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 2wxl_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 XQLREILERX 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 0.000 176.102 176.094 0.014 0.000 1.182 109 V CA 0.000 62.306 62.300 0.011 0.000 1.235 109 V CB 0.000 31.828 31.823 0.009 0.000 1.184 110 K N 2.506 122.915 120.400 0.015 0.000 2.103 110 K HA -0.227 4.097 4.320 0.006 0.000 0.207 110 K C 1.783 178.398 176.600 0.025 0.000 1.048 110 K CA 2.738 59.037 56.287 0.020 0.000 0.930 110 K CB -0.314 32.198 32.500 0.020 0.000 0.716 110 K HN 0.474 nan 8.250 nan 0.000 0.444 111 K N 0.246 120.659 120.400 0.022 0.000 2.057 111 K HA -0.130 4.193 4.320 0.006 0.000 0.207 111 K C 1.971 178.585 176.600 0.023 0.000 1.049 111 K CA 1.533 57.834 56.287 0.024 0.000 0.931 111 K CB -0.535 31.977 32.500 0.019 0.000 0.714 111 K HN 0.235 nan 8.250 nan 0.000 0.440 112 L N 0.943 122.177 121.223 0.018 0.000 2.056 112 L HA 0.010 4.353 4.340 0.006 0.000 0.207 112 L C 1.998 178.879 176.870 0.019 0.000 1.078 112 L CA 1.554 56.404 54.840 0.016 0.000 0.749 112 L CB -0.368 41.698 42.059 0.012 0.000 0.901 112 L HN 0.325 nan 8.230 nan 0.000 0.433 113 I N -0.003 120.579 120.570 0.020 0.000 2.163 113 I HA -0.329 3.844 4.170 0.006 0.000 0.243 113 I C 2.113 178.250 176.117 0.032 0.000 1.085 113 I CA 1.455 62.768 61.300 0.021 0.000 1.347 113 I CB -0.728 37.285 38.000 0.022 0.000 1.044 113 I HN 0.412 nan 8.210 nan 0.000 0.408 114 N N 0.814 119.538 118.700 0.039 0.000 2.120 114 N HA -0.149 4.594 4.740 0.006 0.000 0.188 114 N C 2.085 177.624 175.510 0.049 0.000 1.024 114 N CA 1.879 54.960 53.050 0.053 0.000 0.852 114 N CB -0.311 38.211 38.487 0.057 0.000 1.003 114 N HN 0.426 nan 8.380 nan 0.000 0.424 115 S N 0.632 116.355 115.700 0.039 0.000 2.383 115 S HA -0.106 4.367 4.470 0.006 0.000 0.227 115 S C 1.862 176.481 174.600 0.031 0.000 1.026 115 S CA 0.784 59.005 58.200 0.035 0.000 0.981 115 S CB -0.308 62.908 63.200 0.027 0.000 0.818 115 S HN 0.293 nan 8.310 nan 0.000 0.472 116 Q N 0.758 120.573 119.800 0.025 0.000 2.084 116 Q HA 0.051 4.394 4.340 0.006 0.000 0.202 116 Q C 2.267 178.283 176.000 0.027 0.000 0.978 116 Q CA 1.748 57.562 55.803 0.018 0.000 0.844 116 Q CB -0.454 28.287 28.738 0.005 0.000 0.898 116 Q HN 0.614 nan 8.270 nan 0.000 0.426 117 I N 0.290 120.884 120.570 0.041 0.000 2.163 117 I HA -0.304 3.869 4.170 0.006 0.000 0.243 117 I C 2.282 178.441 176.117 0.071 0.000 1.085 117 I CA 0.988 62.328 61.300 0.066 0.000 1.347 117 I CB -0.266 37.788 38.000 0.090 0.000 1.044 117 I HN 0.110 nan 8.210 nan 0.000 0.408 118 S N 0.823 116.553 115.700 0.050 0.000 2.359 118 S HA -0.207 4.266 4.470 0.006 0.000 0.224 118 S C 1.922 176.540 174.600 0.029 0.000 1.035 118 S CA 1.466 59.678 58.200 0.021 0.000 1.018 118 S CB -0.467 62.742 63.200 0.015 0.000 0.876 118 S HN 0.304 nan 8.310 nan 0.000 0.448 119 L N 1.370 122.615 121.223 0.037 0.000 1.994 119 L HA -0.038 4.305 4.340 0.006 0.000 0.208 119 L C 2.161 179.066 176.870 0.059 0.000 1.071 119 L CA 1.436 56.300 54.840 0.041 0.000 0.745 119 L CB -0.646 41.433 42.059 0.032 0.000 0.892 119 L HN 0.267 nan 8.230 nan 0.000 0.431 120 L N 0.104 121.363 121.223 0.061 0.000 2.012 120 L HA -0.204 4.140 4.340 0.006 0.000 0.210 120 L C 2.258 179.227 176.870 0.165 0.000 1.073 120 L CA 2.409 57.303 54.840 0.091 0.000 0.748 120 L CB -0.667 41.413 42.059 0.036 0.000 0.891 120 L HN 0.514 nan 8.230 nan 0.000 0.431 121 I N -3.868 116.785 120.570 0.138 0.000 3.578 121 I HA 0.309 4.482 4.170 0.006 0.000 0.295 121 I C 1.401 177.554 176.117 0.059 0.000 1.280 121 I CA 0.603 61.968 61.300 0.108 0.000 1.347 121 I CB -0.757 37.324 38.000 0.136 0.000 1.051 121 I HN 0.378 nan 8.210 nan 0.000 0.460 122 G N 2.002 110.838 108.800 0.060 0.000 2.182 122 G HA2 -0.300 3.663 3.960 0.006 0.000 0.248 122 G HA3 -0.300 3.663 3.960 0.006 0.000 0.248 122 G C -0.015 174.889 174.900 0.007 0.000 1.042 122 G CA 0.458 45.585 45.100 0.045 0.000 0.775 122 G HN 0.649 nan 8.290 nan 0.000 0.501 123 K N -0.481 119.898 120.400 -0.035 0.000 2.575 123 K HA 0.508 4.831 4.320 0.006 0.000 0.255 123 K C 0.407 176.856 176.600 -0.252 0.000 0.953 123 K CA -0.255 55.946 56.287 -0.144 0.000 0.840 123 K CB 0.972 33.381 32.500 -0.152 0.000 1.303 123 K HN 0.648 nan 8.250 nan 0.000 0.438 124 G N 3.929 112.532 108.800 -0.328 0.000 2.361 124 G HA2 0.151 4.114 3.960 0.006 0.000 0.260 124 G HA3 0.151 4.114 3.960 0.006 0.000 0.260 124 G C 1.045 175.558 174.900 -0.645 0.000 1.261 124 G CA -0.405 44.471 45.100 -0.373 0.000 0.897 124 G HN 0.654 nan 8.290 nan 0.000 0.499 125 L N 1.805 122.815 121.223 -0.355 0.000 2.079 125 L HA -0.201 4.142 4.340 0.006 0.000 0.210 125 L C 2.750 179.476 176.870 -0.239 0.000 1.081 125 L CA 1.917 56.585 54.840 -0.287 0.000 0.752 125 L CB -0.659 41.424 42.059 0.040 0.000 0.896 125 L HN 0.938 nan 8.230 nan 0.000 0.433 126 H N -0.678 118.326 119.070 -0.109 0.000 2.460 126 H HA -0.177 4.381 4.556 0.004 0.000 0.297 126 H C 1.807 177.085 175.328 -0.083 0.000 1.103 126 H CA 1.451 57.464 56.048 -0.058 0.000 1.292 126 H CB -0.499 29.236 29.762 -0.046 0.000 1.376 126 H HN 0.402 nan 8.280 nan 0.000 0.531 127 E N 0.069 119.831 120.200 -0.730 0.000 2.110 127 E HA -0.117 4.237 4.350 0.006 0.000 0.193 127 E C 1.420 177.906 176.600 -0.190 0.000 0.988 127 E CA 1.010 57.124 56.400 -0.476 0.000 0.804 127 E CB -0.142 29.182 29.700 -0.626 0.000 0.745 127 E HN 0.475 nan 8.360 nan 0.000 0.458 128 F N 1.863 121.762 119.950 -0.086 0.000 2.134 128 F HA -0.155 4.375 4.527 0.006 0.000 0.299 128 F C 2.076 177.876 175.800 0.000 0.000 1.097 128 F CA 0.811 58.794 58.000 -0.030 0.000 1.264 128 F CB -0.787 38.211 39.000 -0.003 0.000 1.001 128 F HN -0.055 nan 8.300 nan 0.000 0.479 129 D N -0.197 120.317 120.400 0.189 0.000 2.123 129 D HA -0.146 4.497 4.640 0.006 0.000 0.196 129 D C 2.247 178.606 176.300 0.098 0.000 0.992 129 D CA 1.629 55.709 54.000 0.133 0.000 0.833 129 D CB -0.396 40.476 40.800 0.119 0.000 0.954 129 D HN 0.178 nan 8.370 nan 0.000 0.455 130 S N 0.273 116.022 115.700 0.081 0.000 2.507 130 S HA -0.012 4.461 4.470 0.006 0.000 0.235 130 S C 2.036 176.664 174.600 0.048 0.000 0.988 130 S CA 0.136 58.373 58.200 0.062 0.000 0.944 130 S CB -0.018 63.217 63.200 0.058 0.000 0.762 130 S HN 0.276 nan 8.310 nan 0.000 0.526 131 L N 0.823 122.082 121.223 0.060 0.000 2.395 131 L HA 0.099 4.442 4.340 0.006 0.000 0.218 131 L C 0.520 177.418 176.870 0.046 0.000 1.130 131 L CA 0.139 55.007 54.840 0.047 0.000 0.826 131 L CB -0.329 41.767 42.059 0.061 0.000 0.941 131 L HN 0.156 nan 8.230 nan 0.000 0.451 132 R N 0.860 121.394 120.500 0.057 0.000 3.301 132 R HA -0.209 4.135 4.340 0.006 0.000 0.249 132 R C -0.345 175.988 176.300 0.055 0.000 0.964 132 R CA 0.567 56.700 56.100 0.057 0.000 0.653 132 R CB -2.497 27.833 30.300 0.050 0.000 1.043 132 R HN 0.328 nan 8.270 nan 0.000 0.454 133 D N -0.112 120.318 120.400 0.051 0.000 2.414 133 D HA 0.321 4.964 4.640 0.006 0.000 0.232 133 D C -1.477 174.841 176.300 0.031 0.000 1.070 133 D CA -2.611 51.410 54.000 0.036 0.000 0.839 133 D CB 1.469 42.276 40.800 0.011 0.000 1.079 133 D HN -0.119 nan 8.370 nan 0.000 0.521 134 P HA -0.159 nan 4.420 nan 0.000 0.216 134 P C 1.099 178.402 177.300 0.006 0.000 1.150 134 P CA 0.960 64.124 63.100 0.107 0.000 0.843 134 P CB 0.397 32.231 31.700 0.224 0.000 0.787 135 E N -0.357 119.676 120.200 -0.279 0.000 2.072 135 E HA -0.128 4.225 4.350 0.006 0.000 0.191 135 E C 1.832 178.274 176.600 -0.264 0.000 0.985 135 E CA 1.072 57.016 56.400 -0.760 0.000 0.801 135 E CB -0.284 28.797 29.700 -1.030 0.000 0.750 135 E HN -0.054 nan 8.360 nan 0.000 0.452 136 V N 2.057 121.883 119.914 -0.146 0.000 2.295 136 V HA -0.278 3.845 4.120 0.006 0.000 0.246 136 V C 2.045 178.154 176.094 0.025 0.000 1.049 136 V CA 1.993 64.251 62.300 -0.070 0.000 1.024 136 V CB -0.702 31.081 31.823 -0.067 0.000 0.648 136 V HN 0.306 nan 8.190 nan 0.000 0.447 137 N N 0.328 119.050 118.700 0.037 0.000 2.120 137 N HA -0.156 4.587 4.740 0.006 0.000 0.188 137 N C 1.533 177.095 175.510 0.086 0.000 1.024 137 N CA 1.630 54.723 53.050 0.072 0.000 0.852 137 N CB -0.507 38.026 38.487 0.077 0.000 1.003 137 N HN 0.491 nan 8.380 nan 0.000 0.424 138 D N 0.178 120.637 120.400 0.099 0.000 2.084 138 D HA -0.115 4.528 4.640 0.006 0.000 0.196 138 D C 1.754 178.118 176.300 0.106 0.000 0.985 138 D CA 0.487 54.562 54.000 0.126 0.000 0.826 138 D CB -0.634 40.304 40.800 0.231 0.000 0.978 138 D HN 0.186 nan 8.370 nan 0.000 0.456 139 F N 1.968 121.903 119.950 -0.025 0.000 2.087 139 F HA -0.256 4.273 4.527 0.004 0.000 0.299 139 F C 2.357 178.140 175.800 -0.028 0.000 1.100 139 F CA 1.747 59.726 58.000 -0.036 0.000 1.226 139 F CB 0.056 39.006 39.000 -0.083 0.000 0.983 139 F HN -0.171 nan 8.300 nan 0.000 0.479 140 R N -0.537 120.049 120.500 0.144 0.000 2.075 140 R HA -0.117 4.227 4.340 0.006 0.000 0.232 140 R C 2.350 178.637 176.300 -0.022 0.000 1.126 140 R CA 1.946 58.088 56.100 0.070 0.000 0.963 140 R CB -0.909 29.450 30.300 0.098 0.000 0.858 140 R HN 0.506 nan 8.270 nan 0.000 0.435 141 T N -0.770 113.783 114.554 -0.001 0.000 2.770 141 T HA -0.104 4.249 4.350 0.006 0.000 0.263 141 T C 1.925 176.606 174.700 -0.031 0.000 1.039 141 T CA 1.039 63.139 62.100 -0.000 0.000 1.142 141 T CB -0.054 68.830 68.868 0.027 0.000 0.868 141 T HN 0.100 nan 8.240 nan 0.000 0.435 142 K N 0.200 120.563 120.400 -0.061 0.000 2.032 142 K HA -0.025 4.299 4.320 0.006 0.000 0.209 142 K C 2.447 178.984 176.600 -0.106 0.000 1.048 142 K CA 1.475 57.718 56.287 -0.074 0.000 0.927 142 K CB -0.237 32.207 32.500 -0.094 0.000 0.712 142 K HN 0.175 nan 8.250 nan 0.000 0.441 143 M N 0.405 119.841 119.600 -0.274 0.000 2.200 143 M HA -0.080 4.403 4.480 0.006 0.000 0.265 143 M C 2.207 178.476 176.300 -0.051 0.000 1.066 143 M CA 1.429 56.568 55.300 -0.268 0.000 1.127 143 M CB -0.846 31.319 32.600 -0.725 0.000 1.379 143 M HN 0.214 nan 8.290 nan 0.000 0.420 144 R N 0.218 120.681 120.500 -0.061 0.000 2.091 144 R HA -0.214 4.129 4.340 0.006 0.000 0.238 144 R C 2.167 178.474 176.300 0.012 0.000 1.136 144 R CA 1.909 58.007 56.100 -0.004 0.000 0.959 144 R CB -0.184 30.119 30.300 0.005 0.000 0.856 144 R HN 0.422 nan 8.270 nan 0.000 0.437 145 Q N -0.552 119.260 119.800 0.021 0.000 2.020 145 Q HA -0.201 4.142 4.340 0.006 0.000 0.202 145 Q C 1.850 177.879 176.000 0.048 0.000 0.982 145 Q CA 2.051 57.871 55.803 0.028 0.000 0.838 145 Q CB -0.277 28.482 28.738 0.034 0.000 0.899 145 Q HN 0.408 nan 8.270 nan 0.000 0.423 146 F N 0.244 120.156 119.950 -0.063 0.000 2.115 146 F HA -0.342 4.188 4.527 0.005 0.000 0.300 146 F C 2.024 177.795 175.800 -0.048 0.000 1.092 146 F CA 1.657 59.623 58.000 -0.056 0.000 1.245 146 F CB -0.500 38.459 39.000 -0.068 0.000 0.995 146 F HN 0.214 nan 8.300 nan 0.000 0.481 147 C N 0.172 119.448 119.300 -0.040 0.000 2.457 147 C HA -0.080 4.384 4.460 0.006 0.000 0.278 147 C C 2.605 177.499 174.990 -0.161 0.000 1.309 147 C CA 0.962 59.903 59.018 -0.129 0.000 1.735 147 C CB -1.108 26.633 27.740 0.002 0.000 1.992 147 C HN 0.521 nan 8.230 nan 0.000 0.493 148 E N 0.892 121.030 120.200 -0.102 0.000 2.110 148 E HA -0.198 4.156 4.350 0.006 0.000 0.193 148 E C 2.010 178.544 176.600 -0.110 0.000 0.988 148 E CA 1.098 57.444 56.400 -0.090 0.000 0.804 148 E CB -0.148 29.522 29.700 -0.050 0.000 0.745 148 E HN 0.666 nan 8.360 nan 0.000 0.458 149 E N 0.639 120.757 120.200 -0.136 0.000 2.085 149 E HA -0.222 4.131 4.350 0.006 0.000 0.194 149 E C 2.094 178.588 176.600 -0.177 0.000 0.994 149 E CA 1.031 57.342 56.400 -0.147 0.000 0.801 149 E CB -0.157 29.445 29.700 -0.163 0.000 0.743 149 E HN 0.237 nan 8.360 nan 0.000 0.453 150 A N 1.390 124.040 122.820 -0.283 0.000 1.940 150 A HA -0.149 4.175 4.320 0.006 0.000 0.219 150 A C 2.374 179.877 177.584 -0.136 0.000 1.176 150 A CA 1.771 53.666 52.037 -0.238 0.000 0.631 150 A CB -0.630 18.172 19.000 -0.331 0.000 0.814 150 A HN 0.305 nan 8.150 nan 0.000 0.446 151 A N -0.245 122.488 122.820 -0.145 0.000 1.898 151 A HA 0.228 4.552 4.320 0.006 0.000 0.216 151 A C 2.505 180.031 177.584 -0.096 0.000 1.181 151 A CA 1.874 53.834 52.037 -0.128 0.000 0.620 151 A CB -1.014 17.918 19.000 -0.113 0.000 0.819 151 A HN 1.035 nan 8.150 nan 0.000 0.442 152 A N -0.539 122.239 122.820 -0.070 0.000 1.873 152 A HA -0.264 4.059 4.320 0.006 0.000 0.218 152 A C 2.048 179.615 177.584 -0.029 0.000 1.193 152 A CA 2.343 54.351 52.037 -0.047 0.000 0.629 152 A CB -1.073 17.906 19.000 -0.034 0.000 0.826 152 A HN 0.739 nan 8.150 nan 0.000 0.447 153 H N -0.126 118.873 119.070 -0.118 0.000 2.353 153 H HA -0.171 4.389 4.556 0.005 0.000 0.298 153 H C 2.154 177.412 175.328 -0.117 0.000 1.103 153 H CA 2.254 58.235 56.048 -0.111 0.000 1.293 153 H CB -0.204 29.483 29.762 -0.125 0.000 1.372 153 H HN 0.507 nan 8.280 nan 0.000 0.501 154 R N -0.402 119.974 120.500 -0.208 0.000 2.115 154 R HA -0.101 4.243 4.340 0.006 0.000 0.230 154 R C 1.867 178.056 176.300 -0.185 0.000 1.111 154 R CA 1.288 57.212 56.100 -0.294 0.000 0.976 154 R CB 0.083 30.157 30.300 -0.377 0.000 0.870 154 R HN 0.286 nan 8.270 nan 0.000 0.445 155 Q N 0.510 120.219 119.800 -0.151 0.000 2.369 155 Q HA -0.135 4.209 4.340 0.006 0.000 0.206 155 Q C 1.174 177.088 176.000 -0.144 0.000 0.963 155 Q CA 1.352 57.072 55.803 -0.139 0.000 0.894 155 Q CB 0.328 28.994 28.738 -0.119 0.000 0.965 155 Q HN 0.710 nan 8.270 nan 0.000 0.475 156 Q N -1.088 118.626 119.800 -0.144 0.000 2.219 156 Q HA 0.228 4.572 4.340 0.006 0.000 0.209 156 Q C 0.112 176.033 176.000 -0.132 0.000 0.854 156 Q CA -0.216 55.513 55.803 -0.124 0.000 0.960 156 Q CB 0.103 28.784 28.738 -0.096 0.000 1.116 156 Q HN 0.143 nan 8.270 nan 0.000 0.500 157 L N 2.241 123.369 121.223 -0.159 0.000 2.529 157 L HA 0.093 4.436 4.340 0.006 0.000 0.287 157 L C 1.044 177.883 176.870 -0.051 0.000 1.241 157 L CA 0.287 55.048 54.840 -0.132 0.000 0.857 157 L CB 0.190 42.197 42.059 -0.087 0.000 1.113 157 L HN 0.288 nan 8.230 nan 0.000 0.504 158 G N 2.041 110.802 108.800 -0.064 0.000 2.614 158 G HA2 -0.102 3.862 3.960 0.006 0.000 0.239 158 G HA3 -0.102 3.862 3.960 0.006 0.000 0.239 158 G C 0.793 175.686 174.900 -0.013 0.000 1.240 158 G CA -0.170 44.897 45.100 -0.055 0.000 0.842 158 G HN 1.047 nan 8.290 nan 0.000 0.584 159 W N 0.984 122.251 121.300 -0.055 0.000 2.363 159 W HA -0.126 4.537 4.660 0.005 0.000 0.296 159 W C 1.266 177.763 176.519 -0.036 0.000 1.212 159 W CA 1.224 58.544 57.345 -0.042 0.000 1.260 159 W CB -1.132 28.259 29.460 -0.116 0.000 1.131 159 W HN 0.213 nan 8.180 nan 0.000 0.530 160 V N 1.976 121.346 119.914 -0.908 0.000 2.358 160 V HA -0.280 3.843 4.120 0.006 0.000 0.246 160 V C 2.502 178.365 176.094 -0.385 0.000 1.047 160 V CA 2.446 64.247 62.300 -0.831 0.000 1.035 160 V CB -0.907 30.320 31.823 -0.993 0.000 0.658 160 V HN 0.121 nan 8.190 nan 0.000 0.452 161 E N -0.612 119.440 120.200 -0.246 0.000 2.077 161 E HA -0.248 4.105 4.350 0.006 0.000 0.193 161 E C 1.994 178.570 176.600 -0.041 0.000 0.989 161 E CA 1.537 57.867 56.400 -0.117 0.000 0.800 161 E CB -0.246 29.395 29.700 -0.099 0.000 0.746 161 E HN 0.787 nan 8.360 nan 0.000 0.452 162 W N 1.640 122.861 121.300 -0.131 0.000 2.335 162 W HA -0.228 4.435 4.660 0.004 0.000 0.311 162 W C 1.609 178.102 176.519 -0.044 0.000 1.213 162 W CA 1.206 58.511 57.345 -0.065 0.000 1.274 162 W CB -0.415 29.010 29.460 -0.058 0.000 1.148 162 W HN 0.093 nan 8.180 nan 0.000 0.498 163 L N 0.763 121.913 121.223 -0.122 0.000 2.042 163 L HA -0.294 4.049 4.340 0.006 0.000 0.210 163 L C 2.858 179.616 176.870 -0.187 0.000 1.076 163 L CA 1.841 56.562 54.840 -0.198 0.000 0.749 163 L CB -0.862 40.996 42.059 -0.336 0.000 0.893 163 L HN 0.064 nan 8.230 nan 0.000 0.432 164 Q N -1.383 118.336 119.800 -0.135 0.000 2.124 164 Q HA -0.271 4.073 4.340 0.006 0.000 0.202 164 Q C 2.005 177.932 176.000 -0.121 0.000 0.977 164 Q CA 2.060 57.863 55.803 -0.000 0.000 0.850 164 Q CB -0.253 28.501 28.738 0.026 0.000 0.901 164 Q HN 0.539 nan 8.270 nan 0.000 0.429 165 Y N -0.135 119.948 120.300 -0.362 0.000 2.184 165 Y HA -0.144 4.408 4.550 0.004 0.000 0.290 165 Y C 2.453 177.972 175.900 -0.633 0.000 1.129 165 Y CA 1.675 59.502 58.100 -0.455 0.000 1.144 165 Y CB -0.346 37.794 38.460 -0.533 0.000 0.995 165 Y HN -0.037 nan 8.280 nan 0.000 0.513 166 S N -1.033 113.892 115.700 -1.291 0.000 2.421 166 S HA 0.107 4.580 4.470 0.006 0.000 0.224 166 S C -0.103 173.691 174.600 -1.343 0.000 1.035 166 S CA 0.234 57.402 58.200 -1.720 0.000 0.953 166 S CB -0.302 61.608 63.200 -2.150 0.000 0.810 166 S HN 0.288 nan 8.310 nan 0.000 0.497 167 F N 2.290 122.026 119.950 -0.357 0.000 2.584 167 F HA 0.491 5.021 4.527 0.004 0.000 0.328 167 F C -2.785 173.009 175.800 -0.009 0.000 1.407 167 F CA -2.932 55.000 58.000 -0.112 0.000 1.145 167 F CB 0.485 39.512 39.000 0.045 0.000 1.440 167 F HN -0.034 nan 8.300 nan 0.000 0.580 168 P HA 0.017 nan 4.420 nan 0.000 0.266 168 P C 0.224 177.548 177.300 0.041 0.000 1.195 168 P CA 0.010 63.123 63.100 0.021 0.000 0.768 168 P CB 0.906 32.557 31.700 -0.081 0.000 0.838 169 L N 2.547 123.770 121.223 -0.000 0.000 2.483 169 L HA 0.034 4.377 4.340 0.006 0.000 0.276 169 L C 1.087 177.912 176.870 -0.074 0.000 1.213 169 L CA 0.477 55.265 54.840 -0.087 0.000 0.843 169 L CB -0.123 41.806 42.059 -0.217 0.000 1.107 169 L HN 0.321 nan 8.230 nan 0.000 0.487 170 Q N 4.488 124.276 119.800 -0.021 0.000 2.462 170 Q HA 0.478 4.821 4.340 0.006 0.000 0.247 170 Q C -1.131 174.842 176.000 -0.044 0.000 1.044 170 Q CA -0.246 55.543 55.803 -0.023 0.000 0.803 170 Q CB 1.430 30.186 28.738 0.029 0.000 1.190 170 Q HN 0.496 nan 8.270 nan 0.000 0.507 171 L N 0.959 122.091 121.223 -0.151 0.000 2.334 171 L HA 0.434 4.778 4.340 0.006 0.000 0.272 171 L C 0.527 177.307 176.870 -0.150 0.000 1.020 171 L CA -1.124 53.570 54.840 -0.243 0.000 0.812 171 L CB 1.326 43.129 42.059 -0.428 0.000 1.264 171 L HN 0.354 nan 8.230 nan 0.000 0.439 172 E N 1.648 121.761 120.200 -0.146 0.000 2.392 172 E HA 0.196 4.549 4.350 0.006 0.000 0.264 172 E C -1.956 174.566 176.600 -0.130 0.000 1.024 172 E CA -1.224 55.114 56.400 -0.103 0.000 0.903 172 E CB 0.340 29.985 29.700 -0.093 0.000 0.963 172 E HN 0.327 nan 8.360 nan 0.000 0.432 188 R N 0.928 121.440 120.500 0.019 0.000 2.750 188 R HA 0.768 5.111 4.340 0.006 0.000 0.281 188 R C -1.013 175.296 176.300 0.014 0.000 0.972 188 R CA -0.383 55.727 56.100 0.017 0.000 0.912 188 R CB 1.915 32.224 30.300 0.015 0.000 1.187 188 R HN 0.165 nan 8.270 nan 0.000 0.464 189 A N 3.495 126.324 122.820 0.015 0.000 2.371 189 A HA 0.516 4.839 4.320 0.006 0.000 0.257 189 A C -0.599 176.993 177.584 0.013 0.000 1.089 189 A CA -0.399 51.647 52.037 0.016 0.000 0.794 189 A CB 0.326 19.337 19.000 0.017 0.000 1.029 189 A HN 0.654 nan 8.150 nan 0.000 0.488 190 L N 0.877 122.110 121.223 0.016 0.000 2.513 190 L HA 0.693 5.037 4.340 0.006 0.000 0.261 190 L C -1.559 175.325 176.870 0.022 0.000 0.945 190 L CA -0.694 54.152 54.840 0.011 0.000 0.848 190 L CB 1.363 43.421 42.059 -0.002 0.000 1.334 190 L HN 0.556 nan 8.230 nan 0.000 0.407 191 L N 4.123 125.356 121.223 0.017 0.000 2.326 191 L HA 0.749 5.092 4.340 0.006 0.000 0.278 191 L C -0.591 176.288 176.870 0.016 0.000 1.092 191 L CA -0.787 54.066 54.840 0.021 0.000 0.810 191 L CB 1.711 43.774 42.059 0.007 0.000 1.153 191 L HN 0.506 nan 8.230 nan 0.000 0.439 192 V N 2.710 122.646 119.914 0.035 0.000 2.760 192 V HA 0.320 4.443 4.120 0.006 0.000 0.309 192 V C -0.451 175.637 176.094 -0.009 0.000 1.077 192 V CA -0.821 61.493 62.300 0.023 0.000 0.910 192 V CB 2.190 34.055 31.823 0.070 0.000 1.008 192 V HN 0.763 nan 8.190 nan 0.000 0.424 193 N N 2.772 121.369 118.700 -0.172 0.000 2.419 193 N HA 0.626 5.370 4.740 0.006 0.000 0.277 193 N C -1.527 173.917 175.510 -0.111 0.000 1.006 193 N CA -0.130 52.761 53.050 -0.264 0.000 0.923 193 N CB 1.964 40.010 38.487 -0.734 0.000 1.140 193 N HN 0.442 nan 8.380 nan 0.000 0.488 194 V N 3.604 123.541 119.914 0.039 0.000 2.638 194 V HA 0.447 4.570 4.120 0.006 0.000 0.306 194 V C -0.348 175.783 176.094 0.062 0.000 1.052 194 V CA -0.817 61.543 62.300 0.100 0.000 0.885 194 V CB 1.805 33.791 31.823 0.273 0.000 0.999 194 V HN 0.690 nan 8.190 nan 0.000 0.424 195 K N 2.822 123.196 120.400 -0.044 0.000 2.395 195 K HA 0.786 5.109 4.320 0.006 0.000 0.245 195 K C -1.478 175.079 176.600 -0.072 0.000 1.017 195 K CA -0.796 55.466 56.287 -0.042 0.000 0.852 195 K CB 2.205 34.670 32.500 -0.058 0.000 1.311 195 K HN 0.298 nan 8.250 nan 0.000 0.452 196 F N 0.967 120.947 119.950 0.049 0.000 2.440 196 F HA 0.181 4.711 4.527 0.005 0.000 0.328 196 F C 1.995 177.841 175.800 0.076 0.000 1.070 196 F CA -0.395 57.663 58.000 0.096 0.000 1.011 196 F CB 1.728 40.806 39.000 0.131 0.000 1.226 196 F HN 0.898 nan 8.300 nan 0.000 0.491 197 E N 1.795 122.156 120.200 0.268 0.000 2.055 197 E HA -0.209 4.144 4.350 0.006 0.000 0.209 197 E C 1.351 178.033 176.600 0.137 0.000 1.036 197 E CA 1.739 58.241 56.400 0.170 0.000 0.849 197 E CB -0.334 29.474 29.700 0.179 0.000 0.767 197 E HN 0.771 nan 8.360 nan 0.000 0.461 198 G N 0.128 109.019 108.800 0.152 0.000 3.939 198 G HA2 0.307 4.270 3.960 0.006 0.000 0.268 198 G HA3 0.307 4.270 3.960 0.006 0.000 0.268 198 G C -0.854 174.106 174.900 0.100 0.000 1.172 198 G CA 0.084 45.247 45.100 0.105 0.000 1.614 198 G HN 0.135 nan 8.290 nan 0.000 0.639 199 S N -0.656 115.099 115.700 0.091 0.000 2.536 199 S HA 0.384 4.857 4.470 0.006 0.000 0.271 199 S C 0.370 174.976 174.600 0.011 0.000 1.134 199 S CA -0.498 57.738 58.200 0.060 0.000 0.897 199 S CB 1.768 65.018 63.200 0.083 0.000 1.094 199 S HN 0.142 nan 8.310 nan 0.000 0.473 200 E N 1.783 121.974 120.200 -0.015 0.000 2.158 200 E HA 0.109 4.462 4.350 0.006 0.000 0.191 200 E C -0.100 176.439 176.600 -0.102 0.000 0.982 200 E CA 0.773 57.148 56.400 -0.042 0.000 0.823 200 E CB 0.128 29.810 29.700 -0.030 0.000 0.766 200 E HN 0.690 nan 8.360 nan 0.000 0.468 201 E N 0.626 120.736 120.200 -0.149 0.000 2.344 201 E HA 0.204 4.557 4.350 0.006 0.000 0.270 201 E C -0.392 175.905 176.600 -0.506 0.000 1.021 201 E CA -0.159 56.063 56.400 -0.296 0.000 0.887 201 E CB 0.964 30.485 29.700 -0.299 0.000 0.997 201 E HN 0.048 nan 8.360 nan 0.000 0.429 202 S N 2.430 117.768 115.700 -0.603 0.000 2.632 202 S HA 0.720 5.194 4.470 0.006 0.000 0.289 202 S C -0.950 173.137 174.600 -0.855 0.000 1.115 202 S CA -0.947 56.835 58.200 -0.697 0.000 0.889 202 S CB 0.874 63.892 63.200 -0.305 0.000 1.116 202 S HN 0.319 nan 8.310 nan 0.000 0.486 203 F N -0.015 119.833 119.950 -0.170 0.000 2.551 203 F HA 0.575 5.105 4.527 0.006 0.000 0.316 203 F C 0.192 175.652 175.800 -0.567 0.000 1.089 203 F CA -0.758 56.990 58.000 -0.419 0.000 0.915 203 F CB 2.206 40.844 39.000 -0.603 0.000 1.186 203 F HN 0.504 nan 8.300 nan 0.000 0.456 204 T N 3.233 117.550 114.554 -0.394 0.000 2.767 204 T HA 0.610 4.963 4.350 0.006 0.000 0.284 204 T C -0.963 173.468 174.700 -0.449 0.000 0.973 204 T CA -0.347 61.556 62.100 -0.329 0.000 0.996 204 T CB 0.204 68.969 68.868 -0.172 0.000 0.927 204 T HN 0.235 nan 8.240 nan 0.000 0.456 205 F N 1.509 121.466 119.950 0.010 0.000 2.522 205 F HA 0.458 4.988 4.527 0.005 0.000 0.324 205 F C 0.541 176.335 175.800 -0.010 0.000 1.077 205 F CA -1.173 56.827 58.000 0.000 0.000 0.944 205 F CB 1.725 40.721 39.000 -0.007 0.000 1.175 205 F HN 0.361 nan 8.300 nan 0.000 0.468 206 Q N 3.019 122.928 119.800 0.182 0.000 2.274 206 Q HA 0.628 4.971 4.340 0.006 0.000 0.256 206 Q C -1.052 175.005 176.000 0.096 0.000 0.927 206 Q CA -0.531 55.334 55.803 0.104 0.000 0.939 206 Q CB 1.350 30.126 28.738 0.064 0.000 1.201 206 Q HN 0.703 nan 8.270 nan 0.000 0.426 207 V N -0.031 119.921 119.914 0.063 0.000 3.156 207 V HA 0.717 4.840 4.120 0.006 0.000 0.311 207 V C -0.605 175.503 176.094 0.023 0.000 1.208 207 V CA -1.044 61.275 62.300 0.032 0.000 1.063 207 V CB 1.601 33.433 31.823 0.015 0.000 1.098 207 V HN 0.688 nan 8.190 nan 0.000 0.452 208 S N -0.277 115.431 115.700 0.014 0.000 2.565 208 S HA 0.399 4.872 4.470 0.006 0.000 0.290 208 S C 1.324 175.933 174.600 0.014 0.000 1.150 208 S CA 0.252 58.460 58.200 0.013 0.000 1.058 208 S CB 1.399 64.605 63.200 0.010 0.000 1.032 208 S HN 1.462 nan 8.310 nan 0.000 0.510 209 T N 2.031 116.594 114.554 0.014 0.000 2.869 209 T HA -0.189 4.164 4.350 0.006 0.000 0.270 209 T C 1.309 176.018 174.700 0.014 0.000 1.082 209 T CA 1.651 63.762 62.100 0.019 0.000 1.123 209 T CB -0.571 68.308 68.868 0.017 0.000 0.856 209 T HN 0.823 nan 8.240 nan 0.000 0.499 210 K N 0.752 121.154 120.400 0.003 0.000 2.361 210 K HA 0.144 4.467 4.320 0.006 0.000 0.196 210 K C 0.146 176.736 176.600 -0.016 0.000 1.039 210 K CA 0.055 56.332 56.287 -0.018 0.000 1.001 210 K CB 0.014 32.507 32.500 -0.012 0.000 0.795 210 K HN 0.194 nan 8.250 nan 0.000 0.495 211 D N 1.758 122.159 120.400 0.002 0.000 2.423 211 D HA 0.018 4.662 4.640 0.006 0.000 0.238 211 D C 0.436 176.755 176.300 0.032 0.000 1.142 211 D CA 0.436 54.440 54.000 0.007 0.000 0.884 211 D CB 0.536 41.336 40.800 0.001 0.000 1.199 211 D HN 0.043 nan 8.370 nan 0.000 0.438 212 M N 2.084 121.705 119.600 0.035 0.000 2.247 212 M HA 0.146 4.629 4.480 0.006 0.000 0.326 212 M C -1.422 174.924 176.300 0.077 0.000 1.134 212 M CA -1.809 53.540 55.300 0.082 0.000 1.136 212 M CB 0.139 32.776 32.600 0.062 0.000 1.454 212 M HN -0.012 nan 8.290 nan 0.000 0.467 213 P HA -0.131 nan 4.420 nan 0.000 0.218 213 P C 1.652 178.974 177.300 0.038 0.000 1.148 213 P CA 0.906 64.035 63.100 0.049 0.000 0.822 213 P CB 0.022 31.759 31.700 0.061 0.000 0.784 214 L N -0.138 121.126 121.223 0.068 0.000 2.013 214 L HA -0.195 4.148 4.340 0.006 0.000 0.212 214 L C 2.308 179.179 176.870 0.002 0.000 1.073 214 L CA 2.242 57.115 54.840 0.054 0.000 0.753 214 L CB -1.497 40.602 42.059 0.067 0.000 0.890 214 L HN -0.095 nan 8.230 nan 0.000 0.432 215 A N -0.889 121.924 122.820 -0.011 0.000 1.908 215 A HA -0.231 4.092 4.320 0.006 0.000 0.218 215 A C 2.361 179.881 177.584 -0.107 0.000 1.181 215 A CA 2.029 54.038 52.037 -0.047 0.000 0.627 215 A CB -0.988 17.991 19.000 -0.034 0.000 0.818 215 A HN 0.539 nan 8.150 nan 0.000 0.445 216 L N -0.938 120.221 121.223 -0.107 0.000 2.017 216 L HA -0.194 4.150 4.340 0.006 0.000 0.208 216 L C 2.653 179.370 176.870 -0.254 0.000 1.073 216 L CA 1.876 56.603 54.840 -0.188 0.000 0.745 216 L CB -0.233 41.756 42.059 -0.116 0.000 0.894 216 L HN 0.433 nan 8.230 nan 0.000 0.432 217 M N -0.815 118.691 119.600 -0.156 0.000 2.213 217 M HA -0.177 4.306 4.480 0.006 0.000 0.263 217 M C 2.341 178.539 176.300 -0.169 0.000 1.062 217 M CA 1.492 56.693 55.300 -0.165 0.000 1.105 217 M CB -0.528 32.035 32.600 -0.062 0.000 1.385 217 M HN 0.461 nan 8.290 nan 0.000 0.417 218 A N -0.086 122.655 122.820 -0.133 0.000 1.877 218 A HA -0.176 4.147 4.320 0.006 0.000 0.216 218 A C 2.310 179.782 177.584 -0.186 0.000 1.186 218 A CA 1.666 53.635 52.037 -0.113 0.000 0.620 218 A CB -1.244 17.712 19.000 -0.074 0.000 0.822 218 A HN 0.585 nan 8.150 nan 0.000 0.443 219 C N -0.954 118.156 119.300 -0.317 0.000 2.413 219 C HA -0.037 4.426 4.460 0.006 0.000 0.276 219 C C 3.336 177.987 174.990 -0.566 0.000 1.236 219 C CA 0.967 59.679 59.018 -0.510 0.000 1.735 219 C CB -1.444 25.759 27.740 -0.895 0.000 2.031 219 C HN 0.708 nan 8.230 nan 0.000 0.474 220 A N 0.132 122.601 122.820 -0.585 0.000 1.908 220 A HA -0.149 4.175 4.320 0.006 0.000 0.218 220 A C 2.098 179.717 177.584 0.058 0.000 1.181 220 A CA 1.717 53.639 52.037 -0.192 0.000 0.627 220 A CB -0.618 18.281 19.000 -0.168 0.000 0.818 220 A HN 0.633 nan 8.150 nan 0.000 0.445 221 L N -1.362 119.869 121.223 0.014 0.000 2.109 221 L HA -0.114 4.230 4.340 0.006 0.000 0.207 221 L C 2.837 179.684 176.870 -0.038 0.000 1.086 221 L CA 1.099 55.972 54.840 0.055 0.000 0.760 221 L CB -0.396 41.673 42.059 0.018 0.000 0.910 221 L HN 0.318 nan 8.230 nan 0.000 0.437 222 R N -0.298 120.158 120.500 -0.074 0.000 2.096 222 R HA -0.141 4.202 4.340 0.006 0.000 0.235 222 R C 2.324 178.563 176.300 -0.100 0.000 1.127 222 R CA 0.880 56.937 56.100 -0.072 0.000 0.968 222 R CB -0.179 30.080 30.300 -0.069 0.000 0.861 222 R HN 0.150 nan 8.270 nan 0.000 0.440 223 K N 1.374 121.682 120.400 -0.154 0.000 2.025 223 K HA -0.151 4.172 4.320 0.006 0.000 0.207 223 K C 1.913 178.268 176.600 -0.408 0.000 1.049 223 K CA 1.321 57.422 56.287 -0.309 0.000 0.933 223 K CB -0.128 32.083 32.500 -0.481 0.000 0.714 223 K HN 0.038 nan 8.250 nan 0.000 0.438 224 K N 0.214 120.400 120.400 -0.357 0.000 2.063 224 K HA -0.131 4.192 4.320 0.006 0.000 0.208 224 K C 1.880 178.399 176.600 -0.134 0.000 1.048 224 K CA 1.514 57.650 56.287 -0.251 0.000 0.928 224 K CB -0.133 32.153 32.500 -0.357 0.000 0.713 224 K HN 0.111 nan 8.250 nan 0.000 0.442 225 A N 0.458 123.231 122.820 -0.079 0.000 1.969 225 A HA -0.122 4.201 4.320 0.006 0.000 0.218 225 A C 2.151 179.738 177.584 0.006 0.000 1.169 225 A CA 1.999 54.033 52.037 -0.005 0.000 0.635 225 A CB -0.907 18.089 19.000 -0.007 0.000 0.810 225 A HN 0.663 nan 8.150 nan 0.000 0.445 226 T N -2.706 111.827 114.554 -0.035 0.000 2.851 226 T HA -0.071 4.282 4.350 0.006 0.000 0.262 226 T C 1.723 176.418 174.700 -0.008 0.000 1.043 226 T CA 1.435 63.523 62.100 -0.020 0.000 1.140 226 T CB -0.756 68.091 68.868 -0.035 0.000 0.872 226 T HN 0.060 nan 8.240 nan 0.000 0.446 227 V N 0.653 120.539 119.914 -0.046 0.000 2.261 227 V HA -0.034 4.089 4.120 0.006 0.000 0.246 227 V C 2.350 178.463 176.094 0.032 0.000 1.047 227 V CA 1.508 63.776 62.300 -0.053 0.000 1.015 227 V CB -0.945 30.798 31.823 -0.134 0.000 0.642 227 V HN 0.378 nan 8.190 nan 0.000 0.446 228 F N 0.615 120.555 119.950 -0.016 0.000 2.802 228 F HA 0.228 4.758 4.527 0.005 0.000 0.300 228 F C 1.379 177.162 175.800 -0.027 0.000 1.168 228 F CA -0.176 57.808 58.000 -0.027 0.000 1.433 228 F CB -0.494 38.475 39.000 -0.051 0.000 1.115 228 F HN 0.148 nan 8.300 nan 0.000 0.582 229 R N 0.237 120.827 120.500 0.151 0.000 3.878 229 R HA -0.268 4.075 4.340 0.006 0.000 0.330 229 R C 0.464 176.794 176.300 0.050 0.000 1.186 229 R CA 0.895 57.041 56.100 0.076 0.000 0.885 229 R CB -2.257 28.081 30.300 0.064 0.000 1.377 229 R HN 0.647 nan 8.270 nan 0.000 0.523 236 P HA -0.160 nan 4.420 nan 0.000 0.218 236 P C 0.082 177.569 177.300 0.311 0.000 1.148 236 P CA 1.239 64.477 63.100 0.230 0.000 0.822 236 P CB 0.381 32.148 31.700 0.111 0.000 0.784 237 E N -0.302 120.049 120.200 0.252 0.000 2.401 237 E HA -0.141 4.212 4.350 0.006 0.000 0.199 237 E C 1.546 178.358 176.600 0.354 0.000 1.023 237 E CA 0.669 57.229 56.400 0.266 0.000 0.859 237 E CB -0.687 29.125 29.700 0.188 0.000 0.780 237 E HN 0.409 nan 8.360 nan 0.000 0.523 238 E N -0.510 119.852 120.200 0.270 0.000 2.502 238 E HA -0.010 4.343 4.350 0.006 0.000 0.194 238 E C -0.318 176.027 176.600 -0.424 0.000 1.062 238 E CA 0.383 56.740 56.400 -0.072 0.000 0.867 238 E CB 0.233 29.878 29.700 -0.091 0.000 0.888 238 E HN 0.346 nan 8.360 nan 0.000 0.510 239 Y N -0.410 119.937 120.300 0.078 0.000 2.570 239 Y HA 0.551 5.104 4.550 0.006 0.000 0.345 239 Y C 0.069 176.119 175.900 0.251 0.000 1.014 239 Y CA -1.022 57.118 58.100 0.066 0.000 1.063 239 Y CB 1.824 40.352 38.460 0.113 0.000 1.272 239 Y HN -0.193 nan 8.280 nan 0.000 0.477 240 A N 1.828 124.896 122.820 0.413 0.000 2.384 240 A HA 0.837 5.161 4.320 0.006 0.000 0.312 240 A C -1.768 176.035 177.584 0.365 0.000 1.113 240 A CA -0.828 51.482 52.037 0.455 0.000 0.779 240 A CB 1.111 20.429 19.000 0.529 0.000 1.307 240 A HN 0.733 nan 8.150 nan 0.000 0.436 241 L N 1.617 123.004 121.223 0.272 0.000 2.265 241 L HA 0.386 4.729 4.340 0.006 0.000 0.289 241 L C 0.395 177.193 176.870 -0.120 0.000 1.033 241 L CA -0.176 54.696 54.840 0.053 0.000 0.814 241 L CB 1.424 43.462 42.059 -0.033 0.000 1.203 241 L HN 0.833 nan 8.230 nan 0.000 0.423 242 Q N 2.205 121.785 119.800 -0.366 0.000 2.261 242 Q HA 0.327 4.670 4.340 0.006 0.000 0.252 242 Q C -0.814 174.896 176.000 -0.483 0.000 0.915 242 Q CA -0.689 54.610 55.803 -0.840 0.000 0.915 242 Q CB 1.794 29.996 28.738 -0.894 0.000 1.204 242 Q HN 0.401 nan 8.270 nan 0.000 0.421 243 V N 4.605 124.207 119.914 -0.520 0.000 2.521 243 V HA -0.006 4.117 4.120 0.006 0.000 0.286 243 V C 0.030 175.901 176.094 -0.371 0.000 1.034 243 V CA -0.440 61.563 62.300 -0.495 0.000 1.045 243 V CB 0.577 31.963 31.823 -0.728 0.000 0.974 243 V HN 0.767 nan 8.190 nan 0.000 0.480 244 N N 4.010 122.567 118.700 -0.238 0.000 2.365 244 N HA 0.205 4.949 4.740 0.006 0.000 0.265 244 N C 1.244 176.665 175.510 -0.149 0.000 1.288 244 N CA 1.317 54.283 53.050 -0.141 0.000 0.869 244 N CB 0.522 38.989 38.487 -0.034 0.000 1.071 244 N HN 1.085 nan 8.380 nan 0.000 0.480 245 G N 1.441 110.167 108.800 -0.125 0.000 2.155 245 G HA2 -0.320 3.643 3.960 0.006 0.000 0.257 245 G HA3 -0.320 3.643 3.960 0.006 0.000 0.257 245 G C 0.063 174.877 174.900 -0.144 0.000 0.983 245 G CA 0.172 45.208 45.100 -0.107 0.000 0.676 245 G HN 0.607 nan 8.290 nan 0.000 0.528 246 R N -1.140 119.252 120.500 -0.181 0.000 2.854 246 R HA 0.490 4.833 4.340 0.006 0.000 0.271 246 R C -0.853 175.385 176.300 -0.103 0.000 0.994 246 R CA -1.079 54.917 56.100 -0.174 0.000 0.945 246 R CB 0.866 31.049 30.300 -0.194 0.000 1.194 246 R HN 0.177 nan 8.270 nan 0.000 0.476 247 H N 1.578 120.595 119.070 -0.088 0.000 2.855 247 H HA 0.210 4.768 4.556 0.004 0.000 0.238 247 H C -0.576 174.736 175.328 -0.026 0.000 1.847 247 H CA 0.119 56.129 56.048 -0.063 0.000 1.368 247 H CB -0.272 29.643 29.762 0.254 0.000 1.758 247 H HN 0.443 nan 8.280 nan 0.000 0.546 248 E N 1.710 121.860 120.200 -0.082 0.000 2.335 248 E HA 0.298 4.651 4.350 0.006 0.000 0.280 248 E C -1.537 174.963 176.600 -0.168 0.000 0.918 248 E CA -0.672 55.719 56.400 -0.014 0.000 0.765 248 E CB 1.555 31.199 29.700 -0.094 0.000 1.218 248 E HN 0.176 nan 8.360 nan 0.000 0.425 249 Y N 2.049 122.321 120.300 -0.046 0.000 2.499 249 Y HA 0.486 5.038 4.550 0.005 0.000 0.347 249 Y C -0.758 175.081 175.900 -0.101 0.000 0.987 249 Y CA -0.869 57.237 58.100 0.010 0.000 1.044 249 Y CB 1.561 40.177 38.460 0.260 0.000 1.245 249 Y HN 0.415 nan 8.280 nan 0.000 0.461 250 L N 4.298 125.496 121.223 -0.042 0.000 2.305 250 L HA 0.528 4.872 4.340 0.006 0.000 0.284 250 L C -1.061 175.790 176.870 -0.033 0.000 1.013 250 L CA -0.972 53.604 54.840 -0.441 0.000 0.819 250 L CB 0.292 41.901 42.059 -0.750 0.000 1.227 250 L HN 0.615 nan 8.230 nan 0.000 0.417 251 Y N 0.903 121.271 120.300 0.115 0.000 2.713 251 Y HA 0.866 5.419 4.550 0.005 0.000 0.335 251 Y C 0.106 176.275 175.900 0.448 0.000 1.222 251 Y CA -1.155 57.090 58.100 0.241 0.000 1.061 251 Y CB 0.928 39.520 38.460 0.219 0.000 1.314 251 Y HN 0.869 nan 8.280 nan 0.000 0.453 252 G N 1.056 110.184 108.800 0.547 0.000 2.592 252 G HA2 -0.130 3.833 3.960 0.006 0.000 0.684 252 G HA3 -0.130 3.833 3.960 0.006 0.000 0.684 252 G C -1.479 173.559 174.900 0.230 0.000 1.291 252 G CA -0.814 44.547 45.100 0.435 0.000 0.891 252 G HN 0.884 nan 8.290 nan 0.000 0.544 253 N N 0.764 119.363 118.700 -0.168 0.000 3.245 253 N HA 0.486 5.229 4.740 0.006 0.000 0.296 253 N C -1.153 174.014 175.510 -0.572 0.000 1.254 253 N CA 0.316 53.178 53.050 -0.314 0.000 1.190 253 N CB -0.473 37.798 38.487 -0.360 0.000 1.460 253 N HN 0.436 nan 8.380 nan 0.000 0.538 254 Y N -0.236 120.085 120.300 0.036 0.000 2.457 254 Y HA 0.414 4.967 4.550 0.006 0.000 0.343 254 Y C -2.138 173.726 175.900 -0.061 0.000 0.994 254 Y CA -2.417 55.618 58.100 -0.108 0.000 1.031 254 Y CB 1.845 40.087 38.460 -0.362 0.000 1.246 254 Y HN 0.139 nan 8.280 nan 0.000 0.449 255 P HA 0.103 nan 4.420 nan 0.000 0.269 255 P C 0.662 178.008 177.300 0.076 0.000 1.209 255 P CA -0.044 62.990 63.100 -0.109 0.000 0.776 255 P CB 1.286 32.769 31.700 -0.362 0.000 0.876 256 L N 2.301 123.634 121.223 0.183 0.000 2.081 256 L HA -0.228 4.115 4.340 0.006 0.000 0.212 256 L C 2.546 179.593 176.870 0.295 0.000 1.080 256 L CA 2.074 57.106 54.840 0.320 0.000 0.754 256 L CB -0.909 41.236 42.059 0.143 0.000 0.893 256 L HN 0.517 nan 8.230 nan 0.000 0.433 257 C N -2.866 116.523 119.300 0.149 0.000 2.491 257 C HA -0.066 4.397 4.460 0.006 0.000 0.277 257 C C 2.123 177.246 174.990 0.221 0.000 1.455 257 C CA -0.175 58.928 59.018 0.141 0.000 1.758 257 C CB -1.943 25.858 27.740 0.102 0.000 1.745 257 C HN 0.482 nan 8.230 nan 0.000 0.558 258 H N -1.401 117.658 119.070 -0.019 0.000 2.551 258 H HA 0.195 4.755 4.556 0.005 0.000 0.266 258 H C -0.125 175.016 175.328 -0.313 0.000 0.964 258 H CA -0.075 55.870 56.048 -0.172 0.000 1.180 258 H CB 0.048 29.675 29.762 -0.223 0.000 1.408 258 H HN 0.443 nan 8.280 nan 0.000 0.563 259 F N 1.740 121.730 119.950 0.068 0.000 2.424 259 F HA 0.056 4.586 4.527 0.005 0.000 0.356 259 F C 1.497 177.310 175.800 0.022 0.000 1.110 259 F CA -0.251 57.753 58.000 0.007 0.000 1.161 259 F CB 1.110 40.126 39.000 0.026 0.000 1.115 259 F HN 0.012 nan 8.300 nan 0.000 0.507 260 Q N 2.042 121.938 119.800 0.160 0.000 2.156 260 Q HA -0.317 4.026 4.340 0.006 0.000 0.211 260 Q C 1.673 177.774 176.000 0.169 0.000 0.995 260 Q CA 2.276 58.154 55.803 0.126 0.000 0.877 260 Q CB -0.405 28.393 28.738 0.100 0.000 0.920 260 Q HN 0.840 nan 8.270 nan 0.000 0.416 261 Y N 1.010 121.366 120.300 0.094 0.000 2.163 261 Y HA -0.221 4.332 4.550 0.007 0.000 0.288 261 Y C 1.941 177.874 175.900 0.054 0.000 1.136 261 Y CA 1.206 59.341 58.100 0.058 0.000 1.147 261 Y CB -0.186 38.288 38.460 0.024 0.000 0.987 261 Y HN 0.022 nan 8.280 nan 0.000 0.509 262 I N -0.563 119.943 120.570 -0.107 0.000 2.179 262 I HA -0.323 3.850 4.170 0.006 0.000 0.242 262 I C 2.940 178.960 176.117 -0.162 0.000 1.088 262 I CA 1.436 62.615 61.300 -0.201 0.000 1.357 262 I CB -1.905 36.104 38.000 0.014 0.000 1.051 262 I HN 0.448 nan 8.210 nan 0.000 0.409 263 C N 0.461 119.727 119.300 -0.057 0.000 2.401 263 C HA -0.212 4.252 4.460 0.006 0.000 0.276 263 C C 3.491 178.382 174.990 -0.165 0.000 1.233 263 C CA 1.915 60.870 59.018 -0.104 0.000 1.753 263 C CB -0.926 26.807 27.740 -0.012 0.000 2.029 263 C HN 0.626 nan 8.230 nan 0.000 0.478 264 S N -1.033 114.625 115.700 -0.071 0.000 2.368 264 S HA -0.181 4.293 4.470 0.006 0.000 0.225 264 S C 1.940 176.493 174.600 -0.078 0.000 1.030 264 S CA 2.090 60.282 58.200 -0.013 0.000 0.999 264 S CB -0.716 62.516 63.200 0.052 0.000 0.844 264 S HN 0.799 nan 8.310 nan 0.000 0.459 265 C N 1.139 120.310 119.300 -0.216 0.000 2.413 265 C HA 0.034 4.497 4.460 0.006 0.000 0.277 265 C C 2.541 177.451 174.990 -0.133 0.000 1.265 265 C CA 0.741 59.632 59.018 -0.212 0.000 1.752 265 C CB -1.641 25.872 27.740 -0.377 0.000 1.998 265 C HN 0.602 nan 8.230 nan 0.000 0.489 266 L N -0.428 120.687 121.223 -0.180 0.000 2.046 266 L HA -0.169 4.175 4.340 0.006 0.000 0.208 266 L C 2.730 179.534 176.870 -0.111 0.000 1.077 266 L CA 1.415 56.149 54.840 -0.176 0.000 0.747 266 L CB -0.770 41.128 42.059 -0.269 0.000 0.896 266 L HN 0.461 nan 8.230 nan 0.000 0.432 267 H N -0.951 118.122 119.070 0.006 0.000 2.403 267 H HA -0.027 4.532 4.556 0.005 0.000 0.298 267 H C 2.586 177.928 175.328 0.024 0.000 1.059 267 H CA 1.519 57.580 56.048 0.022 0.000 1.363 267 H CB -0.248 29.536 29.762 0.036 0.000 1.410 267 H HN 0.372 nan 8.280 nan 0.000 0.528 268 S N -0.683 115.093 115.700 0.126 0.000 2.489 268 S HA 0.085 4.559 4.470 0.006 0.000 0.228 268 S C 1.821 176.447 174.600 0.043 0.000 0.995 268 S CA 0.818 59.066 58.200 0.079 0.000 0.934 268 S CB 0.026 63.265 63.200 0.065 0.000 0.771 268 S HN 0.615 nan 8.310 nan 0.000 0.522 269 G N 0.433 109.251 108.800 0.029 0.000 2.141 269 G HA2 -0.198 3.765 3.960 0.006 0.000 0.231 269 G HA3 -0.198 3.765 3.960 0.006 0.000 0.231 269 G C -0.136 174.766 174.900 0.004 0.000 0.984 269 G CA 0.169 45.277 45.100 0.015 0.000 0.660 269 G HN 0.518 nan 8.290 nan 0.000 0.525 270 L N 0.890 122.111 121.223 -0.003 0.000 2.439 270 L HA 0.607 4.951 4.340 0.006 0.000 0.259 270 L C 0.867 177.740 176.870 0.006 0.000 1.129 270 L CA -0.325 54.519 54.840 0.007 0.000 0.803 270 L CB 1.086 43.152 42.059 0.011 0.000 1.161 270 L HN 0.114 nan 8.230 nan 0.000 0.462 271 T N 2.676 117.269 114.554 0.065 0.000 2.743 271 T HA 0.292 4.646 4.350 0.006 0.000 0.293 271 T C -2.410 172.394 174.700 0.173 0.000 0.945 271 T CA -1.077 61.079 62.100 0.093 0.000 1.030 271 T CB 0.920 69.867 68.868 0.132 0.000 0.912 271 T HN 0.267 nan 8.240 nan 0.000 0.483 272 P HA 0.071 nan 4.420 nan 0.000 0.264 272 P C -0.326 177.120 177.300 0.244 0.000 1.193 272 P CA 0.040 63.217 63.100 0.128 0.000 0.763 272 P CB 0.275 31.975 31.700 0.000 0.000 0.810 273 H N 3.107 122.311 119.070 0.223 0.000 2.511 273 H HA 0.438 4.998 4.556 0.005 0.000 0.328 273 H C -0.189 175.167 175.328 0.047 0.000 1.044 273 H CA -0.557 55.551 56.048 0.100 0.000 1.212 273 H CB 1.098 30.895 29.762 0.058 0.000 1.428 273 H HN 0.265 nan 8.280 nan 0.000 0.483 274 L N 2.059 123.314 121.223 0.052 0.000 2.350 274 L HA 0.446 4.789 4.340 0.006 0.000 0.260 274 L C -0.198 176.628 176.870 -0.073 0.000 1.015 274 L CA -0.799 54.022 54.840 -0.031 0.000 0.821 274 L CB 2.557 44.598 42.059 -0.030 0.000 1.370 274 L HN 0.496 nan 8.230 nan 0.000 0.416 275 T N 1.894 116.376 114.554 -0.119 0.000 2.841 275 T HA 0.447 4.800 4.350 0.006 0.000 0.285 275 T C -0.191 174.435 174.700 -0.124 0.000 0.991 275 T CA -0.611 61.419 62.100 -0.117 0.000 0.966 275 T CB 1.534 70.352 68.868 -0.084 0.000 0.962 275 T HN 0.290 nan 8.240 nan 0.000 0.438 276 M N 3.751 123.211 119.600 -0.233 0.000 2.292 276 M HA 0.225 4.708 4.480 0.006 0.000 0.342 276 M C -0.554 175.833 176.300 0.145 0.000 1.538 276 M CA -0.074 55.099 55.300 -0.212 0.000 1.163 276 M CB -0.009 32.031 32.600 -0.934 0.000 1.823 276 M HN 0.325 nan 8.290 nan 0.000 0.462 277 V N 4.071 124.162 119.914 0.295 0.000 2.417 277 V HA 0.220 4.343 4.120 0.006 0.000 0.291 277 V C -0.045 176.168 176.094 0.199 0.000 1.024 277 V CA -0.844 61.629 62.300 0.289 0.000 0.861 277 V CB 1.446 33.440 31.823 0.286 0.000 0.985 277 V HN 0.756 nan 8.190 nan 0.000 0.436 278 H N 3.071 122.076 119.070 -0.108 0.000 2.615 278 H HA 0.185 4.745 4.556 0.005 0.000 0.363 278 H C 1.555 176.507 175.328 -0.627 0.000 1.148 278 H CA 0.638 56.294 56.048 -0.653 0.000 1.401 278 H CB 1.570 31.017 29.762 -0.525 0.000 1.461 278 H HN 0.733 nan 8.280 nan 0.000 0.588 279 S N 1.357 116.076 115.700 -1.635 0.000 2.383 279 S HA -0.245 4.229 4.470 0.006 0.000 0.229 279 S C 2.221 176.282 174.600 -0.898 0.000 1.030 279 S CA 1.231 58.406 58.200 -1.708 0.000 1.002 279 S CB -0.829 60.919 63.200 -2.420 0.000 0.829 279 S HN 0.703 nan 8.310 nan 0.000 0.467 280 S N 2.057 117.387 115.700 -0.617 0.000 2.383 280 S HA -0.157 4.316 4.470 0.006 0.000 0.229 280 S C 2.048 176.553 174.600 -0.159 0.000 1.030 280 S CA 1.430 59.500 58.200 -0.217 0.000 1.002 280 S CB -1.132 62.087 63.200 0.033 0.000 0.829 280 S HN 0.673 nan 8.310 nan 0.000 0.467 281 S N 1.630 117.255 115.700 -0.124 0.000 2.368 281 S HA 0.028 4.501 4.470 0.006 0.000 0.224 281 S C 1.834 176.384 174.600 -0.083 0.000 1.029 281 S CA 0.963 59.126 58.200 -0.062 0.000 0.988 281 S CB -0.681 62.526 63.200 0.012 0.000 0.838 281 S HN 0.594 nan 8.310 nan 0.000 0.462 282 I N 1.268 121.759 120.570 -0.131 0.000 2.252 282 I HA -0.129 4.044 4.170 0.006 0.000 0.245 282 I C 2.284 178.280 176.117 -0.202 0.000 1.102 282 I CA 1.060 62.321 61.300 -0.066 0.000 1.385 282 I CB -0.319 37.698 38.000 0.029 0.000 1.064 282 I HN 0.304 nan 8.210 nan 0.000 0.414 283 L N 0.373 121.460 121.223 -0.227 0.000 2.131 283 L HA -0.192 4.151 4.340 0.006 0.000 0.210 283 L C 2.794 179.486 176.870 -0.297 0.000 1.092 283 L CA 1.125 55.802 54.840 -0.272 0.000 0.759 283 L CB -0.670 41.270 42.059 -0.198 0.000 0.903 283 L HN 0.262 nan 8.230 nan 0.000 0.435 284 A N -0.129 122.562 122.820 -0.216 0.000 1.930 284 A HA -0.206 4.117 4.320 0.006 0.000 0.217 284 A C 2.313 179.764 177.584 -0.222 0.000 1.175 284 A CA 1.448 53.378 52.037 -0.179 0.000 0.627 284 A CB -0.361 18.576 19.000 -0.105 0.000 0.815 284 A HN 0.311 nan 8.150 nan 0.000 0.443 285 M N -1.247 118.214 119.600 -0.230 0.000 2.065 285 M HA -0.180 4.303 4.480 0.006 0.000 0.259 285 M C 2.430 178.375 176.300 -0.592 0.000 1.069 285 M CA 2.038 57.191 55.300 -0.244 0.000 1.110 285 M CB -0.479 32.105 32.600 -0.027 0.000 1.328 285 M HN 0.490 nan 8.290 nan 0.000 0.405 286 R N 0.806 120.627 120.500 -1.131 0.000 2.112 286 R HA -0.221 4.122 4.340 0.006 0.000 0.242 286 R C 1.596 177.436 176.300 -0.766 0.000 1.137 286 R CA 2.449 57.594 56.100 -1.592 0.000 0.944 286 R CB -0.362 29.142 30.300 -1.328 0.000 0.857 286 R HN 0.338 nan 8.270 nan 0.000 0.435 287 D N 0.060 120.167 120.400 -0.489 0.000 2.097 287 D HA -0.206 4.437 4.640 0.006 0.000 0.195 287 D C 1.771 177.937 176.300 -0.225 0.000 0.989 287 D CA 1.675 55.498 54.000 -0.294 0.000 0.827 287 D CB -0.421 40.250 40.800 -0.216 0.000 0.966 287 D HN 0.588 nan 8.370 nan 0.000 0.456 288 E N 0.731 120.802 120.200 -0.214 0.000 2.333 288 E HA -0.209 4.145 4.350 0.006 0.000 0.198 288 E C 0.925 177.444 176.600 -0.135 0.000 1.007 288 E CA 0.842 57.163 56.400 -0.132 0.000 0.845 288 E CB -0.182 29.464 29.700 -0.089 0.000 0.766 288 E HN 0.339 nan 8.360 nan 0.000 0.507 289 Q N 1.529 121.178 119.800 -0.252 0.000 2.201 289 Q HA 0.107 4.450 4.340 0.006 0.000 0.217 289 Q C -0.020 175.931 176.000 -0.081 0.000 0.860 289 Q CA -0.055 55.598 55.803 -0.250 0.000 0.984 289 Q CB 0.982 29.480 28.738 -0.400 0.000 1.095 289 Q HN 0.251 nan 8.270 nan 0.000 0.477 290 S N -0.177 115.473 115.700 -0.084 0.000 2.589 290 S HA 0.169 4.643 4.470 0.006 0.000 0.265 290 S C 0.326 174.919 174.600 -0.011 0.000 1.342 290 S CA -0.712 57.453 58.200 -0.059 0.000 1.005 290 S CB 0.916 64.071 63.200 -0.075 0.000 0.909 290 S HN 0.118 nan 8.310 nan 0.000 0.555 317 W N 0.552 121.763 121.300 -0.148 0.000 2.389 317 W HA -0.066 4.598 4.660 0.005 0.000 0.267 317 W C 0.811 177.263 176.519 -0.112 0.000 1.219 317 W CA 1.613 58.848 57.345 -0.182 0.000 1.189 317 W CB -1.113 28.296 29.460 -0.085 0.000 1.129 317 W HN 0.556 nan 8.180 nan 0.000 0.581 318 S N 1.440 116.785 115.700 -0.592 0.000 2.470 318 S HA 0.089 4.562 4.470 0.006 0.000 0.225 318 S C 1.133 175.482 174.600 -0.418 0.000 1.006 318 S CA 0.301 58.069 58.200 -0.719 0.000 0.934 318 S CB -0.259 62.737 63.200 -0.340 0.000 0.778 318 S HN 0.160 nan 8.310 nan 0.000 0.517 319 L N 2.148 123.216 121.223 -0.259 0.000 2.282 319 L HA 0.404 4.747 4.340 0.006 0.000 0.287 319 L C 0.772 177.564 176.870 -0.130 0.000 1.075 319 L CA -0.015 54.737 54.840 -0.147 0.000 0.839 319 L CB 0.292 42.312 42.059 -0.065 0.000 1.219 319 L HN 0.137 nan 8.230 nan 0.000 0.434 320 E N 1.335 121.459 120.200 -0.126 0.000 2.452 320 E HA -0.017 4.336 4.350 0.006 0.000 0.197 320 E C 0.526 177.104 176.600 -0.036 0.000 1.022 320 E CA -0.162 56.184 56.400 -0.090 0.000 0.890 320 E CB 0.553 30.187 29.700 -0.111 0.000 0.918 320 E HN 0.658 nan 8.360 nan 0.000 0.496 321 Q N 1.811 121.594 119.800 -0.027 0.000 2.361 321 Q HA 0.113 4.457 4.340 0.006 0.000 0.276 321 Q C -2.566 173.455 176.000 0.035 0.000 1.022 321 Q CA -1.754 54.048 55.803 -0.002 0.000 0.898 321 Q CB -0.200 28.534 28.738 -0.008 0.000 1.246 321 Q HN -0.199 nan 8.270 nan 0.000 0.410 322 P HA 0.007 nan 4.420 nan 0.000 0.266 322 P C -0.666 176.722 177.300 0.147 0.000 1.195 322 P CA -0.159 63.002 63.100 0.102 0.000 0.768 322 P CB 0.141 31.888 31.700 0.077 0.000 0.838 323 F N 3.058 123.063 119.950 0.092 0.000 2.518 323 F HA 0.322 4.852 4.527 0.005 0.000 0.359 323 F C 0.273 176.237 175.800 0.274 0.000 1.118 323 F CA 1.045 59.114 58.000 0.114 0.000 1.287 323 F CB 0.388 39.402 39.000 0.023 0.000 1.132 323 F HN 0.410 nan 8.300 nan 0.000 0.587 324 S N 6.004 121.302 115.700 -0.670 0.000 2.547 324 S HA 0.744 5.217 4.470 0.006 0.000 0.270 324 S C -0.964 173.354 174.600 -0.470 0.000 1.150 324 S CA -0.830 57.194 58.200 -0.293 0.000 0.850 324 S CB 1.316 64.434 63.200 -0.136 0.000 1.118 324 S HN 0.951 nan 8.310 nan 0.000 0.461 325 I N -1.825 118.691 120.570 -0.090 0.000 2.934 325 I HA 0.748 4.922 4.170 0.006 0.000 0.306 325 I C -0.707 175.443 176.117 0.055 0.000 1.110 325 I CA -0.878 60.429 61.300 0.012 0.000 1.019 325 I CB 2.075 40.204 38.000 0.216 0.000 1.227 325 I HN 0.782 nan 8.210 nan 0.000 0.434 326 E N 2.946 123.203 120.200 0.094 0.000 2.156 326 E HA 0.381 4.734 4.350 0.006 0.000 0.279 326 E C -1.515 175.135 176.600 0.083 0.000 0.965 326 E CA -0.972 55.473 56.400 0.075 0.000 0.789 326 E CB 1.857 31.595 29.700 0.064 0.000 1.098 326 E HN 0.639 nan 8.360 nan 0.000 0.397 327 L N 6.264 127.515 121.223 0.046 0.000 2.261 327 L HA 0.278 4.621 4.340 0.006 0.000 0.289 327 L C -0.088 176.843 176.870 0.103 0.000 1.059 327 L CA 0.460 55.302 54.840 0.004 0.000 0.816 327 L CB 0.542 42.518 42.059 -0.139 0.000 1.191 327 L HN 0.728 nan 8.230 nan 0.000 0.431 328 I N 3.304 123.940 120.570 0.111 0.000 2.522 328 I HA 0.180 4.354 4.170 0.006 0.000 0.240 328 I C 0.368 176.618 176.117 0.221 0.000 1.078 328 I CA 0.535 61.916 61.300 0.134 0.000 1.422 328 I CB 0.099 38.144 38.000 0.076 0.000 1.188 328 I HN 0.773 nan 8.210 nan 0.000 0.442 329 E N -0.580 119.761 120.200 0.236 0.000 2.432 329 E HA 0.585 4.938 4.350 0.006 0.000 0.279 329 E C -0.940 175.809 176.600 0.249 0.000 1.099 329 E CA -1.061 55.488 56.400 0.249 0.000 0.859 329 E CB 1.098 30.820 29.700 0.037 0.000 1.402 329 E HN 0.061 nan 8.360 nan 0.000 0.451 330 G N -0.005 108.904 108.800 0.182 0.000 2.714 330 G HA2 0.760 4.723 3.960 0.006 0.000 0.292 330 G HA3 0.760 4.723 3.960 0.006 0.000 0.292 330 G C -1.223 173.677 174.900 -0.000 0.000 1.308 330 G CA -1.134 44.047 45.100 0.135 0.000 0.964 330 G HN 0.388 nan 8.290 nan 0.000 0.484 331 R N 0.533 121.026 120.500 -0.012 0.000 2.605 331 R HA 0.432 4.775 4.340 0.006 0.000 0.291 331 R C -1.089 175.199 176.300 -0.020 0.000 1.226 331 R CA -0.812 55.269 56.100 -0.030 0.000 0.981 331 R CB 1.871 32.148 30.300 -0.039 0.000 1.215 331 R HN 0.813 nan 8.270 nan 0.000 0.428 332 K N -0.830 119.561 120.400 -0.014 0.000 2.670 332 K HA 0.561 4.884 4.320 0.006 0.000 0.289 332 K C -1.425 175.176 176.600 0.001 0.000 1.045 332 K CA -0.892 55.394 56.287 -0.001 0.000 0.834 332 K CB 1.121 33.633 32.500 0.021 0.000 1.531 332 K HN 0.075 nan 8.250 nan 0.000 0.376 333 V N 0.790 120.711 119.914 0.012 0.000 2.531 333 V HA 0.709 4.832 4.120 0.006 0.000 0.301 333 V C -1.099 175.011 176.094 0.027 0.000 1.034 333 V CA -0.423 61.886 62.300 0.014 0.000 0.865 333 V CB 1.130 32.961 31.823 0.013 0.000 0.995 333 V HN 0.898 nan 8.190 nan 0.000 0.424 334 N N 2.258 120.973 118.700 0.024 0.000 3.355 334 N HA 0.712 5.455 4.740 0.006 0.000 0.238 334 N C -0.860 174.666 175.510 0.026 0.000 1.466 334 N CA 0.195 53.266 53.050 0.034 0.000 0.882 334 N CB 1.615 40.131 38.487 0.048 0.000 1.406 334 N HN 0.868 nan 8.380 nan 0.000 0.500 340 K N 0.806 121.236 120.400 0.051 0.000 2.281 340 K HA 0.863 5.186 4.320 0.006 0.000 0.242 340 K C -1.463 175.177 176.600 0.067 0.000 0.971 340 K CA -0.501 55.814 56.287 0.046 0.000 0.834 340 K CB 1.729 34.257 32.500 0.048 0.000 1.181 340 K HN 0.442 nan 8.250 nan 0.000 0.435 341 L N 1.119 122.386 121.223 0.073 0.000 2.343 341 L HA 0.634 4.978 4.340 0.006 0.000 0.275 341 L C -0.696 176.252 176.870 0.130 0.000 1.056 341 L CA -1.020 53.887 54.840 0.111 0.000 0.804 341 L CB 1.423 43.593 42.059 0.186 0.000 1.203 341 L HN 0.227 nan 8.230 nan 0.000 0.440 342 V N 2.376 122.224 119.914 -0.111 0.000 2.925 342 V HA 0.452 4.575 4.120 0.006 0.000 0.311 342 V C -0.598 175.171 176.094 -0.542 0.000 1.104 342 V CA -0.695 61.427 62.300 -0.296 0.000 0.954 342 V CB 2.735 34.298 31.823 -0.434 0.000 1.022 342 V HN 0.367 nan 8.190 nan 0.000 0.427 343 V N 3.325 122.955 119.914 -0.473 0.000 2.384 343 V HA 0.450 4.574 4.120 0.006 0.000 0.287 343 V C -0.158 175.856 176.094 -0.134 0.000 1.020 343 V CA -0.442 61.640 62.300 -0.363 0.000 0.850 343 V CB 1.450 32.966 31.823 -0.513 0.000 0.987 343 V HN 0.926 nan 8.190 nan 0.000 0.436 344 Q N 3.145 123.000 119.800 0.091 0.000 2.271 344 Q HA 0.756 5.099 4.340 0.006 0.000 0.258 344 Q C -0.620 175.506 176.000 0.210 0.000 0.936 344 Q CA -0.506 55.426 55.803 0.216 0.000 0.909 344 Q CB 1.763 30.743 28.738 0.404 0.000 1.253 344 Q HN 0.908 nan 8.270 nan 0.000 0.440 345 A N 2.533 125.437 122.820 0.139 0.000 2.371 345 A HA 0.871 5.195 4.320 0.006 0.000 0.311 345 A C -0.705 176.978 177.584 0.165 0.000 1.068 345 A CA -0.194 51.870 52.037 0.046 0.000 0.744 345 A CB 1.826 20.830 19.000 0.007 0.000 1.239 345 A HN 0.770 nan 8.150 nan 0.000 0.435 346 G N 0.368 109.250 108.800 0.137 0.000 2.612 346 G HA2 0.588 4.551 3.960 0.006 0.000 0.298 346 G HA3 0.588 4.551 3.960 0.006 0.000 0.298 346 G C -1.340 173.532 174.900 -0.046 0.000 1.336 346 G CA -0.625 44.531 45.100 0.094 0.000 0.953 346 G HN 0.668 nan 8.290 nan 0.000 0.482 347 L N 0.955 122.017 121.223 -0.269 0.000 2.287 347 L HA 0.550 4.893 4.340 0.006 0.000 0.287 347 L C -0.960 175.678 176.870 -0.387 0.000 1.022 347 L CA -0.542 54.108 54.840 -0.317 0.000 0.814 347 L CB 1.199 42.987 42.059 -0.451 0.000 1.217 347 L HN 0.353 nan 8.230 nan 0.000 0.420 348 F N 1.413 121.297 119.950 -0.110 0.000 2.522 348 F HA 0.390 4.920 4.527 0.006 0.000 0.324 348 F C 0.306 176.069 175.800 -0.062 0.000 1.077 348 F CA -0.592 57.361 58.000 -0.078 0.000 0.944 348 F CB 1.618 40.574 39.000 -0.073 0.000 1.175 348 F HN 0.385 nan 8.300 nan 0.000 0.468 349 H N 2.016 121.063 119.070 -0.037 0.000 2.786 349 H HA 0.413 4.972 4.556 0.006 0.000 0.284 349 H C 0.492 175.596 175.328 -0.374 0.000 1.104 349 H CA 0.467 56.390 56.048 -0.208 0.000 1.339 349 H CB 0.548 30.178 29.762 -0.220 0.000 1.427 349 H HN 0.851 nan 8.280 nan 0.000 0.497 350 G N 5.055 113.410 108.800 -0.741 0.000 2.543 350 G HA2 -0.398 3.565 3.960 0.006 0.000 0.286 350 G HA3 -0.398 3.565 3.960 0.006 0.000 0.286 350 G C 0.945 175.504 174.900 -0.569 0.000 1.153 350 G CA 0.402 44.742 45.100 -1.268 0.000 0.968 350 G HN 0.592 nan 8.290 nan 0.000 0.544 351 N N 1.650 120.106 118.700 -0.407 0.000 2.416 351 N HA 0.074 4.817 4.740 0.006 0.000 0.177 351 N C 0.516 176.091 175.510 0.110 0.000 1.036 351 N CA 0.834 53.843 53.050 -0.068 0.000 0.901 351 N CB 0.103 38.530 38.487 -0.100 0.000 0.976 351 N HN 0.474 nan 8.380 nan 0.000 0.444 352 E N 0.997 121.208 120.200 0.019 0.000 2.259 352 E HA 0.205 4.558 4.350 0.006 0.000 0.281 352 E C 0.050 176.658 176.600 0.015 0.000 1.037 352 E CA -0.095 56.326 56.400 0.035 0.000 0.854 352 E CB 0.652 30.339 29.700 -0.022 0.000 1.051 352 E HN 0.090 nan 8.360 nan 0.000 0.409 353 M N 4.222 123.739 119.600 -0.138 0.000 2.239 353 M HA 0.012 4.495 4.480 0.006 0.000 0.348 353 M C 0.824 176.986 176.300 -0.228 0.000 1.239 353 M CA 0.254 55.292 55.300 -0.437 0.000 1.114 353 M CB 0.508 32.880 32.600 -0.382 0.000 1.641 353 M HN 0.488 nan 8.290 nan 0.000 0.453 354 L N 2.887 123.964 121.223 -0.244 0.000 2.509 354 L HA 0.100 4.443 4.340 0.006 0.000 0.222 354 L C 0.370 177.184 176.870 -0.093 0.000 1.123 354 L CA -0.112 54.654 54.840 -0.123 0.000 0.856 354 L CB -0.127 41.865 42.059 -0.111 0.000 0.985 354 L HN 0.923 nan 8.230 nan 0.000 0.456 355 C N -3.556 115.675 119.300 -0.115 0.000 3.216 355 C HA 0.282 4.745 4.460 0.006 0.000 0.346 355 C C -0.595 174.356 174.990 -0.064 0.000 1.384 355 C CA -1.961 57.029 59.018 -0.047 0.000 1.208 355 C CB 0.932 28.690 27.740 0.029 0.000 1.483 355 C HN 0.303 nan 8.230 nan 0.000 0.453 356 K N 1.006 121.393 120.400 -0.023 0.000 2.440 356 K HA 0.448 4.771 4.320 0.006 0.000 0.270 356 K C 0.341 176.940 176.600 -0.002 0.000 0.980 356 K CA 0.928 57.201 56.287 -0.023 0.000 0.953 356 K CB 0.134 32.628 32.500 -0.011 0.000 0.925 356 K HN 1.023 nan 8.250 nan 0.000 0.497 357 T N -1.256 113.294 114.554 -0.007 0.000 2.860 357 T HA 0.352 4.706 4.350 0.006 0.000 0.299 357 T C 0.194 174.895 174.700 0.002 0.000 1.045 357 T CA -0.827 61.292 62.100 0.033 0.000 1.071 357 T CB 0.859 69.765 68.868 0.062 0.000 0.985 357 T HN 0.570 nan 8.240 nan 0.000 0.537 358 V N -0.519 119.378 119.914 -0.030 0.000 2.577 358 V HA 0.695 4.818 4.120 0.006 0.000 0.303 358 V C -0.064 175.991 176.094 -0.066 0.000 1.042 358 V CA -0.981 61.251 62.300 -0.113 0.000 0.872 358 V CB 1.447 33.085 31.823 -0.308 0.000 0.998 358 V HN 0.998 nan 8.190 nan 0.000 0.423 359 S N 2.315 117.996 115.700 -0.032 0.000 2.646 359 S HA 0.625 5.099 4.470 0.006 0.000 0.276 359 S C 0.325 174.889 174.600 -0.059 0.000 1.222 359 S CA -0.270 57.928 58.200 -0.004 0.000 1.014 359 S CB 1.741 64.976 63.200 0.058 0.000 0.991 359 S HN 1.018 nan 8.310 nan 0.000 0.533 360 S N 1.065 116.704 115.700 -0.101 0.000 2.655 360 S HA 0.398 4.872 4.470 0.006 0.000 0.265 360 S C 0.197 174.784 174.600 -0.022 0.000 1.240 360 S CA -0.736 57.371 58.200 -0.154 0.000 0.986 360 S CB 0.295 63.253 63.200 -0.403 0.000 0.985 360 S HN 0.812 nan 8.310 nan 0.000 0.562 361 S N 1.550 117.290 115.700 0.066 0.000 2.576 361 S HA 0.269 4.742 4.470 0.006 0.000 0.276 361 S C -0.357 174.371 174.600 0.213 0.000 1.339 361 S CA -0.619 57.666 58.200 0.141 0.000 1.039 361 S CB 0.228 63.533 63.200 0.175 0.000 0.902 361 S HN 0.704 nan 8.310 nan 0.000 0.516 362 E N 1.327 121.609 120.200 0.137 0.000 2.299 362 E HA 0.328 4.682 4.350 0.006 0.000 0.272 362 E C -0.925 175.737 176.600 0.102 0.000 1.043 362 E CA -0.291 56.184 56.400 0.125 0.000 0.895 362 E CB 0.844 30.592 29.700 0.081 0.000 1.011 362 E HN 0.426 nan 8.360 nan 0.000 0.432 363 V N 4.285 124.255 119.914 0.094 0.000 2.588 363 V HA 0.116 4.239 4.120 0.006 0.000 0.304 363 V C 0.084 176.145 176.094 -0.055 0.000 1.042 363 V CA -1.284 60.990 62.300 -0.044 0.000 0.877 363 V CB 1.843 33.509 31.823 -0.260 0.000 0.996 363 V HN 0.653 nan 8.190 nan 0.000 0.425 364 N N 2.296 120.958 118.700 -0.063 0.000 2.292 364 N HA -0.042 4.702 4.740 0.006 0.000 0.242 364 N C 1.266 176.737 175.510 -0.065 0.000 1.243 364 N CA 0.009 53.030 53.050 -0.048 0.000 0.851 364 N CB 1.146 39.603 38.487 -0.049 0.000 1.093 364 N HN 0.464 nan 8.380 nan 0.000 0.450 365 V N 0.663 120.558 119.914 -0.032 0.000 3.099 365 V HA -0.202 3.921 4.120 0.006 0.000 0.269 365 V C 1.255 177.317 176.094 -0.053 0.000 1.150 365 V CA 0.518 62.801 62.300 -0.029 0.000 1.165 365 V CB -0.819 31.004 31.823 0.000 0.000 0.756 365 V HN 0.692 nan 8.190 nan 0.000 0.527 366 C N 0.492 119.751 119.300 -0.069 0.000 2.494 366 C HA 0.270 4.733 4.460 0.006 0.000 0.399 366 C C 1.499 176.421 174.990 -0.112 0.000 1.388 366 C CA 0.963 59.932 59.018 -0.082 0.000 1.657 366 C CB -1.009 26.677 27.740 -0.089 0.000 2.585 366 C HN 0.845 nan 8.230 nan 0.000 0.601 367 S N 0.560 116.203 115.700 -0.095 0.000 3.833 367 S HA -0.153 4.320 4.470 0.006 0.000 0.638 367 S C 0.248 174.793 174.600 -0.091 0.000 1.967 367 S CA 0.624 58.761 58.200 -0.106 0.000 2.145 367 S CB -0.665 62.441 63.200 -0.156 0.000 0.329 367 S HN 1.244 nan 8.310 nan 0.000 1.786 368 E N 0.097 120.244 120.200 -0.089 0.000 2.513 368 E HA -0.152 4.201 4.350 0.006 0.000 0.257 368 E C -2.286 174.208 176.600 -0.177 0.000 1.098 368 E CA 1.088 57.426 56.400 -0.104 0.000 0.752 368 E CB -0.964 28.688 29.700 -0.081 0.000 1.324 368 E HN 0.378 nan 8.360 nan 0.000 0.403 369 P HA -0.005 nan 4.420 nan 0.000 0.267 369 P C -0.370 176.576 177.300 -0.590 0.000 1.200 369 P CA 0.228 63.000 63.100 -0.548 0.000 0.772 369 P CB 0.974 32.155 31.700 -0.866 0.000 0.855 370 V N 4.143 123.687 119.914 -0.617 0.000 2.340 370 V HA 0.218 4.342 4.120 0.006 0.000 0.277 370 V C 0.213 176.067 176.094 -0.401 0.000 1.017 370 V CA -0.553 61.526 62.300 -0.369 0.000 0.820 370 V CB 0.412 32.118 31.823 -0.196 0.000 1.028 370 V HN 0.575 nan 8.190 nan 0.000 0.436 371 W N 3.026 124.301 121.300 -0.042 0.000 2.213 371 W HA 0.581 5.245 4.660 0.005 0.000 0.356 371 W C 0.450 176.948 176.519 -0.035 0.000 1.273 371 W CA -0.998 56.325 57.345 -0.037 0.000 1.391 371 W CB 1.225 30.664 29.460 -0.035 0.000 1.187 371 W HN 0.361 nan 8.180 nan 0.000 0.649 372 K N 1.077 121.595 120.400 0.197 0.000 3.429 372 K HA 0.047 4.370 4.320 0.006 0.000 0.166 372 K C -0.579 176.065 176.600 0.074 0.000 1.079 372 K CA -0.112 56.236 56.287 0.102 0.000 0.750 372 K CB 0.839 33.363 32.500 0.041 0.000 0.883 372 K HN 0.437 nan 8.250 nan 0.000 0.549 373 Q N 0.036 119.891 119.800 0.093 0.000 2.377 373 Q HA 0.478 4.821 4.340 0.006 0.000 0.271 373 Q C -0.842 175.165 176.000 0.012 0.000 1.077 373 Q CA -1.216 54.615 55.803 0.047 0.000 0.820 373 Q CB 2.274 31.048 28.738 0.060 0.000 1.347 373 Q HN 0.031 nan 8.270 nan 0.000 0.444 374 R N 1.874 122.367 120.500 -0.012 0.000 2.316 374 R HA 0.333 4.677 4.340 0.006 0.000 0.314 374 R C -0.831 175.429 176.300 -0.068 0.000 1.069 374 R CA -0.021 56.059 56.100 -0.033 0.000 0.959 374 R CB 0.435 30.712 30.300 -0.039 0.000 0.987 374 R HN 0.609 nan 8.270 nan 0.000 0.446 375 L N 3.959 125.129 121.223 -0.089 0.000 2.265 375 L HA 0.365 4.708 4.340 0.006 0.000 0.289 375 L C -0.004 176.690 176.870 -0.293 0.000 1.033 375 L CA -0.310 54.405 54.840 -0.209 0.000 0.814 375 L CB 1.540 43.472 42.059 -0.212 0.000 1.203 375 L HN 0.625 nan 8.230 nan 0.000 0.423 376 E N 3.104 123.114 120.200 -0.318 0.000 2.171 376 E HA 0.454 4.808 4.350 0.006 0.000 0.271 376 E C -1.419 175.002 176.600 -0.299 0.000 0.916 376 E CA -0.700 55.572 56.400 -0.214 0.000 0.774 376 E CB 1.400 31.045 29.700 -0.091 0.000 1.128 376 E HN 0.261 nan 8.360 nan 0.000 0.403 377 F N 1.950 121.936 119.950 0.060 0.000 2.399 377 F HA 0.140 4.670 4.527 0.006 0.000 0.334 377 F C 0.829 176.668 175.800 0.066 0.000 1.097 377 F CA -0.783 57.274 58.000 0.094 0.000 1.076 377 F CB 1.023 40.152 39.000 0.215 0.000 1.162 377 F HN 0.411 nan 8.300 nan 0.000 0.495 378 D N 3.835 124.350 120.400 0.192 0.000 2.801 378 D HA 0.233 4.877 4.640 0.006 0.000 0.232 378 D C -0.812 175.554 176.300 0.110 0.000 1.128 378 D CA 0.453 54.517 54.000 0.106 0.000 1.003 378 D CB -0.476 40.356 40.800 0.052 0.000 1.110 378 D HN 0.451 nan 8.370 nan 0.000 0.477 379 I N -0.031 120.626 120.570 0.145 0.000 2.743 379 I HA 0.178 4.351 4.170 0.006 0.000 0.292 379 I C -0.829 175.362 176.117 0.123 0.000 1.343 379 I CA -0.602 60.761 61.300 0.105 0.000 1.038 379 I CB 1.778 39.818 38.000 0.066 0.000 1.311 379 I HN -0.046 nan 8.210 nan 0.000 0.426 380 S N 3.874 119.622 115.700 0.080 0.000 2.572 380 S HA 0.189 4.663 4.470 0.006 0.000 0.279 380 S C 1.029 175.672 174.600 0.072 0.000 1.341 380 S CA -0.316 57.923 58.200 0.065 0.000 1.043 380 S CB 1.460 64.678 63.200 0.029 0.000 0.887 380 S HN 0.484 nan 8.310 nan 0.000 0.516 381 V N 3.771 123.730 119.914 0.075 0.000 2.626 381 V HA -0.156 3.968 4.120 0.006 0.000 0.252 381 V C 2.435 178.552 176.094 0.039 0.000 1.067 381 V CA 1.914 64.270 62.300 0.094 0.000 1.081 381 V CB -1.116 30.770 31.823 0.105 0.000 0.686 381 V HN 1.104 nan 8.190 nan 0.000 0.468 382 C N -1.263 118.009 119.300 -0.046 0.000 2.522 382 C HA 0.053 4.516 4.460 0.006 0.000 0.271 382 C C 1.562 176.448 174.990 -0.174 0.000 1.425 382 C CA 0.167 59.089 59.018 -0.161 0.000 1.751 382 C CB -1.183 26.365 27.740 -0.321 0.000 1.775 382 C HN 0.491 nan 8.230 nan 0.000 0.557 383 D N 0.695 121.090 120.400 -0.007 0.000 2.369 383 D HA 0.263 4.906 4.640 0.006 0.000 0.211 383 D C 0.372 176.753 176.300 0.135 0.000 1.077 383 D CA 0.009 54.075 54.000 0.109 0.000 0.842 383 D CB -0.022 40.855 40.800 0.129 0.000 0.947 383 D HN 0.512 nan 8.370 nan 0.000 0.509 384 L N 3.074 124.384 121.223 0.145 0.000 2.477 384 L HA 0.208 4.552 4.340 0.006 0.000 0.272 384 L C -1.855 175.235 176.870 0.368 0.000 1.157 384 L CA -1.311 53.633 54.840 0.174 0.000 0.889 384 L CB 0.223 42.355 42.059 0.122 0.000 1.158 384 L HN -0.128 nan 8.230 nan 0.000 0.473 385 P HA 0.103 nan 4.420 nan 0.000 0.276 385 P C 0.107 177.479 177.300 0.119 0.000 1.244 385 P CA -0.698 62.538 63.100 0.227 0.000 0.801 385 P CB 0.919 32.596 31.700 -0.038 0.000 1.006 386 R N 1.789 122.023 120.500 -0.444 0.000 2.139 386 R HA -0.084 4.260 4.340 0.006 0.000 0.243 386 R C 1.453 177.626 176.300 -0.211 0.000 1.145 386 R CA 1.962 57.477 56.100 -0.975 0.000 0.976 386 R CB -0.746 28.631 30.300 -1.538 0.000 0.866 386 R HN 0.380 nan 8.270 nan 0.000 0.449 387 M N 0.143 119.745 119.600 0.003 0.000 2.560 387 M HA 0.359 4.842 4.480 0.006 0.000 0.297 387 M C -0.154 176.222 176.300 0.126 0.000 1.201 387 M CA -0.409 54.930 55.300 0.066 0.000 0.973 387 M CB -0.096 32.465 32.600 -0.065 0.000 1.401 387 M HN 0.096 nan 8.290 nan 0.000 0.497 388 A N 2.492 125.431 122.820 0.198 0.000 2.524 388 A HA 0.341 4.664 4.320 0.006 0.000 0.250 388 A C 0.524 178.136 177.584 0.046 0.000 1.078 388 A CA -0.077 52.029 52.037 0.116 0.000 0.761 388 A CB 0.038 19.067 19.000 0.049 0.000 1.012 388 A HN 0.648 nan 8.150 nan 0.000 0.500 389 R N 1.963 122.475 120.500 0.020 0.000 2.637 389 R HA 0.727 5.070 4.340 0.006 0.000 0.291 389 R C -1.274 175.018 176.300 -0.013 0.000 0.963 389 R CA -0.882 55.228 56.100 0.017 0.000 0.901 389 R CB 1.220 31.548 30.300 0.046 0.000 1.160 389 R HN 0.461 nan 8.270 nan 0.000 0.457 390 L N 2.923 124.118 121.223 -0.048 0.000 2.280 390 L HA 0.454 4.797 4.340 0.006 0.000 0.287 390 L C -1.391 175.402 176.870 -0.127 0.000 1.023 390 L CA -0.457 54.292 54.840 -0.151 0.000 0.819 390 L CB 1.229 43.183 42.059 -0.175 0.000 1.212 390 L HN 0.838 nan 8.230 nan 0.000 0.420 391 C N 5.232 124.448 119.300 -0.141 0.000 2.345 391 C HA 0.636 5.099 4.460 0.006 0.000 0.323 391 C C -0.354 174.550 174.990 -0.143 0.000 1.276 391 C CA -0.808 58.197 59.018 -0.022 0.000 1.543 391 C CB 0.179 27.963 27.740 0.073 0.000 2.211 391 C HN 0.672 nan 8.230 nan 0.000 0.493 392 F N 1.651 121.741 119.950 0.234 0.000 2.492 392 F HA 0.695 5.226 4.527 0.005 0.000 0.327 392 F C 0.465 176.414 175.800 0.249 0.000 1.079 392 F CA -0.422 57.700 58.000 0.204 0.000 0.967 392 F CB 1.355 40.436 39.000 0.135 0.000 1.169 392 F HN 0.669 nan 8.300 nan 0.000 0.472 393 A N 3.146 126.222 122.820 0.427 0.000 2.353 393 A HA 0.699 5.022 4.320 0.006 0.000 0.299 393 A C -1.845 175.939 177.584 0.333 0.000 1.089 393 A CA -0.613 51.673 52.037 0.415 0.000 0.736 393 A CB 1.168 20.418 19.000 0.416 0.000 1.195 393 A HN 0.713 nan 8.150 nan 0.000 0.447 394 L N 4.149 125.524 121.223 0.254 0.000 2.264 394 L HA 0.782 5.125 4.340 0.006 0.000 0.289 394 L C -0.806 176.188 176.870 0.206 0.000 1.044 394 L CA -0.062 54.837 54.840 0.100 0.000 0.807 394 L CB 0.178 42.292 42.059 0.091 0.000 1.192 394 L HN 0.709 nan 8.230 nan 0.000 0.425 395 Y N 3.079 123.456 120.300 0.128 0.000 2.715 395 Y HA 0.944 5.497 4.550 0.005 0.000 0.331 395 Y C -0.892 175.076 175.900 0.112 0.000 1.197 395 Y CA -1.158 57.010 58.100 0.114 0.000 1.079 395 Y CB 0.897 39.418 38.460 0.101 0.000 1.298 395 Y HN 0.657 nan 8.280 nan 0.000 0.477 396 A N 0.852 123.867 122.820 0.325 0.000 2.374 396 A HA 0.837 5.161 4.320 0.006 0.000 0.317 396 A C -1.649 176.078 177.584 0.237 0.000 1.094 396 A CA -0.807 51.355 52.037 0.209 0.000 0.765 396 A CB 1.707 20.791 19.000 0.139 0.000 1.268 396 A HN 1.163 nan 8.150 nan 0.000 0.438 397 V N 2.438 122.458 119.914 0.177 0.000 3.087 397 V HA 0.570 4.693 4.120 0.006 0.000 0.306 397 V C -0.156 175.996 176.094 0.097 0.000 1.187 397 V CA -0.492 61.898 62.300 0.149 0.000 0.999 397 V CB 2.353 34.288 31.823 0.187 0.000 1.049 397 V HN 1.027 nan 8.190 nan 0.000 0.431 416 C N 2.248 121.603 119.300 0.092 0.000 2.386 416 C HA 0.607 5.070 4.460 0.006 0.000 0.318 416 C C -2.620 172.461 174.990 0.153 0.000 1.128 416 C CA -1.610 57.468 59.018 0.102 0.000 1.438 416 C CB -0.113 27.687 27.740 0.098 0.000 1.987 416 C HN 0.270 nan 8.230 nan 0.000 0.426 417 P HA 0.376 nan 4.420 nan 0.000 0.275 417 P C 0.196 177.608 177.300 0.186 0.000 1.227 417 P CA 0.056 63.266 63.100 0.184 0.000 0.781 417 P CB 0.935 32.713 31.700 0.130 0.000 0.906 418 I N 0.725 121.427 120.570 0.219 0.000 3.345 418 I HA 0.366 4.539 4.170 0.006 0.000 0.258 418 I C 0.840 177.061 176.117 0.173 0.000 1.134 418 I CA 0.446 61.847 61.300 0.168 0.000 1.457 418 I CB 0.151 38.237 38.000 0.143 0.000 1.425 418 I HN 0.352 nan 8.210 nan 0.000 0.461 419 A N 0.018 122.964 122.820 0.210 0.000 2.599 419 A HA 0.624 4.948 4.320 0.006 0.000 0.290 419 A C -2.175 175.600 177.584 0.319 0.000 1.101 419 A CA -0.554 51.596 52.037 0.188 0.000 0.674 419 A CB 1.021 20.054 19.000 0.054 0.000 1.277 419 A HN 0.319 nan 8.150 nan 0.000 0.419 420 W N -1.056 120.361 121.300 0.194 0.000 3.062 420 W HA 0.849 5.513 4.660 0.005 0.000 0.336 420 W C -0.800 175.884 176.519 0.275 0.000 1.224 420 W CA -0.744 56.729 57.345 0.214 0.000 1.159 420 W CB 1.402 30.960 29.460 0.163 0.000 1.454 420 W HN 1.744 nan 8.180 nan 0.000 0.569 421 A N 2.531 125.694 122.820 0.572 0.000 2.555 421 A HA 0.549 4.873 4.320 0.006 0.000 0.297 421 A C -1.669 176.258 177.584 0.573 0.000 1.060 421 A CA -0.769 51.526 52.037 0.431 0.000 0.710 421 A CB 1.358 20.472 19.000 0.190 0.000 1.282 421 A HN 0.569 nan 8.150 nan 0.000 0.399 422 N N 0.765 119.765 118.700 0.500 0.000 2.292 422 N HA 0.816 5.559 4.740 0.006 0.000 0.303 422 N C -1.121 174.550 175.510 0.269 0.000 1.140 422 N CA -0.471 52.792 53.050 0.354 0.000 0.788 422 N CB 2.090 40.737 38.487 0.267 0.000 1.361 422 N HN 0.756 nan 8.380 nan 0.000 0.489 423 L N -1.644 119.705 121.223 0.209 0.000 2.465 423 L HA 0.627 4.970 4.340 0.006 0.000 0.257 423 L C -0.559 176.369 176.870 0.096 0.000 0.988 423 L CA -0.989 53.942 54.840 0.152 0.000 0.827 423 L CB 0.426 42.588 42.059 0.173 0.000 1.397 423 L HN 0.254 nan 8.230 nan 0.000 0.410 424 M N 2.459 122.107 119.600 0.080 0.000 2.228 424 M HA 0.279 4.763 4.480 0.006 0.000 0.351 424 M C 1.244 177.610 176.300 0.110 0.000 1.233 424 M CA 0.042 55.400 55.300 0.096 0.000 1.129 424 M CB 0.800 33.477 32.600 0.130 0.000 1.604 424 M HN 0.761 nan 8.290 nan 0.000 0.457 425 L N 1.619 122.870 121.223 0.046 0.000 2.240 425 L HA 0.030 4.373 4.340 0.006 0.000 0.211 425 L C 0.272 177.017 176.870 -0.208 0.000 1.106 425 L CA 0.814 55.582 54.840 -0.121 0.000 0.793 425 L CB -0.097 41.757 42.059 -0.341 0.000 0.927 425 L HN 0.455 nan 8.230 nan 0.000 0.446 426 F N 0.141 120.166 119.950 0.125 0.000 2.432 426 F HA 0.207 4.737 4.527 0.005 0.000 0.329 426 F C 0.633 176.564 175.800 0.217 0.000 1.076 426 F CA -1.489 56.597 58.000 0.143 0.000 1.018 426 F CB 0.760 39.840 39.000 0.134 0.000 1.201 426 F HN -0.043 nan 8.300 nan 0.000 0.489 427 D N 0.434 121.033 120.400 0.333 0.000 2.506 427 D HA 0.008 4.651 4.640 0.006 0.000 0.272 427 D C 0.702 177.027 176.300 0.041 0.000 1.214 427 D CA -0.485 53.694 54.000 0.299 0.000 1.067 427 D CB -0.090 40.848 40.800 0.231 0.000 1.117 427 D HN 0.621 nan 8.370 nan 0.000 0.578 428 Y N -1.490 118.703 120.300 -0.179 0.000 2.639 428 Y HA 0.170 4.724 4.550 0.006 0.000 0.297 428 Y C 1.032 176.772 175.900 -0.266 0.000 1.151 428 Y CA 0.623 58.403 58.100 -0.533 0.000 1.335 428 Y CB -0.307 38.036 38.460 -0.194 0.000 0.994 428 Y HN 0.194 nan 8.280 nan 0.000 0.548 429 K N 0.647 120.730 120.400 -0.528 0.000 2.498 429 K HA 0.073 4.396 4.320 0.006 0.000 0.207 429 K C -0.443 176.165 176.600 0.012 0.000 1.033 429 K CA 0.503 56.583 56.287 -0.345 0.000 1.138 429 K CB 0.226 32.489 32.500 -0.395 0.000 0.860 429 K HN 0.195 nan 8.250 nan 0.000 0.490 430 D N 0.127 120.536 120.400 0.016 0.000 3.028 430 D HA -0.217 4.426 4.640 0.006 0.000 0.207 430 D C -0.009 176.518 176.300 0.378 0.000 1.100 430 D CA 0.998 55.092 54.000 0.156 0.000 0.995 430 D CB -0.772 40.106 40.800 0.130 0.000 1.108 430 D HN 0.374 nan 8.370 nan 0.000 0.421 431 Q N 0.235 120.190 119.800 0.257 0.000 2.288 431 Q HA 0.346 4.690 4.340 0.006 0.000 0.254 431 Q C -0.081 176.021 176.000 0.170 0.000 0.932 431 Q CA -0.706 55.089 55.803 -0.014 0.000 0.902 431 Q CB 1.058 29.579 28.738 -0.362 0.000 1.203 431 Q HN 0.216 nan 8.270 nan 0.000 0.415 432 L N 4.186 125.467 121.223 0.096 0.000 2.499 432 L HA 0.053 4.396 4.340 0.006 0.000 0.273 432 L C -0.347 176.431 176.870 -0.154 0.000 1.195 432 L CA 0.807 55.508 54.840 -0.232 0.000 0.882 432 L CB 0.372 42.277 42.059 -0.257 0.000 1.133 432 L HN 0.462 nan 8.230 nan 0.000 0.483 433 K N 3.254 123.562 120.400 -0.154 0.000 2.350 433 K HA 0.437 4.760 4.320 0.006 0.000 0.279 433 K C -0.171 176.377 176.600 -0.087 0.000 1.027 433 K CA 0.067 56.310 56.287 -0.073 0.000 0.969 433 K CB 0.604 33.089 32.500 -0.024 0.000 0.954 433 K HN 0.836 nan 8.250 nan 0.000 0.474 434 T N -1.634 112.857 114.554 -0.105 0.000 2.821 434 T HA 0.488 4.841 4.350 0.006 0.000 0.306 434 T C 0.464 175.041 174.700 -0.205 0.000 1.313 434 T CA -0.743 61.246 62.100 -0.185 0.000 1.012 434 T CB 1.820 70.602 68.868 -0.143 0.000 1.298 434 T HN 0.490 nan 8.240 nan 0.000 0.502 435 G N -0.176 108.404 108.800 -0.366 0.000 2.710 435 G HA2 0.315 4.279 3.960 0.006 0.000 0.215 435 G HA3 0.315 4.279 3.960 0.006 0.000 0.215 435 G C 0.134 174.473 174.900 -0.936 0.000 1.345 435 G CA -0.166 44.368 45.100 -0.943 0.000 0.812 435 G HN 0.923 nan 8.290 nan 0.000 0.606 436 E N 0.449 120.282 120.200 -0.613 0.000 2.366 436 E HA 0.524 4.877 4.350 0.006 0.000 0.266 436 E C -0.664 175.884 176.600 -0.087 0.000 1.051 436 E CA -0.191 56.114 56.400 -0.157 0.000 0.884 436 E CB 0.746 30.519 29.700 0.122 0.000 1.006 436 E HN 0.078 nan 8.360 nan 0.000 0.417 437 R N 1.661 122.136 120.500 -0.043 0.000 2.698 437 R HA 0.351 4.694 4.340 0.006 0.000 0.275 437 R C -1.633 174.628 176.300 -0.065 0.000 1.001 437 R CA -0.526 55.553 56.100 -0.034 0.000 0.896 437 R CB 1.908 32.198 30.300 -0.016 0.000 1.218 437 R HN 0.528 nan 8.270 nan 0.000 0.462 438 C N 4.807 124.057 119.300 -0.083 0.000 2.281 438 C HA 0.569 5.032 4.460 0.006 0.000 0.323 438 C C -0.811 173.999 174.990 -0.301 0.000 1.270 438 C CA -0.582 58.307 59.018 -0.215 0.000 1.559 438 C CB -0.580 27.031 27.740 -0.214 0.000 2.239 438 C HN 0.673 nan 8.230 nan 0.000 0.488 439 L N 7.212 128.214 121.223 -0.368 0.000 2.283 439 L HA 0.362 4.706 4.340 0.006 0.000 0.281 439 L C -0.846 175.768 176.870 -0.426 0.000 1.033 439 L CA -0.403 54.267 54.840 -0.285 0.000 0.848 439 L CB 0.365 42.304 42.059 -0.201 0.000 1.226 439 L HN 0.644 nan 8.230 nan 0.000 0.429 440 Y N 3.709 123.889 120.300 -0.199 0.000 2.531 440 Y HA 0.241 4.795 4.550 0.007 0.000 0.347 440 Y C 0.711 176.329 175.900 -0.471 0.000 1.024 440 Y CA -0.123 57.795 58.100 -0.302 0.000 1.306 440 Y CB 0.272 38.538 38.460 -0.322 0.000 1.149 440 Y HN 0.473 nan 8.280 nan 0.000 0.527 441 M N 2.621 122.027 119.600 -0.323 0.000 2.291 441 M HA 0.255 4.738 4.480 0.006 0.000 0.324 441 M C -0.930 175.028 176.300 -0.570 0.000 1.148 441 M CA -0.407 54.659 55.300 -0.390 0.000 1.104 441 M CB 1.041 33.523 32.600 -0.196 0.000 1.483 441 M HN 0.571 nan 8.290 nan 0.000 0.467 442 W N 1.830 122.742 121.300 -0.647 0.000 2.417 442 W HA 0.421 5.083 4.660 0.005 0.000 0.317 442 W C -2.147 174.114 176.519 -0.429 0.000 1.121 442 W CA -1.566 55.371 57.345 -0.679 0.000 1.208 442 W CB 0.233 28.917 29.460 -1.294 0.000 1.253 442 W HN 0.292 nan 8.180 nan 0.000 0.533 443 P HA 0.142 nan 4.420 nan 0.000 0.275 443 P C -0.283 177.161 177.300 0.239 0.000 1.228 443 P CA -0.185 62.984 63.100 0.115 0.000 0.786 443 P CB 0.970 32.727 31.700 0.095 0.000 0.927 444 S N 0.817 116.661 115.700 0.239 0.000 2.632 444 S HA 0.231 4.704 4.470 0.006 0.000 0.271 444 S C 0.516 175.228 174.600 0.186 0.000 1.260 444 S CA -0.616 57.756 58.200 0.288 0.000 1.010 444 S CB 0.522 63.878 63.200 0.261 0.000 0.965 444 S HN 0.460 nan 8.310 nan 0.000 0.534 453 L N 1.980 123.197 121.223 -0.009 0.000 2.426 453 L HA 0.591 4.934 4.340 0.006 0.000 0.271 453 L C 0.633 177.355 176.870 -0.247 0.000 1.169 453 L CA 0.562 55.379 54.840 -0.040 0.000 0.836 453 L CB 0.949 43.045 42.059 0.061 0.000 1.112 453 L HN 0.563 nan 8.230 nan 0.000 0.465 454 N N 4.073 122.555 118.700 -0.365 0.000 2.813 454 N HA 0.323 5.066 4.740 0.006 0.000 0.282 454 N C -2.019 173.127 175.510 -0.606 0.000 1.748 454 N CA -1.545 51.145 53.050 -0.600 0.000 0.860 454 N CB 0.879 38.745 38.487 -1.035 0.000 1.204 454 N HN 0.236 nan 8.380 nan 0.000 0.490 455 P HA -0.090 nan 4.420 nan 0.000 0.219 455 P C 0.717 177.797 177.300 -0.367 0.000 1.146 455 P CA 0.804 63.565 63.100 -0.565 0.000 0.808 455 P CB 0.306 31.464 31.700 -0.903 0.000 0.779 456 A N -0.147 122.328 122.820 -0.575 0.000 2.218 456 A HA 0.323 4.646 4.320 0.006 0.000 0.209 456 A C 1.459 178.659 177.584 -0.640 0.000 1.168 456 A CA 0.327 51.779 52.037 -0.976 0.000 0.804 456 A CB -1.083 17.322 19.000 -0.992 0.000 0.834 456 A HN 0.284 nan 8.150 nan 0.000 0.482 457 G N -0.626 107.814 108.800 -0.599 0.000 2.544 457 G HA2 0.358 4.322 3.960 0.006 0.000 0.242 457 G HA3 0.358 4.322 3.960 0.006 0.000 0.242 457 G C 0.315 175.121 174.900 -0.158 0.000 1.247 457 G CA 0.451 45.213 45.100 -0.564 0.000 0.840 457 G HN 0.184 nan 8.290 nan 0.000 0.578 458 T N -1.050 113.484 114.554 -0.033 0.000 2.939 458 T HA 0.063 4.417 4.350 0.006 0.000 0.319 458 T C 1.456 176.245 174.700 0.148 0.000 1.082 458 T CA 0.548 62.642 62.100 -0.011 0.000 1.133 458 T CB 0.454 69.248 68.868 -0.123 0.000 1.019 458 T HN 1.060 nan 8.240 nan 0.000 0.548 459 V N 2.516 122.480 119.914 0.084 0.000 3.342 459 V HA 0.487 4.610 4.120 0.006 0.000 0.322 459 V C 0.602 176.777 176.094 0.135 0.000 1.370 459 V CA -0.351 62.019 62.300 0.116 0.000 1.170 459 V CB -0.788 31.046 31.823 0.020 0.000 1.101 459 V HN 0.699 nan 8.190 nan 0.000 0.442 460 R N 0.657 121.264 120.500 0.178 0.000 2.664 460 R HA 0.688 5.031 4.340 0.006 0.000 0.286 460 R C 0.681 177.174 176.300 0.323 0.000 0.967 460 R CA -0.010 56.203 56.100 0.189 0.000 0.933 460 R CB 1.633 32.013 30.300 0.134 0.000 1.146 460 R HN 0.459 nan 8.270 nan 0.000 0.468 461 G N 1.909 110.817 108.800 0.181 0.000 2.594 461 G HA2 -0.077 3.886 3.960 0.006 0.000 0.243 461 G HA3 -0.077 3.886 3.960 0.006 0.000 0.243 461 G C -0.380 174.385 174.900 -0.225 0.000 1.229 461 G CA -0.463 44.659 45.100 0.037 0.000 0.843 461 G HN 0.656 nan 8.290 nan 0.000 0.578 462 N N 1.455 119.597 118.700 -0.931 0.000 2.440 462 N HA 0.057 4.801 4.740 0.006 0.000 0.265 462 N C -0.846 174.271 175.510 -0.655 0.000 1.239 462 N CA -1.749 50.411 53.050 -1.483 0.000 0.909 462 N CB 1.467 39.051 38.487 -1.505 0.000 1.066 462 N HN 0.139 nan 8.380 nan 0.000 0.474 463 P HA -0.076 nan 4.420 nan 0.000 0.230 463 P C 0.026 177.150 177.300 -0.293 0.000 1.158 463 P CA 0.515 63.448 63.100 -0.278 0.000 0.769 463 P CB 0.229 31.852 31.700 -0.129 0.000 0.807 464 N N 1.200 119.714 118.700 -0.311 0.000 3.050 464 N HA 0.005 4.749 4.740 0.006 0.000 0.289 464 N C 1.033 176.378 175.510 -0.275 0.000 1.209 464 N CA 0.238 53.145 53.050 -0.238 0.000 1.154 464 N CB -0.353 38.028 38.487 -0.176 0.000 1.444 464 N HN 0.042 nan 8.380 nan 0.000 0.529 465 T N -1.497 112.833 114.554 -0.374 0.000 2.915 465 T HA -0.138 4.215 4.350 0.006 0.000 0.269 465 T C 1.392 175.991 174.700 -0.170 0.000 1.071 465 T CA 0.904 62.718 62.100 -0.476 0.000 1.132 465 T CB -0.067 68.319 68.868 -0.804 0.000 0.878 465 T HN 0.514 nan 8.240 nan 0.000 0.479 466 E N 1.123 121.242 120.200 -0.134 0.000 2.118 466 E HA -0.132 4.221 4.350 0.006 0.000 0.195 466 E C 1.580 178.156 176.600 -0.041 0.000 0.992 466 E CA 1.429 57.789 56.400 -0.068 0.000 0.804 466 E CB -0.047 29.615 29.700 -0.064 0.000 0.741 466 E HN 0.578 nan 8.360 nan 0.000 0.458 467 S N -0.868 114.799 115.700 -0.054 0.000 2.604 467 S HA 0.348 4.821 4.470 0.006 0.000 0.235 467 S C 0.067 174.643 174.600 -0.039 0.000 1.043 467 S CA 0.002 58.180 58.200 -0.038 0.000 0.997 467 S CB 1.288 64.465 63.200 -0.039 0.000 0.956 467 S HN 0.379 nan 8.310 nan 0.000 0.535 468 A N 2.048 124.836 122.820 -0.053 0.000 2.440 468 A HA 0.737 5.060 4.320 0.006 0.000 0.251 468 A C 0.590 178.159 177.584 -0.024 0.000 1.089 468 A CA -0.245 51.750 52.037 -0.070 0.000 0.779 468 A CB -0.036 18.877 19.000 -0.145 0.000 1.022 468 A HN 0.482 nan 8.150 nan 0.000 0.492 469 A N 1.298 124.087 122.820 -0.052 0.000 2.520 469 A HA 0.512 4.836 4.320 0.006 0.000 0.235 469 A C 0.582 178.103 177.584 -0.106 0.000 1.065 469 A CA 0.582 52.587 52.037 -0.052 0.000 0.764 469 A CB -0.094 18.887 19.000 -0.032 0.000 1.002 469 A HN 2.345 nan 8.150 nan 0.000 0.502 470 A N 1.888 124.626 122.820 -0.136 0.000 2.422 470 A HA 0.659 4.982 4.320 0.006 0.000 0.302 470 A C -0.772 176.683 177.584 -0.215 0.000 1.041 470 A CA -0.431 51.436 52.037 -0.284 0.000 0.708 470 A CB 0.991 19.728 19.000 -0.439 0.000 1.257 470 A HN 0.805 nan 8.150 nan 0.000 0.414 471 L N 2.619 123.682 121.223 -0.267 0.000 2.329 471 L HA 0.641 4.985 4.340 0.006 0.000 0.279 471 L C -0.408 176.316 176.870 -0.242 0.000 1.014 471 L CA -1.099 53.607 54.840 -0.224 0.000 0.814 471 L CB 2.005 43.864 42.059 -0.333 0.000 1.257 471 L HN 0.643 nan 8.230 nan 0.000 0.424 472 V N 2.279 122.105 119.914 -0.146 0.000 2.370 472 V HA 0.622 4.745 4.120 0.006 0.000 0.283 472 V C -0.173 175.877 176.094 -0.075 0.000 1.023 472 V CA -0.602 61.635 62.300 -0.106 0.000 0.857 472 V CB 1.111 32.906 31.823 -0.047 0.000 0.985 472 V HN 0.664 nan 8.190 nan 0.000 0.443 473 I N 2.183 122.711 120.570 -0.071 0.000 2.910 473 I HA 0.753 4.927 4.170 0.006 0.000 0.310 473 I C -1.224 174.952 176.117 0.097 0.000 1.043 473 I CA -1.240 60.059 61.300 -0.002 0.000 1.053 473 I CB 2.297 40.280 38.000 -0.028 0.000 1.242 473 I HN 0.647 nan 8.210 nan 0.000 0.452 474 Y N 3.504 123.807 120.300 0.005 0.000 2.350 474 Y HA 0.600 5.153 4.550 0.006 0.000 0.338 474 Y C -1.338 174.568 175.900 0.009 0.000 0.961 474 Y CA -0.976 57.127 58.100 0.006 0.000 1.100 474 Y CB 1.626 40.084 38.460 -0.004 0.000 1.179 474 Y HN 0.447 nan 8.280 nan 0.000 0.454 475 L N 8.967 130.035 121.223 -0.258 0.000 2.260 475 L HA 0.425 4.769 4.340 0.006 0.000 0.289 475 L C -2.331 174.441 176.870 -0.164 0.000 1.057 475 L CA -2.861 51.890 54.840 -0.148 0.000 0.811 475 L CB 0.409 42.401 42.059 -0.112 0.000 1.184 475 L HN 0.534 nan 8.230 nan 0.000 0.429 476 P HA 0.145 nan 4.420 nan 0.000 0.279 476 P C -0.688 176.647 177.300 0.059 0.000 1.239 476 P CA -0.572 62.626 63.100 0.164 0.000 0.789 476 P CB 0.381 32.131 31.700 0.084 0.000 0.933 477 E N 1.935 122.196 120.200 0.102 0.000 2.081 477 E HA 0.065 4.418 4.350 0.006 0.000 0.270 477 E C 0.701 177.317 176.600 0.027 0.000 1.180 477 E CA -0.372 56.053 56.400 0.042 0.000 0.926 477 E CB 0.170 29.905 29.700 0.058 0.000 1.035 477 E HN 0.283 nan 8.360 nan 0.000 0.418 478 V N -0.053 119.866 119.914 0.009 0.000 3.623 478 V HA 0.350 4.473 4.120 0.006 0.000 0.271 478 V C 0.639 176.734 176.094 0.002 0.000 1.248 478 V CA 0.647 62.950 62.300 0.005 0.000 1.156 478 V CB -0.639 31.189 31.823 0.007 0.000 0.870 478 V HN 0.654 nan 8.190 nan 0.000 0.453 483 V N -0.341 119.496 119.914 -0.128 0.000 2.540 483 V HA 0.760 4.884 4.120 0.006 0.000 0.302 483 V C -0.974 175.083 176.094 -0.062 0.000 1.035 483 V CA -0.630 61.662 62.300 -0.013 0.000 0.873 483 V CB 1.541 33.407 31.823 0.072 0.000 0.992 483 V HN 0.462 nan 8.190 nan 0.000 0.428 484 Y N 3.298 123.697 120.300 0.164 0.000 2.419 484 Y HA 0.594 5.147 4.550 0.005 0.000 0.328 484 Y C 0.148 176.154 175.900 0.176 0.000 1.162 484 Y CA -0.900 57.315 58.100 0.192 0.000 1.174 484 Y CB 1.588 40.112 38.460 0.108 0.000 1.228 484 Y HN 0.768 nan 8.280 nan 0.000 0.473 485 F N 3.737 123.766 119.950 0.131 0.000 2.563 485 F HA 0.192 4.722 4.527 0.006 0.000 0.363 485 F C -1.893 173.936 175.800 0.047 0.000 1.123 485 F CA -1.543 56.411 58.000 -0.076 0.000 1.307 485 F CB 0.324 39.078 39.000 -0.411 0.000 1.115 485 F HN 0.295 nan 8.300 nan 0.000 0.592 486 P HA 0.156 nan 4.420 nan 0.000 0.268 486 P C -1.138 176.239 177.300 0.129 0.000 1.205 486 P CA -0.185 62.877 63.100 -0.063 0.000 0.771 486 P CB 0.566 32.155 31.700 -0.186 0.000 0.858 487 A N 2.419 125.300 122.820 0.101 0.000 2.425 487 A HA 0.056 4.380 4.320 0.006 0.000 0.242 487 A C 1.387 179.048 177.584 0.128 0.000 1.077 487 A CA -0.292 51.820 52.037 0.124 0.000 0.781 487 A CB -0.322 18.717 19.000 0.066 0.000 1.020 487 A HN 0.643 nan 8.150 nan 0.000 0.494 488 L N 1.030 122.343 121.223 0.150 0.000 2.021 488 L HA -0.255 4.088 4.340 0.006 0.000 0.215 488 L C 2.550 179.442 176.870 0.037 0.000 1.074 488 L CA 2.965 57.852 54.840 0.079 0.000 0.760 488 L CB -0.839 41.259 42.059 0.066 0.000 0.889 488 L HN 0.971 nan 8.230 nan 0.000 0.433 489 E N -1.561 118.662 120.200 0.039 0.000 2.118 489 E HA -0.245 4.109 4.350 0.006 0.000 0.195 489 E C 1.934 178.537 176.600 0.004 0.000 0.992 489 E CA 1.212 57.625 56.400 0.021 0.000 0.804 489 E CB -0.328 29.382 29.700 0.017 0.000 0.741 489 E HN 0.386 nan 8.360 nan 0.000 0.458 490 K N 0.379 120.781 120.400 0.004 0.000 2.103 490 K HA -0.033 4.290 4.320 0.006 0.000 0.204 490 K C 2.182 178.771 176.600 -0.019 0.000 1.052 490 K CA 0.707 56.979 56.287 -0.025 0.000 0.945 490 K CB -0.088 32.394 32.500 -0.030 0.000 0.722 490 K HN 0.272 nan 8.250 nan 0.000 0.443 491 I N 1.567 122.150 120.570 0.021 0.000 2.179 491 I HA -0.251 3.923 4.170 0.006 0.000 0.242 491 I C 2.441 178.570 176.117 0.021 0.000 1.088 491 I CA 1.198 62.522 61.300 0.039 0.000 1.357 491 I CB -1.215 36.833 38.000 0.080 0.000 1.051 491 I HN 0.068 nan 8.210 nan 0.000 0.409 492 L N 0.348 121.588 121.223 0.029 0.000 2.012 492 L HA -0.234 4.109 4.340 0.006 0.000 0.210 492 L C 2.558 179.408 176.870 -0.033 0.000 1.073 492 L CA 1.458 56.339 54.840 0.069 0.000 0.748 492 L CB -0.701 41.420 42.059 0.104 0.000 0.891 492 L HN 0.263 nan 8.230 nan 0.000 0.431 493 E N -0.105 120.066 120.200 -0.050 0.000 2.055 493 E HA -0.258 4.095 4.350 0.006 0.000 0.209 493 E C 1.043 177.563 176.600 -0.134 0.000 1.036 493 E CA 1.342 57.685 56.400 -0.095 0.000 0.849 493 E CB -0.219 29.426 29.700 -0.092 0.000 0.767 493 E HN 0.117 nan 8.360 nan 0.000 0.461 511 L N -0.487 120.743 121.223 0.011 0.000 2.645 511 L HA 0.445 4.789 4.340 0.006 0.000 0.235 511 L C 1.505 178.362 176.870 -0.021 0.000 1.150 511 L CA 0.423 55.267 54.840 0.007 0.000 0.911 511 L CB -0.011 42.063 42.059 0.026 0.000 1.077 511 L HN 0.383 nan 8.230 nan 0.000 0.438 512 R N 0.945 121.412 120.500 -0.055 0.000 2.066 512 R HA -0.118 4.226 4.340 0.006 0.000 0.232 512 R C 1.976 178.164 176.300 -0.188 0.000 1.131 512 R CA 2.122 58.145 56.100 -0.128 0.000 0.955 512 R CB -0.120 30.067 30.300 -0.189 0.000 0.851 512 R HN 0.638 nan 8.270 nan 0.000 0.432 513 E N 0.339 120.432 120.200 -0.178 0.000 2.031 513 E HA -0.219 4.134 4.350 0.006 0.000 0.193 513 E C 1.957 178.530 176.600 -0.046 0.000 0.994 513 E CA 1.039 57.362 56.400 -0.129 0.000 0.800 513 E CB -0.274 29.443 29.700 0.028 0.000 0.752 513 E HN 0.199 nan 8.360 nan 0.000 0.447 514 I N 1.296 121.855 120.570 -0.017 0.000 2.657 514 I HA -0.232 3.941 4.170 0.006 0.000 0.261 514 I C 1.967 178.084 176.117 -0.000 0.000 1.212 514 I CA 0.911 62.213 61.300 0.004 0.000 1.453 514 I CB 0.076 38.084 38.000 0.015 0.000 1.092 514 I HN 0.159 nan 8.210 nan 0.000 0.452 515 L N -2.902 118.309 121.223 -0.021 0.000 2.577 515 L HA 0.320 4.664 4.340 0.006 0.000 0.225 515 L C 1.358 178.208 176.870 -0.034 0.000 1.053 515 L CA 0.560 55.388 54.840 -0.020 0.000 0.866 515 L CB -0.811 41.234 42.059 -0.022 0.000 1.132 515 L HN -0.096 nan 8.230 nan 0.000 0.486 516 E N 2.287 122.447 120.200 -0.066 0.000 2.467 516 E HA 0.172 4.525 4.350 0.006 0.000 0.321 516 E C -0.562 176.027 176.600 -0.018 0.000 1.388 516 E CA -0.068 56.289 56.400 -0.073 0.000 1.508 516 E CB -0.006 29.579 29.700 -0.192 0.000 1.250 516 E HN 0.423 nan 8.360 nan 0.000 0.500 523 L N -1.109 119.980 121.223 -0.223 0.000 2.388 523 L HA 0.656 5.000 4.340 0.006 0.000 0.264 523 L C -0.881 175.811 176.870 -0.297 0.000 0.998 523 L CA -1.147 53.532 54.840 -0.267 0.000 0.817 523 L CB 1.021 43.000 42.059 -0.134 0.000 1.338 523 L HN 0.420 nan 8.230 nan 0.000 0.414 524 Y N 0.285 120.513 120.300 -0.120 0.000 2.385 524 Y HA 0.070 4.623 4.550 0.006 0.000 0.346 524 Y C 1.464 177.281 175.900 -0.139 0.000 1.270 524 Y CA 0.234 58.264 58.100 -0.116 0.000 1.472 524 Y CB 0.499 38.879 38.460 -0.134 0.000 1.354 524 Y HN 0.744 nan 8.280 nan 0.000 0.611 525 E N 0.547 120.845 120.200 0.163 0.000 2.110 525 E HA -0.220 4.133 4.350 0.006 0.000 0.193 525 E C 1.873 178.530 176.600 0.095 0.000 0.988 525 E CA 2.128 58.588 56.400 0.100 0.000 0.804 525 E CB -0.301 29.468 29.700 0.117 0.000 0.745 525 E HN 0.849 nan 8.360 nan 0.000 0.458 526 H N -1.135 117.991 119.070 0.094 0.000 2.389 526 H HA 0.109 4.669 4.556 0.006 0.000 0.299 526 H C 1.845 177.220 175.328 0.078 0.000 1.081 526 H CA 1.303 57.392 56.048 0.068 0.000 1.345 526 H CB -0.304 29.483 29.762 0.042 0.000 1.393 526 H HN 0.185 nan 8.280 nan 0.000 0.520 527 E N 1.228 121.162 120.200 -0.444 0.000 2.077 527 E HA -0.156 4.197 4.350 0.006 0.000 0.193 527 E C 2.061 178.622 176.600 -0.065 0.000 0.989 527 E CA 1.201 57.467 56.400 -0.224 0.000 0.800 527 E CB -0.024 29.540 29.700 -0.227 0.000 0.746 527 E HN 0.538 nan 8.360 nan 0.000 0.452 528 K N 0.689 121.063 120.400 -0.043 0.000 2.063 528 K HA -0.187 4.136 4.320 0.006 0.000 0.208 528 K C 1.736 178.377 176.600 0.069 0.000 1.048 528 K CA 1.642 57.936 56.287 0.011 0.000 0.928 528 K CB -0.082 32.417 32.500 -0.001 0.000 0.713 528 K HN 0.054 nan 8.250 nan 0.000 0.442 529 D N 0.693 121.139 120.400 0.075 0.000 2.117 529 D HA -0.138 4.505 4.640 0.006 0.000 0.198 529 D C 1.695 178.078 176.300 0.138 0.000 0.982 529 D CA 0.627 54.701 54.000 0.123 0.000 0.828 529 D CB -0.080 40.788 40.800 0.112 0.000 0.967 529 D HN -0.008 nan 8.370 nan 0.000 0.464 530 L N 0.230 121.508 121.223 0.091 0.000 2.056 530 L HA -0.111 4.233 4.340 0.006 0.000 0.207 530 L C 2.027 178.930 176.870 0.055 0.000 1.078 530 L CA 1.260 56.140 54.840 0.068 0.000 0.749 530 L CB -0.406 41.681 42.059 0.048 0.000 0.901 530 L HN -0.082 nan 8.230 nan 0.000 0.433 531 V N -0.711 119.237 119.914 0.057 0.000 2.255 531 V HA -0.350 3.773 4.120 0.006 0.000 0.247 531 V C 2.224 178.375 176.094 0.095 0.000 1.051 531 V CA 2.428 64.761 62.300 0.054 0.000 1.018 531 V CB -1.101 30.756 31.823 0.058 0.000 0.641 531 V HN 0.750 nan 8.190 nan 0.000 0.445 532 W N 1.258 122.540 121.300 -0.031 0.000 2.355 532 W HA -0.266 4.397 4.660 0.005 0.000 0.309 532 W C 2.564 179.066 176.519 -0.029 0.000 1.206 532 W CA 2.235 59.554 57.345 -0.044 0.000 1.284 532 W CB -0.180 29.247 29.460 -0.056 0.000 1.145 532 W HN 0.221 nan 8.180 nan 0.000 0.502 533 K N 0.719 121.126 120.400 0.011 0.000 2.074 533 K HA -0.194 4.129 4.320 0.006 0.000 0.209 533 K C 1.496 178.025 176.600 -0.119 0.000 1.048 533 K CA 1.815 58.065 56.287 -0.062 0.000 0.926 533 K CB -0.690 31.837 32.500 0.045 0.000 0.713 533 K HN 0.009 nan 8.250 nan 0.000 0.444 534 M N 1.632 121.186 119.600 -0.077 0.000 2.866 534 M HA 0.142 4.626 4.480 0.006 0.000 0.319 534 M C 0.718 176.973 176.300 -0.074 0.000 1.244 534 M CA 0.076 55.355 55.300 -0.035 0.000 0.974 534 M CB 0.120 32.726 32.600 0.010 0.000 1.291 534 M HN 0.185 nan 8.290 nan 0.000 0.513 535 R N -0.959 119.391 120.500 -0.250 0.000 2.152 535 R HA -0.133 4.210 4.340 0.006 0.000 0.232 535 R C 1.051 177.202 176.300 -0.248 0.000 1.117 535 R CA 1.580 57.502 56.100 -0.296 0.000 0.981 535 R CB -0.762 29.164 30.300 -0.625 0.000 0.870 535 R HN 0.380 nan 8.270 nan 0.000 0.451 536 H N 0.881 119.881 119.070 -0.116 0.000 2.326 536 H HA -0.021 4.538 4.556 0.006 0.000 0.301 536 H C 1.744 177.010 175.328 -0.103 0.000 1.081 536 H CA 1.773 57.756 56.048 -0.109 0.000 1.334 536 H CB 0.008 29.713 29.762 -0.095 0.000 1.385 536 H HN 0.339 nan 8.280 nan 0.000 0.504 537 E N 0.252 120.513 120.200 0.103 0.000 2.118 537 E HA -0.136 4.217 4.350 0.006 0.000 0.195 537 E C 2.252 178.973 176.600 0.201 0.000 0.992 537 E CA 1.121 57.617 56.400 0.161 0.000 0.804 537 E CB -0.086 29.759 29.700 0.242 0.000 0.741 537 E HN 0.205 nan 8.360 nan 0.000 0.458 538 V N 0.901 120.908 119.914 0.154 0.000 2.261 538 V HA -0.319 3.804 4.120 0.006 0.000 0.246 538 V C 2.489 178.601 176.094 0.029 0.000 1.047 538 V CA 2.161 64.600 62.300 0.232 0.000 1.015 538 V CB -0.622 31.339 31.823 0.231 0.000 0.642 538 V HN 0.324 nan 8.190 nan 0.000 0.446 539 Q N -0.215 119.401 119.800 -0.307 0.000 2.096 539 Q HA -0.284 4.059 4.340 0.006 0.000 0.204 539 Q C 2.269 177.857 176.000 -0.686 0.000 0.982 539 Q CA 2.264 57.447 55.803 -1.033 0.000 0.850 539 Q CB -0.039 28.167 28.738 -0.887 0.000 0.901 539 Q HN 0.740 nan 8.270 nan 0.000 0.422 540 E N -1.408 118.518 120.200 -0.457 0.000 2.072 540 E HA -0.142 4.211 4.350 0.006 0.000 0.190 540 E C 1.051 177.246 176.600 -0.674 0.000 0.982 540 E CA 1.257 57.300 56.400 -0.595 0.000 0.803 540 E CB 0.184 29.464 29.700 -0.700 0.000 0.755 540 E HN 0.531 nan 8.360 nan 0.000 0.453 541 H N -2.974 115.991 119.070 -0.175 0.000 3.170 541 H HA 0.224 4.783 4.556 0.006 0.000 0.264 541 H C -0.488 174.404 175.328 -0.728 0.000 1.113 541 H CA -0.177 55.627 56.048 -0.406 0.000 1.194 541 H CB 0.817 30.319 29.762 -0.434 0.000 1.553 541 H HN -0.026 nan 8.280 nan 0.000 0.538 542 F N 0.345 120.311 119.950 0.026 0.000 2.541 542 F HA 0.264 4.794 4.527 0.005 0.000 0.368 542 F C -2.049 173.817 175.800 0.111 0.000 1.530 542 F CA -1.753 56.289 58.000 0.071 0.000 1.102 542 F CB 1.308 40.366 39.000 0.098 0.000 1.382 542 F HN -0.030 nan 8.300 nan 0.000 0.541 543 P HA -0.180 nan 4.420 nan 0.000 0.219 543 P C 0.895 178.547 177.300 0.586 0.000 1.146 543 P CA 1.557 64.805 63.100 0.247 0.000 0.808 543 P CB 0.246 31.908 31.700 -0.062 0.000 0.779 544 E N -0.502 119.903 120.200 0.341 0.000 2.516 544 E HA 0.063 4.416 4.350 0.006 0.000 0.199 544 E C 1.430 178.164 176.600 0.225 0.000 1.069 544 E CA 0.350 56.908 56.400 0.263 0.000 0.876 544 E CB -0.255 29.552 29.700 0.179 0.000 0.843 544 E HN 0.214 nan 8.360 nan 0.000 0.530 545 A N 0.863 123.857 122.820 0.290 0.000 2.370 545 A HA 0.072 4.395 4.320 0.006 0.000 0.238 545 A C 1.728 179.400 177.584 0.145 0.000 1.289 545 A CA -0.170 51.989 52.037 0.203 0.000 0.885 545 A CB -0.214 18.908 19.000 0.204 0.000 0.961 545 A HN 0.194 nan 8.150 nan 0.000 0.499 546 L N -0.167 121.107 121.223 0.086 0.000 2.043 546 L HA -0.169 4.175 4.340 0.006 0.000 0.212 546 L C 2.459 179.164 176.870 -0.274 0.000 1.075 546 L CA 2.479 57.113 54.840 -0.343 0.000 0.752 546 L CB -0.593 40.909 42.059 -0.929 0.000 0.891 546 L HN 0.368 nan 8.230 nan 0.000 0.432 547 A N -0.524 122.185 122.820 -0.185 0.000 1.933 547 A HA -0.244 4.079 4.320 0.006 0.000 0.218 547 A C 2.559 180.227 177.584 0.139 0.000 1.175 547 A CA 1.789 53.768 52.037 -0.098 0.000 0.628 547 A CB -0.646 18.274 19.000 -0.135 0.000 0.814 547 A HN 0.528 nan 8.150 nan 0.000 0.444 548 R N -1.028 119.525 120.500 0.087 0.000 2.115 548 R HA -0.071 4.273 4.340 0.006 0.000 0.230 548 R C 1.995 178.354 176.300 0.099 0.000 1.111 548 R CA 1.314 57.472 56.100 0.096 0.000 0.976 548 R CB -0.294 30.044 30.300 0.064 0.000 0.870 548 R HN 0.447 nan 8.270 nan 0.000 0.445 549 L N 1.021 122.294 121.223 0.083 0.000 2.027 549 L HA -0.091 4.253 4.340 0.006 0.000 0.206 549 L C 1.875 178.829 176.870 0.141 0.000 1.074 549 L CA 1.602 56.506 54.840 0.107 0.000 0.745 549 L CB -0.464 41.641 42.059 0.076 0.000 0.898 549 L HN 0.197 nan 8.230 nan 0.000 0.433 550 L N -1.100 120.209 121.223 0.142 0.000 2.079 550 L HA -0.248 4.096 4.340 0.006 0.000 0.210 550 L C 2.441 179.560 176.870 0.415 0.000 1.081 550 L CA 1.243 56.274 54.840 0.319 0.000 0.752 550 L CB -0.567 41.736 42.059 0.407 0.000 0.896 550 L HN 0.290 nan 8.230 nan 0.000 0.433 551 L N -0.437 120.960 121.223 0.289 0.000 2.376 551 L HA -0.100 4.244 4.340 0.006 0.000 0.219 551 L C 2.234 179.172 176.870 0.114 0.000 1.133 551 L CA 0.482 55.430 54.840 0.180 0.000 0.816 551 L CB -0.278 41.831 42.059 0.084 0.000 0.933 551 L HN 0.280 nan 8.230 nan 0.000 0.449 552 V N -4.469 115.499 119.914 0.089 0.000 3.506 552 V HA 0.055 4.178 4.120 0.006 0.000 0.263 552 V C 1.349 177.352 176.094 -0.152 0.000 1.203 552 V CA 0.279 62.585 62.300 0.009 0.000 1.133 552 V CB -0.611 31.247 31.823 0.058 0.000 0.802 552 V HN 0.405 nan 8.190 nan 0.000 0.459 553 T N 1.163 115.579 114.554 -0.230 0.000 2.926 553 T HA 0.181 4.534 4.350 0.006 0.000 0.307 553 T C 0.164 174.421 174.700 -0.739 0.000 1.059 553 T CA -0.405 61.257 62.100 -0.731 0.000 1.122 553 T CB 0.544 68.867 68.868 -0.908 0.000 0.972 553 T HN 0.414 nan 8.240 nan 0.000 0.545 554 K N 4.017 123.938 120.400 -0.799 0.000 2.220 554 K HA 0.074 4.397 4.320 0.006 0.000 0.283 554 K C 0.148 176.473 176.600 -0.459 0.000 1.098 554 K CA -0.049 55.945 56.287 -0.488 0.000 0.928 554 K CB 0.193 32.439 32.500 -0.423 0.000 1.214 554 K HN 0.810 nan 8.250 nan 0.000 0.442 555 W N 1.466 122.637 121.300 -0.216 0.000 2.825 555 W HA -0.105 4.558 4.660 0.006 0.000 0.243 555 W C 1.323 177.704 176.519 -0.230 0.000 1.293 555 W CA 0.263 57.449 57.345 -0.264 0.000 1.403 555 W CB -0.110 29.116 29.460 -0.391 0.000 1.134 555 W HN 0.542 nan 8.180 nan 0.000 0.666 556 N N 0.934 119.629 118.700 -0.009 0.000 2.279 556 N HA 0.008 4.752 4.740 0.006 0.000 0.226 556 N C -0.533 174.975 175.510 -0.003 0.000 1.126 556 N CA 0.097 53.143 53.050 -0.007 0.000 0.846 556 N CB -0.356 38.120 38.487 -0.019 0.000 1.050 556 N HN -0.033 nan 8.380 nan 0.000 0.502 557 K N 0.695 121.076 120.400 -0.032 0.000 2.541 557 K HA 0.136 4.459 4.320 0.006 0.000 0.250 557 K C 0.270 176.878 176.600 0.013 0.000 0.950 557 K CA -0.629 55.660 56.287 0.003 0.000 0.805 557 K CB 1.133 33.584 32.500 -0.081 0.000 1.166 557 K HN 0.135 nan 8.250 nan 0.000 0.430 558 H N 1.714 120.798 119.070 0.023 0.000 2.457 558 H HA -0.032 4.527 4.556 0.006 0.000 0.294 558 H C 1.016 176.372 175.328 0.046 0.000 1.064 558 H CA 1.225 57.310 56.048 0.061 0.000 1.330 558 H CB 0.378 30.192 29.762 0.087 0.000 1.395 558 H HN 0.734 nan 8.280 nan 0.000 0.541 559 E N 0.842 120.709 120.200 -0.556 0.000 2.072 559 E HA -0.143 4.211 4.350 0.006 0.000 0.191 559 E C 1.261 177.796 176.600 -0.109 0.000 0.985 559 E CA 1.199 57.395 56.400 -0.340 0.000 0.801 559 E CB 0.201 29.722 29.700 -0.298 0.000 0.750 559 E HN 0.466 nan 8.360 nan 0.000 0.452 560 D N -0.256 120.072 120.400 -0.121 0.000 2.144 560 D HA -0.118 4.525 4.640 0.006 0.000 0.200 560 D C 1.994 178.227 176.300 -0.111 0.000 0.978 560 D CA 0.615 54.557 54.000 -0.096 0.000 0.833 560 D CB -0.088 40.461 40.800 -0.418 0.000 0.961 560 D HN 0.038 nan 8.370 nan 0.000 0.470 561 V N 1.182 120.987 119.914 -0.181 0.000 2.295 561 V HA -0.233 3.890 4.120 0.006 0.000 0.246 561 V C 2.474 178.570 176.094 0.005 0.000 1.049 561 V CA 1.803 63.999 62.300 -0.173 0.000 1.024 561 V CB -0.865 30.955 31.823 -0.004 0.000 0.648 561 V HN 0.211 nan 8.190 nan 0.000 0.447 562 A N -0.893 121.959 122.820 0.053 0.000 1.940 562 A HA -0.327 3.996 4.320 0.006 0.000 0.219 562 A C 2.148 179.781 177.584 0.082 0.000 1.176 562 A CA 2.247 54.327 52.037 0.072 0.000 0.631 562 A CB -0.529 18.496 19.000 0.042 0.000 0.814 562 A HN 0.556 nan 8.150 nan 0.000 0.446 563 Q N -1.571 118.287 119.800 0.096 0.000 2.020 563 Q HA -0.186 4.158 4.340 0.006 0.000 0.202 563 Q C 2.087 178.159 176.000 0.120 0.000 0.982 563 Q CA 2.177 58.056 55.803 0.127 0.000 0.838 563 Q CB -0.344 28.548 28.738 0.256 0.000 0.899 563 Q HN 0.636 nan 8.270 nan 0.000 0.423 564 M N -0.571 119.116 119.600 0.145 0.000 2.067 564 M HA -0.110 4.373 4.480 0.006 0.000 0.260 564 M C 1.504 177.826 176.300 0.036 0.000 1.069 564 M CA 1.496 56.839 55.300 0.073 0.000 1.117 564 M CB -0.625 31.956 32.600 -0.031 0.000 1.334 564 M HN 0.280 nan 8.290 nan 0.000 0.407 565 L N -0.586 120.665 121.223 0.046 0.000 2.021 565 L HA -0.251 4.092 4.340 0.006 0.000 0.215 565 L C 2.429 179.307 176.870 0.012 0.000 1.074 565 L CA 2.060 56.907 54.840 0.012 0.000 0.760 565 L CB -1.775 40.279 42.059 -0.009 0.000 0.889 565 L HN 0.487 nan 8.230 nan 0.000 0.433 566 Y N -0.227 120.049 120.300 -0.039 0.000 2.114 566 Y HA -0.280 4.273 4.550 0.006 0.000 0.282 566 Y C 2.327 178.230 175.900 0.005 0.000 1.165 566 Y CA 1.637 59.721 58.100 -0.026 0.000 1.148 566 Y CB -0.350 38.098 38.460 -0.020 0.000 0.972 566 Y HN 0.080 nan 8.280 nan 0.000 0.504 567 L N -0.892 120.287 121.223 -0.073 0.000 1.994 567 L HA -0.232 4.112 4.340 0.006 0.000 0.208 567 L C 2.473 179.388 176.870 0.074 0.000 1.071 567 L CA 1.310 56.119 54.840 -0.050 0.000 0.745 567 L CB -0.948 41.178 42.059 0.111 0.000 0.892 567 L HN 0.321 nan 8.230 nan 0.000 0.431 568 L N -0.161 121.086 121.223 0.040 0.000 2.043 568 L HA -0.265 4.078 4.340 0.006 0.000 0.212 568 L C 2.422 179.300 176.870 0.014 0.000 1.075 568 L CA 1.817 56.627 54.840 -0.050 0.000 0.752 568 L CB -0.697 41.265 42.059 -0.161 0.000 0.891 568 L HN 0.297 nan 8.230 nan 0.000 0.432 569 C N -0.623 118.653 119.300 -0.040 0.000 2.456 569 C HA 0.017 4.480 4.460 0.006 0.000 0.279 569 C C 2.389 177.375 174.990 -0.007 0.000 1.427 569 C CA 0.849 59.855 59.018 -0.020 0.000 1.778 569 C CB -1.544 26.148 27.740 -0.080 0.000 1.842 569 C HN 0.790 nan 8.230 nan 0.000 0.531 570 S N -2.425 113.245 115.700 -0.051 0.000 2.602 570 S HA 0.108 4.582 4.470 0.006 0.000 0.240 570 S C -0.023 174.590 174.600 0.021 0.000 0.992 570 S CA -0.434 57.736 58.200 -0.049 0.000 0.971 570 S CB -0.247 62.849 63.200 -0.173 0.000 0.855 570 S HN 0.634 nan 8.310 nan 0.000 0.481 571 W N 4.802 126.073 121.300 -0.048 0.000 2.253 571 W HA 0.300 4.963 4.660 0.006 0.000 0.322 571 W C -2.585 174.030 176.519 0.159 0.000 1.342 571 W CA -1.837 55.502 57.345 -0.009 0.000 1.218 571 W CB 0.715 30.065 29.460 -0.184 0.000 1.205 571 W HN 0.151 nan 8.180 nan 0.000 0.551 572 P HA -0.018 nan 4.420 nan 0.000 0.269 572 P C -0.407 177.127 177.300 0.390 0.000 1.215 572 P CA 0.384 63.587 63.100 0.172 0.000 0.780 572 P CB 0.749 32.453 31.700 0.007 0.000 0.898 573 E N 0.886 121.190 120.200 0.174 0.000 2.437 573 E HA 0.068 4.421 4.350 0.006 0.000 0.263 573 E C -0.039 176.631 176.600 0.118 0.000 1.030 573 E CA 0.212 56.630 56.400 0.029 0.000 0.934 573 E CB 0.218 29.880 29.700 -0.062 0.000 0.943 573 E HN 0.361 nan 8.360 nan 0.000 0.444 574 L N 2.930 124.194 121.223 0.069 0.000 2.313 574 L HA 0.442 4.786 4.340 0.006 0.000 0.268 574 L C -2.213 174.673 176.870 0.027 0.000 1.010 574 L CA -2.483 52.426 54.840 0.115 0.000 0.814 574 L CB 1.177 43.352 42.059 0.195 0.000 1.304 574 L HN 0.244 nan 8.230 nan 0.000 0.441 575 P HA 0.027 nan 4.420 nan 0.000 0.270 575 P C 0.915 178.219 177.300 0.008 0.000 1.223 575 P CA -0.341 62.775 63.100 0.027 0.000 0.785 575 P CB 0.702 32.429 31.700 0.045 0.000 0.923 576 V N 1.491 121.412 119.914 0.011 0.000 2.278 576 V HA -0.266 3.857 4.120 0.006 0.000 0.251 576 V C 2.240 178.328 176.094 -0.010 0.000 1.062 576 V CA 2.023 64.327 62.300 0.007 0.000 1.038 576 V CB -1.099 30.763 31.823 0.064 0.000 0.646 576 V HN 0.527 nan 8.190 nan 0.000 0.447 577 L N 0.127 121.362 121.223 0.019 0.000 2.013 577 L HA -0.186 4.157 4.340 0.006 0.000 0.212 577 L C 2.543 179.440 176.870 0.044 0.000 1.073 577 L CA 2.495 57.363 54.840 0.047 0.000 0.753 577 L CB -0.789 41.317 42.059 0.080 0.000 0.890 577 L HN 0.333 nan 8.230 nan 0.000 0.432 578 S N -0.311 115.401 115.700 0.019 0.000 2.368 578 S HA -0.150 4.323 4.470 0.006 0.000 0.225 578 S C 2.078 176.609 174.600 -0.116 0.000 1.030 578 S CA 1.090 59.270 58.200 -0.034 0.000 0.999 578 S CB -0.679 62.534 63.200 0.023 0.000 0.844 578 S HN 0.669 nan 8.310 nan 0.000 0.459 579 A N 1.298 124.065 122.820 -0.088 0.000 1.972 579 A HA 0.009 4.332 4.320 0.006 0.000 0.219 579 A C 2.072 179.565 177.584 -0.151 0.000 1.169 579 A CA 1.040 53.003 52.037 -0.123 0.000 0.635 579 A CB -0.655 18.266 19.000 -0.132 0.000 0.810 579 A HN 0.462 nan 8.150 nan 0.000 0.446 580 L N -1.018 120.117 121.223 -0.147 0.000 2.093 580 L HA -0.164 4.179 4.340 0.006 0.000 0.208 580 L C 2.596 179.347 176.870 -0.199 0.000 1.085 580 L CA 1.604 56.355 54.840 -0.148 0.000 0.755 580 L CB -0.448 41.523 42.059 -0.147 0.000 0.904 580 L HN 0.577 nan 8.230 nan 0.000 0.435 581 E N 0.831 120.792 120.200 -0.398 0.000 2.077 581 E HA -0.225 4.128 4.350 0.006 0.000 0.193 581 E C 2.237 178.688 176.600 -0.249 0.000 0.989 581 E CA 1.063 57.162 56.400 -0.502 0.000 0.800 581 E CB -0.026 29.223 29.700 -0.752 0.000 0.746 581 E HN 0.476 nan 8.360 nan 0.000 0.452 582 L N 0.723 121.716 121.223 -0.384 0.000 2.456 582 L HA -0.088 4.255 4.340 0.006 0.000 0.224 582 L C 2.026 178.815 176.870 -0.134 0.000 1.148 582 L CA 0.242 54.755 54.840 -0.545 0.000 0.825 582 L CB -0.073 41.719 42.059 -0.445 0.000 0.937 582 L HN 0.241 nan 8.230 nan 0.000 0.450 583 L N -1.165 120.039 121.223 -0.030 0.000 2.554 583 L HA 0.026 4.369 4.340 0.006 0.000 0.226 583 L C 0.734 177.706 176.870 0.171 0.000 1.137 583 L CA -0.193 54.685 54.840 0.063 0.000 0.863 583 L CB -0.308 41.773 42.059 0.037 0.000 0.985 583 L HN 0.157 nan 8.230 nan 0.000 0.451 584 D N -0.289 120.240 120.400 0.216 0.000 2.400 584 D HA -0.141 4.503 4.640 0.006 0.000 0.238 584 D C 0.814 177.133 176.300 0.032 0.000 1.157 584 D CA 0.074 54.191 54.000 0.194 0.000 0.889 584 D CB 0.762 41.670 40.800 0.180 0.000 1.199 584 D HN -0.019 nan 8.370 nan 0.000 0.436 585 F N 1.683 121.367 119.950 -0.444 0.000 2.333 585 F HA -0.150 4.380 4.527 0.006 0.000 0.300 585 F C 2.211 177.675 175.800 -0.560 0.000 1.083 585 F CA 1.028 58.573 58.000 -0.759 0.000 1.395 585 F CB -0.158 38.029 39.000 -1.355 0.000 1.056 585 F HN 0.238 nan 8.300 nan 0.000 0.529 586 S N -0.394 114.932 115.700 -0.624 0.000 2.500 586 S HA -0.117 4.357 4.470 0.006 0.000 0.239 586 S C 0.298 174.185 174.600 -1.187 0.000 0.989 586 S CA 0.591 58.242 58.200 -0.916 0.000 0.951 586 S CB -0.650 61.965 63.200 -0.976 0.000 0.759 586 S HN 0.288 nan 8.310 nan 0.000 0.523 587 F N 0.701 120.385 119.950 -0.443 0.000 2.471 587 F HA 0.366 4.896 4.527 0.005 0.000 0.318 587 F C -2.123 173.387 175.800 -0.484 0.000 1.308 587 F CA -2.356 55.398 58.000 -0.410 0.000 1.162 587 F CB 0.887 39.743 39.000 -0.239 0.000 1.383 587 F HN -0.039 nan 8.300 nan 0.000 0.552 588 P HA -0.086 nan 4.420 nan 0.000 0.225 588 P C 0.237 177.252 177.300 -0.475 0.000 1.156 588 P CA 0.694 63.383 63.100 -0.685 0.000 0.787 588 P CB 0.197 31.203 31.700 -1.158 0.000 0.802 589 D N -0.700 119.435 120.400 -0.442 0.000 2.414 589 D HA -0.035 4.608 4.640 0.006 0.000 0.242 589 D C 1.298 177.534 176.300 -0.108 0.000 1.129 589 D CA -0.176 53.703 54.000 -0.200 0.000 0.885 589 D CB 0.728 41.465 40.800 -0.105 0.000 1.198 589 D HN 0.115 nan 8.370 nan 0.000 0.437 590 C N 2.559 121.781 119.300 -0.130 0.000 2.435 590 C HA -0.058 4.406 4.460 0.006 0.000 0.279 590 C C 2.256 177.151 174.990 -0.157 0.000 1.321 590 C CA 0.057 58.971 59.018 -0.174 0.000 1.752 590 C CB -1.596 25.981 27.740 -0.272 0.000 1.959 590 C HN 0.701 nan 8.230 nan 0.000 0.500 591 Y N 1.913 122.233 120.300 0.033 0.000 2.242 591 Y HA -0.054 4.499 4.550 0.006 0.000 0.291 591 Y C 2.841 178.784 175.900 0.072 0.000 1.137 591 Y CA 1.555 59.693 58.100 0.064 0.000 1.181 591 Y CB -0.906 37.605 38.460 0.085 0.000 0.989 591 Y HN 0.182 nan 8.280 nan 0.000 0.527 592 V N -0.499 119.528 119.914 0.188 0.000 2.295 592 V HA -0.261 3.863 4.120 0.006 0.000 0.246 592 V C 2.578 178.727 176.094 0.091 0.000 1.049 592 V CA 1.950 64.304 62.300 0.090 0.000 1.024 592 V CB -1.461 30.384 31.823 0.036 0.000 0.648 592 V HN 0.537 nan 8.190 nan 0.000 0.447 593 G N -0.969 107.856 108.800 0.042 0.000 2.476 593 G HA2 -0.341 3.622 3.960 0.006 0.000 0.218 593 G HA3 -0.341 3.622 3.960 0.006 0.000 0.218 593 G C 1.947 176.864 174.900 0.029 0.000 1.164 593 G CA 1.412 46.524 45.100 0.020 0.000 0.768 593 G HN 0.487 nan 8.290 nan 0.000 0.560 594 S N -0.294 115.438 115.700 0.053 0.000 2.356 594 S HA -0.124 4.349 4.470 0.006 0.000 0.223 594 S C 2.069 176.710 174.600 0.069 0.000 1.032 594 S CA 1.478 59.710 58.200 0.054 0.000 1.005 594 S CB -0.438 62.814 63.200 0.086 0.000 0.867 594 S HN 0.388 nan 8.310 nan 0.000 0.449 595 F N 2.340 122.285 119.950 -0.008 0.000 2.095 595 F HA -0.095 4.435 4.527 0.006 0.000 0.298 595 F C 2.274 178.023 175.800 -0.086 0.000 1.104 595 F CA 1.510 59.490 58.000 -0.033 0.000 1.232 595 F CB -0.855 38.119 39.000 -0.042 0.000 0.987 595 F HN 0.274 nan 8.300 nan 0.000 0.475 596 A N 0.941 123.780 122.820 0.032 0.000 1.883 596 A HA -0.168 4.155 4.320 0.006 0.000 0.217 596 A C 2.210 179.650 177.584 -0.241 0.000 1.186 596 A CA 1.868 53.840 52.037 -0.108 0.000 0.624 596 A CB -1.045 17.921 19.000 -0.058 0.000 0.822 596 A HN 0.432 nan 8.150 nan 0.000 0.444 597 I N 0.007 120.441 120.570 -0.227 0.000 2.179 597 I HA -0.236 3.938 4.170 0.006 0.000 0.242 597 I C 2.380 178.265 176.117 -0.388 0.000 1.088 597 I CA 1.956 63.036 61.300 -0.366 0.000 1.357 597 I CB -1.240 36.588 38.000 -0.288 0.000 1.051 597 I HN 0.445 nan 8.210 nan 0.000 0.409 598 K N 0.745 120.972 120.400 -0.288 0.000 2.074 598 K HA -0.186 4.137 4.320 0.006 0.000 0.209 598 K C 2.259 178.668 176.600 -0.318 0.000 1.048 598 K CA 1.897 58.025 56.287 -0.265 0.000 0.926 598 K CB 0.027 32.384 32.500 -0.238 0.000 0.713 598 K HN 0.113 nan 8.250 nan 0.000 0.444 599 S N 0.564 115.998 115.700 -0.443 0.000 2.447 599 S HA 0.011 4.484 4.470 0.006 0.000 0.233 599 S C 1.499 175.962 174.600 -0.229 0.000 1.006 599 S CA 0.649 58.632 58.200 -0.362 0.000 0.957 599 S CB 0.028 62.957 63.200 -0.450 0.000 0.773 599 S HN 0.263 nan 8.310 nan 0.000 0.507 600 L N 0.386 121.444 121.223 -0.274 0.000 2.591 600 L HA 0.216 4.560 4.340 0.006 0.000 0.228 600 L C 2.234 179.002 176.870 -0.169 0.000 1.133 600 L CA 0.153 54.858 54.840 -0.226 0.000 0.880 600 L CB -0.128 41.730 42.059 -0.335 0.000 1.033 600 L HN 0.121 nan 8.230 nan 0.000 0.450 601 R N 1.075 121.476 120.500 -0.165 0.000 2.152 601 R HA -0.165 4.178 4.340 0.006 0.000 0.232 601 R C 2.082 178.453 176.300 0.118 0.000 1.117 601 R CA 1.252 57.388 56.100 0.060 0.000 0.981 601 R CB -0.017 30.309 30.300 0.043 0.000 0.870 601 R HN 0.405 nan 8.270 nan 0.000 0.451 602 K N 0.339 120.766 120.400 0.045 0.000 2.486 602 K HA -0.001 4.322 4.320 0.006 0.000 0.194 602 K C 0.267 176.914 176.600 0.079 0.000 1.033 602 K CA 0.261 56.581 56.287 0.055 0.000 1.004 602 K CB -0.058 32.456 32.500 0.023 0.000 0.798 602 K HN 0.095 nan 8.250 nan 0.000 0.495 603 L N 3.899 125.190 121.223 0.113 0.000 2.615 603 L HA -0.061 4.282 4.340 0.006 0.000 0.284 603 L C 0.813 177.748 176.870 0.108 0.000 1.237 603 L CA 0.208 55.127 54.840 0.133 0.000 0.905 603 L CB 0.144 42.331 42.059 0.212 0.000 1.149 603 L HN 0.408 nan 8.230 nan 0.000 0.499 604 T N -1.169 113.424 114.554 0.064 0.000 2.860 604 T HA 0.018 4.371 4.350 0.006 0.000 0.299 604 T C 0.923 175.645 174.700 0.036 0.000 1.045 604 T CA -0.835 61.290 62.100 0.041 0.000 1.071 604 T CB 0.927 69.803 68.868 0.013 0.000 0.985 604 T HN 0.526 nan 8.240 nan 0.000 0.537 605 D N 0.749 121.165 120.400 0.028 0.000 2.149 605 D HA -0.103 4.540 4.640 0.006 0.000 0.198 605 D C 1.614 177.927 176.300 0.022 0.000 0.990 605 D CA 1.259 55.273 54.000 0.022 0.000 0.839 605 D CB -0.210 40.591 40.800 0.002 0.000 0.948 605 D HN 0.619 nan 8.370 nan 0.000 0.460 606 D N 0.560 120.955 120.400 -0.008 0.000 2.117 606 D HA -0.100 4.543 4.640 0.006 0.000 0.198 606 D C 2.000 178.253 176.300 -0.078 0.000 0.982 606 D CA 0.713 54.706 54.000 -0.012 0.000 0.828 606 D CB -0.180 40.592 40.800 -0.046 0.000 0.967 606 D HN 0.363 nan 8.370 nan 0.000 0.464 607 E N -0.002 120.110 120.200 -0.146 0.000 2.051 607 E HA -0.166 4.187 4.350 0.006 0.000 0.192 607 E C 2.053 178.394 176.600 -0.432 0.000 0.991 607 E CA 0.403 56.581 56.400 -0.371 0.000 0.799 607 E CB -0.104 29.485 29.700 -0.184 0.000 0.748 607 E HN 0.099 nan 8.360 nan 0.000 0.449 608 L N 0.717 121.882 121.223 -0.097 0.000 2.012 608 L HA -0.189 4.154 4.340 0.006 0.000 0.210 608 L C 2.110 178.981 176.870 0.003 0.000 1.073 608 L CA 1.669 56.525 54.840 0.027 0.000 0.748 608 L CB -0.715 41.407 42.059 0.105 0.000 0.891 608 L HN 0.093 nan 8.230 nan 0.000 0.431 609 F N 0.457 120.329 119.950 -0.130 0.000 2.095 609 F HA -0.285 4.245 4.527 0.005 0.000 0.298 609 F C 2.621 178.303 175.800 -0.198 0.000 1.104 609 F CA 2.169 60.090 58.000 -0.132 0.000 1.232 609 F CB -0.700 38.218 39.000 -0.137 0.000 0.987 609 F HN 0.319 nan 8.300 nan 0.000 0.475 610 Q N -0.351 119.166 119.800 -0.472 0.000 2.135 610 Q HA -0.222 4.122 4.340 0.006 0.000 0.204 610 Q C 1.310 177.062 176.000 -0.413 0.000 0.981 610 Q CA 2.021 57.464 55.803 -0.600 0.000 0.856 610 Q CB -0.629 27.721 28.738 -0.646 0.000 0.902 610 Q HN 0.591 nan 8.270 nan 0.000 0.425 611 Y N -0.799 119.395 120.300 -0.176 0.000 2.493 611 Y HA 0.179 4.733 4.550 0.006 0.000 0.275 611 Y C 1.186 177.017 175.900 -0.115 0.000 1.183 611 Y CA -0.564 57.454 58.100 -0.137 0.000 1.258 611 Y CB -0.426 37.991 38.460 -0.072 0.000 1.108 611 Y HN 0.113 nan 8.280 nan 0.000 0.521 612 L N 0.333 121.533 121.223 -0.040 0.000 2.046 612 L HA -0.173 4.170 4.340 0.006 0.000 0.208 612 L C 2.189 179.021 176.870 -0.062 0.000 1.077 612 L CA 1.453 56.303 54.840 0.016 0.000 0.747 612 L CB -0.811 41.302 42.059 0.090 0.000 0.896 612 L HN 0.297 nan 8.230 nan 0.000 0.432 613 L N -0.611 120.489 121.223 -0.204 0.000 2.013 613 L HA -0.267 4.076 4.340 0.006 0.000 0.212 613 L C 2.387 179.108 176.870 -0.248 0.000 1.073 613 L CA 1.905 56.496 54.840 -0.414 0.000 0.753 613 L CB -0.813 41.001 42.059 -0.408 0.000 0.890 613 L HN 0.374 nan 8.230 nan 0.000 0.432 614 Q N -0.736 118.977 119.800 -0.146 0.000 2.083 614 Q HA -0.048 4.295 4.340 0.006 0.000 0.198 614 Q C 2.228 178.185 176.000 -0.071 0.000 0.969 614 Q CA 1.671 57.407 55.803 -0.113 0.000 0.838 614 Q CB -0.374 28.313 28.738 -0.085 0.000 0.900 614 Q HN 0.518 nan 8.270 nan 0.000 0.436 615 L N -0.498 120.715 121.223 -0.017 0.000 2.042 615 L HA -0.193 4.151 4.340 0.006 0.000 0.210 615 L C 2.131 178.996 176.870 -0.009 0.000 1.076 615 L CA 0.903 55.759 54.840 0.026 0.000 0.749 615 L CB -0.691 41.431 42.059 0.105 0.000 0.893 615 L HN 0.123 nan 8.230 nan 0.000 0.432 616 V N -0.680 119.202 119.914 -0.054 0.000 2.295 616 V HA -0.272 3.851 4.120 0.006 0.000 0.246 616 V C 2.601 178.652 176.094 -0.070 0.000 1.049 616 V CA 1.514 63.753 62.300 -0.101 0.000 1.024 616 V CB -0.548 31.183 31.823 -0.152 0.000 0.648 616 V HN 0.468 nan 8.190 nan 0.000 0.447 617 Q N -0.272 119.464 119.800 -0.106 0.000 2.124 617 Q HA -0.125 4.219 4.340 0.006 0.000 0.202 617 Q C 2.343 178.199 176.000 -0.240 0.000 0.977 617 Q CA 1.377 57.094 55.803 -0.142 0.000 0.850 617 Q CB -0.828 27.795 28.738 -0.191 0.000 0.901 617 Q HN 0.557 nan 8.270 nan 0.000 0.429 618 V N 1.268 121.067 119.914 -0.192 0.000 2.720 618 V HA -0.220 3.903 4.120 0.006 0.000 0.256 618 V C 2.313 178.351 176.094 -0.093 0.000 1.082 618 V CA 0.995 63.182 62.300 -0.189 0.000 1.101 618 V CB -0.637 31.192 31.823 0.010 0.000 0.693 618 V HN 0.289 nan 8.190 nan 0.000 0.479 619 L N -0.357 120.853 121.223 -0.022 0.000 2.129 619 L HA -0.244 4.100 4.340 0.006 0.000 0.212 619 L C 2.440 179.325 176.870 0.025 0.000 1.087 619 L CA 1.660 56.537 54.840 0.062 0.000 0.757 619 L CB -0.605 41.544 42.059 0.150 0.000 0.896 619 L HN 0.318 nan 8.230 nan 0.000 0.434 620 K N -1.113 119.231 120.400 -0.093 0.000 2.362 620 K HA -0.147 4.177 4.320 0.006 0.000 0.200 620 K C 1.504 178.007 176.600 -0.160 0.000 1.046 620 K CA 0.884 57.054 56.287 -0.195 0.000 0.952 620 K CB -0.020 32.296 32.500 -0.306 0.000 0.753 620 K HN 0.233 nan 8.250 nan 0.000 0.466 621 Y N 1.511 121.749 120.300 -0.102 0.000 2.523 621 Y HA 0.094 4.648 4.550 0.006 0.000 0.279 621 Y C 0.578 176.456 175.900 -0.036 0.000 1.139 621 Y CA -0.258 57.777 58.100 -0.108 0.000 1.296 621 Y CB -0.040 38.424 38.460 0.007 0.000 1.045 621 Y HN -0.083 nan 8.280 nan 0.000 0.538 622 E N -0.185 120.078 120.200 0.106 0.000 2.392 622 E HA 0.048 4.402 4.350 0.006 0.000 0.264 622 E C 0.817 177.391 176.600 -0.044 0.000 1.024 622 E CA 0.132 56.563 56.400 0.053 0.000 0.903 622 E CB 1.464 31.198 29.700 0.057 0.000 0.963 622 E HN 0.066 nan 8.360 nan 0.000 0.432 623 S N 1.607 117.223 115.700 -0.140 0.000 2.439 623 S HA 0.023 4.496 4.470 0.006 0.000 0.224 623 S C -0.063 174.122 174.600 -0.691 0.000 1.029 623 S CA 0.671 58.601 58.200 -0.449 0.000 0.946 623 S CB 0.093 62.913 63.200 -0.632 0.000 0.797 623 S HN 0.375 nan 8.310 nan 0.000 0.504 624 Y N -0.491 119.839 120.300 0.050 0.000 2.598 624 Y HA 0.473 5.026 4.550 0.005 0.000 0.340 624 Y C 0.956 176.865 175.900 0.015 0.000 1.038 624 Y CA -1.052 57.076 58.100 0.047 0.000 1.100 624 Y CB 0.666 39.188 38.460 0.103 0.000 1.281 624 Y HN -0.176 nan 8.280 nan 0.000 0.488 625 L N 0.006 121.310 121.223 0.136 0.000 2.005 625 L HA -0.086 4.257 4.340 0.006 0.000 0.207 625 L C 0.372 177.359 176.870 0.196 0.000 1.072 625 L CA 1.325 56.149 54.840 -0.026 0.000 0.744 625 L CB -0.087 41.830 42.059 -0.237 0.000 0.895 625 L HN 0.591 nan 8.230 nan 0.000 0.433 626 D N 0.343 120.944 120.400 0.335 0.000 2.336 626 D HA 0.250 4.894 4.640 0.006 0.000 0.249 626 D C -0.589 175.840 176.300 0.215 0.000 1.213 626 D CA -0.235 53.973 54.000 0.347 0.000 0.870 626 D CB 0.572 41.527 40.800 0.259 0.000 1.076 626 D HN 0.253 nan 8.370 nan 0.000 0.483 627 C N 2.324 121.729 119.300 0.176 0.000 3.241 627 C HA 0.515 4.978 4.460 0.006 0.000 0.312 627 C C 1.323 176.358 174.990 0.076 0.000 1.350 627 C CA -0.768 58.323 59.018 0.122 0.000 1.415 627 C CB 1.764 29.586 27.740 0.137 0.000 1.770 627 C HN 0.513 nan 8.230 nan 0.000 0.466 628 E N 0.160 120.390 120.200 0.052 0.000 2.110 628 E HA -0.151 4.202 4.350 0.006 0.000 0.193 628 E C 1.784 178.436 176.600 0.087 0.000 0.988 628 E CA 1.093 57.515 56.400 0.038 0.000 0.804 628 E CB -0.173 29.535 29.700 0.013 0.000 0.745 628 E HN 0.735 nan 8.360 nan 0.000 0.458 629 L N 1.277 122.558 121.223 0.097 0.000 2.012 629 L HA -0.151 4.193 4.340 0.006 0.000 0.210 629 L C 2.220 179.201 176.870 0.185 0.000 1.073 629 L CA 1.967 56.898 54.840 0.151 0.000 0.748 629 L CB -1.014 41.114 42.059 0.115 0.000 0.891 629 L HN 0.017 nan 8.230 nan 0.000 0.431 630 T N -0.432 114.206 114.554 0.140 0.000 2.708 630 T HA -0.240 4.114 4.350 0.006 0.000 0.266 630 T C 1.917 176.674 174.700 0.095 0.000 1.037 630 T CA 1.814 63.998 62.100 0.140 0.000 1.146 630 T CB -0.208 68.787 68.868 0.211 0.000 0.865 630 T HN 0.336 nan 8.240 nan 0.000 0.435 631 K N -0.066 120.343 120.400 0.014 0.000 2.057 631 K HA -0.093 4.230 4.320 0.006 0.000 0.207 631 K C 2.095 178.699 176.600 0.005 0.000 1.049 631 K CA 1.126 57.310 56.287 -0.172 0.000 0.931 631 K CB -0.301 31.994 32.500 -0.341 0.000 0.714 631 K HN 0.292 nan 8.250 nan 0.000 0.440 632 F N 1.733 121.671 119.950 -0.020 0.000 2.095 632 F HA -0.180 4.351 4.527 0.007 0.000 0.298 632 F C 1.689 177.545 175.800 0.094 0.000 1.104 632 F CA 1.426 59.454 58.000 0.046 0.000 1.232 632 F CB -0.260 38.760 39.000 0.033 0.000 0.987 632 F HN -0.034 nan 8.300 nan 0.000 0.475 633 L N -0.790 120.448 121.223 0.024 0.000 2.093 633 L HA -0.205 4.138 4.340 0.006 0.000 0.208 633 L C 2.370 179.231 176.870 -0.014 0.000 1.085 633 L CA 0.476 55.275 54.840 -0.069 0.000 0.755 633 L CB -0.689 41.402 42.059 0.053 0.000 0.904 633 L HN 0.216 nan 8.230 nan 0.000 0.435 634 L N 0.024 121.306 121.223 0.100 0.000 2.027 634 L HA -0.060 4.283 4.340 0.006 0.000 0.206 634 L C 2.534 179.572 176.870 0.281 0.000 1.074 634 L CA 2.085 57.063 54.840 0.230 0.000 0.745 634 L CB -1.535 40.694 42.059 0.285 0.000 0.898 634 L HN 0.177 nan 8.230 nan 0.000 0.433 635 G N -0.866 108.151 108.800 0.361 0.000 2.446 635 G HA2 -0.271 3.693 3.960 0.006 0.000 0.217 635 G HA3 -0.271 3.693 3.960 0.006 0.000 0.217 635 G C 1.710 176.646 174.900 0.059 0.000 1.168 635 G CA 0.445 45.705 45.100 0.266 0.000 0.771 635 G HN 0.222 nan 8.290 nan 0.000 0.551 636 R N 0.796 121.240 120.500 -0.094 0.000 2.081 636 R HA 0.008 4.352 4.340 0.006 0.000 0.235 636 R C 2.931 179.232 176.300 0.001 0.000 1.131 636 R CA 1.303 57.320 56.100 -0.139 0.000 0.960 636 R CB -1.161 28.900 30.300 -0.398 0.000 0.856 636 R HN 0.370 nan 8.270 nan 0.000 0.436 637 A N 0.996 123.854 122.820 0.063 0.000 1.933 637 A HA -0.076 4.247 4.320 0.006 0.000 0.218 637 A C 2.311 180.086 177.584 0.319 0.000 1.175 637 A CA 1.044 53.188 52.037 0.178 0.000 0.628 637 A CB -0.456 18.651 19.000 0.178 0.000 0.814 637 A HN 0.202 nan 8.150 nan 0.000 0.444 638 L N -1.288 120.092 121.223 0.262 0.000 2.395 638 L HA -0.010 4.333 4.340 0.006 0.000 0.218 638 L C 2.563 179.543 176.870 0.184 0.000 1.130 638 L CA 0.695 55.655 54.840 0.200 0.000 0.826 638 L CB -0.142 41.939 42.059 0.037 0.000 0.941 638 L HN 0.419 nan 8.230 nan 0.000 0.451 639 A N -1.151 121.762 122.820 0.155 0.000 2.267 639 A HA 0.074 4.397 4.320 0.006 0.000 0.213 639 A C 0.611 178.335 177.584 0.232 0.000 1.192 639 A CA 0.124 52.262 52.037 0.167 0.000 0.851 639 A CB -0.024 19.026 19.000 0.083 0.000 0.881 639 A HN 0.336 nan 8.150 nan 0.000 0.494 640 N N -0.349 118.432 118.700 0.135 0.000 2.549 640 N HA 0.163 4.906 4.740 0.006 0.000 0.290 640 N C 0.144 175.535 175.510 -0.197 0.000 1.122 640 N CA -0.413 52.581 53.050 -0.092 0.000 0.885 640 N CB 1.236 39.690 38.487 -0.054 0.000 1.455 640 N HN 0.195 nan 8.380 nan 0.000 0.521 641 R N 2.571 122.691 120.500 -0.634 0.000 2.148 641 R HA -0.042 4.301 4.340 0.006 0.000 0.227 641 R C 1.635 177.791 176.300 -0.240 0.000 1.103 641 R CA 1.222 56.978 56.100 -0.572 0.000 0.983 641 R CB 0.278 29.935 30.300 -1.071 0.000 0.874 641 R HN 0.542 nan 8.270 nan 0.000 0.451 642 K N 0.385 120.658 120.400 -0.210 0.000 2.062 642 K HA -0.089 4.235 4.320 0.006 0.000 0.205 642 K C 1.873 178.567 176.600 0.157 0.000 1.051 642 K CA 0.927 57.186 56.287 -0.048 0.000 0.941 642 K CB 0.072 32.491 32.500 -0.136 0.000 0.719 642 K HN 0.049 nan 8.250 nan 0.000 0.440 643 I N 1.554 122.182 120.570 0.097 0.000 2.194 643 I HA -0.191 3.982 4.170 0.006 0.000 0.246 643 I C 2.504 178.713 176.117 0.154 0.000 1.093 643 I CA 1.770 63.175 61.300 0.174 0.000 1.355 643 I CB -1.860 36.198 38.000 0.097 0.000 1.046 643 I HN 0.368 nan 8.210 nan 0.000 0.413 644 G N -0.358 108.511 108.800 0.117 0.000 2.418 644 G HA2 -0.316 3.647 3.960 0.006 0.000 0.217 644 G HA3 -0.316 3.647 3.960 0.006 0.000 0.217 644 G C 1.653 176.527 174.900 -0.044 0.000 1.158 644 G CA 1.230 46.334 45.100 0.007 0.000 0.771 644 G HN 0.494 nan 8.290 nan 0.000 0.545 645 H N -0.207 118.918 119.070 0.091 0.000 2.290 645 H HA -0.052 4.507 4.556 0.005 0.000 0.298 645 H C 2.143 177.415 175.328 -0.093 0.000 1.087 645 H CA 1.954 58.002 56.048 0.000 0.000 1.291 645 H CB -0.257 29.454 29.762 -0.085 0.000 1.369 645 H HN 0.337 nan 8.280 nan 0.000 0.492 646 F N -0.598 119.492 119.950 0.234 0.000 2.293 646 F HA -0.025 4.506 4.527 0.008 0.000 0.297 646 F C 2.273 177.994 175.800 -0.131 0.000 1.089 646 F CA 0.554 58.596 58.000 0.069 0.000 1.377 646 F CB -0.425 38.706 39.000 0.217 0.000 1.051 646 F HN 0.220 nan 8.300 nan 0.000 0.511 647 L N -0.276 121.003 121.223 0.094 0.000 2.012 647 L HA -0.243 4.100 4.340 0.006 0.000 0.210 647 L C 2.278 179.036 176.870 -0.186 0.000 1.073 647 L CA 1.731 56.553 54.840 -0.030 0.000 0.748 647 L CB -1.147 40.853 42.059 -0.099 0.000 0.891 647 L HN 0.175 nan 8.230 nan 0.000 0.431 648 F N -0.903 118.777 119.950 -0.450 0.000 2.065 648 F HA -0.283 4.248 4.527 0.007 0.000 0.298 648 F C 1.941 177.435 175.800 -0.510 0.000 1.112 648 F CA 2.126 59.773 58.000 -0.589 0.000 1.212 648 F CB -0.716 37.771 39.000 -0.854 0.000 0.975 648 F HN 0.150 nan 8.300 nan 0.000 0.476 649 W N -0.351 120.793 121.300 -0.260 0.000 2.381 649 W HA -0.177 4.485 4.660 0.004 0.000 0.301 649 W C 2.752 179.146 176.519 -0.207 0.000 1.205 649 W CA 1.217 58.401 57.345 -0.269 0.000 1.285 649 W CB -0.694 28.636 29.460 -0.218 0.000 1.133 649 W HN 0.063 nan 8.180 nan 0.000 0.521 650 H N 0.168 119.305 119.070 0.111 0.000 2.353 650 H HA -0.169 4.391 4.556 0.006 0.000 0.298 650 H C 2.130 177.392 175.328 -0.110 0.000 1.103 650 H CA 1.740 57.799 56.048 0.018 0.000 1.293 650 H CB -0.974 28.779 29.762 -0.015 0.000 1.372 650 H HN 0.241 nan 8.280 nan 0.000 0.501 651 L N -0.134 120.966 121.223 -0.204 0.000 2.131 651 L HA -0.076 4.267 4.340 0.006 0.000 0.206 651 L C 2.736 179.528 176.870 -0.130 0.000 1.087 651 L CA 0.861 55.494 54.840 -0.345 0.000 0.767 651 L CB -0.216 41.523 42.059 -0.533 0.000 0.917 651 L HN 0.068 nan 8.230 nan 0.000 0.441 652 R N 0.920 121.187 120.500 -0.389 0.000 2.092 652 R HA -0.127 4.216 4.340 0.006 0.000 0.231 652 R C 2.444 178.768 176.300 0.040 0.000 1.119 652 R CA 1.710 57.603 56.100 -0.346 0.000 0.970 652 R CB -0.674 29.130 30.300 -0.828 0.000 0.864 652 R HN 0.416 nan 8.270 nan 0.000 0.440 653 S N -0.259 115.534 115.700 0.154 0.000 2.537 653 S HA -0.055 4.418 4.470 0.006 0.000 0.240 653 S C 0.756 175.535 174.600 0.300 0.000 0.981 653 S CA 1.021 59.368 58.200 0.245 0.000 0.948 653 S CB -0.168 63.181 63.200 0.248 0.000 0.759 653 S HN 0.506 nan 8.310 nan 0.000 0.531 654 E N -0.064 120.282 120.200 0.243 0.000 2.624 654 E HA 0.248 4.602 4.350 0.006 0.000 0.210 654 E C 0.574 177.160 176.600 -0.024 0.000 0.997 654 E CA -0.300 56.160 56.400 0.100 0.000 0.999 654 E CB 0.158 29.921 29.700 0.105 0.000 1.040 654 E HN 0.439 nan 8.360 nan 0.000 0.469 655 M N 1.010 120.686 119.600 0.126 0.000 2.549 655 M HA -0.084 4.399 4.480 0.006 0.000 0.260 655 M C 1.788 178.114 176.300 0.042 0.000 1.076 655 M CA 1.260 56.601 55.300 0.068 0.000 1.090 655 M CB -0.841 31.812 32.600 0.089 0.000 1.418 655 M HN 0.292 nan 8.290 nan 0.000 0.486 656 H N -1.157 117.922 119.070 0.015 0.000 2.539 656 H HA 0.258 4.817 4.556 0.005 0.000 0.269 656 H C -0.164 175.162 175.328 -0.002 0.000 0.980 656 H CA 0.049 56.105 56.048 0.012 0.000 1.152 656 H CB -0.540 29.235 29.762 0.023 0.000 1.407 656 H HN 0.070 nan 8.280 nan 0.000 0.564 657 V N 3.803 123.422 119.914 -0.491 0.000 2.304 657 V HA 0.128 4.252 4.120 0.006 0.000 0.269 657 V C -1.455 174.520 176.094 -0.199 0.000 1.036 657 V CA -1.234 60.837 62.300 -0.381 0.000 0.840 657 V CB 1.586 33.122 31.823 -0.479 0.000 1.036 657 V HN 0.100 nan 8.190 nan 0.000 0.466 658 P HA -0.192 nan 4.420 nan 0.000 0.217 658 P C 1.827 179.165 177.300 0.064 0.000 1.148 658 P CA 1.812 64.939 63.100 0.044 0.000 0.834 658 P CB 0.210 32.011 31.700 0.169 0.000 0.783 659 S N -1.515 114.149 115.700 -0.060 0.000 2.453 659 S HA -0.063 4.411 4.470 0.006 0.000 0.231 659 S C 1.629 176.071 174.600 -0.263 0.000 1.005 659 S CA 1.154 59.230 58.200 -0.206 0.000 0.949 659 S CB -1.238 61.605 63.200 -0.596 0.000 0.774 659 S HN 0.178 nan 8.310 nan 0.000 0.510 660 V N -2.736 116.956 119.914 -0.371 0.000 3.556 660 V HA 0.673 4.797 4.120 0.006 0.000 0.287 660 V C 2.193 178.011 176.094 -0.459 0.000 1.422 660 V CA 0.203 62.135 62.300 -0.613 0.000 1.038 660 V CB -0.578 30.493 31.823 -1.252 0.000 0.850 660 V HN 0.385 nan 8.190 nan 0.000 0.437 661 A N 1.498 124.180 122.820 -0.230 0.000 1.892 661 A HA -0.163 4.160 4.320 0.006 0.000 0.218 661 A C 2.068 179.664 177.584 0.020 0.000 1.188 661 A CA 2.480 54.468 52.037 -0.081 0.000 0.631 661 A CB -0.597 18.384 19.000 -0.031 0.000 0.822 661 A HN 0.644 nan 8.150 nan 0.000 0.447 662 L N -0.197 121.033 121.223 0.011 0.000 1.976 662 L HA -0.126 4.217 4.340 0.006 0.000 0.209 662 L C 2.488 179.318 176.870 -0.067 0.000 1.071 662 L CA 2.603 57.475 54.840 0.054 0.000 0.746 662 L CB -0.751 41.317 42.059 0.014 0.000 0.890 662 L HN 0.486 nan 8.230 nan 0.000 0.432 663 R N -1.364 119.069 120.500 -0.111 0.000 2.094 663 R HA -0.226 4.117 4.340 0.006 0.000 0.239 663 R C 2.282 178.632 176.300 0.085 0.000 1.137 663 R CA 2.222 58.253 56.100 -0.115 0.000 0.943 663 R CB -0.493 29.777 30.300 -0.049 0.000 0.850 663 R HN 0.350 nan 8.270 nan 0.000 0.433 664 F N 0.306 120.184 119.950 -0.119 0.000 2.134 664 F HA 0.025 4.555 4.527 0.005 0.000 0.299 664 F C 2.526 178.298 175.800 -0.048 0.000 1.097 664 F CA 1.179 59.127 58.000 -0.086 0.000 1.264 664 F CB -1.419 37.528 39.000 -0.088 0.000 1.001 664 F HN 0.245 nan 8.300 nan 0.000 0.479 665 G N 0.439 109.363 108.800 0.207 0.000 2.476 665 G HA2 -0.249 3.715 3.960 0.006 0.000 0.218 665 G HA3 -0.249 3.715 3.960 0.006 0.000 0.218 665 G C 1.905 176.919 174.900 0.190 0.000 1.164 665 G CA 1.038 46.296 45.100 0.264 0.000 0.768 665 G HN 0.340 nan 8.290 nan 0.000 0.560 666 L N -0.004 121.161 121.223 -0.097 0.000 2.046 666 L HA -0.053 4.291 4.340 0.006 0.000 0.208 666 L C 2.897 179.871 176.870 0.174 0.000 1.077 666 L CA 0.817 55.528 54.840 -0.215 0.000 0.747 666 L CB -0.388 41.317 42.059 -0.589 0.000 0.896 666 L HN 0.221 nan 8.230 nan 0.000 0.432 667 I N -0.833 119.824 120.570 0.146 0.000 2.252 667 I HA -0.314 3.860 4.170 0.006 0.000 0.245 667 I C 2.605 178.847 176.117 0.208 0.000 1.102 667 I CA 1.407 62.853 61.300 0.243 0.000 1.385 667 I CB -0.210 37.861 38.000 0.117 0.000 1.064 667 I HN 0.255 nan 8.210 nan 0.000 0.414 668 M N -0.040 119.648 119.600 0.147 0.000 2.175 668 M HA -0.219 4.264 4.480 0.006 0.000 0.264 668 M C 2.329 178.790 176.300 0.269 0.000 1.063 668 M CA 1.641 57.057 55.300 0.194 0.000 1.119 668 M CB -0.432 32.224 32.600 0.093 0.000 1.377 668 M HN 0.246 nan 8.290 nan 0.000 0.415 669 E N 0.722 121.065 120.200 0.239 0.000 2.038 669 E HA -0.227 4.126 4.350 0.006 0.000 0.195 669 E C 1.956 178.668 176.600 0.187 0.000 1.000 669 E CA 1.543 58.078 56.400 0.225 0.000 0.803 669 E CB -0.032 29.820 29.700 0.253 0.000 0.750 669 E HN 0.450 nan 8.360 nan 0.000 0.448 670 A N 0.651 123.590 122.820 0.197 0.000 1.884 670 A HA -0.266 4.057 4.320 0.006 0.000 0.219 670 A C 2.138 179.814 177.584 0.153 0.000 1.197 670 A CA 1.919 54.045 52.037 0.149 0.000 0.637 670 A CB -1.329 17.757 19.000 0.143 0.000 0.827 670 A HN 0.640 nan 8.150 nan 0.000 0.450 671 Y N 0.308 120.675 120.300 0.113 0.000 2.081 671 Y HA -0.352 4.201 4.550 0.005 0.000 0.280 671 Y C 2.673 178.621 175.900 0.079 0.000 1.163 671 Y CA 1.743 59.904 58.100 0.102 0.000 1.135 671 Y CB -0.904 37.625 38.460 0.114 0.000 0.970 671 Y HN 0.406 nan 8.280 nan 0.000 0.498 672 C N 0.864 120.210 119.300 0.076 0.000 2.413 672 C HA -0.188 4.276 4.460 0.006 0.000 0.277 672 C C 2.661 177.609 174.990 -0.070 0.000 1.265 672 C CA 1.100 60.104 59.018 -0.023 0.000 1.752 672 C CB -1.147 26.635 27.740 0.070 0.000 1.998 672 C HN 0.524 nan 8.230 nan 0.000 0.489 673 R N 0.752 121.238 120.500 -0.024 0.000 2.105 673 R HA -0.081 4.263 4.340 0.006 0.000 0.239 673 R C 2.327 178.579 176.300 -0.081 0.000 1.135 673 R CA 1.639 57.722 56.100 -0.029 0.000 0.967 673 R CB -1.412 28.889 30.300 0.002 0.000 0.861 673 R HN 0.628 nan 8.270 nan 0.000 0.442 674 G N -0.687 108.027 108.800 -0.143 0.000 2.650 674 G HA2 -0.096 3.868 3.960 0.006 0.000 0.214 674 G HA3 -0.096 3.868 3.960 0.006 0.000 0.214 674 G C 0.232 174.990 174.900 -0.238 0.000 1.136 674 G CA 0.365 45.346 45.100 -0.198 0.000 0.789 674 G HN 0.284 nan 8.290 nan 0.000 0.536 675 S N -1.154 114.392 115.700 -0.258 0.000 2.382 675 S HA 0.341 4.814 4.470 0.006 0.000 0.228 675 S C 0.924 175.493 174.600 -0.052 0.000 0.996 675 S CA -0.222 57.896 58.200 -0.136 0.000 1.094 675 S CB 0.497 63.628 63.200 -0.115 0.000 1.209 675 S HN 0.024 nan 8.310 nan 0.000 0.420 676 T N 3.469 118.024 114.554 0.001 0.000 2.821 676 T HA -0.098 4.255 4.350 0.006 0.000 0.267 676 T C 1.622 176.359 174.700 0.063 0.000 1.046 676 T CA 1.315 63.427 62.100 0.020 0.000 1.139 676 T CB -0.421 68.461 68.868 0.023 0.000 0.871 676 T HN 0.791 nan 8.240 nan 0.000 0.454 677 H N 0.731 119.826 119.070 0.041 0.000 2.293 677 H HA -0.118 4.442 4.556 0.007 0.000 0.300 677 H C 2.248 177.653 175.328 0.129 0.000 1.082 677 H CA 1.881 57.978 56.048 0.081 0.000 1.308 677 H CB -0.456 29.370 29.762 0.106 0.000 1.375 677 H HN 0.533 nan 8.280 nan 0.000 0.495 678 H N 0.076 119.211 119.070 0.109 0.000 2.421 678 H HA -0.130 4.429 4.556 0.005 0.000 0.298 678 H C 2.639 177.922 175.328 -0.075 0.000 1.087 678 H CA 1.038 57.116 56.048 0.050 0.000 1.330 678 H CB 0.072 29.916 29.762 0.137 0.000 1.388 678 H HN 0.391 nan 8.280 nan 0.000 0.526 679 M N 0.945 120.496 119.600 -0.083 0.000 2.080 679 M HA -0.213 4.270 4.480 0.006 0.000 0.260 679 M C 1.814 177.999 176.300 -0.192 0.000 1.068 679 M CA 1.884 57.072 55.300 -0.188 0.000 1.109 679 M CB -0.017 32.526 32.600 -0.095 0.000 1.342 679 M HN 0.114 nan 8.290 nan 0.000 0.405 680 K N -0.360 119.953 120.400 -0.145 0.000 2.097 680 K HA -0.072 4.251 4.320 0.006 0.000 0.205 680 K C 1.814 178.331 176.600 -0.139 0.000 1.050 680 K CA 1.374 57.577 56.287 -0.139 0.000 0.938 680 K CB -0.197 32.216 32.500 -0.145 0.000 0.718 680 K HN 0.261 nan 8.250 nan 0.000 0.442 681 V N 1.770 121.594 119.914 -0.149 0.000 2.343 681 V HA -0.227 3.896 4.120 0.006 0.000 0.247 681 V C 2.132 178.192 176.094 -0.056 0.000 1.051 681 V CA 1.580 63.856 62.300 -0.041 0.000 1.036 681 V CB -0.391 31.510 31.823 0.130 0.000 0.654 681 V HN 0.266 nan 8.190 nan 0.000 0.451 682 L N -1.218 119.862 121.223 -0.239 0.000 2.093 682 L HA -0.200 4.143 4.340 0.006 0.000 0.208 682 L C 2.535 179.282 176.870 -0.204 0.000 1.085 682 L CA 1.621 56.227 54.840 -0.389 0.000 0.755 682 L CB -0.486 40.934 42.059 -1.064 0.000 0.904 682 L HN 0.301 nan 8.230 nan 0.000 0.435 683 M N -0.325 119.173 119.600 -0.170 0.000 2.108 683 M HA -0.234 4.249 4.480 0.006 0.000 0.261 683 M C 2.352 178.656 176.300 0.006 0.000 1.066 683 M CA 1.606 56.870 55.300 -0.061 0.000 1.107 683 M CB -0.340 32.227 32.600 -0.055 0.000 1.356 683 M HN 0.035 nan 8.290 nan 0.000 0.406 684 K N 0.896 121.298 120.400 0.003 0.000 2.074 684 K HA -0.208 4.115 4.320 0.006 0.000 0.209 684 K C 1.760 178.405 176.600 0.074 0.000 1.048 684 K CA 1.891 58.200 56.287 0.036 0.000 0.926 684 K CB -0.285 32.237 32.500 0.037 0.000 0.713 684 K HN 0.404 nan 8.250 nan 0.000 0.444 685 Q N -0.968 118.904 119.800 0.121 0.000 2.084 685 Q HA -0.039 4.305 4.340 0.006 0.000 0.202 685 Q C 2.191 178.332 176.000 0.236 0.000 0.978 685 Q CA 1.512 57.431 55.803 0.193 0.000 0.844 685 Q CB -0.400 28.544 28.738 0.344 0.000 0.898 685 Q HN 0.558 nan 8.270 nan 0.000 0.426 686 G N 0.983 109.959 108.800 0.292 0.000 2.442 686 G HA2 -0.280 3.683 3.960 0.006 0.000 0.219 686 G HA3 -0.280 3.683 3.960 0.006 0.000 0.219 686 G C 1.029 176.014 174.900 0.142 0.000 1.141 686 G CA 0.836 46.109 45.100 0.287 0.000 0.763 686 G HN 0.338 nan 8.290 nan 0.000 0.554 687 E N 0.482 120.730 120.200 0.081 0.000 2.106 687 E HA 0.014 4.367 4.350 0.006 0.000 0.192 687 E C 2.889 179.481 176.600 -0.015 0.000 0.984 687 E CA 0.749 57.160 56.400 0.020 0.000 0.806 687 E CB -0.156 29.546 29.700 0.004 0.000 0.750 687 E HN 0.422 nan 8.360 nan 0.000 0.458 688 A N 1.032 123.859 122.820 0.012 0.000 1.898 688 A HA -0.127 4.196 4.320 0.006 0.000 0.216 688 A C 2.168 179.723 177.584 -0.048 0.000 1.181 688 A CA 0.965 52.994 52.037 -0.013 0.000 0.620 688 A CB -0.546 18.469 19.000 0.026 0.000 0.819 688 A HN 0.124 nan 8.150 nan 0.000 0.442 689 L N -0.681 120.550 121.223 0.013 0.000 2.141 689 L HA -0.132 4.211 4.340 0.006 0.000 0.209 689 L C 2.882 179.741 176.870 -0.019 0.000 1.094 689 L CA 1.325 56.177 54.840 0.020 0.000 0.763 689 L CB -0.384 41.766 42.059 0.152 0.000 0.908 689 L HN 0.494 nan 8.230 nan 0.000 0.437 690 S N -0.231 115.472 115.700 0.005 0.000 2.356 690 S HA -0.177 4.296 4.470 0.006 0.000 0.223 690 S C 2.165 176.707 174.600 -0.097 0.000 1.032 690 S CA 1.217 59.410 58.200 -0.013 0.000 1.005 690 S CB -0.003 63.193 63.200 -0.006 0.000 0.867 690 S HN 0.234 nan 8.310 nan 0.000 0.449 691 K N 0.992 121.287 120.400 -0.175 0.000 2.057 691 K HA 0.024 4.348 4.320 0.006 0.000 0.207 691 K C 2.141 178.650 176.600 -0.152 0.000 1.049 691 K CA 1.078 57.198 56.287 -0.279 0.000 0.931 691 K CB -0.850 31.387 32.500 -0.437 0.000 0.714 691 K HN 0.439 nan 8.250 nan 0.000 0.440 692 L N 0.964 121.999 121.223 -0.314 0.000 2.083 692 L HA -0.193 4.150 4.340 0.006 0.000 0.209 692 L C 2.506 178.956 176.870 -0.699 0.000 1.083 692 L CA 1.064 55.520 54.840 -0.640 0.000 0.752 692 L CB -0.444 40.900 42.059 -1.193 0.000 0.899 692 L HN 0.064 nan 8.230 nan 0.000 0.433 693 K N 0.938 121.072 120.400 -0.444 0.000 2.009 693 K HA -0.149 4.174 4.320 0.006 0.000 0.210 693 K C 2.053 178.703 176.600 0.083 0.000 1.049 693 K CA 1.903 58.217 56.287 0.046 0.000 0.929 693 K CB -0.601 32.003 32.500 0.173 0.000 0.714 693 K HN 0.195 nan 8.250 nan 0.000 0.440 694 A N 0.556 123.412 122.820 0.060 0.000 1.908 694 A HA -0.130 4.193 4.320 0.006 0.000 0.218 694 A C 2.206 179.895 177.584 0.176 0.000 1.181 694 A CA 1.748 53.859 52.037 0.124 0.000 0.627 694 A CB -0.742 18.338 19.000 0.133 0.000 0.818 694 A HN 0.375 nan 8.150 nan 0.000 0.445 695 L N 0.164 121.493 121.223 0.177 0.000 2.056 695 L HA -0.115 4.228 4.340 0.006 0.000 0.207 695 L C 2.048 179.013 176.870 0.159 0.000 1.078 695 L CA 2.215 57.154 54.840 0.165 0.000 0.749 695 L CB -0.689 41.452 42.059 0.137 0.000 0.901 695 L HN 0.407 nan 8.230 nan 0.000 0.433 696 N N -0.110 118.665 118.700 0.125 0.000 2.166 696 N HA -0.197 4.546 4.740 0.006 0.000 0.186 696 N C 1.441 177.014 175.510 0.105 0.000 1.019 696 N CA 1.497 54.642 53.050 0.158 0.000 0.856 696 N CB -0.179 38.514 38.487 0.342 0.000 0.993 696 N HN 0.388 nan 8.380 nan 0.000 0.426 697 D N -0.320 120.154 120.400 0.123 0.000 2.123 697 D HA -0.156 4.487 4.640 0.006 0.000 0.196 697 D C 1.674 178.000 176.300 0.044 0.000 0.992 697 D CA 0.592 54.640 54.000 0.080 0.000 0.833 697 D CB -0.540 40.318 40.800 0.097 0.000 0.954 697 D HN 0.319 nan 8.370 nan 0.000 0.455 698 F N 1.476 121.411 119.950 -0.026 0.000 2.102 698 F HA -0.209 4.322 4.527 0.007 0.000 0.298 698 F C 2.172 177.900 175.800 -0.120 0.000 1.105 698 F CA 1.037 59.001 58.000 -0.060 0.000 1.239 698 F CB -0.461 38.499 39.000 -0.067 0.000 0.991 698 F HN -0.210 nan 8.300 nan 0.000 0.474 699 V N 1.024 120.745 119.914 -0.322 0.000 2.287 699 V HA -0.357 3.766 4.120 0.006 0.000 0.248 699 V C 2.464 178.227 176.094 -0.552 0.000 1.053 699 V CA 2.442 64.404 62.300 -0.563 0.000 1.027 699 V CB -0.759 30.800 31.823 -0.439 0.000 0.646 699 V HN 0.315 nan 8.190 nan 0.000 0.447 700 K N -0.463 119.751 120.400 -0.310 0.000 2.020 700 K HA -0.197 4.126 4.320 0.006 0.000 0.212 700 K C 2.022 178.478 176.600 -0.241 0.000 1.050 700 K CA 1.853 58.012 56.287 -0.213 0.000 0.929 700 K CB -0.536 31.906 32.500 -0.097 0.000 0.714 700 K HN 0.338 nan 8.250 nan 0.000 0.443 701 V N 0.574 120.325 119.914 -0.272 0.000 2.295 701 V HA -0.259 3.864 4.120 0.006 0.000 0.246 701 V C 2.399 178.297 176.094 -0.326 0.000 1.049 701 V CA 2.108 64.261 62.300 -0.246 0.000 1.024 701 V CB -0.448 31.257 31.823 -0.196 0.000 0.648 701 V HN 0.393 nan 8.190 nan 0.000 0.447 702 S N 0.460 115.809 115.700 -0.585 0.000 2.382 702 S HA -0.190 4.283 4.470 0.006 0.000 0.228 702 S C 2.281 176.694 174.600 -0.313 0.000 1.027 702 S CA 1.921 59.795 58.200 -0.544 0.000 0.991 702 S CB -0.423 62.196 63.200 -0.968 0.000 0.823 702 S HN 0.820 nan 8.310 nan 0.000 0.469 703 S N 0.729 116.236 115.700 -0.321 0.000 2.419 703 S HA -0.108 4.365 4.470 0.006 0.000 0.233 703 S C 1.589 176.140 174.600 -0.081 0.000 1.016 703 S CA 0.982 59.088 58.200 -0.156 0.000 0.974 703 S CB -0.637 62.478 63.200 -0.141 0.000 0.786 703 S HN 0.745 nan 8.310 nan 0.000 0.492 704 Q N 0.152 119.890 119.800 -0.102 0.000 2.444 704 Q HA 0.259 4.603 4.340 0.006 0.000 0.206 704 Q C 1.388 177.354 176.000 -0.055 0.000 0.948 704 Q CA 0.460 56.225 55.803 -0.063 0.000 0.946 704 Q CB 0.048 28.750 28.738 -0.060 0.000 1.027 704 Q HN 0.551 nan 8.270 nan 0.000 0.513 705 K N -1.142 119.217 120.400 -0.069 0.000 2.502 705 K HA 0.161 4.484 4.320 0.006 0.000 0.211 705 K C 0.141 176.721 176.600 -0.033 0.000 1.259 705 K CA 0.275 56.532 56.287 -0.050 0.000 0.983 705 K CB 1.536 34.000 32.500 -0.060 0.000 1.054 705 K HN -0.059 nan 8.250 nan 0.000 0.572 706 T N -0.491 114.044 114.554 -0.032 0.000 2.711 706 T HA 0.156 4.510 4.350 0.006 0.000 0.302 706 T C -1.285 173.419 174.700 0.007 0.000 1.373 706 T CA -0.627 61.467 62.100 -0.011 0.000 1.000 706 T CB 1.186 70.050 68.868 -0.007 0.000 1.483 706 T HN 0.157 nan 8.240 nan 0.000 0.499 707 T N 0.366 114.929 114.554 0.016 0.000 2.898 707 T HA 0.313 4.666 4.350 0.006 0.000 0.301 707 T C 1.301 176.035 174.700 0.056 0.000 1.049 707 T CA -0.141 61.974 62.100 0.025 0.000 1.095 707 T CB 0.887 69.762 68.868 0.011 0.000 0.976 707 T HN 0.779 nan 8.240 nan 0.000 0.539 708 K N 1.746 122.183 120.400 0.063 0.000 2.032 708 K HA -0.042 4.282 4.320 0.006 0.000 0.209 708 K C -0.773 175.865 176.600 0.064 0.000 1.048 708 K CA 1.202 57.552 56.287 0.105 0.000 0.927 708 K CB -1.186 31.295 32.500 -0.032 0.000 0.712 708 K HN 0.457 nan 8.250 nan 0.000 0.441 709 P HA -0.199 nan 4.420 nan 0.000 0.216 709 P C 0.896 178.206 177.300 0.016 0.000 1.154 709 P CA 1.615 64.712 63.100 -0.006 0.000 0.865 709 P CB -0.031 31.663 31.700 -0.011 0.000 0.789 710 Q N -1.327 118.493 119.800 0.034 0.000 2.046 710 Q HA -0.086 4.257 4.340 0.006 0.000 0.200 710 Q C 2.225 178.267 176.000 0.069 0.000 0.975 710 Q CA 1.845 57.672 55.803 0.041 0.000 0.836 710 Q CB -0.821 27.938 28.738 0.033 0.000 0.896 710 Q HN 0.221 nan 8.270 nan 0.000 0.428 711 T N 1.143 115.754 114.554 0.095 0.000 2.720 711 T HA -0.195 4.158 4.350 0.006 0.000 0.268 711 T C 1.670 176.476 174.700 0.176 0.000 1.037 711 T CA 1.424 63.588 62.100 0.107 0.000 1.144 711 T CB -0.124 68.769 68.868 0.041 0.000 0.864 711 T HN 0.221 nan 8.240 nan 0.000 0.444 712 K N 0.663 121.178 120.400 0.191 0.000 2.025 712 K HA -0.152 4.171 4.320 0.006 0.000 0.207 712 K C 2.373 178.800 176.600 -0.289 0.000 1.049 712 K CA 1.394 57.689 56.287 0.013 0.000 0.933 712 K CB -0.072 32.388 32.500 -0.067 0.000 0.714 712 K HN 0.081 nan 8.250 nan 0.000 0.438 713 E N 0.611 120.723 120.200 -0.148 0.000 2.077 713 E HA -0.163 4.191 4.350 0.006 0.000 0.193 713 E C 1.873 178.463 176.600 -0.018 0.000 0.989 713 E CA 1.503 57.850 56.400 -0.089 0.000 0.800 713 E CB -0.037 29.657 29.700 -0.008 0.000 0.746 713 E HN 0.257 nan 8.360 nan 0.000 0.452 714 M N -0.395 119.230 119.600 0.041 0.000 2.175 714 M HA -0.087 4.397 4.480 0.006 0.000 0.264 714 M C 2.398 178.678 176.300 -0.032 0.000 1.063 714 M CA 1.331 56.662 55.300 0.051 0.000 1.119 714 M CB -0.981 31.782 32.600 0.271 0.000 1.377 714 M HN 0.320 nan 8.290 nan 0.000 0.415 715 M N -0.211 119.447 119.600 0.095 0.000 2.080 715 M HA -0.259 4.224 4.480 0.006 0.000 0.260 715 M C 2.123 178.453 176.300 0.050 0.000 1.068 715 M CA 1.927 57.268 55.300 0.069 0.000 1.109 715 M CB -0.457 32.231 32.600 0.148 0.000 1.342 715 M HN 0.329 nan 8.290 nan 0.000 0.405 716 H N -0.343 118.720 119.070 -0.012 0.000 2.319 716 H HA -0.185 4.374 4.556 0.005 0.000 0.299 716 H C 2.194 177.465 175.328 -0.095 0.000 1.092 716 H CA 1.792 57.814 56.048 -0.042 0.000 1.302 716 H CB -0.216 29.542 29.762 -0.007 0.000 1.373 716 H HN 0.466 nan 8.280 nan 0.000 0.497 717 M N -0.139 119.473 119.600 0.020 0.000 2.108 717 M HA -0.222 4.262 4.480 0.006 0.000 0.261 717 M C 2.840 179.032 176.300 -0.181 0.000 1.066 717 M CA 1.004 56.260 55.300 -0.073 0.000 1.107 717 M CB -0.428 32.121 32.600 -0.084 0.000 1.356 717 M HN 0.404 nan 8.290 nan 0.000 0.406 718 C N 1.057 120.173 119.300 -0.307 0.000 2.413 718 C HA -0.177 4.286 4.460 0.006 0.000 0.276 718 C C 2.772 177.402 174.990 -0.601 0.000 1.236 718 C CA 1.131 59.830 59.018 -0.533 0.000 1.735 718 C CB -0.717 26.596 27.740 -0.712 0.000 2.031 718 C HN 0.538 nan 8.230 nan 0.000 0.474 719 M N -0.417 118.964 119.600 -0.366 0.000 2.213 719 M HA -0.093 4.391 4.480 0.006 0.000 0.263 719 M C 2.204 178.456 176.300 -0.080 0.000 1.062 719 M CA 1.454 56.633 55.300 -0.201 0.000 1.105 719 M CB -0.508 32.049 32.600 -0.071 0.000 1.385 719 M HN 0.358 nan 8.290 nan 0.000 0.417 720 R N 0.197 120.644 120.500 -0.088 0.000 2.313 720 R HA 0.082 4.425 4.340 0.006 0.000 0.199 720 R C 0.258 176.547 176.300 -0.019 0.000 0.958 720 R CA 0.055 56.130 56.100 -0.043 0.000 1.047 720 R CB 0.007 30.282 30.300 -0.041 0.000 0.955 720 R HN 0.526 nan 8.270 nan 0.000 0.481 721 Q N 0.691 120.475 119.800 -0.026 0.000 2.361 721 Q HA -0.066 4.278 4.340 0.006 0.000 0.276 721 Q C 0.668 176.718 176.000 0.084 0.000 1.022 721 Q CA 0.227 56.048 55.803 0.029 0.000 0.898 721 Q CB 0.779 29.549 28.738 0.053 0.000 1.246 721 Q HN 0.202 nan 8.270 nan 0.000 0.410 722 E N 0.670 120.907 120.200 0.062 0.000 2.070 722 E HA -0.259 4.095 4.350 0.006 0.000 0.197 722 E C 1.930 178.572 176.600 0.070 0.000 1.004 722 E CA 2.015 58.449 56.400 0.057 0.000 0.805 722 E CB -0.056 29.668 29.700 0.040 0.000 0.744 722 E HN 0.830 nan 8.360 nan 0.000 0.451 723 T N -1.162 113.439 114.554 0.080 0.000 2.759 723 T HA -0.219 4.134 4.350 0.006 0.000 0.269 723 T C 1.768 176.470 174.700 0.003 0.000 1.042 723 T CA 1.256 63.377 62.100 0.034 0.000 1.140 723 T CB -0.522 68.357 68.868 0.018 0.000 0.864 723 T HN 0.163 nan 8.240 nan 0.000 0.455 724 Y N 0.780 121.066 120.300 -0.023 0.000 2.243 724 Y HA 0.180 4.736 4.550 0.009 0.000 0.293 724 Y C 2.855 178.738 175.900 -0.029 0.000 1.124 724 Y CA 0.715 58.796 58.100 -0.031 0.000 1.159 724 Y CB -0.343 38.090 38.460 -0.045 0.000 1.008 724 Y HN 0.042 nan 8.280 nan 0.000 0.527 725 M N -0.146 119.532 119.600 0.131 0.000 2.108 725 M HA -0.235 4.248 4.480 0.006 0.000 0.261 725 M C 2.072 178.391 176.300 0.032 0.000 1.066 725 M CA 1.571 56.903 55.300 0.053 0.000 1.107 725 M CB -0.912 31.710 32.600 0.037 0.000 1.356 725 M HN 0.315 nan 8.290 nan 0.000 0.406 726 E N -0.132 120.094 120.200 0.042 0.000 2.072 726 E HA -0.050 4.304 4.350 0.006 0.000 0.190 726 E C 2.000 178.617 176.600 0.028 0.000 0.982 726 E CA 1.216 57.645 56.400 0.047 0.000 0.803 726 E CB 0.120 29.847 29.700 0.045 0.000 0.755 726 E HN 0.425 nan 8.360 nan 0.000 0.453 727 A N 0.955 123.770 122.820 -0.008 0.000 1.933 727 A HA -0.105 4.219 4.320 0.006 0.000 0.218 727 A C 2.201 179.784 177.584 -0.002 0.000 1.175 727 A CA 0.946 52.963 52.037 -0.033 0.000 0.628 727 A CB -0.466 18.458 19.000 -0.127 0.000 0.814 727 A HN 0.222 nan 8.150 nan 0.000 0.444 728 L N -0.374 120.860 121.223 0.018 0.000 2.509 728 L HA 0.088 4.431 4.340 0.006 0.000 0.222 728 L C 0.317 177.262 176.870 0.126 0.000 1.123 728 L CA -0.104 54.781 54.840 0.075 0.000 0.856 728 L CB -0.007 42.097 42.059 0.075 0.000 0.985 728 L HN 0.148 nan 8.230 nan 0.000 0.456 729 S N -1.641 114.061 115.700 0.003 0.000 2.593 729 S HA 0.412 4.885 4.470 0.006 0.000 0.297 729 S C -0.475 174.007 174.600 -0.197 0.000 1.112 729 S CA -0.453 57.640 58.200 -0.179 0.000 1.043 729 S CB 0.842 63.742 63.200 -0.500 0.000 1.054 729 S HN 0.420 nan 8.310 nan 0.000 0.516 730 H N -0.549 118.559 119.070 0.063 0.000 2.982 730 H HA -0.117 4.442 4.556 0.003 0.000 0.336 730 H C -0.675 174.652 175.328 -0.003 0.000 1.302 730 H CA 0.448 56.507 56.048 0.018 0.000 1.204 730 H CB -1.971 27.813 29.762 0.036 0.000 1.502 730 H HN 0.509 nan 8.280 nan 0.000 0.446 731 L N -2.565 118.665 121.223 0.012 0.000 2.327 731 L HA 0.608 4.952 4.340 0.006 0.000 0.258 731 L C -0.069 176.772 176.870 -0.049 0.000 1.024 731 L CA -1.414 53.428 54.840 0.003 0.000 0.825 731 L CB 1.885 43.944 42.059 0.000 0.000 1.386 731 L HN 0.078 nan 8.230 nan 0.000 0.417 732 Q N 1.104 120.909 119.800 0.008 0.000 2.314 732 Q HA 0.241 4.584 4.340 0.006 0.000 0.258 732 Q C -0.105 175.880 176.000 -0.025 0.000 0.954 732 Q CA -0.228 55.569 55.803 -0.010 0.000 0.890 732 Q CB 1.497 30.283 28.738 0.080 0.000 1.210 732 Q HN 0.715 nan 8.270 nan 0.000 0.410 733 S N 2.965 118.614 115.700 -0.085 0.000 2.516 733 S HA 0.077 4.551 4.470 0.006 0.000 0.282 733 S C -1.761 172.836 174.600 -0.005 0.000 1.286 733 S CA -1.319 56.833 58.200 -0.080 0.000 1.066 733 S CB 0.495 63.639 63.200 -0.094 0.000 0.884 733 S HN 0.391 nan 8.310 nan 0.000 0.491 734 P HA -0.046 nan 4.420 nan 0.000 0.221 734 P C 1.032 178.341 177.300 0.016 0.000 1.145 734 P CA 0.939 63.978 63.100 -0.102 0.000 0.795 734 P CB 0.075 31.404 31.700 -0.617 0.000 0.775 735 L N -1.792 119.451 121.223 0.033 0.000 2.291 735 L HA 0.003 4.346 4.340 0.006 0.000 0.214 735 L C 0.476 177.522 176.870 0.294 0.000 1.120 735 L CA 0.881 55.826 54.840 0.174 0.000 0.799 735 L CB -0.247 41.877 42.059 0.108 0.000 0.925 735 L HN 0.009 nan 8.230 nan 0.000 0.446 736 D N -1.498 118.961 120.400 0.099 0.000 2.251 736 D HA 0.066 4.709 4.640 0.006 0.000 0.210 736 D C -2.251 173.957 176.300 -0.153 0.000 1.304 736 D CA -1.079 52.965 54.000 0.074 0.000 0.912 736 D CB 1.271 42.127 40.800 0.094 0.000 1.553 736 D HN -0.271 nan 8.370 nan 0.000 0.526 737 P HA -0.079 nan 4.420 nan 0.000 0.230 737 P C 0.986 178.242 177.300 -0.074 0.000 1.158 737 P CA 0.582 63.474 63.100 -0.346 0.000 0.769 737 P CB 0.161 31.529 31.700 -0.552 0.000 0.807 738 S N -2.226 113.457 115.700 -0.027 0.000 2.562 738 S HA 0.033 4.507 4.470 0.006 0.000 0.221 738 S C 0.888 175.470 174.600 -0.030 0.000 0.975 738 S CA 0.047 58.283 58.200 0.061 0.000 0.918 738 S CB -1.236 62.018 63.200 0.090 0.000 0.772 738 S HN 0.002 nan 8.310 nan 0.000 0.531 739 T N 3.585 118.101 114.554 -0.063 0.000 2.749 739 T HA 0.463 4.816 4.350 0.006 0.000 0.295 739 T C -0.291 174.320 174.700 -0.148 0.000 0.936 739 T CA -0.387 61.656 62.100 -0.095 0.000 1.060 739 T CB 0.650 69.477 68.868 -0.069 0.000 0.904 739 T HN 0.272 nan 8.240 nan 0.000 0.500 740 L N 4.505 125.619 121.223 -0.182 0.000 2.276 740 L HA 0.460 4.803 4.340 0.006 0.000 0.286 740 L C -0.108 176.633 176.870 -0.215 0.000 1.061 740 L CA -0.735 53.982 54.840 -0.205 0.000 0.807 740 L CB 0.748 42.670 42.059 -0.228 0.000 1.177 740 L HN 0.419 nan 8.230 nan 0.000 0.429 741 L N 4.019 125.058 121.223 -0.307 0.000 2.272 741 L HA 0.288 4.631 4.340 0.006 0.000 0.284 741 L C 0.667 177.354 176.870 -0.305 0.000 1.045 741 L CA -0.389 54.089 54.840 -0.603 0.000 0.842 741 L CB 1.017 42.359 42.059 -1.195 0.000 1.224 741 L HN 0.666 nan 8.230 nan 0.000 0.430 742 E N 2.649 122.820 120.200 -0.048 0.000 2.081 742 E HA 0.069 4.422 4.350 0.006 0.000 0.213 742 E C 0.224 176.845 176.600 0.036 0.000 0.921 742 E CA 0.396 56.857 56.400 0.102 0.000 0.936 742 E CB 0.219 30.011 29.700 0.152 0.000 0.981 742 E HN 0.540 nan 8.360 nan 0.000 0.502 743 E N 1.927 122.193 120.200 0.110 0.000 2.156 743 E HA 0.262 4.615 4.350 0.006 0.000 0.279 743 E C -0.027 176.598 176.600 0.042 0.000 0.965 743 E CA -0.537 55.874 56.400 0.019 0.000 0.789 743 E CB 2.070 31.783 29.700 0.022 0.000 1.098 743 E HN -0.070 nan 8.360 nan 0.000 0.397 744 V N 2.996 122.843 119.914 -0.113 0.000 2.599 744 V HA -0.070 4.053 4.120 0.006 0.000 0.300 744 V C -0.380 175.554 176.094 -0.266 0.000 1.034 744 V CA -0.273 61.750 62.300 -0.461 0.000 1.115 744 V CB 0.054 31.614 31.823 -0.438 0.000 0.934 744 V HN 0.852 nan 8.190 nan 0.000 0.485 745 C N 7.359 126.494 119.300 -0.275 0.000 2.116 745 C HA 0.247 4.710 4.460 0.006 0.000 0.367 745 C C 1.697 176.574 174.990 -0.188 0.000 1.039 745 C CA -0.822 58.098 59.018 -0.163 0.000 1.465 745 C CB -0.950 26.733 27.740 -0.096 0.000 1.783 745 C HN 0.843 nan 8.230 nan 0.000 0.470 746 V N 2.204 121.988 119.914 -0.216 0.000 2.380 746 V HA -0.206 3.917 4.120 0.006 0.000 0.251 746 V C 2.547 178.317 176.094 -0.540 0.000 1.063 746 V CA 2.177 64.290 62.300 -0.313 0.000 1.055 746 V CB -0.348 31.301 31.823 -0.290 0.000 0.657 746 V HN 0.823 nan 8.190 nan 0.000 0.455 747 E N 0.091 120.066 120.200 -0.374 0.000 2.204 747 E HA -0.183 4.171 4.350 0.006 0.000 0.194 747 E C 2.079 178.604 176.600 -0.125 0.000 0.989 747 E CA 1.112 57.319 56.400 -0.321 0.000 0.824 747 E CB -0.127 29.495 29.700 -0.130 0.000 0.756 747 E HN 0.688 nan 8.360 nan 0.000 0.477 748 Q N -1.102 118.658 119.800 -0.067 0.000 2.280 748 Q HA 0.175 4.519 4.340 0.006 0.000 0.201 748 Q C -0.347 175.745 176.000 0.154 0.000 0.890 748 Q CA -0.283 55.553 55.803 0.055 0.000 0.947 748 Q CB 0.626 29.402 28.738 0.065 0.000 1.081 748 Q HN 0.184 nan 8.270 nan 0.000 0.502 749 C N 0.379 119.758 119.300 0.133 0.000 2.466 749 C HA 0.599 5.062 4.460 0.006 0.000 0.379 749 C C 0.883 176.107 174.990 0.389 0.000 1.251 749 C CA -0.285 58.891 59.018 0.262 0.000 2.263 749 C CB 0.948 28.783 27.740 0.158 0.000 2.511 749 C HN 0.324 nan 8.230 nan 0.000 0.573 750 T N 0.569 115.328 114.554 0.342 0.000 2.612 750 T HA 0.778 5.131 4.350 0.006 0.000 0.296 750 T C -1.782 173.124 174.700 0.345 0.000 1.148 750 T CA -0.363 61.879 62.100 0.236 0.000 1.077 750 T CB 0.881 69.734 68.868 -0.025 0.000 1.591 750 T HN 0.794 nan 8.240 nan 0.000 0.479 751 F N 0.058 120.066 119.950 0.096 0.000 2.645 751 F HA 0.831 5.361 4.527 0.006 0.000 0.310 751 F C -0.926 174.907 175.800 0.055 0.000 1.102 751 F CA -1.335 56.734 58.000 0.114 0.000 0.952 751 F CB 1.235 40.290 39.000 0.092 0.000 1.326 751 F HN 0.493 nan 8.300 nan 0.000 0.456 752 M N 1.663 121.378 119.600 0.192 0.000 2.471 752 M HA 0.301 4.784 4.480 0.006 0.000 0.309 752 M C -0.082 176.291 176.300 0.122 0.000 1.186 752 M CA -0.657 54.667 55.300 0.040 0.000 1.008 752 M CB 1.145 33.795 32.600 0.082 0.000 1.551 752 M HN 0.642 nan 8.290 nan 0.000 0.477 753 D N 0.235 120.649 120.400 0.024 0.000 2.348 753 D HA 0.008 4.652 4.640 0.006 0.000 0.211 753 D C 0.814 177.159 176.300 0.075 0.000 0.998 753 D CA 0.389 54.422 54.000 0.054 0.000 0.873 753 D CB 0.093 40.882 40.800 -0.018 0.000 0.925 753 D HN 0.638 nan 8.370 nan 0.000 0.524 754 S N 0.304 116.046 115.700 0.069 0.000 2.580 754 S HA -0.013 4.461 4.470 0.006 0.000 0.261 754 S C 1.381 176.023 174.600 0.070 0.000 1.366 754 S CA -0.450 57.788 58.200 0.062 0.000 0.996 754 S CB 1.679 64.915 63.200 0.061 0.000 0.902 754 S HN -0.008 nan 8.310 nan 0.000 0.566 755 K N -0.258 120.173 120.400 0.052 0.000 2.052 755 K HA -0.171 4.152 4.320 0.006 0.000 0.215 755 K C 1.625 178.251 176.600 0.043 0.000 1.053 755 K CA 1.957 58.270 56.287 0.042 0.000 0.934 755 K CB -0.288 32.232 32.500 0.034 0.000 0.717 755 K HN 0.609 nan 8.250 nan 0.000 0.450 756 M N 1.298 120.927 119.600 0.048 0.000 2.618 756 M HA 0.018 4.501 4.480 0.006 0.000 0.240 756 M C -0.317 176.027 176.300 0.073 0.000 1.123 756 M CA 0.598 55.925 55.300 0.045 0.000 1.060 756 M CB -0.112 32.506 32.600 0.029 0.000 1.535 756 M HN 0.046 nan 8.290 nan 0.000 0.507 757 K N -0.274 120.190 120.400 0.108 0.000 3.689 757 K HA -0.137 4.187 4.320 0.006 0.000 0.276 757 K C -2.538 174.191 176.600 0.215 0.000 0.932 757 K CA 0.224 56.621 56.287 0.183 0.000 0.758 757 K CB -2.081 30.469 32.500 0.083 0.000 1.500 757 K HN 0.273 nan 8.250 nan 0.000 0.448 758 P HA 0.025 nan 4.420 nan 0.000 0.267 758 P C 0.617 178.115 177.300 0.330 0.000 1.200 758 P CA 0.097 63.335 63.100 0.230 0.000 0.772 758 P CB 0.584 32.397 31.700 0.188 0.000 0.855 759 L N 2.453 123.893 121.223 0.362 0.000 2.334 759 L HA 0.387 4.731 4.340 0.006 0.000 0.277 759 L C 0.356 177.458 176.870 0.385 0.000 1.075 759 L CA -0.390 54.681 54.840 0.385 0.000 0.804 759 L CB 1.100 43.363 42.059 0.340 0.000 1.174 759 L HN 0.441 nan 8.230 nan 0.000 0.438 760 W N 5.936 127.340 121.300 0.173 0.000 2.296 760 W HA 0.428 5.091 4.660 0.006 0.000 0.316 760 W C -1.618 174.959 176.519 0.097 0.000 1.022 760 W CA -0.613 56.804 57.345 0.121 0.000 1.324 760 W CB 1.279 30.789 29.460 0.082 0.000 1.227 760 W HN 0.260 nan 8.180 nan 0.000 0.409 761 I N 7.636 128.199 120.570 -0.011 0.000 2.406 761 I HA 0.316 4.489 4.170 0.006 0.000 0.290 761 I C 0.172 176.205 176.117 -0.141 0.000 0.999 761 I CA -0.938 60.343 61.300 -0.032 0.000 1.124 761 I CB 1.495 39.498 38.000 0.004 0.000 1.289 761 I HN 0.254 nan 8.210 nan 0.000 0.441 762 M N 5.878 125.387 119.600 -0.152 0.000 2.537 762 M HA 0.490 4.974 4.480 0.006 0.000 0.324 762 M C -0.946 175.158 176.300 -0.328 0.000 1.187 762 M CA -0.575 54.657 55.300 -0.114 0.000 0.993 762 M CB 1.762 34.369 32.600 0.012 0.000 1.666 762 M HN 0.319 nan 8.290 nan 0.000 0.461 763 Y N -0.619 119.662 120.300 -0.031 0.000 2.576 763 Y HA 0.589 5.141 4.550 0.004 0.000 0.346 763 Y C 0.200 176.089 175.900 -0.019 0.000 1.018 763 Y CA -0.563 57.517 58.100 -0.032 0.000 1.050 763 Y CB 2.227 40.660 38.460 -0.044 0.000 1.280 763 Y HN 0.737 nan 8.280 nan 0.000 0.474 764 S N 0.069 115.858 115.700 0.147 0.000 2.627 764 S HA 0.827 5.300 4.470 0.006 0.000 0.283 764 S C -1.084 173.569 174.600 0.089 0.000 1.127 764 S CA -0.853 57.402 58.200 0.091 0.000 0.863 764 S CB 1.933 65.163 63.200 0.050 0.000 1.121 764 S HN 0.618 nan 8.310 nan 0.000 0.479 765 S N 0.057 115.791 115.700 0.057 0.000 2.750 765 S HA 0.332 4.806 4.470 0.006 0.000 0.276 765 S C 0.306 174.921 174.600 0.025 0.000 1.165 765 S CA -0.575 57.653 58.200 0.047 0.000 1.047 765 S CB 1.094 64.311 63.200 0.029 0.000 1.056 765 S HN 0.764 nan 8.310 nan 0.000 0.481 766 E N 2.384 122.602 120.200 0.029 0.000 2.086 766 E HA -0.234 4.120 4.350 0.006 0.000 0.200 766 E C 1.531 178.133 176.600 0.003 0.000 1.012 766 E CA 1.849 58.259 56.400 0.016 0.000 0.812 766 E CB -0.030 29.683 29.700 0.021 0.000 0.743 766 E HN 0.711 nan 8.360 nan 0.000 0.453 767 E N 0.575 120.777 120.200 0.004 0.000 2.077 767 E HA -0.096 4.257 4.350 0.006 0.000 0.193 767 E C 1.720 178.306 176.600 -0.024 0.000 0.989 767 E CA 1.351 57.747 56.400 -0.006 0.000 0.800 767 E CB -0.297 29.401 29.700 -0.003 0.000 0.746 767 E HN 0.249 nan 8.360 nan 0.000 0.452 768 A N -0.548 122.253 122.820 -0.031 0.000 2.239 768 A HA 0.268 4.591 4.320 0.006 0.000 0.209 768 A C 1.826 179.373 177.584 -0.062 0.000 1.171 768 A CA 1.421 53.427 52.037 -0.052 0.000 0.768 768 A CB -0.970 18.001 19.000 -0.049 0.000 0.790 768 A HN 0.448 nan 8.150 nan 0.000 0.478 769 G N -0.858 107.910 108.800 -0.054 0.000 3.581 769 G HA2 -0.395 3.568 3.960 0.006 0.000 0.336 769 G HA3 -0.395 3.568 3.960 0.006 0.000 0.336 769 G C 1.238 176.108 174.900 -0.050 0.000 1.259 769 G CA 1.061 46.116 45.100 -0.075 0.000 1.001 769 G HN 0.938 nan 8.290 nan 0.000 0.662 770 S N 0.178 115.843 115.700 -0.060 0.000 2.628 770 S HA 0.539 5.012 4.470 0.006 0.000 0.246 770 S C 1.827 176.437 174.600 0.017 0.000 1.062 770 S CA 1.117 59.310 58.200 -0.011 0.000 1.028 770 S CB 0.814 64.005 63.200 -0.014 0.000 0.985 770 S HN 1.524 nan 8.310 nan 0.000 0.551 771 A N 1.027 123.847 122.820 0.001 0.000 2.251 771 A HA 0.440 4.764 4.320 0.006 0.000 0.209 771 A C 1.788 179.374 177.584 0.005 0.000 1.187 771 A CA 0.781 52.834 52.037 0.026 0.000 0.823 771 A CB -0.501 18.523 19.000 0.040 0.000 0.846 771 A HN 0.432 nan 8.150 nan 0.000 0.486 772 G N -0.381 108.417 108.800 -0.004 0.000 2.985 772 G HA2 0.005 3.968 3.960 0.006 0.000 0.209 772 G HA3 0.005 3.968 3.960 0.006 0.000 0.209 772 G C 0.212 175.131 174.900 0.032 0.000 1.165 772 G CA -0.291 44.808 45.100 -0.001 0.000 0.776 772 G HN 0.365 nan 8.290 nan 0.000 0.541 773 N N 1.203 119.929 118.700 0.043 0.000 2.439 773 N HA 0.357 5.101 4.740 0.006 0.000 0.243 773 N C -0.348 175.197 175.510 0.058 0.000 1.088 773 N CA 0.068 53.155 53.050 0.062 0.000 0.940 773 N CB 1.543 40.069 38.487 0.066 0.000 1.180 773 N HN 0.146 nan 8.380 nan 0.000 0.505 774 V N -1.118 118.840 119.914 0.072 0.000 3.007 774 V HA 0.979 5.102 4.120 0.006 0.000 0.311 774 V C 0.348 176.474 176.094 0.054 0.000 1.120 774 V CA -1.113 61.212 62.300 0.041 0.000 0.980 774 V CB 1.800 33.629 31.823 0.010 0.000 1.033 774 V HN 0.404 nan 8.190 nan 0.000 0.429 775 G N 1.977 110.746 108.800 -0.052 0.000 2.481 775 G HA2 0.839 4.802 3.960 0.006 0.000 0.315 775 G HA3 0.839 4.802 3.960 0.006 0.000 0.315 775 G C -0.999 173.785 174.900 -0.192 0.000 1.231 775 G CA -0.767 44.227 45.100 -0.176 0.000 0.968 775 G HN 1.515 nan 8.290 nan 0.000 0.482 776 I N -1.506 118.962 120.570 -0.170 0.000 2.785 776 I HA 0.724 4.897 4.170 0.006 0.000 0.302 776 I C -1.082 174.940 176.117 -0.158 0.000 1.069 776 I CA -1.461 59.771 61.300 -0.113 0.000 1.045 776 I CB 2.540 40.560 38.000 0.033 0.000 1.236 776 I HN 0.271 nan 8.210 nan 0.000 0.429 777 I N 4.045 124.570 120.570 -0.075 0.000 2.378 777 I HA 0.364 4.537 4.170 0.006 0.000 0.291 777 I C -1.091 175.115 176.117 0.148 0.000 0.992 777 I CA -0.509 60.818 61.300 0.044 0.000 1.154 777 I CB 1.796 39.829 38.000 0.055 0.000 1.315 777 I HN 0.492 nan 8.210 nan 0.000 0.448 778 F N 7.474 127.460 119.950 0.061 0.000 2.415 778 F HA 0.513 5.044 4.527 0.007 0.000 0.348 778 F C -0.193 175.654 175.800 0.078 0.000 1.119 778 F CA -0.446 57.590 58.000 0.060 0.000 1.069 778 F CB 0.806 39.847 39.000 0.069 0.000 1.124 778 F HN 0.315 nan 8.300 nan 0.000 0.472 779 K N 5.047 125.152 120.400 -0.492 0.000 2.471 779 K HA 0.419 4.742 4.320 0.006 0.000 0.252 779 K C -1.845 174.434 176.600 -0.535 0.000 0.938 779 K CA -0.747 55.341 56.287 -0.331 0.000 0.796 779 K CB 1.237 33.666 32.500 -0.119 0.000 1.161 779 K HN 0.715 nan 8.250 nan 0.000 0.425 780 N N 2.426 120.932 118.700 -0.323 0.000 2.352 780 N HA 0.547 5.290 4.740 0.006 0.000 0.291 780 N C -0.053 175.411 175.510 -0.077 0.000 1.040 780 N CA 0.444 53.361 53.050 -0.222 0.000 0.864 780 N CB 1.995 40.425 38.487 -0.096 0.000 1.440 780 N HN 0.703 nan 8.380 nan 0.000 0.483 781 G N 1.985 110.742 108.800 -0.073 0.000 2.545 781 G HA2 -0.146 3.817 3.960 0.006 0.000 0.195 781 G HA3 -0.146 3.817 3.960 0.006 0.000 0.195 781 G C -0.865 174.012 174.900 -0.038 0.000 1.009 781 G CA -0.398 44.680 45.100 -0.037 0.000 0.703 781 G HN 0.588 nan 8.290 nan 0.000 0.479 782 D N 0.903 121.272 120.400 -0.052 0.000 2.342 782 D HA 0.504 5.147 4.640 0.006 0.000 0.243 782 D C -1.113 175.155 176.300 -0.054 0.000 1.019 782 D CA -0.353 53.621 54.000 -0.043 0.000 0.864 782 D CB 1.841 42.622 40.800 -0.032 0.000 1.315 782 D HN 0.072 nan 8.370 nan 0.000 0.468 783 D N 1.511 121.884 120.400 -0.045 0.000 2.339 783 D HA 0.062 4.706 4.640 0.006 0.000 0.256 783 D C 0.661 176.935 176.300 -0.044 0.000 1.214 783 D CA 0.001 53.977 54.000 -0.040 0.000 0.877 783 D CB 0.738 41.516 40.800 -0.036 0.000 1.111 783 D HN 0.275 nan 8.370 nan 0.000 0.478 784 L N 3.854 125.056 121.223 -0.034 0.000 2.592 784 L HA 0.158 4.501 4.340 0.006 0.000 0.227 784 L C 2.285 179.139 176.870 -0.026 0.000 1.127 784 L CA -0.112 54.716 54.840 -0.021 0.000 0.884 784 L CB 0.087 42.139 42.059 -0.011 0.000 1.065 784 L HN 0.330 nan 8.230 nan 0.000 0.457 785 R N 0.026 120.502 120.500 -0.039 0.000 2.091 785 R HA -0.249 4.095 4.340 0.006 0.000 0.238 785 R C 2.127 178.359 176.300 -0.113 0.000 1.136 785 R CA 1.716 57.782 56.100 -0.056 0.000 0.959 785 R CB -0.226 30.042 30.300 -0.053 0.000 0.856 785 R HN 0.361 nan 8.270 nan 0.000 0.437 786 Q N 0.886 120.587 119.800 -0.166 0.000 2.084 786 Q HA -0.178 4.166 4.340 0.006 0.000 0.202 786 Q C 1.360 177.223 176.000 -0.229 0.000 0.978 786 Q CA 1.784 57.407 55.803 -0.300 0.000 0.844 786 Q CB 0.096 28.589 28.738 -0.409 0.000 0.898 786 Q HN 0.268 nan 8.270 nan 0.000 0.426 787 D N 0.239 120.585 120.400 -0.090 0.000 2.117 787 D HA -0.200 4.443 4.640 0.006 0.000 0.197 787 D C 1.881 178.152 176.300 -0.048 0.000 0.987 787 D CA 1.478 55.495 54.000 0.029 0.000 0.829 787 D CB -0.212 40.687 40.800 0.164 0.000 0.961 787 D HN 0.423 nan 8.370 nan 0.000 0.460 788 M N 0.463 120.035 119.600 -0.047 0.000 2.086 788 M HA -0.184 4.299 4.480 0.006 0.000 0.261 788 M C 2.188 178.421 176.300 -0.112 0.000 1.067 788 M CA 1.162 56.428 55.300 -0.056 0.000 1.116 788 M CB -0.008 32.585 32.600 -0.012 0.000 1.348 788 M HN -0.000 nan 8.290 nan 0.000 0.407 789 L N 0.286 121.431 121.223 -0.129 0.000 2.012 789 L HA -0.161 4.182 4.340 0.006 0.000 0.210 789 L C 2.123 178.934 176.870 -0.098 0.000 1.073 789 L CA 2.317 57.079 54.840 -0.131 0.000 0.748 789 L CB -1.104 40.881 42.059 -0.123 0.000 0.891 789 L HN 0.332 nan 8.230 nan 0.000 0.431 790 T N 0.014 114.485 114.554 -0.137 0.000 2.652 790 T HA -0.204 4.149 4.350 0.006 0.000 0.267 790 T C 1.961 176.470 174.700 -0.318 0.000 1.039 790 T CA 2.028 63.992 62.100 -0.228 0.000 1.153 790 T CB -0.441 68.085 68.868 -0.570 0.000 0.863 790 T HN 0.310 nan 8.240 nan 0.000 0.428 791 L N 0.723 121.741 121.223 -0.342 0.000 2.042 791 L HA -0.167 4.176 4.340 0.006 0.000 0.210 791 L C 2.961 179.736 176.870 -0.158 0.000 1.076 791 L CA 1.429 56.126 54.840 -0.239 0.000 0.749 791 L CB -0.585 41.323 42.059 -0.251 0.000 0.893 791 L HN 0.320 nan 8.230 nan 0.000 0.432 792 Q N -0.951 118.760 119.800 -0.148 0.000 2.084 792 Q HA -0.196 4.148 4.340 0.006 0.000 0.202 792 Q C 2.329 178.277 176.000 -0.087 0.000 0.978 792 Q CA 1.235 56.953 55.803 -0.142 0.000 0.844 792 Q CB -0.084 28.549 28.738 -0.175 0.000 0.898 792 Q HN 0.456 nan 8.270 nan 0.000 0.426 793 M N -0.053 119.532 119.600 -0.025 0.000 2.229 793 M HA -0.104 4.380 4.480 0.006 0.000 0.264 793 M C 2.117 178.447 176.300 0.049 0.000 1.063 793 M CA 1.263 56.628 55.300 0.108 0.000 1.114 793 M CB -0.607 32.138 32.600 0.242 0.000 1.387 793 M HN 0.245 nan 8.290 nan 0.000 0.420 794 I N -0.096 120.451 120.570 -0.038 0.000 2.252 794 I HA -0.311 3.863 4.170 0.006 0.000 0.245 794 I C 2.629 178.675 176.117 -0.119 0.000 1.102 794 I CA 1.157 62.407 61.300 -0.083 0.000 1.385 794 I CB -0.372 37.621 38.000 -0.012 0.000 1.064 794 I HN 0.366 nan 8.210 nan 0.000 0.414 795 Q N 1.039 120.788 119.800 -0.086 0.000 2.124 795 Q HA -0.251 4.092 4.340 0.006 0.000 0.202 795 Q C 2.220 178.142 176.000 -0.129 0.000 0.977 795 Q CA 1.670 57.421 55.803 -0.086 0.000 0.850 795 Q CB -0.136 28.553 28.738 -0.081 0.000 0.901 795 Q HN 0.423 nan 8.270 nan 0.000 0.429 796 L N 0.130 121.275 121.223 -0.131 0.000 2.046 796 L HA -0.112 4.232 4.340 0.006 0.000 0.208 796 L C 2.103 178.826 176.870 -0.245 0.000 1.077 796 L CA 1.808 56.548 54.840 -0.167 0.000 0.747 796 L CB -0.413 41.560 42.059 -0.142 0.000 0.896 796 L HN 0.370 nan 8.230 nan 0.000 0.432 797 M N -0.699 118.734 119.600 -0.278 0.000 2.106 797 M HA -0.251 4.232 4.480 0.006 0.000 0.259 797 M C 1.999 177.705 176.300 -0.989 0.000 1.068 797 M CA 2.203 57.051 55.300 -0.753 0.000 1.100 797 M CB -0.690 31.277 32.600 -1.054 0.000 1.351 797 M HN 0.327 nan 8.290 nan 0.000 0.404 798 D N 0.106 120.194 120.400 -0.519 0.000 2.117 798 D HA -0.125 4.518 4.640 0.006 0.000 0.197 798 D C 1.778 178.044 176.300 -0.056 0.000 0.987 798 D CA 1.175 55.108 54.000 -0.111 0.000 0.829 798 D CB 0.081 40.885 40.800 0.007 0.000 0.961 798 D HN 0.087 nan 8.370 nan 0.000 0.460 799 V N 0.528 120.364 119.914 -0.130 0.000 2.255 799 V HA -0.260 3.863 4.120 0.006 0.000 0.247 799 V C 2.674 178.698 176.094 -0.117 0.000 1.051 799 V CA 1.595 63.831 62.300 -0.107 0.000 1.018 799 V CB -0.595 31.146 31.823 -0.137 0.000 0.641 799 V HN 0.307 nan 8.190 nan 0.000 0.445 800 L N -1.720 119.369 121.223 -0.223 0.000 2.083 800 L HA -0.170 4.173 4.340 0.006 0.000 0.209 800 L C 2.589 179.473 176.870 0.022 0.000 1.083 800 L CA 1.564 56.273 54.840 -0.220 0.000 0.752 800 L CB -0.665 41.159 42.059 -0.392 0.000 0.899 800 L HN 0.394 nan 8.230 nan 0.000 0.433 801 W N 1.080 122.381 121.300 0.001 0.000 2.355 801 W HA -0.132 4.532 4.660 0.006 0.000 0.309 801 W C 2.560 179.076 176.519 -0.004 0.000 1.206 801 W CA 0.812 58.162 57.345 0.008 0.000 1.284 801 W CB -0.864 28.594 29.460 -0.003 0.000 1.145 801 W HN 0.127 nan 8.180 nan 0.000 0.502 802 K N 0.215 120.746 120.400 0.218 0.000 2.097 802 K HA -0.193 4.131 4.320 0.006 0.000 0.206 802 K C 1.909 178.550 176.600 0.068 0.000 1.049 802 K CA 1.457 57.812 56.287 0.113 0.000 0.933 802 K CB -0.436 32.108 32.500 0.073 0.000 0.717 802 K HN 0.245 nan 8.250 nan 0.000 0.442 803 Q N 0.427 120.257 119.800 0.051 0.000 2.364 803 Q HA -0.118 4.225 4.340 0.006 0.000 0.209 803 Q C 0.673 176.712 176.000 0.064 0.000 0.977 803 Q CA 0.840 56.663 55.803 0.033 0.000 0.885 803 Q CB 0.238 28.980 28.738 0.007 0.000 0.941 803 Q HN 0.281 nan 8.270 nan 0.000 0.464 804 E N -0.736 119.524 120.200 0.101 0.000 2.451 804 E HA 0.128 4.481 4.350 0.006 0.000 0.194 804 E C 0.561 177.204 176.600 0.073 0.000 1.027 804 E CA 0.311 56.769 56.400 0.096 0.000 0.914 804 E CB 0.960 30.738 29.700 0.130 0.000 1.054 804 E HN 0.410 nan 8.360 nan 0.000 0.461 805 G N 1.943 110.780 108.800 0.062 0.000 2.160 805 G HA2 -0.283 3.681 3.960 0.006 0.000 0.251 805 G HA3 -0.283 3.681 3.960 0.006 0.000 0.251 805 G C -0.125 174.796 174.900 0.036 0.000 1.008 805 G CA 0.397 45.524 45.100 0.044 0.000 0.724 805 G HN 0.259 nan 8.290 nan 0.000 0.514 806 L N 1.036 122.291 121.223 0.054 0.000 2.318 806 L HA 0.697 5.040 4.340 0.006 0.000 0.277 806 L C -0.723 176.160 176.870 0.021 0.000 1.008 806 L CA -1.124 53.716 54.840 -0.001 0.000 0.846 806 L CB 1.618 43.649 42.059 -0.046 0.000 1.220 806 L HN 0.108 nan 8.230 nan 0.000 0.423 807 D N 4.743 125.123 120.400 -0.033 0.000 2.454 807 D HA 0.212 4.856 4.640 0.006 0.000 0.225 807 D C 0.472 176.714 176.300 -0.097 0.000 1.081 807 D CA -0.141 53.852 54.000 -0.012 0.000 0.864 807 D CB 0.894 41.687 40.800 -0.012 0.000 1.040 807 D HN 0.600 nan 8.370 nan 0.000 0.517 808 L N 3.614 124.792 121.223 -0.074 0.000 2.627 808 L HA 0.163 4.507 4.340 0.006 0.000 0.232 808 L C 0.557 177.416 176.870 -0.020 0.000 1.150 808 L CA -0.259 54.496 54.840 -0.143 0.000 0.917 808 L CB -0.204 41.694 42.059 -0.268 0.000 1.104 808 L HN 0.287 nan 8.230 nan 0.000 0.445 809 R N -0.463 120.044 120.500 0.012 0.000 3.336 809 R HA -0.148 4.196 4.340 0.006 0.000 0.260 809 R C -0.053 176.344 176.300 0.162 0.000 1.032 809 R CA 0.693 56.823 56.100 0.049 0.000 0.693 809 R CB -2.029 28.278 30.300 0.011 0.000 1.134 809 R HN 0.305 nan 8.270 nan 0.000 0.433 810 M N -0.292 119.423 119.600 0.191 0.000 2.163 810 M HA 0.185 4.668 4.480 0.006 0.000 0.305 810 M C 0.906 177.394 176.300 0.314 0.000 1.166 810 M CA 0.411 55.890 55.300 0.297 0.000 1.132 810 M CB 0.357 33.069 32.600 0.188 0.000 1.413 810 M HN -0.022 nan 8.290 nan 0.000 0.478 811 T N 2.804 117.617 114.554 0.430 0.000 3.241 811 T HA 0.348 4.702 4.350 0.006 0.000 0.387 811 T C -2.297 172.566 174.700 0.272 0.000 1.451 811 T CA -0.932 61.314 62.100 0.243 0.000 1.363 811 T CB 0.233 69.102 68.868 0.002 0.000 1.074 811 T HN 0.373 nan 8.240 nan 0.000 0.598 812 P HA 0.169 nan 4.420 nan 0.000 0.225 812 P C -0.371 176.974 177.300 0.076 0.000 1.813 812 P CA -0.522 62.642 63.100 0.107 0.000 1.013 812 P CB -0.850 30.892 31.700 0.070 0.000 1.961 813 Y N -0.489 119.832 120.300 0.035 0.000 2.314 813 Y HA 0.585 5.138 4.550 0.005 0.000 0.334 813 Y C 0.887 176.825 175.900 0.064 0.000 1.266 813 Y CA -1.110 57.000 58.100 0.017 0.000 1.391 813 Y CB 0.068 38.499 38.460 -0.048 0.000 1.306 813 Y HN 0.180 nan 8.280 nan 0.000 0.558 814 G N 0.168 109.090 108.800 0.204 0.000 2.483 814 G HA2 0.351 4.314 3.960 0.006 0.000 0.248 814 G HA3 0.351 4.314 3.960 0.006 0.000 0.248 814 G C -1.354 173.635 174.900 0.148 0.000 1.248 814 G CA -0.341 44.840 45.100 0.135 0.000 0.838 814 G HN 1.068 nan 8.290 nan 0.000 0.566 815 C N 3.343 122.692 119.300 0.082 0.000 2.642 815 C HA 0.725 5.189 4.460 0.006 0.000 0.344 815 C C -1.161 173.886 174.990 0.096 0.000 1.110 815 C CA -0.899 58.178 59.018 0.099 0.000 1.298 815 C CB 0.524 28.313 27.740 0.082 0.000 1.827 815 C HN 0.801 nan 8.230 nan 0.000 0.467 816 L N 8.381 129.655 121.223 0.085 0.000 2.504 816 L HA 0.628 4.971 4.340 0.006 0.000 0.265 816 L C -2.571 174.316 176.870 0.029 0.000 0.975 816 L CA -1.324 53.571 54.840 0.092 0.000 0.864 816 L CB 1.919 44.031 42.059 0.089 0.000 1.212 816 L HN 0.502 nan 8.230 nan 0.000 0.416 817 P HA 0.299 nan 4.420 nan 0.000 0.268 817 P C 0.127 177.465 177.300 0.062 0.000 1.204 817 P CA -0.002 63.127 63.100 0.048 0.000 0.768 817 P CB 0.741 32.495 31.700 0.091 0.000 0.842 818 T N -0.449 114.115 114.554 0.017 0.000 2.975 818 T HA 0.498 4.852 4.350 0.006 0.000 0.261 818 T C 0.680 175.505 174.700 0.209 0.000 0.984 818 T CA 0.229 62.369 62.100 0.066 0.000 0.911 818 T CB 0.092 68.840 68.868 -0.200 0.000 1.127 818 T HN 0.494 nan 8.240 nan 0.000 0.514 819 G N 0.471 109.336 108.800 0.108 0.000 2.570 819 G HA2 0.422 4.385 3.960 0.006 0.000 0.310 819 G HA3 0.422 4.385 3.960 0.006 0.000 0.310 819 G C -2.037 172.793 174.900 -0.117 0.000 1.266 819 G CA -0.641 44.504 45.100 0.074 0.000 0.825 819 G HN 0.030 nan 8.290 nan 0.000 0.483 820 D N 0.737 120.943 120.400 -0.323 0.000 2.349 820 D HA 0.161 4.805 4.640 0.006 0.000 0.266 820 D C 1.036 177.146 176.300 -0.317 0.000 1.293 820 D CA 0.201 53.771 54.000 -0.718 0.000 0.926 820 D CB -0.091 40.353 40.800 -0.593 0.000 1.090 820 D HN 0.502 nan 8.370 nan 0.000 0.502 821 R N 2.114 122.469 120.500 -0.241 0.000 3.322 821 R HA -0.166 4.178 4.340 0.006 0.000 0.253 821 R C -0.475 175.738 176.300 -0.145 0.000 0.987 821 R CA 0.879 56.900 56.100 -0.130 0.000 0.666 821 R CB -1.967 28.274 30.300 -0.098 0.000 1.072 821 R HN 0.411 nan 8.270 nan 0.000 0.447 822 T N -1.202 113.260 114.554 -0.152 0.000 2.933 822 T HA 0.749 5.103 4.350 0.006 0.000 0.305 822 T C 0.163 174.747 174.700 -0.194 0.000 1.092 822 T CA -0.124 61.840 62.100 -0.227 0.000 1.008 822 T CB 2.433 71.216 68.868 -0.142 0.000 1.102 822 T HN 0.455 nan 8.240 nan 0.000 0.469 823 G N 1.016 109.636 108.800 -0.301 0.000 2.428 823 G HA2 0.581 4.544 3.960 0.006 0.000 0.304 823 G HA3 0.581 4.544 3.960 0.006 0.000 0.304 823 G C -2.365 172.423 174.900 -0.187 0.000 1.303 823 G CA -0.801 44.190 45.100 -0.181 0.000 0.825 823 G HN 0.716 nan 8.290 nan 0.000 0.484 824 L N -0.196 120.983 121.223 -0.073 0.000 2.341 824 L HA 0.737 5.080 4.340 0.006 0.000 0.267 824 L C -0.723 176.171 176.870 0.040 0.000 1.009 824 L CA -0.957 53.881 54.840 -0.002 0.000 0.819 824 L CB 2.244 44.305 42.059 0.003 0.000 1.323 824 L HN 0.397 nan 8.230 nan 0.000 0.425 825 I N 0.867 121.478 120.570 0.069 0.000 2.545 825 I HA 0.256 4.430 4.170 0.006 0.000 0.292 825 I C -0.207 175.964 176.117 0.090 0.000 1.040 825 I CA -0.478 60.903 61.300 0.134 0.000 1.068 825 I CB 2.359 40.458 38.000 0.166 0.000 1.251 825 I HN 0.594 nan 8.210 nan 0.000 0.424 826 E N 4.971 125.269 120.200 0.163 0.000 2.316 826 E HA 0.276 4.629 4.350 0.006 0.000 0.275 826 E C -1.158 175.408 176.600 -0.058 0.000 1.029 826 E CA -0.485 55.961 56.400 0.076 0.000 0.871 826 E CB 1.234 31.033 29.700 0.165 0.000 1.022 826 E HN 0.354 nan 8.360 nan 0.000 0.418 827 V N 5.380 125.188 119.914 -0.176 0.000 2.432 827 V HA 0.074 4.198 4.120 0.006 0.000 0.271 827 V C -0.049 175.949 176.094 -0.161 0.000 1.046 827 V CA -0.522 61.609 62.300 -0.281 0.000 0.945 827 V CB 1.344 32.838 31.823 -0.549 0.000 0.992 827 V HN 0.482 nan 8.190 nan 0.000 0.471 828 V N 7.557 127.374 119.914 -0.162 0.000 2.368 828 V HA 0.296 4.420 4.120 0.006 0.000 0.266 828 V C 0.347 176.475 176.094 0.055 0.000 1.045 828 V CA -0.254 61.989 62.300 -0.095 0.000 0.899 828 V CB 0.829 32.467 31.823 -0.308 0.000 1.006 828 V HN 0.613 nan 8.190 nan 0.000 0.470 829 L N 4.618 125.876 121.223 0.058 0.000 2.475 829 L HA 0.428 4.771 4.340 0.006 0.000 0.253 829 L C 1.116 178.047 176.870 0.102 0.000 1.198 829 L CA -0.479 54.367 54.840 0.010 0.000 0.814 829 L CB 0.014 41.980 42.059 -0.154 0.000 1.134 829 L HN 0.721 nan 8.230 nan 0.000 0.478 830 H N -1.040 118.157 119.070 0.212 0.000 2.839 830 H HA -0.132 4.427 4.556 0.006 0.000 0.298 830 H C -0.225 175.277 175.328 0.290 0.000 1.224 830 H CA 0.692 56.870 56.048 0.216 0.000 1.144 830 H CB -1.802 28.059 29.762 0.165 0.000 1.372 830 H HN 0.638 nan 8.280 nan 0.000 0.408 831 S N -0.789 115.116 115.700 0.341 0.000 2.599 831 S HA 0.726 5.199 4.470 0.006 0.000 0.287 831 S C -0.763 173.947 174.600 0.182 0.000 1.105 831 S CA -0.907 57.492 58.200 0.332 0.000 0.899 831 S CB 4.173 67.639 63.200 0.443 0.000 1.100 831 S HN 0.167 nan 8.310 nan 0.000 0.482 832 D N 0.381 120.785 120.400 0.006 0.000 2.583 832 D HA 0.531 5.174 4.640 0.006 0.000 0.248 832 D C -0.728 175.413 176.300 -0.265 0.000 1.209 832 D CA -0.151 53.775 54.000 -0.124 0.000 0.848 832 D CB 2.320 43.033 40.800 -0.146 0.000 1.431 832 D HN 0.814 nan 8.370 nan 0.000 0.436 833 T N 0.144 114.559 114.554 -0.231 0.000 2.918 833 T HA 0.178 4.532 4.350 0.006 0.000 0.302 833 T C 2.010 176.553 174.700 -0.261 0.000 1.045 833 T CA -0.667 61.289 62.100 -0.240 0.000 1.114 833 T CB 0.464 69.236 68.868 -0.160 0.000 0.965 833 T HN 0.282 nan 8.240 nan 0.000 0.540 834 I N 2.093 122.532 120.570 -0.218 0.000 2.145 834 I HA -0.239 3.935 4.170 0.006 0.000 0.244 834 I C 2.913 178.968 176.117 -0.104 0.000 1.075 834 I CA 2.026 63.247 61.300 -0.131 0.000 1.332 834 I CB -2.212 35.812 38.000 0.041 0.000 1.033 834 I HN 0.908 nan 8.210 nan 0.000 0.410 835 A N 0.627 123.399 122.820 -0.079 0.000 1.940 835 A HA -0.259 4.064 4.320 0.006 0.000 0.219 835 A C 2.188 179.720 177.584 -0.087 0.000 1.176 835 A CA 2.217 54.217 52.037 -0.063 0.000 0.631 835 A CB -0.928 18.044 19.000 -0.048 0.000 0.814 835 A HN 0.452 nan 8.150 nan 0.000 0.446 836 N N -0.141 118.487 118.700 -0.120 0.000 2.120 836 N HA -0.080 4.663 4.740 0.006 0.000 0.188 836 N C 1.455 176.883 175.510 -0.137 0.000 1.024 836 N CA 1.564 54.541 53.050 -0.122 0.000 0.852 836 N CB -0.371 38.034 38.487 -0.136 0.000 1.003 836 N HN 0.529 nan 8.380 nan 0.000 0.424 837 I N 0.458 120.894 120.570 -0.225 0.000 2.286 837 I HA -0.242 3.931 4.170 0.006 0.000 0.248 837 I C 1.746 177.800 176.117 -0.104 0.000 1.115 837 I CA 1.095 62.241 61.300 -0.258 0.000 1.392 837 I CB -0.190 37.489 38.000 -0.536 0.000 1.065 837 I HN 0.223 nan 8.210 nan 0.000 0.418 838 Q N 0.290 120.043 119.800 -0.078 0.000 2.451 838 Q HA 0.029 4.372 4.340 0.006 0.000 0.206 838 Q C 2.182 178.169 176.000 -0.021 0.000 0.947 838 Q CA 0.432 56.219 55.803 -0.027 0.000 0.937 838 Q CB 0.102 28.834 28.738 -0.009 0.000 1.025 838 Q HN 0.565 nan 8.270 nan 0.000 0.511 839 L N 0.708 121.910 121.223 -0.035 0.000 2.189 839 L HA -0.184 4.160 4.340 0.006 0.000 0.214 839 L C 0.615 177.476 176.870 -0.015 0.000 1.097 839 L CA 0.515 55.339 54.840 -0.028 0.000 0.764 839 L CB -0.579 41.459 42.059 -0.035 0.000 0.900 839 L HN 0.391 nan 8.230 nan 0.000 0.436 840 N N 1.034 119.731 118.700 -0.004 0.000 2.714 840 N HA -0.186 4.557 4.740 0.006 0.000 0.253 840 N C -0.155 175.357 175.510 0.002 0.000 1.024 840 N CA 0.653 53.707 53.050 0.007 0.000 0.726 840 N CB -0.771 37.719 38.487 0.004 0.000 0.908 840 N HN 0.326 nan 8.380 nan 0.000 0.542 841 K N 0.107 120.511 120.400 0.006 0.000 2.414 841 K HA 0.124 4.447 4.320 0.006 0.000 0.272 841 K C 0.903 177.506 176.600 0.005 0.000 0.993 841 K CA 0.313 56.601 56.287 0.002 0.000 0.964 841 K CB 0.351 32.854 32.500 0.005 0.000 0.925 841 K HN 0.497 nan 8.250 nan 0.000 0.487 842 S N 1.377 117.076 115.700 -0.003 0.000 2.614 842 S HA 0.046 4.520 4.470 0.006 0.000 0.265 842 S C 0.344 174.946 174.600 0.002 0.000 1.303 842 S CA -0.487 57.711 58.200 -0.003 0.000 1.000 842 S CB 0.579 63.773 63.200 -0.010 0.000 0.935 842 S HN 0.841 nan 8.310 nan 0.000 0.551 843 N N -0.141 118.560 118.700 0.003 0.000 2.727 843 N HA -0.133 4.610 4.740 0.006 0.000 0.251 843 N C -1.082 174.435 175.510 0.012 0.000 1.040 843 N CA 0.817 53.870 53.050 0.005 0.000 0.712 843 N CB -1.130 37.357 38.487 0.001 0.000 0.912 843 N HN 0.623 nan 8.380 nan 0.000 0.545 844 M N -0.739 118.873 119.600 0.020 0.000 2.520 844 M HA 0.442 4.925 4.480 0.006 0.000 0.283 844 M C 1.209 177.531 176.300 0.037 0.000 1.237 844 M CA -0.195 55.125 55.300 0.034 0.000 0.885 844 M CB 1.104 33.734 32.600 0.050 0.000 1.727 844 M HN 0.007 nan 8.290 nan 0.000 0.468 845 A N 1.629 124.472 122.820 0.038 0.000 1.903 845 A HA -0.068 4.256 4.320 0.006 0.000 0.219 845 A C 1.464 179.073 177.584 0.041 0.000 1.191 845 A CA 2.576 54.627 52.037 0.023 0.000 0.638 845 A CB -0.699 18.298 19.000 -0.006 0.000 0.823 845 A HN 0.930 nan 8.150 nan 0.000 0.451 846 A N -0.308 122.564 122.820 0.086 0.000 2.324 846 A HA 0.369 4.692 4.320 0.006 0.000 0.240 846 A C 0.685 178.317 177.584 0.079 0.000 1.347 846 A CA 0.338 52.442 52.037 0.112 0.000 1.036 846 A CB -1.138 17.993 19.000 0.218 0.000 0.917 846 A HN 0.266 nan 8.150 nan 0.000 0.519 847 T N 2.252 116.836 114.554 0.050 0.000 2.754 847 T HA 0.398 4.751 4.350 0.006 0.000 0.282 847 T C 0.441 175.156 174.700 0.025 0.000 0.923 847 T CA 0.724 62.842 62.100 0.030 0.000 1.164 847 T CB 0.074 68.951 68.868 0.014 0.000 0.873 847 T HN 0.529 nan 8.240 nan 0.000 0.537 848 A N 2.771 125.604 122.820 0.022 0.000 2.324 848 A HA 0.780 5.103 4.320 0.006 0.000 0.330 848 A C 1.315 178.878 177.584 -0.036 0.000 1.165 848 A CA -0.484 51.569 52.037 0.027 0.000 0.813 848 A CB 0.801 19.838 19.000 0.061 0.000 1.197 848 A HN 0.827 nan 8.150 nan 0.000 0.484 849 A N 1.456 124.248 122.820 -0.047 0.000 1.968 849 A HA 0.390 4.713 4.320 0.006 0.000 0.217 849 A C 0.173 177.396 177.584 -0.602 0.000 1.169 849 A CA 0.991 52.865 52.037 -0.272 0.000 0.638 849 A CB -0.216 18.677 19.000 -0.179 0.000 0.812 849 A HN 0.676 nan 8.150 nan 0.000 0.446 850 F N -1.838 118.106 119.950 -0.010 0.000 2.529 850 F HA 0.365 4.896 4.527 0.005 0.000 0.320 850 F C 0.827 176.613 175.800 -0.023 0.000 1.118 850 F CA -0.935 57.050 58.000 -0.025 0.000 0.915 850 F CB 1.435 40.408 39.000 -0.044 0.000 1.161 850 F HN 0.023 nan 8.300 nan 0.000 0.445 851 N N 2.216 120.990 118.700 0.123 0.000 2.132 851 N HA -0.266 4.477 4.740 0.006 0.000 0.191 851 N C 1.910 177.461 175.510 0.069 0.000 1.015 851 N CA 2.103 55.199 53.050 0.077 0.000 0.864 851 N CB 0.004 38.527 38.487 0.059 0.000 1.006 851 N HN 0.685 nan 8.380 nan 0.000 0.430 852 K N -0.664 119.761 120.400 0.043 0.000 2.218 852 K HA -0.150 4.173 4.320 0.006 0.000 0.205 852 K C 0.498 177.056 176.600 -0.070 0.000 1.046 852 K CA 1.628 57.848 56.287 -0.111 0.000 0.933 852 K CB -0.011 32.242 32.500 -0.412 0.000 0.728 852 K HN 0.242 nan 8.250 nan 0.000 0.454 853 D N 0.781 121.215 120.400 0.056 0.000 2.340 853 D HA 0.097 4.740 4.640 0.006 0.000 0.220 853 D C 1.726 178.099 176.300 0.122 0.000 1.039 853 D CA 0.616 54.701 54.000 0.143 0.000 0.866 853 D CB 0.428 41.332 40.800 0.174 0.000 0.913 853 D HN 0.399 nan 8.370 nan 0.000 0.523 854 A N 0.993 123.871 122.820 0.098 0.000 1.883 854 A HA -0.143 4.180 4.320 0.006 0.000 0.217 854 A C 2.251 179.910 177.584 0.124 0.000 1.186 854 A CA 0.815 52.909 52.037 0.096 0.000 0.624 854 A CB -0.661 18.378 19.000 0.064 0.000 0.822 854 A HN 0.210 nan 8.150 nan 0.000 0.444 855 L N -1.379 119.904 121.223 0.101 0.000 2.027 855 L HA -0.152 4.191 4.340 0.006 0.000 0.206 855 L C 2.584 179.529 176.870 0.126 0.000 1.074 855 L CA 1.274 56.173 54.840 0.098 0.000 0.745 855 L CB -0.379 41.703 42.059 0.038 0.000 0.898 855 L HN 0.439 nan 8.230 nan 0.000 0.433 856 L N 0.390 121.653 121.223 0.067 0.000 1.990 856 L HA -0.289 4.054 4.340 0.006 0.000 0.213 856 L C 2.230 179.141 176.870 0.069 0.000 1.072 856 L CA 1.880 56.738 54.840 0.029 0.000 0.755 856 L CB -0.783 41.289 42.059 0.022 0.000 0.889 856 L HN 0.285 nan 8.230 nan 0.000 0.432 857 N N -1.439 117.321 118.700 0.100 0.000 2.104 857 N HA -0.266 4.477 4.740 0.006 0.000 0.190 857 N C 1.476 177.059 175.510 0.121 0.000 1.024 857 N CA 1.620 54.726 53.050 0.093 0.000 0.853 857 N CB -0.727 37.820 38.487 0.099 0.000 1.008 857 N HN 0.584 nan 8.380 nan 0.000 0.424 858 W N 1.606 122.902 121.300 -0.005 0.000 2.335 858 W HA -0.023 4.640 4.660 0.005 0.000 0.311 858 W C 1.884 178.400 176.519 -0.006 0.000 1.213 858 W CA 1.068 58.412 57.345 -0.001 0.000 1.274 858 W CB -0.424 29.038 29.460 0.003 0.000 1.148 858 W HN -0.001 nan 8.180 nan 0.000 0.498 859 L N 0.565 121.902 121.223 0.189 0.000 2.046 859 L HA -0.240 4.103 4.340 0.006 0.000 0.208 859 L C 2.530 179.338 176.870 -0.102 0.000 1.077 859 L CA 1.668 56.516 54.840 0.013 0.000 0.747 859 L CB -0.812 41.288 42.059 0.068 0.000 0.896 859 L HN -0.051 nan 8.230 nan 0.000 0.432 860 K N -0.164 120.203 120.400 -0.055 0.000 2.063 860 K HA -0.171 4.152 4.320 0.006 0.000 0.208 860 K C 2.316 178.854 176.600 -0.103 0.000 1.048 860 K CA 1.799 58.050 56.287 -0.061 0.000 0.928 860 K CB -0.203 32.282 32.500 -0.026 0.000 0.713 860 K HN 0.385 nan 8.250 nan 0.000 0.442 861 S N 0.865 116.478 115.700 -0.145 0.000 2.406 861 S HA -0.042 4.431 4.470 0.006 0.000 0.228 861 S C 1.657 176.116 174.600 -0.235 0.000 1.020 861 S CA 0.746 58.845 58.200 -0.169 0.000 0.965 861 S CB 0.026 63.125 63.200 -0.168 0.000 0.798 861 S HN 0.094 nan 8.310 nan 0.000 0.488 862 K N 1.788 121.973 120.400 -0.358 0.000 2.365 862 K HA 0.229 4.552 4.320 0.006 0.000 0.197 862 K C 0.057 176.536 176.600 -0.201 0.000 1.042 862 K CA 0.299 56.377 56.287 -0.349 0.000 0.987 862 K CB -0.191 31.966 32.500 -0.571 0.000 0.779 862 K HN 0.453 nan 8.250 nan 0.000 0.484 863 N N 1.659 120.266 118.700 -0.154 0.000 2.733 863 N HA 0.177 4.920 4.740 0.006 0.000 0.271 863 N C -2.797 172.676 175.510 -0.063 0.000 1.720 863 N CA -0.983 52.014 53.050 -0.088 0.000 0.803 863 N CB 1.860 40.310 38.487 -0.063 0.000 1.208 863 N HN 0.008 nan 8.380 nan 0.000 0.498 864 P HA 0.117 nan 4.420 nan 0.000 0.269 864 P C 1.033 178.317 177.300 -0.027 0.000 1.215 864 P CA 0.809 63.883 63.100 -0.042 0.000 0.780 864 P CB 0.837 32.512 31.700 -0.041 0.000 0.898 865 G N 2.736 111.523 108.800 -0.020 0.000 2.566 865 G HA2 -0.333 3.630 3.960 0.006 0.000 0.280 865 G HA3 -0.333 3.630 3.960 0.006 0.000 0.280 865 G C 1.037 175.932 174.900 -0.007 0.000 1.225 865 G CA 0.576 45.668 45.100 -0.012 0.000 0.966 865 G HN 0.546 nan 8.290 nan 0.000 0.560 866 E N 0.093 120.291 120.200 -0.002 0.000 2.164 866 E HA -0.312 4.042 4.350 0.006 0.000 0.206 866 E C 2.816 179.419 176.600 0.005 0.000 1.032 866 E CA 2.223 58.626 56.400 0.004 0.000 0.832 866 E CB -0.602 29.102 29.700 0.006 0.000 0.742 866 E HN 1.158 nan 8.360 nan 0.000 0.460 867 A N 1.550 124.370 122.820 -0.000 0.000 2.024 867 A HA -0.148 4.176 4.320 0.006 0.000 0.220 867 A C 2.226 179.812 177.584 0.003 0.000 1.164 867 A CA 1.246 53.283 52.037 0.002 0.000 0.643 867 A CB -0.545 18.450 19.000 -0.009 0.000 0.806 867 A HN 0.243 nan 8.150 nan 0.000 0.451 868 L N 0.111 121.332 121.223 -0.004 0.000 2.042 868 L HA -0.189 4.154 4.340 0.006 0.000 0.210 868 L C 1.659 178.536 176.870 0.011 0.000 1.076 868 L CA 2.589 57.426 54.840 -0.005 0.000 0.749 868 L CB -0.690 41.361 42.059 -0.014 0.000 0.893 868 L HN 0.313 nan 8.230 nan 0.000 0.432 869 D N -0.552 119.858 120.400 0.016 0.000 2.104 869 D HA -0.226 4.417 4.640 0.006 0.000 0.194 869 D C 2.306 178.634 176.300 0.047 0.000 0.994 869 D CA 1.268 55.285 54.000 0.029 0.000 0.830 869 D CB -0.122 40.695 40.800 0.029 0.000 0.959 869 D HN 0.189 nan 8.370 nan 0.000 0.452 870 R N 0.975 121.502 120.500 0.045 0.000 2.092 870 R HA 0.049 4.393 4.340 0.006 0.000 0.231 870 R C 1.857 178.199 176.300 0.070 0.000 1.119 870 R CA 1.562 57.695 56.100 0.055 0.000 0.970 870 R CB -0.780 29.549 30.300 0.048 0.000 0.864 870 R HN 0.083 nan 8.270 nan 0.000 0.440 871 A N 0.516 123.374 122.820 0.063 0.000 1.902 871 A HA -0.085 4.238 4.320 0.006 0.000 0.217 871 A C 2.298 179.958 177.584 0.126 0.000 1.181 871 A CA 1.610 53.700 52.037 0.088 0.000 0.623 871 A CB -0.591 18.443 19.000 0.057 0.000 0.818 871 A HN 0.355 nan 8.150 nan 0.000 0.443 872 I N -0.633 119.989 120.570 0.088 0.000 2.208 872 I HA -0.261 3.912 4.170 0.006 0.000 0.245 872 I C 2.551 178.780 176.117 0.187 0.000 1.097 872 I CA 1.819 63.181 61.300 0.103 0.000 1.363 872 I CB -0.268 37.755 38.000 0.039 0.000 1.051 872 I HN 0.400 nan 8.210 nan 0.000 0.413 873 E N 1.206 121.495 120.200 0.149 0.000 2.077 873 E HA -0.225 4.128 4.350 0.006 0.000 0.193 873 E C 2.053 178.742 176.600 0.149 0.000 0.989 873 E CA 1.419 57.913 56.400 0.156 0.000 0.800 873 E CB -0.040 29.726 29.700 0.111 0.000 0.746 873 E HN 0.342 nan 8.360 nan 0.000 0.452 874 E N -0.400 119.882 120.200 0.137 0.000 2.077 874 E HA -0.190 4.164 4.350 0.006 0.000 0.193 874 E C 2.040 178.752 176.600 0.188 0.000 0.989 874 E CA 0.978 57.453 56.400 0.126 0.000 0.800 874 E CB -0.450 29.328 29.700 0.130 0.000 0.746 874 E HN 0.370 nan 8.360 nan 0.000 0.452 875 F N 2.071 122.070 119.950 0.083 0.000 2.134 875 F HA -0.197 4.333 4.527 0.005 0.000 0.299 875 F C 2.399 178.256 175.800 0.095 0.000 1.097 875 F CA 1.728 59.770 58.000 0.070 0.000 1.264 875 F CB -0.244 38.779 39.000 0.038 0.000 1.001 875 F HN -0.095 nan 8.300 nan 0.000 0.479 876 T N 1.588 116.344 114.554 0.338 0.000 2.708 876 T HA -0.176 4.178 4.350 0.006 0.000 0.266 876 T C 2.086 176.982 174.700 0.326 0.000 1.037 876 T CA 1.799 64.103 62.100 0.340 0.000 1.146 876 T CB -0.586 68.530 68.868 0.413 0.000 0.865 876 T HN 0.208 nan 8.240 nan 0.000 0.435 877 L N 1.502 122.814 121.223 0.148 0.000 1.970 877 L HA -0.177 4.166 4.340 0.006 0.000 0.212 877 L C 2.997 179.872 176.870 0.008 0.000 1.071 877 L CA 1.800 56.601 54.840 -0.065 0.000 0.751 877 L CB -0.879 41.056 42.059 -0.206 0.000 0.889 877 L HN 0.380 nan 8.230 nan 0.000 0.432 878 S N -1.284 114.453 115.700 0.061 0.000 2.368 878 S HA -0.280 4.194 4.470 0.006 0.000 0.225 878 S C 2.202 176.938 174.600 0.227 0.000 1.030 878 S CA 1.191 59.492 58.200 0.168 0.000 0.999 878 S CB -1.377 61.965 63.200 0.236 0.000 0.844 878 S HN 0.542 nan 8.310 nan 0.000 0.459 879 C N 2.274 121.597 119.300 0.038 0.000 2.413 879 C HA 0.063 4.527 4.460 0.006 0.000 0.276 879 C C 3.153 178.375 174.990 0.386 0.000 1.248 879 C CA 0.944 60.002 59.018 0.067 0.000 1.742 879 C CB -1.838 25.764 27.740 -0.231 0.000 2.017 879 C HN 0.701 nan 8.230 nan 0.000 0.481 880 A N 0.367 123.459 122.820 0.454 0.000 1.877 880 A HA 0.062 4.385 4.320 0.006 0.000 0.216 880 A C 2.483 180.129 177.584 0.105 0.000 1.186 880 A CA 2.258 54.465 52.037 0.283 0.000 0.620 880 A CB -1.544 17.523 19.000 0.112 0.000 0.822 880 A HN 0.685 nan 8.150 nan 0.000 0.443 881 G N -1.608 107.177 108.800 -0.025 0.000 2.459 881 G HA2 -0.235 3.728 3.960 0.006 0.000 0.217 881 G HA3 -0.235 3.728 3.960 0.006 0.000 0.217 881 G C 1.478 176.414 174.900 0.059 0.000 1.183 881 G CA 1.305 46.325 45.100 -0.135 0.000 0.776 881 G HN 0.547 nan 8.290 nan 0.000 0.552 882 Y N 0.031 120.475 120.300 0.241 0.000 2.263 882 Y HA -0.029 4.524 4.550 0.005 0.000 0.292 882 Y C 3.121 179.106 175.900 0.142 0.000 1.130 882 Y CA 0.526 58.742 58.100 0.193 0.000 1.179 882 Y CB -0.559 38.032 38.460 0.220 0.000 0.998 882 Y HN 0.217 nan 8.280 nan 0.000 0.532 883 C N -1.097 118.382 119.300 0.298 0.000 2.429 883 C HA -0.131 4.332 4.460 0.006 0.000 0.277 883 C C 2.758 177.853 174.990 0.174 0.000 1.262 883 C CA 0.952 60.037 59.018 0.111 0.000 1.733 883 C CB -1.056 26.762 27.740 0.129 0.000 2.010 883 C HN 0.351 nan 8.230 nan 0.000 0.483 884 V N 1.095 121.252 119.914 0.405 0.000 2.323 884 V HA -0.143 3.980 4.120 0.006 0.000 0.244 884 V C 2.690 179.077 176.094 0.489 0.000 1.041 884 V CA 2.092 64.746 62.300 0.589 0.000 1.025 884 V CB -1.240 30.887 31.823 0.507 0.000 0.656 884 V HN 0.574 nan 8.190 nan 0.000 0.451 885 A N 0.982 124.020 122.820 0.364 0.000 1.883 885 A HA -0.254 4.070 4.320 0.006 0.000 0.217 885 A C 2.490 180.184 177.584 0.184 0.000 1.186 885 A CA 2.786 54.959 52.037 0.226 0.000 0.624 885 A CB -1.094 17.993 19.000 0.144 0.000 0.822 885 A HN 0.633 nan 8.150 nan 0.000 0.444 886 T N -3.735 110.933 114.554 0.189 0.000 2.904 886 T HA -0.173 4.180 4.350 0.006 0.000 0.267 886 T C 1.831 176.658 174.700 0.212 0.000 1.059 886 T CA 1.449 63.648 62.100 0.166 0.000 1.137 886 T CB -0.528 68.402 68.868 0.104 0.000 0.879 886 T HN 0.464 nan 8.240 nan 0.000 0.467 887 Y N 2.263 122.650 120.300 0.146 0.000 2.114 887 Y HA -0.034 4.520 4.550 0.006 0.000 0.284 887 Y C 2.376 178.431 175.900 0.258 0.000 1.143 887 Y CA 0.875 59.109 58.100 0.224 0.000 1.135 887 Y CB -0.706 37.981 38.460 0.378 0.000 0.980 887 Y HN 0.048 nan 8.280 nan 0.000 0.499 888 V N 0.733 120.740 119.914 0.155 0.000 2.332 888 V HA -0.306 3.818 4.120 0.006 0.000 0.248 888 V C 2.194 178.230 176.094 -0.097 0.000 1.055 888 V CA 2.153 64.436 62.300 -0.029 0.000 1.038 888 V CB -0.653 31.196 31.823 0.043 0.000 0.651 888 V HN 0.449 nan 8.190 nan 0.000 0.450 889 L N 0.076 121.275 121.223 -0.041 0.000 2.592 889 L HA 0.328 4.672 4.340 0.006 0.000 0.227 889 L C 1.554 178.387 176.870 -0.063 0.000 1.127 889 L CA 0.671 55.454 54.840 -0.096 0.000 0.884 889 L CB -0.501 41.550 42.059 -0.014 0.000 1.065 889 L HN 0.515 nan 8.230 nan 0.000 0.457 890 G N 1.599 110.437 108.800 0.064 0.000 2.273 890 G HA2 -0.296 3.667 3.960 0.006 0.000 0.280 890 G HA3 -0.296 3.667 3.960 0.006 0.000 0.280 890 G C 0.045 174.987 174.900 0.070 0.000 1.047 890 G CA -0.100 45.027 45.100 0.045 0.000 0.869 890 G HN 0.329 nan 8.290 nan 0.000 0.502 891 I N 1.563 122.230 120.570 0.162 0.000 2.308 891 I HA 0.479 4.653 4.170 0.006 0.000 0.293 891 I C 1.350 177.585 176.117 0.197 0.000 1.078 891 I CA 0.422 61.862 61.300 0.234 0.000 1.292 891 I CB 0.787 38.973 38.000 0.311 0.000 1.423 891 I HN 0.218 nan 8.210 nan 0.000 0.493 892 G N 2.927 111.831 108.800 0.172 0.000 2.642 892 G HA2 0.289 4.252 3.960 0.006 0.000 0.291 892 G HA3 0.289 4.252 3.960 0.006 0.000 0.291 892 G C -0.058 174.906 174.900 0.106 0.000 1.345 892 G CA -0.305 44.865 45.100 0.117 0.000 1.043 892 G HN 0.643 nan 8.290 nan 0.000 0.528 893 D N -1.417 119.020 120.400 0.061 0.000 2.772 893 D HA -0.138 4.505 4.640 0.006 0.000 0.233 893 D C 0.230 176.494 176.300 -0.060 0.000 1.143 893 D CA 0.458 54.496 54.000 0.063 0.000 0.700 893 D CB -0.536 40.325 40.800 0.101 0.000 1.076 893 D HN 0.243 nan 8.370 nan 0.000 0.430 894 R N 0.949 121.435 120.500 -0.023 0.000 2.265 894 R HA 0.514 4.858 4.340 0.006 0.000 0.314 894 R C 0.548 176.790 176.300 -0.096 0.000 1.053 894 R CA -0.164 55.886 56.100 -0.083 0.000 0.931 894 R CB 0.861 31.236 30.300 0.126 0.000 1.024 894 R HN 0.574 nan 8.270 nan 0.000 0.457 895 H N -2.491 116.580 119.070 0.003 0.000 2.933 895 H HA 0.202 4.761 4.556 0.005 0.000 0.310 895 H C 0.674 175.973 175.328 -0.048 0.000 1.351 895 H CA -0.560 55.470 56.048 -0.031 0.000 1.137 895 H CB 0.278 30.020 29.762 -0.034 0.000 1.853 895 H HN 0.330 nan 8.280 nan 0.000 0.539 896 S N -1.333 114.466 115.700 0.165 0.000 2.507 896 S HA -0.144 4.329 4.470 0.006 0.000 0.235 896 S C 0.533 175.160 174.600 0.045 0.000 0.988 896 S CA 1.380 59.622 58.200 0.070 0.000 0.944 896 S CB -0.346 62.874 63.200 0.034 0.000 0.762 896 S HN 0.606 nan 8.310 nan 0.000 0.526 897 D N 2.284 122.787 120.400 0.172 0.000 2.333 897 D HA 0.025 4.668 4.640 0.006 0.000 0.208 897 D C 1.205 177.513 176.300 0.013 0.000 0.984 897 D CA 0.680 54.740 54.000 0.100 0.000 0.873 897 D CB -0.195 40.688 40.800 0.138 0.000 0.935 897 D HN 0.878 nan 8.370 nan 0.000 0.521 898 N N 0.092 118.746 118.700 -0.078 0.000 2.235 898 N HA 0.104 4.847 4.740 0.006 0.000 0.231 898 N C -0.028 175.271 175.510 -0.350 0.000 1.177 898 N CA -0.111 52.805 53.050 -0.223 0.000 0.874 898 N CB 1.089 39.408 38.487 -0.281 0.000 1.097 898 N HN 0.006 nan 8.380 nan 0.000 0.518 899 I N 1.490 121.848 120.570 -0.354 0.000 2.433 899 I HA 0.406 4.579 4.170 0.006 0.000 0.292 899 I C -0.351 175.469 176.117 -0.494 0.000 1.001 899 I CA -0.652 60.331 61.300 -0.529 0.000 1.119 899 I CB 1.874 39.628 38.000 -0.411 0.000 1.289 899 I HN -0.090 nan 8.210 nan 0.000 0.438 900 M N 6.315 125.452 119.600 -0.772 0.000 2.664 900 M HA 0.596 5.079 4.480 0.006 0.000 0.314 900 M C -0.957 174.884 176.300 -0.766 0.000 1.200 900 M CA -0.780 54.035 55.300 -0.810 0.000 0.916 900 M CB 3.295 35.258 32.600 -1.061 0.000 1.717 900 M HN 0.489 nan 8.290 nan 0.000 0.470 901 I N 0.956 121.265 120.570 -0.435 0.000 2.545 901 I HA 0.463 4.636 4.170 0.006 0.000 0.292 901 I C -0.738 175.469 176.117 0.150 0.000 1.040 901 I CA -0.675 60.544 61.300 -0.134 0.000 1.068 901 I CB 1.588 39.526 38.000 -0.102 0.000 1.251 901 I HN 0.679 nan 8.210 nan 0.000 0.424 902 R N 4.964 125.688 120.500 0.373 0.000 2.528 902 R HA 0.240 4.584 4.340 0.006 0.000 0.271 902 R C 0.512 177.131 176.300 0.531 0.000 1.056 902 R CA -0.517 55.863 56.100 0.466 0.000 1.117 902 R CB 0.848 31.387 30.300 0.399 0.000 1.085 902 R HN 0.684 nan 8.270 nan 0.000 0.530 903 E N 0.486 120.945 120.200 0.433 0.000 2.265 903 E HA -0.152 4.201 4.350 0.006 0.000 0.196 903 E C 1.569 178.224 176.600 0.091 0.000 0.996 903 E CA 1.452 57.942 56.400 0.151 0.000 0.832 903 E CB 0.103 29.808 29.700 0.009 0.000 0.756 903 E HN 0.591 nan 8.360 nan 0.000 0.491 904 S N -0.783 115.015 115.700 0.164 0.000 2.474 904 S HA 0.018 4.492 4.470 0.006 0.000 0.235 904 S C 1.721 176.426 174.600 0.174 0.000 0.997 904 S CA 0.682 58.963 58.200 0.136 0.000 0.949 904 S CB 0.243 63.529 63.200 0.144 0.000 0.766 904 S HN 0.404 nan 8.310 nan 0.000 0.517 905 G N 0.111 109.070 108.800 0.266 0.000 2.238 905 G HA2 -0.220 3.743 3.960 0.006 0.000 0.217 905 G HA3 -0.220 3.743 3.960 0.006 0.000 0.217 905 G C -0.119 175.002 174.900 0.367 0.000 0.996 905 G CA -0.157 45.136 45.100 0.323 0.000 0.632 905 G HN 0.562 nan 8.290 nan 0.000 0.503 906 Q N 0.602 120.577 119.800 0.292 0.000 2.271 906 Q HA 0.518 4.861 4.340 0.006 0.000 0.273 906 Q C 0.409 176.564 176.000 0.258 0.000 1.051 906 Q CA 0.032 55.995 55.803 0.266 0.000 0.901 906 Q CB 1.305 30.210 28.738 0.279 0.000 1.174 906 Q HN 0.578 nan 8.270 nan 0.000 0.385 907 L N 4.546 125.825 121.223 0.094 0.000 2.357 907 L HA 0.649 4.992 4.340 0.006 0.000 0.273 907 L C -0.991 175.861 176.870 -0.030 0.000 1.080 907 L CA -0.536 54.236 54.840 -0.112 0.000 0.803 907 L CB 0.409 42.187 42.059 -0.468 0.000 1.174 907 L HN 0.660 nan 8.230 nan 0.000 0.443 908 F N 0.728 120.474 119.950 -0.340 0.000 2.745 908 F HA 0.565 5.095 4.527 0.006 0.000 0.316 908 F C -1.178 174.374 175.800 -0.414 0.000 1.155 908 F CA -1.079 56.523 58.000 -0.664 0.000 0.937 908 F CB 1.139 40.020 39.000 -0.198 0.000 1.361 908 F HN 0.367 nan 8.300 nan 0.000 0.472 909 H N 1.042 119.978 119.070 -0.222 0.000 2.621 909 H HA 0.788 5.347 4.556 0.005 0.000 0.360 909 H C -0.718 174.579 175.328 -0.051 0.000 1.163 909 H CA -0.647 55.304 56.048 -0.162 0.000 1.194 909 H CB 2.835 32.573 29.762 -0.040 0.000 1.649 909 H HN 0.768 nan 8.280 nan 0.000 0.532 910 I N -1.911 118.519 120.570 -0.234 0.000 3.145 910 I HA 0.330 4.503 4.170 0.006 0.000 0.313 910 I C -0.413 175.394 176.117 -0.518 0.000 1.122 910 I CA -1.010 60.154 61.300 -0.227 0.000 0.987 910 I CB 2.117 40.099 38.000 -0.032 0.000 1.236 910 I HN 0.490 nan 8.210 nan 0.000 0.453 911 D N 2.124 122.342 120.400 -0.304 0.000 2.927 911 D HA -0.215 4.428 4.640 0.006 0.000 0.236 911 D C -1.138 175.049 176.300 -0.187 0.000 1.163 911 D CA 0.750 54.661 54.000 -0.148 0.000 0.801 911 D CB -0.766 39.995 40.800 -0.065 0.000 0.975 911 D HN 0.464 nan 8.370 nan 0.000 0.413 912 F N -0.079 119.922 119.950 0.085 0.000 2.462 912 F HA 0.428 4.958 4.527 0.005 0.000 0.354 912 F C 1.954 177.738 175.800 -0.025 0.000 1.192 912 F CA -0.092 57.946 58.000 0.064 0.000 1.173 912 F CB 0.826 39.870 39.000 0.074 0.000 1.402 912 F HN 0.139 nan 8.300 nan 0.000 0.595 913 G N 1.489 110.344 108.800 0.092 0.000 2.464 913 G HA2 -0.058 3.905 3.960 0.006 0.000 0.217 913 G HA3 -0.058 3.905 3.960 0.006 0.000 0.217 913 G C 0.465 175.112 174.900 -0.422 0.000 1.138 913 G CA 0.264 45.274 45.100 -0.150 0.000 0.793 913 G HN 0.491 nan 8.290 nan 0.000 0.539 914 H N -1.178 117.967 119.070 0.124 0.000 2.768 914 H HA 0.528 5.087 4.556 0.006 0.000 0.371 914 H C -1.022 174.437 175.328 0.219 0.000 1.151 914 H CA -0.608 55.519 56.048 0.131 0.000 1.165 914 H CB 2.276 32.148 29.762 0.183 0.000 1.722 914 H HN 0.124 nan 8.280 nan 0.000 0.543 915 F N -0.825 119.216 119.950 0.151 0.000 2.789 915 F HA 0.352 4.882 4.527 0.006 0.000 0.319 915 F C -0.278 175.461 175.800 -0.102 0.000 1.168 915 F CA -2.078 55.945 58.000 0.039 0.000 0.934 915 F CB 0.048 39.075 39.000 0.045 0.000 1.375 915 F HN 0.530 nan 8.300 nan 0.000 0.480 916 L N 1.374 122.409 121.223 -0.312 0.000 3.781 916 L HA -0.141 4.203 4.340 0.006 0.000 0.426 916 L C 1.112 177.354 176.870 -1.047 0.000 1.197 916 L CA 1.020 55.339 54.840 -0.867 0.000 0.907 916 L CB -2.077 39.616 42.059 -0.610 0.000 1.812 916 L HN 1.698 nan 8.230 nan 0.000 0.956 917 G N -0.725 107.615 108.800 -0.768 0.000 2.155 917 G HA2 -0.342 3.621 3.960 0.006 0.000 0.257 917 G HA3 -0.342 3.621 3.960 0.006 0.000 0.257 917 G C 0.147 175.021 174.900 -0.043 0.000 0.983 917 G CA 0.589 45.469 45.100 -0.368 0.000 0.676 917 G HN 0.692 nan 8.290 nan 0.000 0.528 918 N N 0.409 119.128 118.700 0.032 0.000 2.602 918 N HA 0.526 5.269 4.740 0.006 0.000 0.238 918 N C 0.321 175.983 175.510 0.253 0.000 1.084 918 N CA -0.650 52.501 53.050 0.168 0.000 0.952 918 N CB 0.230 38.831 38.487 0.190 0.000 1.244 918 N HN 0.219 nan 8.380 nan 0.000 0.512 930 V N 5.503 125.595 119.914 0.297 0.000 2.521 930 V HA 0.615 4.739 4.120 0.006 0.000 0.286 930 V C -1.815 174.433 176.094 0.258 0.000 1.034 930 V CA -1.109 61.323 62.300 0.219 0.000 1.045 930 V CB 0.613 32.549 31.823 0.188 0.000 0.974 930 V HN 0.692 nan 8.190 nan 0.000 0.480 931 P HA 0.162 nan 4.420 nan 0.000 0.274 931 P C -0.591 176.897 177.300 0.314 0.000 1.246 931 P CA -0.406 62.837 63.100 0.237 0.000 0.795 931 P CB 0.484 32.253 31.700 0.115 0.000 1.006 932 F N 1.492 121.480 119.950 0.065 0.000 2.538 932 F HA 0.139 4.670 4.527 0.006 0.000 0.371 932 F C 0.240 176.016 175.800 -0.041 0.000 1.087 932 F CA 0.168 58.109 58.000 -0.098 0.000 1.250 932 F CB 0.143 38.821 39.000 -0.537 0.000 1.110 932 F HN 0.050 nan 8.300 nan 0.000 0.570 933 I N 7.960 128.272 120.570 -0.430 0.000 2.362 933 I HA 0.296 4.470 4.170 0.006 0.000 0.289 933 I C -0.652 175.353 176.117 -0.186 0.000 0.994 933 I CA -0.636 60.549 61.300 -0.192 0.000 1.158 933 I CB 1.197 39.153 38.000 -0.074 0.000 1.315 933 I HN 0.506 nan 8.210 nan 0.000 0.451 934 L N 6.178 127.388 121.223 -0.022 0.000 2.325 934 L HA 0.456 4.800 4.340 0.006 0.000 0.281 934 L C 0.018 176.911 176.870 0.037 0.000 1.004 934 L CA -0.356 54.529 54.840 0.075 0.000 0.823 934 L CB 2.082 44.205 42.059 0.108 0.000 1.236 934 L HN 0.537 nan 8.230 nan 0.000 0.415 935 T N 0.704 115.248 114.554 -0.017 0.000 2.867 935 T HA 0.138 4.492 4.350 0.006 0.000 0.282 935 T C 0.568 175.253 174.700 -0.025 0.000 1.000 935 T CA -0.338 61.657 62.100 -0.174 0.000 1.042 935 T CB 1.703 70.117 68.868 -0.755 0.000 0.973 935 T HN 0.408 nan 8.240 nan 0.000 0.465 936 Y N 2.327 122.594 120.300 -0.056 0.000 2.128 936 Y HA -0.196 4.357 4.550 0.005 0.000 0.284 936 Y C 1.953 177.889 175.900 0.060 0.000 1.154 936 Y CA 1.823 59.950 58.100 0.045 0.000 1.149 936 Y CB -0.178 38.361 38.460 0.132 0.000 0.976 936 Y HN 0.626 nan 8.280 nan 0.000 0.505 937 D N -0.630 119.803 120.400 0.056 0.000 2.218 937 D HA -0.154 4.489 4.640 0.006 0.000 0.204 937 D C 1.971 178.459 176.300 0.313 0.000 0.976 937 D CA 1.051 55.102 54.000 0.084 0.000 0.853 937 D CB -0.309 40.566 40.800 0.124 0.000 0.939 937 D HN 0.306 nan 8.370 nan 0.000 0.481 938 F N 0.433 120.481 119.950 0.164 0.000 2.187 938 F HA -0.049 4.482 4.527 0.006 0.000 0.295 938 F C 2.531 178.439 175.800 0.180 0.000 1.091 938 F CA 0.035 58.231 58.000 0.327 0.000 1.308 938 F CB -1.242 37.933 39.000 0.292 0.000 1.030 938 F HN -0.160 nan 8.300 nan 0.000 0.487 939 V N -0.123 119.931 119.914 0.233 0.000 2.392 939 V HA -0.318 3.805 4.120 0.006 0.000 0.249 939 V C 2.384 178.485 176.094 0.011 0.000 1.059 939 V CA 2.268 64.627 62.300 0.098 0.000 1.051 939 V CB -0.995 30.875 31.823 0.077 0.000 0.658 939 V HN 0.343 nan 8.190 nan 0.000 0.455 940 H N -0.144 118.807 119.070 -0.199 0.000 2.353 940 H HA -0.126 4.434 4.556 0.005 0.000 0.300 940 H C 2.065 177.312 175.328 -0.135 0.000 1.090 940 H CA 2.105 58.002 56.048 -0.252 0.000 1.327 940 H CB -0.128 29.420 29.762 -0.356 0.000 1.383 940 H HN 0.192 nan 8.280 nan 0.000 0.508 941 V N 0.382 120.237 119.914 -0.098 0.000 2.307 941 V HA -0.217 3.906 4.120 0.006 0.000 0.245 941 V C 2.547 178.555 176.094 -0.143 0.000 1.045 941 V CA 1.855 63.999 62.300 -0.260 0.000 1.024 941 V CB -0.521 30.899 31.823 -0.671 0.000 0.651 941 V HN 0.431 nan 8.190 nan 0.000 0.449 942 I N -0.134 120.450 120.570 0.024 0.000 2.194 942 I HA -0.337 3.837 4.170 0.006 0.000 0.246 942 I C 2.241 178.386 176.117 0.046 0.000 1.093 942 I CA 1.696 63.047 61.300 0.085 0.000 1.355 942 I CB -0.335 37.677 38.000 0.020 0.000 1.046 942 I HN 0.392 nan 8.210 nan 0.000 0.413 943 Q N 0.517 120.306 119.800 -0.018 0.000 2.322 943 Q HA 0.016 4.359 4.340 0.006 0.000 0.203 943 Q C -0.053 175.874 176.000 -0.123 0.000 0.923 943 Q CA 0.001 55.779 55.803 -0.042 0.000 0.949 943 Q CB 0.285 28.983 28.738 -0.066 0.000 1.039 943 Q HN 0.460 nan 8.270 nan 0.000 0.496 944 Q N -1.494 118.222 119.800 -0.141 0.000 2.480 944 Q HA -0.301 4.042 4.340 0.006 0.000 0.265 944 Q C 0.724 176.587 176.000 -0.229 0.000 1.072 944 Q CA 0.355 56.070 55.803 -0.146 0.000 1.018 944 Q CB -1.950 26.745 28.738 -0.071 0.000 1.433 944 Q HN 0.711 nan 8.270 nan 0.000 0.513 945 G N -0.751 107.775 108.800 -0.457 0.000 2.217 945 G HA2 -0.323 3.640 3.960 0.006 0.000 0.246 945 G HA3 -0.323 3.640 3.960 0.006 0.000 0.246 945 G C 0.066 174.723 174.900 -0.406 0.000 0.990 945 G CA 0.286 45.014 45.100 -0.620 0.000 0.627 945 G HN 0.264 nan 8.290 nan 0.000 0.522 946 K N 0.894 121.144 120.400 -0.251 0.000 2.298 946 K HA 0.476 4.800 4.320 0.006 0.000 0.280 946 K C 1.417 177.961 176.600 -0.094 0.000 1.032 946 K CA 0.180 56.394 56.287 -0.122 0.000 0.958 946 K CB 0.990 33.443 32.500 -0.078 0.000 0.978 946 K HN 0.083 nan 8.250 nan 0.000 0.472 947 T N 1.423 115.951 114.554 -0.043 0.000 2.684 947 T HA -0.101 4.252 4.350 0.006 0.000 0.267 947 T C 0.476 175.152 174.700 -0.041 0.000 1.036 947 T CA 1.233 63.317 62.100 -0.027 0.000 1.148 947 T CB -0.058 68.791 68.868 -0.032 0.000 0.863 947 T HN 0.526 nan 8.240 nan 0.000 0.436 948 N N 2.229 120.906 118.700 -0.038 0.000 2.407 948 N HA 0.352 5.095 4.740 0.006 0.000 0.277 948 N C -1.195 174.304 175.510 -0.019 0.000 0.995 948 N CA -0.297 52.734 53.050 -0.032 0.000 0.903 948 N CB 1.461 39.934 38.487 -0.023 0.000 1.218 948 N HN 0.065 nan 8.380 nan 0.000 0.487 949 N N 0.658 119.357 118.700 -0.002 0.000 2.785 949 N HA -0.015 4.728 4.740 0.006 0.000 0.224 949 N C 0.490 176.058 175.510 0.098 0.000 1.448 949 N CA -0.146 52.924 53.050 0.034 0.000 0.748 949 N CB 0.253 38.754 38.487 0.022 0.000 1.385 949 N HN 0.403 nan 8.380 nan 0.000 0.538 950 S N -0.315 115.441 115.700 0.092 0.000 2.423 950 S HA -0.110 4.363 4.470 0.006 0.000 0.231 950 S C 1.472 176.165 174.600 0.156 0.000 1.014 950 S CA 1.048 59.341 58.200 0.155 0.000 0.965 950 S CB 0.003 63.268 63.200 0.107 0.000 0.785 950 S HN 0.572 nan 8.310 nan 0.000 0.495 951 E N 1.291 121.549 120.200 0.097 0.000 2.031 951 E HA -0.186 4.167 4.350 0.006 0.000 0.193 951 E C 1.825 178.471 176.600 0.077 0.000 0.994 951 E CA 1.130 57.571 56.400 0.068 0.000 0.800 951 E CB -0.022 29.706 29.700 0.046 0.000 0.752 951 E HN 0.320 nan 8.360 nan 0.000 0.447 952 K N 0.068 120.531 120.400 0.105 0.000 2.062 952 K HA -0.118 4.205 4.320 0.006 0.000 0.205 952 K C 2.011 178.722 176.600 0.184 0.000 1.051 952 K CA 0.786 57.146 56.287 0.120 0.000 0.941 952 K CB -0.601 31.967 32.500 0.113 0.000 0.719 952 K HN 0.203 nan 8.250 nan 0.000 0.440 953 F N 2.830 122.841 119.950 0.102 0.000 2.186 953 F HA -0.135 4.395 4.527 0.006 0.000 0.299 953 F C 1.976 177.912 175.800 0.227 0.000 1.090 953 F CA 1.425 59.542 58.000 0.194 0.000 1.307 953 F CB 0.168 39.268 39.000 0.167 0.000 1.019 953 F HN -0.007 nan 8.300 nan 0.000 0.489 954 E N 0.215 120.478 120.200 0.105 0.000 2.208 954 E HA -0.112 4.242 4.350 0.006 0.000 0.193 954 E C 2.365 178.840 176.600 -0.209 0.000 0.988 954 E CA 0.523 56.883 56.400 -0.067 0.000 0.828 954 E CB -0.347 29.371 29.700 0.029 0.000 0.763 954 E HN 0.481 nan 8.360 nan 0.000 0.478 955 R N -0.010 120.379 120.500 -0.185 0.000 2.091 955 R HA -0.140 4.203 4.340 0.006 0.000 0.238 955 R C 2.309 178.189 176.300 -0.699 0.000 1.136 955 R CA 1.346 57.207 56.100 -0.398 0.000 0.959 955 R CB -0.473 29.664 30.300 -0.272 0.000 0.856 955 R HN 0.178 nan 8.270 nan 0.000 0.437 956 F N 1.677 121.333 119.950 -0.490 0.000 2.146 956 F HA -0.145 4.385 4.527 0.005 0.000 0.298 956 F C 2.534 178.158 175.800 -0.293 0.000 1.096 956 F CA 1.328 59.139 58.000 -0.314 0.000 1.275 956 F CB -0.236 38.707 39.000 -0.095 0.000 1.008 956 F HN -0.195 nan 8.300 nan 0.000 0.480 957 R N 0.500 120.608 120.500 -0.653 0.000 2.091 957 R HA -0.143 4.201 4.340 0.006 0.000 0.238 957 R C 2.471 178.396 176.300 -0.625 0.000 1.136 957 R CA 1.621 57.221 56.100 -0.833 0.000 0.959 957 R CB -1.236 28.565 30.300 -0.831 0.000 0.856 957 R HN 0.505 nan 8.270 nan 0.000 0.437 958 G N 0.067 108.569 108.800 -0.497 0.000 2.476 958 G HA2 -0.291 3.672 3.960 0.006 0.000 0.218 958 G HA3 -0.291 3.672 3.960 0.006 0.000 0.218 958 G C 1.017 175.755 174.900 -0.271 0.000 1.164 958 G CA 1.007 45.888 45.100 -0.366 0.000 0.768 958 G HN 0.328 nan 8.290 nan 0.000 0.560 959 Y N 0.676 120.811 120.300 -0.274 0.000 2.114 959 Y HA -0.156 4.397 4.550 0.006 0.000 0.282 959 Y C 3.229 178.921 175.900 -0.346 0.000 1.165 959 Y CA 0.256 58.188 58.100 -0.280 0.000 1.148 959 Y CB -1.387 36.941 38.460 -0.220 0.000 0.972 959 Y HN 0.228 nan 8.280 nan 0.000 0.504 960 C N 0.021 119.168 119.300 -0.254 0.000 2.413 960 C HA -0.205 4.259 4.460 0.006 0.000 0.276 960 C C 2.615 177.457 174.990 -0.246 0.000 1.236 960 C CA 1.194 60.103 59.018 -0.182 0.000 1.735 960 C CB -1.053 26.630 27.740 -0.095 0.000 2.031 960 C HN 0.573 nan 8.230 nan 0.000 0.474 961 E N 0.182 120.196 120.200 -0.310 0.000 2.051 961 E HA -0.235 4.118 4.350 0.006 0.000 0.192 961 E C 2.372 178.844 176.600 -0.214 0.000 0.991 961 E CA 0.993 57.187 56.400 -0.343 0.000 0.799 961 E CB -0.285 29.259 29.700 -0.262 0.000 0.748 961 E HN 0.539 nan 8.360 nan 0.000 0.449 962 R N 0.657 121.057 120.500 -0.166 0.000 2.083 962 R HA -0.178 4.166 4.340 0.006 0.000 0.237 962 R C 2.272 178.494 176.300 -0.130 0.000 1.137 962 R CA 1.466 57.497 56.100 -0.116 0.000 0.951 962 R CB -0.216 30.032 30.300 -0.086 0.000 0.851 962 R HN 0.151 nan 8.270 nan 0.000 0.434 963 A N -0.183 122.486 122.820 -0.251 0.000 1.877 963 A HA -0.222 4.102 4.320 0.006 0.000 0.216 963 A C 2.035 179.723 177.584 0.174 0.000 1.186 963 A CA 1.387 53.216 52.037 -0.346 0.000 0.620 963 A CB -0.922 17.606 19.000 -0.786 0.000 0.822 963 A HN 0.611 nan 8.150 nan 0.000 0.443 964 Y N 1.955 122.180 120.300 -0.125 0.000 2.181 964 Y HA -0.224 4.329 4.550 0.005 0.000 0.288 964 Y C 2.854 178.701 175.900 -0.087 0.000 1.146 964 Y CA 2.427 60.434 58.100 -0.155 0.000 1.164 964 Y CB -0.632 37.413 38.460 -0.693 0.000 0.982 964 Y HN 0.458 nan 8.280 nan 0.000 0.515 965 T N -1.824 112.654 114.554 -0.128 0.000 2.904 965 T HA -0.152 4.201 4.350 0.006 0.000 0.267 965 T C 1.980 176.632 174.700 -0.080 0.000 1.059 965 T CA 1.537 63.544 62.100 -0.155 0.000 1.137 965 T CB -0.820 68.003 68.868 -0.075 0.000 0.879 965 T HN 0.392 nan 8.240 nan 0.000 0.467 966 I N 1.166 121.769 120.570 0.055 0.000 2.179 966 I HA -0.112 4.061 4.170 0.006 0.000 0.242 966 I C 2.580 178.819 176.117 0.203 0.000 1.088 966 I CA 1.260 62.666 61.300 0.177 0.000 1.357 966 I CB -0.448 37.776 38.000 0.373 0.000 1.051 966 I HN 0.197 nan 8.210 nan 0.000 0.409 967 L N 0.088 121.431 121.223 0.201 0.000 2.012 967 L HA -0.238 4.105 4.340 0.006 0.000 0.210 967 L C 2.791 179.679 176.870 0.029 0.000 1.073 967 L CA 1.497 56.426 54.840 0.148 0.000 0.748 967 L CB -0.784 41.278 42.059 0.005 0.000 0.891 967 L HN 0.218 nan 8.230 nan 0.000 0.431 968 R N 0.031 120.417 120.500 -0.189 0.000 2.103 968 R HA -0.198 4.145 4.340 0.006 0.000 0.242 968 R C 2.392 178.618 176.300 -0.124 0.000 1.142 968 R CA 1.510 57.483 56.100 -0.212 0.000 0.960 968 R CB -0.390 29.721 30.300 -0.316 0.000 0.858 968 R HN 0.395 nan 8.270 nan 0.000 0.439 969 R N -0.473 119.940 120.500 -0.144 0.000 2.152 969 R HA -0.081 4.262 4.340 0.006 0.000 0.232 969 R C 1.109 177.193 176.300 -0.361 0.000 1.117 969 R CA 0.892 56.843 56.100 -0.248 0.000 0.981 969 R CB -0.055 30.058 30.300 -0.311 0.000 0.870 969 R HN 0.430 nan 8.270 nan 0.000 0.451 970 H N -1.394 117.687 119.070 0.018 0.000 2.505 970 H HA 0.161 4.720 4.556 0.006 0.000 0.286 970 H C 1.628 177.003 175.328 0.079 0.000 1.072 970 H CA 0.271 56.327 56.048 0.013 0.000 1.141 970 H CB 0.626 30.386 29.762 -0.004 0.000 1.550 970 H HN 0.310 nan 8.280 nan 0.000 0.547 971 G N 1.137 110.008 108.800 0.118 0.000 2.469 971 G HA2 -0.231 3.733 3.960 0.006 0.000 0.220 971 G HA3 -0.231 3.733 3.960 0.006 0.000 0.220 971 G C 1.713 176.632 174.900 0.031 0.000 1.136 971 G CA 0.308 45.471 45.100 0.105 0.000 0.759 971 G HN 0.319 nan 8.290 nan 0.000 0.562 972 L N -0.432 120.738 121.223 -0.087 0.000 2.141 972 L HA 0.003 4.346 4.340 0.006 0.000 0.209 972 L C 2.668 179.260 176.870 -0.464 0.000 1.094 972 L CA 0.355 55.011 54.840 -0.307 0.000 0.763 972 L CB -0.305 41.586 42.059 -0.282 0.000 0.908 972 L HN 0.257 nan 8.230 nan 0.000 0.437 973 L N -0.730 120.354 121.223 -0.232 0.000 2.056 973 L HA -0.171 4.173 4.340 0.006 0.000 0.207 973 L C 2.265 178.990 176.870 -0.242 0.000 1.078 973 L CA 1.809 56.489 54.840 -0.268 0.000 0.749 973 L CB -0.496 41.392 42.059 -0.285 0.000 0.901 973 L HN -0.015 nan 8.230 nan 0.000 0.433 974 F N -0.513 119.395 119.950 -0.070 0.000 2.134 974 F HA -0.204 4.326 4.527 0.005 0.000 0.299 974 F C 2.296 178.132 175.800 0.061 0.000 1.097 974 F CA 1.580 59.592 58.000 0.021 0.000 1.264 974 F CB -0.763 38.204 39.000 -0.055 0.000 1.001 974 F HN 0.001 nan 8.300 nan 0.000 0.479 975 L N -0.841 120.442 121.223 0.101 0.000 2.012 975 L HA -0.287 4.057 4.340 0.006 0.000 0.210 975 L C 2.422 179.383 176.870 0.152 0.000 1.073 975 L CA 1.852 56.726 54.840 0.056 0.000 0.748 975 L CB -1.005 41.025 42.059 -0.049 0.000 0.891 975 L HN 0.294 nan 8.230 nan 0.000 0.431 976 H N -0.718 118.392 119.070 0.067 0.000 2.389 976 H HA -0.112 4.448 4.556 0.005 0.000 0.299 976 H C 2.374 177.715 175.328 0.021 0.000 1.081 976 H CA 0.705 56.771 56.048 0.029 0.000 1.345 976 H CB 0.120 29.861 29.762 -0.036 0.000 1.393 976 H HN 0.255 nan 8.280 nan 0.000 0.520 977 L N -0.416 120.879 121.223 0.121 0.000 2.072 977 L HA -0.143 4.200 4.340 0.006 0.000 0.205 977 L C 1.890 178.791 176.870 0.051 0.000 1.079 977 L CA 0.837 55.696 54.840 0.031 0.000 0.752 977 L CB -0.294 41.742 42.059 -0.038 0.000 0.906 977 L HN 0.209 nan 8.230 nan 0.000 0.436 978 F N 0.213 120.184 119.950 0.034 0.000 2.171 978 F HA -0.195 4.336 4.527 0.006 0.000 0.300 978 F C 2.581 178.408 175.800 0.044 0.000 1.090 978 F CA 1.196 59.215 58.000 0.032 0.000 1.293 978 F CB -0.703 38.304 39.000 0.012 0.000 1.013 978 F HN 0.009 nan 8.300 nan 0.000 0.486 979 A N 0.158 123.115 122.820 0.229 0.000 1.908 979 A HA -0.168 4.155 4.320 0.006 0.000 0.218 979 A C 2.238 179.913 177.584 0.151 0.000 1.181 979 A CA 1.581 53.723 52.037 0.176 0.000 0.627 979 A CB -1.097 18.014 19.000 0.184 0.000 0.818 979 A HN 0.392 nan 8.150 nan 0.000 0.445 980 L N -1.412 119.879 121.223 0.114 0.000 2.201 980 L HA -0.119 4.225 4.340 0.006 0.000 0.212 980 L C 2.488 179.345 176.870 -0.022 0.000 1.105 980 L CA 0.653 55.543 54.840 0.083 0.000 0.775 980 L CB -0.448 41.628 42.059 0.030 0.000 0.913 980 L HN 0.306 nan 8.230 nan 0.000 0.440 981 M N -0.400 119.167 119.600 -0.055 0.000 2.476 981 M HA -0.073 4.411 4.480 0.006 0.000 0.262 981 M C 2.122 178.375 176.300 -0.078 0.000 1.079 981 M CA 1.233 56.459 55.300 -0.123 0.000 1.104 981 M CB -0.847 31.618 32.600 -0.225 0.000 1.409 981 M HN 0.154 nan 8.290 nan 0.000 0.467 982 R N -0.453 120.046 120.500 -0.002 0.000 2.249 982 R HA -0.075 4.268 4.340 0.006 0.000 0.230 982 R C 1.949 178.216 176.300 -0.055 0.000 1.121 982 R CA 1.182 57.292 56.100 0.017 0.000 0.997 982 R CB -0.450 29.901 30.300 0.086 0.000 0.867 982 R HN 0.348 nan 8.270 nan 0.000 0.465 983 A N 0.911 123.623 122.820 -0.180 0.000 2.066 983 A HA 0.029 4.352 4.320 0.006 0.000 0.218 983 A C 2.248 179.649 177.584 -0.305 0.000 1.157 983 A CA 1.232 52.998 52.037 -0.452 0.000 0.670 983 A CB -0.229 18.183 19.000 -0.980 0.000 0.804 983 A HN 0.356 nan 8.150 nan 0.000 0.453 984 A N -1.364 121.333 122.820 -0.205 0.000 1.968 984 A HA 0.346 4.669 4.320 0.006 0.000 0.217 984 A C 1.995 179.499 177.584 -0.133 0.000 1.169 984 A CA 1.512 53.455 52.037 -0.157 0.000 0.638 984 A CB -0.871 18.052 19.000 -0.130 0.000 0.812 984 A HN 1.846 nan 8.150 nan 0.000 0.446 985 G N -1.762 106.968 108.800 -0.116 0.000 2.137 985 G HA2 -0.150 3.813 3.960 0.006 0.000 0.237 985 G HA3 -0.150 3.813 3.960 0.006 0.000 0.237 985 G C -0.176 174.685 174.900 -0.064 0.000 1.002 985 G CA 0.053 45.095 45.100 -0.097 0.000 0.702 985 G HN 0.324 nan 8.290 nan 0.000 0.515 986 L N 0.256 121.448 121.223 -0.050 0.000 2.499 986 L HA 0.245 4.588 4.340 0.006 0.000 0.273 986 L C -0.395 176.470 176.870 -0.009 0.000 1.195 986 L CA -1.378 53.439 54.840 -0.039 0.000 0.882 986 L CB 0.437 42.472 42.059 -0.039 0.000 1.133 986 L HN -0.067 nan 8.230 nan 0.000 0.483 987 P HA -0.095 nan 4.420 nan 0.000 0.225 987 P C 0.743 178.069 177.300 0.043 0.000 1.148 987 P CA 1.013 64.115 63.100 0.003 0.000 0.779 987 P CB 0.374 32.068 31.700 -0.009 0.000 0.780 988 E N -1.427 118.819 120.200 0.077 0.000 2.474 988 E HA 0.099 4.452 4.350 0.006 0.000 0.195 988 E C -0.023 176.761 176.600 0.307 0.000 1.039 988 E CA -0.035 56.478 56.400 0.188 0.000 0.881 988 E CB 0.152 29.979 29.700 0.211 0.000 0.970 988 E HN 0.041 nan 8.360 nan 0.000 0.486 989 L N 0.570 121.925 121.223 0.220 0.000 2.502 989 L HA 0.199 4.543 4.340 0.006 0.000 0.249 989 L C 0.174 177.102 176.870 0.098 0.000 1.446 989 L CA -0.032 54.933 54.840 0.208 0.000 0.887 989 L CB 0.641 42.869 42.059 0.281 0.000 1.126 989 L HN -0.100 nan 8.230 nan 0.000 0.509 990 S N -0.637 115.104 115.700 0.069 0.000 2.631 990 S HA 0.275 4.749 4.470 0.006 0.000 0.246 990 S C 0.694 175.299 174.600 0.009 0.000 1.068 990 S CA 0.330 58.543 58.200 0.021 0.000 0.995 990 S CB -0.043 63.161 63.200 0.007 0.000 0.944 990 S HN 0.620 nan 8.310 nan 0.000 0.529 991 C N -0.053 119.263 119.300 0.027 0.000 3.295 991 C HA 0.809 5.272 4.460 0.006 0.000 0.370 991 C C 1.733 176.741 174.990 0.029 0.000 1.974 991 C CA 0.140 59.167 59.018 0.015 0.000 1.282 991 C CB 0.791 28.535 27.740 0.007 0.000 2.380 991 C HN 0.167 nan 8.230 nan 0.000 0.443 992 S N 0.730 116.442 115.700 0.019 0.000 2.368 992 S HA -0.108 4.365 4.470 0.006 0.000 0.224 992 S C 1.599 176.217 174.600 0.030 0.000 1.029 992 S CA 1.581 59.794 58.200 0.021 0.000 0.988 992 S CB -0.421 62.784 63.200 0.009 0.000 0.838 992 S HN 0.755 nan 8.310 nan 0.000 0.462 993 K N 1.753 122.174 120.400 0.035 0.000 2.209 993 K HA -0.019 4.304 4.320 0.006 0.000 0.204 993 K C 1.524 178.171 176.600 0.078 0.000 1.048 993 K CA 0.989 57.308 56.287 0.052 0.000 0.940 993 K CB -0.551 31.982 32.500 0.055 0.000 0.729 993 K HN 0.277 nan 8.250 nan 0.000 0.451 994 D N 0.223 120.661 120.400 0.064 0.000 2.097 994 D HA -0.144 4.499 4.640 0.006 0.000 0.195 994 D C 1.785 178.102 176.300 0.029 0.000 0.989 994 D CA 0.929 54.959 54.000 0.051 0.000 0.827 994 D CB -0.030 40.809 40.800 0.066 0.000 0.966 994 D HN 0.082 nan 8.370 nan 0.000 0.456 995 I N 0.772 121.362 120.570 0.033 0.000 2.252 995 I HA -0.217 3.956 4.170 0.006 0.000 0.245 995 I C 2.427 178.531 176.117 -0.021 0.000 1.102 995 I CA 0.899 62.199 61.300 0.000 0.000 1.385 995 I CB -0.820 37.202 38.000 0.036 0.000 1.064 995 I HN 0.012 nan 8.210 nan 0.000 0.414 996 Q N 0.523 120.329 119.800 0.009 0.000 2.170 996 Q HA -0.254 4.089 4.340 0.006 0.000 0.203 996 Q C 2.167 178.151 176.000 -0.026 0.000 0.976 996 Q CA 1.617 57.414 55.803 -0.010 0.000 0.858 996 Q CB -0.689 28.052 28.738 0.004 0.000 0.907 996 Q HN 0.517 nan 8.270 nan 0.000 0.433 997 Y N -0.224 120.015 120.300 -0.102 0.000 2.128 997 Y HA -0.256 4.297 4.550 0.006 0.000 0.284 997 Y C 1.821 177.605 175.900 -0.193 0.000 1.154 997 Y CA 1.863 59.886 58.100 -0.129 0.000 1.149 997 Y CB -0.097 38.282 38.460 -0.136 0.000 0.976 997 Y HN 0.169 nan 8.280 nan 0.000 0.505 998 L N -0.071 121.111 121.223 -0.067 0.000 2.017 998 L HA -0.259 4.084 4.340 0.006 0.000 0.208 998 L C 2.455 179.213 176.870 -0.187 0.000 1.073 998 L CA 1.603 56.310 54.840 -0.222 0.000 0.745 998 L CB -0.455 41.358 42.059 -0.410 0.000 0.894 998 L HN 0.234 nan 8.230 nan 0.000 0.432 999 K N -0.263 120.054 120.400 -0.139 0.000 2.063 999 K HA -0.216 4.107 4.320 0.006 0.000 0.208 999 K C 1.637 178.172 176.600 -0.108 0.000 1.048 999 K CA 1.707 57.930 56.287 -0.106 0.000 0.928 999 K CB -0.167 32.288 32.500 -0.075 0.000 0.713 999 K HN 0.364 nan 8.250 nan 0.000 0.442 1000 D N 0.061 120.373 120.400 -0.147 0.000 2.123 1000 D HA -0.102 4.541 4.640 0.006 0.000 0.200 1000 D C 2.086 178.319 176.300 -0.112 0.000 0.976 1000 D CA 1.483 55.394 54.000 -0.149 0.000 0.831 1000 D CB -0.233 40.437 40.800 -0.217 0.000 0.974 1000 D HN 0.184 nan 8.370 nan 0.000 0.469 1001 S N 0.331 115.904 115.700 -0.213 0.000 2.382 1001 S HA -0.083 4.390 4.470 0.006 0.000 0.228 1001 S C 2.042 176.727 174.600 0.142 0.000 1.027 1001 S CA 0.631 58.733 58.200 -0.165 0.000 0.991 1001 S CB -0.549 62.438 63.200 -0.355 0.000 0.823 1001 S HN 0.231 nan 8.310 nan 0.000 0.469 1002 L N 1.093 122.331 121.223 0.026 0.000 2.591 1002 L HA 0.351 4.694 4.340 0.006 0.000 0.228 1002 L C 1.435 178.331 176.870 0.043 0.000 1.133 1002 L CA 0.215 55.058 54.840 0.005 0.000 0.880 1002 L CB -0.760 41.218 42.059 -0.134 0.000 1.033 1002 L HN 0.478 nan 8.230 nan 0.000 0.450 1003 A N 0.487 123.349 122.820 0.071 0.000 2.560 1003 A HA -0.219 4.104 4.320 0.006 0.000 0.299 1003 A C 1.407 178.979 177.584 -0.020 0.000 1.484 1003 A CA 0.461 52.512 52.037 0.023 0.000 0.749 1003 A CB -1.686 17.378 19.000 0.106 0.000 1.072 1003 A HN 0.352 nan 8.150 nan 0.000 0.426 1004 L N -0.814 120.383 121.223 -0.044 0.000 2.275 1004 L HA -0.106 4.237 4.340 0.006 0.000 0.215 1004 L C 2.470 179.317 176.870 -0.039 0.000 1.119 1004 L CA 2.183 56.993 54.840 -0.049 0.000 0.790 1004 L CB -1.104 40.921 42.059 -0.056 0.000 0.919 1004 L HN 0.773 nan 8.230 nan 0.000 0.443 1005 G N -0.137 108.639 108.800 -0.041 0.000 2.422 1005 G HA2 -0.170 3.794 3.960 0.006 0.000 0.218 1005 G HA3 -0.170 3.794 3.960 0.006 0.000 0.218 1005 G C 0.989 175.872 174.900 -0.028 0.000 1.140 1005 G CA 0.071 45.151 45.100 -0.034 0.000 0.775 1005 G HN 0.295 nan 8.290 nan 0.000 0.545 1006 K N 0.978 121.360 120.400 -0.030 0.000 2.168 1006 K HA 0.335 4.659 4.320 0.006 0.000 0.258 1006 K C 0.725 177.320 176.600 -0.007 0.000 1.010 1006 K CA -0.120 56.156 56.287 -0.018 0.000 0.929 1006 K CB 0.726 33.216 32.500 -0.017 0.000 0.998 1006 K HN 0.214 nan 8.250 nan 0.000 0.479 1007 T N -2.138 112.417 114.554 0.001 0.000 2.802 1007 T HA -0.034 4.320 4.350 0.006 0.000 0.305 1007 T C 1.221 175.928 174.700 0.011 0.000 1.053 1007 T CA -0.369 61.733 62.100 0.003 0.000 1.058 1007 T CB 1.025 69.896 68.868 0.006 0.000 0.988 1007 T HN 0.744 nan 8.240 nan 0.000 0.539 1008 E N 0.014 120.216 120.200 0.003 0.000 2.153 1008 E HA -0.198 4.156 4.350 0.006 0.000 0.194 1008 E C 1.824 178.441 176.600 0.030 0.000 0.988 1008 E CA 1.101 57.506 56.400 0.008 0.000 0.811 1008 E CB -0.024 29.669 29.700 -0.012 0.000 0.746 1008 E HN 0.781 nan 8.360 nan 0.000 0.466 1009 E N 0.795 121.009 120.200 0.023 0.000 2.072 1009 E HA -0.160 4.193 4.350 0.006 0.000 0.191 1009 E C 1.745 178.374 176.600 0.048 0.000 0.985 1009 E CA 1.383 57.800 56.400 0.029 0.000 0.801 1009 E CB 0.075 29.786 29.700 0.018 0.000 0.750 1009 E HN 0.325 nan 8.360 nan 0.000 0.452 1010 E N -0.249 119.980 120.200 0.048 0.000 2.047 1010 E HA -0.163 4.190 4.350 0.006 0.000 0.191 1010 E C 2.061 178.730 176.600 0.115 0.000 0.987 1010 E CA 0.885 57.323 56.400 0.064 0.000 0.799 1010 E CB -0.218 29.504 29.700 0.036 0.000 0.752 1010 E HN 0.297 nan 8.360 nan 0.000 0.449 1011 A N 1.257 124.149 122.820 0.119 0.000 1.917 1011 A HA -0.220 4.103 4.320 0.006 0.000 0.219 1011 A C 2.161 179.930 177.584 0.308 0.000 1.182 1011 A CA 1.337 53.506 52.037 0.219 0.000 0.633 1011 A CB -0.580 18.528 19.000 0.180 0.000 0.819 1011 A HN 0.209 nan 8.150 nan 0.000 0.448 1012 L N -0.451 120.894 121.223 0.203 0.000 2.109 1012 L HA -0.061 4.283 4.340 0.006 0.000 0.207 1012 L C 2.281 179.237 176.870 0.143 0.000 1.086 1012 L CA 2.563 57.505 54.840 0.168 0.000 0.760 1012 L CB -0.591 41.514 42.059 0.078 0.000 0.910 1012 L HN 0.434 nan 8.230 nan 0.000 0.437 1013 K N -1.109 119.360 120.400 0.116 0.000 2.026 1013 K HA -0.262 4.061 4.320 0.006 0.000 0.208 1013 K C 2.276 178.933 176.600 0.094 0.000 1.048 1013 K CA 2.007 58.343 56.287 0.081 0.000 0.929 1013 K CB -0.627 31.915 32.500 0.069 0.000 0.713 1013 K HN 0.500 nan 8.250 nan 0.000 0.439 1014 H N -0.807 118.295 119.070 0.054 0.000 2.319 1014 H HA -0.140 4.419 4.556 0.005 0.000 0.299 1014 H C 1.733 177.064 175.328 0.005 0.000 1.092 1014 H CA 2.439 58.514 56.048 0.045 0.000 1.302 1014 H CB -0.579 29.235 29.762 0.086 0.000 1.373 1014 H HN 0.288 nan 8.280 nan 0.000 0.497 1015 F N 1.055 120.928 119.950 -0.128 0.000 2.126 1015 F HA -0.163 4.367 4.527 0.005 0.000 0.299 1015 F C 2.496 178.071 175.800 -0.376 0.000 1.096 1015 F CA 1.676 59.442 58.000 -0.390 0.000 1.255 1015 F CB -0.241 38.433 39.000 -0.543 0.000 0.997 1015 F HN 0.042 nan 8.300 nan 0.000 0.479 1016 R N -0.401 120.009 120.500 -0.150 0.000 2.096 1016 R HA -0.137 4.206 4.340 0.006 0.000 0.235 1016 R C 2.158 178.339 176.300 -0.199 0.000 1.127 1016 R CA 1.529 57.514 56.100 -0.193 0.000 0.968 1016 R CB -0.702 29.549 30.300 -0.083 0.000 0.861 1016 R HN 0.250 nan 8.270 nan 0.000 0.440 1017 V N 1.501 121.298 119.914 -0.194 0.000 2.295 1017 V HA -0.260 3.863 4.120 0.006 0.000 0.246 1017 V C 2.202 178.153 176.094 -0.239 0.000 1.049 1017 V CA 1.654 63.852 62.300 -0.170 0.000 1.024 1017 V CB -0.365 31.373 31.823 -0.142 0.000 0.648 1017 V HN 0.264 nan 8.190 nan 0.000 0.447 1018 K N -0.653 119.506 120.400 -0.402 0.000 2.103 1018 K HA -0.212 4.111 4.320 0.006 0.000 0.207 1018 K C 2.100 178.432 176.600 -0.447 0.000 1.048 1018 K CA 1.893 57.920 56.287 -0.434 0.000 0.930 1018 K CB -0.565 31.571 32.500 -0.606 0.000 0.716 1018 K HN 0.530 nan 8.250 nan 0.000 0.444 1019 F N 2.656 122.110 119.950 -0.826 0.000 2.128 1019 F HA -0.138 4.392 4.527 0.005 0.000 0.295 1019 F C 1.891 177.535 175.800 -0.261 0.000 1.100 1019 F CA 1.214 58.753 58.000 -0.768 0.000 1.260 1019 F CB -0.114 38.288 39.000 -0.998 0.000 1.009 1019 F HN 0.013 nan 8.300 nan 0.000 0.476 1020 N N 0.820 119.568 118.700 0.081 0.000 2.166 1020 N HA -0.178 4.566 4.740 0.006 0.000 0.186 1020 N C 1.677 177.182 175.510 -0.008 0.000 1.019 1020 N CA 1.604 54.709 53.050 0.091 0.000 0.856 1020 N CB -0.472 38.058 38.487 0.072 0.000 0.993 1020 N HN 0.504 nan 8.380 nan 0.000 0.426 1021 E N 0.473 120.635 120.200 -0.062 0.000 2.110 1021 E HA -0.065 4.288 4.350 0.006 0.000 0.193 1021 E C 1.855 178.426 176.600 -0.049 0.000 0.988 1021 E CA 0.954 57.322 56.400 -0.054 0.000 0.804 1021 E CB -0.056 29.603 29.700 -0.068 0.000 0.745 1021 E HN 0.359 nan 8.360 nan 0.000 0.458 1022 A N 1.090 123.862 122.820 -0.079 0.000 1.930 1022 A HA -0.154 4.170 4.320 0.006 0.000 0.217 1022 A C 2.119 179.677 177.584 -0.042 0.000 1.175 1022 A CA 0.920 52.929 52.037 -0.047 0.000 0.627 1022 A CB -0.362 18.648 19.000 0.017 0.000 0.815 1022 A HN 0.215 nan 8.150 nan 0.000 0.443 1023 L N -0.311 120.873 121.223 -0.064 0.000 2.072 1023 L HA -0.022 4.321 4.340 0.006 0.000 0.205 1023 L C 2.351 179.236 176.870 0.025 0.000 1.079 1023 L CA 1.691 56.534 54.840 0.005 0.000 0.752 1023 L CB -0.674 41.422 42.059 0.061 0.000 0.906 1023 L HN 0.329 nan 8.230 nan 0.000 0.436 1024 R N -0.312 120.197 120.500 0.015 0.000 2.094 1024 R HA -0.242 4.101 4.340 0.006 0.000 0.239 1024 R C 2.220 178.530 176.300 0.016 0.000 1.137 1024 R CA 1.823 57.933 56.100 0.017 0.000 0.943 1024 R CB -0.449 29.854 30.300 0.004 0.000 0.850 1024 R HN 0.360 nan 8.270 nan 0.000 0.433 1025 E N 0.337 120.534 120.200 -0.004 0.000 2.265 1025 E HA -0.143 4.211 4.350 0.006 0.000 0.196 1025 E C 1.683 178.271 176.600 -0.019 0.000 0.996 1025 E CA 1.040 57.423 56.400 -0.028 0.000 0.832 1025 E CB -0.112 29.567 29.700 -0.034 0.000 0.756 1025 E HN 0.128 nan 8.360 nan 0.000 0.491 1026 S N -1.310 114.415 115.700 0.042 0.000 2.493 1026 S HA -0.075 4.398 4.470 0.006 0.000 0.243 1026 S C -0.273 174.462 174.600 0.226 0.000 0.991 1026 S CA 0.641 58.915 58.200 0.123 0.000 0.957 1026 S CB -0.050 63.249 63.200 0.165 0.000 0.756 1026 S HN 0.427 nan 8.310 nan 0.000 0.521 1027 W N 0.000 121.255 121.300 -0.075 0.000 2.388 1027 W HA 0.000 4.663 4.660 0.005 0.000 0.303 1027 W CA 0.000 57.250 57.345 -0.159 0.000 1.226 1027 W CB 0.000 29.276 29.460 -0.307 0.000 1.126 1027 W HN 0.000 nan 8.180 nan 0.000 0.535