA -0.177 3.993 4.170 0.001 0.000 0.246 834 I C 2.932 178.980 176.117 -0.114 0.000 1.093 834 I CA 1.850 63.055 61.300 -0.158 0.000 1.355 834 I CB -2.307 35.682 38.000 -0.019 0.000 1.046 834 I HN 0.902 nan 8.210 nan 0.000 0.413 835 A N 1.222 123.985 122.820 -0.095 0.000 1.859 835 A HA -0.305 4.015 4.320 0.001 0.000 0.217 835 A C 2.235 179.764 177.584 -0.092 0.000 1.198 835 A CA 2.460 54.450 52.037 -0.078 0.000 0.629 835 A CB -1.081 17.873 19.000 -0.077 0.000 0.830 835 A HN 0.452 nan 8.150 nan 0.000 0.446 836 N N 0.212 118.843 118.700 -0.116 0.000 2.036 836 N HA -0.166 4.575 4.740 0.001 0.000 0.195 836 N C 1.545 176.983 175.510 -0.119 0.000 1.037 836 N CA 2.201 55.183 53.050 -0.112 0.000 0.855 836 N CB -0.479 37.934 38.487 -0.124 0.000 1.033 836 N HN 0.542 nan 8.380 nan 0.000 0.423 837 I N 0.309 120.760 120.570 -0.199 0.000 2.208 837 I HA -0.273 3.897 4.170 0.001 0.000 0.245 837 I C 1.723 177.781 176.117 -0.099 0.000 1.097 837 I CA 1.193 62.360 61.300 -0.222 0.000 1.363 837 I CB -0.394 37.320 38.000 -0.476 0.000 1.051 837 I HN 0.289 nan 8.210 nan 0.000 0.413 838 Q N 0.468 120.220 119.800 -0.080 0.000 2.515 838 Q HA -0.016 4.325 4.340 0.001 0.000 0.212 838 Q C 2.022 178.009 176.000 -0.022 0.000 0.970 838 Q CA 0.386 56.170 55.803 -0.031 0.000 0.941 838 Q CB 0.050 28.779 28.738 -0.015 0.000 0.998 838 Q HN 0.576 nan 8.270 nan 0.000 0.518 839 L N 0.201 121.405 121.223 -0.031 0.000 2.465 839 L HA -0.078 4.262 4.340 0.001 0.000 0.224 839 L C 0.536 177.400 176.870 -0.010 0.000 1.145 839 L CA -0.007 54.819 54.840 -0.023 0.000 0.834 839 L CB -0.363 41.678 42.059 -0.030 0.000 0.944 839 L HN 0.345 nan 8.230 nan 0.000 0.451 840 N N 1.420 120.120 118.700 0.000 0.000 2.688 840 N HA -0.216 4.524 4.740 0.001 0.000 0.258 840 N C -0.275 175.240 175.510 0.007 0.000 1.016 840 N CA 0.597 53.654 53.050 0.012 0.000 0.747 840 N CB -0.790 37.701 38.487 0.007 0.000 0.895 840 N HN 0.290 nan 8.380 nan 0.000 0.543 841 K N 0.363 120.771 120.400 0.013 0.000 2.326 841 K HA 0.211 4.531 4.320 0.001 0.000 0.275 841 K C 0.813 177.419 176.600 0.010 0.000 1.018 841 K CA 0.026 56.318 56.287 0.007 0.000 0.962 841 K CB 0.530 33.036 32.500 0.010 0.000 0.953 841 K HN 0.517 nan 8.250 nan 0.000 0.475 842 S N 1.760 117.461 115.700 0.001 0.000 2.624 842 S HA 0.116 4.586 4.470 0.001 0.000 0.263 842 S C 0.374 174.977 174.600 0.004 0.000 1.287 842 S CA -0.524 57.675 58.200 -0.001 0.000 0.990 842 S CB 0.583 63.778 63.200 -0.009 0.000 0.950 842 S HN 0.797 nan 8.310 nan 0.000 0.561 843 N N -1.044 117.658 118.700 0.002 0.000 2.829 843 N HA -0.109 4.631 4.740 0.001 0.000 0.250 843 N C -1.081 174.435 175.510 0.011 0.000 1.090 843 N CA 1.251 54.304 53.050 0.004 0.000 0.781 843 N CB -1.125 37.363 38.487 0.001 0.000 1.124 843 N HN 0.621 nan 8.380 nan 0.000 0.559 844 M N -1.421 118.189 119.600 0.017 0.000 2.591 844 M HA 0.592 5.073 4.480 0.001 0.000 0.306 844 M C 1.416 177.732 176.300 0.027 0.000 1.190 844 M CA -0.409 54.909 55.300 0.030 0.000 0.889 844 M CB 1.030 33.661 32.600 0.052 0.000 1.728 844 M HN -0.077 nan 8.290 nan 0.000 0.458 845 A N 1.392 124.225 122.820 0.022 0.000 1.948 845 A HA 0.011 4.332 4.320 0.001 0.000 0.220 845 A C 1.555 179.154 177.584 0.024 0.000 1.177 845 A CA 2.404 54.444 52.037 0.005 0.000 0.636 845 A CB -0.523 18.460 19.000 -0.028 0.000 0.815 845 A HN 0.891 nan 8.150 nan 0.000 0.449 846 A N -0.936 121.921 122.820 0.062 0.000 2.415 846 A HA 0.390 4.710 4.320 0.001 0.000 0.248 846 A C 0.729 178.359 177.584 0.077 0.000 1.299 846 A CA 0.187 52.282 52.037 0.097 0.000 0.899 846 A CB -0.611 18.513 19.000 0.207 0.000 0.997 846 A HN 0.237 nan 8.150 nan 0.000 0.506 847 T N 2.272 116.854 114.554 0.047 0.000 2.784 847 T HA 0.419 4.769 4.350 0.001 0.000 0.291 847 T C 0.411 175.121 174.700 0.018 0.000 0.942 847 T CA 0.642 62.758 62.100 0.027 0.000 1.161 847 T CB 0.561 69.435 68.868 0.009 0.000 0.885 847 T HN 0.486 nan 8.240 nan 0.000 0.534 848 A N 2.791 125.620 122.820 0.015 0.000 2.303 848 A HA 0.746 5.067 4.320 0.001 0.000 0.317 848 A C 1.454 179.001 177.584 -0.061 0.000 1.149 848 A CA -0.427 51.617 52.037 0.012 0.000 0.822 848 A CB 0.576 19.608 19.000 0.053 0.000 1.131 848 A HN 0.900 nan 8.150 nan 0.000 0.493 849 A N 1.377 124.135 122.820 -0.102 0.000 1.972 849 A HA 0.275 4.596 4.320 0.001 0.000 0.219 849 A C 0.163 177.319 177.584 -0.713 0.000 1.169 849 A CA 1.140 52.958 52.037 -0.365 0.000 0.635 849 A CB -0.328 18.471 19.000 -0.335 0.000 0.810 849 A HN 0.680 nan 8.150 nan 0.000 0.446 850 F N -1.918 118.019 119.950 -0.022 0.000 2.539 850 F HA 0.348 4.875 4.527 0.001 0.000 0.318 850 F C 0.730 176.504 175.800 -0.044 0.000 1.135 850 F CA -0.937 57.038 58.000 -0.042 0.000 0.915 850 F CB 1.364 40.327 39.000 -0.061 0.000 1.176 850 F HN 0.077 nan 8.300 nan 0.000 0.440 851 N N 2.543 121.307 118.700 0.106 0.000 2.184 851 N HA -0.263 4.478 4.740 0.001 0.000 0.190 851 N C 1.911 177.440 175.510 0.032 0.000 1.011 851 N CA 2.051 55.133 53.050 0.053 0.000 0.867 851 N CB 0.036 38.547 38.487 0.040 0.000 0.993 851 N HN 0.697 nan 8.380 nan 0.000 0.433 852 K N -0.563 119.837 120.400 0.000 0.000 2.360 852 K HA -0.135 4.185 4.320 0.001 0.000 0.201 852 K C 0.492 177.008 176.600 -0.141 0.000 1.046 852 K CA 1.548 57.746 56.287 -0.149 0.000 0.945 852 K CB 0.070 32.376 32.500 -0.323 0.000 0.750 852 K HN 0.245 nan 8.250 nan 0.000 0.464 853 D N 1.314 121.722 120.400 0.014 0.000 2.289 853 D HA 0.018 4.658 4.640 0.001 0.000 0.207 853 D C 1.963 178.319 176.300 0.093 0.000 0.966 853 D CA 0.927 54.988 54.000 0.102 0.000 0.868 853 D CB 0.077 40.966 40.800 0.148 0.000 0.943 853 D HN 0.375 nan 8.370 nan 0.000 0.514 854 A N 1.631 124.494 122.820 0.071 0.000 1.896 854 A HA -0.213 4.107 4.320 0.001 0.000 0.220 854 A C 2.216 179.868 177.584 0.113 0.000 1.206 854 A CA 1.145 53.230 52.037 0.080 0.000 0.647 854 A CB -0.938 18.091 19.000 0.049 0.000 0.828 854 A HN 0.273 nan 8.150 nan 0.000 0.455 855 L N -1.557 119.716 121.223 0.083 0.000 2.141 855 L HA -0.106 4.235 4.340 0.001 0.000 0.209 855 L C 2.501 179.443 176.870 0.120 0.000 1.094 855 L CA 1.327 56.218 54.840 0.087 0.000 0.763 855 L CB -0.241 41.849 42.059 0.053 0.000 0.908 855 L HN 0.478 nan 8.230 nan 0.000 0.437 856 L N 0.207 121.476 121.223 0.077 0.000 2.044 856 L HA -0.169 4.172 4.340 0.001 0.000 0.205 856 L C 2.081 179.002 176.870 0.084 0.000 1.075 856 L CA 1.631 56.497 54.840 0.042 0.000 0.747 856 L CB -0.804 41.268 42.059 0.022 0.000 0.903 856 L HN 0.202 nan 8.230 nan 0.000 0.435 857 N N -1.065 117.697 118.700 0.104 0.000 2.091 857 N HA -0.299 4.442 4.740 0.001 0.000 0.193 857 N C 1.457 177.045 175.510 0.131 0.000 1.021 857 N CA 1.849 54.959 53.050 0.100 0.000 0.862 857 N CB -0.647 37.901 38.487 0.102 0.000 1.018 857 N HN 0.576 nan 8.380 nan 0.000 0.429 858 W N 1.233 122.534 121.300 0.001 0.000 2.355 858 W HA 0.007 4.668 4.660 0.000 0.000 0.309 858 W C 1.917 178.441 176.519 0.008 0.000 1.206 858 W CA 1.018 58.368 57.345 0.008 0.000 1.284 858 W CB -0.450 29.018 29.460 0.013 0.000 1.145 858 W HN 0.012 nan 8.180 nan 0.000 0.502 859 L N 0.626 122.001 121.223 0.254 0.000 2.012 859 L HA -0.279 4.061 4.340 0.001 0.000 0.210 859 L C 2.574 179.405 176.870 -0.065 0.000 1.073 859 L CA 1.791 56.677 54.840 0.077 0.000 0.748 859 L CB -0.900 41.234 42.059 0.126 0.000 0.891 859 L HN -0.031 nan 8.230 nan 0.000 0.431 860 K N -0.113 120.269 120.400 -0.030 0.000 2.044 860 K HA -0.216 4.105 4.320 0.001 0.000 0.210 860 K C 2.256 178.801 176.600 -0.092 0.000 1.049 860 K CA 2.009 58.268 56.287 -0.047 0.000 0.927 860 K CB -0.246 32.244 32.500 -0.018 0.000 0.713 860 K HN 0.407 nan 8.250 nan 0.000 0.443 861 S N 0.662 116.281 115.700 -0.134 0.000 2.423 861 S HA -0.045 4.426 4.470 0.001 0.000 0.231 861 S C 1.589 176.047 174.600 -0.238 0.000 1.014 861 S CA 0.812 58.912 58.200 -0.168 0.000 0.965 861 S CB 0.039 63.132 63.200 -0.178 0.000 0.785 861 S HN 0.105 nan 8.310 nan 0.000 0.495 862 K N 1.689 121.883 120.400 -0.343 0.000 2.361 862 K HA 0.259 4.580 4.320 0.001 0.000 0.196 862 K C -0.042 176.441 176.600 -0.194 0.000 1.039 862 K CA 0.243 56.318 56.287 -0.353 0.000 1.001 862 K CB -0.107 32.038 32.500 -0.591 0.000 0.795 862 K HN 0.438 nan 8.250 nan 0.000 0.495 863 N N 1.474 120.091 118.700 -0.139 0.000 2.725 863 N HA 0.177 4.917 4.740 0.001 0.000 0.248 863 N C -2.815 172.664 175.510 -0.053 0.000 1.402 863 N CA -0.830 52.175 53.050 -0.075 0.000 0.766 863 N CB 2.402 40.863 38.487 -0.044 0.000 1.223 863 N HN 0.007 nan 8.380 nan 0.000 0.515 864 P HA 0.232 nan 4.420 nan 0.000 0.276 864 P C 0.975 178.261 177.300 -0.023 0.000 1.261 864 P CA 0.592 63.670 63.100 -0.037 0.000 0.800 864 P CB 0.966 32.643 31.700 -0.039 0.000 1.066 865 G N 1.478 110.268 108.800 -0.017 0.000 2.634 865 G HA2 -0.349 3.611 3.960 0.001 0.000 0.309 865 G HA3 -0.349 3.611 3.960 0.001 0.000 0.309 865 G C 0.834 175.730 174.900 -0.005 0.000 1.265 865 G CA 0.822 45.916 45.100 -0.010 0.000 0.998 865 G HN 0.554 nan 8.290 nan 0.000 0.551 866 E N 1.198 121.397 120.200 -0.001 0.000 2.478 866 E HA 0.338 4.689 4.350 0.001 0.000 0.198 866 E C 2.639 179.244 176.600 0.007 0.000 1.046 866 E CA 0.858 57.261 56.400 0.004 0.000 0.870 866 E CB -0.152 29.551 29.700 0.006 0.000 0.818 866 E HN 0.713 nan 8.360 nan 0.000 0.527 867 A N 0.819 123.641 122.820 0.002 0.000 2.066 867 A HA -0.102 4.219 4.320 0.001 0.000 0.218 867 A C 2.035 179.626 177.584 0.012 0.000 1.157 867 A CA 0.543 52.583 52.037 0.006 0.000 0.670 867 A CB -0.289 18.707 19.000 -0.005 0.000 0.804 867 A HN 0.273 nan 8.150 nan 0.000 0.453 868 L N 0.169 121.396 121.223 0.006 0.000 2.046 868 L HA -0.179 4.162 4.340 0.001 0.000 0.208 868 L C 1.661 178.545 176.870 0.024 0.000 1.077 868 L CA 2.481 57.326 54.840 0.007 0.000 0.747 868 L CB -0.617 41.440 42.059 -0.004 0.000 0.896 868 L HN 0.316 nan 8.230 nan 0.000 0.432 869 D N -0.401 120.015 120.400 0.026 0.000 2.133 869 D HA -0.266 4.374 4.640 0.001 0.000 0.192 869 D C 2.312 178.650 176.300 0.062 0.000 1.001 869 D CA 1.630 55.654 54.000 0.041 0.000 0.844 869 D CB -0.145 40.678 40.800 0.038 0.000 0.944 869 D HN 0.241 nan 8.370 nan 0.000 0.447 870 R N 0.779 121.316 120.500 0.062 0.000 2.115 870 R HA 0.042 4.383 4.340 0.001 0.000 0.230 870 R C 1.919 178.282 176.300 0.104 0.000 1.111 870 R CA 1.469 57.618 56.100 0.082 0.000 0.976 870 R CB -0.497 29.846 30.300 0.072 0.000 0.870 870 R HN 0.097 nan 8.270 nan 0.000 0.445 871 A N 0.397 123.273 122.820 0.094 0.000 1.898 871 A HA -0.056 4.264 4.320 0.001 0.000 0.216 871 A C 2.193 179.874 177.584 0.161 0.000 1.181 871 A CA 1.442 53.554 52.037 0.124 0.000 0.620 871 A CB -0.509 18.547 19.000 0.093 0.000 0.819 871 A HN 0.358 nan 8.150 nan 0.000 0.442 872 I N -0.600 120.038 120.570 0.114 0.000 2.361 872 I HA -0.222 3.948 4.170 0.001 0.000 0.251 872 I C 2.482 178.716 176.117 0.195 0.000 1.133 872 I CA 1.693 63.064 61.300 0.119 0.000 1.413 872 I CB -0.146 37.879 38.000 0.042 0.000 1.073 872 I HN 0.400 nan 8.210 nan 0.000 0.424 873 E N 1.042 121.343 120.200 0.168 0.000 2.107 873 E HA -0.188 4.162 4.350 0.001 0.000 0.191 873 E C 2.034 178.742 176.600 0.180 0.000 0.982 873 E CA 1.141 57.650 56.400 0.182 0.000 0.809 873 E CB 0.029 29.816 29.700 0.146 0.000 0.756 873 E HN 0.290 nan 8.360 nan 0.000 0.459 874 E N -0.120 120.187 120.200 0.177 0.000 2.051 874 E HA -0.198 4.152 4.350 0.001 0.000 0.192 874 E C 1.994 178.714 176.600 0.200 0.000 0.991 874 E CA 0.999 57.499 56.400 0.166 0.000 0.799 874 E CB -0.529 29.275 29.700 0.173 0.000 0.748 874 E HN 0.377 nan 8.360 nan 0.000 0.449 875 F N 1.936 121.945 119.950 0.099 0.000 2.126 875 F HA -0.220 4.307 4.527 0.001 0.000 0.299 875 F C 2.379 178.235 175.800 0.094 0.000 1.096 875 F CA 1.779 59.826 58.000 0.079 0.000 1.255 875 F CB -0.134 38.896 39.000 0.050 0.000 0.997 875 F HN -0.068 nan 8.300 nan 0.000 0.479 876 T N 1.310 116.079 114.554 0.359 0.000 2.770 876 T HA -0.121 4.230 4.350 0.001 0.000 0.263 876 T C 2.053 176.947 174.700 0.324 0.000 1.039 876 T CA 1.600 63.909 62.100 0.348 0.000 1.142 876 T CB -0.478 68.633 68.868 0.405 0.000 0.868 876 T HN 0.192 nan 8.240 nan 0.000 0.435 877 L N 1.592 122.905 121.223 0.149 0.000 1.970 877 L HA -0.161 4.180 4.340 0.001 0.000 0.212 877 L C 2.986 179.875 176.870 0.031 0.000 1.071 877 L CA 1.731 56.543 54.840 -0.046 0.000 0.751 877 L CB -0.884 41.080 42.059 -0.159 0.000 0.889 877 L HN 0.372 nan 8.230 nan 0.000 0.432 878 S N -1.174 114.567 115.700 0.068 0.000 2.370 878 S HA -0.289 4.181 4.470 0.001 0.000 0.226 878 S C 2.208 176.934 174.600 0.211 0.000 1.033 878 S CA 1.260 59.552 58.200 0.153 0.000 1.011 878 S CB -1.353 61.952 63.200 0.176 0.000 0.852 878 S HN 0.535 nan 8.310 nan 0.000 0.457 879 C N 2.212 121.541 119.300 0.048 0.000 2.413 879 C HA 0.086 4.547 4.460 0.001 0.000 0.276 879 C C 3.179 178.423 174.990 0.424 0.000 1.248 879 C CA 0.953 60.036 59.018 0.109 0.000 1.742 879 C CB -1.848 25.816 27.740 -0.126 0.000 2.017 879 C HN 0.712 nan 8.230 nan 0.000 0.481 880 A N 0.334 123.466 122.820 0.520 0.000 1.883 880 A HA 0.047 4.367 4.320 0.001 0.000 0.217 880 A C 2.478 180.135 177.584 0.121 0.000 1.186 880 A CA 2.275 54.518 52.037 0.344 0.000 0.624 880 A CB -1.525 17.593 19.000 0.198 0.000 0.822 880 A HN 0.686 nan 8.150 nan 0.000 0.444 881 G N -1.716 107.072 108.800 -0.021 0.000 2.421 881 G HA2 -0.214 3.746 3.960 0.001 0.000 0.216 881 G HA3 -0.214 3.746 3.960 0.001 0.000 0.216 881 G C 1.453 176.359 174.900 0.010 0.000 1.171 881 G CA 1.235 46.231 45.100 -0.172 0.000 0.775 881 G HN 0.564 nan 8.290 nan 0.000 0.543 882 Y N -0.048 120.363 120.300 0.183 0.000 2.373 882 Y HA -0.012 4.539 4.550 0.001 0.000 0.293 882 Y C 3.038 178.968 175.900 0.049 0.000 1.129 882 Y CA 0.367 58.521 58.100 0.091 0.000 1.226 882 Y CB -0.443 38.042 38.460 0.042 0.000 1.000 882 Y HN 0.213 nan 8.280 nan 0.000 0.549 883 C N -1.157 118.286 119.300 0.237 0.000 2.446 883 C HA -0.112 4.348 4.460 0.001 0.000 0.277 883 C C 2.736 177.782 174.990 0.094 0.000 1.275 883 C CA 0.896 59.941 59.018 0.045 0.000 1.727 883 C CB -0.988 26.801 27.740 0.082 0.000 2.010 883 C HN 0.351 nan 8.230 nan 0.000 0.486 884 V N 1.247 121.373 119.914 0.352 0.000 2.307 884 V HA -0.157 3.964 4.120 0.001 0.000 0.245 884 V C 2.687 179.050 176.094 0.449 0.000 1.045 884 V CA 2.166 64.791 62.300 0.543 0.000 1.024 884 V CB -1.246 30.861 31.823 0.474 0.000 0.651 884 V HN 0.580 nan 8.190 nan 0.000 0.449 885 A N 0.897 123.914 122.820 0.329 0.000 1.902 885 A HA -0.218 4.103 4.320 0.001 0.000 0.217 885 A C 2.480 180.155 177.584 0.150 0.000 1.181 885 A CA 2.465 54.624 52.037 0.202 0.000 0.623 885 A CB -0.978 18.094 19.000 0.119 0.000 0.818 885 A HN 0.637 nan 8.150 nan 0.000 0.443 886 T N -3.720 110.928 114.554 0.158 0.000 2.904 886 T HA -0.178 4.173 4.350 0.001 0.000 0.267 886 T C 1.809 176.627 174.700 0.197 0.000 1.059 886 T CA 1.474 63.662 62.100 0.146 0.000 1.137 886 T CB -0.480 68.453 68.868 0.109 0.000 0.879 886 T HN 0.494 nan 8.240 nan 0.000 0.467 887 Y N 2.098 122.473 120.300 0.125 0.000 2.206 887 Y HA 0.103 4.653 4.550 0.001 0.000 0.292 887 Y C 2.313 178.357 175.900 0.239 0.000 1.123 887 Y CA 0.600 58.821 58.100 0.202 0.000 1.142 887 Y CB -0.541 38.122 38.460 0.338 0.000 1.006 887 Y HN 0.043 nan 8.280 nan 0.000 0.518 888 V N 1.009 120.984 119.914 0.102 0.000 2.332 888 V HA -0.314 3.807 4.120 0.001 0.000 0.248 888 V C 2.262 178.293 176.094 -0.104 0.000 1.055 888 V CA 2.110 64.374 62.300 -0.060 0.000 1.038 888 V CB -0.747 31.078 31.823 0.004 0.000 0.651 888 V HN 0.450 nan 8.190 nan 0.000 0.450 889 L N 0.265 121.453 121.223 -0.059 0.000 2.599 889 L HA 0.281 4.622 4.340 0.001 0.000 0.230 889 L C 1.560 178.366 176.870 -0.107 0.000 1.141 889 L CA 0.713 55.484 54.840 -0.115 0.000 0.877 889 L CB -0.683 41.349 42.059 -0.045 0.000 1.009 889 L HN 0.547 nan 8.230 nan 0.000 0.447 890 G N 1.654 110.462 108.800 0.013 0.000 2.272 890 G HA2 -0.278 3.682 3.960 0.001 0.000 0.280 890 G HA3 -0.278 3.682 3.960 0.001 0.000 0.280 890 G C -0.055 174.848 174.900 0.005 0.000 1.067 890 G CA -0.107 44.954 45.100 -0.064 0.000 0.902 890 G HN 0.321 nan 8.290 nan 0.000 0.500 891 I N 0.803 121.449 120.570 0.126 0.000 2.339 891 I HA 0.610 4.781 4.170 0.001 0.000 0.290 891 I C 1.068 177.298 176.117 0.190 0.000 0.994 891 I CA -0.083 61.338 61.300 0.202 0.000 1.191 891 I CB 1.499 39.658 38.000 0.265 0.000 1.343 891 I HN 0.235 nan 8.210 nan 0.000 0.458 892 G N 2.639 111.545 108.800 0.177 0.000 3.175 892 G HA2 0.328 4.289 3.960 0.001 0.000 0.255 892 G HA3 0.328 4.289 3.960 0.001 0.000 0.255 892 G C -0.339 174.630 174.900 0.115 0.000 1.352 892 G CA -0.349 44.827 45.100 0.127 0.000 1.037 892 G HN 0.587 nan 8.290 nan 0.000 0.556 893 D N -0.783 119.655 120.400 0.063 0.000 2.751 893 D HA -0.135 4.506 4.640 0.001 0.000 0.233 893 D C 0.459 176.658 176.300 -0.168 0.000 1.149 893 D CA 0.488 54.496 54.000 0.013 0.000 0.682 893 D CB -0.460 40.391 40.800 0.085 0.000 1.068 893 D HN 0.274 nan 8.370 nan 0.000 0.429 894 R N 0.868 121.330 120.500 -0.064 0.000 2.543 894 R HA 0.485 4.825 4.340 0.001 0.000 0.277 894 R C 0.600 176.827 176.300 -0.122 0.000 1.074 894 R CA 0.069 56.108 56.100 -0.102 0.000 1.076 894 R CB 0.750 31.129 30.300 0.133 0.000 0.993 894 R HN 0.578 nan 8.270 nan 0.000 0.459 895 H N -3.160 115.923 119.070 0.022 0.000 2.950 895 H HA 0.089 4.646 4.556 0.001 0.000 0.307 895 H C 0.462 175.773 175.328 -0.028 0.000 1.403 895 H CA -0.443 55.605 56.048 -0.001 0.000 1.145 895 H CB 0.008 29.770 29.762 -0.000 0.000 1.844 895 H HN 0.391 nan 8.280 nan 0.000 0.515 896 S N -0.760 115.054 115.700 0.189 0.000 2.440 896 S HA -0.234 4.236 4.470 0.001 0.000 0.240 896 S C 0.865 175.487 174.600 0.037 0.000 1.014 896 S CA 1.679 59.927 58.200 0.081 0.000 0.980 896 S CB -0.408 62.812 63.200 0.033 0.000 0.775 896 S HN 0.637 nan 8.310 nan 0.000 0.499 897 D N 2.662 123.131 120.400 0.115 0.000 2.149 897 D HA -0.065 4.576 4.640 0.001 0.000 0.201 897 D C 1.423 177.741 176.300 0.030 0.000 0.972 897 D CA 1.335 55.362 54.000 0.045 0.000 0.835 897 D CB -0.326 40.471 40.800 -0.004 0.000 0.966 897 D HN 0.894 nan 8.370 nan 0.000 0.476 898 N N 0.056 118.796 118.700 0.066 0.000 2.275 898 N HA 0.124 4.865 4.740 0.001 0.000 0.236 898 N C 0.016 175.349 175.510 -0.295 0.000 1.154 898 N CA -0.101 52.874 53.050 -0.125 0.000 0.866 898 N CB 0.905 39.304 38.487 -0.147 0.000 1.093 898 N HN 0.072 nan 8.380 nan 0.000 0.515 899 I N 1.136 121.519 120.570 -0.311 0.000 2.530 899 I HA 0.446 4.616 4.170 0.001 0.000 0.297 899 I C -0.318 175.496 176.117 -0.506 0.000 1.011 899 I CA -0.838 60.151 61.300 -0.519 0.000 1.107 899 I CB 2.029 39.756 38.000 -0.456 0.000 1.285 899 I HN -0.071 nan 8.210 nan 0.000 0.436 900 M N 5.846 124.987 119.600 -0.765 0.000 2.690 900 M HA 0.623 5.103 4.480 0.001 0.000 0.302 900 M C -1.344 174.534 176.300 -0.704 0.000 1.234 900 M CA -0.898 53.931 55.300 -0.785 0.000 0.853 900 M CB 2.919 34.879 32.600 -1.066 0.000 1.748 900 M HN 0.373 nan 8.290 nan 0.000 0.469 901 I N -1.171 119.152 120.570 -0.411 0.000 2.647 901 I HA 0.633 4.803 4.170 0.001 0.000 0.295 901 I C -0.693 175.504 176.117 0.133 0.000 1.078 901 I CA -0.813 60.413 61.300 -0.124 0.000 1.048 901 I CB 1.587 39.541 38.000 -0.077 0.000 1.239 901 I HN 0.565 nan 8.210 nan 0.000 0.421 902 R N 2.356 123.061 120.500 0.342 0.000 2.543 902 R HA 0.345 4.685 4.340 0.001 0.000 0.268 902 R C 0.382 176.983 176.300 0.502 0.000 1.067 902 R CA -0.623 55.733 56.100 0.428 0.000 1.142 902 R CB 1.022 31.542 30.300 0.366 0.000 1.110 902 R HN 0.735 nan 8.270 nan 0.000 0.549 903 E N 0.246 120.696 120.200 0.417 0.000 2.409 903 E HA -0.119 4.232 4.350 0.001 0.000 0.198 903 E C 1.310 177.981 176.600 0.119 0.000 1.024 903 E CA 1.197 57.713 56.400 0.193 0.000 0.861 903 E CB 0.208 29.928 29.700 0.033 0.000 0.788 903 E HN 0.542 nan 8.360 nan 0.000 0.521 904 S N -1.471 114.337 115.700 0.179 0.000 2.558 904 S HA 0.162 4.633 4.470 0.001 0.000 0.217 904 S C 1.592 176.308 174.600 0.193 0.000 0.975 904 S CA 0.372 58.660 58.200 0.147 0.000 0.912 904 S CB 0.715 64.003 63.200 0.146 0.000 0.776 904 S HN 0.341 nan 8.310 nan 0.000 0.526 905 G N 0.461 109.427 108.800 0.277 0.000 2.259 905 G HA2 -0.223 3.738 3.960 0.001 0.000 0.217 905 G HA3 -0.223 3.738 3.960 0.001 0.000 0.217 905 G C -0.116 174.985 174.900 0.336 0.000 1.001 905 G CA -0.253 45.050 45.100 0.339 0.000 0.627 905 G HN 0.550 nan 8.290 nan 0.000 0.501 906 Q N 0.719 120.677 119.800 0.263 0.000 2.255 906 Q HA 0.491 4.832 4.340 0.001 0.000 0.280 906 Q C 0.373 176.496 176.000 0.204 0.000 1.068 906 Q CA 0.161 56.098 55.803 0.223 0.000 0.911 906 Q CB 1.233 30.115 28.738 0.240 0.000 1.157 906 Q HN 0.577 nan 8.270 nan 0.000 0.380 907 L N 4.855 126.096 121.223 0.030 0.000 2.325 907 L HA 0.687 5.028 4.340 0.001 0.000 0.279 907 L C -1.076 175.769 176.870 -0.042 0.000 1.054 907 L CA -0.703 54.034 54.840 -0.172 0.000 0.804 907 L CB 0.490 42.200 42.059 -0.582 0.000 1.200 907 L HN 0.683 nan 8.230 nan 0.000 0.436 908 F N 1.043 120.775 119.950 -0.363 0.000 2.686 908 F HA 0.523 5.051 4.527 0.001 0.000 0.311 908 F C -1.266 174.258 175.800 -0.459 0.000 1.128 908 F CA -1.020 56.588 58.000 -0.653 0.000 0.946 908 F CB 1.144 40.010 39.000 -0.223 0.000 1.336 908 F HN 0.382 nan 8.300 nan 0.000 0.457 909 H N 1.877 120.695 119.070 -0.419 0.000 2.499 909 H HA 0.769 5.326 4.556 0.001 0.000 0.340 909 H C -0.595 174.646 175.328 -0.145 0.000 1.148 909 H CA -0.547 55.355 56.048 -0.244 0.000 1.215 909 H CB 2.629 32.373 29.762 -0.029 0.000 1.529 909 H HN 0.794 nan 8.280 nan 0.000 0.510 910 I N -1.550 118.831 120.570 -0.314 0.000 3.042 910 I HA 0.326 4.496 4.170 0.001 0.000 0.310 910 I C -0.587 175.208 176.117 -0.538 0.000 1.117 910 I CA -1.052 60.077 61.300 -0.286 0.000 1.003 910 I CB 2.258 40.181 38.000 -0.128 0.000 1.228 910 I HN 0.501 nan 8.210 nan 0.000 0.443 911 D N 2.414 122.604 120.400 -0.351 0.000 3.082 911 D HA -0.223 4.417 4.640 0.001 0.000 0.234 911 D C 0.080 176.258 176.300 -0.203 0.000 1.159 911 D CA 0.718 54.611 54.000 -0.178 0.000 0.875 911 D CB -0.542 40.201 40.800 -0.095 0.000 0.946 911 D HN 0.601 nan 8.370 nan 0.000 0.411 912 F N 0.375 120.352 119.950 0.046 0.000 2.069 912 F HA 0.034 4.561 4.527 0.000 0.000 0.298 912 F C 2.662 178.474 175.800 0.020 0.000 1.113 912 F CA 1.805 59.834 58.000 0.047 0.000 1.214 912 F CB -0.034 39.004 39.000 0.063 0.000 0.978 912 F HN 0.425 nan 8.300 nan 0.000 0.474 913 G N -1.939 106.900 108.800 0.065 0.000 4.432 913 G HA2 0.326 4.287 3.960 0.001 0.000 0.294 913 G HA3 0.326 4.287 3.960 0.001 0.000 0.294 913 G C -0.986 173.682 174.900 -0.386 0.000 1.141 913 G CA -0.060 44.985 45.100 -0.092 0.000 0.895 913 G HN 0.312 nan 8.290 nan 0.000 0.548 914 H N -0.286 118.814 119.070 0.051 0.000 2.806 914 H HA 0.672 5.228 4.556 0.001 0.000 0.367 914 H C -0.767 174.635 175.328 0.123 0.000 1.136 914 H CA -0.830 55.237 56.048 0.031 0.000 1.178 914 H CB 2.317 32.140 29.762 0.102 0.000 1.718 914 H HN 0.160 nan 8.280 nan 0.000 0.540 915 F N -0.581 119.448 119.950 0.133 0.000 2.824 915 F HA 0.470 4.998 4.527 0.001 0.000 0.330 915 F C -0.366 175.347 175.800 -0.144 0.000 1.175 915 F CA -2.356 55.646 58.000 0.003 0.000 0.974 915 F CB 0.139 39.138 39.000 -0.003 0.000 1.430 915 F HN 0.540 nan 8.300 nan 0.000 0.507 916 L N 0.909 121.983 121.223 -0.249 0.000 3.839 916 L HA -0.161 4.180 4.340 0.001 0.000 0.416 916 L C 1.141 177.395 176.870 -1.026 0.000 1.195 916 L CA 0.957 55.319 54.840 -0.797 0.000 0.946 916 L CB -2.092 39.666 42.059 -0.502 0.000 1.891 916 L HN 1.677 nan 8.230 nan 0.000 0.963 917 G N -0.361 107.970 108.800 -0.782 0.000 2.184 917 G HA2 -0.353 3.608 3.960 0.001 0.000 0.264 917 G HA3 -0.353 3.608 3.960 0.001 0.000 0.264 917 G C 0.110 175.062 174.900 0.087 0.000 0.975 917 G CA 0.642 45.540 45.100 -0.336 0.000 0.642 917 G HN 0.860 nan 8.290 nan 0.000 0.536 918 N N 0.641 119.375 118.700 0.057 0.000 2.439 918 N HA 0.580 5.321 4.740 0.001 0.000 0.249 918 N C 0.086 175.639 175.510 0.071 0.000 1.003 918 N CA -0.733 52.377 53.050 0.098 0.000 0.942 918 N CB 0.618 39.126 38.487 0.035 0.000 1.115 918 N HN 0.437 nan 8.380 nan 0.000 0.505 930 V N 5.443 125.536 119.914 0.299 0.000 2.406 930 V HA 0.779 4.900 4.120 0.001 0.000 0.272 930 V C -1.965 174.277 176.094 0.247 0.000 1.043 930 V CA -1.554 60.869 62.300 0.206 0.000 0.915 930 V CB 1.045 32.969 31.823 0.169 0.000 0.988 930 V HN 0.746 nan 8.190 nan 0.000 0.466 931 P HA 0.140 nan 4.420 nan 0.000 0.269 931 P C -0.418 177.051 177.300 0.282 0.000 1.215 931 P CA -0.246 62.979 63.100 0.209 0.000 0.780 931 P CB 0.510 32.263 31.700 0.089 0.000 0.898 932 F N 2.165 122.144 119.950 0.049 0.000 2.563 932 F HA 0.132 4.660 4.527 0.001 0.000 0.363 932 F C 0.294 176.055 175.800 -0.066 0.000 1.123 932 F CA 0.279 58.213 58.000 -0.110 0.000 1.307 932 F CB 0.270 38.938 39.000 -0.554 0.000 1.115 932 F HN 0.080 nan 8.300 nan 0.000 0.592 933 I N 7.661 128.009 120.570 -0.370 0.000 2.418 933 I HA 0.272 4.443 4.170 0.001 0.000 0.287 933 I C -0.837 175.206 176.117 -0.123 0.000 1.008 933 I CA -0.576 60.632 61.300 -0.153 0.000 1.104 933 I CB 1.318 39.273 38.000 -0.075 0.000 1.264 933 I HN 0.504 nan 8.210 nan 0.000 0.438 934 L N 6.003 127.238 121.223 0.020 0.000 2.318 934 L HA 0.353 4.694 4.340 0.001 0.000 0.277 934 L C 0.159 177.052 176.870 0.039 0.000 1.008 934 L CA -0.411 54.490 54.840 0.103 0.000 0.846 934 L CB 1.642 43.798 42.059 0.162 0.000 1.220 934 L HN 0.553 nan 8.230 nan 0.000 0.423 935 T N 1.052 115.551 114.554 -0.091 0.000 2.814 935 T HA -0.019 4.331 4.350 0.001 0.000 0.297 935 T C 0.840 175.459 174.700 -0.135 0.000 0.956 935 T CA -0.191 61.745 62.100 -0.274 0.000 1.123 935 T CB 0.875 69.190 68.868 -0.921 0.000 0.902 935 T HN 0.436 nan 8.240 nan 0.000 0.528 936 Y N 3.096 123.359 120.300 -0.062 0.000 2.241 936 Y HA -0.243 4.308 4.550 0.001 0.000 0.286 936 Y C 1.696 177.605 175.900 0.015 0.000 1.166 936 Y CA 1.747 59.864 58.100 0.028 0.000 1.203 936 Y CB -0.361 38.175 38.460 0.127 0.000 0.977 936 Y HN 0.660 nan 8.280 nan 0.000 0.529 937 D N -0.720 119.529 120.400 -0.251 0.000 2.178 937 D HA -0.141 4.500 4.640 0.001 0.000 0.202 937 D C 1.762 178.132 176.300 0.118 0.000 0.974 937 D CA 1.408 55.289 54.000 -0.198 0.000 0.841 937 D CB -0.266 40.495 40.800 -0.065 0.000 0.953 937 D HN 0.348 nan 8.370 nan 0.000 0.478 938 F N -0.142 119.857 119.950 0.083 0.000 2.234 938 F HA 0.016 4.543 4.527 0.001 0.000 0.296 938 F C 2.388 178.251 175.800 0.105 0.000 1.089 938 F CA 0.081 58.232 58.000 0.252 0.000 1.343 938 F CB -1.202 37.996 39.000 0.329 0.000 1.040 938 F HN -0.135 nan 8.300 nan 0.000 0.498 939 V N 0.091 120.123 119.914 0.196 0.000 2.332 939 V HA -0.336 3.784 4.120 0.001 0.000 0.248 939 V C 2.430 178.542 176.094 0.030 0.000 1.055 939 V CA 2.399 64.782 62.300 0.138 0.000 1.038 939 V CB -0.997 30.939 31.823 0.188 0.000 0.651 939 V HN 0.346 nan 8.190 nan 0.000 0.450 940 H N -0.126 118.794 119.070 -0.251 0.000 2.352 940 H HA -0.140 4.417 4.556 0.001 0.000 0.299 940 H C 2.052 177.271 175.328 -0.181 0.000 1.097 940 H CA 2.213 58.082 56.048 -0.299 0.000 1.311 940 H CB -0.142 29.301 29.762 -0.532 0.000 1.377 940 H HN 0.198 nan 8.280 nan 0.000 0.504 941 V N 0.336 120.143 119.914 -0.179 0.000 2.379 941 V HA -0.192 3.929 4.120 0.001 0.000 0.245 941 V C 2.535 178.483 176.094 -0.243 0.000 1.044 941 V CA 1.746 63.843 62.300 -0.339 0.000 1.036 941 V CB -0.457 30.912 31.823 -0.757 0.000 0.664 941 V HN 0.439 nan 8.190 nan 0.000 0.453 942 I N -0.167 120.350 120.570 -0.089 0.000 2.264 942 I HA -0.289 3.882 4.170 0.001 0.000 0.248 942 I C 2.156 178.283 176.117 0.016 0.000 1.111 942 I CA 1.540 62.850 61.300 0.018 0.000 1.382 942 I CB -0.294 37.693 38.000 -0.022 0.000 1.060 942 I HN 0.380 nan 8.210 nan 0.000 0.418 943 Q N 0.577 120.360 119.800 -0.028 0.000 2.282 943 Q HA 0.023 4.364 4.340 0.001 0.000 0.205 943 Q C 0.038 175.970 176.000 -0.112 0.000 0.915 943 Q CA -0.000 55.785 55.803 -0.029 0.000 0.949 943 Q CB 0.336 29.059 28.738 -0.026 0.000 1.035 943 Q HN 0.436 nan 8.270 nan 0.000 0.484 944 Q N -1.453 118.266 119.800 -0.134 0.000 2.468 944 Q HA -0.284 4.057 4.340 0.001 0.000 0.256 944 Q C 0.640 176.515 176.000 -0.209 0.000 0.984 944 Q CA 0.422 56.144 55.803 -0.135 0.000 1.110 944 Q CB -1.674 27.025 28.738 -0.064 0.000 1.527 944 Q HN 0.744 nan 8.270 nan 0.000 0.535 945 G N -0.637 107.915 108.800 -0.414 0.000 2.157 945 G HA2 -0.324 3.637 3.960 0.001 0.000 0.248 945 G HA3 -0.324 3.637 3.960 0.001 0.000 0.248 945 G C -0.033 174.639 174.900 -0.381 0.000 0.979 945 G CA 0.463 45.210 45.100 -0.590 0.000 0.650 945 G HN 0.273 nan 8.290 nan 0.000 0.529 946 K N 0.135 120.386 120.400 -0.248 0.000 2.098 946 K HA 0.573 4.894 4.320 0.001 0.000 0.261 946 K C 1.509 178.077 176.600 -0.054 0.000 0.987 946 K CA -0.014 56.211 56.287 -0.104 0.000 0.916 946 K CB 1.003 33.469 32.500 -0.057 0.000 1.039 946 K HN 0.028 nan 8.250 nan 0.000 0.455 947 T N 0.959 115.514 114.554 0.000 0.000 2.746 947 T HA -0.085 4.265 4.350 0.001 0.000 0.267 947 T C 0.321 175.029 174.700 0.014 0.000 1.039 947 T CA 1.183 63.301 62.100 0.029 0.000 1.142 947 T CB -0.101 68.767 68.868 -0.001 0.000 0.866 947 T HN 0.515 nan 8.240 nan 0.000 0.444 948 N N 1.906 120.605 118.700 -0.002 0.000 2.352 948 N HA 0.365 5.106 4.740 0.001 0.000 0.291 948 N C -1.434 174.082 175.510 0.010 0.000 1.040 948 N CA -0.423 52.626 53.050 -0.001 0.000 0.864 948 N CB 1.660 40.145 38.487 -0.004 0.000 1.440 948 N HN 0.047 nan 8.380 nan 0.000 0.483 949 N N 0.554 119.274 118.700 0.033 0.000 2.884 949 N HA -0.008 4.733 4.740 0.001 0.000 0.211 949 N C 0.165 175.745 175.510 0.117 0.000 1.442 949 N CA -0.195 52.889 53.050 0.057 0.000 0.757 949 N CB 0.231 38.743 38.487 0.041 0.000 1.461 949 N HN 0.405 nan 8.380 nan 0.000 0.557 950 S N 0.061 115.825 115.700 0.107 0.000 2.489 950 S HA -0.102 4.369 4.470 0.001 0.000 0.228 950 S C 1.461 176.152 174.600 0.151 0.000 0.995 950 S CA 0.984 59.281 58.200 0.162 0.000 0.934 950 S CB 0.028 63.296 63.200 0.113 0.000 0.771 950 S HN 0.600 nan 8.310 nan 0.000 0.522 951 E N 1.490 121.750 120.200 0.099 0.000 2.106 951 E HA -0.142 4.209 4.350 0.001 0.000 0.192 951 E C 1.880 178.527 176.600 0.079 0.000 0.984 951 E CA 1.001 57.443 56.400 0.071 0.000 0.806 951 E CB -0.005 29.726 29.700 0.050 0.000 0.750 951 E HN 0.278 nan 8.360 nan 0.000 0.458 952 K N -0.142 120.326 120.400 0.113 0.000 2.128 952 K HA -0.038 4.283 4.320 0.001 0.000 0.202 952 K C 1.953 178.662 176.600 0.183 0.000 1.050 952 K CA 0.666 57.027 56.287 0.124 0.000 0.966 952 K CB -0.482 32.085 32.500 0.113 0.000 0.759 952 K HN 0.201 nan 8.250 nan 0.000 0.454 953 F N 3.103 123.122 119.950 0.114 0.000 2.134 953 F HA -0.146 4.381 4.527 0.001 0.000 0.299 953 F C 1.921 177.857 175.800 0.227 0.000 1.097 953 F CA 1.501 59.625 58.000 0.207 0.000 1.264 953 F CB 0.213 39.327 39.000 0.190 0.000 1.001 953 F HN -0.016 nan 8.300 nan 0.000 0.479 954 E N 0.252 120.517 120.200 0.108 0.000 2.216 954 E HA -0.105 4.245 4.350 0.001 0.000 0.192 954 E C 2.319 178.798 176.600 -0.201 0.000 0.988 954 E CA 0.567 56.925 56.400 -0.070 0.000 0.834 954 E CB -0.397 29.315 29.700 0.020 0.000 0.772 954 E HN 0.499 nan 8.360 nan 0.000 0.479 955 R N 0.003 120.396 120.500 -0.177 0.000 2.127 955 R HA -0.124 4.217 4.340 0.001 0.000 0.238 955 R C 2.237 178.122 176.300 -0.691 0.000 1.134 955 R CA 1.048 56.904 56.100 -0.408 0.000 0.975 955 R CB -0.408 29.714 30.300 -0.296 0.000 0.865 955 R HN 0.145 nan 8.270 nan 0.000 0.447 956 F N 1.832 121.501 119.950 -0.468 0.000 2.102 956 F HA -0.164 4.364 4.527 0.001 0.000 0.298 956 F C 2.537 178.161 175.800 -0.294 0.000 1.105 956 F CA 1.409 59.238 58.000 -0.284 0.000 1.239 956 F CB -0.301 38.622 39.000 -0.129 0.000 0.991 956 F HN -0.201 nan 8.300 nan 0.000 0.474 957 R N 0.286 120.418 120.500 -0.614 0.000 2.103 957 R HA -0.154 4.186 4.340 0.001 0.000 0.242 957 R C 2.477 178.430 176.300 -0.579 0.000 1.142 957 R CA 1.670 57.275 56.100 -0.824 0.000 0.960 957 R CB -1.225 28.585 30.300 -0.816 0.000 0.858 957 R HN 0.497 nan 8.270 nan 0.000 0.439 958 G N -0.006 108.523 108.800 -0.452 0.000 2.446 958 G HA2 -0.289 3.671 3.960 0.001 0.000 0.217 958 G HA3 -0.289 3.671 3.960 0.001 0.000 0.217 958 G C 0.999 175.777 174.900 -0.203 0.000 1.168 958 G CA 0.971 45.880 45.100 -0.319 0.000 0.771 958 G HN 0.313 nan 8.290 nan 0.000 0.551 959 Y N 0.747 120.922 120.300 -0.208 0.000 2.069 959 Y HA -0.193 4.357 4.550 0.001 0.000 0.278 959 Y C 3.250 178.987 175.900 -0.272 0.000 1.175 959 Y CA 0.389 58.364 58.100 -0.209 0.000 1.134 959 Y CB -1.420 36.958 38.460 -0.136 0.000 0.965 959 Y HN 0.231 nan 8.280 nan 0.000 0.498 960 C N -0.157 119.047 119.300 -0.160 0.000 2.413 960 C HA -0.199 4.261 4.460 0.001 0.000 0.276 960 C C 2.626 177.540 174.990 -0.128 0.000 1.248 960 C CA 1.133 60.091 59.018 -0.101 0.000 1.742 960 C CB -1.038 26.663 27.740 -0.065 0.000 2.017 960 C HN 0.571 nan 8.230 nan 0.000 0.481 961 E N 0.091 120.179 120.200 -0.186 0.000 2.072 961 E HA -0.158 4.192 4.350 0.001 0.000 0.191 961 E C 2.449 178.966 176.600 -0.139 0.000 0.985 961 E CA 0.874 57.148 56.400 -0.211 0.000 0.801 961 E CB -0.159 29.442 29.700 -0.165 0.000 0.750 961 E HN 0.568 nan 8.360 nan 0.000 0.452 962 R N 0.389 120.827 120.500 -0.104 0.000 2.073 962 R HA -0.114 4.226 4.340 0.001 0.000 0.234 962 R C 2.384 178.636 176.300 -0.079 0.000 1.134 962 R CA 1.206 57.265 56.100 -0.069 0.000 0.952 962 R CB -0.291 29.982 30.300 -0.045 0.000 0.850 962 R HN 0.095 nan 8.270 nan 0.000 0.433 963 A N 0.288 122.993 122.820 -0.190 0.000 1.883 963 A HA -0.243 4.078 4.320 0.001 0.000 0.217 963 A C 2.017 179.717 177.584 0.194 0.000 1.186 963 A CA 1.457 53.310 52.037 -0.307 0.000 0.624 963 A CB -0.819 17.786 19.000 -0.658 0.000 0.822 963 A HN 0.498 nan 8.150 nan 0.000 0.444 964 Y N 1.882 122.127 120.300 -0.090 0.000 2.200 964 Y HA -0.201 4.349 4.550 0.001 0.000 0.290 964 Y C 2.809 178.656 175.900 -0.089 0.000 1.137 964 Y CA 2.412 60.427 58.100 -0.142 0.000 1.163 964 Y CB -0.660 37.392 38.460 -0.680 0.000 0.988 964 Y HN 0.439 nan 8.280 nan 0.000 0.518 965 T N -1.721 112.719 114.554 -0.191 0.000 2.904 965 T HA -0.126 4.224 4.350 0.001 0.000 0.267 965 T C 1.944 176.585 174.700 -0.099 0.000 1.059 965 T CA 1.515 63.487 62.100 -0.214 0.000 1.137 965 T CB -0.766 68.048 68.868 -0.090 0.000 0.879 965 T HN 0.391 nan 8.240 nan 0.000 0.467 966 I N 1.018 121.617 120.570 0.048 0.000 2.315 966 I HA -0.060 4.110 4.170 0.001 0.000 0.248 966 I C 2.459 178.702 176.117 0.210 0.000 1.117 966 I CA 1.056 62.461 61.300 0.175 0.000 1.404 966 I CB -0.400 37.801 38.000 0.334 0.000 1.071 966 I HN 0.192 nan 8.210 nan 0.000 0.419 967 L N 0.080 121.399 121.223 0.161 0.000 2.046 967 L HA -0.186 4.155 4.340 0.001 0.000 0.208 967 L C 2.738 179.622 176.870 0.022 0.000 1.077 967 L CA 1.306 56.212 54.840 0.110 0.000 0.747 967 L CB -0.696 41.353 42.059 -0.018 0.000 0.896 967 L HN 0.195 nan 8.230 nan 0.000 0.432 968 R N 0.172 120.563 120.500 -0.182 0.000 2.117 968 R HA -0.179 4.161 4.340 0.001 0.000 0.243 968 R C 2.318 178.559 176.300 -0.098 0.000 1.143 968 R CA 1.325 57.309 56.100 -0.193 0.000 0.968 968 R CB -0.379 29.735 30.300 -0.309 0.000 0.863 968 R HN 0.428 nan 8.270 nan 0.000 0.444 969 R N -0.292 120.153 120.500 -0.091 0.000 2.189 969 R HA -0.085 4.255 4.340 0.001 0.000 0.223 969 R C 0.522 176.621 176.300 -0.334 0.000 1.092 969 R CA 1.044 57.026 56.100 -0.196 0.000 0.989 969 R CB -0.077 30.083 30.300 -0.234 0.000 0.876 969 R HN 0.467 nan 8.270 nan 0.000 0.457 970 H N -1.503 117.585 119.070 0.031 0.000 2.475 970 H HA 0.205 4.761 4.556 0.001 0.000 0.276 970 H C 1.488 176.884 175.328 0.113 0.000 1.126 970 H CA -0.025 56.047 56.048 0.041 0.000 1.023 970 H CB 0.782 30.560 29.762 0.025 0.000 1.669 970 H HN 0.213 nan 8.280 nan 0.000 0.573 971 G N 0.741 109.620 108.800 0.132 0.000 2.440 971 G HA2 -0.240 3.721 3.960 0.001 0.000 0.218 971 G HA3 -0.240 3.721 3.960 0.001 0.000 0.218 971 G C 1.514 176.445 174.900 0.052 0.000 1.154 971 G CA 0.604 45.770 45.100 0.111 0.000 0.767 971 G HN 0.370 nan 8.290 nan 0.000 0.552 972 L N -0.319 120.870 121.223 -0.057 0.000 2.131 972 L HA -0.047 4.294 4.340 0.001 0.000 0.210 972 L C 2.696 179.363 176.870 -0.337 0.000 1.092 972 L CA 0.503 55.191 54.840 -0.253 0.000 0.759 972 L CB -0.406 41.527 42.059 -0.210 0.000 0.903 972 L HN 0.255 nan 8.230 nan 0.000 0.435 973 L N -0.548 120.603 121.223 -0.120 0.000 2.017 973 L HA -0.177 4.164 4.340 0.001 0.000 0.208 973 L C 2.312 179.062 176.870 -0.200 0.000 1.073 973 L CA 1.804 56.546 54.840 -0.163 0.000 0.745 973 L CB -0.530 41.408 42.059 -0.202 0.000 0.894 973 L HN -0.020 nan 8.230 nan 0.000 0.432 974 F N -0.503 119.428 119.950 -0.032 0.000 2.102 974 F HA -0.219 4.309 4.527 0.001 0.000 0.298 974 F C 2.296 178.152 175.800 0.093 0.000 1.105 974 F CA 1.627 59.661 58.000 0.058 0.000 1.239 974 F CB -0.796 38.205 39.000 0.002 0.000 0.991 974 F HN 0.008 nan 8.300 nan 0.000 0.474 975 L N -0.863 120.423 121.223 0.105 0.000 2.012 975 L HA -0.278 4.062 4.340 0.001 0.000 0.210 975 L C 2.423 179.335 176.870 0.069 0.000 1.073 975 L CA 1.810 56.659 54.840 0.015 0.000 0.748 975 L CB -1.017 40.969 42.059 -0.121 0.000 0.891 975 L HN 0.272 nan 8.230 nan 0.000 0.431 976 H N -0.555 118.548 119.070 0.054 0.000 2.353 976 H HA -0.134 4.423 4.556 0.001 0.000 0.300 976 H C 2.397 177.724 175.328 -0.002 0.000 1.090 976 H CA 0.985 57.039 56.048 0.011 0.000 1.327 976 H CB 0.047 29.775 29.762 -0.056 0.000 1.383 976 H HN 0.216 nan 8.280 nan 0.000 0.508 977 L N -0.378 120.895 121.223 0.083 0.000 2.046 977 L HA -0.184 4.157 4.340 0.001 0.000 0.208 977 L C 1.932 178.801 176.870 -0.002 0.000 1.077 977 L CA 1.070 55.896 54.840 -0.023 0.000 0.747 977 L CB -0.375 41.615 42.059 -0.115 0.000 0.896 977 L HN 0.244 nan 8.230 nan 0.000 0.432 978 F N 0.085 120.037 119.950 0.003 0.000 2.234 978 F HA -0.144 4.384 4.527 0.002 0.000 0.299 978 F C 2.570 178.383 175.800 0.022 0.000 1.087 978 F CA 1.083 59.083 58.000 -0.001 0.000 1.340 978 F CB -0.604 38.378 39.000 -0.030 0.000 1.031 978 F HN 0.002 nan 8.300 nan 0.000 0.500 979 A N 0.191 123.135 122.820 0.207 0.000 1.902 979 A HA -0.143 4.178 4.320 0.001 0.000 0.217 979 A C 2.221 179.898 177.584 0.155 0.000 1.181 979 A CA 1.468 53.605 52.037 0.168 0.000 0.623 979 A CB -1.049 18.057 19.000 0.177 0.000 0.818 979 A HN 0.381 nan 8.150 nan 0.000 0.443 980 L N -1.329 119.967 121.223 0.122 0.000 2.093 980 L HA -0.167 4.173 4.340 0.001 0.000 0.208 980 L C 2.651 179.533 176.870 0.019 0.000 1.085 980 L CA 0.853 55.757 54.840 0.107 0.000 0.755 980 L CB -0.505 41.582 42.059 0.046 0.000 0.904 980 L HN 0.284 nan 8.230 nan 0.000 0.435 981 M N -0.245 119.334 119.600 -0.035 0.000 2.279 981 M HA -0.150 4.330 4.480 0.001 0.000 0.264 981 M C 2.258 178.537 176.300 -0.036 0.000 1.062 981 M CA 1.449 56.694 55.300 -0.092 0.000 1.099 981 M CB -1.041 31.443 32.600 -0.192 0.000 1.394 981 M HN 0.184 nan 8.290 nan 0.000 0.426 982 R N -0.236 120.288 120.500 0.040 0.000 2.174 982 R HA -0.183 4.158 4.340 0.001 0.000 0.253 982 R C 1.989 178.290 176.300 0.001 0.000 1.165 982 R CA 1.541 57.676 56.100 0.059 0.000 0.984 982 R CB -0.769 29.598 30.300 0.112 0.000 0.873 982 R HN 0.417 nan 8.270 nan 0.000 0.456 983 A N 0.932 123.699 122.820 -0.089 0.000 2.125 983 A HA -0.037 4.284 4.320 0.001 0.000 0.219 983 A C 2.215 179.637 177.584 -0.270 0.000 1.156 983 A CA 1.418 53.227 52.037 -0.379 0.000 0.671 983 A CB -0.346 18.098 19.000 -0.926 0.000 0.794 983 A HN 0.405 nan 8.150 nan 0.000 0.459 984 A N -1.553 121.170 122.820 -0.161 0.000 2.119 984 A HA 0.364 4.685 4.320 0.001 0.000 0.216 984 A C 1.987 179.511 177.584 -0.100 0.000 1.152 984 A CA 1.295 53.258 52.037 -0.123 0.000 0.708 984 A CB -0.904 18.043 19.000 -0.089 0.000 0.805 984 A HN 1.826 nan 8.150 nan 0.000 0.460 985 G N -1.635 107.110 108.800 -0.091 0.000 2.155 985 G HA2 -0.201 3.759 3.960 0.001 0.000 0.257 985 G HA3 -0.201 3.759 3.960 0.001 0.000 0.257 985 G C -0.059 174.819 174.900 -0.036 0.000 0.983 985 G CA 0.243 45.299 45.100 -0.073 0.000 0.676 985 G HN 0.378 nan 8.290 nan 0.000 0.528 986 L N 0.673 121.886 121.223 -0.016 0.000 2.584 986 L HA 0.244 4.585 4.340 0.001 0.000 0.272 986 L C -0.158 176.730 176.870 0.030 0.000 1.195 986 L CA -0.973 53.872 54.840 0.008 0.000 0.920 986 L CB 0.734 42.816 42.059 0.038 0.000 1.173 986 L HN -0.061 nan 8.230 nan 0.000 0.489 987 P HA -0.159 nan 4.420 nan 0.000 0.218 987 P C 0.724 178.063 177.300 0.064 0.000 1.148 987 P CA 1.174 64.291 63.100 0.028 0.000 0.822 987 P CB 0.279 31.990 31.700 0.018 0.000 0.784 988 E N -1.449 118.814 120.200 0.104 0.000 2.476 988 E HA 0.090 4.440 4.350 0.001 0.000 0.191 988 E C 0.012 176.788 176.600 0.292 0.000 1.064 988 E CA -0.008 56.512 56.400 0.199 0.000 0.866 988 E CB -0.035 29.808 29.700 0.238 0.000 0.952 988 E HN 0.072 nan 8.360 nan 0.000 0.492 989 L N -0.033 121.318 121.223 0.213 0.000 2.457 989 L HA 0.144 4.485 4.340 0.001 0.000 0.259 989 L C 0.066 177.000 176.870 0.108 0.000 1.377 989 L CA 0.068 55.029 54.840 0.201 0.000 0.887 989 L CB 0.842 43.084 42.059 0.304 0.000 1.085 989 L HN -0.078 nan 8.230 nan 0.000 0.509 990 S N -0.304 115.439 115.700 0.073 0.000 2.918 990 S HA 0.227 4.697 4.470 0.001 0.000 0.264 990 S C 0.758 175.369 174.600 0.019 0.000 1.078 990 S CA 0.353 58.572 58.200 0.031 0.000 0.918 990 S CB -0.109 63.098 63.200 0.011 0.000 0.882 990 S HN 0.641 nan 8.310 nan 0.000 0.466 991 C N 0.896 120.212 119.300 0.027 0.000 2.768 991 C HA 0.875 5.336 4.460 0.001 0.000 0.411 991 C C 1.783 176.789 174.990 0.026 0.000 1.793 991 C CA 0.144 59.171 59.018 0.016 0.000 1.747 991 C CB 0.834 28.579 27.740 0.010 0.000 2.128 991 C HN 0.295 nan 8.230 nan 0.000 0.472 992 S N -0.267 115.444 115.700 0.017 0.000 2.458 992 S HA 0.021 4.492 4.470 0.001 0.000 0.223 992 S C 1.698 176.310 174.600 0.019 0.000 1.019 992 S CA 0.535 58.745 58.200 0.016 0.000 0.937 992 S CB -0.328 62.876 63.200 0.006 0.000 0.788 992 S HN 0.710 nan 8.310 nan 0.000 0.511 993 K N 1.308 121.724 120.400 0.026 0.000 2.360 993 K HA -0.088 4.232 4.320 0.001 0.000 0.201 993 K C 0.933 177.569 176.600 0.061 0.000 1.046 993 K CA 1.016 57.328 56.287 0.041 0.000 0.945 993 K CB -0.091 32.436 32.500 0.046 0.000 0.750 993 K HN 0.325 nan 8.250 nan 0.000 0.464 994 D N 0.815 121.242 120.400 0.044 0.000 2.137 994 D HA -0.074 4.566 4.640 0.001 0.000 0.202 994 D C 1.908 178.198 176.300 -0.017 0.000 0.970 994 D CA 0.747 54.761 54.000 0.023 0.000 0.837 994 D CB 0.068 40.887 40.800 0.033 0.000 0.981 994 D HN 0.058 nan 8.370 nan 0.000 0.475 995 I N 1.096 121.661 120.570 -0.009 0.000 2.226 995 I HA -0.221 3.949 4.170 0.001 0.000 0.245 995 I C 2.433 178.519 176.117 -0.050 0.000 1.100 995 I CA 0.966 62.242 61.300 -0.040 0.000 1.374 995 I CB -0.881 37.122 38.000 0.004 0.000 1.057 995 I HN 0.002 nan 8.210 nan 0.000 0.413 996 Q N 0.491 120.281 119.800 -0.016 0.000 2.181 996 Q HA -0.259 4.081 4.340 0.001 0.000 0.205 996 Q C 2.199 178.172 176.000 -0.045 0.000 0.980 996 Q CA 1.685 57.471 55.803 -0.029 0.000 0.862 996 Q CB -0.691 28.041 28.738 -0.010 0.000 0.905 996 Q HN 0.538 nan 8.270 nan 0.000 0.429 997 Y N -0.250 119.979 120.300 -0.118 0.000 2.128 997 Y HA -0.238 4.312 4.550 0.001 0.000 0.284 997 Y C 1.723 177.508 175.900 -0.192 0.000 1.154 997 Y CA 1.797 59.815 58.100 -0.137 0.000 1.149 997 Y CB -0.053 38.321 38.460 -0.143 0.000 0.976 997 Y HN 0.142 nan 8.280 nan 0.000 0.505 998 L N -0.082 121.098 121.223 -0.071 0.000 2.093 998 L HA -0.241 4.099 4.340 0.001 0.000 0.208 998 L C 2.404 179.174 176.870 -0.167 0.000 1.085 998 L CA 1.387 56.111 54.840 -0.194 0.000 0.755 998 L CB -0.468 41.384 42.059 -0.345 0.000 0.904 998 L HN 0.229 nan 8.230 nan 0.000 0.435 999 K N -0.034 120.284 120.400 -0.135 0.000 2.032 999 K HA -0.203 4.118 4.320 0.001 0.000 0.209 999 K C 1.614 178.142 176.600 -0.120 0.000 1.048 999 K CA 1.684 57.905 56.287 -0.110 0.000 0.927 999 K CB -0.231 32.216 32.500 -0.087 0.000 0.712 999 K HN 0.379 nan 8.250 nan 0.000 0.441 1000 D N 0.250 120.551 120.400 -0.166 0.000 2.149 1000 D HA -0.106 4.534 4.640 0.001 0.000 0.201 1000 D C 2.091 178.306 176.300 -0.141 0.000 0.972 1000 D CA 1.466 55.359 54.000 -0.177 0.000 0.835 1000 D CB -0.223 40.426 40.800 -0.250 0.000 0.966 1000 D HN 0.205 nan 8.370 nan 0.000 0.476 1001 S N 0.421 115.993 115.700 -0.213 0.000 2.406 1001 S HA -0.051 4.420 4.470 0.001 0.000 0.228 1001 S C 1.976 176.641 174.600 0.108 0.000 1.020 1001 S CA 0.458 58.563 58.200 -0.158 0.000 0.965 1001 S CB -0.500 62.515 63.200 -0.309 0.000 0.798 1001 S HN 0.204 nan 8.310 nan 0.000 0.488 1002 L N 1.319 122.553 121.223 0.018 0.000 2.592 1002 L HA 0.411 4.751 4.340 0.001 0.000 0.227 1002 L C 1.438 178.327 176.870 0.032 0.000 1.127 1002 L CA 0.175 55.026 54.840 0.019 0.000 0.884 1002 L CB -0.634 41.363 42.059 -0.103 0.000 1.065 1002 L HN 0.435 nan 8.230 nan 0.000 0.457 1003 A N 0.514 123.361 122.820 0.046 0.000 2.550 1003 A HA -0.235 4.085 4.320 0.001 0.000 0.298 1003 A C 1.590 179.155 177.584 -0.031 0.000 1.485 1003 A CA 0.550 52.583 52.037 -0.006 0.000 0.780 1003 A CB -1.520 17.503 19.000 0.038 0.000 1.045 1003 A HN 0.388 nan 8.150 nan 0.000 0.423 1004 L N -0.855 120.337 121.223 -0.050 0.000 2.191 1004 L HA -0.139 4.201 4.340 0.001 0.000 0.212 1004 L C 2.349 179.191 176.870 -0.047 0.000 1.103 1004 L CA 2.297 57.104 54.840 -0.054 0.000 0.769 1004 L CB -0.954 41.069 42.059 -0.061 0.000 0.908 1004 L HN 0.765 nan 8.230 nan 0.000 0.438 1005 G N -0.477 108.294 108.800 -0.049 0.000 2.956 1005 G HA2 -0.058 3.903 3.960 0.001 0.000 0.207 1005 G HA3 -0.058 3.903 3.960 0.001 0.000 0.207 1005 G C 0.748 175.626 174.900 -0.037 0.000 1.162 1005 G CA -0.086 44.989 45.100 -0.043 0.000 0.796 1005 G HN 0.267 nan 8.290 nan 0.000 0.527 1006 K N 0.243 120.623 120.400 -0.035 0.000 2.238 1006 K HA 0.445 4.765 4.320 0.001 0.000 0.239 1006 K C 0.371 176.964 176.600 -0.012 0.000 0.987 1006 K CA -0.578 55.695 56.287 -0.023 0.000 0.857 1006 K CB 1.272 33.758 32.500 -0.023 0.000 1.154 1006 K HN 0.118 nan 8.250 nan 0.000 0.439 1007 T N -2.311 112.242 114.554 -0.002 0.000 2.813 1007 T HA 0.025 4.376 4.350 0.001 0.000 0.297 1007 T C 1.136 175.842 174.700 0.010 0.000 1.036 1007 T CA -0.387 61.714 62.100 0.002 0.000 1.044 1007 T CB 1.133 70.005 68.868 0.006 0.000 0.993 1007 T HN 0.693 nan 8.240 nan 0.000 0.535 1008 E N -0.048 120.154 120.200 0.004 0.000 2.150 1008 E HA -0.180 4.171 4.350 0.001 0.000 0.193 1008 E C 1.805 178.426 176.600 0.034 0.000 0.985 1008 E CA 0.995 57.401 56.400 0.010 0.000 0.814 1008 E CB 0.014 29.709 29.700 -0.009 0.000 0.752 1008 E HN 0.775 nan 8.360 nan 0.000 0.466 1009 E N 0.956 121.173 120.200 0.028 0.000 2.072 1009 E HA -0.170 4.180 4.350 0.001 0.000 0.191 1009 E C 1.755 178.389 176.600 0.056 0.000 0.985 1009 E CA 1.136 57.558 56.400 0.036 0.000 0.801 1009 E CB -0.014 29.700 29.700 0.024 0.000 0.750 1009 E HN 0.275 nan 8.360 nan 0.000 0.452 1010 E N -0.564 119.667 120.200 0.052 0.000 2.007 1010 E HA -0.219 4.132 4.350 0.001 0.000 0.194 1010 E C 1.972 178.640 176.600 0.113 0.000 0.999 1010 E CA 1.110 57.548 56.400 0.063 0.000 0.811 1010 E CB -0.217 29.503 29.700 0.034 0.000 0.762 1010 E HN 0.294 nan 8.360 nan 0.000 0.450 1011 A N 0.900 123.792 122.820 0.121 0.000 1.908 1011 A HA -0.200 4.121 4.320 0.001 0.000 0.218 1011 A C 2.124 179.905 177.584 0.328 0.000 1.181 1011 A CA 1.285 53.456 52.037 0.223 0.000 0.627 1011 A CB -0.685 18.436 19.000 0.202 0.000 0.818 1011 A HN 0.337 nan 8.150 nan 0.000 0.445 1012 L N 0.453 121.818 121.223 0.236 0.000 2.131 1012 L HA -0.184 4.157 4.340 0.001 0.000 0.210 1012 L C 2.438 179.414 176.870 0.178 0.000 1.092 1012 L CA 2.704 57.672 54.840 0.213 0.000 0.759 1012 L CB -0.586 41.542 42.059 0.115 0.000 0.903 1012 L HN 0.640 nan 8.230 nan 0.000 0.435 1013 K N -1.913 118.571 120.400 0.141 0.000 2.025 1013 K HA -0.265 4.056 4.320 0.001 0.000 0.207 1013 K C 2.221 178.886 176.600 0.108 0.000 1.049 1013 K CA 1.741 58.086 56.287 0.097 0.000 0.933 1013 K CB -0.711 31.836 32.500 0.077 0.000 0.714 1013 K HN 0.417 nan 8.250 nan 0.000 0.438 1014 H N -0.092 119.020 119.070 0.071 0.000 2.289 1014 H HA -0.199 4.357 4.556 0.001 0.000 0.296 1014 H C 1.758 177.104 175.328 0.031 0.000 1.091 1014 H CA 2.452 58.536 56.048 0.061 0.000 1.274 1014 H CB -0.435 29.386 29.762 0.098 0.000 1.364 1014 H HN 0.357 nan 8.280 nan 0.000 0.490 1015 F N 1.097 120.987 119.950 -0.100 0.000 2.171 1015 F HA -0.121 4.407 4.527 0.001 0.000 0.300 1015 F C 2.381 177.971 175.800 -0.351 0.000 1.090 1015 F CA 1.436 59.230 58.000 -0.344 0.000 1.293 1015 F CB -0.194 38.504 39.000 -0.502 0.000 1.013 1015 F HN 0.054 nan 8.300 nan 0.000 0.486 1016 R N -0.256 120.148 120.500 -0.160 0.000 2.120 1016 R HA -0.109 4.232 4.340 0.001 0.000 0.234 1016 R C 2.131 178.304 176.300 -0.211 0.000 1.123 1016 R CA 1.430 57.407 56.100 -0.206 0.000 0.975 1016 R CB -0.627 29.628 30.300 -0.075 0.000 0.866 1016 R HN 0.276 nan 8.270 nan 0.000 0.446 1017 V N 1.429 121.220 119.914 -0.206 0.000 2.307 1017 V HA -0.225 3.896 4.120 0.001 0.000 0.245 1017 V C 2.237 178.177 176.094 -0.258 0.000 1.045 1017 V CA 1.544 63.735 62.300 -0.181 0.000 1.024 1017 V CB -0.344 31.389 31.823 -0.150 0.000 0.651 1017 V HN 0.186 nan 8.190 nan 0.000 0.449 1018 K N -0.364 119.785 120.400 -0.418 0.000 2.063 1018 K HA -0.194 4.126 4.320 0.001 0.000 0.208 1018 K C 2.064 178.357 176.600 -0.511 0.000 1.048 1018 K CA 1.835 57.840 56.287 -0.469 0.000 0.928 1018 K CB -0.753 31.363 32.500 -0.640 0.000 0.713 1018 K HN 0.522 nan 8.250 nan 0.000 0.442 1019 F N 2.606 122.014 119.950 -0.903 0.000 2.113 1019 F HA -0.172 4.356 4.527 0.001 0.000 0.297 1019 F C 1.863 177.471 175.800 -0.319 0.000 1.103 1019 F CA 1.279 58.766 58.000 -0.854 0.000 1.248 1019 F CB -0.101 38.265 39.000 -1.056 0.000 0.999 1019 F HN 0.056 nan 8.300 nan 0.000 0.475 1020 N N 0.758 119.474 118.700 0.028 0.000 2.166 1020 N HA -0.183 4.558 4.740 0.001 0.000 0.186 1020 N C 1.712 177.202 175.510 -0.034 0.000 1.019 1020 N CA 1.602 54.686 53.050 0.058 0.000 0.856 1020 N CB -0.537 37.976 38.487 0.043 0.000 0.993 1020 N HN 0.483 nan 8.380 nan 0.000 0.426 1021 E N 0.604 120.753 120.200 -0.085 0.000 2.085 1021 E HA -0.114 4.237 4.350 0.001 0.000 0.194 1021 E C 1.870 178.428 176.600 -0.070 0.000 0.994 1021 E CA 1.147 57.502 56.400 -0.075 0.000 0.801 1021 E CB -0.076 29.572 29.700 -0.087 0.000 0.743 1021 E HN 0.373 nan 8.360 nan 0.000 0.453 1022 A N 0.859 123.617 122.820 -0.104 0.000 1.933 1022 A HA -0.158 4.162 4.320 0.001 0.000 0.218 1022 A C 2.095 179.646 177.584 -0.056 0.000 1.175 1022 A CA 0.893 52.892 52.037 -0.063 0.000 0.628 1022 A CB -0.398 18.603 19.000 0.001 0.000 0.814 1022 A HN 0.211 nan 8.150 nan 0.000 0.444 1023 L N -0.039 121.137 121.223 -0.079 0.000 2.056 1023 L HA -0.092 4.248 4.340 0.001 0.000 0.207 1023 L C 2.432 179.301 176.870 -0.003 0.000 1.078 1023 L CA 1.804 56.639 54.840 -0.009 0.000 0.749 1023 L CB -0.643 41.447 42.059 0.052 0.000 0.901 1023 L HN 0.359 nan 8.230 nan 0.000 0.433 1024 R N -0.690 119.801 120.500 -0.015 0.000 2.081 1024 R HA -0.191 4.149 4.340 0.001 0.000 0.235 1024 R C 2.153 178.438 176.300 -0.024 0.000 1.131 1024 R CA 1.405 57.494 56.100 -0.019 0.000 0.960 1024 R CB -0.362 29.923 30.300 -0.025 0.000 0.856 1024 R HN 0.272 nan 8.270 nan 0.000 0.436 1025 E N 1.002 121.184 120.200 -0.030 0.000 2.204 1025 E HA -0.074 4.277 4.350 0.001 0.000 0.195 1025 E C 0.165 176.748 176.600 -0.029 0.000 0.990 1025 E CA 0.605 56.979 56.400 -0.044 0.000 0.821 1025 E CB 0.036 29.712 29.700 -0.040 0.000 0.750 1025 E HN 0.046 nan 8.360 nan 0.000 0.477 1026 S N 0.483 116.198 115.700 0.025 0.000 2.437 1026 S HA 0.112 4.582 4.470 0.001 0.000 0.304 1026 S C -0.715 173.971 174.600 0.143 0.000 1.167 1026 S CA -0.414 57.852 58.200 0.110 0.000 1.106 1026 S CB -0.682 62.608 63.200 0.151 0.000 1.099 1026 S HN 0.285 nan 8.310 nan 0.000 0.524 1027 W N 0.000 121.223 121.300 -0.129 0.000 2.388 1027 W HA 0.000 4.660 4.660 0.001 0.000 0.303 1027 W CA 0.000 57.218 57.345 -0.212 0.000 1.226 1027 W CB 0.000 29.200 29.460 -0.434 0.000 1.126 1027 W HN 0.000 nan 8.180 nan 0.000 0.535