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 2wxo_1_A DATA FIRST_RESID 109 DATA SEQUENCE VKKLINSQIS LLIGKGLHEF DSLRDPEVND FRTKMRQFCE EAAAHRQQLG DATA SEQUENCE WVEWLQYSFP LQLEPXXXXX XXXXXXXXNR ALLVNVKFEG SEESFTFQVS DATA SEQUENCE TKDMPLALMA CALRKKATVF RQXXXXQPEE YALQVNGRHE YLYGNYPLCH DATA SEQUENCE FQYICSCLHS GLTPHLTMVH SSSILAMRDE QSNXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXLWS LEQPFSIELI EGRKVNAXXX MKLVVQAGLF HGNEMLCKTV DATA SEQUENCE SSSEVNVCSE PVWKQRLEFD ISVCDLPRMA RLCFALYAVV XXXXXXXXXX DATA SEQUENCE XXXXXXDCPI AWANLMLFDY KDQLKTGERC LYMWPSVXXX XXXLLNPAGT DATA SEQUENCE VRGNPNTESA AALVIYLPEV AXXPVYFPAL EKILELXXXX XXXXXXXXXX DATA SEQUENCE XXLREILERX XXXELYEHEK DLVWKMRHEV QEHFPEALAR LLLVTKWNKH DATA SEQUENCE EDVAQMLYLL CSWPELPVLS ALELLDFSFP DCYVGSFAIK SLRKLTDDEL DATA SEQUENCE FQYLLQLVQV LKYESYLDCE LTKFLLGRAL ANRKIGHFLF WHLRSEMHVP DATA SEQUENCE SVALRFGLIM EAYCRGSTHH MKVLMKQGEA LSKLKALNDF VKVSSQKTTK DATA SEQUENCE PQTKEMMHMC MRQETYMEAL SHLQSPLDPS TLLEEVCVEQ CTFMDSKMKP DATA SEQUENCE LWIMYSSEEA GSAGNVGIIF KNGDDLRQDM LTLQMIQLMD VLWKQEGLDL DATA SEQUENCE RMTPYGCLPT GDRTGLIEVV LHSDTIANIQ LNKSNMAATA AFNKDALLNW DATA SEQUENCE LKSKNPGEAL DRAIEEFTLS CAGYCVATYV LGIGDRHSDN IMIRESGQLF DATA SEQUENCE HIDFGHFLGN FXXXXXXXXX RVPFILTYDF VHVIQQGKTN NSEKFERFRG DATA SEQUENCE YCERAYTILR RHGLLFLHLF ALMRAAGLPE LSCSKDIQYL KDSLALGKTE DATA SEQUENCE EEALKHFRVK FNEALRESW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 109 V HA 0.000 nan 4.120 nan 0.000 0.244 109 V C 0.000 176.102 176.094 0.013 0.000 1.182 109 V CA 0.000 62.306 62.300 0.010 0.000 1.235 109 V CB 0.000 31.828 31.823 0.008 0.000 1.184 110 K N 2.163 122.572 120.400 0.015 0.000 2.063 110 K HA -0.209 4.292 4.320 0.302 0.000 0.208 110 K C 1.768 178.382 176.600 0.024 0.000 1.048 110 K CA 2.655 58.954 56.287 0.020 0.000 0.928 110 K CB -0.260 32.252 32.500 0.021 0.000 0.713 110 K HN 0.371 nan 8.250 nan 0.000 0.442 111 K N 0.164 120.577 120.400 0.022 0.000 2.057 111 K HA -0.101 4.400 4.320 0.302 0.000 0.207 111 K C 2.001 178.614 176.600 0.022 0.000 1.049 111 K CA 1.428 57.729 56.287 0.023 0.000 0.931 111 K CB -0.527 31.983 32.500 0.018 0.000 0.714 111 K HN 0.227 nan 8.250 nan 0.000 0.440 112 L N 0.787 122.020 121.223 0.017 0.000 1.994 112 L HA -0.083 4.438 4.340 0.302 0.000 0.208 112 L C 2.035 178.915 176.870 0.017 0.000 1.071 112 L CA 1.679 56.528 54.840 0.015 0.000 0.745 112 L CB -0.364 41.702 42.059 0.012 0.000 0.892 112 L HN 0.302 nan 8.230 nan 0.000 0.431 113 I N -0.186 120.394 120.570 0.018 0.000 2.163 113 I HA -0.348 4.003 4.170 0.302 0.000 0.243 113 I C 2.183 178.317 176.117 0.028 0.000 1.085 113 I CA 1.430 62.740 61.300 0.018 0.000 1.347 113 I CB -0.608 37.402 38.000 0.017 0.000 1.044 113 I HN 0.398 nan 8.210 nan 0.000 0.408 114 N N 0.704 119.426 118.700 0.037 0.000 2.094 114 N HA -0.185 4.736 4.740 0.302 0.000 0.191 114 N C 2.074 177.612 175.510 0.047 0.000 1.023 114 N CA 1.990 55.070 53.050 0.050 0.000 0.857 114 N CB -0.469 38.051 38.487 0.055 0.000 1.013 114 N HN 0.450 nan 8.380 nan 0.000 0.426 115 S N 0.325 116.047 115.700 0.037 0.000 2.383 115 S HA -0.118 4.533 4.470 0.302 0.000 0.227 115 S C 1.848 176.466 174.600 0.030 0.000 1.026 115 S CA 0.830 59.051 58.200 0.034 0.000 0.981 115 S CB -0.421 62.795 63.200 0.026 0.000 0.818 115 S HN 0.324 nan 8.310 nan 0.000 0.472 116 Q N 0.798 120.612 119.800 0.023 0.000 2.084 116 Q HA 0.039 4.560 4.340 0.302 0.000 0.202 116 Q C 2.267 178.281 176.000 0.023 0.000 0.978 116 Q CA 1.716 57.529 55.803 0.017 0.000 0.844 116 Q CB -0.486 28.255 28.738 0.004 0.000 0.898 116 Q HN 0.623 nan 8.270 nan 0.000 0.426 117 I N 0.336 120.927 120.570 0.034 0.000 2.226 117 I HA -0.281 4.070 4.170 0.302 0.000 0.245 117 I C 2.167 178.322 176.117 0.063 0.000 1.100 117 I CA 0.937 62.271 61.300 0.057 0.000 1.374 117 I CB -0.224 37.823 38.000 0.078 0.000 1.057 117 I HN 0.113 nan 8.210 nan 0.000 0.413 118 S N 0.858 116.585 115.700 0.044 0.000 2.368 118 S HA -0.163 4.488 4.470 0.302 0.000 0.225 118 S C 1.923 176.540 174.600 0.028 0.000 1.030 118 S CA 1.150 59.361 58.200 0.019 0.000 0.999 118 S CB -0.391 62.818 63.200 0.015 0.000 0.844 118 S HN 0.305 nan 8.310 nan 0.000 0.459 119 L N 1.307 122.552 121.223 0.036 0.000 2.027 119 L HA 0.008 4.530 4.340 0.302 0.000 0.206 119 L C 2.118 179.024 176.870 0.060 0.000 1.074 119 L CA 1.292 56.157 54.840 0.041 0.000 0.745 119 L CB -0.541 41.539 42.059 0.034 0.000 0.898 119 L HN 0.237 nan 8.230 nan 0.000 0.433 120 L N 0.098 121.359 121.223 0.064 0.000 2.017 120 L HA -0.174 4.347 4.340 0.302 0.000 0.208 120 L C 2.231 179.197 176.870 0.159 0.000 1.073 120 L CA 2.309 57.208 54.840 0.099 0.000 0.745 120 L CB -0.635 41.454 42.059 0.049 0.000 0.894 120 L HN 0.492 nan 8.230 nan 0.000 0.432 121 I N -3.709 116.940 120.570 0.130 0.000 3.578 121 I HA 0.302 4.653 4.170 0.302 0.000 0.295 121 I C 1.371 177.519 176.117 0.051 0.000 1.280 121 I CA 0.618 61.979 61.300 0.103 0.000 1.347 121 I CB -0.782 37.300 38.000 0.136 0.000 1.051 121 I HN 0.381 nan 8.210 nan 0.000 0.460 122 G N 2.085 110.916 108.800 0.051 0.000 2.198 122 G HA2 -0.322 3.819 3.960 0.302 0.000 0.257 122 G HA3 -0.322 3.819 3.960 0.302 0.000 0.257 122 G C 0.005 174.904 174.900 -0.001 0.000 1.042 122 G CA 0.553 45.675 45.100 0.037 0.000 0.791 122 G HN 0.668 nan 8.290 nan 0.000 0.502 123 K N -0.446 119.928 120.400 -0.044 0.000 2.571 123 K HA 0.531 5.032 4.320 0.302 0.000 0.252 123 K C 0.485 176.937 176.600 -0.246 0.000 0.956 123 K CA -0.254 55.940 56.287 -0.154 0.000 0.822 123 K CB 0.960 33.353 32.500 -0.179 0.000 1.286 123 K HN 0.612 nan 8.250 nan 0.000 0.439 124 G N 3.699 112.316 108.800 -0.304 0.000 2.365 124 G HA2 0.151 4.292 3.960 0.302 0.000 0.249 124 G HA3 0.151 4.292 3.960 0.302 0.000 0.249 124 G C 0.849 175.403 174.900 -0.578 0.000 1.288 124 G CA -0.437 44.476 45.100 -0.312 0.000 0.887 124 G HN 0.672 nan 8.290 nan 0.000 0.524 125 L N 1.685 122.723 121.223 -0.308 0.000 2.362 125 L HA -0.096 4.425 4.340 0.302 0.000 0.219 125 L C 2.544 179.290 176.870 -0.207 0.000 1.134 125 L CA 1.289 55.954 54.840 -0.291 0.000 0.807 125 L CB -0.499 41.578 42.059 0.030 0.000 0.927 125 L HN 0.934 nan 8.230 nan 0.000 0.447 126 H N -1.214 117.780 119.070 -0.126 0.000 2.456 126 H HA -0.115 4.622 4.556 0.301 0.000 0.296 126 H C 1.772 177.052 175.328 -0.079 0.000 1.079 126 H CA 1.028 57.039 56.048 -0.062 0.000 1.322 126 H CB -0.361 29.374 29.762 -0.046 0.000 1.388 126 H HN 0.348 nan 8.280 nan 0.000 0.538 127 E N 0.176 119.987 120.200 -0.647 0.000 2.204 127 E HA -0.113 4.418 4.350 0.302 0.000 0.195 127 E C 1.109 177.622 176.600 -0.144 0.000 0.990 127 E CA 0.797 56.946 56.400 -0.419 0.000 0.821 127 E CB -0.116 29.253 29.700 -0.553 0.000 0.750 127 E HN 0.462 nan 8.360 nan 0.000 0.477 128 F N 1.752 121.657 119.950 -0.076 0.000 2.186 128 F HA -0.131 4.577 4.527 0.302 0.000 0.299 128 F C 1.974 177.775 175.800 0.002 0.000 1.090 128 F CA 0.768 58.751 58.000 -0.027 0.000 1.307 128 F CB -0.588 38.410 39.000 -0.004 0.000 1.019 128 F HN -0.031 nan 8.300 nan 0.000 0.489 129 D N -0.538 119.977 120.400 0.192 0.000 2.123 129 D HA -0.107 4.714 4.640 0.302 0.000 0.200 129 D C 2.229 178.589 176.300 0.101 0.000 0.976 129 D CA 1.366 55.448 54.000 0.137 0.000 0.831 129 D CB -0.367 40.507 40.800 0.123 0.000 0.974 129 D HN 0.171 nan 8.370 nan 0.000 0.469 130 S N 0.773 116.524 115.700 0.085 0.000 2.442 130 S HA -0.047 4.604 4.470 0.302 0.000 0.236 130 S C 2.116 176.748 174.600 0.052 0.000 1.007 130 S CA 0.283 58.521 58.200 0.063 0.000 0.965 130 S CB -0.136 63.097 63.200 0.055 0.000 0.773 130 S HN 0.264 nan 8.310 nan 0.000 0.504 131 L N 0.956 122.218 121.223 0.064 0.000 2.376 131 L HA 0.058 4.579 4.340 0.302 0.000 0.219 131 L C 0.477 177.380 176.870 0.054 0.000 1.133 131 L CA 0.174 55.047 54.840 0.055 0.000 0.816 131 L CB -0.409 41.691 42.059 0.067 0.000 0.933 131 L HN 0.147 nan 8.230 nan 0.000 0.449 132 R N 1.046 121.583 120.500 0.062 0.000 3.184 132 R HA -0.213 4.308 4.340 0.302 0.000 0.242 132 R C -0.323 176.013 176.300 0.061 0.000 0.907 132 R CA 0.599 56.736 56.100 0.061 0.000 0.618 132 R CB -2.436 27.897 30.300 0.055 0.000 1.016 132 R HN 0.348 nan 8.270 nan 0.000 0.469 133 D N -0.243 120.192 120.400 0.057 0.000 2.440 133 D HA 0.316 5.137 4.640 0.302 0.000 0.239 133 D C -1.592 174.731 176.300 0.038 0.000 1.084 133 D CA -2.530 51.497 54.000 0.046 0.000 0.843 133 D CB 1.563 42.379 40.800 0.026 0.000 1.097 133 D HN -0.122 nan 8.370 nan 0.000 0.531 134 P HA -0.175 nan 4.420 nan 0.000 0.216 134 P C 1.125 178.433 177.300 0.014 0.000 1.154 134 P CA 1.116 64.281 63.100 0.107 0.000 0.865 134 P CB 0.441 32.271 31.700 0.217 0.000 0.789 135 E N -0.407 119.667 120.200 -0.210 0.000 2.031 135 E HA -0.145 4.386 4.350 0.302 0.000 0.193 135 E C 1.902 178.356 176.600 -0.244 0.000 0.994 135 E CA 1.194 57.218 56.400 -0.626 0.000 0.800 135 E CB -0.441 28.731 29.700 -0.880 0.000 0.752 135 E HN -0.105 nan 8.360 nan 0.000 0.447 136 V N 2.221 122.043 119.914 -0.153 0.000 2.250 136 V HA -0.339 3.962 4.120 0.302 0.000 0.250 136 V C 2.092 178.180 176.094 -0.010 0.000 1.060 136 V CA 2.190 64.425 62.300 -0.109 0.000 1.030 136 V CB -0.761 31.004 31.823 -0.096 0.000 0.643 136 V HN 0.349 nan 8.190 nan 0.000 0.445 137 N N 0.079 118.790 118.700 0.017 0.000 2.166 137 N HA -0.153 4.768 4.740 0.302 0.000 0.186 137 N C 1.536 177.092 175.510 0.076 0.000 1.019 137 N CA 1.596 54.681 53.050 0.059 0.000 0.856 137 N CB -0.456 38.073 38.487 0.070 0.000 0.993 137 N HN 0.528 nan 8.380 nan 0.000 0.426 138 D N -0.150 120.298 120.400 0.080 0.000 2.137 138 D HA -0.062 4.759 4.640 0.302 0.000 0.202 138 D C 1.733 178.090 176.300 0.095 0.000 0.970 138 D CA 0.276 54.339 54.000 0.104 0.000 0.837 138 D CB -0.374 40.532 40.800 0.176 0.000 0.981 138 D HN 0.193 nan 8.370 nan 0.000 0.475 139 F N 2.240 122.158 119.950 -0.053 0.000 2.095 139 F HA -0.181 4.527 4.527 0.302 0.000 0.298 139 F C 2.399 178.173 175.800 -0.045 0.000 1.104 139 F CA 1.514 59.479 58.000 -0.058 0.000 1.232 139 F CB 0.110 39.047 39.000 -0.104 0.000 0.987 139 F HN -0.215 nan 8.300 nan 0.000 0.475 140 R N -0.289 120.343 120.500 0.220 0.000 2.083 140 R HA -0.156 4.365 4.340 0.302 0.000 0.237 140 R C 2.296 178.610 176.300 0.024 0.000 1.137 140 R CA 2.237 58.408 56.100 0.118 0.000 0.951 140 R CB -1.138 29.221 30.300 0.098 0.000 0.851 140 R HN 0.477 nan 8.270 nan 0.000 0.434 141 T N -0.691 113.881 114.554 0.030 0.000 2.812 141 T HA -0.090 4.441 4.350 0.302 0.000 0.264 141 T C 1.887 176.583 174.700 -0.007 0.000 1.042 141 T CA 1.031 63.144 62.100 0.022 0.000 1.140 141 T CB -0.067 68.825 68.868 0.039 0.000 0.870 141 T HN 0.043 nan 8.240 nan 0.000 0.445 142 K N 0.571 120.948 120.400 -0.038 0.000 1.985 142 K HA 0.055 4.556 4.320 0.302 0.000 0.210 142 K C 2.420 178.967 176.600 -0.089 0.000 1.047 142 K CA 1.401 57.651 56.287 -0.061 0.000 0.932 142 K CB -0.356 32.087 32.500 -0.095 0.000 0.716 142 K HN 0.160 nan 8.250 nan 0.000 0.439 143 M N 0.409 119.866 119.600 -0.239 0.000 2.213 143 M HA -0.096 4.565 4.480 0.302 0.000 0.263 143 M C 2.140 178.417 176.300 -0.039 0.000 1.062 143 M CA 1.412 56.568 55.300 -0.239 0.000 1.105 143 M CB -0.885 31.335 32.600 -0.634 0.000 1.385 143 M HN 0.213 nan 8.290 nan 0.000 0.417 144 R N 0.229 120.711 120.500 -0.031 0.000 2.073 144 R HA -0.198 4.323 4.340 0.302 0.000 0.234 144 R C 2.211 178.523 176.300 0.021 0.000 1.134 144 R CA 1.784 57.891 56.100 0.013 0.000 0.952 144 R CB -0.198 30.115 30.300 0.022 0.000 0.850 144 R HN 0.453 nan 8.270 nan 0.000 0.433 145 Q N -0.648 119.169 119.800 0.028 0.000 2.084 145 Q HA -0.203 4.318 4.340 0.302 0.000 0.202 145 Q C 1.884 177.913 176.000 0.048 0.000 0.978 145 Q CA 1.819 57.641 55.803 0.031 0.000 0.844 145 Q CB -0.168 28.592 28.738 0.036 0.000 0.898 145 Q HN 0.360 nan 8.270 nan 0.000 0.426 146 F N 0.104 120.015 119.950 -0.065 0.000 2.102 146 F HA -0.271 4.437 4.527 0.301 0.000 0.298 146 F C 2.135 177.903 175.800 -0.054 0.000 1.105 146 F CA 1.428 59.391 58.000 -0.062 0.000 1.239 146 F CB -0.544 38.409 39.000 -0.078 0.000 0.991 146 F HN 0.167 nan 8.300 nan 0.000 0.474 147 C N 0.577 119.866 119.300 -0.019 0.000 2.429 147 C HA -0.153 4.488 4.460 0.302 0.000 0.277 147 C C 2.671 177.566 174.990 -0.157 0.000 1.262 147 C CA 1.309 60.263 59.018 -0.107 0.000 1.733 147 C CB -1.195 26.551 27.740 0.011 0.000 2.010 147 C HN 0.532 nan 8.230 nan 0.000 0.483 148 E N 0.630 120.771 120.200 -0.099 0.000 2.085 148 E HA -0.227 4.304 4.350 0.302 0.000 0.194 148 E C 2.040 178.569 176.600 -0.118 0.000 0.994 148 E CA 1.342 57.687 56.400 -0.091 0.000 0.801 148 E CB -0.175 29.496 29.700 -0.050 0.000 0.743 148 E HN 0.676 nan 8.360 nan 0.000 0.453 149 E N 0.526 120.634 120.200 -0.153 0.000 2.038 149 E HA -0.231 4.301 4.350 0.302 0.000 0.195 149 E C 2.124 178.607 176.600 -0.195 0.000 1.000 149 E CA 1.046 57.347 56.400 -0.166 0.000 0.803 149 E CB -0.197 29.385 29.700 -0.197 0.000 0.750 149 E HN 0.250 nan 8.360 nan 0.000 0.448 150 A N 1.475 124.104 122.820 -0.318 0.000 1.917 150 A HA -0.216 4.285 4.320 0.302 0.000 0.219 150 A C 2.398 179.896 177.584 -0.143 0.000 1.182 150 A CA 1.962 53.836 52.037 -0.270 0.000 0.633 150 A CB -0.768 18.015 19.000 -0.361 0.000 0.819 150 A HN 0.316 nan 8.150 nan 0.000 0.448 151 A N -0.406 122.324 122.820 -0.149 0.000 1.930 151 A HA 0.201 4.702 4.320 0.302 0.000 0.217 151 A C 2.484 180.014 177.584 -0.091 0.000 1.175 151 A CA 1.958 53.919 52.037 -0.126 0.000 0.627 151 A CB -0.916 18.015 19.000 -0.115 0.000 0.815 151 A HN 1.058 nan 8.150 nan 0.000 0.443 152 A N -0.853 121.926 122.820 -0.069 0.000 1.898 152 A HA -0.158 4.343 4.320 0.302 0.000 0.216 152 A C 1.997 179.563 177.584 -0.030 0.000 1.181 152 A CA 2.059 54.066 52.037 -0.050 0.000 0.620 152 A CB -0.914 18.061 19.000 -0.041 0.000 0.819 152 A HN 0.740 nan 8.150 nan 0.000 0.442 153 H N -0.089 118.912 119.070 -0.117 0.000 2.319 153 H HA -0.171 4.566 4.556 0.302 0.000 0.297 153 H C 2.194 177.458 175.328 -0.105 0.000 1.097 153 H CA 2.301 58.285 56.048 -0.107 0.000 1.285 153 H CB -0.170 29.517 29.762 -0.126 0.000 1.368 153 H HN 0.463 nan 8.280 nan 0.000 0.495 154 R N -0.305 120.121 120.500 -0.123 0.000 2.120 154 R HA -0.112 4.409 4.340 0.302 0.000 0.234 154 R C 1.809 178.037 176.300 -0.119 0.000 1.123 154 R CA 1.394 57.380 56.100 -0.191 0.000 0.975 154 R CB 0.069 30.206 30.300 -0.272 0.000 0.866 154 R HN 0.330 nan 8.270 nan 0.000 0.446 155 Q N 0.375 120.106 119.800 -0.116 0.000 2.488 155 Q HA -0.132 4.389 4.340 0.302 0.000 0.211 155 Q C 0.738 176.656 176.000 -0.137 0.000 0.967 155 Q CA 1.198 56.927 55.803 -0.123 0.000 0.926 155 Q CB 0.423 29.095 28.738 -0.110 0.000 0.992 155 Q HN 0.715 nan 8.270 nan 0.000 0.506 156 Q N -1.477 118.236 119.800 -0.144 0.000 2.139 156 Q HA 0.283 4.804 4.340 0.302 0.000 0.219 156 Q C -0.041 175.868 176.000 -0.151 0.000 0.805 156 Q CA -0.206 55.515 55.803 -0.137 0.000 1.024 156 Q CB 0.174 28.840 28.738 -0.120 0.000 1.163 156 Q HN 0.095 nan 8.270 nan 0.000 0.485 157 L N 1.895 123.025 121.223 -0.155 0.000 2.483 157 L HA 0.232 4.753 4.340 0.302 0.000 0.275 157 L C 1.068 177.908 176.870 -0.049 0.000 1.220 157 L CA 0.165 54.932 54.840 -0.121 0.000 0.833 157 L CB 0.319 42.343 42.059 -0.059 0.000 1.102 157 L HN 0.310 nan 8.230 nan 0.000 0.490 158 G N 1.256 110.017 108.800 -0.065 0.000 2.664 158 G HA2 -0.089 4.052 3.960 0.302 0.000 0.242 158 G HA3 -0.089 4.052 3.960 0.302 0.000 0.242 158 G C 0.761 175.653 174.900 -0.013 0.000 1.225 158 G CA -0.181 44.884 45.100 -0.059 0.000 0.849 158 G HN 1.023 nan 8.290 nan 0.000 0.581 159 W N 0.769 122.039 121.300 -0.051 0.000 2.363 159 W HA -0.123 4.718 4.660 0.301 0.000 0.296 159 W C 1.322 177.823 176.519 -0.030 0.000 1.212 159 W CA 1.252 58.574 57.345 -0.038 0.000 1.260 159 W CB -1.219 28.174 29.460 -0.112 0.000 1.131 159 W HN 0.209 nan 8.180 nan 0.000 0.530 160 V N 2.022 121.367 119.914 -0.948 0.000 2.358 160 V HA -0.286 4.015 4.120 0.302 0.000 0.246 160 V C 2.474 178.345 176.094 -0.372 0.000 1.047 160 V CA 2.462 64.257 62.300 -0.842 0.000 1.035 160 V CB -0.978 30.242 31.823 -1.005 0.000 0.658 160 V HN 0.120 nan 8.190 nan 0.000 0.452 161 E N -0.593 119.464 120.200 -0.239 0.000 2.110 161 E HA -0.242 4.289 4.350 0.302 0.000 0.193 161 E C 1.990 178.580 176.600 -0.018 0.000 0.988 161 E CA 1.500 57.840 56.400 -0.100 0.000 0.804 161 E CB -0.229 29.422 29.700 -0.082 0.000 0.745 161 E HN 0.800 nan 8.360 nan 0.000 0.458 162 W N 1.657 122.883 121.300 -0.124 0.000 2.358 162 W HA -0.178 4.662 4.660 0.301 0.000 0.303 162 W C 1.525 178.004 176.519 -0.067 0.000 1.208 162 W CA 1.053 58.360 57.345 -0.063 0.000 1.274 162 W CB -0.313 29.112 29.460 -0.059 0.000 1.138 162 W HN 0.077 nan 8.180 nan 0.000 0.515 163 L N 0.888 122.055 121.223 -0.093 0.000 1.989 163 L HA -0.319 4.202 4.340 0.302 0.000 0.211 163 L C 2.834 179.577 176.870 -0.211 0.000 1.071 163 L CA 2.023 56.733 54.840 -0.216 0.000 0.749 163 L CB -1.152 40.681 42.059 -0.377 0.000 0.890 163 L HN 0.027 nan 8.230 nan 0.000 0.431 164 Q N -1.189 118.542 119.800 -0.115 0.000 2.133 164 Q HA -0.305 4.216 4.340 0.302 0.000 0.208 164 Q C 2.045 177.973 176.000 -0.120 0.000 0.991 164 Q CA 2.454 58.262 55.803 0.009 0.000 0.867 164 Q CB -0.380 28.380 28.738 0.037 0.000 0.911 164 Q HN 0.535 nan 8.270 nan 0.000 0.417 165 Y N -0.301 119.784 120.300 -0.358 0.000 2.200 165 Y HA -0.170 4.561 4.550 0.302 0.000 0.290 165 Y C 2.419 177.949 175.900 -0.618 0.000 1.137 165 Y CA 1.709 59.536 58.100 -0.455 0.000 1.163 165 Y CB -0.319 37.811 38.460 -0.549 0.000 0.988 165 Y HN 0.004 nan 8.280 nan 0.000 0.518 166 S N -1.159 113.781 115.700 -1.267 0.000 2.468 166 S HA 0.155 4.806 4.470 0.302 0.000 0.226 166 S C -0.154 173.611 174.600 -1.392 0.000 1.051 166 S CA -0.061 57.122 58.200 -1.695 0.000 0.943 166 S CB -0.274 61.706 63.200 -2.034 0.000 0.810 166 S HN 0.242 nan 8.310 nan 0.000 0.509 167 F N 2.769 122.502 119.950 -0.361 0.000 2.550 167 F HA 0.526 5.233 4.527 0.301 0.000 0.348 167 F C -2.765 173.029 175.800 -0.011 0.000 1.219 167 F CA -2.952 54.977 58.000 -0.119 0.000 1.203 167 F CB 0.540 39.567 39.000 0.045 0.000 1.436 167 F HN -0.026 nan 8.300 nan 0.000 0.541 168 P HA 0.046 nan 4.420 nan 0.000 0.269 168 P C 0.202 177.537 177.300 0.060 0.000 1.209 168 P CA -0.090 63.025 63.100 0.025 0.000 0.776 168 P CB 1.003 32.656 31.700 -0.080 0.000 0.876 169 L N 2.373 123.606 121.223 0.017 0.000 2.461 169 L HA 0.041 4.562 4.340 0.302 0.000 0.272 169 L C 1.053 177.896 176.870 -0.046 0.000 1.197 169 L CA 0.470 55.276 54.840 -0.057 0.000 0.836 169 L CB -0.155 41.785 42.059 -0.199 0.000 1.105 169 L HN 0.316 nan 8.230 nan 0.000 0.477 170 Q N 4.699 124.504 119.800 0.008 0.000 2.508 170 Q HA 0.483 5.004 4.340 0.302 0.000 0.247 170 Q C -1.157 174.841 176.000 -0.003 0.000 1.047 170 Q CA -0.234 55.575 55.803 0.010 0.000 0.783 170 Q CB 1.408 30.180 28.738 0.057 0.000 1.172 170 Q HN 0.494 nan 8.270 nan 0.000 0.515 171 L N 0.786 121.941 121.223 -0.112 0.000 2.334 171 L HA 0.444 4.965 4.340 0.302 0.000 0.272 171 L C 0.538 177.330 176.870 -0.130 0.000 1.020 171 L CA -1.149 53.568 54.840 -0.206 0.000 0.812 171 L CB 1.303 43.130 42.059 -0.386 0.000 1.264 171 L HN 0.354 nan 8.230 nan 0.000 0.439 172 E N 1.536 121.656 120.200 -0.134 0.000 2.398 172 E HA 0.212 4.743 4.350 0.302 0.000 0.263 172 E C -1.993 174.529 176.600 -0.130 0.000 1.046 172 E CA -1.201 55.138 56.400 -0.102 0.000 0.908 172 E CB 0.426 30.069 29.700 -0.096 0.000 0.963 172 E HN 0.344 nan 8.360 nan 0.000 0.431 188 R N 1.363 121.871 120.500 0.014 0.000 2.460 188 R HA 0.753 5.274 4.340 0.302 0.000 0.303 188 R C -0.838 175.468 176.300 0.009 0.000 0.968 188 R CA -0.316 55.790 56.100 0.010 0.000 0.889 188 R CB 1.221 31.523 30.300 0.004 0.000 1.123 188 R HN 0.503 nan 8.270 nan 0.000 0.455 189 A N 4.482 127.308 122.820 0.009 0.000 2.322 189 A HA 0.566 5.067 4.320 0.302 0.000 0.269 189 A C -0.396 177.193 177.584 0.008 0.000 1.094 189 A CA -0.519 51.526 52.037 0.012 0.000 0.807 189 A CB 0.466 19.475 19.000 0.015 0.000 1.047 189 A HN 0.701 nan 8.150 nan 0.000 0.487 190 L N -0.078 121.154 121.223 0.015 0.000 2.465 190 L HA 0.764 5.285 4.340 0.302 0.000 0.257 190 L C -1.425 175.461 176.870 0.026 0.000 0.988 190 L CA -0.883 53.964 54.840 0.011 0.000 0.827 190 L CB 1.487 43.545 42.059 -0.001 0.000 1.397 190 L HN 0.546 nan 8.230 nan 0.000 0.410 191 L N 2.692 123.928 121.223 0.021 0.000 2.334 191 L HA 0.762 5.283 4.340 0.302 0.000 0.277 191 L C -0.585 176.300 176.870 0.025 0.000 1.075 191 L CA -0.835 54.023 54.840 0.029 0.000 0.804 191 L CB 1.766 43.834 42.059 0.015 0.000 1.174 191 L HN 0.485 nan 8.230 nan 0.000 0.438 192 V N 2.487 122.426 119.914 0.040 0.000 2.925 192 V HA 0.360 4.661 4.120 0.302 0.000 0.311 192 V C -0.578 175.498 176.094 -0.029 0.000 1.104 192 V CA -0.822 61.493 62.300 0.026 0.000 0.954 192 V CB 2.420 34.293 31.823 0.082 0.000 1.022 192 V HN 0.782 nan 8.190 nan 0.000 0.427 193 N N 2.160 120.753 118.700 -0.178 0.000 2.362 193 N HA 0.713 5.634 4.740 0.302 0.000 0.298 193 N C -1.651 173.790 175.510 -0.114 0.000 1.048 193 N CA -0.136 52.748 53.050 -0.275 0.000 0.858 193 N CB 2.120 40.173 38.487 -0.723 0.000 1.218 193 N HN 0.422 nan 8.380 nan 0.000 0.488 194 V N 2.689 122.597 119.914 -0.010 0.000 2.841 194 V HA 0.528 4.829 4.120 0.302 0.000 0.310 194 V C -0.637 175.494 176.094 0.061 0.000 1.090 194 V CA -0.811 61.531 62.300 0.069 0.000 0.930 194 V CB 2.072 34.035 31.823 0.233 0.000 1.014 194 V HN 0.760 nan 8.190 nan 0.000 0.425 195 K N 2.196 122.583 120.400 -0.022 0.000 2.533 195 K HA 0.745 5.246 4.320 0.302 0.000 0.272 195 K C -1.662 174.902 176.600 -0.060 0.000 0.985 195 K CA -0.816 55.481 56.287 0.016 0.000 0.876 195 K CB 2.198 34.681 32.500 -0.029 0.000 1.452 195 K HN 0.311 nan 8.250 nan 0.000 0.439 196 F N 0.919 120.895 119.950 0.044 0.000 2.440 196 F HA 0.225 4.933 4.527 0.302 0.000 0.328 196 F C 1.991 177.817 175.800 0.043 0.000 1.070 196 F CA -0.507 57.534 58.000 0.068 0.000 1.011 196 F CB 1.683 40.729 39.000 0.077 0.000 1.226 196 F HN 0.870 nan 8.300 nan 0.000 0.491 197 E N 1.193 121.536 120.200 0.238 0.000 2.097 197 E HA -0.168 4.363 4.350 0.302 0.000 0.196 197 E C 2.015 178.675 176.600 0.099 0.000 1.000 197 E CA 1.591 58.073 56.400 0.136 0.000 0.804 197 E CB -0.229 29.553 29.700 0.135 0.000 0.740 197 E HN 0.883 nan 8.360 nan 0.000 0.454 198 G N -0.482 108.382 108.800 0.107 0.000 2.880 198 G HA2 0.016 4.157 3.960 0.302 0.000 0.209 198 G HA3 0.016 4.157 3.960 0.302 0.000 0.209 198 G C 0.372 175.283 174.900 0.018 0.000 1.157 198 G CA 0.153 45.284 45.100 0.052 0.000 0.779 198 G HN 0.154 nan 8.290 nan 0.000 0.539 199 S N -1.263 114.449 115.700 0.019 0.000 2.600 199 S HA 0.462 5.113 4.470 0.302 0.000 0.300 199 S C 0.540 175.118 174.600 -0.036 0.000 1.087 199 S CA -0.504 57.675 58.200 -0.034 0.000 0.965 199 S CB 2.076 65.218 63.200 -0.097 0.000 1.089 199 S HN 0.074 nan 8.310 nan 0.000 0.496 200 E N 1.150 121.311 120.200 -0.065 0.000 2.170 200 E HA 0.112 4.643 4.350 0.302 0.000 0.191 200 E C -0.137 176.388 176.600 -0.125 0.000 0.981 200 E CA 0.489 56.846 56.400 -0.072 0.000 0.830 200 E CB 0.084 29.748 29.700 -0.060 0.000 0.775 200 E HN 0.659 nan 8.360 nan 0.000 0.470 201 E N 0.686 120.782 120.200 -0.173 0.000 2.442 201 E HA 0.132 4.663 4.350 0.302 0.000 0.262 201 E C -0.392 175.935 176.600 -0.455 0.000 1.004 201 E CA 0.305 56.527 56.400 -0.296 0.000 0.928 201 E CB 0.652 30.171 29.700 -0.303 0.000 0.937 201 E HN 0.071 nan 8.360 nan 0.000 0.446 202 S N 1.635 116.942 115.700 -0.656 0.000 2.550 202 S HA 0.663 5.314 4.470 0.302 0.000 0.270 202 S C -1.223 172.856 174.600 -0.868 0.000 1.145 202 S CA -1.047 56.722 58.200 -0.718 0.000 0.852 202 S CB 0.762 63.777 63.200 -0.307 0.000 1.119 202 S HN 0.321 nan 8.310 nan 0.000 0.465 203 F N 0.328 120.160 119.950 -0.196 0.000 2.551 203 F HA 0.639 5.348 4.527 0.302 0.000 0.316 203 F C 0.311 175.770 175.800 -0.569 0.000 1.089 203 F CA -0.716 57.035 58.000 -0.415 0.000 0.915 203 F CB 2.346 40.998 39.000 -0.580 0.000 1.186 203 F HN 0.539 nan 8.300 nan 0.000 0.456 204 T N 3.169 117.503 114.554 -0.367 0.000 2.767 204 T HA 0.578 5.109 4.350 0.302 0.000 0.284 204 T C -0.951 173.515 174.700 -0.391 0.000 0.973 204 T CA -0.351 61.559 62.100 -0.317 0.000 0.996 204 T CB 0.288 69.055 68.868 -0.168 0.000 0.927 204 T HN 0.194 nan 8.240 nan 0.000 0.456 205 F N 1.614 121.574 119.950 0.016 0.000 2.492 205 F HA 0.444 5.152 4.527 0.302 0.000 0.327 205 F C 0.617 176.415 175.800 -0.002 0.000 1.079 205 F CA -1.126 56.879 58.000 0.009 0.000 0.967 205 F CB 1.635 40.636 39.000 0.001 0.000 1.169 205 F HN 0.333 nan 8.300 nan 0.000 0.472 206 Q N 2.915 122.845 119.800 0.216 0.000 2.278 206 Q HA 0.625 5.146 4.340 0.302 0.000 0.257 206 Q C -1.122 174.937 176.000 0.099 0.000 0.928 206 Q CA -0.520 55.354 55.803 0.118 0.000 0.932 206 Q CB 1.560 30.344 28.738 0.077 0.000 1.221 206 Q HN 0.687 nan 8.270 nan 0.000 0.434 207 V N -0.130 119.823 119.914 0.066 0.000 3.141 207 V HA 0.670 4.971 4.120 0.302 0.000 0.312 207 V C -0.547 175.561 176.094 0.024 0.000 1.157 207 V CA -1.053 61.266 62.300 0.032 0.000 1.041 207 V CB 1.786 33.619 31.823 0.017 0.000 1.071 207 V HN 0.647 nan 8.190 nan 0.000 0.441 208 S N 0.256 115.964 115.700 0.015 0.000 2.508 208 S HA 0.366 5.017 4.470 0.302 0.000 0.284 208 S C 1.395 176.007 174.600 0.021 0.000 1.192 208 S CA 0.243 58.452 58.200 0.015 0.000 1.070 208 S CB 1.233 64.439 63.200 0.010 0.000 1.004 208 S HN 1.435 nan 8.310 nan 0.000 0.493 209 T N 2.322 116.890 114.554 0.023 0.000 2.869 209 T HA -0.207 4.324 4.350 0.302 0.000 0.270 209 T C 1.389 176.111 174.700 0.038 0.000 1.082 209 T CA 1.650 63.772 62.100 0.036 0.000 1.123 209 T CB -0.497 68.390 68.868 0.031 0.000 0.856 209 T HN 0.820 nan 8.240 nan 0.000 0.499 210 K N 0.718 121.130 120.400 0.020 0.000 2.400 210 K HA 0.087 4.588 4.320 0.302 0.000 0.194 210 K C -0.080 176.517 176.600 -0.005 0.000 1.033 210 K CA 0.021 56.308 56.287 -0.000 0.000 1.021 210 K CB 0.089 32.589 32.500 -0.001 0.000 0.808 210 K HN 0.201 nan 8.250 nan 0.000 0.505 211 D N 2.044 122.451 120.400 0.012 0.000 2.399 211 D HA 0.044 4.865 4.640 0.302 0.000 0.241 211 D C 0.507 176.831 176.300 0.040 0.000 1.133 211 D CA 0.317 54.324 54.000 0.012 0.000 0.890 211 D CB 0.716 41.517 40.800 0.002 0.000 1.201 211 D HN 0.047 nan 8.370 nan 0.000 0.432 212 M N 2.362 121.983 119.600 0.036 0.000 2.228 212 M HA 0.118 4.779 4.480 0.302 0.000 0.326 212 M C -1.379 174.974 176.300 0.087 0.000 1.122 212 M CA -1.813 53.536 55.300 0.081 0.000 1.161 212 M CB -0.160 32.468 32.600 0.047 0.000 1.437 212 M HN 0.007 nan 8.290 nan 0.000 0.465 213 P HA -0.136 nan 4.420 nan 0.000 0.217 213 P C 1.665 178.992 177.300 0.045 0.000 1.148 213 P CA 0.996 64.136 63.100 0.067 0.000 0.828 213 P CB 0.007 31.760 31.700 0.089 0.000 0.783 214 L N -0.757 120.507 121.223 0.068 0.000 2.131 214 L HA -0.118 4.403 4.340 0.302 0.000 0.210 214 L C 2.194 179.064 176.870 0.000 0.000 1.092 214 L CA 1.861 56.733 54.840 0.053 0.000 0.759 214 L CB -1.212 40.886 42.059 0.066 0.000 0.903 214 L HN -0.114 nan 8.230 nan 0.000 0.435 215 A N -0.597 122.213 122.820 -0.017 0.000 1.873 215 A HA -0.188 4.313 4.320 0.302 0.000 0.215 215 A C 2.317 179.826 177.584 -0.125 0.000 1.186 215 A CA 1.786 53.788 52.037 -0.057 0.000 0.616 215 A CB -0.963 18.010 19.000 -0.045 0.000 0.823 215 A HN 0.505 nan 8.150 nan 0.000 0.442 216 L N -0.784 120.364 121.223 -0.124 0.000 2.042 216 L HA -0.222 4.299 4.340 0.302 0.000 0.210 216 L C 2.616 179.332 176.870 -0.256 0.000 1.076 216 L CA 1.919 56.633 54.840 -0.211 0.000 0.749 216 L CB -0.232 41.757 42.059 -0.117 0.000 0.893 216 L HN 0.440 nan 8.230 nan 0.000 0.432 217 M N -0.894 118.616 119.600 -0.149 0.000 2.213 217 M HA -0.172 4.489 4.480 0.302 0.000 0.263 217 M C 2.325 178.531 176.300 -0.155 0.000 1.062 217 M CA 1.512 56.721 55.300 -0.151 0.000 1.105 217 M CB -0.483 32.080 32.600 -0.062 0.000 1.385 217 M HN 0.454 nan 8.290 nan 0.000 0.417 218 A N -0.352 122.389 122.820 -0.133 0.000 1.930 218 A HA -0.155 4.346 4.320 0.302 0.000 0.217 218 A C 2.271 179.745 177.584 -0.183 0.000 1.175 218 A CA 1.463 53.432 52.037 -0.113 0.000 0.627 218 A CB -1.136 17.816 19.000 -0.080 0.000 0.815 218 A HN 0.582 nan 8.150 nan 0.000 0.443 219 C N -0.980 118.115 119.300 -0.342 0.000 2.429 219 C HA 0.053 4.694 4.460 0.302 0.000 0.277 219 C C 3.311 178.019 174.990 -0.470 0.000 1.262 219 C CA 0.730 59.414 59.018 -0.556 0.000 1.733 219 C CB -1.332 25.727 27.740 -1.134 0.000 2.010 219 C HN 0.704 nan 8.230 nan 0.000 0.483 220 A N 0.335 122.923 122.820 -0.387 0.000 1.908 220 A HA -0.136 4.365 4.320 0.302 0.000 0.218 220 A C 2.079 179.756 177.584 0.155 0.000 1.181 220 A CA 1.635 53.705 52.037 0.055 0.000 0.627 220 A CB -0.562 18.417 19.000 -0.034 0.000 0.818 220 A HN 0.623 nan 8.150 nan 0.000 0.445 221 L N -1.329 119.936 121.223 0.070 0.000 2.131 221 L HA -0.084 4.437 4.340 0.302 0.000 0.206 221 L C 2.799 179.653 176.870 -0.028 0.000 1.087 221 L CA 0.916 55.799 54.840 0.073 0.000 0.767 221 L CB -0.391 41.689 42.059 0.036 0.000 0.917 221 L HN 0.306 nan 8.230 nan 0.000 0.441 222 R N -0.102 120.366 120.500 -0.055 0.000 2.096 222 R HA -0.115 4.406 4.340 0.302 0.000 0.235 222 R C 2.247 178.493 176.300 -0.089 0.000 1.127 222 R CA 0.840 56.905 56.100 -0.057 0.000 0.968 222 R CB -0.203 30.065 30.300 -0.054 0.000 0.861 222 R HN 0.240 nan 8.270 nan 0.000 0.440 223 K N 1.097 121.402 120.400 -0.158 0.000 2.025 223 K HA -0.138 4.363 4.320 0.302 0.000 0.207 223 K C 1.981 178.317 176.600 -0.441 0.000 1.049 223 K CA 1.080 57.135 56.287 -0.387 0.000 0.933 223 K CB -0.175 31.869 32.500 -0.759 0.000 0.714 223 K HN 0.095 nan 8.250 nan 0.000 0.438 224 K N 0.717 120.899 120.400 -0.364 0.000 2.032 224 K HA -0.139 4.362 4.320 0.302 0.000 0.209 224 K C 2.048 178.632 176.600 -0.026 0.000 1.048 224 K CA 1.433 57.621 56.287 -0.165 0.000 0.927 224 K CB -0.106 32.162 32.500 -0.387 0.000 0.712 224 K HN 0.100 nan 8.250 nan 0.000 0.441 225 A N 0.569 123.366 122.820 -0.038 0.000 1.902 225 A HA -0.173 4.328 4.320 0.302 0.000 0.217 225 A C 2.173 179.775 177.584 0.030 0.000 1.181 225 A CA 2.337 54.380 52.037 0.010 0.000 0.623 225 A CB -1.077 17.918 19.000 -0.008 0.000 0.818 225 A HN 0.645 nan 8.150 nan 0.000 0.443 226 T N -2.232 112.328 114.554 0.010 0.000 2.732 226 T HA -0.077 4.454 4.350 0.302 0.000 0.261 226 T C 1.738 176.478 174.700 0.068 0.000 1.040 226 T CA 1.376 63.491 62.100 0.025 0.000 1.145 226 T CB -0.973 67.900 68.868 0.008 0.000 0.866 226 T HN 0.083 nan 8.240 nan 0.000 0.427 227 V N 0.595 120.568 119.914 0.098 0.000 2.287 227 V HA -0.065 4.236 4.120 0.302 0.000 0.248 227 V C 2.158 178.394 176.094 0.235 0.000 1.053 227 V CA 1.469 63.864 62.300 0.160 0.000 1.027 227 V CB -0.906 31.052 31.823 0.225 0.000 0.646 227 V HN 0.396 nan 8.190 nan 0.000 0.447 228 F N 0.740 120.692 119.950 0.004 0.000 2.692 228 F HA 0.340 5.048 4.527 0.302 0.000 0.303 228 F C 1.322 177.107 175.800 -0.025 0.000 1.114 228 F CA -0.593 57.397 58.000 -0.017 0.000 1.361 228 F CB -0.458 38.514 39.000 -0.047 0.000 1.063 228 F HN 0.089 nan 8.300 nan 0.000 0.550 229 R N 0.963 121.496 120.500 0.055 0.000 3.758 229 R HA -0.287 4.234 4.340 0.302 0.000 0.299 229 R C 0.459 176.723 176.300 -0.060 0.000 1.182 229 R CA 1.077 57.160 56.100 -0.027 0.000 0.809 229 R CB -2.253 28.009 30.300 -0.062 0.000 1.249 229 R HN 0.746 nan 8.270 nan 0.000 0.497 236 P HA -0.138 nan 4.420 nan 0.000 0.216 236 P C 0.175 177.653 177.300 0.296 0.000 1.150 236 P CA 1.114 64.339 63.100 0.209 0.000 0.837 236 P CB 0.469 32.234 31.700 0.108 0.000 0.786 237 E N -0.358 119.988 120.200 0.243 0.000 2.463 237 E HA -0.133 4.398 4.350 0.302 0.000 0.201 237 E C 1.488 178.292 176.600 0.340 0.000 1.045 237 E CA 0.648 57.206 56.400 0.262 0.000 0.872 237 E CB -0.685 29.130 29.700 0.190 0.000 0.797 237 E HN 0.375 nan 8.360 nan 0.000 0.538 238 E N -0.511 119.834 120.200 0.242 0.000 2.502 238 E HA 0.004 4.535 4.350 0.302 0.000 0.194 238 E C -0.334 175.960 176.600 -0.510 0.000 1.062 238 E CA 0.325 56.638 56.400 -0.145 0.000 0.867 238 E CB 0.204 29.808 29.700 -0.160 0.000 0.888 238 E HN 0.351 nan 8.360 nan 0.000 0.510 239 Y N -0.387 119.927 120.300 0.023 0.000 2.562 239 Y HA 0.557 5.288 4.550 0.301 0.000 0.343 239 Y C 0.092 176.128 175.900 0.226 0.000 1.025 239 Y CA -1.052 57.066 58.100 0.030 0.000 1.082 239 Y CB 1.786 40.296 38.460 0.084 0.000 1.264 239 Y HN -0.196 nan 8.280 nan 0.000 0.478 240 A N 1.892 124.943 122.820 0.386 0.000 2.380 240 A HA 0.794 5.295 4.320 0.302 0.000 0.315 240 A C -1.671 176.113 177.584 0.334 0.000 1.101 240 A CA -0.818 51.476 52.037 0.428 0.000 0.771 240 A CB 0.995 20.288 19.000 0.488 0.000 1.287 240 A HN 0.754 nan 8.150 nan 0.000 0.436 241 L N 1.956 123.327 121.223 0.247 0.000 2.255 241 L HA 0.321 4.842 4.340 0.302 0.000 0.289 241 L C 0.563 177.364 176.870 -0.115 0.000 1.046 241 L CA -0.114 54.754 54.840 0.046 0.000 0.816 241 L CB 1.170 43.213 42.059 -0.027 0.000 1.197 241 L HN 0.826 nan 8.230 nan 0.000 0.427 242 Q N 2.267 121.852 119.800 -0.358 0.000 2.327 242 Q HA 0.286 4.807 4.340 0.302 0.000 0.254 242 Q C -0.760 174.952 176.000 -0.481 0.000 0.952 242 Q CA -0.636 54.657 55.803 -0.850 0.000 0.884 242 Q CB 1.635 29.837 28.738 -0.894 0.000 1.224 242 Q HN 0.385 nan 8.270 nan 0.000 0.422 243 V N 4.463 124.067 119.914 -0.517 0.000 2.555 243 V HA 0.014 4.315 4.120 0.302 0.000 0.286 243 V C 0.069 175.958 176.094 -0.342 0.000 1.044 243 V CA -0.523 61.505 62.300 -0.453 0.000 1.026 243 V CB 0.759 32.175 31.823 -0.678 0.000 0.981 243 V HN 0.764 nan 8.190 nan 0.000 0.480 244 N N 3.681 122.253 118.700 -0.214 0.000 2.411 244 N HA 0.216 5.137 4.740 0.302 0.000 0.261 244 N C 1.250 176.679 175.510 -0.134 0.000 1.248 244 N CA 1.184 54.157 53.050 -0.129 0.000 0.885 244 N CB 0.621 39.089 38.487 -0.033 0.000 1.062 244 N HN 1.094 nan 8.380 nan 0.000 0.471 245 G N 1.486 110.220 108.800 -0.110 0.000 2.187 245 G HA2 -0.331 3.810 3.960 0.302 0.000 0.261 245 G HA3 -0.331 3.810 3.960 0.302 0.000 0.261 245 G C -0.022 174.805 174.900 -0.122 0.000 1.000 245 G CA 0.347 45.392 45.100 -0.092 0.000 0.718 245 G HN 0.627 nan 8.290 nan 0.000 0.519 246 R N -1.511 118.895 120.500 -0.156 0.000 2.854 246 R HA 0.474 4.995 4.340 0.302 0.000 0.271 246 R C -0.684 175.575 176.300 -0.069 0.000 0.994 246 R CA -1.120 54.893 56.100 -0.146 0.000 0.945 246 R CB 0.850 31.045 30.300 -0.176 0.000 1.194 246 R HN 0.155 nan 8.270 nan 0.000 0.476 247 H N 1.279 120.300 119.070 -0.082 0.000 2.983 247 H HA 0.182 4.920 4.556 0.302 0.000 0.222 247 H C -0.576 174.745 175.328 -0.011 0.000 1.828 247 H CA 0.215 56.240 56.048 -0.040 0.000 1.309 247 H CB -0.378 29.538 29.762 0.256 0.000 1.644 247 H HN 0.368 nan 8.280 nan 0.000 0.561 248 E N 0.795 120.945 120.200 -0.084 0.000 2.293 248 E HA 0.341 4.872 4.350 0.302 0.000 0.270 248 E C -1.286 175.193 176.600 -0.201 0.000 0.879 248 E CA -0.764 55.621 56.400 -0.024 0.000 0.756 248 E CB 1.671 31.309 29.700 -0.103 0.000 1.208 248 E HN 0.166 nan 8.360 nan 0.000 0.428 249 Y N 1.764 122.052 120.300 -0.019 0.000 2.545 249 Y HA 0.481 5.211 4.550 0.302 0.000 0.348 249 Y C -0.778 175.117 175.900 -0.009 0.000 1.002 249 Y CA -0.860 57.272 58.100 0.054 0.000 1.039 249 Y CB 1.559 40.180 38.460 0.268 0.000 1.271 249 Y HN 0.389 nan 8.280 nan 0.000 0.467 250 L N 3.949 125.217 121.223 0.074 0.000 2.343 250 L HA 0.514 5.035 4.340 0.302 0.000 0.278 250 L C -1.292 175.581 176.870 0.004 0.000 0.996 250 L CA -0.819 53.804 54.840 -0.361 0.000 0.831 250 L CB 0.465 42.144 42.059 -0.634 0.000 1.232 250 L HN 0.606 nan 8.230 nan 0.000 0.413 251 Y N 1.196 121.550 120.300 0.090 0.000 2.656 251 Y HA 0.900 5.631 4.550 0.301 0.000 0.334 251 Y C 0.102 176.304 175.900 0.503 0.000 1.179 251 Y CA -1.157 57.096 58.100 0.255 0.000 1.050 251 Y CB 1.199 39.791 38.460 0.221 0.000 1.308 251 Y HN 0.813 nan 8.280 nan 0.000 0.456 252 G N 1.245 110.358 108.800 0.523 0.000 2.555 252 G HA2 -0.083 4.058 3.960 0.302 0.000 0.686 252 G HA3 -0.083 4.058 3.960 0.302 0.000 0.686 252 G C -1.810 173.165 174.900 0.126 0.000 1.275 252 G CA -0.988 44.341 45.100 0.381 0.000 0.871 252 G HN 0.904 nan 8.290 nan 0.000 0.603 253 N N 0.920 119.422 118.700 -0.330 0.000 2.968 253 N HA 0.422 5.343 4.740 0.302 0.000 0.271 253 N C -1.069 174.015 175.510 -0.710 0.000 1.174 253 N CA 0.444 53.270 53.050 -0.374 0.000 1.096 253 N CB -0.104 38.189 38.487 -0.323 0.000 1.403 253 N HN 0.450 nan 8.380 nan 0.000 0.522 254 Y N 0.121 120.413 120.300 -0.014 0.000 2.433 254 Y HA 0.370 5.101 4.550 0.302 0.000 0.337 254 Y C -2.219 173.596 175.900 -0.142 0.000 1.026 254 Y CA -2.467 55.505 58.100 -0.213 0.000 1.037 254 Y CB 1.934 40.090 38.460 -0.507 0.000 1.245 254 Y HN 0.184 nan 8.280 nan 0.000 0.443 255 P HA 0.081 nan 4.420 nan 0.000 0.269 255 P C 0.800 178.153 177.300 0.088 0.000 1.209 255 P CA 0.057 63.091 63.100 -0.110 0.000 0.776 255 P CB 1.149 32.682 31.700 -0.279 0.000 0.876 256 L N 2.498 123.850 121.223 0.216 0.000 2.051 256 L HA -0.253 4.268 4.340 0.302 0.000 0.214 256 L C 2.509 179.583 176.870 0.341 0.000 1.076 256 L CA 2.218 57.275 54.840 0.362 0.000 0.758 256 L CB -1.205 40.962 42.059 0.180 0.000 0.890 256 L HN 0.506 nan 8.230 nan 0.000 0.433 257 C N -2.881 116.542 119.300 0.204 0.000 2.491 257 C HA -0.024 4.617 4.460 0.302 0.000 0.277 257 C C 2.231 177.358 174.990 0.228 0.000 1.455 257 C CA -0.303 58.826 59.018 0.184 0.000 1.758 257 C CB -1.778 26.037 27.740 0.125 0.000 1.745 257 C HN 0.463 nan 8.230 nan 0.000 0.558 258 H N -0.720 118.346 119.070 -0.006 0.000 2.470 258 H HA 0.108 4.845 4.556 0.302 0.000 0.289 258 H C 0.057 175.230 175.328 -0.258 0.000 1.033 258 H CA 0.458 56.413 56.048 -0.154 0.000 1.331 258 H CB -0.081 29.541 29.762 -0.233 0.000 1.414 258 H HN 0.456 nan 8.280 nan 0.000 0.545 259 F N 2.048 122.058 119.950 0.100 0.000 2.506 259 F HA -0.014 4.694 4.527 0.302 0.000 0.371 259 F C 1.610 177.444 175.800 0.058 0.000 1.078 259 F CA -0.017 58.004 58.000 0.034 0.000 1.195 259 F CB 0.754 39.787 39.000 0.055 0.000 1.099 259 F HN 0.042 nan 8.300 nan 0.000 0.548 260 Q N 2.134 122.049 119.800 0.193 0.000 2.156 260 Q HA -0.308 4.214 4.340 0.302 0.000 0.211 260 Q C 1.711 177.832 176.000 0.201 0.000 0.995 260 Q CA 2.201 58.098 55.803 0.156 0.000 0.877 260 Q CB -0.402 28.410 28.738 0.123 0.000 0.920 260 Q HN 0.848 nan 8.270 nan 0.000 0.416 261 Y N 0.815 121.190 120.300 0.125 0.000 2.200 261 Y HA -0.190 4.541 4.550 0.302 0.000 0.290 261 Y C 1.850 177.807 175.900 0.095 0.000 1.137 261 Y CA 1.037 59.192 58.100 0.090 0.000 1.163 261 Y CB 0.001 38.493 38.460 0.053 0.000 0.988 261 Y HN 0.030 nan 8.280 nan 0.000 0.518 262 I N -0.793 119.767 120.570 -0.017 0.000 2.252 262 I HA -0.286 4.065 4.170 0.302 0.000 0.245 262 I C 2.884 178.957 176.117 -0.073 0.000 1.102 262 I CA 1.198 62.433 61.300 -0.109 0.000 1.385 262 I CB -1.911 36.132 38.000 0.071 0.000 1.064 262 I HN 0.422 nan 8.210 nan 0.000 0.414 263 C N 0.510 119.829 119.300 0.033 0.000 2.413 263 C HA -0.206 4.435 4.460 0.302 0.000 0.276 263 C C 3.480 178.506 174.990 0.060 0.000 1.236 263 C CA 1.872 60.919 59.018 0.048 0.000 1.735 263 C CB -0.906 26.901 27.740 0.111 0.000 2.031 263 C HN 0.617 nan 8.230 nan 0.000 0.474 264 S N -0.907 114.829 115.700 0.060 0.000 2.370 264 S HA -0.201 4.450 4.470 0.302 0.000 0.226 264 S C 1.913 176.514 174.600 0.002 0.000 1.033 264 S CA 2.192 60.439 58.200 0.079 0.000 1.011 264 S CB -0.724 62.524 63.200 0.079 0.000 0.852 264 S HN 0.798 nan 8.310 nan 0.000 0.457 265 C N 1.064 120.273 119.300 -0.151 0.000 2.422 265 C HA 0.053 4.694 4.460 0.302 0.000 0.279 265 C C 2.506 177.440 174.990 -0.094 0.000 1.305 265 C CA 0.683 59.599 59.018 -0.170 0.000 1.757 265 C CB -1.632 25.913 27.740 -0.325 0.000 1.962 265 C HN 0.602 nan 8.230 nan 0.000 0.499 266 L N -0.540 120.613 121.223 -0.117 0.000 2.027 266 L HA -0.149 4.372 4.340 0.302 0.000 0.206 266 L C 2.793 179.569 176.870 -0.157 0.000 1.074 266 L CA 1.447 56.191 54.840 -0.160 0.000 0.745 266 L CB -0.930 40.982 42.059 -0.245 0.000 0.898 266 L HN 0.442 nan 8.230 nan 0.000 0.433 267 H N -0.638 118.433 119.070 0.002 0.000 2.357 267 H HA -0.093 4.644 4.556 0.302 0.000 0.301 267 H C 2.599 177.938 175.328 0.018 0.000 1.082 267 H CA 1.791 57.849 56.048 0.017 0.000 1.342 267 H CB -0.158 29.620 29.762 0.028 0.000 1.389 267 H HN 0.376 nan 8.280 nan 0.000 0.511 268 S N -0.521 115.253 115.700 0.124 0.000 2.481 268 S HA 0.052 4.703 4.470 0.302 0.000 0.231 268 S C 1.903 176.523 174.600 0.034 0.000 0.996 268 S CA 1.169 59.413 58.200 0.074 0.000 0.942 268 S CB 0.085 63.322 63.200 0.062 0.000 0.768 268 S HN 0.665 nan 8.310 nan 0.000 0.520 269 G N 0.122 108.931 108.800 0.016 0.000 2.234 269 G HA2 -0.199 3.942 3.960 0.302 0.000 0.235 269 G HA3 -0.199 3.942 3.960 0.302 0.000 0.235 269 G C -0.098 174.801 174.900 -0.002 0.000 0.997 269 G CA 0.116 45.217 45.100 0.002 0.000 0.623 269 G HN 0.490 nan 8.290 nan 0.000 0.514 270 L N 1.873 123.095 121.223 -0.002 0.000 2.482 270 L HA 0.488 5.009 4.340 0.302 0.000 0.273 270 L C 1.140 178.019 176.870 0.014 0.000 1.228 270 L CA 0.775 55.621 54.840 0.010 0.000 0.827 270 L CB 0.497 42.564 42.059 0.012 0.000 1.099 270 L HN 0.156 nan 8.230 nan 0.000 0.494 271 T N 3.540 118.141 114.554 0.079 0.000 2.771 271 T HA 0.344 4.875 4.350 0.302 0.000 0.291 271 T C -2.352 172.474 174.700 0.211 0.000 0.954 271 T CA -1.028 61.141 62.100 0.115 0.000 1.045 271 T CB 1.012 69.974 68.868 0.156 0.000 0.917 271 T HN 0.336 nan 8.240 nan 0.000 0.484 272 P HA 0.113 nan 4.420 nan 0.000 0.268 272 P C -0.462 177.007 177.300 0.281 0.000 1.204 272 P CA -0.077 63.123 63.100 0.166 0.000 0.768 272 P CB 0.318 32.037 31.700 0.031 0.000 0.842 273 H N 2.878 122.070 119.070 0.203 0.000 2.638 273 H HA 0.382 5.119 4.556 0.302 0.000 0.317 273 H C -0.271 175.088 175.328 0.052 0.000 1.006 273 H CA -0.568 55.538 56.048 0.096 0.000 1.222 273 H CB 0.957 30.755 29.762 0.060 0.000 1.419 273 H HN 0.248 nan 8.280 nan 0.000 0.489 274 L N 2.127 123.392 121.223 0.070 0.000 2.319 274 L HA 0.488 5.009 4.340 0.302 0.000 0.267 274 L C 0.045 176.878 176.870 -0.063 0.000 1.011 274 L CA -0.818 54.013 54.840 -0.016 0.000 0.818 274 L CB 2.323 44.371 42.059 -0.018 0.000 1.316 274 L HN 0.469 nan 8.230 nan 0.000 0.432 275 T N 1.628 116.114 114.554 -0.114 0.000 2.824 275 T HA 0.435 4.966 4.350 0.302 0.000 0.282 275 T C -0.130 174.489 174.700 -0.134 0.000 0.993 275 T CA -0.643 61.385 62.100 -0.121 0.000 0.967 275 T CB 1.561 70.377 68.868 -0.088 0.000 0.960 275 T HN 0.295 nan 8.240 nan 0.000 0.441 276 M N 3.690 123.141 119.600 -0.249 0.000 2.292 276 M HA 0.208 4.869 4.480 0.302 0.000 0.342 276 M C -0.606 175.771 176.300 0.128 0.000 1.538 276 M CA -0.029 55.132 55.300 -0.230 0.000 1.163 276 M CB -0.056 31.952 32.600 -0.986 0.000 1.823 276 M HN 0.342 nan 8.290 nan 0.000 0.462 277 V N 4.137 124.223 119.914 0.288 0.000 2.409 277 V HA 0.221 4.522 4.120 0.302 0.000 0.291 277 V C -0.049 176.131 176.094 0.144 0.000 1.020 277 V CA -0.859 61.595 62.300 0.258 0.000 0.848 277 V CB 1.400 33.371 31.823 0.246 0.000 0.990 277 V HN 0.764 nan 8.190 nan 0.000 0.430 278 H N 3.078 122.039 119.070 -0.182 0.000 2.607 278 H HA 0.188 4.925 4.556 0.302 0.000 0.367 278 H C 1.537 176.485 175.328 -0.634 0.000 1.181 278 H CA 0.648 56.260 56.048 -0.726 0.000 1.402 278 H CB 1.559 30.971 29.762 -0.584 0.000 1.474 278 H HN 0.723 nan 8.280 nan 0.000 0.596 279 S N 1.090 115.820 115.700 -1.617 0.000 2.399 279 S HA -0.222 4.429 4.470 0.302 0.000 0.231 279 S C 2.114 176.221 174.600 -0.822 0.000 1.022 279 S CA 1.041 58.279 58.200 -1.604 0.000 0.983 279 S CB -0.672 61.120 63.200 -2.347 0.000 0.803 279 S HN 0.672 nan 8.310 nan 0.000 0.480 280 S N 1.312 116.718 115.700 -0.490 0.000 2.474 280 S HA -0.014 4.637 4.470 0.302 0.000 0.235 280 S C 1.853 176.377 174.600 -0.128 0.000 0.997 280 S CA 0.963 59.060 58.200 -0.172 0.000 0.949 280 S CB -0.551 62.669 63.200 0.032 0.000 0.766 280 S HN 0.568 nan 8.310 nan 0.000 0.517 281 S N 1.292 116.919 115.700 -0.122 0.000 2.404 281 S HA 0.184 4.835 4.470 0.302 0.000 0.223 281 S C 1.733 176.285 174.600 -0.079 0.000 1.040 281 S CA 0.405 58.567 58.200 -0.064 0.000 0.957 281 S CB -0.525 62.674 63.200 -0.002 0.000 0.826 281 S HN 0.558 nan 8.310 nan 0.000 0.491 282 I N 1.500 121.999 120.570 -0.117 0.000 2.286 282 I HA -0.132 4.219 4.170 0.302 0.000 0.248 282 I C 2.151 178.166 176.117 -0.171 0.000 1.115 282 I CA 1.038 62.307 61.300 -0.052 0.000 1.392 282 I CB -0.235 37.789 38.000 0.040 0.000 1.065 282 I HN 0.308 nan 8.210 nan 0.000 0.418 283 L N 0.169 121.266 121.223 -0.209 0.000 2.156 283 L HA -0.131 4.390 4.340 0.302 0.000 0.208 283 L C 2.775 179.476 176.870 -0.282 0.000 1.095 283 L CA 0.960 55.646 54.840 -0.257 0.000 0.770 283 L CB -0.561 41.385 42.059 -0.188 0.000 0.914 283 L HN 0.229 nan 8.230 nan 0.000 0.439 284 A N -0.253 122.446 122.820 -0.201 0.000 1.933 284 A HA -0.224 4.277 4.320 0.302 0.000 0.218 284 A C 2.297 179.762 177.584 -0.198 0.000 1.175 284 A CA 1.558 53.496 52.037 -0.165 0.000 0.628 284 A CB -0.374 18.567 19.000 -0.098 0.000 0.814 284 A HN 0.329 nan 8.150 nan 0.000 0.444 285 M N -1.465 118.009 119.600 -0.210 0.000 2.099 285 M HA -0.124 4.537 4.480 0.302 0.000 0.262 285 M C 2.427 178.423 176.300 -0.507 0.000 1.067 285 M CA 1.739 56.913 55.300 -0.211 0.000 1.124 285 M CB -0.328 32.260 32.600 -0.019 0.000 1.353 285 M HN 0.492 nan 8.290 nan 0.000 0.410 286 R N 0.676 120.592 120.500 -0.973 0.000 2.091 286 R HA -0.197 4.324 4.340 0.302 0.000 0.238 286 R C 1.368 177.199 176.300 -0.783 0.000 1.136 286 R CA 2.124 57.276 56.100 -1.581 0.000 0.959 286 R CB -0.239 29.144 30.300 -1.527 0.000 0.856 286 R HN 0.321 nan 8.270 nan 0.000 0.437 287 D N 0.478 120.587 120.400 -0.485 0.000 2.117 287 D HA -0.186 4.635 4.640 0.302 0.000 0.198 287 D C 1.693 177.860 176.300 -0.223 0.000 0.982 287 D CA 1.697 55.519 54.000 -0.295 0.000 0.828 287 D CB -0.322 40.351 40.800 -0.211 0.000 0.967 287 D HN 0.603 nan 8.370 nan 0.000 0.464 288 E N 0.527 120.602 120.200 -0.208 0.000 2.409 288 E HA -0.162 4.369 4.350 0.302 0.000 0.198 288 E C 0.979 177.512 176.600 -0.112 0.000 1.024 288 E CA 0.673 57.001 56.400 -0.121 0.000 0.861 288 E CB -0.279 29.375 29.700 -0.077 0.000 0.788 288 E HN 0.329 nan 8.360 nan 0.000 0.521 289 Q N 1.461 121.130 119.800 -0.219 0.000 2.188 289 Q HA 0.112 4.634 4.340 0.302 0.000 0.212 289 Q C -0.172 175.801 176.000 -0.045 0.000 0.846 289 Q CA -0.152 55.525 55.803 -0.210 0.000 0.989 289 Q CB 1.079 29.604 28.738 -0.355 0.000 1.114 289 Q HN 0.243 nan 8.270 nan 0.000 0.488 290 S N -0.359 115.303 115.700 -0.062 0.000 2.592 290 S HA 0.209 4.860 4.470 0.302 0.000 0.271 290 S C 0.201 174.798 174.600 -0.004 0.000 1.326 290 S CA -0.693 57.480 58.200 -0.046 0.000 1.024 290 S CB 1.248 64.404 63.200 -0.073 0.000 0.921 290 S HN 0.212 nan 8.310 nan 0.000 0.527 317 W N 0.748 121.957 121.300 -0.152 0.000 2.424 317 W HA -0.015 4.826 4.660 0.302 0.000 0.264 317 W C 1.244 177.685 176.519 -0.130 0.000 1.229 317 W CA 1.453 58.678 57.345 -0.200 0.000 1.208 317 W CB -1.317 28.076 29.460 -0.113 0.000 1.127 317 W HN 0.570 nan 8.180 nan 0.000 0.588 318 S N 1.687 117.149 115.700 -0.397 0.000 2.368 318 S HA -0.091 4.560 4.470 0.302 0.000 0.225 318 S C 1.191 175.557 174.600 -0.389 0.000 1.030 318 S CA 1.034 58.922 58.200 -0.521 0.000 0.999 318 S CB -0.546 62.545 63.200 -0.181 0.000 0.844 318 S HN 0.197 nan 8.310 nan 0.000 0.459 319 L N 2.172 123.259 121.223 -0.227 0.000 2.312 319 L HA 0.302 4.823 4.340 0.302 0.000 0.287 319 L C 1.050 177.844 176.870 -0.128 0.000 1.091 319 L CA -0.088 54.671 54.840 -0.135 0.000 0.846 319 L CB 0.328 42.356 42.059 -0.051 0.000 1.219 319 L HN 0.113 nan 8.230 nan 0.000 0.439 320 E N 1.508 121.628 120.200 -0.133 0.000 2.442 320 E HA -0.038 4.493 4.350 0.302 0.000 0.195 320 E C 0.521 177.100 176.600 -0.035 0.000 1.030 320 E CA -0.098 56.243 56.400 -0.097 0.000 0.869 320 E CB 0.416 30.045 29.700 -0.119 0.000 0.857 320 E HN 0.644 nan 8.360 nan 0.000 0.505 321 Q N 1.780 121.568 119.800 -0.020 0.000 2.361 321 Q HA 0.112 4.633 4.340 0.302 0.000 0.276 321 Q C -2.559 173.472 176.000 0.052 0.000 1.022 321 Q CA -1.783 54.026 55.803 0.010 0.000 0.898 321 Q CB -0.132 28.610 28.738 0.007 0.000 1.246 321 Q HN -0.190 nan 8.270 nan 0.000 0.410 322 P HA 0.052 nan 4.420 nan 0.000 0.268 322 P C -0.715 176.691 177.300 0.178 0.000 1.204 322 P CA -0.278 62.893 63.100 0.117 0.000 0.768 322 P CB 0.152 31.905 31.700 0.088 0.000 0.842 323 F N 3.197 123.208 119.950 0.103 0.000 2.518 323 F HA 0.317 5.025 4.527 0.302 0.000 0.359 323 F C 0.363 176.347 175.800 0.307 0.000 1.118 323 F CA 1.081 59.162 58.000 0.135 0.000 1.287 323 F CB 0.346 39.373 39.000 0.044 0.000 1.132 323 F HN 0.418 nan 8.300 nan 0.000 0.587 324 S N 5.786 121.153 115.700 -0.554 0.000 2.565 324 S HA 0.755 5.406 4.470 0.302 0.000 0.269 324 S C -0.965 173.350 174.600 -0.474 0.000 1.153 324 S CA -0.842 57.187 58.200 -0.285 0.000 0.835 324 S CB 1.446 64.561 63.200 -0.140 0.000 1.122 324 S HN 0.940 nan 8.310 nan 0.000 0.462 325 I N -1.826 118.657 120.570 -0.146 0.000 2.828 325 I HA 0.790 5.141 4.170 0.302 0.000 0.302 325 I C -0.760 175.370 176.117 0.022 0.000 1.101 325 I CA -0.844 60.433 61.300 -0.038 0.000 1.031 325 I CB 2.076 40.172 38.000 0.160 0.000 1.231 325 I HN 0.809 nan 8.210 nan 0.000 0.427 326 E N 3.662 123.911 120.200 0.082 0.000 2.174 326 E HA 0.405 4.936 4.350 0.302 0.000 0.282 326 E C -1.399 175.239 176.600 0.064 0.000 0.992 326 E CA -0.892 55.549 56.400 0.068 0.000 0.803 326 E CB 1.591 31.337 29.700 0.076 0.000 1.090 326 E HN 0.685 nan 8.360 nan 0.000 0.396 327 L N 6.717 127.951 121.223 0.018 0.000 2.268 327 L HA 0.302 4.823 4.340 0.302 0.000 0.289 327 L C -0.175 176.742 176.870 0.079 0.000 1.064 327 L CA 0.281 55.105 54.840 -0.026 0.000 0.824 327 L CB 0.320 42.278 42.059 -0.169 0.000 1.202 327 L HN 0.754 nan 8.230 nan 0.000 0.433 328 I N 3.040 123.659 120.570 0.082 0.000 2.558 328 I HA 0.081 4.432 4.170 0.302 0.000 0.229 328 I C 0.750 176.989 176.117 0.204 0.000 1.060 328 I CA 0.713 62.078 61.300 0.109 0.000 1.396 328 I CB -0.031 38.001 38.000 0.054 0.000 1.207 328 I HN 0.723 nan 8.210 nan 0.000 0.423 329 E N -0.321 119.982 120.200 0.171 0.000 2.446 329 E HA 0.688 5.219 4.350 0.302 0.000 0.269 329 E C -0.795 175.919 176.600 0.190 0.000 0.977 329 E CA -1.097 55.404 56.400 0.168 0.000 0.854 329 E CB 1.943 31.655 29.700 0.020 0.000 1.545 329 E HN 0.226 nan 8.360 nan 0.000 0.448 330 G N -0.344 108.521 108.800 0.108 0.000 2.788 330 G HA2 0.682 4.823 3.960 0.302 0.000 0.293 330 G HA3 0.682 4.823 3.960 0.302 0.000 0.293 330 G C -1.556 173.345 174.900 0.000 0.000 1.392 330 G CA -1.182 43.972 45.100 0.091 0.000 0.810 330 G HN 0.582 nan 8.290 nan 0.000 0.508 331 R N 0.121 120.619 120.500 -0.002 0.000 2.585 331 R HA 0.603 5.124 4.340 0.302 0.000 0.288 331 R C -1.454 174.844 176.300 -0.004 0.000 1.194 331 R CA -1.077 55.015 56.100 -0.014 0.000 1.006 331 R CB 1.695 31.984 30.300 -0.017 0.000 1.229 331 R HN 0.676 nan 8.270 nan 0.000 0.412 332 K N -0.105 120.294 120.400 -0.001 0.000 2.680 332 K HA 0.515 5.016 4.320 0.302 0.000 0.295 332 K C -1.471 175.135 176.600 0.010 0.000 1.052 332 K CA -0.913 55.380 56.287 0.010 0.000 0.863 332 K CB 0.930 33.447 32.500 0.030 0.000 1.549 332 K HN 0.174 nan 8.250 nan 0.000 0.391 333 V N 0.899 120.824 119.914 0.019 0.000 2.483 333 V HA 0.689 4.990 4.120 0.302 0.000 0.297 333 V C -1.084 175.029 176.094 0.033 0.000 1.027 333 V CA -0.359 61.953 62.300 0.020 0.000 0.855 333 V CB 0.945 32.778 31.823 0.017 0.000 0.995 333 V HN 0.839 nan 8.190 nan 0.000 0.424 334 N N 2.062 120.780 118.700 0.030 0.000 3.227 334 N HA 0.732 5.653 4.740 0.302 0.000 0.241 334 N C -0.459 175.070 175.510 0.032 0.000 1.480 334 N CA 0.036 53.110 53.050 0.040 0.000 0.886 334 N CB 1.645 40.167 38.487 0.058 0.000 1.406 334 N HN 0.792 nan 8.380 nan 0.000 0.514 340 K N 1.849 122.287 120.400 0.064 0.000 2.267 340 K HA 0.831 5.332 4.320 0.302 0.000 0.246 340 K C -1.420 175.244 176.600 0.106 0.000 0.954 340 K CA -0.383 55.946 56.287 0.071 0.000 0.824 340 K CB 1.973 34.516 32.500 0.072 0.000 1.167 340 K HN 0.504 nan 8.250 nan 0.000 0.431 341 L N 1.577 122.871 121.223 0.118 0.000 2.322 341 L HA 0.643 5.164 4.340 0.302 0.000 0.279 341 L C -0.787 176.202 176.870 0.198 0.000 1.036 341 L CA -1.058 53.880 54.840 0.164 0.000 0.807 341 L CB 1.544 43.729 42.059 0.210 0.000 1.226 341 L HN 0.212 nan 8.230 nan 0.000 0.433 342 V N 2.936 122.862 119.914 0.021 0.000 2.789 342 V HA 0.428 4.729 4.120 0.302 0.000 0.311 342 V C -0.436 175.383 176.094 -0.458 0.000 1.073 342 V CA -0.731 61.491 62.300 -0.130 0.000 0.921 342 V CB 2.522 34.288 31.823 -0.095 0.000 1.009 342 V HN 0.366 nan 8.190 nan 0.000 0.426 343 V N 3.805 123.451 119.914 -0.447 0.000 2.394 343 V HA 0.428 4.729 4.120 0.302 0.000 0.282 343 V C -0.056 175.889 176.094 -0.248 0.000 1.031 343 V CA -0.346 61.691 62.300 -0.439 0.000 0.881 343 V CB 1.441 32.913 31.823 -0.585 0.000 0.982 343 V HN 0.920 nan 8.190 nan 0.000 0.451 344 Q N 2.952 122.681 119.800 -0.119 0.000 2.282 344 Q HA 0.775 5.296 4.340 0.302 0.000 0.260 344 Q C -0.792 175.299 176.000 0.152 0.000 0.964 344 Q CA -0.598 55.255 55.803 0.084 0.000 0.880 344 Q CB 1.993 30.898 28.738 0.278 0.000 1.286 344 Q HN 0.887 nan 8.270 nan 0.000 0.445 345 A N 2.213 125.106 122.820 0.121 0.000 2.398 345 A HA 0.820 5.321 4.320 0.302 0.000 0.301 345 A C -0.818 176.872 177.584 0.178 0.000 1.041 345 A CA -0.208 51.875 52.037 0.077 0.000 0.711 345 A CB 1.763 20.780 19.000 0.028 0.000 1.240 345 A HN 0.733 nan 8.150 nan 0.000 0.420 346 G N 0.597 109.500 108.800 0.172 0.000 2.563 346 G HA2 0.602 4.743 3.960 0.302 0.000 0.302 346 G HA3 0.602 4.743 3.960 0.302 0.000 0.302 346 G C -1.196 173.703 174.900 -0.003 0.000 1.301 346 G CA -0.661 44.512 45.100 0.121 0.000 0.965 346 G HN 0.682 nan 8.290 nan 0.000 0.480 347 L N 0.688 121.765 121.223 -0.243 0.000 2.295 347 L HA 0.592 5.113 4.340 0.302 0.000 0.285 347 L C -0.943 175.693 176.870 -0.390 0.000 1.035 347 L CA -0.550 54.127 54.840 -0.271 0.000 0.806 347 L CB 1.319 43.150 42.059 -0.380 0.000 1.214 347 L HN 0.366 nan 8.230 nan 0.000 0.426 348 F N 0.419 120.319 119.950 -0.083 0.000 2.563 348 F HA 0.355 5.063 4.527 0.302 0.000 0.316 348 F C -0.156 175.606 175.800 -0.063 0.000 1.076 348 F CA -0.733 57.230 58.000 -0.062 0.000 0.921 348 F CB 1.727 40.692 39.000 -0.057 0.000 1.209 348 F HN 0.385 nan 8.300 nan 0.000 0.462 349 H N 1.338 120.393 119.070 -0.025 0.000 2.792 349 H HA 0.534 5.271 4.556 0.302 0.000 0.298 349 H C 0.378 175.479 175.328 -0.379 0.000 1.042 349 H CA 0.376 56.299 56.048 -0.209 0.000 1.300 349 H CB 0.420 30.047 29.762 -0.224 0.000 1.431 349 H HN 0.828 nan 8.280 nan 0.000 0.496 350 G N 4.247 112.633 108.800 -0.689 0.000 2.536 350 G HA2 -0.434 3.707 3.960 0.302 0.000 0.280 350 G HA3 -0.434 3.707 3.960 0.302 0.000 0.280 350 G C 0.909 175.452 174.900 -0.594 0.000 1.152 350 G CA 0.445 44.849 45.100 -1.162 0.000 0.970 350 G HN 0.585 nan 8.290 nan 0.000 0.549 351 N N 1.534 119.987 118.700 -0.411 0.000 2.290 351 N HA 0.057 4.978 4.740 0.302 0.000 0.179 351 N C 0.802 176.405 175.510 0.155 0.000 1.016 351 N CA 1.109 54.117 53.050 -0.070 0.000 0.871 351 N CB -0.160 38.263 38.487 -0.106 0.000 0.987 351 N HN 0.563 nan 8.380 nan 0.000 0.431 352 E N 1.020 121.250 120.200 0.049 0.000 2.384 352 E HA 0.109 4.640 4.350 0.302 0.000 0.266 352 E C 0.132 176.751 176.600 0.033 0.000 1.012 352 E CA 0.152 56.589 56.400 0.061 0.000 0.901 352 E CB 0.503 30.207 29.700 0.007 0.000 0.967 352 E HN 0.136 nan 8.360 nan 0.000 0.435 353 M N 3.931 123.449 119.600 -0.138 0.000 2.219 353 M HA 0.061 4.722 4.480 0.302 0.000 0.353 353 M C 0.746 176.909 176.300 -0.229 0.000 1.304 353 M CA 0.068 55.095 55.300 -0.455 0.000 1.115 353 M CB 0.518 32.867 32.600 -0.419 0.000 1.664 353 M HN 0.459 nan 8.290 nan 0.000 0.459 354 L N 2.765 123.846 121.223 -0.236 0.000 2.554 354 L HA 0.064 4.585 4.340 0.302 0.000 0.226 354 L C 0.371 177.189 176.870 -0.087 0.000 1.137 354 L CA -0.134 54.639 54.840 -0.112 0.000 0.863 354 L CB -0.455 41.550 42.059 -0.089 0.000 0.985 354 L HN 0.956 nan 8.230 nan 0.000 0.451 355 C N -3.914 115.318 119.300 -0.113 0.000 3.037 355 C HA 0.218 4.859 4.460 0.302 0.000 0.335 355 C C -0.609 174.347 174.990 -0.056 0.000 1.333 355 C CA -1.989 57.002 59.018 -0.045 0.000 1.211 355 C CB 0.827 28.584 27.740 0.028 0.000 1.377 355 C HN 0.274 nan 8.230 nan 0.000 0.451 356 K N 0.715 121.108 120.400 -0.012 0.000 2.336 356 K HA 0.459 4.960 4.320 0.302 0.000 0.262 356 K C 0.086 176.696 176.600 0.016 0.000 0.992 356 K CA 0.759 57.041 56.287 -0.010 0.000 0.927 356 K CB -0.007 32.493 32.500 0.001 0.000 0.956 356 K HN 1.005 nan 8.250 nan 0.000 0.495 357 T N -1.256 113.307 114.554 0.015 0.000 2.727 357 T HA 0.318 4.849 4.350 0.302 0.000 0.298 357 T C 0.481 175.198 174.700 0.028 0.000 0.942 357 T CA -1.020 61.110 62.100 0.050 0.000 0.997 357 T CB 0.326 69.241 68.868 0.079 0.000 0.917 357 T HN 0.497 nan 8.240 nan 0.000 0.487 358 V N 1.841 121.740 119.914 -0.025 0.000 3.185 358 V HA 0.722 5.023 4.120 0.302 0.000 0.305 358 V C 0.196 176.254 176.094 -0.060 0.000 1.090 358 V CA -0.596 61.641 62.300 -0.105 0.000 1.107 358 V CB 0.950 32.594 31.823 -0.298 0.000 1.061 358 V HN 0.942 nan 8.190 nan 0.000 0.480 359 S N 0.758 116.419 115.700 -0.065 0.000 2.667 359 S HA 0.640 5.291 4.470 0.302 0.000 0.292 359 S C -0.111 174.437 174.600 -0.088 0.000 1.126 359 S CA -0.540 57.634 58.200 -0.043 0.000 0.881 359 S CB 2.007 65.218 63.200 0.018 0.000 1.132 359 S HN 1.010 nan 8.310 nan 0.000 0.492 360 S N 1.557 117.185 115.700 -0.121 0.000 2.661 360 S HA 0.504 5.155 4.470 0.302 0.000 0.265 360 S C 0.147 174.750 174.600 0.006 0.000 1.225 360 S CA -0.701 57.422 58.200 -0.128 0.000 0.986 360 S CB 0.589 63.611 63.200 -0.297 0.000 1.008 360 S HN 0.808 nan 8.310 nan 0.000 0.565 361 S N 0.217 115.973 115.700 0.093 0.000 2.525 361 S HA 0.382 5.033 4.470 0.302 0.000 0.290 361 S C -0.617 174.092 174.600 0.182 0.000 1.152 361 S CA -0.927 57.344 58.200 0.118 0.000 1.072 361 S CB 0.542 63.803 63.200 0.102 0.000 1.027 361 S HN 0.606 nan 8.310 nan 0.000 0.500 362 E N 1.297 121.576 120.200 0.131 0.000 2.606 362 E HA 0.189 4.720 4.350 0.302 0.000 0.248 362 E C -0.881 175.785 176.600 0.110 0.000 1.005 362 E CA 0.123 56.601 56.400 0.130 0.000 0.946 362 E CB 0.339 30.094 29.700 0.093 0.000 0.928 362 E HN 0.403 nan 8.360 nan 0.000 0.494 363 V N 4.620 124.605 119.914 0.118 0.000 2.604 363 V HA 0.120 4.421 4.120 0.302 0.000 0.305 363 V C 0.136 176.212 176.094 -0.030 0.000 1.043 363 V CA -1.238 61.055 62.300 -0.011 0.000 0.888 363 V CB 1.875 33.582 31.823 -0.193 0.000 0.995 363 V HN 0.648 nan 8.190 nan 0.000 0.429 364 N N 2.166 120.833 118.700 -0.054 0.000 2.345 364 N HA -0.023 4.898 4.740 0.302 0.000 0.243 364 N C 1.151 176.628 175.510 -0.055 0.000 1.246 364 N CA -0.026 53.000 53.050 -0.040 0.000 0.863 364 N CB 1.169 39.628 38.487 -0.046 0.000 1.096 364 N HN 0.442 nan 8.380 nan 0.000 0.446 365 V N 0.691 120.593 119.914 -0.020 0.000 3.244 365 V HA -0.187 4.114 4.120 0.302 0.000 0.273 365 V C 1.289 177.356 176.094 -0.045 0.000 1.180 365 V CA 0.517 62.808 62.300 -0.015 0.000 1.182 365 V CB -0.725 31.104 31.823 0.010 0.000 0.796 365 V HN 0.701 nan 8.190 nan 0.000 0.543 366 C N 0.423 119.681 119.300 -0.070 0.000 2.611 366 C HA 0.349 4.990 4.460 0.302 0.000 0.416 366 C C 1.516 176.439 174.990 -0.112 0.000 1.366 366 C CA 0.924 59.892 59.018 -0.084 0.000 1.761 366 C CB -1.073 26.611 27.740 -0.093 0.000 2.619 366 C HN 0.830 nan 8.230 nan 0.000 0.606 367 S N 1.449 117.096 115.700 -0.088 0.000 3.784 367 S HA -0.200 4.451 4.470 0.302 0.000 0.636 367 S C 0.299 174.851 174.600 -0.079 0.000 2.075 367 S CA 0.978 59.122 58.200 -0.093 0.000 2.280 367 S CB -0.822 62.301 63.200 -0.128 0.000 0.330 367 S HN 1.535 nan 8.310 nan 0.000 1.762 368 E N 0.135 120.290 120.200 -0.075 0.000 2.637 368 E HA -0.159 4.372 4.350 0.302 0.000 0.265 368 E C -2.111 174.396 176.600 -0.156 0.000 1.073 368 E CA 1.180 57.527 56.400 -0.089 0.000 0.778 368 E CB -1.051 28.608 29.700 -0.069 0.000 1.362 368 E HN 0.404 nan 8.360 nan 0.000 0.413 369 P HA 0.060 nan 4.420 nan 0.000 0.268 369 P C -0.376 176.611 177.300 -0.522 0.000 1.208 369 P CA 0.052 62.855 63.100 -0.495 0.000 0.777 369 P CB 1.077 32.291 31.700 -0.812 0.000 0.875 370 V N 3.096 122.664 119.914 -0.577 0.000 2.531 370 V HA 0.258 4.559 4.120 0.302 0.000 0.301 370 V C 0.401 176.263 176.094 -0.386 0.000 1.034 370 V CA -0.280 61.818 62.300 -0.337 0.000 0.865 370 V CB 2.132 33.848 31.823 -0.179 0.000 0.995 370 V HN 0.731 nan 8.190 nan 0.000 0.424 371 W N 1.133 122.405 121.300 -0.047 0.000 3.298 371 W HA 0.234 5.075 4.660 0.301 0.000 0.239 371 W C 0.758 177.252 176.519 -0.042 0.000 1.082 371 W CA -0.345 56.974 57.345 -0.043 0.000 1.711 371 W CB 0.236 29.669 29.460 -0.045 0.000 0.944 371 W HN 0.528 nan 8.180 nan 0.000 0.712 372 K N 2.034 122.553 120.400 0.199 0.000 4.430 372 K HA -0.218 4.283 4.320 0.302 0.000 0.283 372 K C -0.277 176.367 176.600 0.074 0.000 0.845 372 K CA 0.575 56.916 56.287 0.090 0.000 0.819 372 K CB -0.901 31.616 32.500 0.029 0.000 1.735 372 K HN 0.042 nan 8.250 nan 0.000 0.429 373 Q N 1.630 121.475 119.800 0.075 0.000 2.304 373 Q HA 0.266 4.787 4.340 0.302 0.000 0.270 373 Q C -0.384 175.611 176.000 -0.009 0.000 1.035 373 Q CA -0.854 54.970 55.803 0.034 0.000 0.781 373 Q CB 1.701 30.468 28.738 0.047 0.000 1.261 373 Q HN 0.202 nan 8.270 nan 0.000 0.444 374 R N 2.321 122.806 120.500 -0.026 0.000 2.489 374 R HA 0.285 4.806 4.340 0.302 0.000 0.287 374 R C -0.164 176.080 176.300 -0.094 0.000 1.053 374 R CA -0.015 56.054 56.100 -0.052 0.000 1.036 374 R CB 0.108 30.376 30.300 -0.053 0.000 0.966 374 R HN 0.474 nan 8.270 nan 0.000 0.432 375 L N 2.763 123.904 121.223 -0.137 0.000 2.295 375 L HA 0.322 4.843 4.340 0.302 0.000 0.281 375 L C 0.418 177.053 176.870 -0.392 0.000 1.018 375 L CA -0.370 54.308 54.840 -0.271 0.000 0.841 375 L CB 1.441 43.321 42.059 -0.298 0.000 1.218 375 L HN 0.477 nan 8.230 nan 0.000 0.424 376 E N 2.870 122.873 120.200 -0.328 0.000 2.197 376 E HA 0.425 4.956 4.350 0.302 0.000 0.281 376 E C -1.253 175.170 176.600 -0.295 0.000 0.995 376 E CA -0.634 55.631 56.400 -0.225 0.000 0.808 376 E CB 1.109 30.752 29.700 -0.096 0.000 1.093 376 E HN 0.248 nan 8.360 nan 0.000 0.394 377 F N 1.929 121.898 119.950 0.030 0.000 2.397 377 F HA 0.122 4.830 4.527 0.302 0.000 0.331 377 F C 1.012 176.841 175.800 0.048 0.000 1.090 377 F CA -0.717 57.319 58.000 0.061 0.000 1.065 377 F CB 0.942 40.031 39.000 0.148 0.000 1.184 377 F HN 0.392 nan 8.300 nan 0.000 0.499 378 D N 3.472 123.996 120.400 0.206 0.000 2.885 378 D HA 0.185 5.006 4.640 0.302 0.000 0.234 378 D C -0.757 175.612 176.300 0.115 0.000 1.129 378 D CA 0.548 54.616 54.000 0.113 0.000 0.991 378 D CB -0.583 40.256 40.800 0.065 0.000 1.137 378 D HN 0.449 nan 8.370 nan 0.000 0.459 379 I N -0.662 119.997 120.570 0.148 0.000 2.828 379 I HA 0.135 4.486 4.170 0.302 0.000 0.295 379 I C -1.075 175.118 176.117 0.127 0.000 1.459 379 I CA -0.539 60.828 61.300 0.111 0.000 1.015 379 I CB 1.847 39.894 38.000 0.078 0.000 1.345 379 I HN -0.171 nan 8.210 nan 0.000 0.449 380 S N 3.225 118.976 115.700 0.084 0.000 2.584 380 S HA 0.299 4.950 4.470 0.302 0.000 0.273 380 S C 0.950 175.592 174.600 0.070 0.000 1.311 380 S CA -0.439 57.804 58.200 0.072 0.000 1.034 380 S CB 1.629 64.849 63.200 0.034 0.000 0.939 380 S HN 0.470 nan 8.310 nan 0.000 0.513 381 V N 3.673 123.636 119.914 0.081 0.000 2.407 381 V HA -0.184 4.117 4.120 0.302 0.000 0.248 381 V C 2.549 178.655 176.094 0.020 0.000 1.055 381 V CA 2.127 64.472 62.300 0.074 0.000 1.049 381 V CB -1.022 30.874 31.823 0.121 0.000 0.662 381 V HN 1.119 nan 8.190 nan 0.000 0.455 382 C N -0.743 118.530 119.300 -0.045 0.000 2.437 382 C HA -0.075 4.566 4.460 0.302 0.000 0.283 382 C C 1.898 176.808 174.990 -0.134 0.000 1.424 382 C CA 0.411 59.341 59.018 -0.146 0.000 1.782 382 C CB -1.172 26.387 27.740 -0.302 0.000 1.833 382 C HN 0.547 nan 8.230 nan 0.000 0.532 383 D N 0.818 121.218 120.400 0.000 0.000 2.354 383 D HA 0.193 5.014 4.640 0.302 0.000 0.209 383 D C 0.714 177.100 176.300 0.144 0.000 1.015 383 D CA 0.148 54.217 54.000 0.114 0.000 0.867 383 D CB -0.109 40.762 40.800 0.119 0.000 0.933 383 D HN 0.548 nan 8.370 nan 0.000 0.520 384 L N 3.989 125.287 121.223 0.124 0.000 2.615 384 L HA 0.063 4.584 4.340 0.302 0.000 0.271 384 L C -1.852 175.230 176.870 0.353 0.000 1.183 384 L CA -0.976 53.959 54.840 0.158 0.000 0.933 384 L CB -0.156 41.945 42.059 0.070 0.000 1.199 384 L HN -0.178 nan 8.230 nan 0.000 0.487 385 P HA 0.062 nan 4.420 nan 0.000 0.274 385 P C 0.232 177.665 177.300 0.222 0.000 1.237 385 P CA -0.632 62.674 63.100 0.343 0.000 0.793 385 P CB 0.825 32.675 31.700 0.250 0.000 0.977 386 R N 1.987 122.358 120.500 -0.216 0.000 2.133 386 R HA -0.109 4.412 4.340 0.302 0.000 0.247 386 R C 1.525 177.691 176.300 -0.225 0.000 1.151 386 R CA 2.003 57.601 56.100 -0.837 0.000 0.971 386 R CB -0.783 28.743 30.300 -1.289 0.000 0.866 386 R HN 0.387 nan 8.270 nan 0.000 0.447 387 M N 0.509 120.091 119.600 -0.030 0.000 2.626 387 M HA 0.332 4.993 4.480 0.302 0.000 0.262 387 M C -0.118 176.192 176.300 0.017 0.000 1.256 387 M CA -0.287 54.997 55.300 -0.027 0.000 0.981 387 M CB -0.278 32.186 32.600 -0.226 0.000 1.492 387 M HN 0.136 nan 8.290 nan 0.000 0.474 388 A N 1.722 124.636 122.820 0.158 0.000 2.520 388 A HA 0.272 4.773 4.320 0.302 0.000 0.245 388 A C 0.366 177.975 177.584 0.042 0.000 1.072 388 A CA 0.174 52.276 52.037 0.108 0.000 0.761 388 A CB 0.182 19.237 19.000 0.093 0.000 1.004 388 A HN 0.581 nan 8.150 nan 0.000 0.499 389 R N 2.530 123.037 120.500 0.012 0.000 2.451 389 R HA 0.458 4.979 4.340 0.302 0.000 0.307 389 R C -1.584 174.728 176.300 0.019 0.000 0.965 389 R CA -0.729 55.386 56.100 0.026 0.000 0.865 389 R CB 0.961 31.292 30.300 0.051 0.000 1.174 389 R HN 0.662 nan 8.270 nan 0.000 0.455 390 L N 5.430 126.639 121.223 -0.023 0.000 2.264 390 L HA 0.439 4.960 4.340 0.302 0.000 0.289 390 L C -1.325 175.472 176.870 -0.120 0.000 1.044 390 L CA -0.209 54.565 54.840 -0.110 0.000 0.807 390 L CB 1.003 42.995 42.059 -0.111 0.000 1.192 390 L HN 0.657 nan 8.230 nan 0.000 0.425 391 C N 5.170 124.378 119.300 -0.154 0.000 2.417 391 C HA 0.661 5.302 4.460 0.302 0.000 0.324 391 C C -0.441 174.403 174.990 -0.242 0.000 1.240 391 C CA -0.686 58.298 59.018 -0.056 0.000 1.632 391 C CB 0.541 28.341 27.740 0.100 0.000 2.241 391 C HN 0.700 nan 8.230 nan 0.000 0.499 392 F N 1.627 121.716 119.950 0.232 0.000 2.532 392 F HA 0.713 5.421 4.527 0.302 0.000 0.321 392 F C 0.374 176.310 175.800 0.226 0.000 1.089 392 F CA -0.417 57.693 58.000 0.184 0.000 0.926 392 F CB 1.440 40.506 39.000 0.110 0.000 1.168 392 F HN 0.684 nan 8.300 nan 0.000 0.459 393 A N 3.283 126.325 122.820 0.370 0.000 2.398 393 A HA 0.771 5.272 4.320 0.302 0.000 0.301 393 A C -1.974 175.688 177.584 0.130 0.000 1.041 393 A CA -0.615 51.623 52.037 0.335 0.000 0.711 393 A CB 1.474 20.714 19.000 0.400 0.000 1.240 393 A HN 0.844 nan 8.150 nan 0.000 0.420 394 L N 3.343 124.628 121.223 0.104 0.000 2.313 394 L HA 0.901 5.422 4.340 0.302 0.000 0.283 394 L C -1.111 175.787 176.870 0.046 0.000 1.013 394 L CA -0.415 54.375 54.840 -0.083 0.000 0.816 394 L CB 1.085 43.138 42.059 -0.011 0.000 1.236 394 L HN 0.815 nan 8.230 nan 0.000 0.419 395 Y N 3.012 123.385 120.300 0.122 0.000 2.818 395 Y HA 0.947 5.678 4.550 0.302 0.000 0.322 395 Y C -0.835 175.129 175.900 0.107 0.000 1.323 395 Y CA -1.005 57.161 58.100 0.110 0.000 1.090 395 Y CB 0.865 39.384 38.460 0.098 0.000 1.328 395 Y HN 0.634 nan 8.280 nan 0.000 0.482 396 A N 0.544 123.575 122.820 0.352 0.000 2.380 396 A HA 0.901 5.402 4.320 0.302 0.000 0.315 396 A C -1.488 176.228 177.584 0.220 0.000 1.101 396 A CA -0.733 51.442 52.037 0.231 0.000 0.771 396 A CB 1.813 20.902 19.000 0.149 0.000 1.287 396 A HN 1.286 nan 8.150 nan 0.000 0.436 397 V N 1.180 121.195 119.914 0.168 0.000 3.264 397 V HA 0.520 4.822 4.120 0.302 0.000 0.294 397 V C -0.435 175.714 176.094 0.092 0.000 1.429 397 V CA -0.455 61.922 62.300 0.128 0.000 1.053 397 V CB 2.233 34.148 31.823 0.153 0.000 1.128 397 V HN 1.093 nan 8.190 nan 0.000 0.452 416 C N 3.810 123.143 119.300 0.055 0.000 2.301 416 C HA 0.539 5.180 4.460 0.302 0.000 0.313 416 C C -2.522 172.560 174.990 0.153 0.000 1.121 416 C CA -1.741 57.330 59.018 0.089 0.000 1.507 416 C CB -0.396 27.400 27.740 0.093 0.000 1.975 416 C HN 0.267 nan 8.230 nan 0.000 0.425 417 P HA 0.335 nan 4.420 nan 0.000 0.276 417 P C 0.192 177.609 177.300 0.195 0.000 1.230 417 P CA 0.182 63.405 63.100 0.205 0.000 0.776 417 P CB 0.912 32.702 31.700 0.151 0.000 0.888 418 I N 1.431 122.135 120.570 0.224 0.000 3.443 418 I HA 0.371 4.723 4.170 0.302 0.000 0.277 418 I C 0.753 176.974 176.117 0.174 0.000 1.169 418 I CA 0.579 61.980 61.300 0.168 0.000 1.419 418 I CB 0.257 38.341 38.000 0.140 0.000 1.331 418 I HN 0.359 nan 8.210 nan 0.000 0.458 419 A N -0.082 122.867 122.820 0.214 0.000 2.586 419 A HA 0.597 5.098 4.320 0.302 0.000 0.291 419 A C -2.201 175.572 177.584 0.314 0.000 1.062 419 A CA -0.607 51.547 52.037 0.194 0.000 0.666 419 A CB 0.775 19.810 19.000 0.057 0.000 1.281 419 A HN 0.260 nan 8.150 nan 0.000 0.421 420 W N -0.831 120.583 121.300 0.190 0.000 3.062 420 W HA 0.855 5.696 4.660 0.301 0.000 0.336 420 W C -0.788 175.891 176.519 0.268 0.000 1.224 420 W CA -0.725 56.744 57.345 0.206 0.000 1.159 420 W CB 1.383 30.941 29.460 0.164 0.000 1.454 420 W HN 1.855 nan 8.180 nan 0.000 0.569 421 A N 2.531 125.678 122.820 0.544 0.000 2.555 421 A HA 0.583 5.084 4.320 0.302 0.000 0.297 421 A C -1.707 176.212 177.584 0.558 0.000 1.060 421 A CA -0.768 51.501 52.037 0.386 0.000 0.710 421 A CB 1.477 20.582 19.000 0.176 0.000 1.282 421 A HN 0.576 nan 8.150 nan 0.000 0.399 422 N N 0.742 119.731 118.700 0.482 0.000 2.265 422 N HA 0.812 5.733 4.740 0.302 0.000 0.300 422 N C -1.200 174.467 175.510 0.263 0.000 1.148 422 N CA -0.481 52.780 53.050 0.352 0.000 0.772 422 N CB 2.179 40.840 38.487 0.290 0.000 1.434 422 N HN 0.760 nan 8.380 nan 0.000 0.481 423 L N -1.609 119.734 121.223 0.201 0.000 2.465 423 L HA 0.628 5.149 4.340 0.302 0.000 0.257 423 L C -0.526 176.397 176.870 0.087 0.000 0.988 423 L CA -0.931 53.996 54.840 0.144 0.000 0.827 423 L CB 0.291 42.452 42.059 0.170 0.000 1.397 423 L HN 0.276 nan 8.230 nan 0.000 0.410 424 M N 2.162 121.798 119.600 0.061 0.000 2.238 424 M HA 0.301 4.962 4.480 0.302 0.000 0.347 424 M C 1.254 177.611 176.300 0.095 0.000 1.173 424 M CA 0.006 55.349 55.300 0.070 0.000 1.147 424 M CB 0.919 33.556 32.600 0.062 0.000 1.547 424 M HN 0.747 nan 8.290 nan 0.000 0.455 425 L N 1.338 122.592 121.223 0.052 0.000 2.270 425 L HA 0.064 4.585 4.340 0.302 0.000 0.210 425 L C 0.091 176.825 176.870 -0.226 0.000 1.104 425 L CA 0.722 55.485 54.840 -0.127 0.000 0.804 425 L CB -0.032 41.822 42.059 -0.343 0.000 0.937 425 L HN 0.443 nan 8.230 nan 0.000 0.450 426 F N 0.234 120.252 119.950 0.114 0.000 2.480 426 F HA 0.211 4.919 4.527 0.302 0.000 0.329 426 F C 0.604 176.540 175.800 0.226 0.000 1.091 426 F CA -1.655 56.427 58.000 0.138 0.000 0.972 426 F CB 0.921 39.998 39.000 0.127 0.000 1.150 426 F HN -0.046 nan 8.300 nan 0.000 0.467 427 D N 1.294 121.896 120.400 0.337 0.000 2.414 427 D HA -0.085 4.736 4.640 0.302 0.000 0.259 427 D C 0.824 177.221 176.300 0.160 0.000 1.269 427 D CA -0.263 53.942 54.000 0.342 0.000 1.028 427 D CB -0.052 40.899 40.800 0.252 0.000 1.093 427 D HN 0.627 nan 8.370 nan 0.000 0.545 428 Y N -2.098 118.161 120.300 -0.069 0.000 2.616 428 Y HA 0.225 4.956 4.550 0.302 0.000 0.296 428 Y C 0.999 176.758 175.900 -0.235 0.000 1.154 428 Y CA 0.325 58.148 58.100 -0.461 0.000 1.325 428 Y CB -0.175 38.167 38.460 -0.197 0.000 1.007 428 Y HN 0.052 nan 8.280 nan 0.000 0.542 429 K N 0.790 120.883 120.400 -0.512 0.000 2.440 429 K HA 0.071 4.572 4.320 0.302 0.000 0.206 429 K C -0.461 176.152 176.600 0.021 0.000 1.025 429 K CA 0.543 56.628 56.287 -0.337 0.000 1.135 429 K CB -0.003 32.280 32.500 -0.360 0.000 0.856 429 K HN 0.378 nan 8.250 nan 0.000 0.502 430 D N 0.665 121.080 120.400 0.025 0.000 3.076 430 D HA -0.211 4.610 4.640 0.302 0.000 0.218 430 D C 0.178 176.727 176.300 0.416 0.000 1.156 430 D CA 0.953 55.048 54.000 0.159 0.000 0.921 430 D CB -1.180 39.700 40.800 0.133 0.000 1.113 430 D HN 0.433 nan 8.370 nan 0.000 0.418 431 Q N 0.469 120.453 119.800 0.306 0.000 2.257 431 Q HA 0.449 4.970 4.340 0.302 0.000 0.255 431 Q C -0.281 175.819 176.000 0.168 0.000 0.920 431 Q CA -0.860 54.980 55.803 0.061 0.000 0.927 431 Q CB 1.299 29.864 28.738 -0.287 0.000 1.229 431 Q HN 0.222 nan 8.270 nan 0.000 0.433 432 L N 3.671 124.928 121.223 0.057 0.000 2.456 432 L HA 0.166 4.687 4.340 0.302 0.000 0.272 432 L C -0.576 176.189 176.870 -0.176 0.000 1.189 432 L CA 0.643 55.299 54.840 -0.307 0.000 0.846 432 L CB 0.543 42.380 42.059 -0.370 0.000 1.111 432 L HN 0.585 nan 8.230 nan 0.000 0.475 433 K N 2.790 123.084 120.400 -0.177 0.000 2.174 433 K HA 0.572 5.073 4.320 0.302 0.000 0.275 433 K C -0.532 176.010 176.600 -0.096 0.000 1.015 433 K CA -0.236 56.000 56.287 -0.085 0.000 0.933 433 K CB 1.037 33.517 32.500 -0.035 0.000 1.025 433 K HN 0.830 nan 8.250 nan 0.000 0.463 434 T N -1.981 112.506 114.554 -0.113 0.000 2.840 434 T HA 0.429 4.960 4.350 0.302 0.000 0.317 434 T C 0.396 174.987 174.700 -0.183 0.000 1.401 434 T CA -0.842 61.139 62.100 -0.200 0.000 1.028 434 T CB 1.664 70.436 68.868 -0.160 0.000 1.317 434 T HN 0.524 nan 8.240 nan 0.000 0.495 435 G N -0.105 108.523 108.800 -0.285 0.000 2.764 435 G HA2 0.326 4.467 3.960 0.302 0.000 0.218 435 G HA3 0.326 4.467 3.960 0.302 0.000 0.218 435 G C 0.067 174.478 174.900 -0.816 0.000 1.304 435 G CA -0.157 44.467 45.100 -0.793 0.000 0.847 435 G HN 0.940 nan 8.290 nan 0.000 0.610 436 E N 0.523 120.527 120.200 -0.326 0.000 2.313 436 E HA 0.527 5.058 4.350 0.302 0.000 0.276 436 E C -0.624 175.955 176.600 -0.034 0.000 1.031 436 E CA -0.402 55.991 56.400 -0.012 0.000 0.857 436 E CB 0.764 30.584 29.700 0.201 0.000 1.040 436 E HN 0.025 nan 8.360 nan 0.000 0.408 437 R N 2.130 122.614 120.500 -0.027 0.000 2.807 437 R HA 0.412 4.933 4.340 0.302 0.000 0.276 437 R C -1.532 174.722 176.300 -0.077 0.000 0.979 437 R CA -0.471 55.610 56.100 -0.033 0.000 0.928 437 R CB 1.880 32.171 30.300 -0.016 0.000 1.191 437 R HN 0.559 nan 8.270 nan 0.000 0.471 438 C N 4.660 123.892 119.300 -0.114 0.000 2.281 438 C HA 0.588 5.229 4.460 0.302 0.000 0.323 438 C C -0.929 173.835 174.990 -0.378 0.000 1.270 438 C CA -0.677 58.184 59.018 -0.261 0.000 1.559 438 C CB -0.682 26.890 27.740 -0.280 0.000 2.239 438 C HN 0.696 nan 8.230 nan 0.000 0.488 439 L N 7.177 128.152 121.223 -0.414 0.000 2.283 439 L HA 0.371 4.892 4.340 0.302 0.000 0.281 439 L C -0.892 175.727 176.870 -0.419 0.000 1.033 439 L CA -0.406 54.243 54.840 -0.319 0.000 0.848 439 L CB 0.409 42.342 42.059 -0.210 0.000 1.226 439 L HN 0.650 nan 8.230 nan 0.000 0.429 440 Y N 3.670 123.854 120.300 -0.193 0.000 2.480 440 Y HA 0.257 4.988 4.550 0.302 0.000 0.341 440 Y C 0.708 176.332 175.900 -0.460 0.000 1.031 440 Y CA -0.132 57.792 58.100 -0.292 0.000 1.295 440 Y CB 0.384 38.658 38.460 -0.309 0.000 1.162 440 Y HN 0.443 nan 8.280 nan 0.000 0.523 441 M N 2.750 122.173 119.600 -0.294 0.000 2.342 441 M HA 0.262 4.923 4.480 0.302 0.000 0.332 441 M C -1.003 174.965 176.300 -0.552 0.000 1.166 441 M CA -0.504 54.569 55.300 -0.378 0.000 1.086 441 M CB 1.095 33.581 32.600 -0.190 0.000 1.541 441 M HN 0.595 nan 8.290 nan 0.000 0.462 442 W N 1.764 122.699 121.300 -0.610 0.000 2.417 442 W HA 0.432 5.273 4.660 0.301 0.000 0.317 442 W C -2.206 174.090 176.519 -0.371 0.000 1.121 442 W CA -1.598 55.380 57.345 -0.611 0.000 1.208 442 W CB 0.117 28.924 29.460 -1.089 0.000 1.253 442 W HN 0.301 nan 8.180 nan 0.000 0.533 443 P HA 0.132 nan 4.420 nan 0.000 0.271 443 P C -0.180 177.280 177.300 0.267 0.000 1.218 443 P CA -0.032 63.154 63.100 0.143 0.000 0.780 443 P CB 0.970 32.740 31.700 0.116 0.000 0.901 444 S N 0.549 116.406 115.700 0.262 0.000 2.707 444 S HA 0.281 4.932 4.470 0.302 0.000 0.276 444 S C 0.494 175.207 174.600 0.189 0.000 1.179 444 S CA -0.723 57.660 58.200 0.305 0.000 0.992 444 S CB 0.775 64.148 63.200 0.288 0.000 1.030 444 S HN 0.318 nan 8.310 nan 0.000 0.554 453 L N 2.554 123.822 121.223 0.076 0.000 2.360 453 L HA 0.642 5.164 4.340 0.302 0.000 0.276 453 L C 0.362 177.122 176.870 -0.183 0.000 1.121 453 L CA 0.171 55.031 54.840 0.033 0.000 0.845 453 L CB 0.833 42.978 42.059 0.143 0.000 1.143 453 L HN 0.581 nan 8.230 nan 0.000 0.452 454 N N 5.384 123.902 118.700 -0.303 0.000 3.012 454 N HA 0.324 5.245 4.740 0.302 0.000 0.270 454 N C -1.937 173.228 175.510 -0.576 0.000 1.469 454 N CA -1.748 50.966 53.050 -0.560 0.000 0.928 454 N CB 0.881 38.751 38.487 -1.029 0.000 1.219 454 N HN 0.258 nan 8.380 nan 0.000 0.492 455 P HA -0.112 nan 4.420 nan 0.000 0.218 455 P C 0.774 177.852 177.300 -0.371 0.000 1.148 455 P CA 0.859 63.612 63.100 -0.579 0.000 0.822 455 P CB 0.270 31.405 31.700 -0.941 0.000 0.784 456 A N -0.056 122.448 122.820 -0.528 0.000 2.206 456 A HA 0.260 4.761 4.320 0.302 0.000 0.211 456 A C 1.487 178.702 177.584 -0.615 0.000 1.158 456 A CA 0.465 51.975 52.037 -0.877 0.000 0.761 456 A CB -1.264 17.265 19.000 -0.786 0.000 0.801 456 A HN 0.299 nan 8.150 nan 0.000 0.473 457 G N -0.696 107.753 108.800 -0.586 0.000 2.544 457 G HA2 0.358 4.500 3.960 0.302 0.000 0.242 457 G HA3 0.358 4.500 3.960 0.302 0.000 0.242 457 G C 0.338 175.160 174.900 -0.130 0.000 1.247 457 G CA 0.482 45.273 45.100 -0.516 0.000 0.840 457 G HN 0.206 nan 8.290 nan 0.000 0.578 458 T N -1.141 113.397 114.554 -0.026 0.000 2.856 458 T HA 0.059 4.590 4.350 0.302 0.000 0.329 458 T C 1.462 176.233 174.700 0.119 0.000 1.094 458 T CA 0.549 62.638 62.100 -0.018 0.000 1.112 458 T CB 0.441 69.246 68.868 -0.106 0.000 1.009 458 T HN 1.014 nan 8.240 nan 0.000 0.550 459 V N 1.926 121.876 119.914 0.060 0.000 3.271 459 V HA 0.495 4.796 4.120 0.302 0.000 0.327 459 V C 0.591 176.751 176.094 0.111 0.000 1.389 459 V CA -0.334 62.019 62.300 0.088 0.000 1.156 459 V CB -0.818 30.998 31.823 -0.010 0.000 1.103 459 V HN 0.684 nan 8.190 nan 0.000 0.453 460 R N 0.638 121.232 120.500 0.156 0.000 2.637 460 R HA 0.684 5.205 4.340 0.302 0.000 0.291 460 R C 0.648 177.130 176.300 0.304 0.000 0.963 460 R CA -0.092 56.111 56.100 0.173 0.000 0.901 460 R CB 1.757 32.128 30.300 0.119 0.000 1.160 460 R HN 0.462 nan 8.270 nan 0.000 0.457 461 G N 1.902 110.811 108.800 0.182 0.000 2.594 461 G HA2 -0.091 4.050 3.960 0.302 0.000 0.243 461 G HA3 -0.091 4.050 3.960 0.302 0.000 0.243 461 G C -0.325 174.462 174.900 -0.188 0.000 1.229 461 G CA -0.444 44.687 45.100 0.052 0.000 0.843 461 G HN 0.653 nan 8.290 nan 0.000 0.578 462 N N 1.601 119.761 118.700 -0.900 0.000 2.414 462 N HA 0.040 4.961 4.740 0.302 0.000 0.268 462 N C -0.775 174.344 175.510 -0.652 0.000 1.286 462 N CA -1.678 50.485 53.050 -1.479 0.000 0.896 462 N CB 1.415 38.963 38.487 -1.566 0.000 1.093 462 N HN 0.125 nan 8.380 nan 0.000 0.480 463 P HA -0.116 nan 4.420 nan 0.000 0.222 463 P C 0.114 177.234 177.300 -0.301 0.000 1.147 463 P CA 0.704 63.643 63.100 -0.268 0.000 0.790 463 P CB 0.175 31.804 31.700 -0.120 0.000 0.780 464 N N 1.073 119.580 118.700 -0.321 0.000 2.739 464 N HA 0.002 4.923 4.740 0.302 0.000 0.266 464 N C 0.969 176.288 175.510 -0.319 0.000 1.168 464 N CA 0.283 53.178 53.050 -0.257 0.000 1.055 464 N CB -0.262 38.112 38.487 -0.188 0.000 1.393 464 N HN 0.048 nan 8.380 nan 0.000 0.514 465 T N -0.840 113.473 114.554 -0.403 0.000 2.951 465 T HA -0.114 4.417 4.350 0.302 0.000 0.268 465 T C 1.368 175.911 174.700 -0.261 0.000 1.073 465 T CA 0.807 62.564 62.100 -0.572 0.000 1.134 465 T CB -0.026 68.354 68.868 -0.814 0.000 0.884 465 T HN 0.557 nan 8.240 nan 0.000 0.479 466 E N 0.955 121.049 120.200 -0.176 0.000 2.051 466 E HA -0.144 4.387 4.350 0.302 0.000 0.192 466 E C 2.207 178.768 176.600 -0.064 0.000 0.991 466 E CA 1.365 57.709 56.400 -0.094 0.000 0.799 466 E CB -0.254 29.399 29.700 -0.078 0.000 0.748 466 E HN 0.499 nan 8.360 nan 0.000 0.449 467 S N -0.629 115.023 115.700 -0.079 0.000 2.483 467 S HA 0.303 4.954 4.470 0.302 0.000 0.221 467 S C 0.418 174.986 174.600 -0.053 0.000 1.030 467 S CA 0.214 58.380 58.200 -0.056 0.000 0.925 467 S CB 0.285 63.452 63.200 -0.055 0.000 0.795 467 S HN 0.446 nan 8.310 nan 0.000 0.511 468 A N 1.907 124.678 122.820 -0.081 0.000 2.520 468 A HA 0.606 5.107 4.320 0.302 0.000 0.245 468 A C 0.546 178.125 177.584 -0.008 0.000 1.072 468 A CA 0.062 52.051 52.037 -0.080 0.000 0.761 468 A CB -0.197 18.716 19.000 -0.145 0.000 1.004 468 A HN 0.559 nan 8.150 nan 0.000 0.499 469 A N 1.843 124.640 122.820 -0.038 0.000 2.531 469 A HA 0.481 4.982 4.320 0.302 0.000 0.236 469 A C 0.644 178.189 177.584 -0.064 0.000 1.062 469 A CA 0.603 52.621 52.037 -0.031 0.000 0.760 469 A CB -0.114 18.870 19.000 -0.026 0.000 0.995 469 A HN 2.334 nan 8.150 nan 0.000 0.501 470 A N 2.829 125.595 122.820 -0.090 0.000 2.357 470 A HA 0.602 5.103 4.320 0.302 0.000 0.295 470 A C -0.534 176.934 177.584 -0.193 0.000 1.121 470 A CA -0.422 51.479 52.037 -0.227 0.000 0.742 470 A CB 0.643 19.446 19.000 -0.329 0.000 1.181 470 A HN 0.796 nan 8.150 nan 0.000 0.454 471 L N 3.036 124.116 121.223 -0.238 0.000 2.312 471 L HA 0.558 5.079 4.340 0.302 0.000 0.281 471 L C -0.149 176.571 176.870 -0.251 0.000 1.070 471 L CA -0.838 53.868 54.840 -0.222 0.000 0.805 471 L CB 1.701 43.555 42.059 -0.342 0.000 1.174 471 L HN 0.605 nan 8.230 nan 0.000 0.434 472 V N 2.668 122.486 119.914 -0.160 0.000 2.417 472 V HA 0.644 4.945 4.120 0.302 0.000 0.291 472 V C -0.168 175.869 176.094 -0.095 0.000 1.024 472 V CA -0.645 61.579 62.300 -0.127 0.000 0.861 472 V CB 1.256 33.037 31.823 -0.070 0.000 0.985 472 V HN 0.694 nan 8.190 nan 0.000 0.436 473 I N 1.898 122.416 120.570 -0.086 0.000 3.264 473 I HA 0.786 5.137 4.170 0.302 0.000 0.309 473 I C -1.361 174.816 176.117 0.100 0.000 1.099 473 I CA -1.341 59.945 61.300 -0.023 0.000 0.989 473 I CB 2.452 40.406 38.000 -0.077 0.000 1.250 473 I HN 0.652 nan 8.210 nan 0.000 0.478 474 Y N 2.460 122.755 120.300 -0.009 0.000 2.331 474 Y HA 0.587 5.318 4.550 0.302 0.000 0.326 474 Y C -1.615 174.287 175.900 0.004 0.000 1.020 474 Y CA -0.903 57.195 58.100 -0.003 0.000 1.136 474 Y CB 1.517 39.969 38.460 -0.013 0.000 1.157 474 Y HN 0.445 nan 8.280 nan 0.000 0.444 475 L N 9.056 130.071 121.223 -0.347 0.000 2.281 475 L HA 0.447 4.968 4.340 0.302 0.000 0.285 475 L C -2.324 174.318 176.870 -0.380 0.000 1.074 475 L CA -2.702 51.999 54.840 -0.232 0.000 0.817 475 L CB 0.390 42.379 42.059 -0.117 0.000 1.168 475 L HN 0.499 nan 8.230 nan 0.000 0.434 476 P HA 0.186 nan 4.420 nan 0.000 0.285 476 P C -0.842 176.467 177.300 0.014 0.000 1.259 476 P CA -0.724 62.415 63.100 0.065 0.000 0.794 476 P CB 0.466 32.223 31.700 0.094 0.000 0.940 477 E N 1.663 121.898 120.200 0.058 0.000 2.292 477 E HA 0.055 4.586 4.350 0.302 0.000 0.265 477 E C 0.734 177.352 176.600 0.031 0.000 1.093 477 E CA -0.350 56.067 56.400 0.029 0.000 0.922 477 E CB 0.176 29.904 29.700 0.047 0.000 1.001 477 E HN 0.294 nan 8.360 nan 0.000 0.444 478 V N 0.007 119.932 119.914 0.018 0.000 3.636 478 V HA 0.436 4.737 4.120 0.302 0.000 0.279 478 V C 0.489 176.591 176.094 0.012 0.000 1.263 478 V CA 0.564 62.876 62.300 0.020 0.000 1.182 478 V CB -1.112 30.729 31.823 0.029 0.000 0.955 478 V HN 0.726 nan 8.190 nan 0.000 0.443 483 V N -0.723 119.070 119.914 -0.201 0.000 2.540 483 V HA 0.793 5.094 4.120 0.302 0.000 0.302 483 V C -0.981 175.018 176.094 -0.157 0.000 1.035 483 V CA -0.711 61.540 62.300 -0.082 0.000 0.873 483 V CB 1.658 33.490 31.823 0.016 0.000 0.992 483 V HN 0.446 nan 8.190 nan 0.000 0.428 484 Y N 2.433 122.826 120.300 0.156 0.000 2.587 484 Y HA 0.642 5.373 4.550 0.302 0.000 0.337 484 Y C -0.158 175.855 175.900 0.189 0.000 1.065 484 Y CA -1.100 57.113 58.100 0.190 0.000 1.126 484 Y CB 1.881 40.409 38.460 0.114 0.000 1.279 484 Y HN 0.736 nan 8.280 nan 0.000 0.489 485 F N 3.646 123.711 119.950 0.193 0.000 2.495 485 F HA 0.355 5.064 4.527 0.302 0.000 0.365 485 F C -1.956 173.885 175.800 0.069 0.000 1.090 485 F CA -2.036 55.959 58.000 -0.008 0.000 1.235 485 F CB 0.438 39.254 39.000 -0.307 0.000 1.119 485 F HN 0.270 nan 8.300 nan 0.000 0.562 486 P HA 0.124 nan 4.420 nan 0.000 0.267 486 P C -1.076 176.318 177.300 0.156 0.000 1.200 486 P CA -0.179 62.905 63.100 -0.027 0.000 0.772 486 P CB 0.467 32.076 31.700 -0.152 0.000 0.855 487 A N 2.192 125.078 122.820 0.111 0.000 2.425 487 A HA 0.048 4.549 4.320 0.302 0.000 0.242 487 A C 1.351 179.016 177.584 0.135 0.000 1.077 487 A CA -0.304 51.811 52.037 0.130 0.000 0.781 487 A CB -0.324 18.715 19.000 0.066 0.000 1.020 487 A HN 0.640 nan 8.150 nan 0.000 0.494 488 L N 0.929 122.245 121.223 0.155 0.000 2.129 488 L HA -0.225 4.296 4.340 0.302 0.000 0.212 488 L C 2.497 179.384 176.870 0.029 0.000 1.087 488 L CA 2.760 57.637 54.840 0.062 0.000 0.757 488 L CB -0.789 41.280 42.059 0.016 0.000 0.896 488 L HN 0.971 nan 8.230 nan 0.000 0.434 489 E N -1.472 118.751 120.200 0.038 0.000 2.153 489 E HA -0.247 4.284 4.350 0.302 0.000 0.194 489 E C 1.783 178.384 176.600 0.001 0.000 0.988 489 E CA 1.140 57.551 56.400 0.019 0.000 0.811 489 E CB -0.210 29.500 29.700 0.016 0.000 0.746 489 E HN 0.364 nan 8.360 nan 0.000 0.466 490 K N 0.325 120.727 120.400 0.002 0.000 2.186 490 K HA 0.027 4.528 4.320 0.302 0.000 0.202 490 K C 2.184 178.769 176.600 -0.026 0.000 1.052 490 K CA 0.412 56.683 56.287 -0.027 0.000 0.965 490 K CB 0.022 32.503 32.500 -0.031 0.000 0.746 490 K HN 0.275 nan 8.250 nan 0.000 0.457 491 I N 1.386 121.964 120.570 0.014 0.000 2.179 491 I HA -0.232 4.119 4.170 0.302 0.000 0.242 491 I C 2.341 178.461 176.117 0.004 0.000 1.088 491 I CA 1.223 62.540 61.300 0.028 0.000 1.357 491 I CB -1.097 36.942 38.000 0.065 0.000 1.051 491 I HN 0.055 nan 8.210 nan 0.000 0.409 492 L N 0.264 121.497 121.223 0.017 0.000 2.141 492 L HA -0.167 4.354 4.340 0.302 0.000 0.209 492 L C 2.528 179.348 176.870 -0.083 0.000 1.094 492 L CA 1.066 55.939 54.840 0.055 0.000 0.763 492 L CB -0.545 41.589 42.059 0.124 0.000 0.908 492 L HN 0.268 nan 8.230 nan 0.000 0.437 493 E N -0.031 120.122 120.200 -0.079 0.000 2.038 493 E HA -0.207 4.324 4.350 0.302 0.000 0.195 493 E C 0.968 177.469 176.600 -0.164 0.000 1.000 493 E CA 0.866 57.194 56.400 -0.121 0.000 0.803 493 E CB -0.057 29.583 29.700 -0.101 0.000 0.750 493 E HN 0.126 nan 8.360 nan 0.000 0.448 512 R N 1.657 122.113 120.500 -0.075 0.000 2.062 512 R HA 0.061 4.582 4.340 0.302 0.000 0.229 512 R C 1.578 177.748 176.300 -0.216 0.000 1.128 512 R CA 2.024 58.039 56.100 -0.141 0.000 0.960 512 R CB -0.167 30.046 30.300 -0.146 0.000 0.855 512 R HN 0.601 nan 8.270 nan 0.000 0.432 513 E N 0.281 120.375 120.200 -0.176 0.000 2.106 513 E HA -0.160 4.371 4.350 0.302 0.000 0.192 513 E C 1.986 178.535 176.600 -0.084 0.000 0.984 513 E CA 0.735 57.045 56.400 -0.149 0.000 0.806 513 E CB -0.169 29.541 29.700 0.016 0.000 0.750 513 E HN 0.124 nan 8.360 nan 0.000 0.458 514 I N 1.279 121.814 120.570 -0.058 0.000 2.454 514 I HA -0.234 4.117 4.170 0.302 0.000 0.254 514 I C 2.116 178.204 176.117 -0.050 0.000 1.156 514 I CA 0.928 62.206 61.300 -0.036 0.000 1.433 514 I CB 0.052 38.040 38.000 -0.021 0.000 1.082 514 I HN 0.105 nan 8.210 nan 0.000 0.432 515 L N -2.390 118.787 121.223 -0.077 0.000 2.463 515 L HA 0.241 4.762 4.340 0.302 0.000 0.219 515 L C 1.329 178.146 176.870 -0.088 0.000 1.088 515 L CA 0.775 55.563 54.840 -0.087 0.000 0.849 515 L CB -0.894 41.100 42.059 -0.109 0.000 1.012 515 L HN -0.043 nan 8.230 nan 0.000 0.468 516 E N 2.922 123.058 120.200 -0.106 0.000 2.148 516 E HA 0.145 4.676 4.350 0.302 0.000 0.308 516 E C -0.526 176.045 176.600 -0.049 0.000 1.278 516 E CA -0.179 56.157 56.400 -0.106 0.000 1.368 516 E CB 0.002 29.575 29.700 -0.211 0.000 1.229 516 E HN 0.414 nan 8.360 nan 0.000 0.494 523 L N -0.936 120.214 121.223 -0.122 0.000 2.455 523 L HA 0.614 5.135 4.340 0.302 0.000 0.264 523 L C -0.890 175.939 176.870 -0.068 0.000 0.968 523 L CA -1.204 53.523 54.840 -0.189 0.000 0.827 523 L CB 1.010 42.988 42.059 -0.135 0.000 1.317 523 L HN 0.282 nan 8.230 nan 0.000 0.407 524 Y N 0.781 121.060 120.300 -0.035 0.000 2.426 524 Y HA 0.025 4.756 4.550 0.302 0.000 0.344 524 Y C 1.610 177.516 175.900 0.010 0.000 1.256 524 Y CA 0.142 58.257 58.100 0.026 0.000 1.451 524 Y CB 0.541 39.092 38.460 0.152 0.000 1.342 524 Y HN 0.832 nan 8.280 nan 0.000 0.600 525 E N 0.932 121.290 120.200 0.263 0.000 2.114 525 E HA -0.309 4.222 4.350 0.302 0.000 0.199 525 E C 1.906 178.595 176.600 0.149 0.000 1.008 525 E CA 2.413 58.904 56.400 0.151 0.000 0.810 525 E CB -0.294 29.474 29.700 0.114 0.000 0.739 525 E HN 0.876 nan 8.360 nan 0.000 0.456 526 H N -1.285 117.838 119.070 0.088 0.000 2.357 526 H HA 0.080 4.817 4.556 0.302 0.000 0.301 526 H C 1.919 177.290 175.328 0.071 0.000 1.082 526 H CA 1.224 57.314 56.048 0.070 0.000 1.342 526 H CB -0.277 29.522 29.762 0.063 0.000 1.389 526 H HN 0.217 nan 8.280 nan 0.000 0.511 527 E N 1.188 121.050 120.200 -0.563 0.000 2.085 527 E HA -0.159 4.372 4.350 0.302 0.000 0.194 527 E C 2.091 178.612 176.600 -0.132 0.000 0.994 527 E CA 1.228 57.398 56.400 -0.382 0.000 0.801 527 E CB -0.018 29.458 29.700 -0.373 0.000 0.743 527 E HN 0.551 nan 8.360 nan 0.000 0.453 528 K N 0.703 121.065 120.400 -0.062 0.000 2.103 528 K HA -0.186 4.315 4.320 0.302 0.000 0.207 528 K C 1.703 178.332 176.600 0.049 0.000 1.048 528 K CA 1.574 57.862 56.287 0.002 0.000 0.930 528 K CB -0.061 32.447 32.500 0.013 0.000 0.716 528 K HN 0.070 nan 8.250 nan 0.000 0.444 529 D N 0.663 121.095 120.400 0.052 0.000 2.117 529 D HA -0.138 4.683 4.640 0.302 0.000 0.197 529 D C 1.685 178.048 176.300 0.105 0.000 0.987 529 D CA 0.656 54.715 54.000 0.098 0.000 0.829 529 D CB -0.116 40.741 40.800 0.095 0.000 0.961 529 D HN -0.013 nan 8.370 nan 0.000 0.460 530 L N 0.669 121.921 121.223 0.048 0.000 2.093 530 L HA -0.073 4.448 4.340 0.302 0.000 0.208 530 L C 2.131 179.012 176.870 0.019 0.000 1.085 530 L CA 1.092 55.948 54.840 0.026 0.000 0.755 530 L CB -0.703 41.350 42.059 -0.010 0.000 0.904 530 L HN -0.077 nan 8.230 nan 0.000 0.435 531 V N -1.210 118.720 119.914 0.026 0.000 2.261 531 V HA -0.331 3.970 4.120 0.302 0.000 0.246 531 V C 2.267 178.409 176.094 0.079 0.000 1.047 531 V CA 2.072 64.390 62.300 0.031 0.000 1.015 531 V CB -1.004 30.842 31.823 0.038 0.000 0.642 531 V HN 0.627 nan 8.190 nan 0.000 0.446 532 W N 1.807 123.077 121.300 -0.049 0.000 2.358 532 W HA -0.283 4.558 4.660 0.302 0.000 0.303 532 W C 2.573 179.063 176.519 -0.049 0.000 1.208 532 W CA 2.344 59.653 57.345 -0.060 0.000 1.274 532 W CB -0.085 29.334 29.460 -0.070 0.000 1.138 532 W HN 0.293 nan 8.180 nan 0.000 0.515 533 K N 0.560 120.941 120.400 -0.032 0.000 2.063 533 K HA -0.197 4.304 4.320 0.302 0.000 0.208 533 K C 1.514 178.033 176.600 -0.134 0.000 1.048 533 K CA 1.812 58.042 56.287 -0.096 0.000 0.928 533 K CB -0.574 31.939 32.500 0.021 0.000 0.713 533 K HN -0.057 nan 8.250 nan 0.000 0.442 534 M N 2.230 121.774 119.600 -0.093 0.000 2.853 534 M HA 0.116 4.777 4.480 0.302 0.000 0.274 534 M C 0.717 176.960 176.300 -0.095 0.000 1.289 534 M CA 0.191 55.459 55.300 -0.053 0.000 1.031 534 M CB 0.047 32.636 32.600 -0.019 0.000 1.352 534 M HN 0.259 nan 8.290 nan 0.000 0.485 535 R N -0.840 119.493 120.500 -0.279 0.000 2.092 535 R HA -0.117 4.404 4.340 0.302 0.000 0.231 535 R C 1.132 177.270 176.300 -0.269 0.000 1.119 535 R CA 1.536 57.437 56.100 -0.332 0.000 0.970 535 R CB -0.768 29.137 30.300 -0.659 0.000 0.864 535 R HN 0.377 nan 8.270 nan 0.000 0.440 536 H N 1.104 120.105 119.070 -0.115 0.000 2.357 536 H HA 0.001 4.738 4.556 0.302 0.000 0.301 536 H C 1.871 177.157 175.328 -0.070 0.000 1.082 536 H CA 1.527 57.514 56.048 -0.103 0.000 1.342 536 H CB 0.050 29.761 29.762 -0.085 0.000 1.389 536 H HN 0.286 nan 8.280 nan 0.000 0.511 537 E N 0.695 120.973 120.200 0.129 0.000 2.204 537 E HA -0.093 4.438 4.350 0.302 0.000 0.194 537 E C 2.399 179.150 176.600 0.253 0.000 0.989 537 E CA 0.606 57.127 56.400 0.201 0.000 0.824 537 E CB -0.346 29.462 29.700 0.179 0.000 0.756 537 E HN 0.336 nan 8.360 nan 0.000 0.477 538 V N 1.604 121.613 119.914 0.159 0.000 2.307 538 V HA -0.245 4.056 4.120 0.302 0.000 0.245 538 V C 2.686 178.780 176.094 0.001 0.000 1.045 538 V CA 1.866 64.300 62.300 0.222 0.000 1.024 538 V CB -0.591 31.352 31.823 0.199 0.000 0.651 538 V HN 0.247 nan 8.190 nan 0.000 0.449 539 Q N -0.051 119.543 119.800 -0.344 0.000 2.096 539 Q HA -0.267 4.254 4.340 0.302 0.000 0.204 539 Q C 2.231 177.830 176.000 -0.668 0.000 0.982 539 Q CA 2.151 57.309 55.803 -1.075 0.000 0.850 539 Q CB -0.043 28.143 28.738 -0.919 0.000 0.901 539 Q HN 0.725 nan 8.270 nan 0.000 0.422 540 E N -1.317 118.669 120.200 -0.357 0.000 2.072 540 E HA -0.148 4.383 4.350 0.302 0.000 0.190 540 E C 1.276 177.532 176.600 -0.573 0.000 0.982 540 E CA 1.109 57.255 56.400 -0.422 0.000 0.803 540 E CB 0.151 29.653 29.700 -0.329 0.000 0.755 540 E HN 0.540 nan 8.360 nan 0.000 0.453 541 H N -2.548 116.400 119.070 -0.204 0.000 3.046 541 H HA 0.200 4.937 4.556 0.302 0.000 0.262 541 H C -0.309 174.581 175.328 -0.730 0.000 1.044 541 H CA 0.039 55.828 56.048 -0.432 0.000 1.209 541 H CB 0.734 30.213 29.762 -0.471 0.000 1.507 541 H HN -0.032 nan 8.280 nan 0.000 0.507 542 F N 0.870 120.833 119.950 0.022 0.000 2.576 542 F HA 0.268 4.976 4.527 0.302 0.000 0.365 542 F C -1.945 173.909 175.800 0.090 0.000 1.506 542 F CA -1.672 56.361 58.000 0.054 0.000 1.113 542 F CB 1.363 40.410 39.000 0.078 0.000 1.293 542 F HN -0.017 nan 8.300 nan 0.000 0.540 543 P HA -0.164 nan 4.420 nan 0.000 0.226 543 P C 0.761 178.396 177.300 0.558 0.000 1.146 543 P CA 1.399 64.637 63.100 0.231 0.000 0.773 543 P CB 0.306 31.950 31.700 -0.093 0.000 0.772 544 E N -0.379 120.017 120.200 0.327 0.000 2.481 544 E HA 0.095 4.626 4.350 0.302 0.000 0.195 544 E C 1.561 178.283 176.600 0.203 0.000 1.047 544 E CA 0.182 56.727 56.400 0.243 0.000 0.867 544 E CB -0.100 29.700 29.700 0.168 0.000 0.858 544 E HN 0.210 nan 8.360 nan 0.000 0.513 545 A N 0.725 123.702 122.820 0.263 0.000 2.337 545 A HA 0.061 4.563 4.320 0.302 0.000 0.227 545 A C 1.700 179.354 177.584 0.118 0.000 1.259 545 A CA -0.166 51.974 52.037 0.170 0.000 0.870 545 A CB -0.194 18.899 19.000 0.155 0.000 0.927 545 A HN 0.197 nan 8.150 nan 0.000 0.497 546 L N 0.008 121.278 121.223 0.078 0.000 2.064 546 L HA -0.259 4.262 4.340 0.302 0.000 0.216 546 L C 2.487 179.186 176.870 -0.285 0.000 1.077 546 L CA 2.606 57.250 54.840 -0.327 0.000 0.766 546 L CB -0.633 40.946 42.059 -0.800 0.000 0.890 546 L HN 0.393 nan 8.230 nan 0.000 0.435 547 A N -0.752 121.941 122.820 -0.210 0.000 1.898 547 A HA -0.238 4.263 4.320 0.302 0.000 0.216 547 A C 2.520 180.162 177.584 0.097 0.000 1.181 547 A CA 1.702 53.652 52.037 -0.145 0.000 0.620 547 A CB -0.627 18.277 19.000 -0.160 0.000 0.819 547 A HN 0.516 nan 8.150 nan 0.000 0.442 548 R N -0.924 119.617 120.500 0.068 0.000 2.120 548 R HA -0.109 4.413 4.340 0.302 0.000 0.234 548 R C 1.977 178.333 176.300 0.092 0.000 1.123 548 R CA 1.490 57.640 56.100 0.084 0.000 0.975 548 R CB -0.326 30.002 30.300 0.047 0.000 0.866 548 R HN 0.469 nan 8.270 nan 0.000 0.446 549 L N 0.526 121.795 121.223 0.077 0.000 2.072 549 L HA -0.041 4.480 4.340 0.302 0.000 0.205 549 L C 1.766 178.719 176.870 0.138 0.000 1.079 549 L CA 1.581 56.484 54.840 0.105 0.000 0.752 549 L CB -0.347 41.763 42.059 0.084 0.000 0.906 549 L HN 0.206 nan 8.230 nan 0.000 0.436 550 L N -1.074 120.229 121.223 0.133 0.000 2.083 550 L HA -0.227 4.294 4.340 0.302 0.000 0.209 550 L C 2.490 179.629 176.870 0.449 0.000 1.083 550 L CA 1.212 56.234 54.840 0.304 0.000 0.752 550 L CB -0.510 41.744 42.059 0.326 0.000 0.899 550 L HN 0.315 nan 8.230 nan 0.000 0.433 551 L N -0.629 120.793 121.223 0.332 0.000 2.093 551 L HA -0.149 4.373 4.340 0.302 0.000 0.208 551 L C 2.480 179.439 176.870 0.148 0.000 1.085 551 L CA 0.957 55.935 54.840 0.230 0.000 0.755 551 L CB -0.515 41.625 42.059 0.135 0.000 0.904 551 L HN 0.238 nan 8.230 nan 0.000 0.435 552 V N -3.818 116.155 119.914 0.098 0.000 2.871 552 V HA -0.039 4.262 4.120 0.302 0.000 0.256 552 V C 1.449 177.460 176.094 -0.139 0.000 1.082 552 V CA 0.698 63.008 62.300 0.017 0.000 1.105 552 V CB -1.298 30.559 31.823 0.058 0.000 0.713 552 V HN 0.487 nan 8.190 nan 0.000 0.473 553 T N 0.972 115.397 114.554 -0.215 0.000 2.930 553 T HA 0.137 4.668 4.350 0.302 0.000 0.306 553 T C 0.159 174.381 174.700 -0.797 0.000 1.045 553 T CA -0.413 61.258 62.100 -0.715 0.000 1.134 553 T CB 0.436 68.815 68.868 -0.815 0.000 0.961 553 T HN 0.420 nan 8.240 nan 0.000 0.545 554 K N 4.180 124.071 120.400 -0.848 0.000 2.220 554 K HA 0.070 4.571 4.320 0.302 0.000 0.283 554 K C 0.164 176.453 176.600 -0.519 0.000 1.098 554 K CA -0.048 55.916 56.287 -0.538 0.000 0.928 554 K CB 0.257 32.480 32.500 -0.461 0.000 1.214 554 K HN 0.815 nan 8.250 nan 0.000 0.442 555 W N 1.336 122.474 121.300 -0.270 0.000 2.825 555 W HA -0.107 4.734 4.660 0.302 0.000 0.243 555 W C 1.332 177.708 176.519 -0.237 0.000 1.293 555 W CA 0.234 57.377 57.345 -0.336 0.000 1.403 555 W CB -0.062 29.048 29.460 -0.583 0.000 1.134 555 W HN 0.541 nan 8.180 nan 0.000 0.666 556 N N 0.237 118.928 118.700 -0.015 0.000 2.279 556 N HA 0.027 4.948 4.740 0.302 0.000 0.226 556 N C -0.448 175.059 175.510 -0.006 0.000 1.126 556 N CA 0.168 53.218 53.050 0.000 0.000 0.846 556 N CB -0.135 38.346 38.487 -0.011 0.000 1.050 556 N HN -0.196 nan 8.380 nan 0.000 0.502 557 K N 1.068 121.441 120.400 -0.045 0.000 2.640 557 K HA 0.094 4.595 4.320 0.302 0.000 0.245 557 K C 0.515 177.105 176.600 -0.016 0.000 0.962 557 K CA -0.488 55.780 56.287 -0.032 0.000 0.896 557 K CB 0.906 33.327 32.500 -0.133 0.000 1.147 557 K HN 0.282 nan 8.250 nan 0.000 0.445 558 H N 2.356 121.435 119.070 0.015 0.000 2.387 558 H HA -0.068 4.669 4.556 0.302 0.000 0.299 558 H C 0.647 175.997 175.328 0.037 0.000 1.099 558 H CA 1.537 57.617 56.048 0.053 0.000 1.315 558 H CB 0.383 30.194 29.762 0.081 0.000 1.380 558 H HN 0.563 nan 8.280 nan 0.000 0.513 559 E N 0.838 120.648 120.200 -0.650 0.000 2.038 559 E HA -0.171 4.360 4.350 0.302 0.000 0.195 559 E C 1.848 178.359 176.600 -0.148 0.000 1.000 559 E CA 1.640 57.794 56.400 -0.409 0.000 0.803 559 E CB -0.034 29.468 29.700 -0.328 0.000 0.750 559 E HN 0.590 nan 8.360 nan 0.000 0.448 560 D N 0.197 120.508 120.400 -0.150 0.000 2.144 560 D HA -0.115 4.706 4.640 0.302 0.000 0.200 560 D C 2.015 178.251 176.300 -0.107 0.000 0.978 560 D CA 0.623 54.554 54.000 -0.114 0.000 0.833 560 D CB -0.159 40.366 40.800 -0.458 0.000 0.961 560 D HN -0.003 nan 8.370 nan 0.000 0.470 561 V N 1.044 120.847 119.914 -0.186 0.000 2.358 561 V HA -0.216 4.085 4.120 0.302 0.000 0.246 561 V C 2.444 178.548 176.094 0.016 0.000 1.047 561 V CA 1.647 63.853 62.300 -0.157 0.000 1.035 561 V CB -0.840 30.970 31.823 -0.020 0.000 0.658 561 V HN 0.216 nan 8.190 nan 0.000 0.452 562 A N -0.483 122.362 122.820 0.042 0.000 1.865 562 A HA -0.334 4.167 4.320 0.302 0.000 0.217 562 A C 2.190 179.821 177.584 0.079 0.000 1.191 562 A CA 2.269 54.341 52.037 0.059 0.000 0.623 562 A CB -0.566 18.442 19.000 0.013 0.000 0.826 562 A HN 0.616 nan 8.150 nan 0.000 0.444 563 Q N -1.956 117.897 119.800 0.089 0.000 2.084 563 Q HA -0.192 4.329 4.340 0.302 0.000 0.202 563 Q C 2.147 178.232 176.000 0.141 0.000 0.978 563 Q CA 1.672 57.551 55.803 0.127 0.000 0.844 563 Q CB -0.287 28.530 28.738 0.132 0.000 0.898 563 Q HN 0.664 nan 8.270 nan 0.000 0.426 564 M N 0.465 120.163 119.600 0.164 0.000 2.067 564 M HA -0.140 4.521 4.480 0.302 0.000 0.260 564 M C 1.618 177.949 176.300 0.052 0.000 1.069 564 M CA 1.551 56.912 55.300 0.102 0.000 1.117 564 M CB -0.429 32.185 32.600 0.022 0.000 1.334 564 M HN 0.139 nan 8.290 nan 0.000 0.407 565 L N -0.610 120.650 121.223 0.061 0.000 2.013 565 L HA -0.226 4.295 4.340 0.302 0.000 0.212 565 L C 2.437 179.325 176.870 0.031 0.000 1.073 565 L CA 1.980 56.839 54.840 0.031 0.000 0.753 565 L CB -1.946 40.118 42.059 0.008 0.000 0.890 565 L HN 0.496 nan 8.230 nan 0.000 0.432 566 Y N -0.138 120.144 120.300 -0.031 0.000 2.151 566 Y HA -0.289 4.442 4.550 0.302 0.000 0.284 566 Y C 2.350 178.260 175.900 0.018 0.000 1.166 566 Y CA 1.677 59.766 58.100 -0.019 0.000 1.163 566 Y CB -0.393 38.059 38.460 -0.012 0.000 0.974 566 Y HN 0.120 nan 8.280 nan 0.000 0.511 567 L N -0.943 120.245 121.223 -0.057 0.000 2.093 567 L HA -0.195 4.326 4.340 0.302 0.000 0.208 567 L C 2.377 179.310 176.870 0.105 0.000 1.085 567 L CA 1.003 55.820 54.840 -0.038 0.000 0.755 567 L CB -0.666 41.460 42.059 0.111 0.000 0.904 567 L HN 0.298 nan 8.230 nan 0.000 0.435 568 L N -0.928 120.319 121.223 0.039 0.000 2.201 568 L HA -0.197 4.324 4.340 0.302 0.000 0.212 568 L C 2.384 179.270 176.870 0.026 0.000 1.105 568 L CA 1.516 56.323 54.840 -0.054 0.000 0.775 568 L CB -0.519 41.433 42.059 -0.179 0.000 0.913 568 L HN 0.251 nan 8.230 nan 0.000 0.440 569 C N -0.810 118.480 119.300 -0.016 0.000 2.432 569 C HA -0.044 4.597 4.460 0.302 0.000 0.280 569 C C 2.673 177.675 174.990 0.020 0.000 1.353 569 C CA 1.055 60.073 59.018 -0.001 0.000 1.766 569 C CB -1.078 26.621 27.740 -0.069 0.000 1.924 569 C HN 0.783 nan 8.230 nan 0.000 0.509 570 S N -2.391 113.289 115.700 -0.033 0.000 2.540 570 S HA 0.068 4.719 4.470 0.302 0.000 0.218 570 S C 0.249 174.873 174.600 0.040 0.000 0.977 570 S CA -0.387 57.788 58.200 -0.042 0.000 0.918 570 S CB -0.283 62.811 63.200 -0.177 0.000 0.806 570 S HN 0.648 nan 8.310 nan 0.000 0.496 571 W N 4.891 126.169 121.300 -0.037 0.000 2.210 571 W HA 0.257 5.098 4.660 0.302 0.000 0.330 571 W C -2.645 173.969 176.519 0.159 0.000 1.334 571 W CA -1.663 55.684 57.345 0.004 0.000 1.227 571 W CB 0.542 29.909 29.460 -0.156 0.000 1.178 571 W HN 0.135 nan 8.180 nan 0.000 0.560 572 P HA 0.023 nan 4.420 nan 0.000 0.271 572 P C -0.541 176.995 177.300 0.394 0.000 1.218 572 P CA 0.311 63.520 63.100 0.181 0.000 0.780 572 P CB 0.733 32.435 31.700 0.004 0.000 0.901 573 E N 1.114 121.414 120.200 0.166 0.000 2.467 573 E HA 0.043 4.574 4.350 0.302 0.000 0.264 573 E C -0.058 176.602 176.600 0.098 0.000 1.020 573 E CA 0.236 56.637 56.400 0.002 0.000 0.945 573 E CB 0.199 29.837 29.700 -0.103 0.000 0.942 573 E HN 0.373 nan 8.360 nan 0.000 0.449 574 L N 3.458 124.713 121.223 0.054 0.000 2.334 574 L HA 0.431 4.952 4.340 0.302 0.000 0.270 574 L C -2.171 174.712 176.870 0.022 0.000 1.018 574 L CA -2.471 52.435 54.840 0.110 0.000 0.811 574 L CB 1.138 43.312 42.059 0.192 0.000 1.271 574 L HN 0.269 nan 8.230 nan 0.000 0.443 575 P HA 0.000 nan 4.420 nan 0.000 0.270 575 P C 0.895 178.193 177.300 -0.002 0.000 1.223 575 P CA -0.270 62.841 63.100 0.019 0.000 0.785 575 P CB 0.686 32.408 31.700 0.036 0.000 0.923 576 V N 1.811 121.726 119.914 0.002 0.000 2.324 576 V HA -0.256 4.045 4.120 0.302 0.000 0.250 576 V C 2.258 178.326 176.094 -0.043 0.000 1.060 576 V CA 1.905 64.200 62.300 -0.009 0.000 1.042 576 V CB -1.086 30.768 31.823 0.052 0.000 0.650 576 V HN 0.527 nan 8.190 nan 0.000 0.450 577 L N 0.052 121.269 121.223 -0.010 0.000 2.013 577 L HA -0.206 4.315 4.340 0.302 0.000 0.212 577 L C 2.519 179.355 176.870 -0.057 0.000 1.073 577 L CA 2.512 57.356 54.840 0.006 0.000 0.753 577 L CB -0.704 41.400 42.059 0.075 0.000 0.890 577 L HN 0.318 nan 8.230 nan 0.000 0.432 578 S N -0.500 115.169 115.700 -0.053 0.000 2.355 578 S HA -0.107 4.544 4.470 0.302 0.000 0.222 578 S C 2.098 176.599 174.600 -0.166 0.000 1.031 578 S CA 0.993 59.130 58.200 -0.106 0.000 0.993 578 S CB -0.642 62.548 63.200 -0.017 0.000 0.859 578 S HN 0.673 nan 8.310 nan 0.000 0.453 579 A N 1.654 124.404 122.820 -0.117 0.000 1.917 579 A HA -0.101 4.400 4.320 0.302 0.000 0.219 579 A C 2.083 179.566 177.584 -0.168 0.000 1.182 579 A CA 1.354 53.311 52.037 -0.134 0.000 0.633 579 A CB -0.871 18.050 19.000 -0.131 0.000 0.819 579 A HN 0.471 nan 8.150 nan 0.000 0.448 580 L N -0.933 120.176 121.223 -0.190 0.000 2.191 580 L HA -0.202 4.319 4.340 0.302 0.000 0.212 580 L C 2.609 179.341 176.870 -0.229 0.000 1.103 580 L CA 1.724 56.445 54.840 -0.198 0.000 0.769 580 L CB -0.412 41.509 42.059 -0.231 0.000 0.908 580 L HN 0.662 nan 8.230 nan 0.000 0.438 581 E N 0.793 120.746 120.200 -0.412 0.000 2.072 581 E HA -0.184 4.347 4.350 0.302 0.000 0.190 581 E C 2.244 178.733 176.600 -0.184 0.000 0.982 581 E CA 0.757 56.900 56.400 -0.427 0.000 0.803 581 E CB -0.011 29.296 29.700 -0.655 0.000 0.755 581 E HN 0.477 nan 8.360 nan 0.000 0.453 582 L N 0.870 121.899 121.223 -0.323 0.000 2.456 582 L HA -0.085 4.436 4.340 0.302 0.000 0.224 582 L C 2.025 178.855 176.870 -0.066 0.000 1.148 582 L CA 0.368 54.926 54.840 -0.470 0.000 0.825 582 L CB -0.106 41.704 42.059 -0.415 0.000 0.937 582 L HN 0.247 nan 8.230 nan 0.000 0.450 583 L N -0.935 120.292 121.223 0.006 0.000 2.558 583 L HA 0.032 4.553 4.340 0.302 0.000 0.225 583 L C 0.709 177.671 176.870 0.154 0.000 1.128 583 L CA -0.199 54.688 54.840 0.078 0.000 0.868 583 L CB -0.356 41.729 42.059 0.044 0.000 1.006 583 L HN 0.201 nan 8.230 nan 0.000 0.454 584 D N -0.489 120.030 120.400 0.199 0.000 2.400 584 D HA -0.165 4.656 4.640 0.302 0.000 0.238 584 D C 0.974 177.230 176.300 -0.073 0.000 1.157 584 D CA -0.002 54.067 54.000 0.115 0.000 0.889 584 D CB 0.657 41.543 40.800 0.144 0.000 1.199 584 D HN 0.034 nan 8.370 nan 0.000 0.436 585 F N 1.842 121.469 119.950 -0.537 0.000 2.408 585 F HA -0.103 4.605 4.527 0.302 0.000 0.300 585 F C 2.101 177.557 175.800 -0.574 0.000 1.090 585 F CA 0.936 58.480 58.000 -0.760 0.000 1.427 585 F CB -0.282 38.008 39.000 -1.183 0.000 1.070 585 F HN 0.299 nan 8.300 nan 0.000 0.549 586 S N -0.270 114.972 115.700 -0.764 0.000 2.469 586 S HA -0.129 4.522 4.470 0.302 0.000 0.238 586 S C 0.305 174.170 174.600 -1.225 0.000 0.998 586 S CA 0.591 58.165 58.200 -1.045 0.000 0.957 586 S CB -0.686 61.822 63.200 -1.154 0.000 0.764 586 S HN 0.283 nan 8.310 nan 0.000 0.514 587 F N 1.395 121.092 119.950 -0.421 0.000 2.371 587 F HA 0.384 5.092 4.527 0.302 0.000 0.343 587 F C -2.068 173.480 175.800 -0.420 0.000 1.150 587 F CA -2.469 55.304 58.000 -0.378 0.000 1.220 587 F CB 0.927 39.793 39.000 -0.223 0.000 1.475 587 F HN -0.048 nan 8.300 nan 0.000 0.521 588 P HA -0.021 nan 4.420 nan 0.000 0.245 588 P C 0.062 177.143 177.300 -0.364 0.000 1.203 588 P CA 0.362 63.161 63.100 -0.501 0.000 0.792 588 P CB 0.213 31.420 31.700 -0.821 0.000 0.997 589 D N 0.224 120.423 120.400 -0.335 0.000 2.417 589 D HA -0.018 4.803 4.640 0.302 0.000 0.250 589 D C 1.228 177.486 176.300 -0.070 0.000 1.166 589 D CA -0.178 53.733 54.000 -0.149 0.000 0.881 589 D CB 0.567 41.346 40.800 -0.034 0.000 1.164 589 D HN 0.133 nan 8.370 nan 0.000 0.467 590 C N 3.199 122.429 119.300 -0.118 0.000 2.522 590 C HA 0.079 4.720 4.460 0.302 0.000 0.271 590 C C 1.848 176.738 174.990 -0.167 0.000 1.425 590 C CA -0.368 58.560 59.018 -0.151 0.000 1.751 590 C CB -1.757 25.862 27.740 -0.202 0.000 1.775 590 C HN 0.668 nan 8.230 nan 0.000 0.557 591 Y N 1.405 121.723 120.300 0.029 0.000 2.365 591 Y HA 0.054 4.786 4.550 0.302 0.000 0.293 591 Y C 2.692 178.632 175.900 0.068 0.000 1.119 591 Y CA 1.218 59.352 58.100 0.057 0.000 1.203 591 Y CB -0.545 37.959 38.460 0.073 0.000 1.026 591 Y HN 0.191 nan 8.280 nan 0.000 0.549 592 V N -0.655 119.364 119.914 0.175 0.000 2.358 592 V HA -0.207 4.094 4.120 0.302 0.000 0.246 592 V C 2.510 178.654 176.094 0.083 0.000 1.047 592 V CA 1.903 64.247 62.300 0.073 0.000 1.035 592 V CB -1.394 30.440 31.823 0.018 0.000 0.658 592 V HN 0.498 nan 8.190 nan 0.000 0.452 593 G N -0.584 108.242 108.800 0.043 0.000 2.433 593 G HA2 -0.334 3.807 3.960 0.302 0.000 0.216 593 G HA3 -0.334 3.807 3.960 0.302 0.000 0.216 593 G C 1.925 176.836 174.900 0.018 0.000 1.186 593 G CA 1.351 46.462 45.100 0.017 0.000 0.779 593 G HN 0.499 nan 8.290 nan 0.000 0.543 594 S N -0.058 115.661 115.700 0.031 0.000 2.380 594 S HA -0.231 4.420 4.470 0.302 0.000 0.229 594 S C 2.123 176.755 174.600 0.054 0.000 1.043 594 S CA 1.906 60.127 58.200 0.035 0.000 1.038 594 S CB -0.481 62.758 63.200 0.066 0.000 0.872 594 S HN 0.382 nan 8.310 nan 0.000 0.456 595 F N 2.012 121.947 119.950 -0.025 0.000 2.134 595 F HA 0.040 4.748 4.527 0.302 0.000 0.299 595 F C 2.328 178.068 175.800 -0.099 0.000 1.097 595 F CA 1.327 59.297 58.000 -0.050 0.000 1.264 595 F CB -0.822 38.138 39.000 -0.066 0.000 1.001 595 F HN 0.303 nan 8.300 nan 0.000 0.479 596 A N 0.779 123.616 122.820 0.029 0.000 1.873 596 A HA -0.118 4.383 4.320 0.302 0.000 0.215 596 A C 2.173 179.620 177.584 -0.228 0.000 1.186 596 A CA 1.657 53.638 52.037 -0.094 0.000 0.616 596 A CB -0.965 18.003 19.000 -0.053 0.000 0.823 596 A HN 0.382 nan 8.150 nan 0.000 0.442 597 I N 0.165 120.599 120.570 -0.227 0.000 2.163 597 I HA -0.245 4.106 4.170 0.302 0.000 0.243 597 I C 2.362 178.242 176.117 -0.395 0.000 1.085 597 I CA 2.001 63.073 61.300 -0.380 0.000 1.347 597 I CB -1.277 36.540 38.000 -0.306 0.000 1.044 597 I HN 0.436 nan 8.210 nan 0.000 0.408 598 K N 0.869 121.091 120.400 -0.296 0.000 2.044 598 K HA -0.175 4.326 4.320 0.302 0.000 0.210 598 K C 2.269 178.675 176.600 -0.323 0.000 1.049 598 K CA 1.982 58.101 56.287 -0.279 0.000 0.927 598 K CB -0.014 32.325 32.500 -0.269 0.000 0.713 598 K HN 0.100 nan 8.250 nan 0.000 0.443 599 S N 0.591 116.029 115.700 -0.437 0.000 2.447 599 S HA -0.016 4.635 4.470 0.302 0.000 0.233 599 S C 1.613 176.079 174.600 -0.223 0.000 1.006 599 S CA 0.702 58.690 58.200 -0.354 0.000 0.957 599 S CB -0.029 62.921 63.200 -0.417 0.000 0.773 599 S HN 0.256 nan 8.310 nan 0.000 0.507 600 L N 0.511 121.575 121.223 -0.265 0.000 2.375 600 L HA 0.131 4.652 4.340 0.302 0.000 0.215 600 L C 2.308 179.079 176.870 -0.166 0.000 1.108 600 L CA 0.404 55.108 54.840 -0.225 0.000 0.830 600 L CB -0.188 41.660 42.059 -0.353 0.000 0.959 600 L HN 0.149 nan 8.230 nan 0.000 0.457 601 R N 0.959 121.336 120.500 -0.206 0.000 2.211 601 R HA -0.205 4.316 4.340 0.302 0.000 0.240 601 R C 1.870 178.241 176.300 0.118 0.000 1.144 601 R CA 1.464 57.583 56.100 0.031 0.000 0.992 601 R CB -0.318 29.997 30.300 0.025 0.000 0.869 601 R HN 0.471 nan 8.270 nan 0.000 0.462 602 K N 0.609 121.034 120.400 0.041 0.000 2.487 602 K HA 0.045 4.546 4.320 0.302 0.000 0.192 602 K C 0.343 176.990 176.600 0.077 0.000 1.027 602 K CA 0.162 56.480 56.287 0.051 0.000 1.054 602 K CB 0.006 32.516 32.500 0.016 0.000 0.824 602 K HN 0.056 nan 8.250 nan 0.000 0.510 603 L N 3.461 124.753 121.223 0.116 0.000 2.559 603 L HA -0.052 4.469 4.340 0.302 0.000 0.282 603 L C 0.904 177.839 176.870 0.108 0.000 1.232 603 L CA 0.107 55.028 54.840 0.135 0.000 0.885 603 L CB 0.274 42.462 42.059 0.214 0.000 1.131 603 L HN 0.355 nan 8.230 nan 0.000 0.498 604 T N -1.721 112.872 114.554 0.064 0.000 2.828 604 T HA 0.074 4.605 4.350 0.302 0.000 0.290 604 T C 0.804 175.525 174.700 0.035 0.000 1.019 604 T CA -0.848 61.276 62.100 0.040 0.000 1.031 604 T CB 1.052 69.927 68.868 0.012 0.000 1.001 604 T HN 0.527 nan 8.240 nan 0.000 0.531 605 D N 0.689 121.105 120.400 0.026 0.000 2.123 605 D HA -0.089 4.732 4.640 0.302 0.000 0.196 605 D C 1.690 178.005 176.300 0.026 0.000 0.992 605 D CA 1.218 55.231 54.000 0.022 0.000 0.833 605 D CB -0.237 40.563 40.800 -0.000 0.000 0.954 605 D HN 0.623 nan 8.370 nan 0.000 0.455 606 D N 0.636 121.035 120.400 -0.003 0.000 2.117 606 D HA -0.122 4.699 4.640 0.302 0.000 0.197 606 D C 1.956 178.210 176.300 -0.077 0.000 0.987 606 D CA 0.736 54.734 54.000 -0.004 0.000 0.829 606 D CB -0.179 40.597 40.800 -0.040 0.000 0.961 606 D HN 0.388 nan 8.370 nan 0.000 0.460 607 E N -0.031 120.087 120.200 -0.136 0.000 2.031 607 E HA -0.151 4.380 4.350 0.302 0.000 0.193 607 E C 2.107 178.462 176.600 -0.408 0.000 0.994 607 E CA 0.307 56.507 56.400 -0.334 0.000 0.800 607 E CB -0.118 29.488 29.700 -0.157 0.000 0.752 607 E HN 0.076 nan 8.360 nan 0.000 0.447 608 L N 0.838 122.010 121.223 -0.084 0.000 2.012 608 L HA -0.200 4.321 4.340 0.302 0.000 0.210 608 L C 2.113 179.002 176.870 0.032 0.000 1.073 608 L CA 1.648 56.514 54.840 0.044 0.000 0.748 608 L CB -0.784 41.344 42.059 0.115 0.000 0.891 608 L HN 0.088 nan 8.230 nan 0.000 0.431 609 F N 0.485 120.358 119.950 -0.128 0.000 2.095 609 F HA -0.285 4.423 4.527 0.301 0.000 0.298 609 F C 2.637 178.316 175.800 -0.201 0.000 1.104 609 F CA 2.096 60.018 58.000 -0.130 0.000 1.232 609 F CB -0.759 38.160 39.000 -0.133 0.000 0.987 609 F HN 0.313 nan 8.300 nan 0.000 0.475 610 Q N -0.581 118.956 119.800 -0.438 0.000 2.181 610 Q HA -0.217 4.304 4.340 0.302 0.000 0.205 610 Q C 1.168 176.902 176.000 -0.444 0.000 0.980 610 Q CA 1.935 57.376 55.803 -0.602 0.000 0.862 610 Q CB -0.539 27.778 28.738 -0.701 0.000 0.905 610 Q HN 0.578 nan 8.270 nan 0.000 0.429 611 Y N -1.499 118.691 120.300 -0.185 0.000 2.467 611 Y HA 0.190 4.921 4.550 0.302 0.000 0.250 611 Y C 1.197 177.022 175.900 -0.125 0.000 1.155 611 Y CA -0.629 57.380 58.100 -0.150 0.000 1.249 611 Y CB -0.371 38.040 38.460 -0.081 0.000 1.146 611 Y HN 0.069 nan 8.280 nan 0.000 0.524 612 L N 0.479 121.690 121.223 -0.020 0.000 2.013 612 L HA -0.233 4.288 4.340 0.302 0.000 0.212 612 L C 2.234 179.062 176.870 -0.071 0.000 1.073 612 L CA 1.610 56.469 54.840 0.031 0.000 0.753 612 L CB -0.829 41.311 42.059 0.135 0.000 0.890 612 L HN 0.298 nan 8.230 nan 0.000 0.432 613 L N -0.725 120.362 121.223 -0.226 0.000 2.043 613 L HA -0.270 4.251 4.340 0.302 0.000 0.212 613 L C 2.405 179.126 176.870 -0.248 0.000 1.075 613 L CA 1.921 56.506 54.840 -0.425 0.000 0.752 613 L CB -0.823 40.995 42.059 -0.403 0.000 0.891 613 L HN 0.396 nan 8.230 nan 0.000 0.432 614 Q N -0.739 118.973 119.800 -0.148 0.000 2.083 614 Q HA -0.046 4.475 4.340 0.302 0.000 0.198 614 Q C 2.219 178.185 176.000 -0.057 0.000 0.969 614 Q CA 1.716 57.455 55.803 -0.106 0.000 0.838 614 Q CB -0.375 28.309 28.738 -0.090 0.000 0.900 614 Q HN 0.524 nan 8.270 nan 0.000 0.436 615 L N -0.515 120.703 121.223 -0.009 0.000 2.079 615 L HA -0.177 4.344 4.340 0.302 0.000 0.210 615 L C 2.102 178.974 176.870 0.004 0.000 1.081 615 L CA 0.689 55.551 54.840 0.036 0.000 0.752 615 L CB -0.583 41.540 42.059 0.107 0.000 0.896 615 L HN 0.109 nan 8.230 nan 0.000 0.433 616 V N -0.660 119.225 119.914 -0.048 0.000 2.343 616 V HA -0.264 4.037 4.120 0.302 0.000 0.247 616 V C 2.594 178.662 176.094 -0.044 0.000 1.051 616 V CA 1.499 63.748 62.300 -0.085 0.000 1.036 616 V CB -0.507 31.228 31.823 -0.146 0.000 0.654 616 V HN 0.471 nan 8.190 nan 0.000 0.451 617 Q N -0.291 119.457 119.800 -0.087 0.000 2.124 617 Q HA -0.116 4.405 4.340 0.302 0.000 0.202 617 Q C 2.360 178.212 176.000 -0.245 0.000 0.977 617 Q CA 1.365 57.081 55.803 -0.145 0.000 0.850 617 Q CB -0.851 27.773 28.738 -0.191 0.000 0.901 617 Q HN 0.551 nan 8.270 nan 0.000 0.429 618 V N 1.376 121.206 119.914 -0.141 0.000 2.568 618 V HA -0.230 4.071 4.120 0.302 0.000 0.253 618 V C 2.345 178.443 176.094 0.006 0.000 1.072 618 V CA 1.106 63.380 62.300 -0.043 0.000 1.084 618 V CB -0.658 31.233 31.823 0.113 0.000 0.676 618 V HN 0.271 nan 8.190 nan 0.000 0.469 619 L N -0.392 120.843 121.223 0.021 0.000 2.127 619 L HA -0.239 4.282 4.340 0.302 0.000 0.211 619 L C 2.456 179.359 176.870 0.055 0.000 1.089 619 L CA 1.695 56.586 54.840 0.084 0.000 0.757 619 L CB -0.599 41.541 42.059 0.136 0.000 0.899 619 L HN 0.303 nan 8.230 nan 0.000 0.434 620 K N -1.178 119.187 120.400 -0.059 0.000 2.362 620 K HA -0.151 4.350 4.320 0.302 0.000 0.200 620 K C 1.645 178.147 176.600 -0.165 0.000 1.046 620 K CA 0.980 57.159 56.287 -0.181 0.000 0.952 620 K CB -0.067 32.243 32.500 -0.317 0.000 0.753 620 K HN 0.207 nan 8.250 nan 0.000 0.466 621 Y N 1.627 121.871 120.300 -0.093 0.000 2.544 621 Y HA 0.064 4.795 4.550 0.302 0.000 0.286 621 Y C 0.525 176.401 175.900 -0.041 0.000 1.141 621 Y CA -0.092 57.937 58.100 -0.118 0.000 1.299 621 Y CB -0.022 38.429 38.460 -0.016 0.000 1.030 621 Y HN -0.074 nan 8.280 nan 0.000 0.543 622 E N -0.005 120.266 120.200 0.118 0.000 2.384 622 E HA 0.036 4.567 4.350 0.302 0.000 0.266 622 E C 0.921 177.506 176.600 -0.026 0.000 1.012 622 E CA 0.131 56.574 56.400 0.072 0.000 0.901 622 E CB 1.321 31.069 29.700 0.080 0.000 0.967 622 E HN 0.105 nan 8.360 nan 0.000 0.435 623 S N 2.013 117.650 115.700 -0.105 0.000 2.461 623 S HA -0.019 4.632 4.470 0.302 0.000 0.228 623 S C -0.046 174.122 174.600 -0.720 0.000 1.005 623 S CA 0.854 58.806 58.200 -0.413 0.000 0.942 623 S CB 0.020 62.908 63.200 -0.520 0.000 0.776 623 S HN 0.386 nan 8.310 nan 0.000 0.514 624 Y N -1.220 119.108 120.300 0.046 0.000 2.638 624 Y HA 0.457 5.188 4.550 0.302 0.000 0.339 624 Y C 0.824 176.734 175.900 0.017 0.000 1.084 624 Y CA -1.085 57.040 58.100 0.042 0.000 1.068 624 Y CB 0.736 39.249 38.460 0.089 0.000 1.294 624 Y HN -0.222 nan 8.280 nan 0.000 0.480 625 L N -0.123 121.187 121.223 0.145 0.000 2.023 625 L HA -0.032 4.489 4.340 0.302 0.000 0.205 625 L C 0.287 177.315 176.870 0.262 0.000 1.073 625 L CA 1.193 56.030 54.840 -0.004 0.000 0.745 625 L CB -0.058 41.839 42.059 -0.269 0.000 0.900 625 L HN 0.567 nan 8.230 nan 0.000 0.435 626 D N 0.380 121.000 120.400 0.367 0.000 2.336 626 D HA 0.274 5.095 4.640 0.302 0.000 0.249 626 D C -0.619 175.798 176.300 0.194 0.000 1.213 626 D CA -0.155 54.044 54.000 0.330 0.000 0.870 626 D CB 0.666 41.596 40.800 0.217 0.000 1.076 626 D HN 0.275 nan 8.370 nan 0.000 0.483 627 C N 2.420 121.811 119.300 0.152 0.000 3.288 627 C HA 0.470 5.111 4.460 0.302 0.000 0.318 627 C C 1.276 176.299 174.990 0.055 0.000 1.356 627 C CA -0.762 58.316 59.018 0.101 0.000 1.359 627 C CB 1.595 29.414 27.740 0.133 0.000 1.688 627 C HN 0.520 nan 8.230 nan 0.000 0.467 628 E N 0.216 120.433 120.200 0.029 0.000 2.110 628 E HA -0.163 4.368 4.350 0.302 0.000 0.193 628 E C 1.755 178.396 176.600 0.069 0.000 0.988 628 E CA 1.232 57.640 56.400 0.014 0.000 0.804 628 E CB -0.167 29.526 29.700 -0.011 0.000 0.745 628 E HN 0.739 nan 8.360 nan 0.000 0.458 629 L N 1.200 122.474 121.223 0.085 0.000 2.131 629 L HA -0.131 4.390 4.340 0.302 0.000 0.210 629 L C 2.117 179.096 176.870 0.182 0.000 1.092 629 L CA 1.744 56.673 54.840 0.148 0.000 0.759 629 L CB -0.708 41.422 42.059 0.118 0.000 0.903 629 L HN 0.017 nan 8.230 nan 0.000 0.435 630 T N -0.841 113.794 114.554 0.134 0.000 2.770 630 T HA -0.193 4.338 4.350 0.302 0.000 0.263 630 T C 1.857 176.601 174.700 0.073 0.000 1.039 630 T CA 1.622 63.801 62.100 0.131 0.000 1.142 630 T CB -0.128 68.865 68.868 0.208 0.000 0.868 630 T HN 0.265 nan 8.240 nan 0.000 0.435 631 K N 0.571 120.962 120.400 -0.014 0.000 2.057 631 K HA -0.082 4.419 4.320 0.302 0.000 0.207 631 K C 1.946 178.543 176.600 -0.005 0.000 1.049 631 K CA 1.211 57.383 56.287 -0.191 0.000 0.931 631 K CB -0.448 31.835 32.500 -0.362 0.000 0.714 631 K HN 0.291 nan 8.250 nan 0.000 0.440 632 F N 1.044 120.974 119.950 -0.035 0.000 2.075 632 F HA -0.101 4.608 4.527 0.302 0.000 0.297 632 F C 1.550 177.398 175.800 0.080 0.000 1.113 632 F CA 1.463 59.482 58.000 0.032 0.000 1.218 632 F CB -0.302 38.710 39.000 0.020 0.000 0.984 632 F HN -0.028 nan 8.300 nan 0.000 0.472 633 L N -0.485 120.733 121.223 -0.008 0.000 2.046 633 L HA -0.237 4.284 4.340 0.302 0.000 0.208 633 L C 2.428 179.276 176.870 -0.037 0.000 1.077 633 L CA 0.691 55.477 54.840 -0.089 0.000 0.747 633 L CB -0.782 41.306 42.059 0.049 0.000 0.896 633 L HN 0.237 nan 8.230 nan 0.000 0.432 634 L N 0.046 121.310 121.223 0.068 0.000 2.056 634 L HA -0.082 4.440 4.340 0.302 0.000 0.207 634 L C 2.531 179.539 176.870 0.230 0.000 1.078 634 L CA 2.045 56.994 54.840 0.181 0.000 0.749 634 L CB -1.565 40.628 42.059 0.223 0.000 0.901 634 L HN 0.190 nan 8.230 nan 0.000 0.433 635 G N -1.043 107.914 108.800 0.263 0.000 2.418 635 G HA2 -0.237 3.904 3.960 0.302 0.000 0.217 635 G HA3 -0.237 3.904 3.960 0.302 0.000 0.217 635 G C 1.718 176.641 174.900 0.038 0.000 1.158 635 G CA 0.311 45.551 45.100 0.234 0.000 0.771 635 G HN 0.231 nan 8.290 nan 0.000 0.545 636 R N 0.599 121.031 120.500 -0.113 0.000 2.119 636 R HA 0.154 4.675 4.340 0.302 0.000 0.222 636 R C 2.864 179.159 176.300 -0.008 0.000 1.088 636 R CA 1.033 57.049 56.100 -0.140 0.000 0.984 636 R CB -0.877 29.195 30.300 -0.381 0.000 0.884 636 R HN 0.349 nan 8.270 nan 0.000 0.447 637 A N 0.997 123.843 122.820 0.044 0.000 1.969 637 A HA -0.047 4.454 4.320 0.302 0.000 0.218 637 A C 2.190 179.964 177.584 0.317 0.000 1.169 637 A CA 0.947 53.076 52.037 0.152 0.000 0.635 637 A CB -0.339 18.730 19.000 0.115 0.000 0.810 637 A HN 0.173 nan 8.150 nan 0.000 0.445 638 L N -1.471 119.907 121.223 0.258 0.000 2.375 638 L HA 0.041 4.562 4.340 0.302 0.000 0.215 638 L C 2.699 179.672 176.870 0.171 0.000 1.108 638 L CA 0.664 55.631 54.840 0.212 0.000 0.830 638 L CB -0.159 41.935 42.059 0.058 0.000 0.959 638 L HN 0.403 nan 8.230 nan 0.000 0.457 639 A N -0.874 122.030 122.820 0.140 0.000 2.132 639 A HA -0.000 4.501 4.320 0.302 0.000 0.213 639 A C 0.826 178.549 177.584 0.232 0.000 1.154 639 A CA 0.442 52.564 52.037 0.141 0.000 0.753 639 A CB -0.079 18.960 19.000 0.064 0.000 0.826 639 A HN 0.352 nan 8.150 nan 0.000 0.469 640 N N -0.580 118.218 118.700 0.162 0.000 2.480 640 N HA 0.193 5.114 4.740 0.302 0.000 0.289 640 N C 0.277 175.702 175.510 -0.142 0.000 1.073 640 N CA -0.421 52.607 53.050 -0.037 0.000 0.885 640 N CB 1.296 39.756 38.487 -0.044 0.000 1.421 640 N HN 0.220 nan 8.380 nan 0.000 0.503 641 R N 2.718 122.878 120.500 -0.568 0.000 2.096 641 R HA -0.099 4.422 4.340 0.302 0.000 0.235 641 R C 1.678 177.865 176.300 -0.189 0.000 1.127 641 R CA 1.450 57.253 56.100 -0.495 0.000 0.968 641 R CB 0.210 29.899 30.300 -1.018 0.000 0.861 641 R HN 0.561 nan 8.270 nan 0.000 0.440 642 K N 0.487 120.759 120.400 -0.214 0.000 2.009 642 K HA -0.151 4.350 4.320 0.302 0.000 0.210 642 K C 1.957 178.618 176.600 0.101 0.000 1.049 642 K CA 1.616 57.853 56.287 -0.084 0.000 0.929 642 K CB -0.090 32.292 32.500 -0.196 0.000 0.714 642 K HN 0.055 nan 8.250 nan 0.000 0.440 643 I N 1.313 121.911 120.570 0.047 0.000 2.151 643 I HA -0.205 4.146 4.170 0.302 0.000 0.243 643 I C 2.514 178.724 176.117 0.156 0.000 1.080 643 I CA 1.897 63.291 61.300 0.156 0.000 1.339 643 I CB -1.904 36.150 38.000 0.089 0.000 1.039 643 I HN 0.471 nan 8.210 nan 0.000 0.409 644 G N -0.266 108.606 108.800 0.119 0.000 2.446 644 G HA2 -0.343 3.798 3.960 0.302 0.000 0.217 644 G HA3 -0.343 3.798 3.960 0.302 0.000 0.217 644 G C 1.641 176.507 174.900 -0.057 0.000 1.168 644 G CA 1.404 46.511 45.100 0.012 0.000 0.771 644 G HN 0.484 nan 8.290 nan 0.000 0.551 645 H N -0.059 119.055 119.070 0.073 0.000 2.289 645 H HA -0.079 4.658 4.556 0.301 0.000 0.296 645 H C 2.204 177.463 175.328 -0.114 0.000 1.091 645 H CA 2.122 58.155 56.048 -0.025 0.000 1.274 645 H CB -0.293 29.373 29.762 -0.160 0.000 1.364 645 H HN 0.357 nan 8.280 nan 0.000 0.490 646 F N -0.702 119.377 119.950 0.214 0.000 2.293 646 F HA -0.031 4.677 4.527 0.302 0.000 0.297 646 F C 2.329 178.066 175.800 -0.105 0.000 1.089 646 F CA 0.574 58.619 58.000 0.077 0.000 1.377 646 F CB -0.513 38.656 39.000 0.281 0.000 1.051 646 F HN 0.204 nan 8.300 nan 0.000 0.511 647 L N -0.250 121.044 121.223 0.119 0.000 2.013 647 L HA -0.254 4.267 4.340 0.302 0.000 0.212 647 L C 2.276 179.044 176.870 -0.171 0.000 1.073 647 L CA 1.722 56.560 54.840 -0.004 0.000 0.753 647 L CB -1.081 40.924 42.059 -0.089 0.000 0.890 647 L HN 0.182 nan 8.230 nan 0.000 0.432 648 F N -1.028 118.648 119.950 -0.455 0.000 2.069 648 F HA -0.262 4.446 4.527 0.301 0.000 0.298 648 F C 1.919 177.409 175.800 -0.516 0.000 1.113 648 F CA 1.946 59.586 58.000 -0.599 0.000 1.214 648 F CB -0.699 37.786 39.000 -0.858 0.000 0.978 648 F HN 0.138 nan 8.300 nan 0.000 0.474 649 W N -0.303 120.816 121.300 -0.302 0.000 2.388 649 W HA -0.184 4.657 4.660 0.302 0.000 0.294 649 W C 2.710 179.091 176.519 -0.229 0.000 1.212 649 W CA 1.251 58.407 57.345 -0.315 0.000 1.271 649 W CB -0.624 28.691 29.460 -0.241 0.000 1.126 649 W HN 0.068 nan 8.180 nan 0.000 0.535 650 H N 0.011 119.137 119.070 0.093 0.000 2.387 650 H HA -0.107 4.630 4.556 0.302 0.000 0.299 650 H C 2.130 177.405 175.328 -0.088 0.000 1.090 650 H CA 1.538 57.604 56.048 0.031 0.000 1.332 650 H CB -0.791 28.973 29.762 0.003 0.000 1.386 650 H HN 0.248 nan 8.280 nan 0.000 0.516 651 L N -0.123 120.993 121.223 -0.180 0.000 2.068 651 L HA -0.067 4.454 4.340 0.302 0.000 0.204 651 L C 2.734 179.531 176.870 -0.121 0.000 1.076 651 L CA 0.825 55.476 54.840 -0.315 0.000 0.753 651 L CB -0.251 41.505 42.059 -0.506 0.000 0.910 651 L HN 0.057 nan 8.230 nan 0.000 0.439 652 R N 0.997 121.250 120.500 -0.412 0.000 2.096 652 R HA -0.143 4.378 4.340 0.302 0.000 0.235 652 R C 2.402 178.719 176.300 0.027 0.000 1.127 652 R CA 1.774 57.653 56.100 -0.367 0.000 0.968 652 R CB -0.668 29.096 30.300 -0.893 0.000 0.861 652 R HN 0.468 nan 8.270 nan 0.000 0.440 653 S N -0.373 115.415 115.700 0.147 0.000 2.515 653 S HA -0.024 4.627 4.470 0.302 0.000 0.231 653 S C 0.809 175.581 174.600 0.286 0.000 0.987 653 S CA 0.826 59.174 58.200 0.246 0.000 0.936 653 S CB -0.095 63.256 63.200 0.253 0.000 0.766 653 S HN 0.467 nan 8.310 nan 0.000 0.528 654 E N 0.126 120.457 120.200 0.219 0.000 2.548 654 E HA 0.245 4.776 4.350 0.302 0.000 0.206 654 E C 0.711 177.271 176.600 -0.066 0.000 1.005 654 E CA -0.279 56.155 56.400 0.058 0.000 0.951 654 E CB 0.074 29.833 29.700 0.098 0.000 1.035 654 E HN 0.437 nan 8.360 nan 0.000 0.470 655 M N 1.070 120.728 119.600 0.096 0.000 2.460 655 M HA -0.093 4.568 4.480 0.302 0.000 0.263 655 M C 1.928 178.250 176.300 0.037 0.000 1.071 655 M CA 1.272 56.606 55.300 0.056 0.000 1.096 655 M CB -0.891 31.758 32.600 0.083 0.000 1.408 655 M HN 0.287 nan 8.290 nan 0.000 0.463 656 H N -1.004 118.074 119.070 0.013 0.000 2.547 656 H HA 0.208 4.946 4.556 0.303 0.000 0.266 656 H C -0.137 175.188 175.328 -0.004 0.000 0.988 656 H CA 0.165 56.219 56.048 0.010 0.000 1.147 656 H CB -0.594 29.181 29.762 0.022 0.000 1.365 656 H HN 0.086 nan 8.280 nan 0.000 0.589 657 V N 3.901 123.552 119.914 -0.438 0.000 2.304 657 V HA 0.122 4.423 4.120 0.302 0.000 0.269 657 V C -1.463 174.520 176.094 -0.185 0.000 1.036 657 V CA -1.217 60.875 62.300 -0.347 0.000 0.840 657 V CB 1.521 33.067 31.823 -0.461 0.000 1.036 657 V HN 0.110 nan 8.190 nan 0.000 0.466 658 P HA -0.181 nan 4.420 nan 0.000 0.217 658 P C 1.837 179.186 177.300 0.083 0.000 1.148 658 P CA 1.728 64.864 63.100 0.060 0.000 0.828 658 P CB 0.189 32.000 31.700 0.186 0.000 0.783 659 S N -1.409 114.248 115.700 -0.071 0.000 2.474 659 S HA -0.070 4.581 4.470 0.302 0.000 0.235 659 S C 1.566 176.008 174.600 -0.262 0.000 0.997 659 S CA 1.212 59.261 58.200 -0.251 0.000 0.949 659 S CB -1.244 61.559 63.200 -0.661 0.000 0.766 659 S HN 0.183 nan 8.310 nan 0.000 0.517 660 V N -3.086 116.621 119.914 -0.345 0.000 3.432 660 V HA 0.700 5.001 4.120 0.302 0.000 0.298 660 V C 2.089 177.935 176.094 -0.412 0.000 1.464 660 V CA 0.121 62.089 62.300 -0.553 0.000 1.046 660 V CB -0.542 30.621 31.823 -1.101 0.000 0.887 660 V HN 0.378 nan 8.190 nan 0.000 0.441 661 A N 1.413 124.114 122.820 -0.199 0.000 1.877 661 A HA -0.107 4.394 4.320 0.302 0.000 0.216 661 A C 2.038 179.643 177.584 0.034 0.000 1.186 661 A CA 2.331 54.331 52.037 -0.063 0.000 0.620 661 A CB -0.544 18.443 19.000 -0.021 0.000 0.822 661 A HN 0.600 nan 8.150 nan 0.000 0.443 662 L N -0.109 121.129 121.223 0.026 0.000 1.994 662 L HA -0.129 4.392 4.340 0.302 0.000 0.208 662 L C 2.447 179.286 176.870 -0.051 0.000 1.071 662 L CA 2.520 57.397 54.840 0.062 0.000 0.745 662 L CB -0.778 41.293 42.059 0.021 0.000 0.892 662 L HN 0.483 nan 8.230 nan 0.000 0.431 663 R N -1.362 119.086 120.500 -0.086 0.000 2.082 663 R HA -0.222 4.299 4.340 0.302 0.000 0.234 663 R C 2.302 178.667 176.300 0.109 0.000 1.136 663 R CA 2.200 58.251 56.100 -0.081 0.000 0.935 663 R CB -0.523 29.769 30.300 -0.013 0.000 0.842 663 R HN 0.335 nan 8.270 nan 0.000 0.430 664 F N 0.311 120.202 119.950 -0.098 0.000 2.171 664 F HA -0.015 4.693 4.527 0.301 0.000 0.300 664 F C 2.428 178.213 175.800 -0.025 0.000 1.090 664 F CA 1.185 59.145 58.000 -0.066 0.000 1.293 664 F CB -1.327 37.628 39.000 -0.075 0.000 1.013 664 F HN 0.258 nan 8.300 nan 0.000 0.486 665 G N 0.191 109.122 108.800 0.218 0.000 2.421 665 G HA2 -0.205 3.936 3.960 0.302 0.000 0.216 665 G HA3 -0.205 3.936 3.960 0.302 0.000 0.216 665 G C 1.888 176.927 174.900 0.232 0.000 1.171 665 G CA 0.759 46.027 45.100 0.280 0.000 0.775 665 G HN 0.329 nan 8.290 nan 0.000 0.543 666 L N 0.087 121.287 121.223 -0.038 0.000 2.042 666 L HA -0.061 4.460 4.340 0.302 0.000 0.210 666 L C 2.885 179.859 176.870 0.174 0.000 1.076 666 L CA 0.771 55.499 54.840 -0.187 0.000 0.749 666 L CB -0.398 41.297 42.059 -0.608 0.000 0.893 666 L HN 0.215 nan 8.230 nan 0.000 0.432 667 I N -0.756 119.909 120.570 0.159 0.000 2.179 667 I HA -0.333 4.018 4.170 0.302 0.000 0.242 667 I C 2.616 178.853 176.117 0.200 0.000 1.088 667 I CA 1.514 62.956 61.300 0.237 0.000 1.357 667 I CB -0.236 37.835 38.000 0.119 0.000 1.051 667 I HN 0.243 nan 8.210 nan 0.000 0.409 668 M N -0.020 119.670 119.600 0.150 0.000 2.159 668 M HA -0.235 4.426 4.480 0.302 0.000 0.263 668 M C 2.315 178.771 176.300 0.261 0.000 1.063 668 M CA 1.711 57.131 55.300 0.200 0.000 1.110 668 M CB -0.473 32.209 32.600 0.135 0.000 1.374 668 M HN 0.246 nan 8.290 nan 0.000 0.411 669 E N 0.743 121.087 120.200 0.240 0.000 2.021 669 E HA -0.252 4.279 4.350 0.302 0.000 0.200 669 E C 1.955 178.669 176.600 0.189 0.000 1.015 669 E CA 1.719 58.254 56.400 0.225 0.000 0.824 669 E CB -0.094 29.763 29.700 0.263 0.000 0.762 669 E HN 0.448 nan 8.360 nan 0.000 0.454 670 A N 0.476 123.416 122.820 0.200 0.000 1.884 670 A HA -0.278 4.223 4.320 0.302 0.000 0.219 670 A C 2.150 179.826 177.584 0.155 0.000 1.197 670 A CA 2.013 54.142 52.037 0.154 0.000 0.637 670 A CB -1.379 17.709 19.000 0.147 0.000 0.827 670 A HN 0.656 nan 8.150 nan 0.000 0.450 671 Y N 0.268 120.622 120.300 0.090 0.000 2.040 671 Y HA -0.365 4.366 4.550 0.301 0.000 0.275 671 Y C 2.752 178.677 175.900 0.042 0.000 1.171 671 Y CA 1.712 59.853 58.100 0.069 0.000 1.123 671 Y CB -1.052 37.450 38.460 0.071 0.000 0.963 671 Y HN 0.415 nan 8.280 nan 0.000 0.493 672 C N 0.986 120.323 119.300 0.061 0.000 2.391 672 C HA -0.252 4.389 4.460 0.302 0.000 0.276 672 C C 2.673 177.612 174.990 -0.085 0.000 1.217 672 C CA 1.428 60.416 59.018 -0.050 0.000 1.766 672 C CB -1.221 26.545 27.740 0.043 0.000 2.046 672 C HN 0.536 nan 8.230 nan 0.000 0.475 673 R N 0.417 120.900 120.500 -0.028 0.000 2.159 673 R HA -0.074 4.447 4.340 0.302 0.000 0.237 673 R C 2.263 178.515 176.300 -0.079 0.000 1.131 673 R CA 1.580 57.663 56.100 -0.028 0.000 0.982 673 R CB -1.125 29.180 30.300 0.009 0.000 0.868 673 R HN 0.664 nan 8.270 nan 0.000 0.453 674 G N -0.855 107.860 108.800 -0.143 0.000 2.683 674 G HA2 -0.071 4.070 3.960 0.302 0.000 0.213 674 G HA3 -0.071 4.070 3.960 0.302 0.000 0.213 674 G C 0.286 175.046 174.900 -0.234 0.000 1.142 674 G CA 0.083 45.072 45.100 -0.186 0.000 0.793 674 G HN 0.241 nan 8.290 nan 0.000 0.534 675 S N -0.384 115.136 115.700 -0.300 0.000 2.461 675 S HA 0.387 5.038 4.470 0.302 0.000 0.216 675 S C 1.170 175.718 174.600 -0.088 0.000 1.201 675 S CA -0.265 57.830 58.200 -0.177 0.000 1.171 675 S CB 0.620 63.717 63.200 -0.171 0.000 1.169 675 S HN 0.070 nan 8.310 nan 0.000 0.456 676 T N 3.520 118.061 114.554 -0.023 0.000 2.674 676 T HA -0.155 4.376 4.350 0.302 0.000 0.265 676 T C 1.681 176.410 174.700 0.047 0.000 1.039 676 T CA 1.545 63.648 62.100 0.004 0.000 1.150 676 T CB -0.564 68.315 68.868 0.018 0.000 0.864 676 T HN 0.802 nan 8.240 nan 0.000 0.427 677 H N 0.625 119.713 119.070 0.031 0.000 2.289 677 H HA -0.169 4.569 4.556 0.302 0.000 0.296 677 H C 2.274 177.675 175.328 0.121 0.000 1.091 677 H CA 2.173 58.265 56.048 0.074 0.000 1.274 677 H CB -0.495 29.328 29.762 0.101 0.000 1.364 677 H HN 0.592 nan 8.280 nan 0.000 0.490 678 H N -0.167 118.956 119.070 0.088 0.000 2.457 678 H HA -0.108 4.629 4.556 0.301 0.000 0.294 678 H C 2.686 177.954 175.328 -0.100 0.000 1.064 678 H CA 0.872 56.938 56.048 0.029 0.000 1.330 678 H CB 0.083 29.906 29.762 0.102 0.000 1.395 678 H HN 0.376 nan 8.280 nan 0.000 0.541 679 M N 0.982 120.526 119.600 -0.094 0.000 2.080 679 M HA -0.211 4.450 4.480 0.302 0.000 0.260 679 M C 1.806 178.000 176.300 -0.176 0.000 1.068 679 M CA 1.844 57.025 55.300 -0.199 0.000 1.109 679 M CB -0.037 32.491 32.600 -0.120 0.000 1.342 679 M HN 0.163 nan 8.290 nan 0.000 0.405 680 K N -0.350 119.972 120.400 -0.131 0.000 2.147 680 K HA -0.100 4.402 4.320 0.302 0.000 0.205 680 K C 1.826 178.360 176.600 -0.111 0.000 1.049 680 K CA 1.454 57.666 56.287 -0.124 0.000 0.936 680 K CB -0.243 32.170 32.500 -0.146 0.000 0.722 680 K HN 0.303 nan 8.250 nan 0.000 0.446 681 V N 1.759 121.611 119.914 -0.103 0.000 2.453 681 V HA -0.194 4.107 4.120 0.302 0.000 0.247 681 V C 2.132 178.237 176.094 0.019 0.000 1.048 681 V CA 1.434 63.738 62.300 0.008 0.000 1.049 681 V CB -0.358 31.557 31.823 0.152 0.000 0.672 681 V HN 0.247 nan 8.190 nan 0.000 0.457 682 L N -1.208 119.938 121.223 -0.128 0.000 2.093 682 L HA -0.169 4.352 4.340 0.302 0.000 0.208 682 L C 2.516 179.322 176.870 -0.108 0.000 1.085 682 L CA 1.474 56.158 54.840 -0.260 0.000 0.755 682 L CB -0.488 41.019 42.059 -0.921 0.000 0.904 682 L HN 0.292 nan 8.230 nan 0.000 0.435 683 M N -0.289 119.249 119.600 -0.104 0.000 2.080 683 M HA -0.243 4.418 4.480 0.302 0.000 0.260 683 M C 2.391 178.713 176.300 0.037 0.000 1.068 683 M CA 1.674 56.961 55.300 -0.020 0.000 1.109 683 M CB -0.397 32.184 32.600 -0.032 0.000 1.342 683 M HN 0.037 nan 8.290 nan 0.000 0.405 684 K N 0.874 121.291 120.400 0.028 0.000 2.059 684 K HA -0.233 4.268 4.320 0.302 0.000 0.212 684 K C 1.791 178.443 176.600 0.087 0.000 1.050 684 K CA 1.989 58.306 56.287 0.050 0.000 0.927 684 K CB -0.384 32.144 32.500 0.047 0.000 0.714 684 K HN 0.390 nan 8.250 nan 0.000 0.447 685 Q N -1.141 118.745 119.800 0.143 0.000 2.061 685 Q HA -0.092 4.429 4.340 0.302 0.000 0.204 685 Q C 2.183 178.338 176.000 0.259 0.000 0.984 685 Q CA 1.641 57.577 55.803 0.222 0.000 0.846 685 Q CB -0.437 28.546 28.738 0.408 0.000 0.902 685 Q HN 0.584 nan 8.270 nan 0.000 0.421 686 G N 0.669 109.660 108.800 0.319 0.000 2.432 686 G HA2 -0.257 3.884 3.960 0.302 0.000 0.219 686 G HA3 -0.257 3.884 3.960 0.302 0.000 0.219 686 G C 1.006 175.997 174.900 0.152 0.000 1.135 686 G CA 0.730 46.016 45.100 0.311 0.000 0.767 686 G HN 0.332 nan 8.290 nan 0.000 0.550 687 E N 0.541 120.795 120.200 0.090 0.000 2.072 687 E HA 0.012 4.543 4.350 0.302 0.000 0.191 687 E C 2.906 179.496 176.600 -0.017 0.000 0.985 687 E CA 0.754 57.168 56.400 0.023 0.000 0.801 687 E CB -0.166 29.539 29.700 0.008 0.000 0.750 687 E HN 0.402 nan 8.360 nan 0.000 0.452 688 A N 1.189 124.013 122.820 0.006 0.000 1.877 688 A HA -0.162 4.339 4.320 0.302 0.000 0.216 688 A C 2.197 179.739 177.584 -0.071 0.000 1.186 688 A CA 1.072 53.092 52.037 -0.029 0.000 0.620 688 A CB -0.669 18.338 19.000 0.012 0.000 0.822 688 A HN 0.139 nan 8.150 nan 0.000 0.443 689 L N -0.418 120.802 121.223 -0.006 0.000 2.083 689 L HA -0.176 4.345 4.340 0.302 0.000 0.209 689 L C 2.971 179.809 176.870 -0.055 0.000 1.083 689 L CA 1.549 56.388 54.840 -0.002 0.000 0.752 689 L CB -0.360 41.779 42.059 0.132 0.000 0.899 689 L HN 0.553 nan 8.230 nan 0.000 0.433 690 S N -0.422 115.267 115.700 -0.018 0.000 2.368 690 S HA -0.172 4.479 4.470 0.302 0.000 0.225 690 S C 2.133 176.656 174.600 -0.128 0.000 1.030 690 S CA 1.059 59.240 58.200 -0.032 0.000 0.999 690 S CB -0.013 63.182 63.200 -0.008 0.000 0.844 690 S HN 0.242 nan 8.310 nan 0.000 0.459 691 K N 1.059 121.329 120.400 -0.217 0.000 2.026 691 K HA 0.038 4.539 4.320 0.302 0.000 0.208 691 K C 2.186 178.625 176.600 -0.269 0.000 1.048 691 K CA 1.158 57.230 56.287 -0.359 0.000 0.929 691 K CB -0.936 31.252 32.500 -0.522 0.000 0.713 691 K HN 0.434 nan 8.250 nan 0.000 0.439 692 L N 1.134 122.133 121.223 -0.373 0.000 2.043 692 L HA -0.244 4.277 4.340 0.302 0.000 0.212 692 L C 2.562 179.034 176.870 -0.663 0.000 1.075 692 L CA 1.334 55.786 54.840 -0.647 0.000 0.752 692 L CB -0.519 40.821 42.059 -1.197 0.000 0.891 692 L HN 0.101 nan 8.230 nan 0.000 0.432 693 K N 0.614 120.729 120.400 -0.475 0.000 2.063 693 K HA -0.165 4.336 4.320 0.302 0.000 0.208 693 K C 1.981 178.612 176.600 0.051 0.000 1.048 693 K CA 1.833 58.115 56.287 -0.007 0.000 0.928 693 K CB -0.437 32.145 32.500 0.137 0.000 0.713 693 K HN 0.251 nan 8.250 nan 0.000 0.442 694 A N 0.313 123.146 122.820 0.022 0.000 1.929 694 A HA -0.049 4.452 4.320 0.302 0.000 0.216 694 A C 2.106 179.785 177.584 0.159 0.000 1.176 694 A CA 1.384 53.481 52.037 0.100 0.000 0.628 694 A CB -0.658 18.406 19.000 0.107 0.000 0.816 694 A HN 0.349 nan 8.150 nan 0.000 0.444 695 L N 0.456 121.774 121.223 0.158 0.000 2.046 695 L HA -0.139 4.382 4.340 0.302 0.000 0.208 695 L C 1.968 178.935 176.870 0.162 0.000 1.077 695 L CA 2.280 57.229 54.840 0.181 0.000 0.747 695 L CB -0.778 41.394 42.059 0.189 0.000 0.896 695 L HN 0.426 nan 8.230 nan 0.000 0.432 696 N N -0.313 118.460 118.700 0.122 0.000 2.216 696 N HA -0.175 4.746 4.740 0.302 0.000 0.183 696 N C 1.428 177.008 175.510 0.117 0.000 1.017 696 N CA 1.316 54.463 53.050 0.161 0.000 0.861 696 N CB -0.138 38.550 38.487 0.337 0.000 0.986 696 N HN 0.377 nan 8.380 nan 0.000 0.428 697 D N -0.192 120.285 120.400 0.129 0.000 2.123 697 D HA -0.161 4.660 4.640 0.302 0.000 0.196 697 D C 1.650 177.987 176.300 0.061 0.000 0.992 697 D CA 0.591 54.644 54.000 0.088 0.000 0.833 697 D CB -0.523 40.336 40.800 0.097 0.000 0.954 697 D HN 0.302 nan 8.370 nan 0.000 0.455 698 F N 1.522 121.459 119.950 -0.023 0.000 2.095 698 F HA -0.225 4.275 4.527 -0.045 0.000 0.298 698 F C 2.204 177.934 175.800 -0.116 0.000 1.104 698 F CA 1.095 59.060 58.000 -0.058 0.000 1.232 698 F CB -0.417 38.546 39.000 -0.062 0.000 0.987 698 F HN -0.210 nan 8.300 nan 0.000 0.475 699 V N 0.824 120.634 119.914 -0.173 0.000 2.332 699 V HA -0.338 3.963 4.120 0.302 0.000 0.248 699 V C 2.409 178.218 176.094 -0.475 0.000 1.055 699 V CA 2.362 64.394 62.300 -0.447 0.000 1.038 699 V CB -0.739 30.851 31.823 -0.389 0.000 0.651 699 V HN 0.309 nan 8.190 nan 0.000 0.450 700 K N -0.429 119.813 120.400 -0.264 0.000 2.032 700 K HA -0.157 4.345 4.320 0.302 0.000 0.209 700 K C 2.039 178.513 176.600 -0.210 0.000 1.048 700 K CA 1.616 57.793 56.287 -0.183 0.000 0.927 700 K CB -0.441 32.011 32.500 -0.079 0.000 0.712 700 K HN 0.335 nan 8.250 nan 0.000 0.441 701 V N 0.622 120.390 119.914 -0.244 0.000 2.261 701 V HA -0.260 4.041 4.120 0.302 0.000 0.246 701 V C 2.387 178.290 176.094 -0.318 0.000 1.047 701 V CA 2.074 64.234 62.300 -0.234 0.000 1.015 701 V CB -0.523 31.183 31.823 -0.196 0.000 0.642 701 V HN 0.387 nan 8.190 nan 0.000 0.446 702 S N 0.825 116.182 115.700 -0.572 0.000 2.374 702 S HA -0.238 4.413 4.470 0.302 0.000 0.227 702 S C 2.252 176.659 174.600 -0.323 0.000 1.037 702 S CA 2.296 60.152 58.200 -0.574 0.000 1.024 702 S CB -0.493 62.056 63.200 -1.085 0.000 0.861 702 S HN 0.829 nan 8.310 nan 0.000 0.456 703 S N 0.568 116.079 115.700 -0.315 0.000 2.442 703 S HA -0.103 4.548 4.470 0.302 0.000 0.236 703 S C 1.741 176.298 174.600 -0.073 0.000 1.007 703 S CA 1.036 59.149 58.200 -0.145 0.000 0.965 703 S CB -0.608 62.517 63.200 -0.126 0.000 0.773 703 S HN 0.738 nan 8.310 nan 0.000 0.504 704 Q N 0.356 120.096 119.800 -0.100 0.000 2.389 704 Q HA 0.176 4.697 4.340 0.302 0.000 0.204 704 Q C 1.491 177.457 176.000 -0.056 0.000 0.944 704 Q CA 0.769 56.535 55.803 -0.062 0.000 0.908 704 Q CB -0.009 28.692 28.738 -0.063 0.000 1.002 704 Q HN 0.479 nan 8.270 nan 0.000 0.493 705 K N -0.944 119.411 120.400 -0.076 0.000 2.360 705 K HA 0.160 4.661 4.320 0.302 0.000 0.196 705 K C 0.114 176.689 176.600 -0.041 0.000 1.049 705 K CA 0.306 56.559 56.287 -0.057 0.000 1.049 705 K CB 1.426 33.885 32.500 -0.068 0.000 0.881 705 K HN -0.088 nan 8.250 nan 0.000 0.542 706 T N -0.738 113.793 114.554 -0.040 0.000 2.792 706 T HA 0.216 4.747 4.350 0.302 0.000 0.303 706 T C -1.302 173.401 174.700 0.005 0.000 1.310 706 T CA -0.757 61.332 62.100 -0.017 0.000 1.007 706 T CB 1.147 70.004 68.868 -0.018 0.000 1.335 706 T HN 0.158 nan 8.240 nan 0.000 0.504 707 T N 0.614 115.177 114.554 0.015 0.000 2.913 707 T HA 0.303 4.834 4.350 0.302 0.000 0.297 707 T C 1.345 176.078 174.700 0.056 0.000 1.029 707 T CA -0.253 61.863 62.100 0.026 0.000 1.104 707 T CB 0.971 69.846 68.868 0.012 0.000 0.964 707 T HN 0.766 nan 8.240 nan 0.000 0.532 708 K N 2.445 122.884 120.400 0.066 0.000 2.059 708 K HA -0.112 4.389 4.320 0.302 0.000 0.212 708 K C -0.891 175.753 176.600 0.074 0.000 1.050 708 K CA 1.826 58.175 56.287 0.104 0.000 0.927 708 K CB -1.300 31.173 32.500 -0.044 0.000 0.714 708 K HN 0.486 nan 8.250 nan 0.000 0.447 709 P HA -0.192 nan 4.420 nan 0.000 0.215 709 P C 0.918 178.239 177.300 0.035 0.000 1.157 709 P CA 1.599 64.707 63.100 0.013 0.000 0.874 709 P CB -0.010 31.692 31.700 0.003 0.000 0.790 710 Q N -1.358 118.468 119.800 0.042 0.000 2.084 710 Q HA -0.117 4.404 4.340 0.302 0.000 0.202 710 Q C 2.138 178.180 176.000 0.070 0.000 0.978 710 Q CA 1.991 57.822 55.803 0.046 0.000 0.844 710 Q CB -0.777 27.982 28.738 0.036 0.000 0.898 710 Q HN 0.239 nan 8.270 nan 0.000 0.426 711 T N 0.787 115.396 114.554 0.091 0.000 2.746 711 T HA -0.180 4.351 4.350 0.302 0.000 0.267 711 T C 1.634 176.419 174.700 0.143 0.000 1.039 711 T CA 1.363 63.520 62.100 0.096 0.000 1.142 711 T CB -0.114 68.766 68.868 0.021 0.000 0.866 711 T HN 0.237 nan 8.240 nan 0.000 0.444 712 K N 0.846 121.342 120.400 0.160 0.000 2.002 712 K HA -0.187 4.314 4.320 0.302 0.000 0.209 712 K C 2.372 178.808 176.600 -0.274 0.000 1.048 712 K CA 1.697 57.975 56.287 -0.015 0.000 0.930 712 K CB -0.117 32.354 32.500 -0.048 0.000 0.714 712 K HN 0.133 nan 8.250 nan 0.000 0.438 713 E N 0.661 120.795 120.200 -0.109 0.000 2.118 713 E HA -0.186 4.345 4.350 0.302 0.000 0.195 713 E C 1.916 178.514 176.600 -0.003 0.000 0.992 713 E CA 1.693 58.072 56.400 -0.035 0.000 0.804 713 E CB -0.080 29.639 29.700 0.032 0.000 0.741 713 E HN 0.343 nan 8.360 nan 0.000 0.458 714 M N -0.691 118.932 119.600 0.038 0.000 2.200 714 M HA -0.064 4.597 4.480 0.302 0.000 0.265 714 M C 2.317 178.575 176.300 -0.071 0.000 1.066 714 M CA 1.200 56.524 55.300 0.040 0.000 1.127 714 M CB -0.164 32.575 32.600 0.231 0.000 1.379 714 M HN 0.283 nan 8.290 nan 0.000 0.420 715 M N -0.301 119.320 119.600 0.035 0.000 2.073 715 M HA -0.318 4.343 4.480 0.302 0.000 0.258 715 M C 1.874 178.159 176.300 -0.024 0.000 1.070 715 M CA 2.093 57.381 55.300 -0.021 0.000 1.103 715 M CB -0.499 32.125 32.600 0.039 0.000 1.321 715 M HN 0.348 nan 8.290 nan 0.000 0.405 716 H N -0.639 118.421 119.070 -0.018 0.000 2.352 716 H HA -0.182 4.560 4.556 0.309 0.000 0.299 716 H C 2.135 177.406 175.328 -0.095 0.000 1.097 716 H CA 1.812 57.836 56.048 -0.040 0.000 1.311 716 H CB -0.160 29.599 29.762 -0.005 0.000 1.377 716 H HN 0.465 nan 8.280 nan 0.000 0.504 717 M N -0.274 119.332 119.600 0.009 0.000 2.132 717 M HA -0.179 4.482 4.480 0.302 0.000 0.263 717 M C 2.811 178.992 176.300 -0.198 0.000 1.065 717 M CA 0.922 56.174 55.300 -0.081 0.000 1.122 717 M CB -0.268 32.279 32.600 -0.088 0.000 1.365 717 M HN 0.424 nan 8.290 nan 0.000 0.411 718 C N 1.093 120.200 119.300 -0.321 0.000 2.429 718 C HA -0.137 4.504 4.460 0.302 0.000 0.277 718 C C 2.690 177.294 174.990 -0.644 0.000 1.262 718 C CA 0.951 59.634 59.018 -0.558 0.000 1.733 718 C CB -0.666 26.634 27.740 -0.734 0.000 2.010 718 C HN 0.539 nan 8.230 nan 0.000 0.483 719 M N -0.117 119.271 119.600 -0.354 0.000 2.229 719 M HA -0.075 4.586 4.480 0.302 0.000 0.264 719 M C 2.277 178.535 176.300 -0.071 0.000 1.063 719 M CA 1.424 56.632 55.300 -0.154 0.000 1.114 719 M CB -0.475 32.122 32.600 -0.005 0.000 1.387 719 M HN 0.381 nan 8.290 nan 0.000 0.420 720 R N 0.187 120.631 120.500 -0.093 0.000 2.323 720 R HA 0.047 4.568 4.340 0.302 0.000 0.198 720 R C 0.278 176.557 176.300 -0.036 0.000 0.988 720 R CA 0.157 56.228 56.100 -0.049 0.000 1.041 720 R CB -0.095 30.179 30.300 -0.044 0.000 0.926 720 R HN 0.535 nan 8.270 nan 0.000 0.476 721 Q N 0.614 120.376 119.800 -0.064 0.000 2.364 721 Q HA -0.051 4.470 4.340 0.302 0.000 0.267 721 Q C 0.651 176.695 176.000 0.073 0.000 0.999 721 Q CA 0.146 55.944 55.803 -0.008 0.000 0.886 721 Q CB 0.846 29.563 28.738 -0.034 0.000 1.243 721 Q HN 0.178 nan 8.270 nan 0.000 0.415 722 E N 0.571 120.806 120.200 0.059 0.000 2.070 722 E HA -0.251 4.280 4.350 0.302 0.000 0.197 722 E C 1.930 178.580 176.600 0.084 0.000 1.004 722 E CA 2.007 58.444 56.400 0.062 0.000 0.805 722 E CB 0.014 29.740 29.700 0.043 0.000 0.744 722 E HN 0.837 nan 8.360 nan 0.000 0.451 723 T N -1.358 113.259 114.554 0.104 0.000 2.803 723 T HA -0.215 4.316 4.350 0.302 0.000 0.269 723 T C 1.725 176.464 174.700 0.065 0.000 1.052 723 T CA 1.210 63.358 62.100 0.080 0.000 1.136 723 T CB -0.457 68.464 68.868 0.088 0.000 0.864 723 T HN 0.153 nan 8.240 nan 0.000 0.467 724 Y N 0.678 120.966 120.300 -0.019 0.000 2.269 724 Y HA 0.240 4.988 4.550 0.330 0.000 0.294 724 Y C 2.804 178.691 175.900 -0.021 0.000 1.120 724 Y CA 0.635 58.719 58.100 -0.027 0.000 1.159 724 Y CB -0.279 38.155 38.460 -0.043 0.000 1.024 724 Y HN 0.062 nan 8.280 nan 0.000 0.532 725 M N -0.196 119.488 119.600 0.140 0.000 2.159 725 M HA -0.207 4.454 4.480 0.302 0.000 0.263 725 M C 2.061 178.387 176.300 0.044 0.000 1.063 725 M CA 1.492 56.831 55.300 0.065 0.000 1.110 725 M CB -0.937 31.691 32.600 0.047 0.000 1.374 725 M HN 0.347 nan 8.290 nan 0.000 0.411 726 E N 0.103 120.336 120.200 0.055 0.000 2.015 726 E HA -0.120 4.411 4.350 0.302 0.000 0.191 726 E C 2.015 178.635 176.600 0.034 0.000 0.991 726 E CA 1.336 57.769 56.400 0.055 0.000 0.802 726 E CB 0.101 29.832 29.700 0.052 0.000 0.759 726 E HN 0.425 nan 8.360 nan 0.000 0.447 727 A N 1.132 123.950 122.820 -0.003 0.000 1.908 727 A HA -0.147 4.354 4.320 0.302 0.000 0.218 727 A C 2.153 179.730 177.584 -0.011 0.000 1.181 727 A CA 1.119 53.136 52.037 -0.033 0.000 0.627 727 A CB -0.576 18.354 19.000 -0.117 0.000 0.818 727 A HN 0.249 nan 8.150 nan 0.000 0.445 728 L N -0.416 120.810 121.223 0.005 0.000 2.554 728 L HA 0.072 4.594 4.340 0.302 0.000 0.226 728 L C 0.387 177.333 176.870 0.127 0.000 1.137 728 L CA -0.085 54.793 54.840 0.063 0.000 0.863 728 L CB -0.125 41.971 42.059 0.062 0.000 0.985 728 L HN 0.170 nan 8.230 nan 0.000 0.451 729 S N -1.701 114.009 115.700 0.018 0.000 2.621 729 S HA 0.424 5.075 4.470 0.302 0.000 0.302 729 S C -0.290 174.209 174.600 -0.169 0.000 1.093 729 S CA -0.541 57.571 58.200 -0.146 0.000 1.017 729 S CB 0.895 63.857 63.200 -0.397 0.000 1.077 729 S HN 0.294 nan 8.310 nan 0.000 0.517 730 H N 0.093 119.194 119.070 0.052 0.000 2.750 730 H HA -0.147 4.591 4.556 0.303 0.000 0.327 730 H C -0.583 174.738 175.328 -0.011 0.000 1.199 730 H CA 0.826 56.880 56.048 0.009 0.000 1.149 730 H CB -2.310 27.468 29.762 0.028 0.000 1.543 730 H HN 0.557 nan 8.280 nan 0.000 0.427 731 L N -2.466 118.756 121.223 -0.002 0.000 2.257 731 L HA 0.668 5.189 4.340 0.302 0.000 0.257 731 L C 0.224 177.056 176.870 -0.063 0.000 1.033 731 L CA -1.335 53.501 54.840 -0.007 0.000 0.835 731 L CB 1.858 43.913 42.059 -0.007 0.000 1.398 731 L HN -0.006 nan 8.230 nan 0.000 0.429 732 Q N 0.750 120.542 119.800 -0.012 0.000 2.259 732 Q HA 0.324 4.845 4.340 0.302 0.000 0.246 732 Q C -0.342 175.637 176.000 -0.035 0.000 0.920 732 Q CA -0.524 55.257 55.803 -0.037 0.000 0.895 732 Q CB 1.727 30.489 28.738 0.041 0.000 1.220 732 Q HN 0.711 nan 8.270 nan 0.000 0.439 733 S N 1.944 117.591 115.700 -0.089 0.000 2.531 733 S HA 0.123 4.774 4.470 0.302 0.000 0.279 733 S C -1.834 172.767 174.600 0.001 0.000 1.305 733 S CA -1.386 56.767 58.200 -0.078 0.000 1.058 733 S CB 0.498 63.640 63.200 -0.096 0.000 0.899 733 S HN 0.364 nan 8.310 nan 0.000 0.493 734 P HA 0.014 nan 4.420 nan 0.000 0.223 734 P C 1.002 178.332 177.300 0.050 0.000 1.151 734 P CA 0.772 63.849 63.100 -0.040 0.000 0.787 734 P CB 0.070 31.442 31.700 -0.545 0.000 0.788 735 L N -1.576 119.676 121.223 0.050 0.000 2.217 735 L HA 0.009 4.530 4.340 0.302 0.000 0.211 735 L C 0.485 177.528 176.870 0.288 0.000 1.107 735 L CA 0.983 55.933 54.840 0.185 0.000 0.783 735 L CB -0.278 41.855 42.059 0.122 0.000 0.919 735 L HN -0.025 nan 8.230 nan 0.000 0.442 736 D N -1.591 118.861 120.400 0.087 0.000 2.300 736 D HA 0.094 4.915 4.640 0.302 0.000 0.218 736 D C -2.152 174.046 176.300 -0.171 0.000 1.326 736 D CA -1.229 52.803 54.000 0.053 0.000 0.942 736 D CB 1.373 42.226 40.800 0.089 0.000 1.495 736 D HN -0.283 nan 8.370 nan 0.000 0.545 737 P HA -0.119 nan 4.420 nan 0.000 0.223 737 P C 0.946 178.194 177.300 -0.086 0.000 1.144 737 P CA 0.760 63.628 63.100 -0.387 0.000 0.783 737 P CB 0.204 31.574 31.700 -0.550 0.000 0.771 738 S N -2.548 113.133 115.700 -0.031 0.000 2.558 738 S HA 0.054 4.705 4.470 0.302 0.000 0.217 738 S C 0.902 175.488 174.600 -0.023 0.000 0.975 738 S CA -0.053 58.188 58.200 0.069 0.000 0.912 738 S CB -1.114 62.145 63.200 0.098 0.000 0.776 738 S HN -0.015 nan 8.310 nan 0.000 0.526 739 T N 3.512 118.028 114.554 -0.063 0.000 2.749 739 T HA 0.465 4.996 4.350 0.302 0.000 0.295 739 T C -0.366 174.242 174.700 -0.153 0.000 0.936 739 T CA -0.340 61.704 62.100 -0.094 0.000 1.060 739 T CB 0.656 69.483 68.868 -0.067 0.000 0.904 739 T HN 0.275 nan 8.240 nan 0.000 0.500 740 L N 4.690 125.804 121.223 -0.181 0.000 2.264 740 L HA 0.441 4.962 4.340 0.302 0.000 0.289 740 L C -0.118 176.621 176.870 -0.219 0.000 1.044 740 L CA -0.710 54.005 54.840 -0.209 0.000 0.807 740 L CB 0.710 42.641 42.059 -0.214 0.000 1.192 740 L HN 0.425 nan 8.230 nan 0.000 0.425 741 L N 4.120 125.152 121.223 -0.319 0.000 2.270 741 L HA 0.270 4.791 4.340 0.302 0.000 0.286 741 L C 0.789 177.457 176.870 -0.336 0.000 1.059 741 L CA -0.393 54.081 54.840 -0.611 0.000 0.839 741 L CB 0.716 42.030 42.059 -1.241 0.000 1.221 741 L HN 0.655 nan 8.230 nan 0.000 0.431 742 E N 2.756 122.907 120.200 -0.082 0.000 2.110 742 E HA 0.061 4.592 4.350 0.302 0.000 0.220 742 E C 0.190 176.772 176.600 -0.030 0.000 0.893 742 E CA 0.361 56.790 56.400 0.049 0.000 1.027 742 E CB 0.182 29.958 29.700 0.128 0.000 1.017 742 E HN 0.528 nan 8.360 nan 0.000 0.522 743 E N 1.985 122.228 120.200 0.071 0.000 2.200 743 E HA 0.242 4.773 4.350 0.302 0.000 0.283 743 E C -0.038 176.586 176.600 0.041 0.000 1.015 743 E CA -0.426 55.977 56.400 0.005 0.000 0.819 743 E CB 1.959 31.673 29.700 0.024 0.000 1.081 743 E HN -0.032 nan 8.360 nan 0.000 0.397 744 V N 3.359 123.213 119.914 -0.101 0.000 2.521 744 V HA -0.026 4.275 4.120 0.302 0.000 0.286 744 V C -0.206 175.745 176.094 -0.238 0.000 1.034 744 V CA -0.490 61.561 62.300 -0.415 0.000 1.045 744 V CB 0.608 32.179 31.823 -0.420 0.000 0.974 744 V HN 0.935 nan 8.190 nan 0.000 0.480 745 C N 7.612 126.767 119.300 -0.241 0.000 2.192 745 C HA 0.380 5.021 4.460 0.302 0.000 0.337 745 C C 1.562 176.457 174.990 -0.158 0.000 1.103 745 C CA -0.372 58.563 59.018 -0.138 0.000 1.581 745 C CB -0.900 26.791 27.740 -0.081 0.000 2.070 745 C HN 0.883 nan 8.230 nan 0.000 0.485 746 V N 4.392 124.199 119.914 -0.179 0.000 2.332 746 V HA -0.155 4.146 4.120 0.302 0.000 0.248 746 V C 2.492 178.300 176.094 -0.478 0.000 1.055 746 V CA 2.339 64.495 62.300 -0.241 0.000 1.038 746 V CB -0.623 31.062 31.823 -0.230 0.000 0.651 746 V HN 0.899 nan 8.190 nan 0.000 0.450 747 E N 0.141 120.104 120.200 -0.394 0.000 2.204 747 E HA -0.215 4.316 4.350 0.302 0.000 0.195 747 E C 2.162 178.679 176.600 -0.138 0.000 0.990 747 E CA 1.322 57.490 56.400 -0.386 0.000 0.821 747 E CB -0.151 29.447 29.700 -0.170 0.000 0.750 747 E HN 0.698 nan 8.360 nan 0.000 0.477 748 Q N -1.174 118.605 119.800 -0.035 0.000 2.392 748 Q HA 0.148 4.669 4.340 0.302 0.000 0.203 748 Q C 0.029 176.177 176.000 0.247 0.000 0.917 748 Q CA -0.142 55.725 55.803 0.107 0.000 0.939 748 Q CB 0.560 29.366 28.738 0.113 0.000 1.063 748 Q HN 0.213 nan 8.270 nan 0.000 0.516 749 C N 0.505 119.949 119.300 0.241 0.000 2.595 749 C HA 0.543 5.184 4.460 0.302 0.000 0.384 749 C C 0.915 176.167 174.990 0.437 0.000 1.289 749 C CA -0.226 59.011 59.018 0.364 0.000 2.372 749 C CB 0.845 28.732 27.740 0.245 0.000 2.593 749 C HN 0.365 nan 8.230 nan 0.000 0.639 750 T N -0.080 114.703 114.554 0.381 0.000 2.663 750 T HA 0.648 5.179 4.350 0.302 0.000 0.302 750 T C -1.962 172.960 174.700 0.369 0.000 1.523 750 T CA -0.377 61.874 62.100 0.251 0.000 1.011 750 T CB 0.533 69.396 68.868 -0.010 0.000 1.841 750 T HN 0.982 nan 8.240 nan 0.000 0.462 751 F N 0.682 120.675 119.950 0.072 0.000 2.645 751 F HA 0.841 5.555 4.527 0.313 0.000 0.310 751 F C -0.829 174.991 175.800 0.033 0.000 1.102 751 F CA -1.358 56.701 58.000 0.098 0.000 0.952 751 F CB 1.251 40.303 39.000 0.086 0.000 1.326 751 F HN 0.539 nan 8.300 nan 0.000 0.456 752 M N 1.536 121.208 119.600 0.120 0.000 2.471 752 M HA 0.341 5.002 4.480 0.302 0.000 0.309 752 M C -0.354 175.973 176.300 0.044 0.000 1.186 752 M CA -0.580 54.706 55.300 -0.025 0.000 1.008 752 M CB 1.133 33.762 32.600 0.049 0.000 1.551 752 M HN 0.635 nan 8.290 nan 0.000 0.477 753 D N 0.702 121.083 120.400 -0.032 0.000 2.339 753 D HA 0.038 4.859 4.640 0.302 0.000 0.217 753 D C 0.489 176.819 176.300 0.049 0.000 1.050 753 D CA 0.294 54.299 54.000 0.008 0.000 0.856 753 D CB 0.214 40.980 40.800 -0.057 0.000 0.922 753 D HN 0.625 nan 8.370 nan 0.000 0.518 754 S N 0.505 116.236 115.700 0.052 0.000 2.576 754 S HA 0.016 4.667 4.470 0.302 0.000 0.272 754 S C 1.326 175.966 174.600 0.067 0.000 1.352 754 S CA -0.566 57.665 58.200 0.052 0.000 1.021 754 S CB 2.112 65.342 63.200 0.050 0.000 0.887 754 S HN 0.016 nan 8.310 nan 0.000 0.542 755 K N 0.241 120.671 120.400 0.050 0.000 2.071 755 K HA -0.201 4.300 4.320 0.302 0.000 0.217 755 K C 1.501 178.130 176.600 0.049 0.000 1.054 755 K CA 1.955 58.269 56.287 0.044 0.000 0.937 755 K CB -0.283 32.237 32.500 0.034 0.000 0.719 755 K HN 0.622 nan 8.250 nan 0.000 0.454 756 M N 1.292 120.923 119.600 0.051 0.000 2.659 756 M HA 0.005 4.666 4.480 0.302 0.000 0.243 756 M C -0.228 176.119 176.300 0.079 0.000 1.111 756 M CA 0.698 56.027 55.300 0.048 0.000 1.070 756 M CB -0.291 32.326 32.600 0.030 0.000 1.525 756 M HN 0.063 nan 8.290 nan 0.000 0.517 757 K N -0.162 120.309 120.400 0.119 0.000 3.451 757 K HA -0.135 4.366 4.320 0.302 0.000 0.273 757 K C -2.516 174.222 176.600 0.229 0.000 0.944 757 K CA 0.246 56.657 56.287 0.207 0.000 0.734 757 K CB -2.011 30.559 32.500 0.117 0.000 1.437 757 K HN 0.294 nan 8.250 nan 0.000 0.454 758 P HA 0.057 nan 4.420 nan 0.000 0.269 758 P C 0.575 178.071 177.300 0.326 0.000 1.209 758 P CA -0.016 63.219 63.100 0.226 0.000 0.776 758 P CB 0.639 32.438 31.700 0.165 0.000 0.876 759 L N 2.177 123.619 121.223 0.365 0.000 2.334 759 L HA 0.388 4.909 4.340 0.302 0.000 0.277 759 L C 0.429 177.534 176.870 0.393 0.000 1.075 759 L CA -0.464 54.609 54.840 0.388 0.000 0.804 759 L CB 1.082 43.343 42.059 0.337 0.000 1.174 759 L HN 0.458 nan 8.230 nan 0.000 0.438 760 W N 5.708 127.111 121.300 0.172 0.000 2.296 760 W HA 0.403 5.241 4.660 0.297 0.000 0.316 760 W C -1.642 174.935 176.519 0.097 0.000 1.022 760 W CA -0.680 56.736 57.345 0.119 0.000 1.324 760 W CB 1.243 30.753 29.460 0.083 0.000 1.227 760 W HN 0.242 nan 8.180 nan 0.000 0.409 761 I N 7.677 128.218 120.570 -0.049 0.000 2.362 761 I HA 0.261 4.612 4.170 0.302 0.000 0.289 761 I C 0.254 176.228 176.117 -0.239 0.000 0.994 761 I CA -1.134 60.116 61.300 -0.083 0.000 1.158 761 I CB 1.224 39.207 38.000 -0.029 0.000 1.315 761 I HN 0.257 nan 8.210 nan 0.000 0.451 762 M N 6.161 125.627 119.600 -0.223 0.000 2.367 762 M HA 0.423 5.084 4.480 0.302 0.000 0.339 762 M C -0.787 175.285 176.300 -0.379 0.000 1.177 762 M CA -0.473 54.711 55.300 -0.195 0.000 1.068 762 M CB 1.272 33.855 32.600 -0.027 0.000 1.602 762 M HN 0.308 nan 8.290 nan 0.000 0.457 763 Y N -0.299 119.967 120.300 -0.056 0.000 2.570 763 Y HA 0.623 5.356 4.550 0.305 0.000 0.345 763 Y C 0.298 176.179 175.900 -0.031 0.000 1.014 763 Y CA -0.482 57.590 58.100 -0.047 0.000 1.063 763 Y CB 2.187 40.611 38.460 -0.059 0.000 1.272 763 Y HN 0.734 nan 8.280 nan 0.000 0.477 764 S N 0.162 115.960 115.700 0.163 0.000 2.607 764 S HA 0.812 5.463 4.470 0.302 0.000 0.273 764 S C -1.257 173.395 174.600 0.087 0.000 1.148 764 S CA -0.741 57.515 58.200 0.093 0.000 0.833 764 S CB 1.845 65.075 63.200 0.050 0.000 1.130 764 S HN 0.695 nan 8.310 nan 0.000 0.470 765 S N 0.083 115.817 115.700 0.055 0.000 2.649 765 S HA 0.373 5.024 4.470 0.302 0.000 0.274 765 S C 0.181 174.797 174.600 0.027 0.000 1.176 765 S CA -0.552 57.676 58.200 0.045 0.000 0.988 765 S CB 1.378 64.593 63.200 0.025 0.000 1.071 765 S HN 0.780 nan 8.310 nan 0.000 0.478 766 E N 2.467 122.686 120.200 0.030 0.000 2.051 766 E HA -0.150 4.381 4.350 0.302 0.000 0.192 766 E C 1.388 177.991 176.600 0.005 0.000 0.991 766 E CA 1.231 57.641 56.400 0.017 0.000 0.799 766 E CB -0.034 29.679 29.700 0.021 0.000 0.748 766 E HN 0.690 nan 8.360 nan 0.000 0.449 767 E N 0.745 120.948 120.200 0.006 0.000 2.150 767 E HA -0.084 4.447 4.350 0.302 0.000 0.193 767 E C 1.593 178.181 176.600 -0.019 0.000 0.985 767 E CA 1.192 57.590 56.400 -0.004 0.000 0.814 767 E CB -0.135 29.564 29.700 -0.002 0.000 0.752 767 E HN 0.246 nan 8.360 nan 0.000 0.466 768 A N -0.379 122.426 122.820 -0.024 0.000 2.218 768 A HA 0.422 4.923 4.320 0.302 0.000 0.209 768 A C 1.460 179.015 177.584 -0.048 0.000 1.168 768 A CA 0.949 52.961 52.037 -0.043 0.000 0.804 768 A CB -0.793 18.181 19.000 -0.044 0.000 0.834 768 A HN 0.401 nan 8.150 nan 0.000 0.482 769 G N -0.413 108.363 108.800 -0.040 0.000 2.574 769 G HA2 -0.344 3.797 3.960 0.302 0.000 0.282 769 G HA3 -0.344 3.797 3.960 0.302 0.000 0.282 769 G C 1.132 176.010 174.900 -0.035 0.000 1.257 769 G CA 0.459 45.526 45.100 -0.054 0.000 0.956 769 G HN 0.660 nan 8.290 nan 0.000 0.560 770 S N 0.227 115.900 115.700 -0.045 0.000 2.402 770 S HA -0.059 4.592 4.470 0.302 0.000 0.233 770 S C 2.719 177.329 174.600 0.017 0.000 1.030 770 S CA 2.288 60.485 58.200 -0.004 0.000 1.003 770 S CB -0.543 62.654 63.200 -0.004 0.000 0.813 770 S HN 1.630 nan 8.310 nan 0.000 0.477 771 A N 0.792 123.611 122.820 -0.002 0.000 2.119 771 A HA 0.232 4.733 4.320 0.302 0.000 0.217 771 A C 1.971 179.562 177.584 0.012 0.000 1.153 771 A CA 1.128 53.180 52.037 0.025 0.000 0.692 771 A CB -0.598 18.421 19.000 0.030 0.000 0.799 771 A HN 0.494 nan 8.150 nan 0.000 0.458 772 G N -0.426 108.373 108.800 -0.000 0.000 3.262 772 G HA2 0.098 4.239 3.960 0.302 0.000 0.228 772 G HA3 0.098 4.239 3.960 0.302 0.000 0.228 772 G C -0.000 174.918 174.900 0.031 0.000 1.197 772 G CA -0.349 44.752 45.100 0.002 0.000 0.819 772 G HN 0.314 nan 8.290 nan 0.000 0.531 773 N N 1.098 119.822 118.700 0.040 0.000 2.558 773 N HA 0.385 5.306 4.740 0.302 0.000 0.233 773 N C -0.335 175.201 175.510 0.044 0.000 1.038 773 N CA -0.098 52.983 53.050 0.052 0.000 0.934 773 N CB 1.684 40.206 38.487 0.058 0.000 1.175 773 N HN 0.139 nan 8.380 nan 0.000 0.512 774 V N -1.227 118.718 119.914 0.051 0.000 3.040 774 V HA 1.003 5.304 4.120 0.302 0.000 0.312 774 V C 0.313 176.412 176.094 0.009 0.000 1.115 774 V CA -1.083 61.229 62.300 0.019 0.000 0.998 774 V CB 1.816 33.643 31.823 0.006 0.000 1.042 774 V HN 0.376 nan 8.190 nan 0.000 0.433 775 G N 1.999 110.741 108.800 -0.096 0.000 2.542 775 G HA2 0.784 4.925 3.960 0.302 0.000 0.311 775 G HA3 0.784 4.925 3.960 0.302 0.000 0.311 775 G C -0.946 173.832 174.900 -0.203 0.000 1.298 775 G CA -0.748 44.199 45.100 -0.254 0.000 0.973 775 G HN 1.492 nan 8.290 nan 0.000 0.487 776 I N -0.824 119.653 120.570 -0.155 0.000 2.646 776 I HA 0.717 5.068 4.170 0.302 0.000 0.299 776 I C -1.032 175.027 176.117 -0.097 0.000 1.036 776 I CA -1.429 59.826 61.300 -0.076 0.000 1.074 776 I CB 2.482 40.512 38.000 0.050 0.000 1.258 776 I HN 0.245 nan 8.210 nan 0.000 0.430 777 I N 4.637 125.195 120.570 -0.019 0.000 2.377 777 I HA 0.361 4.712 4.170 0.302 0.000 0.293 777 I C -0.968 175.254 176.117 0.175 0.000 0.987 777 I CA -0.527 60.826 61.300 0.088 0.000 1.185 777 I CB 1.785 39.843 38.000 0.096 0.000 1.341 777 I HN 0.507 nan 8.210 nan 0.000 0.455 778 F N 7.299 127.294 119.950 0.074 0.000 2.420 778 F HA 0.539 5.247 4.527 0.303 0.000 0.342 778 F C -0.274 175.575 175.800 0.082 0.000 1.113 778 F CA -0.439 57.600 58.000 0.066 0.000 1.059 778 F CB 0.898 39.939 39.000 0.069 0.000 1.128 778 F HN 0.291 nan 8.300 nan 0.000 0.475 779 K N 4.555 124.620 120.400 -0.559 0.000 2.397 779 K HA 0.396 4.897 4.320 0.302 0.000 0.253 779 K C -1.797 174.423 176.600 -0.632 0.000 0.932 779 K CA -0.784 55.272 56.287 -0.385 0.000 0.795 779 K CB 1.333 33.740 32.500 -0.154 0.000 1.159 779 K HN 0.715 nan 8.250 nan 0.000 0.424 780 N N 2.295 120.786 118.700 -0.349 0.000 2.480 780 N HA 0.502 5.423 4.740 0.302 0.000 0.289 780 N C -0.124 175.340 175.510 -0.076 0.000 1.073 780 N CA 0.362 53.277 53.050 -0.226 0.000 0.885 780 N CB 1.840 40.293 38.487 -0.057 0.000 1.421 780 N HN 0.660 nan 8.380 nan 0.000 0.503 781 G N 1.986 110.743 108.800 -0.073 0.000 2.480 781 G HA2 -0.144 3.997 3.960 0.302 0.000 0.193 781 G HA3 -0.144 3.997 3.960 0.302 0.000 0.193 781 G C -0.851 174.029 174.900 -0.035 0.000 1.004 781 G CA -0.401 44.678 45.100 -0.035 0.000 0.696 781 G HN 0.578 nan 8.290 nan 0.000 0.478 782 D N 0.837 121.207 120.400 -0.050 0.000 2.342 782 D HA 0.513 5.334 4.640 0.302 0.000 0.243 782 D C -1.118 175.156 176.300 -0.044 0.000 1.019 782 D CA -0.371 53.608 54.000 -0.036 0.000 0.864 782 D CB 1.821 42.607 40.800 -0.023 0.000 1.315 782 D HN 0.038 nan 8.370 nan 0.000 0.468 783 D N 1.144 121.525 120.400 -0.032 0.000 2.351 783 D HA 0.129 4.950 4.640 0.302 0.000 0.251 783 D C 0.551 176.839 176.300 -0.021 0.000 1.137 783 D CA -0.008 53.976 54.000 -0.027 0.000 0.879 783 D CB 0.997 41.779 40.800 -0.031 0.000 1.181 783 D HN 0.260 nan 8.370 nan 0.000 0.448 784 L N 3.572 124.790 121.223 -0.007 0.000 2.664 784 L HA 0.202 4.723 4.340 0.302 0.000 0.233 784 L C 2.287 179.170 176.870 0.021 0.000 1.113 784 L CA -0.229 54.621 54.840 0.016 0.000 0.896 784 L CB 0.215 42.287 42.059 0.022 0.000 1.163 784 L HN 0.287 nan 8.230 nan 0.000 0.497 785 R N 0.221 120.725 120.500 0.007 0.000 2.113 785 R HA -0.290 4.231 4.340 0.302 0.000 0.244 785 R C 2.097 178.370 176.300 -0.045 0.000 1.142 785 R CA 2.115 58.213 56.100 -0.004 0.000 0.953 785 R CB -0.362 29.934 30.300 -0.007 0.000 0.860 785 R HN 0.328 nan 8.270 nan 0.000 0.438 786 Q N 0.830 120.571 119.800 -0.098 0.000 2.050 786 Q HA -0.185 4.336 4.340 0.302 0.000 0.202 786 Q C 1.535 177.467 176.000 -0.114 0.000 0.980 786 Q CA 1.950 57.627 55.803 -0.209 0.000 0.840 786 Q CB 0.042 28.576 28.738 -0.341 0.000 0.898 786 Q HN 0.340 nan 8.270 nan 0.000 0.424 787 D N 0.063 120.472 120.400 0.015 0.000 2.123 787 D HA -0.212 4.609 4.640 0.302 0.000 0.196 787 D C 1.883 178.222 176.300 0.065 0.000 0.992 787 D CA 1.467 55.562 54.000 0.159 0.000 0.833 787 D CB -0.169 40.796 40.800 0.274 0.000 0.954 787 D HN 0.424 nan 8.370 nan 0.000 0.455 788 M N 0.573 120.196 119.600 0.037 0.000 2.086 788 M HA -0.184 4.477 4.480 0.302 0.000 0.261 788 M C 2.209 178.479 176.300 -0.050 0.000 1.067 788 M CA 1.131 56.438 55.300 0.011 0.000 1.116 788 M CB 0.013 32.638 32.600 0.041 0.000 1.348 788 M HN -0.012 nan 8.290 nan 0.000 0.407 789 L N 0.236 121.428 121.223 -0.052 0.000 2.017 789 L HA -0.157 4.364 4.340 0.302 0.000 0.208 789 L C 2.148 178.991 176.870 -0.044 0.000 1.073 789 L CA 2.258 57.062 54.840 -0.060 0.000 0.745 789 L CB -1.166 40.894 42.059 0.001 0.000 0.894 789 L HN 0.319 nan 8.230 nan 0.000 0.432 790 T N -0.115 114.409 114.554 -0.050 0.000 2.708 790 T HA -0.185 4.346 4.350 0.302 0.000 0.266 790 T C 1.973 176.508 174.700 -0.275 0.000 1.037 790 T CA 1.911 63.912 62.100 -0.165 0.000 1.146 790 T CB -0.367 68.196 68.868 -0.507 0.000 0.865 790 T HN 0.298 nan 8.240 nan 0.000 0.435 791 L N 0.659 121.721 121.223 -0.268 0.000 2.141 791 L HA -0.111 4.410 4.340 0.302 0.000 0.209 791 L C 2.916 179.687 176.870 -0.165 0.000 1.094 791 L CA 1.239 55.952 54.840 -0.211 0.000 0.763 791 L CB -0.507 41.427 42.059 -0.209 0.000 0.908 791 L HN 0.309 nan 8.230 nan 0.000 0.437 792 Q N -0.889 118.820 119.800 -0.152 0.000 2.079 792 Q HA -0.168 4.354 4.340 0.302 0.000 0.200 792 Q C 2.317 178.242 176.000 -0.126 0.000 0.974 792 Q CA 1.148 56.852 55.803 -0.166 0.000 0.840 792 Q CB -0.061 28.558 28.738 -0.199 0.000 0.898 792 Q HN 0.451 nan 8.270 nan 0.000 0.430 793 M N 0.069 119.629 119.600 -0.065 0.000 2.213 793 M HA -0.109 4.552 4.480 0.302 0.000 0.263 793 M C 2.113 178.424 176.300 0.017 0.000 1.062 793 M CA 1.294 56.635 55.300 0.067 0.000 1.105 793 M CB -0.645 32.068 32.600 0.188 0.000 1.385 793 M HN 0.239 nan 8.290 nan 0.000 0.417 794 I N -0.030 120.496 120.570 -0.074 0.000 2.353 794 I HA -0.297 4.054 4.170 0.302 0.000 0.248 794 I C 2.619 178.639 176.117 -0.161 0.000 1.119 794 I CA 1.112 62.339 61.300 -0.122 0.000 1.417 794 I CB -0.378 37.584 38.000 -0.063 0.000 1.078 794 I HN 0.361 nan 8.210 nan 0.000 0.421 795 Q N 1.167 120.886 119.800 -0.134 0.000 2.167 795 Q HA -0.221 4.300 4.340 0.302 0.000 0.202 795 Q C 2.185 178.080 176.000 -0.175 0.000 0.970 795 Q CA 1.429 57.150 55.803 -0.138 0.000 0.855 795 Q CB -0.140 28.519 28.738 -0.131 0.000 0.911 795 Q HN 0.412 nan 8.270 nan 0.000 0.438 796 L N 0.152 121.270 121.223 -0.174 0.000 2.046 796 L HA -0.075 4.446 4.340 0.302 0.000 0.208 796 L C 2.092 178.799 176.870 -0.270 0.000 1.077 796 L CA 1.798 56.516 54.840 -0.203 0.000 0.747 796 L CB -0.426 41.522 42.059 -0.185 0.000 0.896 796 L HN 0.380 nan 8.230 nan 0.000 0.432 797 M N -0.705 118.698 119.600 -0.329 0.000 2.080 797 M HA -0.251 4.410 4.480 0.302 0.000 0.260 797 M C 2.026 177.685 176.300 -1.068 0.000 1.068 797 M CA 2.286 57.084 55.300 -0.835 0.000 1.109 797 M CB -0.630 31.287 32.600 -1.139 0.000 1.342 797 M HN 0.319 nan 8.290 nan 0.000 0.405 798 D N -0.066 119.987 120.400 -0.578 0.000 2.123 798 D HA -0.143 4.678 4.640 0.302 0.000 0.196 798 D C 1.711 177.970 176.300 -0.069 0.000 0.992 798 D CA 1.228 55.162 54.000 -0.110 0.000 0.833 798 D CB 0.111 40.902 40.800 -0.015 0.000 0.954 798 D HN 0.092 nan 8.370 nan 0.000 0.455 799 V N 0.279 120.099 119.914 -0.158 0.000 2.343 799 V HA -0.217 4.084 4.120 0.302 0.000 0.247 799 V C 2.579 178.591 176.094 -0.136 0.000 1.051 799 V CA 1.369 63.590 62.300 -0.131 0.000 1.036 799 V CB -0.465 31.259 31.823 -0.164 0.000 0.654 799 V HN 0.319 nan 8.190 nan 0.000 0.451 800 L N -1.750 119.330 121.223 -0.237 0.000 2.056 800 L HA -0.141 4.380 4.340 0.302 0.000 0.207 800 L C 2.595 179.464 176.870 -0.002 0.000 1.078 800 L CA 1.495 56.192 54.840 -0.238 0.000 0.749 800 L CB -0.630 41.189 42.059 -0.399 0.000 0.901 800 L HN 0.385 nan 8.230 nan 0.000 0.433 801 W N 1.082 122.367 121.300 -0.026 0.000 2.335 801 W HA -0.155 4.686 4.660 0.301 0.000 0.311 801 W C 2.526 179.031 176.519 -0.024 0.000 1.213 801 W CA 0.902 58.238 57.345 -0.015 0.000 1.274 801 W CB -0.843 28.603 29.460 -0.024 0.000 1.148 801 W HN 0.134 nan 8.180 nan 0.000 0.498 802 K N 0.130 120.647 120.400 0.195 0.000 2.211 802 K HA -0.165 4.336 4.320 0.302 0.000 0.203 802 K C 1.913 178.543 176.600 0.051 0.000 1.050 802 K CA 1.124 57.467 56.287 0.094 0.000 0.945 802 K CB -0.337 32.192 32.500 0.050 0.000 0.732 802 K HN 0.257 nan 8.250 nan 0.000 0.451 803 Q N 0.411 120.235 119.800 0.041 0.000 2.291 803 Q HA -0.095 4.426 4.340 0.302 0.000 0.205 803 Q C 0.549 176.581 176.000 0.053 0.000 0.970 803 Q CA 0.803 56.621 55.803 0.024 0.000 0.876 803 Q CB 0.341 29.080 28.738 0.003 0.000 0.935 803 Q HN 0.260 nan 8.270 nan 0.000 0.455 804 E N -0.611 119.640 120.200 0.086 0.000 2.437 804 E HA 0.127 4.658 4.350 0.302 0.000 0.195 804 E C 0.522 177.161 176.600 0.064 0.000 1.029 804 E CA 0.235 56.686 56.400 0.085 0.000 0.948 804 E CB 0.765 30.535 29.700 0.117 0.000 1.082 804 E HN 0.401 nan 8.360 nan 0.000 0.456 805 G N 1.950 110.781 108.800 0.051 0.000 2.203 805 G HA2 -0.294 3.847 3.960 0.302 0.000 0.263 805 G HA3 -0.294 3.847 3.960 0.302 0.000 0.263 805 G C -0.029 174.889 174.900 0.031 0.000 1.012 805 G CA 0.523 45.646 45.100 0.038 0.000 0.749 805 G HN 0.287 nan 8.290 nan 0.000 0.512 806 L N 0.923 122.173 121.223 0.045 0.000 2.277 806 L HA 0.656 5.177 4.340 0.302 0.000 0.284 806 L C -0.588 176.286 176.870 0.006 0.000 1.028 806 L CA -1.213 53.624 54.840 -0.006 0.000 0.835 806 L CB 1.532 43.561 42.059 -0.050 0.000 1.215 806 L HN 0.090 nan 8.230 nan 0.000 0.425 807 D N 4.834 125.209 120.400 -0.042 0.000 2.443 807 D HA 0.195 5.016 4.640 0.302 0.000 0.221 807 D C 0.470 176.701 176.300 -0.115 0.000 1.097 807 D CA -0.066 53.910 54.000 -0.038 0.000 0.865 807 D CB 0.799 41.575 40.800 -0.040 0.000 1.034 807 D HN 0.603 nan 8.370 nan 0.000 0.511 808 L N 3.831 124.996 121.223 -0.096 0.000 2.653 808 L HA 0.179 4.700 4.340 0.302 0.000 0.232 808 L C 0.618 177.463 176.870 -0.042 0.000 1.169 808 L CA -0.275 54.469 54.840 -0.160 0.000 0.951 808 L CB -0.147 41.735 42.059 -0.296 0.000 1.181 808 L HN 0.267 nan 8.230 nan 0.000 0.460 809 R N -0.756 119.729 120.500 -0.024 0.000 3.525 809 R HA -0.148 4.373 4.340 0.302 0.000 0.276 809 R C -0.059 176.307 176.300 0.109 0.000 1.116 809 R CA 0.650 56.751 56.100 0.002 0.000 0.745 809 R CB -2.026 28.268 30.300 -0.009 0.000 1.185 809 R HN 0.300 nan 8.270 nan 0.000 0.454 810 M N -0.080 119.599 119.600 0.132 0.000 2.232 810 M HA 0.115 4.776 4.480 0.302 0.000 0.321 810 M C 0.907 177.344 176.300 0.228 0.000 1.101 810 M CA 0.666 56.102 55.300 0.226 0.000 1.181 810 M CB 0.206 32.884 32.600 0.130 0.000 1.432 810 M HN -0.049 nan 8.290 nan 0.000 0.457 811 T N 3.421 118.176 114.554 0.336 0.000 3.253 811 T HA 0.345 4.876 4.350 0.302 0.000 0.391 811 T C -2.249 172.542 174.700 0.151 0.000 1.527 811 T CA -1.012 61.176 62.100 0.146 0.000 1.268 811 T CB 0.105 68.908 68.868 -0.108 0.000 1.126 811 T HN 0.376 nan 8.240 nan 0.000 0.620 812 P HA 0.161 nan 4.420 nan 0.000 0.244 812 P C -0.525 176.767 177.300 -0.012 0.000 1.769 812 P CA -0.534 62.565 63.100 -0.002 0.000 1.102 812 P CB -0.762 30.936 31.700 -0.003 0.000 1.937 813 Y N -0.092 120.222 120.300 0.022 0.000 2.336 813 Y HA 0.587 5.319 4.550 0.302 0.000 0.331 813 Y C 0.895 176.835 175.900 0.067 0.000 1.211 813 Y CA -1.394 56.714 58.100 0.014 0.000 1.346 813 Y CB -0.010 38.426 38.460 -0.040 0.000 1.271 813 Y HN 0.248 nan 8.280 nan 0.000 0.538 814 G N 0.887 109.835 108.800 0.246 0.000 2.432 814 G HA2 0.292 4.433 3.960 0.302 0.000 0.239 814 G HA3 0.292 4.433 3.960 0.302 0.000 0.239 814 G C -1.155 173.901 174.900 0.260 0.000 1.291 814 G CA -0.127 45.094 45.100 0.202 0.000 0.863 814 G HN 1.094 nan 8.290 nan 0.000 0.560 815 C N 3.537 122.943 119.300 0.176 0.000 2.716 815 C HA 0.666 5.307 4.460 0.302 0.000 0.366 815 C C -1.164 173.912 174.990 0.143 0.000 1.073 815 C CA -0.896 58.229 59.018 0.178 0.000 1.260 815 C CB 0.480 28.333 27.740 0.187 0.000 1.755 815 C HN 0.874 nan 8.230 nan 0.000 0.475 816 L N 8.744 130.037 121.223 0.117 0.000 2.555 816 L HA 0.638 5.159 4.340 0.302 0.000 0.264 816 L C -2.593 174.302 176.870 0.042 0.000 0.972 816 L CA -1.119 53.786 54.840 0.109 0.000 0.876 816 L CB 2.033 44.152 42.059 0.100 0.000 1.216 816 L HN 0.492 nan 8.230 nan 0.000 0.415 817 P HA 0.369 nan 4.420 nan 0.000 0.271 817 P C 0.062 177.400 177.300 0.063 0.000 1.216 817 P CA -0.120 63.013 63.100 0.055 0.000 0.776 817 P CB 0.840 32.598 31.700 0.098 0.000 0.881 818 T N -1.011 113.561 114.554 0.030 0.000 2.958 818 T HA 0.508 5.039 4.350 0.302 0.000 0.256 818 T C 0.664 175.488 174.700 0.207 0.000 0.983 818 T CA 0.295 62.438 62.100 0.071 0.000 0.924 818 T CB -0.009 68.753 68.868 -0.176 0.000 1.136 818 T HN 0.529 nan 8.240 nan 0.000 0.506 819 G N 0.487 109.357 108.800 0.117 0.000 2.570 819 G HA2 0.422 4.563 3.960 0.302 0.000 0.310 819 G HA3 0.422 4.563 3.960 0.302 0.000 0.310 819 G C -2.043 172.799 174.900 -0.096 0.000 1.266 819 G CA -0.621 44.532 45.100 0.088 0.000 0.825 819 G HN 0.031 nan 8.290 nan 0.000 0.483 820 D N 0.800 121.003 120.400 -0.329 0.000 2.368 820 D HA 0.147 4.968 4.640 0.302 0.000 0.268 820 D C 1.102 177.218 176.300 -0.307 0.000 1.298 820 D CA 0.237 53.797 54.000 -0.733 0.000 0.938 820 D CB -0.060 40.342 40.800 -0.664 0.000 1.101 820 D HN 0.504 nan 8.370 nan 0.000 0.509 821 R N 2.045 122.414 120.500 -0.217 0.000 3.502 821 R HA -0.168 4.353 4.340 0.302 0.000 0.266 821 R C -0.429 175.790 176.300 -0.134 0.000 1.077 821 R CA 0.861 56.891 56.100 -0.116 0.000 0.718 821 R CB -2.088 28.158 30.300 -0.091 0.000 1.120 821 R HN 0.397 nan 8.270 nan 0.000 0.457 822 T N -0.955 113.517 114.554 -0.136 0.000 2.916 822 T HA 0.720 5.251 4.350 0.302 0.000 0.298 822 T C 0.227 174.826 174.700 -0.170 0.000 1.031 822 T CA -0.041 61.938 62.100 -0.202 0.000 0.993 822 T CB 2.325 71.133 68.868 -0.100 0.000 1.045 822 T HN 0.451 nan 8.240 nan 0.000 0.454 823 G N 1.342 109.976 108.800 -0.277 0.000 2.489 823 G HA2 0.637 4.778 3.960 0.302 0.000 0.305 823 G HA3 0.637 4.778 3.960 0.302 0.000 0.305 823 G C -2.337 172.466 174.900 -0.162 0.000 1.311 823 G CA -0.752 44.251 45.100 -0.161 0.000 0.813 823 G HN 0.705 nan 8.290 nan 0.000 0.480 824 L N -0.260 120.931 121.223 -0.054 0.000 2.370 824 L HA 0.705 5.226 4.340 0.302 0.000 0.266 824 L C -0.922 175.984 176.870 0.059 0.000 1.002 824 L CA -0.870 53.977 54.840 0.011 0.000 0.818 824 L CB 2.374 44.444 42.059 0.018 0.000 1.325 824 L HN 0.386 nan 8.230 nan 0.000 0.418 825 I N 1.008 121.626 120.570 0.079 0.000 2.509 825 I HA 0.255 4.606 4.170 0.302 0.000 0.293 825 I C -0.068 176.099 176.117 0.082 0.000 1.020 825 I CA -0.372 61.005 61.300 0.128 0.000 1.088 825 I CB 2.111 40.189 38.000 0.129 0.000 1.267 825 I HN 0.561 nan 8.210 nan 0.000 0.430 826 E N 5.148 125.431 120.200 0.138 0.000 2.290 826 E HA 0.258 4.789 4.350 0.302 0.000 0.277 826 E C -1.110 175.462 176.600 -0.046 0.000 1.035 826 E CA -0.498 55.941 56.400 0.065 0.000 0.873 826 E CB 1.082 30.866 29.700 0.140 0.000 1.029 826 E HN 0.360 nan 8.360 nan 0.000 0.419 827 V N 5.354 125.188 119.914 -0.133 0.000 2.488 827 V HA 0.041 4.342 4.120 0.302 0.000 0.277 827 V C 0.104 176.128 176.094 -0.116 0.000 1.046 827 V CA -0.454 61.720 62.300 -0.210 0.000 0.986 827 V CB 1.268 32.799 31.823 -0.486 0.000 0.989 827 V HN 0.466 nan 8.190 nan 0.000 0.475 828 V N 7.535 127.402 119.914 -0.079 0.000 2.353 828 V HA 0.275 4.576 4.120 0.302 0.000 0.264 828 V C 0.333 176.483 176.094 0.094 0.000 1.049 828 V CA -0.220 62.066 62.300 -0.023 0.000 0.896 828 V CB 0.655 32.370 31.823 -0.179 0.000 1.025 828 V HN 0.610 nan 8.190 nan 0.000 0.475 829 L N 4.672 125.929 121.223 0.058 0.000 2.472 829 L HA 0.393 4.914 4.340 0.302 0.000 0.260 829 L C 1.005 177.933 176.870 0.097 0.000 1.209 829 L CA -0.307 54.526 54.840 -0.011 0.000 0.817 829 L CB -0.056 41.866 42.059 -0.229 0.000 1.106 829 L HN 0.813 nan 8.230 nan 0.000 0.479 830 H N -1.668 117.534 119.070 0.220 0.000 2.903 830 H HA -0.142 4.596 4.556 0.303 0.000 0.285 830 H C -0.377 175.128 175.328 0.295 0.000 1.231 830 H CA 0.460 56.641 56.048 0.222 0.000 1.135 830 H CB -1.581 28.281 29.762 0.167 0.000 1.328 830 H HN 0.619 nan 8.280 nan 0.000 0.388 831 S N -1.194 114.720 115.700 0.355 0.000 2.632 831 S HA 0.769 5.420 4.470 0.302 0.000 0.289 831 S C -0.828 173.882 174.600 0.183 0.000 1.115 831 S CA -0.996 57.403 58.200 0.332 0.000 0.889 831 S CB 3.888 67.323 63.200 0.392 0.000 1.116 831 S HN 0.222 nan 8.310 nan 0.000 0.486 832 D N 0.175 120.577 120.400 0.003 0.000 2.599 832 D HA 0.515 5.336 4.640 0.302 0.000 0.252 832 D C -0.821 175.318 176.300 -0.267 0.000 1.232 832 D CA -0.184 53.739 54.000 -0.128 0.000 0.819 832 D CB 2.296 42.996 40.800 -0.166 0.000 1.401 832 D HN 0.795 nan 8.370 nan 0.000 0.429 833 T N -0.048 114.359 114.554 -0.245 0.000 2.899 833 T HA 0.209 4.740 4.350 0.302 0.000 0.295 833 T C 1.972 176.511 174.700 -0.269 0.000 1.033 833 T CA -0.675 61.271 62.100 -0.256 0.000 1.084 833 T CB 0.544 69.303 68.868 -0.181 0.000 0.979 833 T HN 0.268 nan 8.240 nan 0.000 0.532 834 I N 1.867 122.304 120.570 -0.221 0.000 2.151 834 I HA -0.214 4.137 4.170 0.302 0.000 0.243 834 I C 2.936 178.986 176.117 -0.111 0.000 1.080 834 I CA 1.887 63.105 61.300 -0.136 0.000 1.339 834 I CB -2.218 35.791 38.000 0.015 0.000 1.039 834 I HN 0.917 nan 8.210 nan 0.000 0.409 835 A N 1.066 123.833 122.820 -0.087 0.000 1.908 835 A HA -0.240 4.261 4.320 0.302 0.000 0.218 835 A C 2.133 179.663 177.584 -0.091 0.000 1.181 835 A CA 2.083 54.080 52.037 -0.066 0.000 0.627 835 A CB -0.744 18.227 19.000 -0.049 0.000 0.818 835 A HN 0.457 nan 8.150 nan 0.000 0.445 836 N N -0.031 118.593 118.700 -0.126 0.000 2.120 836 N HA -0.083 4.838 4.740 0.302 0.000 0.188 836 N C 1.610 177.031 175.510 -0.148 0.000 1.024 836 N CA 1.564 54.536 53.050 -0.129 0.000 0.852 836 N CB -0.468 37.934 38.487 -0.142 0.000 1.003 836 N HN 0.559 nan 8.380 nan 0.000 0.424 837 I N 1.239 121.666 120.570 -0.239 0.000 2.394 837 I HA -0.196 4.155 4.170 0.302 0.000 0.251 837 I C 1.767 177.807 176.117 -0.127 0.000 1.136 837 I CA 0.966 62.095 61.300 -0.285 0.000 1.425 837 I CB -0.116 37.528 38.000 -0.593 0.000 1.079 837 I HN 0.111 nan 8.210 nan 0.000 0.425 838 Q N 0.242 119.985 119.800 -0.094 0.000 2.444 838 Q HA 0.030 4.551 4.340 0.302 0.000 0.206 838 Q C 2.068 178.051 176.000 -0.028 0.000 0.948 838 Q CA 0.305 56.086 55.803 -0.037 0.000 0.946 838 Q CB 0.185 28.913 28.738 -0.017 0.000 1.027 838 Q HN 0.572 nan 8.270 nan 0.000 0.513 839 L N 0.484 121.683 121.223 -0.040 0.000 2.265 839 L HA -0.125 4.396 4.340 0.302 0.000 0.215 839 L C 0.538 177.398 176.870 -0.016 0.000 1.117 839 L CA 0.252 55.074 54.840 -0.029 0.000 0.782 839 L CB -0.353 41.684 42.059 -0.037 0.000 0.914 839 L HN 0.390 nan 8.230 nan 0.000 0.441 840 N N 1.300 119.996 118.700 -0.007 0.000 2.696 840 N HA -0.203 4.718 4.740 0.302 0.000 0.256 840 N C -0.328 175.183 175.510 0.002 0.000 1.031 840 N CA 0.612 53.665 53.050 0.005 0.000 0.730 840 N CB -0.834 37.655 38.487 0.002 0.000 0.894 840 N HN 0.285 nan 8.380 nan 0.000 0.544 841 K N 0.366 120.770 120.400 0.008 0.000 2.326 841 K HA 0.230 4.731 4.320 0.302 0.000 0.275 841 K C 0.818 177.423 176.600 0.008 0.000 1.018 841 K CA -0.018 56.272 56.287 0.005 0.000 0.962 841 K CB 0.561 33.065 32.500 0.008 0.000 0.953 841 K HN 0.500 nan 8.250 nan 0.000 0.475 842 S N 1.564 117.264 115.700 -0.001 0.000 2.624 842 S HA 0.088 4.739 4.470 0.302 0.000 0.263 842 S C 0.635 175.237 174.600 0.003 0.000 1.287 842 S CA -0.271 57.928 58.200 -0.002 0.000 0.990 842 S CB 0.658 63.852 63.200 -0.010 0.000 0.950 842 S HN 0.906 nan 8.310 nan 0.000 0.561 843 N N -1.419 117.283 118.700 0.003 0.000 2.878 843 N HA -0.139 4.782 4.740 0.302 0.000 0.247 843 N C -0.463 175.054 175.510 0.012 0.000 1.021 843 N CA 1.458 54.510 53.050 0.004 0.000 0.873 843 N CB -1.101 37.387 38.487 0.001 0.000 1.128 843 N HN 0.636 nan 8.380 nan 0.000 0.571 844 M N -0.988 118.624 119.600 0.020 0.000 2.849 844 M HA 0.605 5.266 4.480 0.302 0.000 0.299 844 M C 1.684 178.002 176.300 0.030 0.000 1.223 844 M CA 0.045 55.366 55.300 0.034 0.000 0.856 844 M CB 0.137 32.772 32.600 0.058 0.000 1.680 844 M HN -0.032 nan 8.290 nan 0.000 0.506 845 A N 0.566 123.406 122.820 0.033 0.000 1.873 845 A HA 0.110 4.611 4.320 0.302 0.000 0.215 845 A C 1.749 179.355 177.584 0.037 0.000 1.186 845 A CA 1.894 53.943 52.037 0.019 0.000 0.616 845 A CB -0.904 18.091 19.000 -0.008 0.000 0.823 845 A HN 0.879 nan 8.150 nan 0.000 0.442 846 A N -0.492 122.375 122.820 0.078 0.000 2.250 846 A HA 0.267 4.768 4.320 0.302 0.000 0.208 846 A C 0.892 178.520 177.584 0.074 0.000 1.254 846 A CA 0.545 52.646 52.037 0.107 0.000 0.858 846 A CB -1.049 18.084 19.000 0.221 0.000 0.820 846 A HN 0.258 nan 8.150 nan 0.000 0.484 847 T N 1.961 116.541 114.554 0.042 0.000 2.761 847 T HA 0.440 4.971 4.350 0.302 0.000 0.287 847 T C 0.349 175.052 174.700 0.004 0.000 0.931 847 T CA 0.708 62.819 62.100 0.018 0.000 1.164 847 T CB 0.238 69.109 68.868 0.004 0.000 0.876 847 T HN 0.503 nan 8.240 nan 0.000 0.534 848 A N 2.840 125.659 122.820 -0.003 0.000 2.330 848 A HA 0.814 5.315 4.320 0.302 0.000 0.329 848 A C 1.320 178.842 177.584 -0.104 0.000 1.135 848 A CA -0.377 51.651 52.037 -0.016 0.000 0.817 848 A CB 0.857 19.876 19.000 0.033 0.000 1.269 848 A HN 0.824 nan 8.150 nan 0.000 0.469 849 A N 0.392 123.100 122.820 -0.187 0.000 1.968 849 A HA 0.396 4.897 4.320 0.302 0.000 0.217 849 A C 0.108 177.184 177.584 -0.847 0.000 1.169 849 A CA 1.098 52.808 52.037 -0.544 0.000 0.638 849 A CB -0.315 18.278 19.000 -0.678 0.000 0.812 849 A HN 0.674 nan 8.150 nan 0.000 0.446 850 F N -2.301 117.635 119.950 -0.024 0.000 2.569 850 F HA 0.365 5.073 4.527 0.302 0.000 0.312 850 F C 0.695 176.469 175.800 -0.044 0.000 1.109 850 F CA -0.966 57.010 58.000 -0.041 0.000 0.919 850 F CB 1.399 40.362 39.000 -0.061 0.000 1.211 850 F HN 0.049 nan 8.300 nan 0.000 0.446 851 N N 1.958 120.733 118.700 0.125 0.000 2.205 851 N HA -0.225 4.696 4.740 0.302 0.000 0.186 851 N C 1.876 177.407 175.510 0.035 0.000 1.015 851 N CA 1.712 54.800 53.050 0.063 0.000 0.862 851 N CB 0.046 38.566 38.487 0.056 0.000 0.986 851 N HN 0.698 nan 8.380 nan 0.000 0.429 852 K N -0.580 119.821 120.400 0.002 0.000 2.360 852 K HA -0.140 4.361 4.320 0.302 0.000 0.201 852 K C 0.495 176.958 176.600 -0.228 0.000 1.046 852 K CA 1.530 57.713 56.287 -0.173 0.000 0.940 852 K CB 0.130 32.430 32.500 -0.333 0.000 0.748 852 K HN 0.198 nan 8.250 nan 0.000 0.465 853 D N 0.662 121.036 120.400 -0.042 0.000 2.354 853 D HA 0.118 4.939 4.640 0.302 0.000 0.209 853 D C 1.777 178.123 176.300 0.077 0.000 1.015 853 D CA 0.668 54.701 54.000 0.055 0.000 0.867 853 D CB 0.410 41.288 40.800 0.131 0.000 0.933 853 D HN 0.372 nan 8.370 nan 0.000 0.520 854 A N 1.126 123.982 122.820 0.059 0.000 1.865 854 A HA -0.163 4.338 4.320 0.302 0.000 0.217 854 A C 2.254 179.904 177.584 0.110 0.000 1.191 854 A CA 0.890 52.972 52.037 0.075 0.000 0.623 854 A CB -0.821 18.206 19.000 0.045 0.000 0.826 854 A HN 0.237 nan 8.150 nan 0.000 0.444 855 L N -1.342 119.930 121.223 0.082 0.000 2.042 855 L HA -0.183 4.338 4.340 0.302 0.000 0.210 855 L C 2.584 179.535 176.870 0.135 0.000 1.076 855 L CA 1.644 56.539 54.840 0.093 0.000 0.749 855 L CB -0.268 41.829 42.059 0.064 0.000 0.893 855 L HN 0.503 nan 8.230 nan 0.000 0.432 856 L N -0.161 121.113 121.223 0.086 0.000 2.109 856 L HA -0.144 4.377 4.340 0.302 0.000 0.207 856 L C 2.088 179.011 176.870 0.089 0.000 1.086 856 L CA 1.512 56.385 54.840 0.054 0.000 0.760 856 L CB -0.675 41.409 42.059 0.042 0.000 0.910 856 L HN 0.212 nan 8.230 nan 0.000 0.437 857 N N -1.083 117.686 118.700 0.115 0.000 2.166 857 N HA -0.255 4.666 4.740 0.302 0.000 0.186 857 N C 1.442 177.035 175.510 0.138 0.000 1.019 857 N CA 1.579 54.692 53.050 0.105 0.000 0.856 857 N CB -0.602 37.946 38.487 0.103 0.000 0.993 857 N HN 0.579 nan 8.380 nan 0.000 0.426 858 W N 1.548 122.852 121.300 0.006 0.000 2.355 858 W HA 0.015 4.855 4.660 0.301 0.000 0.309 858 W C 1.878 178.405 176.519 0.014 0.000 1.206 858 W CA 0.969 58.322 57.345 0.013 0.000 1.284 858 W CB -0.425 29.047 29.460 0.019 0.000 1.145 858 W HN -0.022 nan 8.180 nan 0.000 0.502 859 L N 0.667 122.017 121.223 0.211 0.000 2.042 859 L HA -0.271 4.250 4.340 0.302 0.000 0.210 859 L C 2.527 179.353 176.870 -0.074 0.000 1.076 859 L CA 1.782 56.647 54.840 0.041 0.000 0.749 859 L CB -0.921 41.198 42.059 0.101 0.000 0.893 859 L HN -0.037 nan 8.230 nan 0.000 0.432 860 K N -0.053 120.328 120.400 -0.032 0.000 2.063 860 K HA -0.192 4.309 4.320 0.302 0.000 0.208 860 K C 2.292 178.838 176.600 -0.089 0.000 1.048 860 K CA 1.928 58.189 56.287 -0.045 0.000 0.928 860 K CB -0.234 32.258 32.500 -0.013 0.000 0.713 860 K HN 0.406 nan 8.250 nan 0.000 0.442 861 S N 0.715 116.336 115.700 -0.131 0.000 2.428 861 S HA -0.022 4.629 4.470 0.302 0.000 0.230 861 S C 1.490 175.953 174.600 -0.229 0.000 1.014 861 S CA 0.722 58.825 58.200 -0.161 0.000 0.957 861 S CB 0.057 63.159 63.200 -0.163 0.000 0.784 861 S HN 0.095 nan 8.310 nan 0.000 0.499 862 K N 1.812 122.006 120.400 -0.344 0.000 2.404 862 K HA 0.273 4.774 4.320 0.302 0.000 0.194 862 K C -0.127 176.357 176.600 -0.192 0.000 1.023 862 K CA 0.117 56.199 56.287 -0.341 0.000 1.094 862 K CB -0.130 32.025 32.500 -0.575 0.000 0.841 862 K HN 0.430 nan 8.250 nan 0.000 0.523 863 N N 1.446 120.063 118.700 -0.138 0.000 2.697 863 N HA 0.186 5.107 4.740 0.302 0.000 0.253 863 N C -2.924 172.555 175.510 -0.053 0.000 1.604 863 N CA -0.935 52.069 53.050 -0.076 0.000 0.772 863 N CB 1.937 40.395 38.487 -0.049 0.000 1.267 863 N HN -0.062 nan 8.380 nan 0.000 0.510 864 P HA 0.117 nan 4.420 nan 0.000 0.270 864 P C 1.192 178.479 177.300 -0.022 0.000 1.223 864 P CA 0.556 63.635 63.100 -0.036 0.000 0.785 864 P CB 0.696 32.374 31.700 -0.036 0.000 0.923 865 G N 2.090 110.881 108.800 -0.016 0.000 2.684 865 G HA2 -0.401 3.740 3.960 0.302 0.000 0.332 865 G HA3 -0.401 3.740 3.960 0.302 0.000 0.332 865 G C 1.067 175.965 174.900 -0.004 0.000 1.306 865 G CA 0.874 45.969 45.100 -0.008 0.000 1.002 865 G HN 0.561 nan 8.290 nan 0.000 0.545 866 E N 0.828 121.028 120.200 0.000 0.000 2.267 866 E HA 0.053 4.584 4.350 0.302 0.000 0.197 866 E C 2.815 179.422 176.600 0.010 0.000 0.998 866 E CA 1.066 57.470 56.400 0.007 0.000 0.830 866 E CB -0.275 29.430 29.700 0.008 0.000 0.751 866 E HN 0.675 nan 8.360 nan 0.000 0.491 867 A N 0.767 123.590 122.820 0.005 0.000 2.119 867 A HA -0.090 4.411 4.320 0.302 0.000 0.217 867 A C 2.023 179.615 177.584 0.013 0.000 1.153 867 A CA 0.472 52.514 52.037 0.009 0.000 0.692 867 A CB -0.265 18.735 19.000 -0.001 0.000 0.799 867 A HN 0.228 nan 8.150 nan 0.000 0.458 868 L N 0.178 121.404 121.223 0.006 0.000 2.046 868 L HA -0.155 4.366 4.340 0.302 0.000 0.208 868 L C 1.592 178.475 176.870 0.022 0.000 1.077 868 L CA 2.516 57.361 54.840 0.007 0.000 0.747 868 L CB -0.709 41.348 42.059 -0.004 0.000 0.896 868 L HN 0.304 nan 8.230 nan 0.000 0.432 869 D N -0.476 119.940 120.400 0.025 0.000 2.133 869 D HA -0.250 4.571 4.640 0.302 0.000 0.192 869 D C 2.317 178.653 176.300 0.060 0.000 1.001 869 D CA 1.484 55.507 54.000 0.039 0.000 0.844 869 D CB -0.112 40.711 40.800 0.038 0.000 0.944 869 D HN 0.208 nan 8.370 nan 0.000 0.447 870 R N 0.702 121.238 120.500 0.060 0.000 2.092 870 R HA 0.071 4.592 4.340 0.302 0.000 0.231 870 R C 1.900 178.257 176.300 0.094 0.000 1.119 870 R CA 1.560 57.706 56.100 0.077 0.000 0.970 870 R CB -0.696 29.647 30.300 0.071 0.000 0.864 870 R HN 0.095 nan 8.270 nan 0.000 0.440 871 A N 0.619 123.489 122.820 0.083 0.000 1.883 871 A HA -0.123 4.378 4.320 0.302 0.000 0.217 871 A C 2.295 179.968 177.584 0.148 0.000 1.186 871 A CA 1.721 53.823 52.037 0.109 0.000 0.624 871 A CB -0.666 18.380 19.000 0.077 0.000 0.822 871 A HN 0.372 nan 8.150 nan 0.000 0.444 872 I N -0.714 119.917 120.570 0.101 0.000 2.264 872 I HA -0.255 4.096 4.170 0.302 0.000 0.248 872 I C 2.564 178.793 176.117 0.186 0.000 1.111 872 I CA 1.834 63.194 61.300 0.100 0.000 1.382 872 I CB -0.210 37.808 38.000 0.030 0.000 1.060 872 I HN 0.454 nan 8.210 nan 0.000 0.418 873 E N 1.112 121.408 120.200 0.160 0.000 2.047 873 E HA -0.213 4.318 4.350 0.302 0.000 0.191 873 E C 2.051 178.755 176.600 0.173 0.000 0.987 873 E CA 1.298 57.804 56.400 0.176 0.000 0.799 873 E CB -0.031 29.751 29.700 0.137 0.000 0.752 873 E HN 0.276 nan 8.360 nan 0.000 0.449 874 E N -0.105 120.190 120.200 0.158 0.000 2.070 874 E HA -0.220 4.311 4.350 0.302 0.000 0.197 874 E C 2.047 178.765 176.600 0.196 0.000 1.004 874 E CA 1.232 57.720 56.400 0.145 0.000 0.805 874 E CB -0.553 29.235 29.700 0.147 0.000 0.744 874 E HN 0.399 nan 8.360 nan 0.000 0.451 875 F N 1.862 121.865 119.950 0.089 0.000 2.134 875 F HA -0.215 4.492 4.527 0.301 0.000 0.299 875 F C 2.436 178.291 175.800 0.093 0.000 1.097 875 F CA 1.830 59.874 58.000 0.074 0.000 1.264 875 F CB -0.216 38.812 39.000 0.046 0.000 1.001 875 F HN -0.069 nan 8.300 nan 0.000 0.479 876 T N 1.676 116.482 114.554 0.420 0.000 2.674 876 T HA -0.200 4.331 4.350 0.302 0.000 0.265 876 T C 2.042 176.957 174.700 0.359 0.000 1.039 876 T CA 1.927 64.265 62.100 0.398 0.000 1.150 876 T CB -0.594 68.541 68.868 0.445 0.000 0.864 876 T HN 0.230 nan 8.240 nan 0.000 0.427 877 L N 1.448 122.770 121.223 0.165 0.000 2.017 877 L HA -0.129 4.392 4.340 0.302 0.000 0.208 877 L C 2.974 179.860 176.870 0.026 0.000 1.073 877 L CA 1.597 56.408 54.840 -0.048 0.000 0.745 877 L CB -0.790 41.148 42.059 -0.202 0.000 0.894 877 L HN 0.375 nan 8.230 nan 0.000 0.432 878 S N -1.394 114.349 115.700 0.071 0.000 2.383 878 S HA -0.246 4.405 4.470 0.302 0.000 0.227 878 S C 2.200 176.939 174.600 0.232 0.000 1.026 878 S CA 1.002 59.300 58.200 0.163 0.000 0.981 878 S CB -1.240 62.090 63.200 0.217 0.000 0.818 878 S HN 0.508 nan 8.310 nan 0.000 0.472 879 C N 2.286 121.625 119.300 0.065 0.000 2.398 879 C HA 0.017 4.658 4.460 0.302 0.000 0.276 879 C C 3.180 178.426 174.990 0.428 0.000 1.222 879 C CA 1.062 60.149 59.018 0.115 0.000 1.746 879 C CB -1.784 25.901 27.740 -0.091 0.000 2.039 879 C HN 0.703 nan 8.230 nan 0.000 0.470 880 A N 0.215 123.339 122.820 0.507 0.000 1.877 880 A HA 0.058 4.559 4.320 0.302 0.000 0.216 880 A C 2.473 180.130 177.584 0.123 0.000 1.186 880 A CA 2.254 54.483 52.037 0.319 0.000 0.620 880 A CB -1.516 17.566 19.000 0.138 0.000 0.822 880 A HN 0.691 nan 8.150 nan 0.000 0.443 881 G N -1.620 107.168 108.800 -0.019 0.000 2.446 881 G HA2 -0.234 3.907 3.960 0.302 0.000 0.217 881 G HA3 -0.234 3.907 3.960 0.302 0.000 0.217 881 G C 1.458 176.392 174.900 0.058 0.000 1.168 881 G CA 1.299 46.314 45.100 -0.142 0.000 0.771 881 G HN 0.559 nan 8.290 nan 0.000 0.551 882 Y N -0.131 120.309 120.300 0.234 0.000 2.395 882 Y HA 0.016 4.747 4.550 0.302 0.000 0.293 882 Y C 3.013 178.994 175.900 0.135 0.000 1.123 882 Y CA 0.332 58.539 58.100 0.177 0.000 1.227 882 Y CB -0.368 38.213 38.460 0.201 0.000 1.012 882 Y HN 0.214 nan 8.280 nan 0.000 0.552 883 C N -1.278 118.208 119.300 0.309 0.000 2.450 883 C HA -0.077 4.564 4.460 0.302 0.000 0.279 883 C C 2.698 177.816 174.990 0.213 0.000 1.335 883 C CA 0.696 59.789 59.018 0.125 0.000 1.749 883 C CB -0.936 26.887 27.740 0.138 0.000 1.963 883 C HN 0.338 nan 8.230 nan 0.000 0.501 884 V N 1.125 121.295 119.914 0.426 0.000 2.346 884 V HA -0.107 4.194 4.120 0.302 0.000 0.244 884 V C 2.691 179.073 176.094 0.479 0.000 1.037 884 V CA 2.065 64.720 62.300 0.591 0.000 1.029 884 V CB -1.190 30.934 31.823 0.502 0.000 0.663 884 V HN 0.548 nan 8.190 nan 0.000 0.454 885 A N 0.993 124.025 122.820 0.353 0.000 1.902 885 A HA -0.235 4.266 4.320 0.302 0.000 0.217 885 A C 2.500 180.185 177.584 0.169 0.000 1.181 885 A CA 2.649 54.814 52.037 0.213 0.000 0.623 885 A CB -1.049 18.024 19.000 0.122 0.000 0.818 885 A HN 0.632 nan 8.150 nan 0.000 0.443 886 T N -3.425 111.237 114.554 0.180 0.000 2.777 886 T HA -0.227 4.304 4.350 0.302 0.000 0.266 886 T C 1.871 176.693 174.700 0.204 0.000 1.040 886 T CA 1.555 63.750 62.100 0.158 0.000 1.141 886 T CB -0.616 68.315 68.868 0.105 0.000 0.868 886 T HN 0.468 nan 8.240 nan 0.000 0.444 887 Y N 2.176 122.570 120.300 0.156 0.000 2.145 887 Y HA -0.051 4.680 4.550 0.302 0.000 0.286 887 Y C 2.368 178.436 175.900 0.281 0.000 1.145 887 Y CA 0.985 59.231 58.100 0.245 0.000 1.148 887 Y CB -0.646 38.070 38.460 0.426 0.000 0.981 887 Y HN 0.073 nan 8.280 nan 0.000 0.507 888 V N 0.517 120.499 119.914 0.113 0.000 2.358 888 V HA -0.281 4.020 4.120 0.302 0.000 0.246 888 V C 2.304 178.352 176.094 -0.078 0.000 1.047 888 V CA 1.944 64.222 62.300 -0.038 0.000 1.035 888 V CB -0.617 31.236 31.823 0.051 0.000 0.658 888 V HN 0.435 nan 8.190 nan 0.000 0.452 889 L N 0.279 121.476 121.223 -0.042 0.000 2.554 889 L HA 0.243 4.764 4.340 0.302 0.000 0.226 889 L C 1.600 178.408 176.870 -0.104 0.000 1.137 889 L CA 0.811 55.586 54.840 -0.108 0.000 0.863 889 L CB -0.622 41.413 42.059 -0.040 0.000 0.985 889 L HN 0.567 nan 8.230 nan 0.000 0.451 890 G N 1.501 110.318 108.800 0.029 0.000 2.225 890 G HA2 -0.285 3.856 3.960 0.302 0.000 0.264 890 G HA3 -0.285 3.856 3.960 0.302 0.000 0.264 890 G C 0.007 174.920 174.900 0.022 0.000 1.060 890 G CA -0.192 44.869 45.100 -0.065 0.000 0.833 890 G HN 0.309 nan 8.290 nan 0.000 0.498 891 I N 1.392 122.046 120.570 0.140 0.000 2.301 891 I HA 0.514 4.865 4.170 0.302 0.000 0.292 891 I C 1.292 177.526 176.117 0.196 0.000 1.046 891 I CA 0.252 61.689 61.300 0.228 0.000 1.282 891 I CB 0.979 39.161 38.000 0.304 0.000 1.409 891 I HN 0.218 nan 8.210 nan 0.000 0.484 892 G N 2.862 111.771 108.800 0.182 0.000 2.795 892 G HA2 0.263 4.404 3.960 0.302 0.000 0.267 892 G HA3 0.263 4.404 3.960 0.302 0.000 0.267 892 G C -0.124 174.840 174.900 0.107 0.000 1.362 892 G CA -0.364 44.809 45.100 0.122 0.000 1.048 892 G HN 0.640 nan 8.290 nan 0.000 0.547 893 D N -1.066 119.368 120.400 0.056 0.000 2.701 893 D HA -0.139 4.682 4.640 0.302 0.000 0.235 893 D C 0.330 176.602 176.300 -0.047 0.000 1.155 893 D CA 0.516 54.559 54.000 0.071 0.000 0.649 893 D CB -0.423 40.431 40.800 0.091 0.000 1.050 893 D HN 0.214 nan 8.370 nan 0.000 0.425 894 R N 1.417 121.910 120.500 -0.013 0.000 2.340 894 R HA 0.437 4.959 4.340 0.302 0.000 0.300 894 R C 0.820 177.067 176.300 -0.087 0.000 1.069 894 R CA -0.001 56.049 56.100 -0.082 0.000 0.984 894 R CB 0.860 31.233 30.300 0.122 0.000 1.003 894 R HN 0.584 nan 8.270 nan 0.000 0.459 895 H N -2.189 116.886 119.070 0.008 0.000 2.918 895 H HA 0.118 4.855 4.556 0.301 0.000 0.303 895 H C 0.156 175.460 175.328 -0.040 0.000 1.380 895 H CA -0.478 55.557 56.048 -0.023 0.000 1.134 895 H CB 0.702 30.443 29.762 -0.034 0.000 1.842 895 H HN 0.412 nan 8.280 nan 0.000 0.533 896 S N -0.989 114.807 115.700 0.159 0.000 2.555 896 S HA -0.105 4.546 4.470 0.302 0.000 0.230 896 S C 0.457 175.068 174.600 0.019 0.000 0.978 896 S CA 1.187 59.423 58.200 0.061 0.000 0.934 896 S CB -0.258 62.967 63.200 0.041 0.000 0.766 896 S HN 0.516 nan 8.310 nan 0.000 0.533 897 D N 2.292 122.767 120.400 0.125 0.000 2.346 897 D HA 0.032 4.853 4.640 0.302 0.000 0.206 897 D C 1.157 177.431 176.300 -0.043 0.000 1.001 897 D CA 0.626 54.664 54.000 0.064 0.000 0.871 897 D CB -0.112 40.778 40.800 0.150 0.000 0.943 897 D HN 0.845 nan 8.370 nan 0.000 0.518 898 N N 0.158 118.773 118.700 -0.142 0.000 2.200 898 N HA 0.117 5.038 4.740 0.302 0.000 0.224 898 N C 0.034 175.309 175.510 -0.392 0.000 1.179 898 N CA -0.097 52.791 53.050 -0.270 0.000 0.877 898 N CB 1.181 39.472 38.487 -0.326 0.000 1.072 898 N HN 0.015 nan 8.380 nan 0.000 0.519 899 I N 1.535 121.868 120.570 -0.394 0.000 2.433 899 I HA 0.401 4.752 4.170 0.302 0.000 0.292 899 I C -0.362 175.436 176.117 -0.531 0.000 1.001 899 I CA -0.635 60.322 61.300 -0.572 0.000 1.119 899 I CB 1.882 39.619 38.000 -0.438 0.000 1.289 899 I HN -0.099 nan 8.210 nan 0.000 0.438 900 M N 6.615 125.742 119.600 -0.788 0.000 2.602 900 M HA 0.597 5.258 4.480 0.302 0.000 0.312 900 M C -1.145 174.762 176.300 -0.656 0.000 1.181 900 M CA -0.877 53.942 55.300 -0.801 0.000 0.910 900 M CB 2.738 34.640 32.600 -1.163 0.000 1.723 900 M HN 0.356 nan 8.290 nan 0.000 0.459 901 I N -0.250 120.117 120.570 -0.337 0.000 2.509 901 I HA 0.593 4.944 4.170 0.302 0.000 0.293 901 I C -0.331 175.910 176.117 0.207 0.000 1.020 901 I CA -0.773 60.502 61.300 -0.041 0.000 1.088 901 I CB 1.355 39.362 38.000 0.012 0.000 1.267 901 I HN 0.568 nan 8.210 nan 0.000 0.430 902 R N 2.920 123.651 120.500 0.385 0.000 2.577 902 R HA 0.292 4.813 4.340 0.302 0.000 0.269 902 R C 0.495 177.089 176.300 0.490 0.000 1.084 902 R CA -0.548 55.820 56.100 0.446 0.000 1.163 902 R CB 0.879 31.402 30.300 0.371 0.000 1.100 902 R HN 0.714 nan 8.270 nan 0.000 0.547 903 E N 0.286 120.716 120.200 0.383 0.000 2.268 903 E HA -0.136 4.395 4.350 0.302 0.000 0.195 903 E C 1.625 178.282 176.600 0.095 0.000 0.995 903 E CA 1.333 57.819 56.400 0.144 0.000 0.836 903 E CB 0.110 29.803 29.700 -0.010 0.000 0.763 903 E HN 0.584 nan 8.360 nan 0.000 0.491 904 S N -0.650 115.140 115.700 0.150 0.000 2.474 904 S HA -0.003 4.648 4.470 0.302 0.000 0.235 904 S C 1.738 176.444 174.600 0.175 0.000 0.997 904 S CA 0.727 59.006 58.200 0.131 0.000 0.949 904 S CB 0.118 63.398 63.200 0.133 0.000 0.766 904 S HN 0.406 nan 8.310 nan 0.000 0.517 905 G N 0.019 108.975 108.800 0.259 0.000 2.238 905 G HA2 -0.226 3.915 3.960 0.302 0.000 0.217 905 G HA3 -0.226 3.915 3.960 0.302 0.000 0.217 905 G C -0.110 174.994 174.900 0.340 0.000 0.996 905 G CA -0.089 45.210 45.100 0.332 0.000 0.632 905 G HN 0.585 nan 8.290 nan 0.000 0.503 906 Q N 0.302 120.257 119.800 0.258 0.000 2.330 906 Q HA 0.542 5.063 4.340 0.302 0.000 0.279 906 Q C 0.250 176.375 176.000 0.209 0.000 1.024 906 Q CA 0.246 56.179 55.803 0.216 0.000 0.900 906 Q CB 1.416 30.290 28.738 0.226 0.000 1.221 906 Q HN 0.564 nan 8.270 nan 0.000 0.396 907 L N 4.377 125.642 121.223 0.070 0.000 2.325 907 L HA 0.733 5.254 4.340 0.302 0.000 0.278 907 L C -1.224 175.621 176.870 -0.043 0.000 1.023 907 L CA -0.713 54.047 54.840 -0.134 0.000 0.811 907 L CB 0.662 42.401 42.059 -0.533 0.000 1.249 907 L HN 0.733 nan 8.230 nan 0.000 0.431 908 F N 0.946 120.663 119.950 -0.389 0.000 2.745 908 F HA 0.564 5.272 4.527 0.301 0.000 0.316 908 F C -1.405 174.129 175.800 -0.443 0.000 1.155 908 F CA -1.009 56.628 58.000 -0.605 0.000 0.937 908 F CB 1.322 40.221 39.000 -0.169 0.000 1.361 908 F HN 0.370 nan 8.300 nan 0.000 0.472 909 H N 1.803 120.756 119.070 -0.194 0.000 2.524 909 H HA 0.713 5.450 4.556 0.302 0.000 0.353 909 H C -0.694 174.612 175.328 -0.036 0.000 1.136 909 H CA -0.626 55.333 56.048 -0.147 0.000 1.193 909 H CB 2.674 32.447 29.762 0.019 0.000 1.558 909 H HN 0.779 nan 8.280 nan 0.000 0.515 910 I N -1.334 119.086 120.570 -0.250 0.000 2.957 910 I HA 0.389 4.740 4.170 0.302 0.000 0.310 910 I C -0.518 175.295 176.117 -0.506 0.000 1.063 910 I CA -1.012 60.146 61.300 -0.236 0.000 1.033 910 I CB 2.138 40.067 38.000 -0.118 0.000 1.230 910 I HN 0.580 nan 8.210 nan 0.000 0.447 911 D N 2.421 122.624 120.400 -0.328 0.000 3.187 911 D HA -0.215 4.606 4.640 0.302 0.000 0.244 911 D C -1.402 174.756 176.300 -0.237 0.000 1.114 911 D CA 0.590 54.478 54.000 -0.186 0.000 0.920 911 D CB -1.065 39.673 40.800 -0.103 0.000 0.970 911 D HN 0.501 nan 8.370 nan 0.000 0.418 912 F N 0.605 120.612 119.950 0.095 0.000 2.515 912 F HA 0.439 5.147 4.527 0.302 0.000 0.353 912 F C 1.941 177.732 175.800 -0.015 0.000 1.213 912 F CA -0.077 57.967 58.000 0.073 0.000 1.194 912 F CB 0.827 39.877 39.000 0.083 0.000 1.488 912 F HN 0.278 nan 8.300 nan 0.000 0.619 913 G N 0.926 109.797 108.800 0.119 0.000 2.572 913 G HA2 -0.058 4.083 3.960 0.302 0.000 0.216 913 G HA3 -0.058 4.083 3.960 0.302 0.000 0.216 913 G C 0.388 175.032 174.900 -0.426 0.000 1.133 913 G CA 0.249 45.292 45.100 -0.095 0.000 0.791 913 G HN 0.507 nan 8.290 nan 0.000 0.538 914 H N -0.992 118.131 119.070 0.090 0.000 2.966 914 H HA 0.366 5.103 4.556 0.302 0.000 0.347 914 H C -1.200 174.235 175.328 0.178 0.000 1.048 914 H CA -0.755 55.349 56.048 0.094 0.000 1.295 914 H CB 1.816 31.674 29.762 0.160 0.000 1.744 914 H HN 0.115 nan 8.280 nan 0.000 0.513 915 F N -0.119 119.906 119.950 0.125 0.000 2.691 915 F HA 0.475 5.184 4.527 0.303 0.000 0.334 915 F C 0.311 176.025 175.800 -0.144 0.000 1.107 915 F CA -2.252 55.756 58.000 0.013 0.000 0.991 915 F CB 0.079 39.090 39.000 0.018 0.000 1.400 915 F HN 0.506 nan 8.300 nan 0.000 0.503 916 L N 1.210 122.293 121.223 -0.234 0.000 3.737 916 L HA -0.171 4.350 4.340 0.302 0.000 0.418 916 L C 1.126 177.392 176.870 -1.007 0.000 1.216 916 L CA 0.972 55.325 54.840 -0.812 0.000 0.915 916 L CB -1.988 39.732 42.059 -0.565 0.000 1.834 916 L HN 1.592 nan 8.230 nan 0.000 0.943 917 G N -0.852 107.465 108.800 -0.805 0.000 2.184 917 G HA2 -0.352 3.789 3.960 0.302 0.000 0.264 917 G HA3 -0.352 3.789 3.960 0.302 0.000 0.264 917 G C 0.246 175.150 174.900 0.008 0.000 0.975 917 G CA 0.542 45.429 45.100 -0.356 0.000 0.642 917 G HN 0.671 nan 8.290 nan 0.000 0.536 918 N N 0.808 119.548 118.700 0.067 0.000 2.895 918 N HA 0.478 5.399 4.740 0.302 0.000 0.277 918 N C 0.155 175.872 175.510 0.346 0.000 1.185 918 N CA -0.379 52.785 53.050 0.189 0.000 1.106 918 N CB -0.027 38.566 38.487 0.176 0.000 1.422 918 N HN 0.275 nan 8.380 nan 0.000 0.521 930 V N 3.064 123.167 119.914 0.316 0.000 2.508 930 V HA 0.713 5.014 4.120 0.302 0.000 0.281 930 V C -1.735 174.521 176.094 0.269 0.000 1.041 930 V CA -1.124 61.317 62.300 0.236 0.000 1.016 930 V CB 0.452 32.397 31.823 0.205 0.000 0.984 930 V HN 0.615 nan 8.190 nan 0.000 0.478 931 P HA 0.185 nan 4.420 nan 0.000 0.272 931 P C -0.400 177.089 177.300 0.315 0.000 1.240 931 P CA -0.365 62.877 63.100 0.237 0.000 0.791 931 P CB 0.516 32.287 31.700 0.119 0.000 0.978 932 F N 1.296 121.304 119.950 0.097 0.000 2.553 932 F HA 0.165 4.873 4.527 0.302 0.000 0.356 932 F C 0.288 176.078 175.800 -0.017 0.000 1.142 932 F CA 0.318 58.295 58.000 -0.038 0.000 1.322 932 F CB 0.269 38.989 39.000 -0.466 0.000 1.126 932 F HN 0.059 nan 8.300 nan 0.000 0.599 933 I N 7.006 127.328 120.570 -0.414 0.000 2.436 933 I HA 0.320 4.671 4.170 0.302 0.000 0.289 933 I C -0.929 175.095 176.117 -0.155 0.000 1.010 933 I CA -0.620 60.573 61.300 -0.178 0.000 1.098 933 I CB 1.426 39.369 38.000 -0.095 0.000 1.266 933 I HN 0.486 nan 8.210 nan 0.000 0.434 934 L N 5.853 127.074 121.223 -0.003 0.000 2.372 934 L HA 0.410 4.931 4.340 0.302 0.000 0.273 934 L C -0.016 176.861 176.870 0.012 0.000 0.989 934 L CA -0.396 54.493 54.840 0.082 0.000 0.841 934 L CB 2.078 44.223 42.059 0.144 0.000 1.225 934 L HN 0.530 nan 8.230 nan 0.000 0.414 935 T N 0.555 115.036 114.554 -0.122 0.000 2.856 935 T HA 0.070 4.601 4.350 0.302 0.000 0.292 935 T C 0.741 175.401 174.700 -0.066 0.000 0.980 935 T CA -0.284 61.662 62.100 -0.256 0.000 1.091 935 T CB 1.411 69.778 68.868 -0.836 0.000 0.936 935 T HN 0.415 nan 8.240 nan 0.000 0.503 936 Y N 2.442 122.713 120.300 -0.049 0.000 2.193 936 Y HA -0.224 4.507 4.550 0.301 0.000 0.285 936 Y C 1.710 177.652 175.900 0.070 0.000 1.166 936 Y CA 1.803 59.933 58.100 0.051 0.000 1.181 936 Y CB -0.224 38.320 38.460 0.139 0.000 0.976 936 Y HN 0.617 nan 8.280 nan 0.000 0.520 937 D N -1.032 119.345 120.400 -0.038 0.000 2.234 937 D HA -0.097 4.724 4.640 0.302 0.000 0.205 937 D C 1.921 178.382 176.300 0.267 0.000 0.962 937 D CA 0.826 54.825 54.000 -0.001 0.000 0.855 937 D CB -0.301 40.548 40.800 0.083 0.000 0.951 937 D HN 0.285 nan 8.370 nan 0.000 0.500 938 F N 0.500 120.536 119.950 0.143 0.000 2.128 938 F HA -0.054 4.654 4.527 0.301 0.000 0.295 938 F C 2.507 178.385 175.800 0.130 0.000 1.100 938 F CA 0.092 58.278 58.000 0.310 0.000 1.260 938 F CB -1.301 37.890 39.000 0.319 0.000 1.009 938 F HN -0.157 nan 8.300 nan 0.000 0.476 939 V N 0.128 120.182 119.914 0.233 0.000 2.324 939 V HA -0.352 3.949 4.120 0.302 0.000 0.250 939 V C 2.415 178.509 176.094 -0.000 0.000 1.060 939 V CA 2.452 64.824 62.300 0.120 0.000 1.042 939 V CB -1.029 30.875 31.823 0.136 0.000 0.650 939 V HN 0.363 nan 8.190 nan 0.000 0.450 940 H N -0.298 118.619 119.070 -0.255 0.000 2.352 940 H HA -0.149 4.588 4.556 0.302 0.000 0.299 940 H C 2.044 177.259 175.328 -0.188 0.000 1.097 940 H CA 2.218 58.077 56.048 -0.315 0.000 1.311 940 H CB -0.131 29.344 29.762 -0.479 0.000 1.377 940 H HN 0.208 nan 8.280 nan 0.000 0.504 941 V N 0.233 120.057 119.914 -0.150 0.000 2.379 941 V HA -0.199 4.102 4.120 0.302 0.000 0.245 941 V C 2.521 178.477 176.094 -0.230 0.000 1.044 941 V CA 1.810 63.917 62.300 -0.322 0.000 1.036 941 V CB -0.462 30.894 31.823 -0.779 0.000 0.664 941 V HN 0.430 nan 8.190 nan 0.000 0.453 942 I N -0.169 120.353 120.570 -0.081 0.000 2.264 942 I HA -0.293 4.058 4.170 0.302 0.000 0.248 942 I C 2.169 178.293 176.117 0.012 0.000 1.111 942 I CA 1.546 62.857 61.300 0.020 0.000 1.382 942 I CB -0.308 37.682 38.000 -0.016 0.000 1.060 942 I HN 0.369 nan 8.210 nan 0.000 0.418 943 Q N 0.878 120.654 119.800 -0.040 0.000 2.329 943 Q HA -0.006 4.515 4.340 0.302 0.000 0.208 943 Q C -0.119 175.800 176.000 -0.134 0.000 0.934 943 Q CA -0.006 55.765 55.803 -0.053 0.000 0.951 943 Q CB 0.096 28.794 28.738 -0.066 0.000 1.017 943 Q HN 0.473 nan 8.270 nan 0.000 0.490 944 Q N -1.126 118.589 119.800 -0.142 0.000 2.435 944 Q HA -0.297 4.224 4.340 0.302 0.000 0.286 944 Q C 0.709 176.573 176.000 -0.227 0.000 1.229 944 Q CA 0.387 56.102 55.803 -0.147 0.000 0.884 944 Q CB -2.089 26.607 28.738 -0.070 0.000 1.245 944 Q HN 0.727 nan 8.270 nan 0.000 0.488 945 G N -0.813 107.710 108.800 -0.462 0.000 2.179 945 G HA2 -0.336 3.805 3.960 0.302 0.000 0.260 945 G HA3 -0.336 3.805 3.960 0.302 0.000 0.260 945 G C -0.003 174.639 174.900 -0.431 0.000 0.977 945 G CA 0.499 45.204 45.100 -0.659 0.000 0.641 945 G HN 0.322 nan 8.290 nan 0.000 0.533 946 K N 0.237 120.457 120.400 -0.300 0.000 2.118 946 K HA 0.545 5.046 4.320 0.302 0.000 0.267 946 K C 1.412 177.946 176.600 -0.109 0.000 0.991 946 K CA -0.057 56.146 56.287 -0.140 0.000 0.916 946 K CB 1.154 33.603 32.500 -0.085 0.000 1.041 946 K HN 0.052 nan 8.250 nan 0.000 0.455 947 T N 0.867 115.396 114.554 -0.042 0.000 2.708 947 T HA -0.089 4.442 4.350 0.302 0.000 0.266 947 T C 0.445 175.134 174.700 -0.018 0.000 1.037 947 T CA 1.173 63.268 62.100 -0.009 0.000 1.146 947 T CB -0.077 68.782 68.868 -0.014 0.000 0.865 947 T HN 0.507 nan 8.240 nan 0.000 0.435 948 N N 2.202 120.888 118.700 -0.024 0.000 2.399 948 N HA 0.387 5.308 4.740 0.302 0.000 0.280 948 N C -1.268 174.239 175.510 -0.006 0.000 1.008 948 N CA -0.381 52.659 53.050 -0.018 0.000 0.894 948 N CB 1.420 39.899 38.487 -0.013 0.000 1.273 948 N HN 0.077 nan 8.380 nan 0.000 0.486 949 N N 0.595 119.304 118.700 0.015 0.000 2.785 949 N HA 0.006 4.927 4.740 0.302 0.000 0.224 949 N C 0.079 175.657 175.510 0.113 0.000 1.448 949 N CA -0.195 52.882 53.050 0.045 0.000 0.748 949 N CB 0.241 38.745 38.487 0.027 0.000 1.385 949 N HN 0.366 nan 8.380 nan 0.000 0.538 950 S N -0.303 115.462 115.700 0.108 0.000 2.489 950 S HA -0.070 4.581 4.470 0.302 0.000 0.228 950 S C 1.449 176.143 174.600 0.156 0.000 0.995 950 S CA 0.633 58.938 58.200 0.175 0.000 0.934 950 S CB 0.145 63.422 63.200 0.128 0.000 0.771 950 S HN 0.598 nan 8.310 nan 0.000 0.522 951 E N 1.659 121.918 120.200 0.098 0.000 2.031 951 E HA -0.178 4.353 4.350 0.302 0.000 0.193 951 E C 1.783 178.428 176.600 0.076 0.000 0.994 951 E CA 1.040 57.480 56.400 0.068 0.000 0.800 951 E CB -0.002 29.726 29.700 0.047 0.000 0.752 951 E HN 0.247 nan 8.360 nan 0.000 0.447 952 K N 0.085 120.546 120.400 0.103 0.000 2.062 952 K HA -0.114 4.387 4.320 0.302 0.000 0.205 952 K C 2.025 178.729 176.600 0.173 0.000 1.051 952 K CA 0.804 57.160 56.287 0.115 0.000 0.941 952 K CB -0.608 31.955 32.500 0.105 0.000 0.719 952 K HN 0.205 nan 8.250 nan 0.000 0.440 953 F N 2.922 122.934 119.950 0.104 0.000 2.134 953 F HA -0.166 4.542 4.527 0.301 0.000 0.299 953 F C 1.993 177.930 175.800 0.228 0.000 1.097 953 F CA 1.529 59.647 58.000 0.196 0.000 1.264 953 F CB 0.134 39.238 39.000 0.174 0.000 1.001 953 F HN 0.009 nan 8.300 nan 0.000 0.479 954 E N 0.213 120.473 120.200 0.099 0.000 2.152 954 E HA -0.120 4.411 4.350 0.302 0.000 0.192 954 E C 2.376 178.846 176.600 -0.216 0.000 0.983 954 E CA 0.557 56.912 56.400 -0.075 0.000 0.818 954 E CB -0.360 29.357 29.700 0.028 0.000 0.758 954 E HN 0.491 nan 8.360 nan 0.000 0.467 955 R N 0.078 120.460 120.500 -0.197 0.000 2.083 955 R HA -0.155 4.366 4.340 0.302 0.000 0.237 955 R C 2.309 178.179 176.300 -0.717 0.000 1.137 955 R CA 1.345 57.190 56.100 -0.425 0.000 0.951 955 R CB -0.558 29.552 30.300 -0.317 0.000 0.851 955 R HN 0.161 nan 8.270 nan 0.000 0.434 956 F N 1.898 121.542 119.950 -0.511 0.000 2.069 956 F HA -0.234 4.474 4.527 0.302 0.000 0.298 956 F C 2.581 178.202 175.800 -0.299 0.000 1.113 956 F CA 1.612 59.424 58.000 -0.314 0.000 1.214 956 F CB -0.392 38.527 39.000 -0.135 0.000 0.978 956 F HN -0.159 nan 8.300 nan 0.000 0.474 957 R N 0.213 120.328 120.500 -0.640 0.000 2.119 957 R HA -0.200 4.321 4.340 0.302 0.000 0.246 957 R C 2.431 178.370 176.300 -0.601 0.000 1.146 957 R CA 1.829 57.447 56.100 -0.803 0.000 0.962 957 R CB -1.248 28.602 30.300 -0.750 0.000 0.863 957 R HN 0.527 nan 8.270 nan 0.000 0.442 958 G N -0.449 108.068 108.800 -0.472 0.000 2.402 958 G HA2 -0.259 3.882 3.960 0.302 0.000 0.216 958 G HA3 -0.259 3.882 3.960 0.302 0.000 0.216 958 G C 0.962 175.732 174.900 -0.217 0.000 1.162 958 G CA 0.697 45.599 45.100 -0.329 0.000 0.777 958 G HN 0.293 nan 8.290 nan 0.000 0.539 959 Y N 0.947 121.095 120.300 -0.253 0.000 2.069 959 Y HA -0.200 4.531 4.550 0.302 0.000 0.278 959 Y C 3.234 178.939 175.900 -0.325 0.000 1.175 959 Y CA 0.387 58.332 58.100 -0.258 0.000 1.134 959 Y CB -1.417 36.928 38.460 -0.192 0.000 0.965 959 Y HN 0.225 nan 8.280 nan 0.000 0.498 960 C N -0.059 119.105 119.300 -0.228 0.000 2.398 960 C HA -0.219 4.422 4.460 0.302 0.000 0.276 960 C C 2.626 177.502 174.990 -0.189 0.000 1.222 960 C CA 1.209 60.131 59.018 -0.160 0.000 1.746 960 C CB -1.130 26.553 27.740 -0.095 0.000 2.039 960 C HN 0.575 nan 8.230 nan 0.000 0.470 961 E N 0.188 120.243 120.200 -0.242 0.000 2.051 961 E HA -0.211 4.320 4.350 0.302 0.000 0.192 961 E C 2.425 178.925 176.600 -0.165 0.000 0.991 961 E CA 1.089 57.337 56.400 -0.254 0.000 0.799 961 E CB -0.237 29.341 29.700 -0.203 0.000 0.748 961 E HN 0.542 nan 8.360 nan 0.000 0.449 962 R N 0.312 120.734 120.500 -0.129 0.000 2.094 962 R HA -0.190 4.331 4.340 0.302 0.000 0.239 962 R C 2.388 178.627 176.300 -0.101 0.000 1.137 962 R CA 1.461 57.506 56.100 -0.091 0.000 0.943 962 R CB -0.364 29.893 30.300 -0.072 0.000 0.850 962 R HN 0.138 nan 8.270 nan 0.000 0.433 963 A N -0.061 122.628 122.820 -0.218 0.000 1.908 963 A HA -0.239 4.262 4.320 0.302 0.000 0.218 963 A C 2.015 179.707 177.584 0.181 0.000 1.181 963 A CA 1.480 53.315 52.037 -0.337 0.000 0.627 963 A CB -0.806 17.768 19.000 -0.710 0.000 0.818 963 A HN 0.527 nan 8.150 nan 0.000 0.445 964 Y N 1.866 122.097 120.300 -0.114 0.000 2.200 964 Y HA -0.205 4.526 4.550 0.301 0.000 0.290 964 Y C 2.858 178.701 175.900 -0.095 0.000 1.137 964 Y CA 2.445 60.450 58.100 -0.158 0.000 1.163 964 Y CB -0.698 37.344 38.460 -0.697 0.000 0.988 964 Y HN 0.444 nan 8.280 nan 0.000 0.518 965 T N -1.303 113.155 114.554 -0.160 0.000 2.821 965 T HA -0.189 4.342 4.350 0.302 0.000 0.267 965 T C 1.978 176.622 174.700 -0.094 0.000 1.046 965 T CA 1.702 63.693 62.100 -0.183 0.000 1.139 965 T CB -0.882 67.937 68.868 -0.081 0.000 0.871 965 T HN 0.404 nan 8.240 nan 0.000 0.454 966 I N 1.202 121.800 120.570 0.046 0.000 2.163 966 I HA -0.126 4.225 4.170 0.302 0.000 0.243 966 I C 2.551 178.784 176.117 0.194 0.000 1.085 966 I CA 1.301 62.705 61.300 0.173 0.000 1.347 966 I CB -0.484 37.729 38.000 0.354 0.000 1.044 966 I HN 0.196 nan 8.210 nan 0.000 0.408 967 L N 0.048 121.369 121.223 0.163 0.000 2.046 967 L HA -0.199 4.322 4.340 0.302 0.000 0.208 967 L C 2.749 179.621 176.870 0.003 0.000 1.077 967 L CA 1.362 56.261 54.840 0.100 0.000 0.747 967 L CB -0.729 41.316 42.059 -0.024 0.000 0.896 967 L HN 0.182 nan 8.230 nan 0.000 0.432 968 R N 0.091 120.469 120.500 -0.203 0.000 2.133 968 R HA -0.189 4.332 4.340 0.302 0.000 0.247 968 R C 2.359 178.593 176.300 -0.110 0.000 1.151 968 R CA 1.379 57.357 56.100 -0.204 0.000 0.971 968 R CB -0.383 29.730 30.300 -0.311 0.000 0.866 968 R HN 0.405 nan 8.270 nan 0.000 0.447 969 R N -0.577 119.857 120.500 -0.110 0.000 2.189 969 R HA -0.091 4.430 4.340 0.302 0.000 0.223 969 R C 0.776 176.877 176.300 -0.332 0.000 1.092 969 R CA 1.106 57.080 56.100 -0.210 0.000 0.989 969 R CB -0.053 30.095 30.300 -0.254 0.000 0.876 969 R HN 0.468 nan 8.270 nan 0.000 0.457 970 H N -1.739 117.352 119.070 0.035 0.000 2.592 970 H HA 0.185 4.922 4.556 0.302 0.000 0.279 970 H C 1.683 177.087 175.328 0.127 0.000 1.089 970 H CA 0.078 56.158 56.048 0.053 0.000 1.150 970 H CB 0.786 30.581 29.762 0.054 0.000 1.575 970 H HN 0.238 nan 8.280 nan 0.000 0.547 971 G N 1.108 110.007 108.800 0.165 0.000 2.547 971 G HA2 -0.301 3.840 3.960 0.302 0.000 0.221 971 G HA3 -0.301 3.840 3.960 0.302 0.000 0.221 971 G C 1.519 176.458 174.900 0.064 0.000 1.140 971 G CA 0.957 46.139 45.100 0.137 0.000 0.760 971 G HN 0.364 nan 8.290 nan 0.000 0.583 972 L N -0.413 120.776 121.223 -0.057 0.000 2.127 972 L HA -0.058 4.463 4.340 0.302 0.000 0.211 972 L C 2.701 179.338 176.870 -0.388 0.000 1.089 972 L CA 0.578 55.253 54.840 -0.274 0.000 0.757 972 L CB -0.385 41.548 42.059 -0.210 0.000 0.899 972 L HN 0.271 nan 8.230 nan 0.000 0.434 973 L N -0.723 120.412 121.223 -0.146 0.000 2.056 973 L HA -0.156 4.365 4.340 0.302 0.000 0.207 973 L C 2.268 178.997 176.870 -0.234 0.000 1.078 973 L CA 1.762 56.485 54.840 -0.195 0.000 0.749 973 L CB -0.495 41.433 42.059 -0.220 0.000 0.901 973 L HN -0.014 nan 8.230 nan 0.000 0.433 974 F N -0.564 119.372 119.950 -0.023 0.000 2.134 974 F HA -0.189 4.519 4.527 0.301 0.000 0.299 974 F C 2.276 178.160 175.800 0.140 0.000 1.097 974 F CA 1.450 59.504 58.000 0.090 0.000 1.264 974 F CB -0.728 38.312 39.000 0.066 0.000 1.001 974 F HN 0.001 nan 8.300 nan 0.000 0.479 975 L N -0.885 120.420 121.223 0.136 0.000 2.046 975 L HA -0.260 4.261 4.340 0.302 0.000 0.208 975 L C 2.374 179.307 176.870 0.105 0.000 1.077 975 L CA 1.732 56.605 54.840 0.054 0.000 0.747 975 L CB -0.944 41.065 42.059 -0.084 0.000 0.896 975 L HN 0.280 nan 8.230 nan 0.000 0.432 976 H N -0.682 118.430 119.070 0.069 0.000 2.389 976 H HA -0.097 4.640 4.556 0.302 0.000 0.299 976 H C 2.381 177.708 175.328 -0.001 0.000 1.081 976 H CA 0.729 56.788 56.048 0.019 0.000 1.345 976 H CB 0.128 29.862 29.762 -0.047 0.000 1.393 976 H HN 0.221 nan 8.280 nan 0.000 0.520 977 L N -0.370 120.898 121.223 0.076 0.000 2.056 977 L HA -0.165 4.356 4.340 0.302 0.000 0.207 977 L C 1.842 178.684 176.870 -0.046 0.000 1.078 977 L CA 1.064 55.875 54.840 -0.048 0.000 0.749 977 L CB -0.324 41.644 42.059 -0.153 0.000 0.901 977 L HN 0.234 nan 8.230 nan 0.000 0.433 978 F N -0.068 119.893 119.950 0.019 0.000 2.186 978 F HA -0.145 4.563 4.527 0.302 0.000 0.299 978 F C 2.586 178.409 175.800 0.039 0.000 1.090 978 F CA 1.053 59.063 58.000 0.016 0.000 1.307 978 F CB -0.611 38.381 39.000 -0.013 0.000 1.019 978 F HN -0.000 nan 8.300 nan 0.000 0.489 979 A N 0.224 123.183 122.820 0.230 0.000 1.908 979 A HA -0.182 4.319 4.320 0.302 0.000 0.218 979 A C 2.197 179.884 177.584 0.172 0.000 1.181 979 A CA 1.595 53.741 52.037 0.181 0.000 0.627 979 A CB -1.087 18.022 19.000 0.182 0.000 0.818 979 A HN 0.410 nan 8.150 nan 0.000 0.445 980 L N -1.297 120.008 121.223 0.136 0.000 2.217 980 L HA -0.082 4.439 4.340 0.302 0.000 0.211 980 L C 2.362 179.265 176.870 0.055 0.000 1.107 980 L CA 0.521 55.445 54.840 0.139 0.000 0.783 980 L CB -0.364 41.733 42.059 0.063 0.000 0.919 980 L HN 0.322 nan 8.230 nan 0.000 0.442 981 M N -0.691 118.911 119.600 0.004 0.000 2.558 981 M HA -0.036 4.625 4.480 0.302 0.000 0.255 981 M C 2.002 178.300 176.300 -0.003 0.000 1.113 981 M CA 1.035 56.304 55.300 -0.053 0.000 1.097 981 M CB -0.741 31.786 32.600 -0.122 0.000 1.426 981 M HN 0.159 nan 8.290 nan 0.000 0.488 982 R N -0.069 120.474 120.500 0.072 0.000 2.303 982 R HA -0.065 4.456 4.340 0.302 0.000 0.225 982 R C 1.836 178.138 176.300 0.004 0.000 1.114 982 R CA 1.087 57.233 56.100 0.077 0.000 1.007 982 R CB -0.344 30.032 30.300 0.127 0.000 0.861 982 R HN 0.320 nan 8.270 nan 0.000 0.471 983 A N 0.468 123.218 122.820 -0.116 0.000 2.169 983 A HA 0.157 4.658 4.320 0.302 0.000 0.212 983 A C 2.108 179.518 177.584 -0.290 0.000 1.153 983 A CA 0.831 52.623 52.037 -0.409 0.000 0.756 983 A CB -0.016 18.347 19.000 -1.062 0.000 0.813 983 A HN 0.317 nan 8.150 nan 0.000 0.471 984 A N -0.849 121.868 122.820 -0.172 0.000 2.066 984 A HA 0.358 4.859 4.320 0.302 0.000 0.218 984 A C 1.860 179.377 177.584 -0.112 0.000 1.157 984 A CA 1.167 53.126 52.037 -0.130 0.000 0.670 984 A CB -1.014 17.935 19.000 -0.084 0.000 0.804 984 A HN 1.778 nan 8.150 nan 0.000 0.453 985 G N -1.042 107.698 108.800 -0.101 0.000 2.323 985 G HA2 -0.179 3.962 3.960 0.302 0.000 0.292 985 G HA3 -0.179 3.962 3.960 0.302 0.000 0.292 985 G C -0.235 174.636 174.900 -0.049 0.000 1.040 985 G CA 0.279 45.331 45.100 -0.080 0.000 0.942 985 G HN 0.335 nan 8.290 nan 0.000 0.506 986 L N 0.103 121.311 121.223 -0.024 0.000 2.360 986 L HA 0.345 4.866 4.340 0.302 0.000 0.276 986 L C -0.334 176.536 176.870 -0.001 0.000 1.121 986 L CA -1.702 53.128 54.840 -0.017 0.000 0.845 986 L CB 1.083 43.150 42.059 0.012 0.000 1.143 986 L HN -0.054 nan 8.230 nan 0.000 0.452 987 P HA -0.139 nan 4.420 nan 0.000 0.219 987 P C 0.372 177.683 177.300 0.019 0.000 1.146 987 P CA 1.147 64.239 63.100 -0.014 0.000 0.808 987 P CB 0.298 31.977 31.700 -0.034 0.000 0.779 988 E N -1.312 118.914 120.200 0.042 0.000 2.419 988 E HA 0.153 4.684 4.350 0.302 0.000 0.190 988 E C -0.098 176.676 176.600 0.291 0.000 1.040 988 E CA -0.121 56.367 56.400 0.146 0.000 0.900 988 E CB 0.020 29.810 29.700 0.149 0.000 1.054 988 E HN 0.031 nan 8.360 nan 0.000 0.462 989 L N 0.069 121.419 121.223 0.212 0.000 2.574 989 L HA 0.265 4.787 4.340 0.302 0.000 0.258 989 L C 0.036 176.973 176.870 0.111 0.000 1.520 989 L CA 0.173 55.147 54.840 0.222 0.000 0.775 989 L CB 0.687 42.943 42.059 0.329 0.000 1.028 989 L HN -0.160 nan 8.230 nan 0.000 0.516 990 S N -1.127 114.617 115.700 0.074 0.000 2.566 990 S HA 0.195 4.846 4.470 0.302 0.000 0.234 990 S C 0.754 175.364 174.600 0.016 0.000 1.075 990 S CA 0.488 58.704 58.200 0.027 0.000 0.926 990 S CB 0.330 63.537 63.200 0.012 0.000 0.811 990 S HN 0.716 nan 8.310 nan 0.000 0.518 991 C N -0.011 119.306 119.300 0.027 0.000 3.455 991 C HA 0.713 5.354 4.460 0.302 0.000 0.357 991 C C 1.848 176.855 174.990 0.028 0.000 3.109 991 C CA -0.164 58.864 59.018 0.017 0.000 1.483 991 C CB 0.686 28.430 27.740 0.007 0.000 3.542 991 C HN 0.242 nan 8.230 nan 0.000 0.511 992 S N 0.994 116.706 115.700 0.020 0.000 2.395 992 S HA -0.052 4.599 4.470 0.302 0.000 0.225 992 S C 1.654 176.267 174.600 0.023 0.000 1.027 992 S CA 0.817 59.029 58.200 0.021 0.000 0.965 992 S CB -0.311 62.898 63.200 0.014 0.000 0.812 992 S HN 0.680 nan 8.310 nan 0.000 0.482 993 K N 1.927 122.343 120.400 0.027 0.000 2.281 993 K HA -0.042 4.459 4.320 0.302 0.000 0.203 993 K C 1.145 177.778 176.600 0.055 0.000 1.046 993 K CA 0.886 57.197 56.287 0.039 0.000 0.938 993 K CB -0.525 32.001 32.500 0.044 0.000 0.737 993 K HN 0.446 nan 8.250 nan 0.000 0.458 994 D N 0.695 121.117 120.400 0.038 0.000 2.162 994 D HA -0.059 4.762 4.640 0.302 0.000 0.203 994 D C 1.926 178.200 176.300 -0.044 0.000 0.967 994 D CA 0.553 54.559 54.000 0.009 0.000 0.840 994 D CB 0.102 40.915 40.800 0.021 0.000 0.972 994 D HN 0.077 nan 8.370 nan 0.000 0.482 995 I N 1.060 121.613 120.570 -0.027 0.000 2.315 995 I HA -0.210 4.141 4.170 0.302 0.000 0.248 995 I C 2.475 178.562 176.117 -0.050 0.000 1.117 995 I CA 0.861 62.127 61.300 -0.057 0.000 1.404 995 I CB -0.790 37.211 38.000 0.001 0.000 1.071 995 I HN -0.013 nan 8.210 nan 0.000 0.419 996 Q N 0.760 120.553 119.800 -0.012 0.000 2.135 996 Q HA -0.267 4.254 4.340 0.302 0.000 0.204 996 Q C 2.200 178.179 176.000 -0.035 0.000 0.981 996 Q CA 1.761 57.553 55.803 -0.018 0.000 0.856 996 Q CB -0.742 27.997 28.738 0.002 0.000 0.902 996 Q HN 0.537 nan 8.270 nan 0.000 0.425 997 Y N -0.244 119.986 120.300 -0.116 0.000 2.165 997 Y HA -0.217 4.515 4.550 0.302 0.000 0.286 997 Y C 1.663 177.450 175.900 -0.187 0.000 1.155 997 Y CA 1.780 59.798 58.100 -0.135 0.000 1.164 997 Y CB -0.033 38.337 38.460 -0.150 0.000 0.978 997 Y HN 0.159 nan 8.280 nan 0.000 0.513 998 L N -0.099 121.081 121.223 -0.072 0.000 2.093 998 L HA -0.221 4.301 4.340 0.302 0.000 0.208 998 L C 2.460 179.240 176.870 -0.150 0.000 1.085 998 L CA 1.261 55.995 54.840 -0.178 0.000 0.755 998 L CB -0.437 41.441 42.059 -0.303 0.000 0.904 998 L HN 0.121 nan 8.230 nan 0.000 0.435 999 K N -0.100 120.229 120.400 -0.119 0.000 2.063 999 K HA -0.192 4.309 4.320 0.302 0.000 0.208 999 K C 1.583 178.120 176.600 -0.105 0.000 1.048 999 K CA 1.588 57.819 56.287 -0.094 0.000 0.928 999 K CB -0.182 32.275 32.500 -0.071 0.000 0.713 999 K HN 0.362 nan 8.250 nan 0.000 0.442 1000 D N -0.045 120.264 120.400 -0.151 0.000 2.162 1000 D HA -0.089 4.732 4.640 0.302 0.000 0.203 1000 D C 2.066 178.288 176.300 -0.131 0.000 0.967 1000 D CA 1.266 55.169 54.000 -0.162 0.000 0.840 1000 D CB -0.126 40.543 40.800 -0.219 0.000 0.972 1000 D HN 0.171 nan 8.370 nan 0.000 0.482 1001 S N 0.490 116.057 115.700 -0.223 0.000 2.383 1001 S HA -0.063 4.588 4.470 0.302 0.000 0.227 1001 S C 2.040 176.732 174.600 0.153 0.000 1.026 1001 S CA 0.582 58.682 58.200 -0.166 0.000 0.981 1001 S CB -0.520 62.472 63.200 -0.346 0.000 0.818 1001 S HN 0.204 nan 8.310 nan 0.000 0.472 1002 L N 1.129 122.382 121.223 0.050 0.000 2.558 1002 L HA 0.362 4.883 4.340 0.302 0.000 0.225 1002 L C 1.507 178.408 176.870 0.051 0.000 1.128 1002 L CA 0.243 55.110 54.840 0.044 0.000 0.868 1002 L CB -0.681 41.319 42.059 -0.099 0.000 1.006 1002 L HN 0.494 nan 8.230 nan 0.000 0.454 1003 A N 0.441 123.291 122.820 0.050 0.000 2.640 1003 A HA -0.224 4.277 4.320 0.302 0.000 0.300 1003 A C 1.438 179.006 177.584 -0.027 0.000 1.499 1003 A CA 0.470 52.507 52.037 0.000 0.000 0.759 1003 A CB -1.721 17.311 19.000 0.053 0.000 1.048 1003 A HN 0.337 nan 8.150 nan 0.000 0.450 1004 L N -0.922 120.274 121.223 -0.045 0.000 2.362 1004 L HA -0.120 4.401 4.340 0.302 0.000 0.219 1004 L C 2.360 179.204 176.870 -0.042 0.000 1.134 1004 L CA 2.239 57.049 54.840 -0.050 0.000 0.807 1004 L CB -1.199 40.828 42.059 -0.054 0.000 0.927 1004 L HN 0.759 nan 8.230 nan 0.000 0.447 1005 G N -0.413 108.361 108.800 -0.044 0.000 2.448 1005 G HA2 -0.140 4.001 3.960 0.302 0.000 0.218 1005 G HA3 -0.140 4.001 3.960 0.302 0.000 0.218 1005 G C 0.970 175.851 174.900 -0.032 0.000 1.135 1005 G CA 0.032 45.108 45.100 -0.039 0.000 0.784 1005 G HN 0.297 nan 8.290 nan 0.000 0.543 1006 K N 0.846 121.227 120.400 -0.032 0.000 2.090 1006 K HA 0.391 4.892 4.320 0.302 0.000 0.249 1006 K C 0.537 177.131 176.600 -0.010 0.000 0.995 1006 K CA -0.343 55.932 56.287 -0.019 0.000 0.914 1006 K CB 0.942 33.434 32.500 -0.014 0.000 1.057 1006 K HN 0.155 nan 8.250 nan 0.000 0.462 1007 T N -2.133 112.420 114.554 -0.002 0.000 2.795 1007 T HA -0.039 4.492 4.350 0.302 0.000 0.314 1007 T C 1.147 175.852 174.700 0.009 0.000 1.069 1007 T CA -0.344 61.757 62.100 0.000 0.000 1.071 1007 T CB 0.851 69.722 68.868 0.005 0.000 0.988 1007 T HN 0.715 nan 8.240 nan 0.000 0.543 1008 E N -0.173 120.028 120.200 0.001 0.000 2.333 1008 E HA -0.170 4.361 4.350 0.302 0.000 0.198 1008 E C 1.697 178.315 176.600 0.029 0.000 1.007 1008 E CA 0.824 57.228 56.400 0.007 0.000 0.845 1008 E CB 0.068 29.760 29.700 -0.013 0.000 0.766 1008 E HN 0.789 nan 8.360 nan 0.000 0.507 1009 E N 0.784 121.000 120.200 0.026 0.000 2.033 1009 E HA -0.139 4.392 4.350 0.302 0.000 0.189 1009 E C 1.692 178.324 176.600 0.054 0.000 0.979 1009 E CA 1.338 57.758 56.400 0.033 0.000 0.802 1009 E CB 0.126 29.840 29.700 0.022 0.000 0.763 1009 E HN 0.265 nan 8.360 nan 0.000 0.449 1010 E N -0.039 120.193 120.200 0.053 0.000 2.051 1010 E HA -0.179 4.352 4.350 0.302 0.000 0.192 1010 E C 2.030 178.703 176.600 0.122 0.000 0.991 1010 E CA 0.964 57.407 56.400 0.070 0.000 0.799 1010 E CB -0.203 29.522 29.700 0.043 0.000 0.748 1010 E HN 0.311 nan 8.360 nan 0.000 0.449 1011 A N 1.205 124.099 122.820 0.122 0.000 1.883 1011 A HA -0.184 4.317 4.320 0.302 0.000 0.217 1011 A C 2.154 179.926 177.584 0.313 0.000 1.186 1011 A CA 1.129 53.297 52.037 0.217 0.000 0.624 1011 A CB -0.543 18.564 19.000 0.179 0.000 0.822 1011 A HN 0.206 nan 8.150 nan 0.000 0.444 1012 L N -0.372 120.981 121.223 0.217 0.000 2.201 1012 L HA -0.075 4.446 4.340 0.302 0.000 0.212 1012 L C 2.201 179.164 176.870 0.156 0.000 1.105 1012 L CA 2.433 57.387 54.840 0.190 0.000 0.775 1012 L CB -0.658 41.459 42.059 0.097 0.000 0.913 1012 L HN 0.459 nan 8.230 nan 0.000 0.440 1013 K N -1.224 119.255 120.400 0.131 0.000 2.001 1013 K HA -0.254 4.247 4.320 0.302 0.000 0.208 1013 K C 2.320 178.984 176.600 0.107 0.000 1.048 1013 K CA 1.899 58.243 56.287 0.095 0.000 0.932 1013 K CB -0.448 32.103 32.500 0.084 0.000 0.715 1013 K HN 0.482 nan 8.250 nan 0.000 0.437 1014 H N -0.961 118.148 119.070 0.066 0.000 2.319 1014 H HA -0.152 4.585 4.556 0.302 0.000 0.299 1014 H C 1.772 177.113 175.328 0.021 0.000 1.092 1014 H CA 2.408 58.490 56.048 0.056 0.000 1.302 1014 H CB -0.462 29.356 29.762 0.094 0.000 1.373 1014 H HN 0.299 nan 8.280 nan 0.000 0.497 1015 F N 1.043 120.958 119.950 -0.060 0.000 2.126 1015 F HA -0.165 4.543 4.527 0.301 0.000 0.299 1015 F C 2.516 178.111 175.800 -0.342 0.000 1.096 1015 F CA 1.609 59.412 58.000 -0.328 0.000 1.255 1015 F CB -0.248 38.453 39.000 -0.498 0.000 0.997 1015 F HN 0.032 nan 8.300 nan 0.000 0.479 1016 R N -0.378 120.039 120.500 -0.139 0.000 2.096 1016 R HA -0.141 4.380 4.340 0.302 0.000 0.235 1016 R C 2.162 178.342 176.300 -0.201 0.000 1.127 1016 R CA 1.569 57.554 56.100 -0.191 0.000 0.968 1016 R CB -0.619 29.637 30.300 -0.073 0.000 0.861 1016 R HN 0.255 nan 8.270 nan 0.000 0.440 1017 V N 1.293 121.087 119.914 -0.199 0.000 2.270 1017 V HA -0.262 4.039 4.120 0.302 0.000 0.245 1017 V C 2.206 178.152 176.094 -0.247 0.000 1.043 1017 V CA 1.619 63.811 62.300 -0.179 0.000 1.014 1017 V CB -0.359 31.366 31.823 -0.162 0.000 0.645 1017 V HN 0.231 nan 8.190 nan 0.000 0.447 1018 K N -0.496 119.663 120.400 -0.402 0.000 2.074 1018 K HA -0.211 4.290 4.320 0.302 0.000 0.209 1018 K C 2.060 178.389 176.600 -0.452 0.000 1.048 1018 K CA 1.876 57.908 56.287 -0.425 0.000 0.926 1018 K CB -0.796 31.365 32.500 -0.565 0.000 0.713 1018 K HN 0.506 nan 8.250 nan 0.000 0.444 1019 F N 2.885 122.313 119.950 -0.870 0.000 2.075 1019 F HA -0.239 4.469 4.527 0.302 0.000 0.297 1019 F C 1.939 177.567 175.800 -0.287 0.000 1.113 1019 F CA 1.554 59.070 58.000 -0.806 0.000 1.218 1019 F CB -0.250 38.147 39.000 -1.006 0.000 0.984 1019 F HN 0.070 nan 8.300 nan 0.000 0.472 1020 N N 0.776 119.515 118.700 0.065 0.000 2.104 1020 N HA -0.202 4.719 4.740 0.302 0.000 0.190 1020 N C 1.727 177.220 175.510 -0.028 0.000 1.024 1020 N CA 1.762 54.858 53.050 0.077 0.000 0.853 1020 N CB -0.627 37.899 38.487 0.064 0.000 1.008 1020 N HN 0.510 nan 8.380 nan 0.000 0.424 1021 E N 0.506 120.660 120.200 -0.076 0.000 2.118 1021 E HA -0.132 4.399 4.350 0.302 0.000 0.195 1021 E C 1.839 178.403 176.600 -0.060 0.000 0.992 1021 E CA 1.158 57.518 56.400 -0.067 0.000 0.804 1021 E CB -0.086 29.567 29.700 -0.079 0.000 0.741 1021 E HN 0.395 nan 8.360 nan 0.000 0.458 1022 A N 1.013 123.782 122.820 -0.086 0.000 1.929 1022 A HA -0.127 4.374 4.320 0.302 0.000 0.216 1022 A C 2.124 179.678 177.584 -0.051 0.000 1.176 1022 A CA 0.778 52.786 52.037 -0.048 0.000 0.628 1022 A CB -0.389 18.627 19.000 0.026 0.000 0.816 1022 A HN 0.216 nan 8.150 nan 0.000 0.444 1023 L N 0.029 121.200 121.223 -0.086 0.000 2.083 1023 L HA -0.096 4.425 4.340 0.302 0.000 0.209 1023 L C 2.359 179.226 176.870 -0.005 0.000 1.083 1023 L CA 1.796 56.623 54.840 -0.022 0.000 0.752 1023 L CB -0.533 41.542 42.059 0.027 0.000 0.899 1023 L HN 0.337 nan 8.230 nan 0.000 0.433 1024 R N -0.653 119.839 120.500 -0.013 0.000 2.120 1024 R HA -0.179 4.342 4.340 0.302 0.000 0.234 1024 R C 2.107 178.397 176.300 -0.018 0.000 1.123 1024 R CA 1.290 57.383 56.100 -0.012 0.000 0.975 1024 R CB -0.268 30.021 30.300 -0.017 0.000 0.866 1024 R HN 0.336 nan 8.270 nan 0.000 0.446 1025 E N 0.874 121.059 120.200 -0.025 0.000 2.274 1025 E HA -0.021 4.510 4.350 0.302 0.000 0.194 1025 E C 0.041 176.622 176.600 -0.032 0.000 0.996 1025 E CA 0.434 56.809 56.400 -0.042 0.000 0.840 1025 E CB 0.095 29.771 29.700 -0.040 0.000 0.772 1025 E HN -0.052 nan 8.360 nan 0.000 0.491 1026 S N 0.835 116.548 115.700 0.022 0.000 2.457 1026 S HA 0.070 4.721 4.470 0.302 0.000 0.294 1026 S C -0.786 173.891 174.600 0.128 0.000 1.201 1026 S CA -0.246 58.016 58.200 0.104 0.000 1.112 1026 S CB -0.649 62.641 63.200 0.150 0.000 1.018 1026 S HN 0.307 nan 8.310 nan 0.000 0.511 1027 W N 0.000 121.203 121.300 -0.161 0.000 2.388 1027 W HA 0.000 4.841 4.660 0.301 0.000 0.303 1027 W CA 0.000 57.211 57.345 -0.223 0.000 1.226 1027 W CB 0.000 29.209 29.460 -0.418 0.000 1.126 1027 W HN 0.000 nan 8.180 nan 0.000 0.535