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 2x38_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 0.000 176.100 176.094 0.009 0.000 1.182 109 V CA 0.000 62.304 62.300 0.006 0.000 1.235 109 V CB 0.000 31.825 31.823 0.004 0.000 1.184 110 K N 2.382 122.788 120.400 0.011 0.000 2.152 110 K HA -0.204 4.313 4.320 0.328 0.000 0.206 110 K C 1.757 178.370 176.600 0.021 0.000 1.048 110 K CA 2.641 58.938 56.287 0.016 0.000 0.933 110 K CB -0.242 32.268 32.500 0.017 0.000 0.721 110 K HN 0.439 nan 8.250 nan 0.000 0.447 111 K N 0.413 120.824 120.400 0.019 0.000 2.057 111 K HA -0.119 4.398 4.320 0.328 0.000 0.207 111 K C 2.005 178.616 176.600 0.020 0.000 1.049 111 K CA 1.563 57.863 56.287 0.021 0.000 0.931 111 K CB -0.509 32.000 32.500 0.016 0.000 0.714 111 K HN 0.246 nan 8.250 nan 0.000 0.440 112 L N 0.692 121.923 121.223 0.014 0.000 2.017 112 L HA -0.057 4.480 4.340 0.328 0.000 0.208 112 L C 2.156 179.034 176.870 0.014 0.000 1.073 112 L CA 1.505 56.352 54.840 0.012 0.000 0.745 112 L CB -0.228 41.835 42.059 0.007 0.000 0.894 112 L HN 0.302 nan 8.230 nan 0.000 0.432 113 I N -0.389 120.189 120.570 0.014 0.000 2.163 113 I HA -0.326 4.041 4.170 0.328 0.000 0.243 113 I C 2.144 178.277 176.117 0.027 0.000 1.085 113 I CA 1.233 62.542 61.300 0.015 0.000 1.347 113 I CB -0.647 37.361 38.000 0.014 0.000 1.044 113 I HN 0.379 nan 8.210 nan 0.000 0.408 114 N N 0.854 119.576 118.700 0.036 0.000 2.061 114 N HA -0.191 4.746 4.740 0.328 0.000 0.193 114 N C 2.078 177.617 175.510 0.048 0.000 1.030 114 N CA 2.061 55.142 53.050 0.051 0.000 0.856 114 N CB -0.490 38.031 38.487 0.056 0.000 1.023 114 N HN 0.434 nan 8.380 nan 0.000 0.424 115 S N 0.401 116.123 115.700 0.037 0.000 2.402 115 S HA -0.092 4.575 4.470 0.328 0.000 0.229 115 S C 1.844 176.461 174.600 0.027 0.000 1.021 115 S CA 0.747 58.967 58.200 0.034 0.000 0.974 115 S CB -0.265 62.951 63.200 0.025 0.000 0.800 115 S HN 0.313 nan 8.310 nan 0.000 0.484 116 Q N 0.857 120.669 119.800 0.020 0.000 2.050 116 Q HA 0.018 4.555 4.340 0.328 0.000 0.202 116 Q C 2.265 178.275 176.000 0.017 0.000 0.980 116 Q CA 1.862 57.672 55.803 0.010 0.000 0.840 116 Q CB -0.502 28.234 28.738 -0.003 0.000 0.898 116 Q HN 0.606 nan 8.270 nan 0.000 0.424 117 I N 0.448 121.037 120.570 0.031 0.000 2.118 117 I HA -0.341 4.026 4.170 0.328 0.000 0.241 117 I C 2.352 178.507 176.117 0.064 0.000 1.070 117 I CA 1.122 62.456 61.300 0.056 0.000 1.327 117 I CB -0.378 37.671 38.000 0.083 0.000 1.034 117 I HN 0.116 nan 8.210 nan 0.000 0.405 118 S N 0.725 116.454 115.700 0.049 0.000 2.374 118 S HA -0.225 4.441 4.470 0.328 0.000 0.227 118 S C 1.934 176.552 174.600 0.029 0.000 1.037 118 S CA 1.632 59.847 58.200 0.025 0.000 1.024 118 S CB -0.470 62.744 63.200 0.023 0.000 0.861 118 S HN 0.318 nan 8.310 nan 0.000 0.456 119 L N 1.007 122.251 121.223 0.034 0.000 2.027 119 L HA 0.014 4.551 4.340 0.328 0.000 0.206 119 L C 2.108 179.009 176.870 0.052 0.000 1.074 119 L CA 1.192 56.054 54.840 0.037 0.000 0.745 119 L CB -0.489 41.587 42.059 0.028 0.000 0.898 119 L HN 0.238 nan 8.230 nan 0.000 0.433 120 L N 0.285 121.537 121.223 0.049 0.000 1.989 120 L HA -0.203 4.334 4.340 0.328 0.000 0.211 120 L C 2.233 179.190 176.870 0.144 0.000 1.071 120 L CA 2.383 57.264 54.840 0.068 0.000 0.749 120 L CB -0.712 41.352 42.059 0.008 0.000 0.890 120 L HN 0.498 nan 8.230 nan 0.000 0.431 121 I N -3.709 116.939 120.570 0.130 0.000 3.428 121 I HA 0.290 4.657 4.170 0.328 0.000 0.286 121 I C 1.404 177.562 176.117 0.070 0.000 1.287 121 I CA 0.624 61.997 61.300 0.120 0.000 1.396 121 I CB -0.851 37.239 38.000 0.149 0.000 1.062 121 I HN 0.390 nan 8.210 nan 0.000 0.471 122 G N 2.138 110.975 108.800 0.061 0.000 2.198 122 G HA2 -0.329 3.828 3.960 0.328 0.000 0.260 122 G HA3 -0.329 3.828 3.960 0.328 0.000 0.260 122 G C 0.032 174.934 174.900 0.003 0.000 1.025 122 G CA 0.613 45.740 45.100 0.045 0.000 0.769 122 G HN 0.663 nan 8.290 nan 0.000 0.507 123 K N -0.306 120.071 120.400 -0.038 0.000 2.565 123 K HA 0.532 5.049 4.320 0.328 0.000 0.251 123 K C 0.535 176.987 176.600 -0.248 0.000 0.956 123 K CA -0.281 55.912 56.287 -0.156 0.000 0.809 123 K CB 1.040 33.425 32.500 -0.193 0.000 1.267 123 K HN 0.534 nan 8.250 nan 0.000 0.438 124 G N 3.948 112.562 108.800 -0.309 0.000 2.343 124 G HA2 0.109 4.265 3.960 0.328 0.000 0.254 124 G HA3 0.109 4.265 3.960 0.328 0.000 0.254 124 G C 0.952 175.476 174.900 -0.627 0.000 1.277 124 G CA -0.365 44.528 45.100 -0.344 0.000 0.909 124 G HN 0.687 nan 8.290 nan 0.000 0.502 125 L N 1.801 122.830 121.223 -0.323 0.000 2.191 125 L HA -0.156 4.381 4.340 0.328 0.000 0.212 125 L C 2.719 179.458 176.870 -0.220 0.000 1.103 125 L CA 1.707 56.387 54.840 -0.266 0.000 0.769 125 L CB -0.574 41.520 42.059 0.058 0.000 0.908 125 L HN 0.944 nan 8.230 nan 0.000 0.438 126 H N -0.654 118.356 119.070 -0.101 0.000 2.426 126 H HA -0.182 4.570 4.556 0.327 0.000 0.298 126 H C 1.780 177.066 175.328 -0.070 0.000 1.107 126 H CA 1.418 57.436 56.048 -0.050 0.000 1.298 126 H CB -0.519 29.218 29.762 -0.042 0.000 1.377 126 H HN 0.402 nan 8.280 nan 0.000 0.519 127 E N 0.228 120.029 120.200 -0.665 0.000 2.153 127 E HA -0.125 4.421 4.350 0.328 0.000 0.194 127 E C 1.389 177.887 176.600 -0.169 0.000 0.988 127 E CA 0.980 57.123 56.400 -0.429 0.000 0.811 127 E CB -0.182 29.167 29.700 -0.584 0.000 0.746 127 E HN 0.460 nan 8.360 nan 0.000 0.466 128 F N 2.068 121.966 119.950 -0.087 0.000 2.102 128 F HA -0.153 4.571 4.527 0.328 0.000 0.298 128 F C 2.054 177.853 175.800 -0.002 0.000 1.105 128 F CA 0.879 58.859 58.000 -0.032 0.000 1.239 128 F CB -0.788 38.207 39.000 -0.007 0.000 0.991 128 F HN -0.058 nan 8.300 nan 0.000 0.474 129 D N -0.229 120.286 120.400 0.191 0.000 2.123 129 D HA -0.144 4.692 4.640 0.328 0.000 0.196 129 D C 2.288 178.647 176.300 0.097 0.000 0.992 129 D CA 1.677 55.757 54.000 0.133 0.000 0.833 129 D CB -0.485 40.386 40.800 0.119 0.000 0.954 129 D HN 0.183 nan 8.370 nan 0.000 0.455 130 S N 0.431 116.179 115.700 0.081 0.000 2.447 130 S HA -0.030 4.637 4.470 0.328 0.000 0.233 130 S C 2.129 176.758 174.600 0.048 0.000 1.006 130 S CA 0.212 58.448 58.200 0.060 0.000 0.957 130 S CB -0.083 63.150 63.200 0.055 0.000 0.773 130 S HN 0.272 nan 8.310 nan 0.000 0.507 131 L N 0.829 122.087 121.223 0.058 0.000 2.275 131 L HA 0.067 4.604 4.340 0.328 0.000 0.215 131 L C 0.678 177.576 176.870 0.047 0.000 1.119 131 L CA 0.397 55.265 54.840 0.047 0.000 0.790 131 L CB -0.460 41.634 42.059 0.059 0.000 0.919 131 L HN 0.232 nan 8.230 nan 0.000 0.443 132 R N 0.781 121.314 120.500 0.056 0.000 3.225 132 R HA -0.199 4.338 4.340 0.328 0.000 0.245 132 R C -0.286 176.045 176.300 0.052 0.000 0.928 132 R CA 0.500 56.633 56.100 0.055 0.000 0.632 132 R CB -1.926 28.404 30.300 0.049 0.000 1.038 132 R HN 0.290 nan 8.270 nan 0.000 0.461 133 D N -0.034 120.394 120.400 0.046 0.000 2.349 133 D HA 0.228 5.065 4.640 0.328 0.000 0.232 133 D C -1.510 174.804 176.300 0.023 0.000 1.071 133 D CA -2.612 51.404 54.000 0.027 0.000 0.832 133 D CB 1.567 42.369 40.800 0.004 0.000 1.086 133 D HN -0.105 nan 8.370 nan 0.000 0.504 134 P HA -0.148 nan 4.420 nan 0.000 0.216 134 P C 1.144 178.443 177.300 -0.003 0.000 1.153 134 P CA 0.997 64.151 63.100 0.090 0.000 0.858 134 P CB 0.418 32.233 31.700 0.191 0.000 0.789 135 E N -0.357 119.677 120.200 -0.277 0.000 2.058 135 E HA -0.156 4.391 4.350 0.328 0.000 0.194 135 E C 1.854 178.319 176.600 -0.224 0.000 0.997 135 E CA 1.233 57.217 56.400 -0.693 0.000 0.801 135 E CB -0.371 28.739 29.700 -0.983 0.000 0.746 135 E HN -0.073 nan 8.360 nan 0.000 0.450 136 V N 2.001 121.838 119.914 -0.129 0.000 2.295 136 V HA -0.284 4.033 4.120 0.328 0.000 0.246 136 V C 2.043 178.156 176.094 0.031 0.000 1.049 136 V CA 1.962 64.221 62.300 -0.069 0.000 1.024 136 V CB -0.669 31.107 31.823 -0.079 0.000 0.648 136 V HN 0.328 nan 8.190 nan 0.000 0.447 137 N N 0.405 119.128 118.700 0.039 0.000 2.069 137 N HA -0.165 4.772 4.740 0.328 0.000 0.191 137 N C 1.546 177.111 175.510 0.092 0.000 1.031 137 N CA 1.754 54.847 53.050 0.072 0.000 0.852 137 N CB -0.536 37.995 38.487 0.075 0.000 1.018 137 N HN 0.483 nan 8.380 nan 0.000 0.423 138 D N 0.255 120.721 120.400 0.109 0.000 2.097 138 D HA -0.103 4.734 4.640 0.328 0.000 0.197 138 D C 1.762 178.133 176.300 0.117 0.000 0.984 138 D CA 0.394 54.475 54.000 0.135 0.000 0.826 138 D CB -0.597 40.349 40.800 0.242 0.000 0.973 138 D HN 0.181 nan 8.370 nan 0.000 0.460 139 F N 1.907 121.852 119.950 -0.009 0.000 2.091 139 F HA -0.246 4.478 4.527 0.328 0.000 0.299 139 F C 2.342 178.128 175.800 -0.023 0.000 1.103 139 F CA 1.712 59.698 58.000 -0.024 0.000 1.228 139 F CB 0.095 39.051 39.000 -0.072 0.000 0.984 139 F HN -0.171 nan 8.300 nan 0.000 0.477 140 R N -0.633 119.976 120.500 0.183 0.000 2.092 140 R HA -0.104 4.433 4.340 0.328 0.000 0.231 140 R C 2.282 178.591 176.300 0.015 0.000 1.119 140 R CA 1.888 58.051 56.100 0.105 0.000 0.970 140 R CB -0.848 29.509 30.300 0.095 0.000 0.864 140 R HN 0.477 nan 8.270 nan 0.000 0.440 141 T N -0.842 113.724 114.554 0.021 0.000 2.851 141 T HA -0.057 4.489 4.350 0.328 0.000 0.262 141 T C 1.896 176.589 174.700 -0.012 0.000 1.043 141 T CA 0.901 63.010 62.100 0.015 0.000 1.140 141 T CB -0.013 68.876 68.868 0.035 0.000 0.872 141 T HN 0.002 nan 8.240 nan 0.000 0.446 142 K N 0.563 120.937 120.400 -0.043 0.000 2.057 142 K HA 0.138 4.655 4.320 0.328 0.000 0.206 142 K C 2.300 178.855 176.600 -0.076 0.000 1.050 142 K CA 1.147 57.400 56.287 -0.056 0.000 0.935 142 K CB -0.335 32.115 32.500 -0.083 0.000 0.715 142 K HN 0.198 nan 8.250 nan 0.000 0.439 143 M N 0.091 119.571 119.600 -0.201 0.000 2.419 143 M HA -0.007 4.669 4.480 0.328 0.000 0.264 143 M C 2.063 178.352 176.300 -0.019 0.000 1.082 143 M CA 1.129 56.316 55.300 -0.189 0.000 1.119 143 M CB -0.561 31.708 32.600 -0.552 0.000 1.398 143 M HN 0.189 nan 8.290 nan 0.000 0.453 144 R N 0.372 120.859 120.500 -0.021 0.000 2.075 144 R HA -0.179 4.358 4.340 0.328 0.000 0.232 144 R C 2.176 178.485 176.300 0.015 0.000 1.126 144 R CA 1.646 57.753 56.100 0.011 0.000 0.963 144 R CB -0.107 30.203 30.300 0.017 0.000 0.858 144 R HN 0.364 nan 8.270 nan 0.000 0.435 145 Q N -0.485 119.330 119.800 0.026 0.000 2.030 145 Q HA -0.224 4.313 4.340 0.328 0.000 0.204 145 Q C 1.837 177.865 176.000 0.046 0.000 0.986 145 Q CA 2.251 58.072 55.803 0.030 0.000 0.843 145 Q CB -0.270 28.490 28.738 0.037 0.000 0.904 145 Q HN 0.401 nan 8.270 nan 0.000 0.420 146 F N 0.008 119.922 119.950 -0.059 0.000 2.102 146 F HA -0.267 4.456 4.527 0.328 0.000 0.298 146 F C 2.060 177.830 175.800 -0.050 0.000 1.105 146 F CA 1.469 59.435 58.000 -0.056 0.000 1.239 146 F CB -0.604 38.356 39.000 -0.067 0.000 0.991 146 F HN 0.194 nan 8.300 nan 0.000 0.474 147 C N 0.588 119.823 119.300 -0.108 0.000 2.446 147 C HA -0.139 4.518 4.460 0.328 0.000 0.277 147 C C 2.655 177.517 174.990 -0.214 0.000 1.275 147 C CA 1.273 60.172 59.018 -0.199 0.000 1.727 147 C CB -1.203 26.518 27.740 -0.031 0.000 2.010 147 C HN 0.539 nan 8.230 nan 0.000 0.486 148 E N 0.610 120.729 120.200 -0.135 0.000 2.110 148 E HA -0.215 4.332 4.350 0.328 0.000 0.193 148 E C 2.003 178.521 176.600 -0.137 0.000 0.988 148 E CA 1.237 57.569 56.400 -0.114 0.000 0.804 148 E CB -0.138 29.524 29.700 -0.064 0.000 0.745 148 E HN 0.678 nan 8.360 nan 0.000 0.458 149 E N 0.281 120.380 120.200 -0.169 0.000 2.150 149 E HA -0.139 4.408 4.350 0.328 0.000 0.193 149 E C 2.000 178.478 176.600 -0.203 0.000 0.985 149 E CA 0.741 57.045 56.400 -0.159 0.000 0.814 149 E CB -0.041 29.571 29.700 -0.146 0.000 0.752 149 E HN 0.228 nan 8.360 nan 0.000 0.466 150 A N 1.559 124.173 122.820 -0.345 0.000 1.902 150 A HA -0.123 4.394 4.320 0.328 0.000 0.217 150 A C 2.409 179.885 177.584 -0.180 0.000 1.181 150 A CA 1.648 53.496 52.037 -0.315 0.000 0.623 150 A CB -0.685 18.046 19.000 -0.448 0.000 0.818 150 A HN 0.295 nan 8.150 nan 0.000 0.443 151 A N -0.091 122.619 122.820 -0.183 0.000 1.902 151 A HA 0.134 4.650 4.320 0.328 0.000 0.217 151 A C 2.517 180.031 177.584 -0.117 0.000 1.181 151 A CA 2.210 54.156 52.037 -0.153 0.000 0.623 151 A CB -1.073 17.847 19.000 -0.135 0.000 0.818 151 A HN 1.061 nan 8.150 nan 0.000 0.443 152 A N -0.739 122.025 122.820 -0.093 0.000 1.865 152 A HA -0.235 4.282 4.320 0.328 0.000 0.217 152 A C 2.015 179.565 177.584 -0.058 0.000 1.191 152 A CA 2.246 54.242 52.037 -0.069 0.000 0.623 152 A CB -1.127 17.842 19.000 -0.053 0.000 0.826 152 A HN 0.773 nan 8.150 nan 0.000 0.444 153 H N -0.208 118.783 119.070 -0.131 0.000 2.357 153 H HA -0.203 4.549 4.556 0.328 0.000 0.296 153 H C 2.178 177.430 175.328 -0.126 0.000 1.108 153 H CA 2.365 58.341 56.048 -0.119 0.000 1.273 153 H CB -0.126 29.558 29.762 -0.130 0.000 1.367 153 H HN 0.506 nan 8.280 nan 0.000 0.498 154 R N -0.381 120.032 120.500 -0.146 0.000 2.092 154 R HA -0.080 4.457 4.340 0.328 0.000 0.231 154 R C 1.609 177.810 176.300 -0.164 0.000 1.119 154 R CA 1.345 57.312 56.100 -0.221 0.000 0.970 154 R CB 0.157 30.258 30.300 -0.332 0.000 0.864 154 R HN 0.338 nan 8.270 nan 0.000 0.440 155 Q N 0.342 120.054 119.800 -0.148 0.000 2.444 155 Q HA -0.080 4.457 4.340 0.328 0.000 0.206 155 Q C 0.775 176.689 176.000 -0.143 0.000 0.948 155 Q CA 0.874 56.596 55.803 -0.134 0.000 0.946 155 Q CB 0.814 29.477 28.738 -0.124 0.000 1.027 155 Q HN 0.701 nan 8.270 nan 0.000 0.513 156 Q N -1.253 118.450 119.800 -0.161 0.000 2.189 156 Q HA 0.269 4.806 4.340 0.328 0.000 0.223 156 Q C 0.228 176.130 176.000 -0.163 0.000 0.828 156 Q CA -0.221 55.490 55.803 -0.153 0.000 0.967 156 Q CB 0.227 28.876 28.738 -0.147 0.000 1.139 156 Q HN 0.112 nan 8.270 nan 0.000 0.497 157 L N 2.259 123.378 121.223 -0.174 0.000 2.529 157 L HA 0.063 4.599 4.340 0.328 0.000 0.287 157 L C 1.054 177.894 176.870 -0.051 0.000 1.241 157 L CA 0.371 55.134 54.840 -0.128 0.000 0.857 157 L CB 0.114 42.139 42.059 -0.057 0.000 1.113 157 L HN 0.307 nan 8.230 nan 0.000 0.504 158 G N 1.763 110.526 108.800 -0.061 0.000 2.636 158 G HA2 -0.073 4.084 3.960 0.328 0.000 0.246 158 G HA3 -0.073 4.084 3.960 0.328 0.000 0.246 158 G C 0.753 175.655 174.900 0.003 0.000 1.216 158 G CA -0.170 44.901 45.100 -0.048 0.000 0.854 158 G HN 1.040 nan 8.290 nan 0.000 0.572 159 W N 0.425 121.697 121.300 -0.048 0.000 2.388 159 W HA -0.100 4.756 4.660 0.328 0.000 0.294 159 W C 1.298 177.805 176.519 -0.020 0.000 1.212 159 W CA 1.210 58.535 57.345 -0.034 0.000 1.271 159 W CB -1.162 28.230 29.460 -0.113 0.000 1.126 159 W HN 0.196 nan 8.180 nan 0.000 0.535 160 V N 2.025 121.438 119.914 -0.835 0.000 2.427 160 V HA -0.275 4.042 4.120 0.328 0.000 0.248 160 V C 2.481 178.369 176.094 -0.342 0.000 1.051 160 V CA 2.415 64.256 62.300 -0.764 0.000 1.048 160 V CB -0.906 30.363 31.823 -0.923 0.000 0.666 160 V HN 0.119 nan 8.190 nan 0.000 0.456 161 E N -0.589 119.481 120.200 -0.217 0.000 2.077 161 E HA -0.246 4.300 4.350 0.328 0.000 0.193 161 E C 1.984 178.570 176.600 -0.022 0.000 0.989 161 E CA 1.484 57.830 56.400 -0.089 0.000 0.800 161 E CB -0.246 29.414 29.700 -0.066 0.000 0.746 161 E HN 0.785 nan 8.360 nan 0.000 0.452 162 W N 1.711 122.939 121.300 -0.119 0.000 2.317 162 W HA -0.250 4.606 4.660 0.327 0.000 0.318 162 W C 1.651 178.113 176.519 -0.095 0.000 1.227 162 W CA 1.306 58.607 57.345 -0.073 0.000 1.269 162 W CB -0.408 29.015 29.460 -0.062 0.000 1.155 162 W HN 0.089 nan 8.180 nan 0.000 0.484 163 L N 0.761 121.894 121.223 -0.150 0.000 2.042 163 L HA -0.293 4.243 4.340 0.328 0.000 0.210 163 L C 2.869 179.591 176.870 -0.248 0.000 1.076 163 L CA 1.850 56.532 54.840 -0.263 0.000 0.749 163 L CB -0.972 40.863 42.059 -0.374 0.000 0.893 163 L HN 0.055 nan 8.230 nan 0.000 0.432 164 Q N -1.369 118.346 119.800 -0.143 0.000 2.135 164 Q HA -0.277 4.260 4.340 0.328 0.000 0.204 164 Q C 2.047 177.960 176.000 -0.146 0.000 0.981 164 Q CA 2.142 57.944 55.803 -0.001 0.000 0.856 164 Q CB -0.277 28.486 28.738 0.042 0.000 0.902 164 Q HN 0.530 nan 8.270 nan 0.000 0.425 165 Y N -0.138 119.929 120.300 -0.388 0.000 2.163 165 Y HA -0.173 4.574 4.550 0.328 0.000 0.288 165 Y C 2.452 177.962 175.900 -0.651 0.000 1.136 165 Y CA 1.763 59.579 58.100 -0.473 0.000 1.147 165 Y CB -0.444 37.684 38.460 -0.554 0.000 0.987 165 Y HN -0.018 nan 8.280 nan 0.000 0.509 166 S N -1.049 113.816 115.700 -1.390 0.000 2.441 166 S HA 0.105 4.772 4.470 0.328 0.000 0.224 166 S C -0.003 173.795 174.600 -1.338 0.000 1.043 166 S CA 0.144 57.276 58.200 -1.778 0.000 0.948 166 S CB -0.336 61.491 63.200 -2.289 0.000 0.810 166 S HN 0.264 nan 8.310 nan 0.000 0.504 167 F N 2.672 122.376 119.950 -0.409 0.000 2.523 167 F HA 0.513 5.237 4.527 0.327 0.000 0.322 167 F C -2.743 173.047 175.800 -0.017 0.000 1.361 167 F CA -3.148 54.768 58.000 -0.139 0.000 1.151 167 F CB 0.288 39.293 39.000 0.008 0.000 1.391 167 F HN -0.017 nan 8.300 nan 0.000 0.566 168 P HA 0.002 nan 4.420 nan 0.000 0.267 168 P C 0.261 177.585 177.300 0.041 0.000 1.200 168 P CA -0.059 63.051 63.100 0.017 0.000 0.772 168 P CB 0.947 32.596 31.700 -0.085 0.000 0.855 169 L N 2.566 123.782 121.223 -0.011 0.000 2.525 169 L HA -0.032 4.505 4.340 0.328 0.000 0.278 169 L C 1.083 177.918 176.870 -0.059 0.000 1.218 169 L CA 0.638 55.424 54.840 -0.091 0.000 0.878 169 L CB -0.249 41.663 42.059 -0.245 0.000 1.127 169 L HN 0.336 nan 8.230 nan 0.000 0.492 170 Q N 4.869 124.674 119.800 0.008 0.000 2.509 170 Q HA 0.459 4.996 4.340 0.328 0.000 0.236 170 Q C -1.050 174.962 176.000 0.019 0.000 1.073 170 Q CA -0.206 55.604 55.803 0.013 0.000 0.867 170 Q CB 1.114 29.881 28.738 0.049 0.000 1.181 170 Q HN 0.494 nan 8.270 nan 0.000 0.526 171 L N 0.983 122.155 121.223 -0.085 0.000 2.334 171 L HA 0.416 4.953 4.340 0.328 0.000 0.272 171 L C 0.517 177.328 176.870 -0.099 0.000 1.020 171 L CA -1.090 53.654 54.840 -0.161 0.000 0.812 171 L CB 1.286 43.152 42.059 -0.322 0.000 1.264 171 L HN 0.360 nan 8.230 nan 0.000 0.439 172 E N 1.554 121.693 120.200 -0.101 0.000 2.383 172 E HA 0.231 4.777 4.350 0.328 0.000 0.264 172 E C -2.006 174.529 176.600 -0.108 0.000 1.050 172 E CA -1.260 55.094 56.400 -0.076 0.000 0.896 172 E CB 0.438 30.098 29.700 -0.067 0.000 0.982 172 E HN 0.343 nan 8.360 nan 0.000 0.424 188 R N 1.530 122.039 120.500 0.015 0.000 2.295 188 R HA 0.699 5.235 4.340 0.328 0.000 0.324 188 R C -1.121 175.187 176.300 0.013 0.000 0.968 188 R CA -0.371 55.736 56.100 0.011 0.000 0.837 188 R CB 0.719 31.022 30.300 0.005 0.000 1.133 188 R HN 0.512 nan 8.270 nan 0.000 0.450 189 A N 5.533 128.361 122.820 0.014 0.000 2.488 189 A HA 0.365 4.882 4.320 0.328 0.000 0.249 189 A C -0.032 177.563 177.584 0.018 0.000 1.083 189 A CA -0.151 51.898 52.037 0.019 0.000 0.768 189 A CB 0.059 19.071 19.000 0.021 0.000 1.017 189 A HN 0.718 nan 8.150 nan 0.000 0.496 190 L N 1.202 122.440 121.223 0.025 0.000 2.424 190 L HA 0.810 5.347 4.340 0.328 0.000 0.258 190 L C -1.332 175.563 176.870 0.041 0.000 0.995 190 L CA -0.944 53.910 54.840 0.024 0.000 0.821 190 L CB 1.614 43.681 42.059 0.013 0.000 1.383 190 L HN 0.527 nan 8.230 nan 0.000 0.410 191 L N 3.178 124.424 121.223 0.039 0.000 2.307 191 L HA 0.745 5.282 4.340 0.328 0.000 0.282 191 L C -0.825 176.077 176.870 0.052 0.000 1.051 191 L CA -0.940 53.931 54.840 0.052 0.000 0.804 191 L CB 1.862 43.944 42.059 0.037 0.000 1.197 191 L HN 0.473 nan 8.230 nan 0.000 0.431 192 V N 2.654 122.614 119.914 0.075 0.000 2.623 192 V HA 0.248 4.565 4.120 0.328 0.000 0.304 192 V C -0.251 175.859 176.094 0.026 0.000 1.054 192 V CA -0.790 61.549 62.300 0.065 0.000 0.882 192 V CB 1.952 33.839 31.823 0.105 0.000 1.002 192 V HN 0.740 nan 8.190 nan 0.000 0.424 193 N N 3.129 121.734 118.700 -0.158 0.000 2.458 193 N HA 0.489 5.426 4.740 0.328 0.000 0.270 193 N C -1.197 174.223 175.510 -0.150 0.000 1.102 193 N CA -0.017 52.852 53.050 -0.302 0.000 0.967 193 N CB 1.624 39.607 38.487 -0.839 0.000 1.078 193 N HN 0.460 nan 8.380 nan 0.000 0.471 194 V N 3.787 123.692 119.914 -0.014 0.000 2.656 194 V HA 0.454 4.771 4.120 0.328 0.000 0.307 194 V C -0.237 175.901 176.094 0.072 0.000 1.051 194 V CA -0.782 61.572 62.300 0.091 0.000 0.893 194 V CB 1.881 33.902 31.823 0.330 0.000 0.999 194 V HN 0.706 nan 8.190 nan 0.000 0.426 195 K N 2.682 123.068 120.400 -0.024 0.000 2.439 195 K HA 0.777 5.294 4.320 0.328 0.000 0.260 195 K C -1.622 174.927 176.600 -0.086 0.000 1.032 195 K CA -0.836 55.459 56.287 0.014 0.000 0.882 195 K CB 2.201 34.697 32.500 -0.007 0.000 1.420 195 K HN 0.299 nan 8.250 nan 0.000 0.455 196 F N 0.640 120.645 119.950 0.092 0.000 2.507 196 F HA 0.224 4.948 4.527 0.328 0.000 0.327 196 F C 1.875 177.724 175.800 0.082 0.000 1.068 196 F CA -0.604 57.459 58.000 0.105 0.000 0.965 196 F CB 1.977 41.056 39.000 0.133 0.000 1.192 196 F HN 0.911 nan 8.300 nan 0.000 0.476 197 E N 1.569 121.929 120.200 0.266 0.000 2.065 197 E HA -0.189 4.358 4.350 0.328 0.000 0.201 197 E C 1.853 178.536 176.600 0.138 0.000 1.016 197 E CA 1.911 58.411 56.400 0.168 0.000 0.818 197 E CB -0.304 29.496 29.700 0.167 0.000 0.749 197 E HN 0.828 nan 8.360 nan 0.000 0.453 198 G N -0.540 108.350 108.800 0.150 0.000 3.371 198 G HA2 0.159 4.316 3.960 0.328 0.000 0.248 198 G HA3 0.159 4.316 3.960 0.328 0.000 0.248 198 G C -0.247 174.713 174.900 0.099 0.000 1.161 198 G CA 0.189 45.349 45.100 0.101 0.000 0.796 198 G HN 0.157 nan 8.290 nan 0.000 0.539 199 S N -1.053 114.720 115.700 0.121 0.000 2.541 199 S HA 0.377 5.044 4.470 0.328 0.000 0.271 199 S C 0.083 174.725 174.600 0.070 0.000 1.133 199 S CA -0.559 57.702 58.200 0.100 0.000 0.876 199 S CB 1.543 64.826 63.200 0.139 0.000 1.105 199 S HN 0.156 nan 8.310 nan 0.000 0.470 200 E N 1.152 121.368 120.200 0.027 0.000 2.474 200 E HA 0.148 4.695 4.350 0.328 0.000 0.194 200 E C -0.348 176.216 176.600 -0.060 0.000 1.041 200 E CA 0.147 56.544 56.400 -0.005 0.000 0.874 200 E CB 0.229 29.926 29.700 -0.006 0.000 0.914 200 E HN 0.562 nan 8.360 nan 0.000 0.498 201 E N 1.113 121.261 120.200 -0.087 0.000 2.344 201 E HA 0.223 4.770 4.350 0.328 0.000 0.270 201 E C -0.269 176.095 176.600 -0.394 0.000 1.021 201 E CA -0.174 56.095 56.400 -0.218 0.000 0.887 201 E CB 0.933 30.508 29.700 -0.209 0.000 0.997 201 E HN 0.106 nan 8.360 nan 0.000 0.429 202 S N 2.194 117.549 115.700 -0.575 0.000 2.697 202 S HA 0.756 5.422 4.470 0.328 0.000 0.289 202 S C -1.157 172.835 174.600 -1.012 0.000 1.149 202 S CA -0.967 56.802 58.200 -0.719 0.000 0.850 202 S CB 0.874 63.889 63.200 -0.310 0.000 1.151 202 S HN 0.308 nan 8.310 nan 0.000 0.491 203 F N -0.059 119.760 119.950 -0.219 0.000 2.569 203 F HA 0.527 5.251 4.527 0.328 0.000 0.312 203 F C -0.002 175.446 175.800 -0.586 0.000 1.109 203 F CA -0.783 56.950 58.000 -0.445 0.000 0.919 203 F CB 2.246 40.841 39.000 -0.675 0.000 1.211 203 F HN 0.489 nan 8.300 nan 0.000 0.446 204 T N 3.513 117.883 114.554 -0.307 0.000 2.738 204 T HA 0.479 5.025 4.350 0.328 0.000 0.298 204 T C -0.536 174.003 174.700 -0.268 0.000 0.962 204 T CA -0.254 61.700 62.100 -0.244 0.000 0.972 204 T CB -0.126 68.670 68.868 -0.121 0.000 0.928 204 T HN 0.189 nan 8.240 nan 0.000 0.474 205 F N 1.669 121.642 119.950 0.039 0.000 2.380 205 F HA 0.439 5.163 4.527 0.328 0.000 0.321 205 F C 0.921 176.729 175.800 0.013 0.000 1.103 205 F CA -1.072 56.943 58.000 0.026 0.000 1.067 205 F CB 0.952 39.960 39.000 0.014 0.000 1.265 205 F HN 0.330 nan 8.300 nan 0.000 0.517 206 Q N 1.752 121.694 119.800 0.237 0.000 2.307 206 Q HA 0.650 5.187 4.340 0.328 0.000 0.262 206 Q C -1.217 174.849 176.000 0.110 0.000 0.961 206 Q CA -0.627 55.256 55.803 0.134 0.000 0.882 206 Q CB 1.651 30.441 28.738 0.087 0.000 1.264 206 Q HN 0.639 nan 8.270 nan 0.000 0.446 207 V N -0.462 119.497 119.914 0.076 0.000 3.156 207 V HA 0.715 5.032 4.120 0.328 0.000 0.310 207 V C -0.711 175.401 176.094 0.031 0.000 1.234 207 V CA -1.011 61.311 62.300 0.037 0.000 1.065 207 V CB 1.711 33.544 31.823 0.017 0.000 1.088 207 V HN 0.636 nan 8.190 nan 0.000 0.451 208 S N -0.235 115.478 115.700 0.021 0.000 2.509 208 S HA 0.435 5.102 4.470 0.328 0.000 0.297 208 S C 1.173 175.789 174.600 0.027 0.000 1.118 208 S CA 0.227 58.439 58.200 0.021 0.000 1.074 208 S CB 1.396 64.605 63.200 0.015 0.000 1.038 208 S HN 1.365 nan 8.310 nan 0.000 0.498 209 T N 1.891 116.463 114.554 0.029 0.000 3.052 209 T HA -0.112 4.435 4.350 0.328 0.000 0.270 209 T C 1.345 176.068 174.700 0.038 0.000 1.147 209 T CA 1.267 63.391 62.100 0.041 0.000 1.089 209 T CB -0.423 68.467 68.868 0.036 0.000 0.875 209 T HN 0.788 nan 8.240 nan 0.000 0.541 210 K N 0.517 120.931 120.400 0.022 0.000 2.284 210 K HA 0.093 4.610 4.320 0.328 0.000 0.198 210 K C 0.005 176.601 176.600 -0.006 0.000 1.048 210 K CA -0.021 56.268 56.287 0.004 0.000 0.987 210 K CB 0.076 32.579 32.500 0.005 0.000 0.800 210 K HN 0.184 nan 8.250 nan 0.000 0.486 211 D N 1.942 122.348 120.400 0.010 0.000 2.400 211 D HA 0.038 4.874 4.640 0.328 0.000 0.238 211 D C 0.535 176.855 176.300 0.033 0.000 1.157 211 D CA 0.428 54.434 54.000 0.011 0.000 0.889 211 D CB 0.632 41.435 40.800 0.007 0.000 1.199 211 D HN 0.044 nan 8.370 nan 0.000 0.436 212 M N 1.793 121.413 119.600 0.033 0.000 2.227 212 M HA 0.150 4.826 4.480 0.328 0.000 0.316 212 M C -1.410 174.951 176.300 0.101 0.000 1.144 212 M CA -1.919 53.428 55.300 0.078 0.000 1.121 212 M CB -0.094 32.534 32.600 0.047 0.000 1.440 212 M HN -0.015 nan 8.290 nan 0.000 0.473 213 P HA -0.128 nan 4.420 nan 0.000 0.217 213 P C 1.698 179.038 177.300 0.066 0.000 1.148 213 P CA 1.006 64.171 63.100 0.108 0.000 0.828 213 P CB 0.025 31.818 31.700 0.155 0.000 0.783 214 L N -0.495 120.777 121.223 0.082 0.000 2.012 214 L HA -0.197 4.340 4.340 0.328 0.000 0.210 214 L C 2.316 179.191 176.870 0.009 0.000 1.073 214 L CA 2.162 57.039 54.840 0.062 0.000 0.748 214 L CB -1.293 40.807 42.059 0.069 0.000 0.891 214 L HN -0.099 nan 8.230 nan 0.000 0.431 215 A N -0.727 122.088 122.820 -0.009 0.000 1.877 215 A HA -0.246 4.271 4.320 0.328 0.000 0.216 215 A C 2.338 179.851 177.584 -0.118 0.000 1.186 215 A CA 2.039 54.046 52.037 -0.050 0.000 0.620 215 A CB -1.051 17.925 19.000 -0.039 0.000 0.822 215 A HN 0.523 nan 8.150 nan 0.000 0.443 216 L N -1.009 120.143 121.223 -0.117 0.000 2.042 216 L HA -0.213 4.324 4.340 0.328 0.000 0.210 216 L C 2.641 179.354 176.870 -0.262 0.000 1.076 216 L CA 1.852 56.565 54.840 -0.212 0.000 0.749 216 L CB -0.199 41.790 42.059 -0.116 0.000 0.893 216 L HN 0.445 nan 8.230 nan 0.000 0.432 217 M N -1.093 118.420 119.600 -0.144 0.000 2.175 217 M HA -0.145 4.531 4.480 0.328 0.000 0.264 217 M C 2.376 178.591 176.300 -0.141 0.000 1.063 217 M CA 1.439 56.655 55.300 -0.140 0.000 1.119 217 M CB -0.443 32.133 32.600 -0.040 0.000 1.377 217 M HN 0.444 nan 8.290 nan 0.000 0.415 218 A N -0.126 122.629 122.820 -0.109 0.000 1.902 218 A HA -0.185 4.332 4.320 0.328 0.000 0.217 218 A C 2.291 179.785 177.584 -0.151 0.000 1.181 218 A CA 1.697 53.681 52.037 -0.089 0.000 0.623 218 A CB -1.249 17.715 19.000 -0.060 0.000 0.818 218 A HN 0.590 nan 8.150 nan 0.000 0.443 219 C N -1.027 118.101 119.300 -0.287 0.000 2.413 219 C HA 0.010 4.667 4.460 0.328 0.000 0.276 219 C C 3.319 178.072 174.990 -0.394 0.000 1.236 219 C CA 0.913 59.664 59.018 -0.444 0.000 1.735 219 C CB -1.389 25.816 27.740 -0.893 0.000 2.031 219 C HN 0.708 nan 8.230 nan 0.000 0.474 220 A N -0.111 122.468 122.820 -0.401 0.000 1.969 220 A HA -0.054 4.463 4.320 0.328 0.000 0.218 220 A C 2.078 179.762 177.584 0.167 0.000 1.169 220 A CA 1.359 53.416 52.037 0.033 0.000 0.635 220 A CB -0.491 18.517 19.000 0.015 0.000 0.810 220 A HN 0.636 nan 8.150 nan 0.000 0.445 221 L N -1.255 120.011 121.223 0.072 0.000 2.131 221 L HA -0.078 4.458 4.340 0.328 0.000 0.206 221 L C 2.795 179.680 176.870 0.025 0.000 1.087 221 L CA 0.874 55.777 54.840 0.105 0.000 0.767 221 L CB -0.338 41.753 42.059 0.054 0.000 0.917 221 L HN 0.313 nan 8.230 nan 0.000 0.441 222 R N -0.348 120.143 120.500 -0.015 0.000 2.075 222 R HA -0.113 4.424 4.340 0.328 0.000 0.232 222 R C 2.269 178.542 176.300 -0.045 0.000 1.126 222 R CA 0.732 56.818 56.100 -0.023 0.000 0.963 222 R CB -0.221 30.061 30.300 -0.029 0.000 0.858 222 R HN 0.130 nan 8.270 nan 0.000 0.435 223 K N 1.435 121.778 120.400 -0.095 0.000 2.032 223 K HA -0.187 4.330 4.320 0.328 0.000 0.209 223 K C 1.952 178.393 176.600 -0.265 0.000 1.048 223 K CA 1.418 57.537 56.287 -0.280 0.000 0.927 223 K CB -0.190 31.931 32.500 -0.631 0.000 0.712 223 K HN 0.108 nan 8.250 nan 0.000 0.441 224 K N 0.252 120.575 120.400 -0.128 0.000 2.057 224 K HA -0.106 4.411 4.320 0.328 0.000 0.207 224 K C 1.987 178.675 176.600 0.147 0.000 1.049 224 K CA 1.375 57.709 56.287 0.078 0.000 0.931 224 K CB -0.137 32.297 32.500 -0.111 0.000 0.714 224 K HN 0.080 nan 8.250 nan 0.000 0.440 225 A N 0.756 123.605 122.820 0.048 0.000 1.940 225 A HA -0.175 4.341 4.320 0.328 0.000 0.219 225 A C 2.185 179.812 177.584 0.072 0.000 1.176 225 A CA 2.356 54.426 52.037 0.056 0.000 0.631 225 A CB -1.116 17.894 19.000 0.017 0.000 0.814 225 A HN 0.683 nan 8.150 nan 0.000 0.446 226 T N -2.961 111.614 114.554 0.036 0.000 2.851 226 T HA -0.049 4.498 4.350 0.328 0.000 0.262 226 T C 1.698 176.414 174.700 0.027 0.000 1.043 226 T CA 1.338 63.452 62.100 0.023 0.000 1.140 226 T CB -0.719 68.148 68.868 -0.002 0.000 0.872 226 T HN 0.066 nan 8.240 nan 0.000 0.446 227 V N 0.457 120.390 119.914 0.031 0.000 2.358 227 V HA 0.033 4.349 4.120 0.328 0.000 0.246 227 V C 2.128 178.150 176.094 -0.119 0.000 1.047 227 V CA 1.351 63.632 62.300 -0.031 0.000 1.035 227 V CB -0.911 30.918 31.823 0.010 0.000 0.658 227 V HN 0.436 nan 8.190 nan 0.000 0.452 228 F N -0.160 119.791 119.950 0.002 0.000 2.804 228 F HA 0.204 4.928 4.527 0.328 0.000 0.303 228 F C 1.459 177.248 175.800 -0.018 0.000 1.154 228 F CA 0.005 57.995 58.000 -0.017 0.000 1.401 228 F CB 0.071 39.045 39.000 -0.044 0.000 1.106 228 F HN -0.015 nan 8.300 nan 0.000 0.568 229 R N 0.581 121.146 120.500 0.109 0.000 4.000 229 R HA -0.285 4.251 4.340 0.328 0.000 0.348 229 R C 0.411 176.748 176.300 0.062 0.000 1.204 229 R CA 1.084 57.223 56.100 0.064 0.000 0.987 229 R CB -2.081 28.245 30.300 0.043 0.000 1.446 229 R HN 0.664 nan 8.270 nan 0.000 0.555 236 P HA -0.186 nan 4.420 nan 0.000 0.216 236 P C 0.343 177.826 177.300 0.305 0.000 1.150 236 P CA 1.243 64.483 63.100 0.233 0.000 0.843 236 P CB 0.490 32.267 31.700 0.127 0.000 0.787 237 E N -0.465 119.885 120.200 0.250 0.000 2.265 237 E HA -0.151 4.395 4.350 0.328 0.000 0.196 237 E C 1.527 178.345 176.600 0.363 0.000 0.996 237 E CA 0.744 57.308 56.400 0.273 0.000 0.832 237 E CB -0.649 29.169 29.700 0.198 0.000 0.756 237 E HN 0.342 nan 8.360 nan 0.000 0.491 238 E N -0.412 119.932 120.200 0.240 0.000 2.494 238 E HA -0.002 4.544 4.350 0.328 0.000 0.193 238 E C -0.468 175.824 176.600 -0.513 0.000 1.074 238 E CA 0.355 56.683 56.400 -0.121 0.000 0.867 238 E CB 0.136 29.758 29.700 -0.130 0.000 0.924 238 E HN 0.325 nan 8.360 nan 0.000 0.502 239 Y N -0.700 119.639 120.300 0.065 0.000 2.605 239 Y HA 0.564 5.311 4.550 0.328 0.000 0.343 239 Y C 0.043 176.105 175.900 0.270 0.000 1.036 239 Y CA -1.031 57.108 58.100 0.064 0.000 1.065 239 Y CB 1.770 40.301 38.460 0.119 0.000 1.288 239 Y HN -0.176 nan 8.280 nan 0.000 0.481 240 A N 1.322 124.404 122.820 0.437 0.000 2.479 240 A HA 0.845 5.361 4.320 0.328 0.000 0.296 240 A C -1.923 175.870 177.584 0.348 0.000 1.121 240 A CA -0.814 51.492 52.037 0.449 0.000 0.743 240 A CB 1.218 20.512 19.000 0.491 0.000 1.323 240 A HN 0.706 nan 8.150 nan 0.000 0.415 241 L N 1.668 123.054 121.223 0.271 0.000 2.276 241 L HA 0.376 4.913 4.340 0.328 0.000 0.286 241 L C 0.392 177.209 176.870 -0.088 0.000 1.024 241 L CA -0.179 54.701 54.840 0.066 0.000 0.826 241 L CB 1.441 43.493 42.059 -0.011 0.000 1.211 241 L HN 0.842 nan 8.230 nan 0.000 0.422 242 Q N 2.253 121.861 119.800 -0.320 0.000 2.314 242 Q HA 0.298 4.835 4.340 0.328 0.000 0.258 242 Q C -0.750 174.971 176.000 -0.465 0.000 0.954 242 Q CA -0.598 54.730 55.803 -0.791 0.000 0.890 242 Q CB 1.662 29.912 28.738 -0.814 0.000 1.210 242 Q HN 0.389 nan 8.270 nan 0.000 0.410 243 V N 4.495 124.101 119.914 -0.514 0.000 2.555 243 V HA 0.008 4.325 4.120 0.328 0.000 0.286 243 V C 0.069 175.944 176.094 -0.366 0.000 1.044 243 V CA -0.445 61.566 62.300 -0.482 0.000 1.026 243 V CB 0.859 32.270 31.823 -0.686 0.000 0.981 243 V HN 0.780 nan 8.190 nan 0.000 0.480 244 N N 3.527 122.082 118.700 -0.242 0.000 2.454 244 N HA 0.242 5.179 4.740 0.328 0.000 0.260 244 N C 1.235 176.656 175.510 -0.149 0.000 1.218 244 N CA 1.158 54.124 53.050 -0.140 0.000 0.904 244 N CB 0.650 39.120 38.487 -0.028 0.000 1.065 244 N HN 1.063 nan 8.380 nan 0.000 0.462 245 G N 1.357 110.082 108.800 -0.124 0.000 2.187 245 G HA2 -0.336 3.821 3.960 0.328 0.000 0.261 245 G HA3 -0.336 3.821 3.960 0.328 0.000 0.261 245 G C 0.011 174.815 174.900 -0.159 0.000 1.000 245 G CA 0.435 45.467 45.100 -0.114 0.000 0.718 245 G HN 0.617 nan 8.290 nan 0.000 0.519 246 R N -1.441 118.938 120.500 -0.201 0.000 2.854 246 R HA 0.475 5.011 4.340 0.328 0.000 0.271 246 R C -0.698 175.507 176.300 -0.159 0.000 0.994 246 R CA -1.093 54.886 56.100 -0.201 0.000 0.945 246 R CB 0.883 31.062 30.300 -0.201 0.000 1.194 246 R HN 0.164 nan 8.270 nan 0.000 0.476 247 H N 1.397 120.411 119.070 -0.094 0.000 2.768 247 H HA 0.174 4.927 4.556 0.328 0.000 0.219 247 H C -0.581 174.728 175.328 -0.032 0.000 1.898 247 H CA 0.135 56.146 56.048 -0.062 0.000 1.313 247 H CB -0.334 29.541 29.762 0.190 0.000 1.701 247 H HN 0.443 nan 8.280 nan 0.000 0.534 248 E N 0.934 121.087 120.200 -0.079 0.000 2.292 248 E HA 0.350 4.897 4.350 0.328 0.000 0.272 248 E C -1.500 174.981 176.600 -0.199 0.000 0.881 248 E CA -0.765 55.620 56.400 -0.025 0.000 0.754 248 E CB 1.577 31.221 29.700 -0.093 0.000 1.201 248 E HN 0.130 nan 8.360 nan 0.000 0.425 249 Y N 2.433 122.719 120.300 -0.023 0.000 2.442 249 Y HA 0.402 5.148 4.550 0.328 0.000 0.344 249 Y C -0.887 175.022 175.900 0.015 0.000 0.976 249 Y CA -0.837 57.297 58.100 0.056 0.000 1.040 249 Y CB 1.593 40.204 38.460 0.252 0.000 1.228 249 Y HN 0.442 nan 8.280 nan 0.000 0.451 250 L N 5.347 126.583 121.223 0.021 0.000 2.282 250 L HA 0.531 5.067 4.340 0.328 0.000 0.288 250 L C -0.910 175.992 176.870 0.053 0.000 1.033 250 L CA -0.788 53.821 54.840 -0.386 0.000 0.807 250 L CB 0.116 41.751 42.059 -0.707 0.000 1.209 250 L HN 0.625 nan 8.230 nan 0.000 0.423 251 Y N 0.979 121.349 120.300 0.116 0.000 2.779 251 Y HA 0.810 5.556 4.550 0.328 0.000 0.340 251 Y C 0.070 176.265 175.900 0.491 0.000 1.252 251 Y CA -1.165 57.099 58.100 0.275 0.000 1.072 251 Y CB 0.781 39.383 38.460 0.237 0.000 1.343 251 Y HN 0.874 nan 8.280 nan 0.000 0.450 252 G N 1.182 110.306 108.800 0.539 0.000 2.707 252 G HA2 -0.139 4.018 3.960 0.328 0.000 0.686 252 G HA3 -0.139 4.018 3.960 0.328 0.000 0.686 252 G C -1.601 173.412 174.900 0.188 0.000 1.315 252 G CA -0.762 44.574 45.100 0.394 0.000 0.832 252 G HN 0.934 nan 8.290 nan 0.000 0.573 253 N N 0.903 119.483 118.700 -0.200 0.000 2.739 253 N HA 0.408 5.344 4.740 0.328 0.000 0.266 253 N C -1.027 174.109 175.510 -0.625 0.000 1.168 253 N CA 0.559 53.427 53.050 -0.304 0.000 1.055 253 N CB -0.189 38.121 38.487 -0.296 0.000 1.393 253 N HN 0.436 nan 8.380 nan 0.000 0.514 254 Y N 0.477 120.746 120.300 -0.051 0.000 2.396 254 Y HA 0.337 5.084 4.550 0.328 0.000 0.332 254 Y C -2.194 173.567 175.900 -0.233 0.000 1.034 254 Y CA -2.390 55.543 58.100 -0.279 0.000 1.057 254 Y CB 2.061 40.175 38.460 -0.577 0.000 1.220 254 Y HN 0.221 nan 8.280 nan 0.000 0.440 255 P HA 0.091 nan 4.420 nan 0.000 0.268 255 P C 0.873 178.180 177.300 0.011 0.000 1.205 255 P CA 0.079 63.080 63.100 -0.166 0.000 0.771 255 P CB 1.032 32.545 31.700 -0.311 0.000 0.858 256 L N 2.589 123.930 121.223 0.198 0.000 2.151 256 L HA -0.271 4.266 4.340 0.328 0.000 0.215 256 L C 2.478 179.544 176.870 0.326 0.000 1.084 256 L CA 2.147 57.213 54.840 0.376 0.000 0.764 256 L CB -1.471 40.710 42.059 0.204 0.000 0.891 256 L HN 0.487 nan 8.230 nan 0.000 0.435 257 C N -2.585 116.827 119.300 0.187 0.000 2.500 257 C HA -0.031 4.625 4.460 0.328 0.000 0.273 257 C C 2.302 177.419 174.990 0.212 0.000 1.428 257 C CA -0.159 58.965 59.018 0.177 0.000 1.766 257 C CB -1.599 26.225 27.740 0.140 0.000 1.817 257 C HN 0.477 nan 8.230 nan 0.000 0.543 258 H N -0.741 118.292 119.070 -0.062 0.000 2.495 258 H HA 0.094 4.847 4.556 0.328 0.000 0.287 258 H C -0.006 175.147 175.328 -0.292 0.000 1.033 258 H CA 0.451 56.380 56.048 -0.198 0.000 1.307 258 H CB -0.110 29.489 29.762 -0.272 0.000 1.401 258 H HN 0.454 nan 8.280 nan 0.000 0.555 259 F N 1.661 121.669 119.950 0.096 0.000 2.467 259 F HA 0.028 4.751 4.527 0.328 0.000 0.362 259 F C 1.573 177.403 175.800 0.050 0.000 1.090 259 F CA -0.122 57.897 58.000 0.032 0.000 1.202 259 F CB 0.933 39.965 39.000 0.053 0.000 1.113 259 F HN -0.016 nan 8.300 nan 0.000 0.541 260 Q N 1.970 121.894 119.800 0.206 0.000 2.112 260 Q HA -0.289 4.247 4.340 0.328 0.000 0.206 260 Q C 1.721 177.838 176.000 0.194 0.000 0.987 260 Q CA 2.067 57.963 55.803 0.156 0.000 0.858 260 Q CB -0.360 28.453 28.738 0.123 0.000 0.905 260 Q HN 0.828 nan 8.270 nan 0.000 0.420 261 Y N 0.805 121.178 120.300 0.122 0.000 2.145 261 Y HA -0.243 4.504 4.550 0.328 0.000 0.286 261 Y C 1.837 177.795 175.900 0.097 0.000 1.145 261 Y CA 1.258 59.409 58.100 0.086 0.000 1.148 261 Y CB -0.072 38.410 38.460 0.038 0.000 0.981 261 Y HN 0.055 nan 8.280 nan 0.000 0.507 262 I N -0.805 119.744 120.570 -0.035 0.000 2.233 262 I HA -0.275 4.092 4.170 0.328 0.000 0.243 262 I C 2.926 179.004 176.117 -0.065 0.000 1.093 262 I CA 1.270 62.497 61.300 -0.122 0.000 1.380 262 I CB -1.916 36.127 38.000 0.073 0.000 1.067 262 I HN 0.441 nan 8.210 nan 0.000 0.413 263 C N 0.465 119.791 119.300 0.043 0.000 2.413 263 C HA -0.192 4.465 4.460 0.328 0.000 0.276 263 C C 3.457 178.477 174.990 0.050 0.000 1.248 263 C CA 1.846 60.895 59.018 0.051 0.000 1.742 263 C CB -0.933 26.862 27.740 0.091 0.000 2.017 263 C HN 0.614 nan 8.230 nan 0.000 0.481 264 S N -1.075 114.652 115.700 0.044 0.000 2.383 264 S HA -0.162 4.505 4.470 0.328 0.000 0.227 264 S C 1.925 176.537 174.600 0.021 0.000 1.026 264 S CA 1.976 60.222 58.200 0.076 0.000 0.981 264 S CB -0.717 62.533 63.200 0.084 0.000 0.818 264 S HN 0.799 nan 8.310 nan 0.000 0.472 265 C N 1.061 120.289 119.300 -0.119 0.000 2.411 265 C HA 0.036 4.693 4.460 0.328 0.000 0.279 265 C C 2.497 177.450 174.990 -0.062 0.000 1.288 265 C CA 0.649 59.583 59.018 -0.139 0.000 1.764 265 C CB -1.688 25.867 27.740 -0.309 0.000 1.974 265 C HN 0.596 nan 8.230 nan 0.000 0.498 266 L N -0.322 120.857 121.223 -0.072 0.000 1.971 266 L HA -0.241 4.296 4.340 0.328 0.000 0.215 266 L C 2.835 179.653 176.870 -0.088 0.000 1.072 266 L CA 1.821 56.599 54.840 -0.102 0.000 0.758 266 L CB -0.791 41.161 42.059 -0.178 0.000 0.889 266 L HN 0.454 nan 8.230 nan 0.000 0.433 267 H N -0.811 118.265 119.070 0.011 0.000 2.387 267 H HA -0.096 4.657 4.556 0.328 0.000 0.299 267 H C 2.512 177.857 175.328 0.028 0.000 1.090 267 H CA 1.752 57.816 56.048 0.026 0.000 1.332 267 H CB -0.165 29.618 29.762 0.036 0.000 1.386 267 H HN 0.451 nan 8.280 nan 0.000 0.516 268 S N -1.008 114.775 115.700 0.138 0.000 2.428 268 S HA 0.047 4.713 4.470 0.328 0.000 0.230 268 S C 1.904 176.533 174.600 0.048 0.000 1.014 268 S CA 0.839 59.090 58.200 0.085 0.000 0.957 268 S CB 0.040 63.282 63.200 0.070 0.000 0.784 268 S HN 0.616 nan 8.310 nan 0.000 0.499 269 G N 0.398 109.216 108.800 0.030 0.000 2.157 269 G HA2 -0.206 3.951 3.960 0.328 0.000 0.239 269 G HA3 -0.206 3.951 3.960 0.328 0.000 0.239 269 G C -0.161 174.747 174.900 0.013 0.000 0.982 269 G CA 0.087 45.195 45.100 0.013 0.000 0.650 269 G HN 0.467 nan 8.290 nan 0.000 0.527 270 L N 1.701 122.933 121.223 0.014 0.000 2.417 270 L HA 0.518 5.055 4.340 0.328 0.000 0.268 270 L C 1.107 177.996 176.870 0.031 0.000 1.158 270 L CA 0.279 55.134 54.840 0.026 0.000 0.819 270 L CB 1.039 43.117 42.059 0.031 0.000 1.112 270 L HN 0.118 nan 8.230 nan 0.000 0.458 271 T N 5.201 119.807 114.554 0.086 0.000 2.779 271 T HA 0.203 4.750 4.350 0.328 0.000 0.296 271 T C -2.303 172.533 174.700 0.226 0.000 0.938 271 T CA -0.821 61.357 62.100 0.130 0.000 1.119 271 T CB 0.486 69.455 68.868 0.170 0.000 0.891 271 T HN 0.334 nan 8.240 nan 0.000 0.526 272 P HA 0.039 nan 4.420 nan 0.000 0.264 272 P C -0.340 177.151 177.300 0.319 0.000 1.183 272 P CA 0.176 63.385 63.100 0.182 0.000 0.763 272 P CB 0.304 32.030 31.700 0.043 0.000 0.807 273 H N 2.829 122.050 119.070 0.252 0.000 2.708 273 H HA 0.406 5.159 4.556 0.328 0.000 0.320 273 H C -0.369 174.996 175.328 0.061 0.000 0.991 273 H CA -0.556 55.563 56.048 0.118 0.000 1.243 273 H CB 1.002 30.808 29.762 0.073 0.000 1.446 273 H HN 0.257 nan 8.280 nan 0.000 0.502 274 L N 2.303 123.561 121.223 0.059 0.000 2.354 274 L HA 0.434 4.971 4.340 0.328 0.000 0.264 274 L C -0.116 176.716 176.870 -0.063 0.000 1.008 274 L CA -0.753 54.077 54.840 -0.016 0.000 0.819 274 L CB 2.499 44.556 42.059 -0.004 0.000 1.339 274 L HN 0.489 nan 8.230 nan 0.000 0.420 275 T N 2.280 116.769 114.554 -0.109 0.000 2.812 275 T HA 0.446 4.993 4.350 0.328 0.000 0.282 275 T C -0.069 174.550 174.700 -0.134 0.000 0.990 275 T CA -0.650 61.380 62.100 -0.116 0.000 0.960 275 T CB 1.422 70.244 68.868 -0.076 0.000 0.948 275 T HN 0.300 nan 8.240 nan 0.000 0.438 276 M N 3.617 123.053 119.600 -0.273 0.000 2.268 276 M HA 0.212 4.889 4.480 0.328 0.000 0.349 276 M C -0.544 175.811 176.300 0.092 0.000 1.485 276 M CA 0.041 55.179 55.300 -0.269 0.000 1.094 276 M CB 0.107 32.129 32.600 -0.963 0.000 1.843 276 M HN 0.322 nan 8.290 nan 0.000 0.460 277 V N 3.752 123.851 119.914 0.308 0.000 2.444 277 V HA 0.223 4.540 4.120 0.328 0.000 0.294 277 V C -0.242 176.030 176.094 0.297 0.000 1.022 277 V CA -0.863 61.632 62.300 0.326 0.000 0.850 277 V CB 1.583 33.578 31.823 0.287 0.000 0.992 277 V HN 0.778 nan 8.190 nan 0.000 0.426 278 H N 3.012 122.067 119.070 -0.024 0.000 2.629 278 H HA 0.203 4.956 4.556 0.328 0.000 0.357 278 H C 1.569 176.548 175.328 -0.581 0.000 1.121 278 H CA 0.623 56.327 56.048 -0.574 0.000 1.406 278 H CB 1.656 31.126 29.762 -0.487 0.000 1.456 278 H HN 0.755 nan 8.280 nan 0.000 0.579 279 S N 1.625 116.358 115.700 -1.611 0.000 2.402 279 S HA -0.271 4.396 4.470 0.328 0.000 0.233 279 S C 2.211 176.273 174.600 -0.897 0.000 1.030 279 S CA 1.332 58.533 58.200 -1.665 0.000 1.003 279 S CB -0.755 60.992 63.200 -2.422 0.000 0.813 279 S HN 0.694 nan 8.310 nan 0.000 0.477 280 S N 1.475 116.771 115.700 -0.675 0.000 2.423 280 S HA -0.068 4.599 4.470 0.328 0.000 0.231 280 S C 1.957 176.453 174.600 -0.174 0.000 1.014 280 S CA 1.169 59.214 58.200 -0.259 0.000 0.965 280 S CB -0.790 62.396 63.200 -0.023 0.000 0.785 280 S HN 0.618 nan 8.310 nan 0.000 0.495 281 S N 1.186 116.800 115.700 -0.144 0.000 2.395 281 S HA 0.124 4.791 4.470 0.328 0.000 0.225 281 S C 1.758 176.306 174.600 -0.087 0.000 1.027 281 S CA 0.660 58.820 58.200 -0.067 0.000 0.965 281 S CB -0.589 62.619 63.200 0.013 0.000 0.812 281 S HN 0.607 nan 8.310 nan 0.000 0.482 282 I N 1.257 121.745 120.570 -0.137 0.000 2.286 282 I HA -0.084 4.283 4.170 0.328 0.000 0.245 282 I C 2.293 178.265 176.117 -0.241 0.000 1.104 282 I CA 0.939 62.191 61.300 -0.080 0.000 1.397 282 I CB -0.286 37.732 38.000 0.030 0.000 1.072 282 I HN 0.288 nan 8.210 nan 0.000 0.417 283 L N 0.542 121.613 121.223 -0.252 0.000 2.141 283 L HA -0.180 4.357 4.340 0.328 0.000 0.209 283 L C 2.828 179.500 176.870 -0.329 0.000 1.094 283 L CA 1.218 55.877 54.840 -0.302 0.000 0.763 283 L CB -0.659 41.275 42.059 -0.208 0.000 0.908 283 L HN 0.273 nan 8.230 nan 0.000 0.437 284 A N -0.095 122.581 122.820 -0.240 0.000 1.933 284 A HA -0.244 4.273 4.320 0.328 0.000 0.218 284 A C 2.269 179.707 177.584 -0.245 0.000 1.175 284 A CA 1.618 53.537 52.037 -0.197 0.000 0.628 284 A CB -0.360 18.569 19.000 -0.119 0.000 0.814 284 A HN 0.342 nan 8.150 nan 0.000 0.444 285 M N -1.340 118.092 119.600 -0.280 0.000 2.067 285 M HA -0.155 4.522 4.480 0.328 0.000 0.260 285 M C 2.423 178.321 176.300 -0.671 0.000 1.069 285 M CA 2.008 57.122 55.300 -0.310 0.000 1.117 285 M CB -0.410 32.120 32.600 -0.117 0.000 1.334 285 M HN 0.510 nan 8.290 nan 0.000 0.407 286 R N 0.874 120.637 120.500 -1.229 0.000 2.097 286 R HA -0.218 4.319 4.340 0.328 0.000 0.236 286 R C 1.580 177.434 176.300 -0.744 0.000 1.135 286 R CA 2.445 57.578 56.100 -1.611 0.000 0.934 286 R CB -0.459 29.037 30.300 -1.340 0.000 0.846 286 R HN 0.311 nan 8.270 nan 0.000 0.431 287 D N 0.450 120.558 120.400 -0.487 0.000 2.133 287 D HA -0.222 4.615 4.640 0.328 0.000 0.195 287 D C 1.787 177.953 176.300 -0.223 0.000 0.997 287 D CA 1.885 55.711 54.000 -0.289 0.000 0.840 287 D CB -0.390 40.280 40.800 -0.217 0.000 0.947 287 D HN 0.652 nan 8.370 nan 0.000 0.452 288 E N 0.548 120.613 120.200 -0.224 0.000 2.338 288 E HA -0.170 4.377 4.350 0.328 0.000 0.197 288 E C 1.021 177.554 176.600 -0.111 0.000 1.007 288 E CA 0.674 56.996 56.400 -0.130 0.000 0.849 288 E CB -0.267 29.381 29.700 -0.087 0.000 0.774 288 E HN 0.346 nan 8.360 nan 0.000 0.506 289 Q N 1.651 121.314 119.800 -0.229 0.000 2.204 289 Q HA 0.098 4.635 4.340 0.328 0.000 0.209 289 Q C 0.003 175.972 176.000 -0.051 0.000 0.861 289 Q CA -0.024 55.656 55.803 -0.206 0.000 0.971 289 Q CB 0.901 29.415 28.738 -0.375 0.000 1.095 289 Q HN 0.245 nan 8.270 nan 0.000 0.486 290 S N -0.039 115.619 115.700 -0.071 0.000 2.568 290 S HA 0.074 4.741 4.470 0.328 0.000 0.282 290 S C 0.262 174.855 174.600 -0.011 0.000 1.338 290 S CA -0.504 57.664 58.200 -0.054 0.000 1.045 290 S CB 1.125 64.283 63.200 -0.069 0.000 0.873 290 S HN 0.238 nan 8.310 nan 0.000 0.516 317 W N 0.264 121.464 121.300 -0.167 0.000 2.721 317 W HA 0.121 4.978 4.660 0.328 0.000 0.245 317 W C 0.949 177.386 176.519 -0.137 0.000 1.276 317 W CA 0.985 58.195 57.345 -0.225 0.000 1.342 317 W CB -1.425 27.919 29.460 -0.194 0.000 1.135 317 W HN 0.489 nan 8.180 nan 0.000 0.654 318 S N 1.299 116.695 115.700 -0.508 0.000 2.461 318 S HA 0.043 4.709 4.470 0.328 0.000 0.228 318 S C 1.046 175.421 174.600 -0.375 0.000 1.005 318 S CA 0.345 58.153 58.200 -0.653 0.000 0.942 318 S CB -0.270 62.706 63.200 -0.372 0.000 0.776 318 S HN 0.136 nan 8.310 nan 0.000 0.514 319 L N 2.143 123.238 121.223 -0.214 0.000 2.268 319 L HA 0.311 4.847 4.340 0.328 0.000 0.289 319 L C 1.040 177.864 176.870 -0.078 0.000 1.064 319 L CA -0.100 54.673 54.840 -0.112 0.000 0.824 319 L CB 0.555 42.587 42.059 -0.044 0.000 1.202 319 L HN 0.092 nan 8.230 nan 0.000 0.433 320 E N 1.424 121.579 120.200 -0.075 0.000 2.364 320 E HA -0.022 4.524 4.350 0.328 0.000 0.196 320 E C 0.445 177.047 176.600 0.004 0.000 0.990 320 E CA -0.140 56.239 56.400 -0.034 0.000 0.886 320 E CB 0.423 30.091 29.700 -0.054 0.000 0.866 320 E HN 0.646 nan 8.360 nan 0.000 0.493 321 Q N 1.999 121.800 119.800 0.001 0.000 2.386 321 Q HA 0.081 4.618 4.340 0.328 0.000 0.282 321 Q C -2.539 173.495 176.000 0.056 0.000 1.050 321 Q CA -1.494 54.319 55.803 0.018 0.000 0.918 321 Q CB -0.399 28.341 28.738 0.003 0.000 1.266 321 Q HN -0.201 nan 8.270 nan 0.000 0.423 322 P HA 0.011 nan 4.420 nan 0.000 0.266 322 P C -0.687 176.708 177.300 0.159 0.000 1.195 322 P CA -0.144 63.028 63.100 0.120 0.000 0.768 322 P CB 0.149 31.906 31.700 0.094 0.000 0.838 323 F N 3.132 123.142 119.950 0.100 0.000 2.518 323 F HA 0.282 5.006 4.527 0.328 0.000 0.359 323 F C 0.263 176.185 175.800 0.205 0.000 1.118 323 F CA 1.120 59.188 58.000 0.113 0.000 1.287 323 F CB 0.332 39.368 39.000 0.060 0.000 1.132 323 F HN 0.357 nan 8.300 nan 0.000 0.587 324 S N 6.233 121.569 115.700 -0.606 0.000 2.550 324 S HA 0.762 5.429 4.470 0.328 0.000 0.270 324 S C -0.884 173.427 174.600 -0.481 0.000 1.145 324 S CA -0.834 57.188 58.200 -0.298 0.000 0.852 324 S CB 1.474 64.601 63.200 -0.122 0.000 1.119 324 S HN 0.901 nan 8.310 nan 0.000 0.465 325 I N -1.739 118.761 120.570 -0.117 0.000 3.145 325 I HA 0.810 5.176 4.170 0.328 0.000 0.313 325 I C -0.766 175.387 176.117 0.061 0.000 1.122 325 I CA -0.963 60.332 61.300 -0.009 0.000 0.987 325 I CB 2.046 40.149 38.000 0.172 0.000 1.236 325 I HN 0.818 nan 8.210 nan 0.000 0.453 326 E N 2.611 122.871 120.200 0.101 0.000 2.151 326 E HA 0.427 4.974 4.350 0.328 0.000 0.275 326 E C -1.572 175.088 176.600 0.101 0.000 0.936 326 E CA -0.964 55.489 56.400 0.088 0.000 0.777 326 E CB 1.887 31.629 29.700 0.070 0.000 1.108 326 E HN 0.681 nan 8.360 nan 0.000 0.401 327 L N 6.596 127.859 121.223 0.066 0.000 2.261 327 L HA 0.292 4.829 4.340 0.328 0.000 0.289 327 L C -0.067 176.872 176.870 0.114 0.000 1.059 327 L CA 0.325 55.179 54.840 0.024 0.000 0.816 327 L CB 0.399 42.388 42.059 -0.117 0.000 1.191 327 L HN 0.768 nan 8.230 nan 0.000 0.431 328 I N 3.263 123.899 120.570 0.110 0.000 2.315 328 I HA 0.104 4.471 4.170 0.328 0.000 0.233 328 I C 0.448 176.694 176.117 0.215 0.000 1.067 328 I CA 0.695 62.073 61.300 0.130 0.000 1.376 328 I CB -0.072 37.977 38.000 0.082 0.000 1.143 328 I HN 0.743 nan 8.210 nan 0.000 0.421 329 E N -0.588 119.735 120.200 0.206 0.000 2.432 329 E HA 0.639 5.186 4.350 0.328 0.000 0.279 329 E C -0.873 175.842 176.600 0.193 0.000 1.099 329 E CA -1.040 55.499 56.400 0.232 0.000 0.859 329 E CB 1.302 31.041 29.700 0.065 0.000 1.402 329 E HN 0.145 nan 8.360 nan 0.000 0.451 330 G N -0.231 108.668 108.800 0.164 0.000 2.827 330 G HA2 0.673 4.830 3.960 0.328 0.000 0.296 330 G HA3 0.673 4.830 3.960 0.328 0.000 0.296 330 G C -1.376 173.537 174.900 0.023 0.000 1.362 330 G CA -1.150 44.011 45.100 0.100 0.000 0.809 330 G HN 0.511 nan 8.290 nan 0.000 0.522 331 R N 0.435 120.940 120.500 0.009 0.000 2.818 331 R HA 0.347 4.884 4.340 0.328 0.000 0.258 331 R C -0.934 175.368 176.300 0.004 0.000 1.797 331 R CA -0.844 55.253 56.100 -0.004 0.000 1.532 331 R CB 0.881 31.175 30.300 -0.010 0.000 1.413 331 R HN 0.462 nan 8.270 nan 0.000 0.622 332 K N -0.322 120.086 120.400 0.014 0.000 2.380 332 K HA 0.679 5.196 4.320 0.328 0.000 0.243 332 K C -0.556 176.054 176.600 0.017 0.000 1.071 332 K CA -1.247 55.054 56.287 0.022 0.000 0.942 332 K CB 0.924 33.453 32.500 0.050 0.000 1.324 332 K HN 0.020 nan 8.250 nan 0.000 0.517 333 V N 0.502 120.432 119.914 0.027 0.000 2.569 333 V HA 0.514 4.830 4.120 0.328 0.000 0.301 333 V C -1.273 174.843 176.094 0.037 0.000 1.044 333 V CA -0.296 62.018 62.300 0.025 0.000 0.874 333 V CB 1.255 33.090 31.823 0.020 0.000 1.002 333 V HN 0.895 nan 8.190 nan 0.000 0.424 334 N N 2.504 121.224 118.700 0.033 0.000 3.441 334 N HA 0.822 5.759 4.740 0.328 0.000 0.313 334 N C -0.827 174.703 175.510 0.033 0.000 1.526 334 N CA 0.172 53.247 53.050 0.042 0.000 0.871 334 N CB 1.524 40.047 38.487 0.059 0.000 1.779 334 N HN 0.775 nan 8.380 nan 0.000 0.529 340 K N 1.477 121.906 120.400 0.049 0.000 2.123 340 K HA 0.837 5.354 4.320 0.328 0.000 0.248 340 K C -1.289 175.354 176.600 0.072 0.000 0.969 340 K CA -0.323 55.993 56.287 0.049 0.000 0.882 340 K CB 1.516 34.048 32.500 0.055 0.000 1.080 340 K HN 0.473 nan 8.250 nan 0.000 0.441 341 L N 1.239 122.508 121.223 0.076 0.000 2.331 341 L HA 0.638 5.174 4.340 0.328 0.000 0.275 341 L C -0.867 176.084 176.870 0.135 0.000 1.022 341 L CA -0.938 53.971 54.840 0.114 0.000 0.812 341 L CB 1.683 43.848 42.059 0.177 0.000 1.257 341 L HN 0.241 nan 8.230 nan 0.000 0.435 342 V N 2.068 121.932 119.914 -0.083 0.000 3.007 342 V HA 0.521 4.838 4.120 0.328 0.000 0.311 342 V C -0.762 175.013 176.094 -0.532 0.000 1.120 342 V CA -0.754 61.399 62.300 -0.244 0.000 0.980 342 V CB 2.542 34.152 31.823 -0.355 0.000 1.033 342 V HN 0.356 nan 8.190 nan 0.000 0.429 343 V N 2.576 122.222 119.914 -0.447 0.000 2.444 343 V HA 0.469 4.786 4.120 0.328 0.000 0.294 343 V C -0.302 175.699 176.094 -0.155 0.000 1.022 343 V CA -0.459 61.608 62.300 -0.388 0.000 0.850 343 V CB 1.514 32.990 31.823 -0.578 0.000 0.992 343 V HN 0.923 nan 8.190 nan 0.000 0.426 344 Q N 2.815 122.651 119.800 0.060 0.000 2.256 344 Q HA 0.780 5.317 4.340 0.328 0.000 0.257 344 Q C -0.696 175.428 176.000 0.206 0.000 0.936 344 Q CA -0.503 55.418 55.803 0.196 0.000 0.903 344 Q CB 1.955 30.918 28.738 0.374 0.000 1.263 344 Q HN 0.924 nan 8.270 nan 0.000 0.440 345 A N 2.279 125.197 122.820 0.164 0.000 2.393 345 A HA 0.889 5.405 4.320 0.328 0.000 0.306 345 A C -0.805 176.947 177.584 0.281 0.000 1.050 345 A CA -0.189 51.933 52.037 0.141 0.000 0.724 345 A CB 1.914 20.991 19.000 0.128 0.000 1.248 345 A HN 0.750 nan 8.150 nan 0.000 0.424 346 G N 0.309 109.232 108.800 0.205 0.000 2.659 346 G HA2 0.591 4.748 3.960 0.328 0.000 0.296 346 G HA3 0.591 4.748 3.960 0.328 0.000 0.296 346 G C -1.424 173.405 174.900 -0.119 0.000 1.369 346 G CA -0.626 44.559 45.100 0.141 0.000 0.937 346 G HN 0.689 nan 8.290 nan 0.000 0.485 347 L N 0.530 121.496 121.223 -0.429 0.000 2.307 347 L HA 0.652 5.189 4.340 0.328 0.000 0.284 347 L C -0.946 175.655 176.870 -0.449 0.000 1.023 347 L CA -0.607 53.974 54.840 -0.431 0.000 0.810 347 L CB 1.510 43.186 42.059 -0.637 0.000 1.231 347 L HN 0.385 nan 8.230 nan 0.000 0.423 348 F N 0.172 120.034 119.950 -0.147 0.000 2.588 348 F HA 0.368 5.092 4.527 0.328 0.000 0.314 348 F C -0.220 175.529 175.800 -0.085 0.000 1.069 348 F CA -0.743 57.202 58.000 -0.092 0.000 0.931 348 F CB 1.802 40.759 39.000 -0.071 0.000 1.260 348 F HN 0.394 nan 8.300 nan 0.000 0.465 349 H N 1.156 120.202 119.070 -0.040 0.000 2.866 349 H HA 0.542 5.295 4.556 0.328 0.000 0.287 349 H C 0.254 175.360 175.328 -0.372 0.000 1.106 349 H CA 0.289 56.203 56.048 -0.222 0.000 1.396 349 H CB 0.355 29.977 29.762 -0.234 0.000 1.469 349 H HN 0.847 nan 8.280 nan 0.000 0.500 350 G N 3.974 112.330 108.800 -0.739 0.000 2.531 350 G HA2 -0.410 3.746 3.960 0.328 0.000 0.274 350 G HA3 -0.410 3.746 3.960 0.328 0.000 0.274 350 G C 0.833 175.554 174.900 -0.298 0.000 1.159 350 G CA 0.309 44.810 45.100 -0.998 0.000 0.969 350 G HN 0.572 nan 8.290 nan 0.000 0.554 351 N N 1.637 120.242 118.700 -0.158 0.000 2.354 351 N HA 0.055 4.992 4.740 0.328 0.000 0.179 351 N C 0.726 176.340 175.510 0.174 0.000 1.021 351 N CA 1.270 54.359 53.050 0.065 0.000 0.887 351 N CB -0.094 38.389 38.487 -0.006 0.000 0.974 351 N HN 0.589 nan 8.380 nan 0.000 0.437 352 E N 0.864 121.109 120.200 0.075 0.000 2.259 352 E HA 0.170 4.716 4.350 0.328 0.000 0.281 352 E C 0.186 176.818 176.600 0.054 0.000 1.037 352 E CA -0.029 56.417 56.400 0.077 0.000 0.854 352 E CB 0.664 30.378 29.700 0.022 0.000 1.051 352 E HN 0.144 nan 8.360 nan 0.000 0.409 353 M N 3.646 123.180 119.600 -0.110 0.000 2.238 353 M HA 0.073 4.749 4.480 0.328 0.000 0.347 353 M C 0.604 176.767 176.300 -0.228 0.000 1.173 353 M CA 0.146 55.173 55.300 -0.455 0.000 1.147 353 M CB 0.453 32.750 32.600 -0.505 0.000 1.547 353 M HN 0.495 nan 8.290 nan 0.000 0.455 354 L N 2.249 123.327 121.223 -0.242 0.000 2.509 354 L HA 0.109 4.646 4.340 0.328 0.000 0.222 354 L C 0.445 177.257 176.870 -0.096 0.000 1.123 354 L CA -0.015 54.751 54.840 -0.124 0.000 0.856 354 L CB -0.098 41.892 42.059 -0.116 0.000 0.985 354 L HN 0.965 nan 8.230 nan 0.000 0.456 355 C N -3.495 115.736 119.300 -0.115 0.000 3.259 355 C HA 0.304 4.960 4.460 0.328 0.000 0.344 355 C C -0.641 174.330 174.990 -0.032 0.000 1.401 355 C CA -1.884 57.116 59.018 -0.030 0.000 1.219 355 C CB 0.993 28.767 27.740 0.056 0.000 1.521 355 C HN 0.253 nan 8.230 nan 0.000 0.455 356 K N 1.039 121.445 120.400 0.009 0.000 2.440 356 K HA 0.421 4.938 4.320 0.328 0.000 0.270 356 K C 0.342 176.971 176.600 0.048 0.000 0.980 356 K CA 0.823 57.111 56.287 0.003 0.000 0.953 356 K CB -0.016 32.485 32.500 0.000 0.000 0.925 356 K HN 0.985 nan 8.250 nan 0.000 0.497 357 T N -1.574 112.996 114.554 0.026 0.000 2.860 357 T HA 0.349 4.896 4.350 0.328 0.000 0.299 357 T C 0.363 175.050 174.700 -0.023 0.000 1.045 357 T CA -0.763 61.381 62.100 0.074 0.000 1.071 357 T CB 1.058 69.977 68.868 0.086 0.000 0.985 357 T HN 0.640 nan 8.240 nan 0.000 0.537 358 V N -1.256 118.594 119.914 -0.106 0.000 2.876 358 V HA 0.877 5.194 4.120 0.328 0.000 0.312 358 V C -0.486 175.538 176.094 -0.116 0.000 1.085 358 V CA -0.760 61.401 62.300 -0.232 0.000 0.945 358 V CB 1.932 33.398 31.823 -0.594 0.000 1.017 358 V HN 1.054 nan 8.190 nan 0.000 0.428 359 S N 1.856 117.506 115.700 -0.084 0.000 2.638 359 S HA 0.730 5.397 4.470 0.328 0.000 0.302 359 S C -0.055 174.504 174.600 -0.069 0.000 1.096 359 S CA -0.493 57.684 58.200 -0.038 0.000 0.953 359 S CB 2.023 65.239 63.200 0.026 0.000 1.107 359 S HN 1.024 nan 8.310 nan 0.000 0.503 360 S N 1.433 117.075 115.700 -0.098 0.000 2.655 360 S HA 0.464 5.131 4.470 0.328 0.000 0.265 360 S C 0.212 174.830 174.600 0.030 0.000 1.240 360 S CA -0.642 57.500 58.200 -0.098 0.000 0.986 360 S CB 0.590 63.611 63.200 -0.300 0.000 0.985 360 S HN 0.811 nan 8.310 nan 0.000 0.562 361 S N 0.728 116.505 115.700 0.128 0.000 2.584 361 S HA 0.319 4.986 4.470 0.328 0.000 0.273 361 S C -0.423 174.305 174.600 0.214 0.000 1.311 361 S CA -0.788 57.501 58.200 0.148 0.000 1.034 361 S CB 0.301 63.582 63.200 0.135 0.000 0.939 361 S HN 0.636 nan 8.310 nan 0.000 0.513 362 E N 1.078 121.358 120.200 0.134 0.000 2.366 362 E HA 0.326 4.873 4.350 0.328 0.000 0.266 362 E C -0.868 175.783 176.600 0.085 0.000 1.015 362 E CA -0.198 56.274 56.400 0.120 0.000 0.906 362 E CB 0.680 30.427 29.700 0.079 0.000 0.979 362 E HN 0.456 nan 8.360 nan 0.000 0.443 363 V N 3.753 123.705 119.914 0.064 0.000 2.638 363 V HA 0.137 4.454 4.120 0.328 0.000 0.306 363 V C -0.105 175.948 176.094 -0.067 0.000 1.052 363 V CA -1.400 60.856 62.300 -0.073 0.000 0.885 363 V CB 1.837 33.473 31.823 -0.312 0.000 0.999 363 V HN 0.630 nan 8.190 nan 0.000 0.424 364 N N 2.037 120.694 118.700 -0.071 0.000 2.292 364 N HA -0.012 4.925 4.740 0.328 0.000 0.242 364 N C 1.244 176.718 175.510 -0.060 0.000 1.243 364 N CA -0.021 52.999 53.050 -0.050 0.000 0.851 364 N CB 0.991 39.448 38.487 -0.050 0.000 1.093 364 N HN 0.445 nan 8.380 nan 0.000 0.450 365 V N 0.415 120.314 119.914 -0.025 0.000 2.568 365 V HA -0.190 4.127 4.120 0.328 0.000 0.253 365 V C 1.437 177.508 176.094 -0.037 0.000 1.072 365 V CA 0.684 62.974 62.300 -0.016 0.000 1.084 365 V CB -0.223 31.606 31.823 0.011 0.000 0.676 365 V HN 0.779 nan 8.190 nan 0.000 0.469 366 C N 0.836 120.108 119.300 -0.047 0.000 2.563 366 C HA 0.376 5.033 4.460 0.328 0.000 0.411 366 C C 1.030 175.969 174.990 -0.086 0.000 1.386 366 C CA 0.878 59.862 59.018 -0.055 0.000 1.703 366 C CB -1.218 26.489 27.740 -0.054 0.000 2.596 366 C HN 0.777 nan 8.230 nan 0.000 0.605 367 S N 1.538 117.193 115.700 -0.075 0.000 4.079 367 S HA 0.072 4.739 4.470 0.328 0.000 0.635 367 S C -0.369 174.192 174.600 -0.065 0.000 0.709 367 S CA 0.275 58.420 58.200 -0.092 0.000 0.990 367 S CB -0.586 62.519 63.200 -0.159 0.000 0.609 367 S HN 1.369 nan 8.310 nan 0.000 0.925 368 E N -0.077 120.087 120.200 -0.060 0.000 2.513 368 E HA -0.129 4.418 4.350 0.328 0.000 0.257 368 E C -2.310 174.212 176.600 -0.129 0.000 1.098 368 E CA 1.259 57.615 56.400 -0.073 0.000 0.752 368 E CB -1.100 28.563 29.700 -0.061 0.000 1.324 368 E HN 0.352 nan 8.360 nan 0.000 0.403 369 P HA 0.110 nan 4.420 nan 0.000 0.269 369 P C -0.367 176.701 177.300 -0.386 0.000 1.215 369 P CA -0.061 62.785 63.100 -0.422 0.000 0.780 369 P CB 1.017 32.307 31.700 -0.682 0.000 0.898 370 V N 3.317 122.923 119.914 -0.513 0.000 2.525 370 V HA 0.214 4.530 4.120 0.328 0.000 0.299 370 V C 0.379 176.247 176.094 -0.376 0.000 1.034 370 V CA -0.303 61.826 62.300 -0.286 0.000 0.863 370 V CB 1.993 33.712 31.823 -0.173 0.000 0.999 370 V HN 0.722 nan 8.190 nan 0.000 0.423 371 W N 1.713 122.994 121.300 -0.032 0.000 2.922 371 W HA 0.189 5.045 4.660 0.328 0.000 0.260 371 W C 1.225 177.730 176.519 -0.024 0.000 1.088 371 W CA -0.007 57.322 57.345 -0.027 0.000 1.694 371 W CB 0.186 29.633 29.460 -0.023 0.000 1.064 371 W HN 0.619 nan 8.180 nan 0.000 0.611 372 K N 0.386 120.908 120.400 0.203 0.000 3.130 372 K HA -0.206 4.310 4.320 0.328 0.000 0.282 372 K C 0.010 176.666 176.600 0.092 0.000 1.145 372 K CA 0.715 57.061 56.287 0.098 0.000 0.831 372 K CB -1.376 31.150 32.500 0.042 0.000 1.226 372 K HN 0.133 nan 8.250 nan 0.000 0.478 373 Q N 1.089 120.972 119.800 0.137 0.000 2.256 373 Q HA 0.263 4.800 4.340 0.328 0.000 0.257 373 Q C 0.045 176.072 176.000 0.045 0.000 0.936 373 Q CA -0.497 55.358 55.803 0.087 0.000 0.903 373 Q CB 1.383 30.190 28.738 0.114 0.000 1.263 373 Q HN 0.038 nan 8.270 nan 0.000 0.440 374 R N 2.468 122.979 120.500 0.018 0.000 2.265 374 R HA 0.420 4.956 4.340 0.328 0.000 0.314 374 R C -0.183 176.106 176.300 -0.019 0.000 1.053 374 R CA -0.302 55.799 56.100 0.001 0.000 0.931 374 R CB 0.009 30.301 30.300 -0.012 0.000 1.024 374 R HN 0.473 nan 8.270 nan 0.000 0.457 375 L N 2.047 123.260 121.223 -0.017 0.000 2.280 375 L HA 0.438 4.975 4.340 0.328 0.000 0.287 375 L C 0.423 177.241 176.870 -0.087 0.000 1.023 375 L CA -0.522 54.270 54.840 -0.081 0.000 0.819 375 L CB 1.339 43.358 42.059 -0.066 0.000 1.212 375 L HN 0.508 nan 8.230 nan 0.000 0.420 376 E N 2.809 122.920 120.200 -0.147 0.000 2.183 376 E HA 0.522 5.069 4.350 0.328 0.000 0.271 376 E C -1.513 174.999 176.600 -0.146 0.000 0.919 376 E CA -0.659 55.706 56.400 -0.059 0.000 0.781 376 E CB 1.493 31.178 29.700 -0.026 0.000 1.140 376 E HN 0.327 nan 8.360 nan 0.000 0.402 377 F N 1.936 121.949 119.950 0.106 0.000 2.422 377 F HA 0.150 4.873 4.527 0.328 0.000 0.333 377 F C 0.685 176.533 175.800 0.080 0.000 1.095 377 F CA -0.750 57.317 58.000 0.113 0.000 1.038 377 F CB 1.267 40.383 39.000 0.193 0.000 1.156 377 F HN 0.447 nan 8.300 nan 0.000 0.483 378 D N 3.901 124.427 120.400 0.211 0.000 2.767 378 D HA 0.186 5.022 4.640 0.328 0.000 0.231 378 D C -0.800 175.580 176.300 0.132 0.000 1.105 378 D CA 0.568 54.644 54.000 0.126 0.000 1.024 378 D CB -0.541 40.300 40.800 0.068 0.000 1.123 378 D HN 0.437 nan 8.370 nan 0.000 0.470 379 I N -0.005 120.664 120.570 0.165 0.000 2.753 379 I HA 0.156 4.522 4.170 0.328 0.000 0.291 379 I C -0.989 175.216 176.117 0.147 0.000 1.425 379 I CA -0.612 60.761 61.300 0.123 0.000 1.039 379 I CB 1.775 39.820 38.000 0.074 0.000 1.349 379 I HN -0.049 nan 8.210 nan 0.000 0.430 380 S N 4.380 120.150 115.700 0.117 0.000 2.549 380 S HA 0.181 4.848 4.470 0.328 0.000 0.279 380 S C 1.117 175.798 174.600 0.135 0.000 1.321 380 S CA -0.327 57.944 58.200 0.117 0.000 1.054 380 S CB 1.426 64.686 63.200 0.099 0.000 0.899 380 S HN 0.509 nan 8.310 nan 0.000 0.497 381 V N 4.728 124.729 119.914 0.144 0.000 2.380 381 V HA -0.226 4.090 4.120 0.328 0.000 0.251 381 V C 2.569 178.735 176.094 0.121 0.000 1.063 381 V CA 2.248 64.648 62.300 0.167 0.000 1.055 381 V CB -1.244 30.670 31.823 0.151 0.000 0.657 381 V HN 1.129 nan 8.190 nan 0.000 0.455 382 C N -1.024 118.310 119.300 0.057 0.000 2.472 382 C HA -0.006 4.651 4.460 0.328 0.000 0.278 382 C C 1.808 176.810 174.990 0.019 0.000 1.447 382 C CA 0.198 59.198 59.018 -0.031 0.000 1.773 382 C CB -1.158 26.485 27.740 -0.162 0.000 1.793 382 C HN 0.538 nan 8.230 nan 0.000 0.544 383 D N 1.041 121.539 120.400 0.164 0.000 2.350 383 D HA 0.188 5.024 4.640 0.328 0.000 0.213 383 D C 0.642 177.066 176.300 0.206 0.000 1.031 383 D CA 0.196 54.347 54.000 0.252 0.000 0.861 383 D CB -0.063 40.858 40.800 0.203 0.000 0.926 383 D HN 0.566 nan 8.370 nan 0.000 0.520 384 L N 3.772 125.116 121.223 0.202 0.000 2.562 384 L HA 0.114 4.651 4.340 0.328 0.000 0.271 384 L C -1.851 175.265 176.870 0.410 0.000 1.167 384 L CA -1.116 53.861 54.840 0.227 0.000 0.917 384 L CB -0.200 41.991 42.059 0.219 0.000 1.187 384 L HN -0.180 nan 8.230 nan 0.000 0.482 385 P HA 0.105 nan 4.420 nan 0.000 0.274 385 P C 0.273 177.653 177.300 0.134 0.000 1.256 385 P CA -0.684 62.595 63.100 0.297 0.000 0.795 385 P CB 0.873 32.651 31.700 0.131 0.000 1.038 386 R N 1.283 121.514 120.500 -0.449 0.000 2.103 386 R HA -0.093 4.443 4.340 0.328 0.000 0.242 386 R C 1.661 177.842 176.300 -0.198 0.000 1.142 386 R CA 2.072 57.598 56.100 -0.956 0.000 0.960 386 R CB -0.905 28.688 30.300 -1.179 0.000 0.858 386 R HN 0.373 nan 8.270 nan 0.000 0.439 387 M N 0.546 120.133 119.600 -0.021 0.000 2.530 387 M HA 0.323 5.000 4.480 0.328 0.000 0.231 387 M C 0.058 176.400 176.300 0.070 0.000 1.180 387 M CA -0.238 55.077 55.300 0.024 0.000 0.985 387 M CB -0.670 31.861 32.600 -0.115 0.000 1.623 387 M HN 0.123 nan 8.290 nan 0.000 0.475 388 A N 2.171 125.091 122.820 0.165 0.000 2.566 388 A HA 0.135 4.652 4.320 0.328 0.000 0.245 388 A C 0.510 178.114 177.584 0.033 0.000 1.056 388 A CA 0.352 52.448 52.037 0.097 0.000 0.757 388 A CB -0.113 18.936 19.000 0.083 0.000 0.979 388 A HN 0.600 nan 8.150 nan 0.000 0.508 389 R N 2.897 123.391 120.500 -0.010 0.000 2.409 389 R HA 0.510 5.046 4.340 0.328 0.000 0.313 389 R C -1.420 174.868 176.300 -0.020 0.000 0.953 389 R CA -0.750 55.350 56.100 -0.000 0.000 0.849 389 R CB 0.867 31.177 30.300 0.016 0.000 1.171 389 R HN 0.659 nan 8.270 nan 0.000 0.458 390 L N 5.652 126.840 121.223 -0.059 0.000 2.265 390 L HA 0.440 4.977 4.340 0.328 0.000 0.288 390 L C -1.378 175.419 176.870 -0.121 0.000 1.058 390 L CA -0.190 54.553 54.840 -0.161 0.000 0.809 390 L CB 0.987 42.937 42.059 -0.181 0.000 1.179 390 L HN 0.705 nan 8.230 nan 0.000 0.429 391 C N 5.247 124.464 119.300 -0.138 0.000 2.351 391 C HA 0.633 5.290 4.460 0.328 0.000 0.326 391 C C -0.356 174.531 174.990 -0.172 0.000 1.272 391 C CA -0.714 58.289 59.018 -0.025 0.000 1.650 391 C CB 0.370 28.158 27.740 0.081 0.000 2.257 391 C HN 0.697 nan 8.230 nan 0.000 0.505 392 F N 1.673 121.759 119.950 0.227 0.000 2.508 392 F HA 0.702 5.426 4.527 0.328 0.000 0.325 392 F C 0.462 176.408 175.800 0.244 0.000 1.090 392 F CA -0.373 57.746 58.000 0.200 0.000 0.945 392 F CB 1.341 40.420 39.000 0.132 0.000 1.156 392 F HN 0.681 nan 8.300 nan 0.000 0.463 393 A N 3.265 126.334 122.820 0.415 0.000 2.371 393 A HA 0.787 5.304 4.320 0.328 0.000 0.311 393 A C -1.860 175.901 177.584 0.296 0.000 1.068 393 A CA -0.669 51.606 52.037 0.398 0.000 0.744 393 A CB 1.496 20.741 19.000 0.409 0.000 1.239 393 A HN 0.852 nan 8.150 nan 0.000 0.435 394 L N 3.140 124.510 121.223 0.246 0.000 2.322 394 L HA 0.883 5.420 4.340 0.328 0.000 0.281 394 L C -1.172 175.826 176.870 0.214 0.000 1.014 394 L CA -0.505 54.391 54.840 0.093 0.000 0.815 394 L CB 1.157 43.258 42.059 0.070 0.000 1.247 394 L HN 0.836 nan 8.230 nan 0.000 0.421 395 Y N 3.040 123.419 120.300 0.131 0.000 2.655 395 Y HA 0.901 5.647 4.550 0.328 0.000 0.336 395 Y C -0.972 174.999 175.900 0.119 0.000 1.154 395 Y CA -1.047 57.124 58.100 0.119 0.000 1.055 395 Y CB 0.934 39.457 38.460 0.105 0.000 1.295 395 Y HN 0.632 nan 8.280 nan 0.000 0.465 396 A N 1.011 124.023 122.820 0.319 0.000 2.320 396 A HA 0.857 5.374 4.320 0.328 0.000 0.334 396 A C -1.452 176.283 177.584 0.252 0.000 1.147 396 A CA -0.833 51.332 52.037 0.214 0.000 0.820 396 A CB 1.618 20.705 19.000 0.144 0.000 1.218 396 A HN 1.146 nan 8.150 nan 0.000 0.482 397 V N 2.091 122.114 119.914 0.183 0.000 3.012 397 V HA 0.484 4.801 4.120 0.328 0.000 0.307 397 V C -0.195 175.963 176.094 0.106 0.000 1.166 397 V CA -0.450 61.949 62.300 0.165 0.000 0.974 397 V CB 2.267 34.220 31.823 0.217 0.000 1.040 397 V HN 0.911 nan 8.190 nan 0.000 0.428 416 C N 3.874 123.238 119.300 0.106 0.000 2.409 416 C HA 0.501 5.158 4.460 0.328 0.000 0.297 416 C C -2.526 172.560 174.990 0.160 0.000 1.083 416 C CA -1.773 57.311 59.018 0.110 0.000 1.515 416 C CB -0.489 27.315 27.740 0.107 0.000 1.869 416 C HN 0.292 nan 8.230 nan 0.000 0.413 417 P HA 0.314 nan 4.420 nan 0.000 0.269 417 P C 0.267 177.677 177.300 0.182 0.000 1.209 417 P CA 0.300 63.507 63.100 0.179 0.000 0.776 417 P CB 0.792 32.562 31.700 0.117 0.000 0.876 418 I N 0.514 121.214 120.570 0.216 0.000 3.878 418 I HA 0.381 4.748 4.170 0.328 0.000 0.273 418 I C 0.636 176.859 176.117 0.177 0.000 1.165 418 I CA 0.267 61.670 61.300 0.171 0.000 1.360 418 I CB 0.341 38.431 38.000 0.151 0.000 1.539 418 I HN 0.325 nan 8.210 nan 0.000 0.447 419 A N 0.364 123.313 122.820 0.215 0.000 2.601 419 A HA 0.635 5.151 4.320 0.328 0.000 0.291 419 A C -2.253 175.518 177.584 0.312 0.000 1.075 419 A CA -0.531 51.621 52.037 0.192 0.000 0.671 419 A CB 1.055 20.090 19.000 0.057 0.000 1.277 419 A HN 0.315 nan 8.150 nan 0.000 0.417 420 W N -1.038 120.374 121.300 0.187 0.000 3.062 420 W HA 0.852 5.708 4.660 0.327 0.000 0.336 420 W C -0.807 175.867 176.519 0.259 0.000 1.224 420 W CA -0.755 56.713 57.345 0.205 0.000 1.159 420 W CB 1.367 30.924 29.460 0.162 0.000 1.454 420 W HN 1.831 nan 8.180 nan 0.000 0.569 421 A N 2.473 125.614 122.820 0.535 0.000 2.547 421 A HA 0.533 5.050 4.320 0.328 0.000 0.298 421 A C -1.771 176.148 177.584 0.558 0.000 1.062 421 A CA -0.740 51.520 52.037 0.372 0.000 0.748 421 A CB 1.297 20.367 19.000 0.117 0.000 1.288 421 A HN 0.558 nan 8.150 nan 0.000 0.396 422 N N 0.874 119.875 118.700 0.502 0.000 2.272 422 N HA 0.802 5.738 4.740 0.328 0.000 0.305 422 N C -1.138 174.538 175.510 0.277 0.000 1.103 422 N CA -0.449 52.827 53.050 0.376 0.000 0.791 422 N CB 2.153 40.829 38.487 0.314 0.000 1.356 422 N HN 0.763 nan 8.380 nan 0.000 0.486 423 L N -1.384 119.970 121.223 0.219 0.000 2.424 423 L HA 0.649 5.186 4.340 0.328 0.000 0.258 423 L C -0.418 176.511 176.870 0.099 0.000 0.995 423 L CA -0.997 53.937 54.840 0.158 0.000 0.821 423 L CB 0.421 42.585 42.059 0.176 0.000 1.383 423 L HN 0.250 nan 8.230 nan 0.000 0.410 424 M N 2.322 121.966 119.600 0.074 0.000 2.245 424 M HA 0.257 4.934 4.480 0.328 0.000 0.344 424 M C 1.218 177.588 176.300 0.118 0.000 1.170 424 M CA 0.112 55.463 55.300 0.085 0.000 1.135 424 M CB 0.647 33.300 32.600 0.088 0.000 1.574 424 M HN 0.769 nan 8.290 nan 0.000 0.452 425 L N 1.439 122.710 121.223 0.081 0.000 2.179 425 L HA 0.048 4.585 4.340 0.328 0.000 0.208 425 L C 0.287 177.084 176.870 -0.122 0.000 1.096 425 L CA 0.762 55.578 54.840 -0.040 0.000 0.779 425 L CB -0.115 41.834 42.059 -0.183 0.000 0.922 425 L HN 0.435 nan 8.230 nan 0.000 0.443 426 F N 0.497 120.545 119.950 0.163 0.000 2.422 426 F HA 0.197 4.920 4.527 0.328 0.000 0.333 426 F C 0.581 176.551 175.800 0.283 0.000 1.095 426 F CA -1.535 56.579 58.000 0.190 0.000 1.038 426 F CB 0.802 39.907 39.000 0.175 0.000 1.156 426 F HN -0.018 nan 8.300 nan 0.000 0.483 427 D N 1.022 121.660 120.400 0.396 0.000 2.451 427 D HA 0.004 4.841 4.640 0.328 0.000 0.259 427 D C 0.768 177.150 176.300 0.137 0.000 1.201 427 D CA -0.511 53.727 54.000 0.396 0.000 1.028 427 D CB -0.059 40.935 40.800 0.324 0.000 1.095 427 D HN 0.600 nan 8.370 nan 0.000 0.539 428 Y N -1.466 118.745 120.300 -0.148 0.000 2.651 428 Y HA 0.119 4.866 4.550 0.328 0.000 0.296 428 Y C 0.800 176.551 175.900 -0.248 0.000 1.150 428 Y CA 0.592 58.382 58.100 -0.517 0.000 1.348 428 Y CB -0.247 38.100 38.460 -0.188 0.000 0.983 428 Y HN 0.098 nan 8.280 nan 0.000 0.555 429 K N 0.734 120.867 120.400 -0.446 0.000 2.514 429 K HA 0.080 4.596 4.320 0.328 0.000 0.207 429 K C -0.439 176.186 176.600 0.042 0.000 1.035 429 K CA 0.507 56.589 56.287 -0.341 0.000 1.113 429 K CB 0.107 32.386 32.500 -0.368 0.000 0.846 429 K HN 0.314 nan 8.250 nan 0.000 0.491 430 D N 0.577 121.011 120.400 0.056 0.000 3.028 430 D HA -0.211 4.626 4.640 0.328 0.000 0.207 430 D C 0.200 176.788 176.300 0.480 0.000 1.100 430 D CA 1.050 55.175 54.000 0.209 0.000 0.995 430 D CB -0.893 40.013 40.800 0.177 0.000 1.108 430 D HN 0.411 nan 8.370 nan 0.000 0.421 431 Q N 0.368 120.386 119.800 0.363 0.000 2.256 431 Q HA 0.416 4.953 4.340 0.328 0.000 0.254 431 Q C -0.256 175.869 176.000 0.208 0.000 0.916 431 Q CA -0.800 55.060 55.803 0.096 0.000 0.932 431 Q CB 1.022 29.619 28.738 -0.236 0.000 1.207 431 Q HN 0.207 nan 8.270 nan 0.000 0.426 432 L N 4.307 125.553 121.223 0.038 0.000 2.513 432 L HA 0.080 4.617 4.340 0.328 0.000 0.272 432 L C -0.563 176.188 176.870 -0.198 0.000 1.187 432 L CA 0.789 55.389 54.840 -0.399 0.000 0.895 432 L CB 0.318 42.157 42.059 -0.367 0.000 1.147 432 L HN 0.550 nan 8.230 nan 0.000 0.483 433 K N 3.627 123.924 120.400 -0.172 0.000 2.350 433 K HA 0.406 4.923 4.320 0.328 0.000 0.279 433 K C -0.060 176.491 176.600 -0.083 0.000 1.027 433 K CA 0.131 56.375 56.287 -0.071 0.000 0.969 433 K CB 0.542 33.034 32.500 -0.013 0.000 0.954 433 K HN 0.828 nan 8.250 nan 0.000 0.474 434 T N -1.621 112.877 114.554 -0.093 0.000 2.821 434 T HA 0.465 5.011 4.350 0.328 0.000 0.306 434 T C 0.527 175.125 174.700 -0.169 0.000 1.313 434 T CA -0.684 61.326 62.100 -0.150 0.000 1.012 434 T CB 1.761 70.561 68.868 -0.113 0.000 1.298 434 T HN 0.471 nan 8.240 nan 0.000 0.502 435 G N -0.208 108.416 108.800 -0.293 0.000 2.805 435 G HA2 0.317 4.474 3.960 0.328 0.000 0.214 435 G HA3 0.317 4.474 3.960 0.328 0.000 0.214 435 G C 0.141 174.471 174.900 -0.951 0.000 1.220 435 G CA -0.078 44.607 45.100 -0.692 0.000 0.854 435 G HN 0.914 nan 8.290 nan 0.000 0.623 436 E N 0.174 119.949 120.200 -0.710 0.000 2.277 436 E HA 0.617 5.164 4.350 0.328 0.000 0.274 436 E C -0.887 175.618 176.600 -0.158 0.000 1.022 436 E CA -0.556 55.627 56.400 -0.362 0.000 0.853 436 E CB 0.944 30.615 29.700 -0.049 0.000 1.086 436 E HN 0.002 nan 8.360 nan 0.000 0.397 437 R N 1.899 122.338 120.500 -0.101 0.000 2.564 437 R HA 0.313 4.850 4.340 0.328 0.000 0.284 437 R C -1.668 174.564 176.300 -0.113 0.000 1.031 437 R CA -0.459 55.594 56.100 -0.078 0.000 0.904 437 R CB 1.668 31.936 30.300 -0.053 0.000 1.199 437 R HN 0.552 nan 8.270 nan 0.000 0.443 438 C N 5.549 124.763 119.300 -0.144 0.000 2.285 438 C HA 0.581 5.237 4.460 0.328 0.000 0.335 438 C C -0.591 174.158 174.990 -0.402 0.000 1.267 438 C CA -0.630 58.215 59.018 -0.289 0.000 1.762 438 C CB -0.658 26.890 27.740 -0.321 0.000 2.365 438 C HN 0.728 nan 8.230 nan 0.000 0.527 439 L N 7.312 128.272 121.223 -0.439 0.000 2.277 439 L HA 0.348 4.885 4.340 0.328 0.000 0.284 439 L C -0.861 175.732 176.870 -0.461 0.000 1.028 439 L CA -0.414 54.212 54.840 -0.357 0.000 0.835 439 L CB 0.381 42.280 42.059 -0.266 0.000 1.215 439 L HN 0.650 nan 8.230 nan 0.000 0.425 440 Y N 3.831 124.001 120.300 -0.217 0.000 2.531 440 Y HA 0.220 4.967 4.550 0.328 0.000 0.347 440 Y C 0.698 176.305 175.900 -0.489 0.000 1.024 440 Y CA -0.085 57.827 58.100 -0.314 0.000 1.306 440 Y CB 0.200 38.466 38.460 -0.322 0.000 1.149 440 Y HN 0.453 nan 8.280 nan 0.000 0.527 441 M N 2.883 122.293 119.600 -0.317 0.000 2.274 441 M HA 0.209 4.886 4.480 0.328 0.000 0.344 441 M C -0.886 175.087 176.300 -0.545 0.000 1.161 441 M CA -0.403 54.662 55.300 -0.392 0.000 1.126 441 M CB 0.975 33.456 32.600 -0.198 0.000 1.522 441 M HN 0.593 nan 8.290 nan 0.000 0.461 442 W N 3.252 124.171 121.300 -0.635 0.000 2.351 442 W HA 0.347 5.204 4.660 0.327 0.000 0.311 442 W C -1.910 174.371 176.519 -0.398 0.000 1.168 442 W CA -1.525 55.427 57.345 -0.655 0.000 1.200 442 W CB 0.136 28.851 29.460 -1.241 0.000 1.221 442 W HN 0.308 nan 8.180 nan 0.000 0.519 443 P HA 0.028 nan 4.420 nan 0.000 0.268 443 P C -0.046 177.407 177.300 0.255 0.000 1.205 443 P CA 0.131 63.312 63.100 0.135 0.000 0.771 443 P CB 1.136 32.903 31.700 0.112 0.000 0.858 444 S N 1.012 116.866 115.700 0.257 0.000 2.624 444 S HA 0.172 4.839 4.470 0.328 0.000 0.263 444 S C 0.737 175.461 174.600 0.207 0.000 1.287 444 S CA -0.660 57.730 58.200 0.317 0.000 0.990 444 S CB 0.658 64.022 63.200 0.273 0.000 0.950 444 S HN 0.369 nan 8.310 nan 0.000 0.561 453 L N 2.183 123.393 121.223 -0.020 0.000 2.349 453 L HA 0.681 5.218 4.340 0.328 0.000 0.275 453 L C 0.286 176.992 176.870 -0.274 0.000 1.115 453 L CA -0.007 54.801 54.840 -0.053 0.000 0.820 453 L CB 0.983 43.074 42.059 0.053 0.000 1.135 453 L HN 0.571 nan 8.230 nan 0.000 0.445 454 N N 4.219 122.688 118.700 -0.385 0.000 2.918 454 N HA 0.344 5.280 4.740 0.328 0.000 0.270 454 N C -2.104 173.029 175.510 -0.629 0.000 1.536 454 N CA -1.759 50.910 53.050 -0.636 0.000 0.877 454 N CB 0.936 38.743 38.487 -1.133 0.000 1.190 454 N HN 0.207 nan 8.380 nan 0.000 0.492 455 P HA -0.101 nan 4.420 nan 0.000 0.215 455 P C 0.885 177.902 177.300 -0.470 0.000 1.153 455 P CA 1.118 63.842 63.100 -0.628 0.000 0.853 455 P CB 0.269 31.504 31.700 -0.775 0.000 0.788 456 A N -0.374 121.973 122.820 -0.789 0.000 2.121 456 A HA 0.142 4.659 4.320 0.328 0.000 0.218 456 A C 1.519 178.743 177.584 -0.601 0.000 1.154 456 A CA 0.868 52.220 52.037 -1.141 0.000 0.679 456 A CB -1.521 16.809 19.000 -1.115 0.000 0.795 456 A HN 0.283 nan 8.150 nan 0.000 0.458 457 G N -0.699 107.755 108.800 -0.576 0.000 2.554 457 G HA2 0.345 4.502 3.960 0.328 0.000 0.238 457 G HA3 0.345 4.502 3.960 0.328 0.000 0.238 457 G C 0.339 175.201 174.900 -0.063 0.000 1.259 457 G CA 0.533 45.344 45.100 -0.481 0.000 0.843 457 G HN 0.241 nan 8.290 nan 0.000 0.582 458 T N -1.053 113.532 114.554 0.051 0.000 2.908 458 T HA 0.054 4.600 4.350 0.328 0.000 0.325 458 T C 1.568 176.383 174.700 0.192 0.000 1.092 458 T CA 0.527 62.666 62.100 0.065 0.000 1.125 458 T CB 0.481 69.329 68.868 -0.034 0.000 1.016 458 T HN 1.047 nan 8.240 nan 0.000 0.550 459 V N 1.998 121.984 119.914 0.120 0.000 3.514 459 V HA 0.471 4.788 4.120 0.328 0.000 0.301 459 V C 0.767 176.949 176.094 0.147 0.000 1.346 459 V CA -0.145 62.233 62.300 0.129 0.000 1.156 459 V CB -0.792 31.044 31.823 0.021 0.000 1.029 459 V HN 0.675 nan 8.190 nan 0.000 0.428 460 R N 0.451 121.063 120.500 0.187 0.000 2.732 460 R HA 0.680 5.217 4.340 0.328 0.000 0.278 460 R C 0.621 177.097 176.300 0.292 0.000 0.976 460 R CA -0.048 56.164 56.100 0.187 0.000 0.963 460 R CB 1.730 32.112 30.300 0.138 0.000 1.150 460 R HN 0.453 nan 8.270 nan 0.000 0.478 461 G N 1.509 110.399 108.800 0.150 0.000 2.606 461 G HA2 -0.043 4.114 3.960 0.328 0.000 0.252 461 G HA3 -0.043 4.114 3.960 0.328 0.000 0.252 461 G C -0.418 174.322 174.900 -0.267 0.000 1.206 461 G CA -0.470 44.622 45.100 -0.014 0.000 0.861 461 G HN 0.618 nan 8.290 nan 0.000 0.561 462 N N 1.195 119.337 118.700 -0.930 0.000 2.447 462 N HA 0.066 5.003 4.740 0.328 0.000 0.263 462 N C -0.878 174.265 175.510 -0.612 0.000 1.226 462 N CA -1.744 50.474 53.050 -1.386 0.000 0.906 462 N CB 1.538 39.122 38.487 -1.504 0.000 1.060 462 N HN 0.116 nan 8.380 nan 0.000 0.468 463 P HA -0.069 nan 4.420 nan 0.000 0.225 463 P C 0.024 177.151 177.300 -0.289 0.000 1.156 463 P CA 0.578 63.519 63.100 -0.265 0.000 0.787 463 P CB 0.209 31.835 31.700 -0.122 0.000 0.802 464 N N 1.163 119.685 118.700 -0.297 0.000 3.050 464 N HA -0.002 4.935 4.740 0.328 0.000 0.289 464 N C 1.008 176.341 175.510 -0.295 0.000 1.209 464 N CA 0.233 53.140 53.050 -0.238 0.000 1.154 464 N CB -0.548 37.840 38.487 -0.166 0.000 1.444 464 N HN 0.034 nan 8.380 nan 0.000 0.529 465 T N -1.450 112.863 114.554 -0.401 0.000 2.995 465 T HA -0.131 4.416 4.350 0.328 0.000 0.269 465 T C 1.389 175.939 174.700 -0.251 0.000 1.091 465 T CA 0.866 62.624 62.100 -0.570 0.000 1.128 465 T CB -0.086 68.231 68.868 -0.919 0.000 0.891 465 T HN 0.557 nan 8.240 nan 0.000 0.492 466 E N 0.971 121.067 120.200 -0.174 0.000 2.038 466 E HA -0.172 4.375 4.350 0.328 0.000 0.195 466 E C 2.189 178.753 176.600 -0.059 0.000 1.000 466 E CA 1.502 57.847 56.400 -0.091 0.000 0.803 466 E CB -0.313 29.341 29.700 -0.077 0.000 0.750 466 E HN 0.518 nan 8.360 nan 0.000 0.448 467 S N -0.938 114.719 115.700 -0.071 0.000 2.506 467 S HA 0.351 5.017 4.470 0.328 0.000 0.219 467 S C 0.360 174.933 174.600 -0.044 0.000 1.031 467 S CA 0.176 58.348 58.200 -0.047 0.000 0.911 467 S CB 0.300 63.473 63.200 -0.045 0.000 0.812 467 S HN 0.453 nan 8.310 nan 0.000 0.497 468 A N 1.812 124.590 122.820 -0.070 0.000 2.498 468 A HA 0.628 5.144 4.320 0.328 0.000 0.239 468 A C 0.562 178.143 177.584 -0.006 0.000 1.068 468 A CA 0.189 52.184 52.037 -0.071 0.000 0.766 468 A CB -0.173 18.745 19.000 -0.136 0.000 1.003 468 A HN 0.630 nan 8.150 nan 0.000 0.497 469 A N 1.250 124.047 122.820 -0.038 0.000 2.483 469 A HA 0.523 5.039 4.320 0.328 0.000 0.238 469 A C 0.559 178.097 177.584 -0.077 0.000 1.070 469 A CA 0.497 52.513 52.037 -0.034 0.000 0.770 469 A CB -0.083 18.900 19.000 -0.028 0.000 1.008 469 A HN 2.339 nan 8.150 nan 0.000 0.497 470 A N 2.431 125.184 122.820 -0.111 0.000 2.375 470 A HA 0.624 5.141 4.320 0.328 0.000 0.295 470 A C -0.765 176.684 177.584 -0.227 0.000 1.066 470 A CA -0.384 51.485 52.037 -0.280 0.000 0.722 470 A CB 0.810 19.556 19.000 -0.424 0.000 1.206 470 A HN 0.787 nan 8.150 nan 0.000 0.435 471 L N 3.468 124.525 121.223 -0.276 0.000 2.287 471 L HA 0.534 5.071 4.340 0.328 0.000 0.287 471 L C -0.100 176.613 176.870 -0.263 0.000 1.022 471 L CA -1.022 53.677 54.840 -0.235 0.000 0.814 471 L CB 1.793 43.651 42.059 -0.334 0.000 1.217 471 L HN 0.640 nan 8.230 nan 0.000 0.420 472 V N 3.367 123.186 119.914 -0.158 0.000 2.407 472 V HA 0.624 4.941 4.120 0.328 0.000 0.278 472 V C -0.088 175.958 176.094 -0.081 0.000 1.037 472 V CA -0.481 61.748 62.300 -0.119 0.000 0.900 472 V CB 1.068 32.857 31.823 -0.058 0.000 0.983 472 V HN 0.668 nan 8.190 nan 0.000 0.459 473 I N 2.332 122.856 120.570 -0.078 0.000 3.108 473 I HA 0.713 5.080 4.170 0.328 0.000 0.312 473 I C -1.435 174.734 176.117 0.087 0.000 1.095 473 I CA -1.276 60.022 61.300 -0.004 0.000 1.000 473 I CB 2.465 40.439 38.000 -0.043 0.000 1.229 473 I HN 0.618 nan 8.210 nan 0.000 0.454 474 Y N 3.291 123.593 120.300 0.004 0.000 2.326 474 Y HA 0.586 5.333 4.550 0.328 0.000 0.331 474 Y C -1.178 174.721 175.900 -0.001 0.000 0.962 474 Y CA -0.847 57.253 58.100 0.000 0.000 1.167 474 Y CB 1.576 40.031 38.460 -0.010 0.000 1.148 474 Y HN 0.435 nan 8.280 nan 0.000 0.463 475 L N 8.774 129.890 121.223 -0.179 0.000 2.290 475 L HA 0.417 4.953 4.340 0.328 0.000 0.284 475 L C -2.247 174.569 176.870 -0.090 0.000 1.078 475 L CA -2.702 52.073 54.840 -0.107 0.000 0.815 475 L CB 0.392 42.395 42.059 -0.094 0.000 1.162 475 L HN 0.488 nan 8.230 nan 0.000 0.435 476 P HA 0.168 nan 4.420 nan 0.000 0.284 476 P C -0.770 176.542 177.300 0.020 0.000 1.253 476 P CA -0.690 62.457 63.100 0.078 0.000 0.800 476 P CB 0.442 32.147 31.700 0.009 0.000 0.961 477 E N 2.047 122.283 120.200 0.060 0.000 1.775 477 E HA 0.070 4.617 4.350 0.328 0.000 0.266 477 E C 0.963 177.568 176.600 0.009 0.000 1.191 477 E CA -0.487 55.925 56.400 0.021 0.000 1.048 477 E CB -0.262 29.463 29.700 0.041 0.000 1.081 477 E HN 0.264 nan 8.360 nan 0.000 0.434 478 V N 0.396 120.306 119.914 -0.007 0.000 3.099 478 V HA -0.067 4.249 4.120 0.328 0.000 0.269 478 V C 0.706 176.797 176.094 -0.006 0.000 1.150 478 V CA 1.285 63.580 62.300 -0.008 0.000 1.165 478 V CB -1.212 30.608 31.823 -0.004 0.000 0.756 478 V HN 0.663 nan 8.190 nan 0.000 0.527 483 V N -0.566 119.249 119.914 -0.164 0.000 2.447 483 V HA 0.638 4.955 4.120 0.328 0.000 0.292 483 V C -0.831 175.241 176.094 -0.037 0.000 1.021 483 V CA -0.745 61.538 62.300 -0.029 0.000 0.850 483 V CB 0.948 32.792 31.823 0.035 0.000 1.005 483 V HN 0.406 nan 8.190 nan 0.000 0.426 484 Y N 3.072 123.480 120.300 0.179 0.000 2.376 484 Y HA 0.600 5.346 4.550 0.328 0.000 0.325 484 Y C 0.234 176.264 175.900 0.217 0.000 1.199 484 Y CA -0.898 57.334 58.100 0.219 0.000 1.206 484 Y CB 1.426 39.962 38.460 0.127 0.000 1.229 484 Y HN 0.710 nan 8.280 nan 0.000 0.480 485 F N 4.000 124.072 119.950 0.203 0.000 2.529 485 F HA 0.238 4.961 4.527 0.328 0.000 0.365 485 F C -1.866 173.970 175.800 0.060 0.000 1.102 485 F CA -1.770 56.211 58.000 -0.031 0.000 1.271 485 F CB 0.307 39.071 39.000 -0.393 0.000 1.120 485 F HN 0.316 nan 8.300 nan 0.000 0.579 486 P HA 0.149 nan 4.420 nan 0.000 0.269 486 P C -1.034 176.342 177.300 0.128 0.000 1.209 486 P CA -0.175 62.903 63.100 -0.036 0.000 0.776 486 P CB 0.564 32.164 31.700 -0.168 0.000 0.876 487 A N 2.000 124.877 122.820 0.096 0.000 2.327 487 A HA 0.101 4.618 4.320 0.328 0.000 0.255 487 A C 1.304 178.965 177.584 0.129 0.000 1.099 487 A CA -0.269 51.842 52.037 0.123 0.000 0.801 487 A CB -0.334 18.706 19.000 0.067 0.000 1.062 487 A HN 0.613 nan 8.150 nan 0.000 0.496 488 L N 0.493 121.810 121.223 0.158 0.000 2.042 488 L HA -0.190 4.347 4.340 0.328 0.000 0.210 488 L C 2.552 179.456 176.870 0.057 0.000 1.076 488 L CA 2.808 57.716 54.840 0.114 0.000 0.749 488 L CB -0.894 41.263 42.059 0.163 0.000 0.893 488 L HN 0.927 nan 8.230 nan 0.000 0.432 489 E N -1.489 118.743 120.200 0.053 0.000 2.204 489 E HA -0.232 4.315 4.350 0.328 0.000 0.195 489 E C 1.558 178.163 176.600 0.008 0.000 0.990 489 E CA 0.998 57.417 56.400 0.031 0.000 0.821 489 E CB -0.257 29.457 29.700 0.023 0.000 0.750 489 E HN 0.384 nan 8.360 nan 0.000 0.477 490 K N 0.487 120.887 120.400 0.001 0.000 2.186 490 K HA 0.060 4.577 4.320 0.328 0.000 0.202 490 K C 2.180 178.758 176.600 -0.036 0.000 1.052 490 K CA 0.322 56.587 56.287 -0.037 0.000 0.965 490 K CB -0.065 32.406 32.500 -0.049 0.000 0.746 490 K HN 0.221 nan 8.250 nan 0.000 0.457 491 I N 1.510 122.082 120.570 0.003 0.000 2.142 491 I HA -0.216 4.151 4.170 0.328 0.000 0.240 491 I C 2.407 178.532 176.117 0.013 0.000 1.078 491 I CA 1.140 62.447 61.300 0.012 0.000 1.343 491 I CB -1.040 36.971 38.000 0.017 0.000 1.046 491 I HN 0.042 nan 8.210 nan 0.000 0.405 492 L N 0.320 121.566 121.223 0.037 0.000 2.042 492 L HA -0.242 4.295 4.340 0.328 0.000 0.210 492 L C 2.545 179.430 176.870 0.026 0.000 1.076 492 L CA 1.364 56.271 54.840 0.111 0.000 0.749 492 L CB -0.565 41.571 42.059 0.129 0.000 0.893 492 L HN 0.297 nan 8.230 nan 0.000 0.432 493 E N -0.196 119.993 120.200 -0.019 0.000 2.065 493 E HA -0.242 4.305 4.350 0.328 0.000 0.201 493 E C 1.005 177.533 176.600 -0.120 0.000 1.016 493 E CA 1.064 57.421 56.400 -0.072 0.000 0.818 493 E CB -0.117 29.535 29.700 -0.080 0.000 0.749 493 E HN 0.118 nan 8.360 nan 0.000 0.453 512 R N 1.444 121.922 120.500 -0.037 0.000 2.123 512 R HA 0.183 4.720 4.340 0.328 0.000 0.209 512 R C 1.704 177.902 176.300 -0.171 0.000 1.078 512 R CA 1.302 57.350 56.100 -0.086 0.000 1.028 512 R CB 0.164 30.415 30.300 -0.082 0.000 0.939 512 R HN 0.469 nan 8.270 nan 0.000 0.463 513 E N 0.818 120.911 120.200 -0.179 0.000 2.110 513 E HA -0.204 4.343 4.350 0.328 0.000 0.193 513 E C 1.889 178.404 176.600 -0.142 0.000 0.988 513 E CA 1.039 57.296 56.400 -0.238 0.000 0.804 513 E CB -0.240 29.411 29.700 -0.081 0.000 0.745 513 E HN 0.092 nan 8.360 nan 0.000 0.458 514 I N 1.857 122.379 120.570 -0.080 0.000 2.118 514 I HA -0.293 4.074 4.170 0.328 0.000 0.241 514 I C 2.150 178.227 176.117 -0.066 0.000 1.070 514 I CA 1.533 62.802 61.300 -0.052 0.000 1.327 514 I CB -0.276 37.708 38.000 -0.027 0.000 1.034 514 I HN 0.105 nan 8.210 nan 0.000 0.405 515 L N -0.888 120.286 121.223 -0.082 0.000 2.376 515 L HA 0.081 4.618 4.340 0.328 0.000 0.219 515 L C 1.627 178.439 176.870 -0.097 0.000 1.133 515 L CA 1.269 56.054 54.840 -0.092 0.000 0.816 515 L CB -1.304 40.693 42.059 -0.104 0.000 0.933 515 L HN 0.233 nan 8.230 nan 0.000 0.449 516 E N 2.209 122.334 120.200 -0.125 0.000 2.392 516 E HA 0.166 4.713 4.350 0.328 0.000 0.307 516 E C -0.401 176.148 176.600 -0.085 0.000 1.505 516 E CA -0.252 56.066 56.400 -0.137 0.000 1.716 516 E CB -0.001 29.533 29.700 -0.276 0.000 1.450 516 E HN 0.460 nan 8.360 nan 0.000 0.484 523 L N -1.185 119.958 121.223 -0.132 0.000 2.434 523 L HA 0.647 5.184 4.340 0.328 0.000 0.260 523 L C -0.966 175.842 176.870 -0.104 0.000 0.983 523 L CA -1.197 53.519 54.840 -0.206 0.000 0.820 523 L CB 1.043 43.014 42.059 -0.146 0.000 1.361 523 L HN 0.315 nan 8.230 nan 0.000 0.410 524 Y N 0.489 120.736 120.300 -0.089 0.000 2.296 524 Y HA 0.126 4.872 4.550 0.328 0.000 0.343 524 Y C 1.497 177.335 175.900 -0.104 0.000 1.292 524 Y CA -0.091 57.968 58.100 -0.069 0.000 1.490 524 Y CB 0.551 39.001 38.460 -0.017 0.000 1.359 524 Y HN 0.809 nan 8.280 nan 0.000 0.599 525 E N 0.627 120.927 120.200 0.167 0.000 2.031 525 E HA -0.260 4.287 4.350 0.328 0.000 0.193 525 E C 2.022 178.662 176.600 0.066 0.000 0.994 525 E CA 2.224 58.676 56.400 0.087 0.000 0.800 525 E CB -0.373 29.378 29.700 0.085 0.000 0.752 525 E HN 0.843 nan 8.360 nan 0.000 0.447 526 H N -0.464 118.655 119.070 0.082 0.000 2.319 526 H HA -0.041 4.712 4.556 0.328 0.000 0.297 526 H C 1.924 177.297 175.328 0.075 0.000 1.097 526 H CA 1.696 57.786 56.048 0.069 0.000 1.285 526 H CB -0.468 29.330 29.762 0.060 0.000 1.368 526 H HN 0.249 nan 8.280 nan 0.000 0.495 527 E N 0.978 120.772 120.200 -0.676 0.000 2.097 527 E HA -0.208 4.338 4.350 0.328 0.000 0.196 527 E C 2.158 178.683 176.600 -0.125 0.000 1.000 527 E CA 1.560 57.731 56.400 -0.381 0.000 0.804 527 E CB -0.061 29.412 29.700 -0.378 0.000 0.740 527 E HN 0.602 nan 8.360 nan 0.000 0.454 528 K N 0.646 121.000 120.400 -0.077 0.000 2.032 528 K HA -0.182 4.335 4.320 0.328 0.000 0.209 528 K C 1.823 178.453 176.600 0.050 0.000 1.048 528 K CA 1.627 57.909 56.287 -0.008 0.000 0.927 528 K CB -0.140 32.354 32.500 -0.010 0.000 0.712 528 K HN 0.096 nan 8.250 nan 0.000 0.441 529 D N 1.025 121.459 120.400 0.057 0.000 2.158 529 D HA -0.182 4.655 4.640 0.328 0.000 0.197 529 D C 1.795 178.176 176.300 0.134 0.000 0.995 529 D CA 0.820 54.888 54.000 0.113 0.000 0.846 529 D CB -0.219 40.644 40.800 0.105 0.000 0.941 529 D HN 0.024 nan 8.370 nan 0.000 0.456 530 L N 0.920 122.193 121.223 0.084 0.000 2.056 530 L HA -0.091 4.445 4.340 0.328 0.000 0.207 530 L C 2.350 179.259 176.870 0.065 0.000 1.078 530 L CA 1.084 55.964 54.840 0.067 0.000 0.749 530 L CB -0.865 41.221 42.059 0.043 0.000 0.901 530 L HN -0.085 nan 8.230 nan 0.000 0.433 531 V N -0.949 119.005 119.914 0.067 0.000 2.287 531 V HA -0.365 3.952 4.120 0.328 0.000 0.248 531 V C 2.295 178.469 176.094 0.134 0.000 1.053 531 V CA 2.224 64.570 62.300 0.077 0.000 1.027 531 V CB -0.955 30.913 31.823 0.075 0.000 0.646 531 V HN 0.629 nan 8.190 nan 0.000 0.447 532 W N 1.482 122.762 121.300 -0.033 0.000 2.378 532 W HA -0.277 4.579 4.660 0.328 0.000 0.313 532 W C 2.665 179.164 176.519 -0.034 0.000 1.197 532 W CA 2.141 59.457 57.345 -0.048 0.000 1.304 532 W CB -0.173 29.250 29.460 -0.063 0.000 1.148 532 W HN 0.251 nan 8.180 nan 0.000 0.494 533 K N 0.415 120.814 120.400 -0.002 0.000 2.097 533 K HA -0.248 4.268 4.320 0.328 0.000 0.214 533 K C 1.575 178.106 176.600 -0.115 0.000 1.052 533 K CA 2.342 58.583 56.287 -0.076 0.000 0.932 533 K CB -0.533 31.983 32.500 0.027 0.000 0.716 533 K HN 0.006 nan 8.250 nan 0.000 0.455 534 M N 1.638 121.200 119.600 -0.063 0.000 2.637 534 M HA 0.100 4.777 4.480 0.328 0.000 0.286 534 M C 0.856 177.127 176.300 -0.048 0.000 1.246 534 M CA 0.175 55.462 55.300 -0.020 0.000 0.978 534 M CB 0.211 32.828 32.600 0.028 0.000 1.417 534 M HN 0.252 nan 8.290 nan 0.000 0.487 535 R N -0.571 119.800 120.500 -0.215 0.000 2.091 535 R HA -0.178 4.359 4.340 0.328 0.000 0.238 535 R C 1.176 177.360 176.300 -0.194 0.000 1.136 535 R CA 1.852 57.800 56.100 -0.253 0.000 0.959 535 R CB -0.995 28.950 30.300 -0.591 0.000 0.856 535 R HN 0.388 nan 8.270 nan 0.000 0.437 536 H N 1.025 120.032 119.070 -0.104 0.000 2.353 536 H HA -0.043 4.710 4.556 0.328 0.000 0.300 536 H C 2.061 177.339 175.328 -0.084 0.000 1.090 536 H CA 1.679 57.667 56.048 -0.100 0.000 1.327 536 H CB 0.080 29.788 29.762 -0.089 0.000 1.383 536 H HN 0.357 nan 8.280 nan 0.000 0.508 537 E N 0.672 120.944 120.200 0.119 0.000 2.150 537 E HA -0.106 4.441 4.350 0.328 0.000 0.193 537 E C 2.457 179.182 176.600 0.209 0.000 0.985 537 E CA 0.716 57.230 56.400 0.190 0.000 0.814 537 E CB -0.604 29.229 29.700 0.222 0.000 0.752 537 E HN 0.336 nan 8.360 nan 0.000 0.466 538 V N 1.900 121.911 119.914 0.162 0.000 2.261 538 V HA -0.299 4.018 4.120 0.328 0.000 0.246 538 V C 2.755 178.846 176.094 -0.005 0.000 1.047 538 V CA 2.220 64.654 62.300 0.223 0.000 1.015 538 V CB -0.747 31.233 31.823 0.262 0.000 0.642 538 V HN 0.257 nan 8.190 nan 0.000 0.446 539 Q N -0.138 119.458 119.800 -0.341 0.000 2.061 539 Q HA -0.288 4.249 4.340 0.328 0.000 0.204 539 Q C 2.261 177.848 176.000 -0.688 0.000 0.984 539 Q CA 2.380 57.554 55.803 -1.047 0.000 0.846 539 Q CB -0.071 28.112 28.738 -0.925 0.000 0.902 539 Q HN 0.745 nan 8.270 nan 0.000 0.421 540 E N -1.488 118.438 120.200 -0.457 0.000 2.112 540 E HA -0.139 4.408 4.350 0.328 0.000 0.190 540 E C 1.337 177.539 176.600 -0.664 0.000 0.979 540 E CA 1.228 57.284 56.400 -0.574 0.000 0.814 540 E CB 0.165 29.480 29.700 -0.642 0.000 0.762 540 E HN 0.536 nan 8.360 nan 0.000 0.460 541 H N -2.700 116.243 119.070 -0.212 0.000 3.046 541 H HA 0.213 4.966 4.556 0.328 0.000 0.262 541 H C -0.262 174.633 175.328 -0.722 0.000 1.044 541 H CA -0.045 55.751 56.048 -0.419 0.000 1.209 541 H CB 0.778 30.291 29.762 -0.415 0.000 1.507 541 H HN -0.022 nan 8.280 nan 0.000 0.507 542 F N 0.933 120.908 119.950 0.042 0.000 2.619 542 F HA 0.255 4.979 4.527 0.328 0.000 0.382 542 F C -1.872 173.997 175.800 0.114 0.000 1.466 542 F CA -1.885 56.159 58.000 0.074 0.000 1.137 542 F CB 1.292 40.348 39.000 0.093 0.000 1.205 542 F HN -0.012 nan 8.300 nan 0.000 0.525 543 P HA -0.205 nan 4.420 nan 0.000 0.220 543 P C 0.800 178.425 177.300 0.543 0.000 1.144 543 P CA 1.570 64.820 63.100 0.251 0.000 0.800 543 P CB 0.313 32.008 31.700 -0.008 0.000 0.772 544 E N -0.647 119.748 120.200 0.325 0.000 2.502 544 E HA 0.124 4.671 4.350 0.328 0.000 0.194 544 E C 1.357 178.075 176.600 0.197 0.000 1.062 544 E CA 0.078 56.624 56.400 0.244 0.000 0.867 544 E CB -0.108 29.695 29.700 0.173 0.000 0.888 544 E HN 0.207 nan 8.360 nan 0.000 0.510 545 A N 0.715 123.687 122.820 0.255 0.000 2.462 545 A HA 0.088 4.604 4.320 0.328 0.000 0.261 545 A C 1.585 179.237 177.584 0.113 0.000 1.323 545 A CA -0.197 51.941 52.037 0.168 0.000 0.913 545 A CB -0.152 18.951 19.000 0.172 0.000 1.028 545 A HN 0.188 nan 8.150 nan 0.000 0.511 546 L N 0.054 121.298 121.223 0.035 0.000 2.013 546 L HA -0.206 4.331 4.340 0.328 0.000 0.212 546 L C 2.518 179.204 176.870 -0.307 0.000 1.073 546 L CA 2.635 57.254 54.840 -0.369 0.000 0.753 546 L CB -0.675 40.865 42.059 -0.865 0.000 0.890 546 L HN 0.397 nan 8.230 nan 0.000 0.432 547 A N -0.680 121.985 122.820 -0.257 0.000 1.908 547 A HA -0.273 4.244 4.320 0.328 0.000 0.218 547 A C 2.534 180.156 177.584 0.064 0.000 1.181 547 A CA 1.942 53.836 52.037 -0.239 0.000 0.627 547 A CB -0.654 18.177 19.000 -0.283 0.000 0.818 547 A HN 0.522 nan 8.150 nan 0.000 0.445 548 R N -1.057 119.474 120.500 0.052 0.000 2.092 548 R HA -0.086 4.451 4.340 0.328 0.000 0.231 548 R C 2.037 178.396 176.300 0.098 0.000 1.119 548 R CA 1.430 57.582 56.100 0.087 0.000 0.970 548 R CB -0.348 29.984 30.300 0.053 0.000 0.864 548 R HN 0.476 nan 8.270 nan 0.000 0.440 549 L N 0.748 122.021 121.223 0.082 0.000 2.056 549 L HA -0.095 4.442 4.340 0.328 0.000 0.207 549 L C 1.791 178.741 176.870 0.134 0.000 1.078 549 L CA 1.619 56.530 54.840 0.119 0.000 0.749 549 L CB -0.326 41.798 42.059 0.109 0.000 0.901 549 L HN 0.209 nan 8.230 nan 0.000 0.433 550 L N -1.021 120.282 121.223 0.134 0.000 2.079 550 L HA -0.243 4.293 4.340 0.328 0.000 0.210 550 L C 2.419 179.560 176.870 0.451 0.000 1.081 550 L CA 1.250 56.288 54.840 0.331 0.000 0.752 550 L CB -0.584 41.714 42.059 0.399 0.000 0.896 550 L HN 0.300 nan 8.230 nan 0.000 0.433 551 L N -0.345 121.079 121.223 0.335 0.000 2.465 551 L HA -0.093 4.443 4.340 0.328 0.000 0.224 551 L C 2.158 179.101 176.870 0.122 0.000 1.145 551 L CA 0.384 55.362 54.840 0.230 0.000 0.834 551 L CB -0.187 41.965 42.059 0.155 0.000 0.944 551 L HN 0.281 nan 8.230 nan 0.000 0.451 552 V N -5.039 114.914 119.914 0.065 0.000 3.565 552 V HA 0.072 4.389 4.120 0.328 0.000 0.260 552 V C 1.355 177.281 176.094 -0.281 0.000 1.231 552 V CA 0.263 62.535 62.300 -0.046 0.000 1.100 552 V CB -0.353 31.478 31.823 0.014 0.000 0.807 552 V HN 0.378 nan 8.190 nan 0.000 0.454 553 T N 1.171 115.472 114.554 -0.422 0.000 2.930 553 T HA 0.142 4.688 4.350 0.328 0.000 0.306 553 T C 0.197 174.364 174.700 -0.889 0.000 1.045 553 T CA -0.267 61.231 62.100 -1.004 0.000 1.134 553 T CB 0.436 68.611 68.868 -1.155 0.000 0.961 553 T HN 0.361 nan 8.240 nan 0.000 0.545 554 K N 4.181 124.057 120.400 -0.874 0.000 2.171 554 K HA 0.067 4.584 4.320 0.328 0.000 0.274 554 K C 0.230 176.556 176.600 -0.456 0.000 1.110 554 K CA -0.025 55.953 56.287 -0.514 0.000 0.952 554 K CB 0.037 32.285 32.500 -0.420 0.000 1.309 554 K HN 0.807 nan 8.250 nan 0.000 0.414 555 W N 1.334 122.471 121.300 -0.272 0.000 2.721 555 W HA -0.109 4.748 4.660 0.328 0.000 0.245 555 W C 1.455 177.821 176.519 -0.254 0.000 1.276 555 W CA 0.212 57.356 57.345 -0.335 0.000 1.342 555 W CB -0.058 29.064 29.460 -0.563 0.000 1.135 555 W HN 0.517 nan 8.180 nan 0.000 0.654 556 N N 0.055 118.745 118.700 -0.017 0.000 2.235 556 N HA 0.015 4.952 4.740 0.328 0.000 0.209 556 N C -0.262 175.242 175.510 -0.009 0.000 1.122 556 N CA 0.322 53.368 53.050 -0.007 0.000 0.845 556 N CB -0.003 38.471 38.487 -0.022 0.000 1.004 556 N HN -0.148 nan 8.380 nan 0.000 0.499 557 K N 0.991 121.358 120.400 -0.055 0.000 2.507 557 K HA 0.136 4.652 4.320 0.328 0.000 0.252 557 K C 0.714 177.272 176.600 -0.069 0.000 0.943 557 K CA -0.516 55.728 56.287 -0.073 0.000 0.808 557 K CB 1.263 33.672 32.500 -0.151 0.000 1.142 557 K HN 0.243 nan 8.250 nan 0.000 0.426 558 H N 1.436 120.526 119.070 0.033 0.000 2.428 558 H HA 0.049 4.801 4.556 0.328 0.000 0.296 558 H C 0.452 175.807 175.328 0.044 0.000 1.062 558 H CA 1.167 57.254 56.048 0.064 0.000 1.350 558 H CB 0.466 30.283 29.762 0.090 0.000 1.403 558 H HN 0.572 nan 8.280 nan 0.000 0.533 559 E N 0.947 120.885 120.200 -0.436 0.000 2.077 559 E HA -0.137 4.410 4.350 0.328 0.000 0.193 559 E C 1.628 178.195 176.600 -0.056 0.000 0.989 559 E CA 1.353 57.634 56.400 -0.198 0.000 0.800 559 E CB 0.076 29.628 29.700 -0.248 0.000 0.746 559 E HN 0.515 nan 8.360 nan 0.000 0.452 560 D N 0.291 120.640 120.400 -0.086 0.000 2.117 560 D HA -0.116 4.721 4.640 0.328 0.000 0.198 560 D C 2.025 178.283 176.300 -0.070 0.000 0.982 560 D CA 0.661 54.643 54.000 -0.030 0.000 0.828 560 D CB -0.240 40.392 40.800 -0.281 0.000 0.967 560 D HN -0.022 nan 8.370 nan 0.000 0.464 561 V N 1.190 121.016 119.914 -0.147 0.000 2.332 561 V HA -0.258 4.059 4.120 0.328 0.000 0.248 561 V C 2.451 178.545 176.094 0.000 0.000 1.055 561 V CA 1.816 64.029 62.300 -0.144 0.000 1.038 561 V CB -0.848 30.992 31.823 0.028 0.000 0.651 561 V HN 0.220 nan 8.190 nan 0.000 0.450 562 A N -0.785 122.067 122.820 0.053 0.000 1.908 562 A HA -0.320 4.197 4.320 0.328 0.000 0.218 562 A C 2.172 179.800 177.584 0.073 0.000 1.181 562 A CA 2.142 54.217 52.037 0.063 0.000 0.627 562 A CB -0.498 18.536 19.000 0.056 0.000 0.818 562 A HN 0.639 nan 8.150 nan 0.000 0.445 563 Q N -1.837 118.014 119.800 0.085 0.000 2.084 563 Q HA -0.205 4.332 4.340 0.328 0.000 0.202 563 Q C 2.161 178.220 176.000 0.098 0.000 0.978 563 Q CA 1.749 57.605 55.803 0.088 0.000 0.844 563 Q CB -0.313 28.490 28.738 0.107 0.000 0.898 563 Q HN 0.680 nan 8.270 nan 0.000 0.426 564 M N 0.518 120.209 119.600 0.153 0.000 2.059 564 M HA -0.146 4.530 4.480 0.328 0.000 0.259 564 M C 1.684 178.006 176.300 0.037 0.000 1.072 564 M CA 1.575 56.930 55.300 0.091 0.000 1.117 564 M CB -0.537 32.036 32.600 -0.045 0.000 1.320 564 M HN 0.148 nan 8.290 nan 0.000 0.408 565 L N -0.428 120.810 121.223 0.024 0.000 2.021 565 L HA -0.246 4.291 4.340 0.328 0.000 0.215 565 L C 2.462 179.339 176.870 0.012 0.000 1.074 565 L CA 2.043 56.877 54.840 -0.012 0.000 0.760 565 L CB -1.894 40.119 42.059 -0.076 0.000 0.889 565 L HN 0.533 nan 8.230 nan 0.000 0.433 566 Y N -0.288 119.987 120.300 -0.042 0.000 2.151 566 Y HA -0.279 4.467 4.550 0.328 0.000 0.284 566 Y C 2.350 178.261 175.900 0.019 0.000 1.166 566 Y CA 1.683 59.771 58.100 -0.021 0.000 1.163 566 Y CB -0.294 38.156 38.460 -0.017 0.000 0.974 566 Y HN 0.126 nan 8.280 nan 0.000 0.511 567 L N -0.964 120.259 121.223 0.000 0.000 2.141 567 L HA -0.169 4.367 4.340 0.328 0.000 0.209 567 L C 2.336 179.298 176.870 0.153 0.000 1.094 567 L CA 0.822 55.674 54.840 0.019 0.000 0.763 567 L CB -0.600 41.548 42.059 0.148 0.000 0.908 567 L HN 0.304 nan 8.230 nan 0.000 0.437 568 L N -0.606 120.658 121.223 0.070 0.000 2.141 568 L HA -0.175 4.362 4.340 0.328 0.000 0.209 568 L C 2.359 179.262 176.870 0.055 0.000 1.094 568 L CA 1.633 56.460 54.840 -0.021 0.000 0.763 568 L CB -0.512 41.452 42.059 -0.158 0.000 0.908 568 L HN 0.231 nan 8.230 nan 0.000 0.437 569 C N -0.603 118.700 119.300 0.005 0.000 2.448 569 C HA -0.002 4.655 4.460 0.328 0.000 0.280 569 C C 2.616 177.616 174.990 0.018 0.000 1.398 569 C CA 0.881 59.913 59.018 0.024 0.000 1.774 569 C CB -1.347 26.366 27.740 -0.045 0.000 1.888 569 C HN 0.772 nan 8.230 nan 0.000 0.519 570 S N -2.250 113.425 115.700 -0.042 0.000 2.540 570 S HA 0.057 4.723 4.470 0.328 0.000 0.218 570 S C 0.236 174.860 174.600 0.040 0.000 0.977 570 S CA -0.371 57.798 58.200 -0.051 0.000 0.918 570 S CB -0.224 62.862 63.200 -0.190 0.000 0.806 570 S HN 0.659 nan 8.310 nan 0.000 0.496 571 W N 4.796 126.081 121.300 -0.025 0.000 2.216 571 W HA 0.284 5.141 4.660 0.328 0.000 0.326 571 W C -2.616 174.010 176.519 0.178 0.000 1.319 571 W CA -1.855 55.497 57.345 0.011 0.000 1.213 571 W CB 0.632 29.988 29.460 -0.172 0.000 1.171 571 W HN 0.128 nan 8.180 nan 0.000 0.557 572 P HA 0.005 nan 4.420 nan 0.000 0.272 572 P C -0.523 177.033 177.300 0.428 0.000 1.223 572 P CA 0.345 63.570 63.100 0.208 0.000 0.784 572 P CB 0.763 32.482 31.700 0.032 0.000 0.923 573 E N 0.898 121.205 120.200 0.178 0.000 2.442 573 E HA 0.074 4.620 4.350 0.328 0.000 0.262 573 E C -0.106 176.565 176.600 0.118 0.000 1.004 573 E CA 0.195 56.607 56.400 0.021 0.000 0.928 573 E CB 0.183 29.841 29.700 -0.070 0.000 0.937 573 E HN 0.358 nan 8.360 nan 0.000 0.446 574 L N 3.460 124.730 121.223 0.077 0.000 2.322 574 L HA 0.440 4.977 4.340 0.328 0.000 0.269 574 L C -2.213 174.681 176.870 0.040 0.000 1.012 574 L CA -2.539 52.374 54.840 0.122 0.000 0.815 574 L CB 1.190 43.368 42.059 0.198 0.000 1.295 574 L HN 0.269 nan 8.230 nan 0.000 0.438 575 P HA -0.012 nan 4.420 nan 0.000 0.269 575 P C 0.913 178.228 177.300 0.026 0.000 1.217 575 P CA -0.225 62.899 63.100 0.039 0.000 0.783 575 P CB 0.672 32.404 31.700 0.054 0.000 0.898 576 V N 1.907 121.839 119.914 0.031 0.000 2.278 576 V HA -0.261 4.056 4.120 0.328 0.000 0.251 576 V C 2.267 178.375 176.094 0.023 0.000 1.062 576 V CA 2.006 64.327 62.300 0.035 0.000 1.038 576 V CB -1.086 30.790 31.823 0.087 0.000 0.646 576 V HN 0.528 nan 8.190 nan 0.000 0.447 577 L N 0.083 121.335 121.223 0.048 0.000 2.043 577 L HA -0.201 4.336 4.340 0.328 0.000 0.212 577 L C 2.488 179.389 176.870 0.053 0.000 1.075 577 L CA 2.529 57.412 54.840 0.072 0.000 0.752 577 L CB -0.693 41.427 42.059 0.101 0.000 0.891 577 L HN 0.347 nan 8.230 nan 0.000 0.432 578 S N -0.468 115.243 115.700 0.018 0.000 2.371 578 S HA -0.057 4.609 4.470 0.328 0.000 0.224 578 S C 2.092 176.617 174.600 -0.125 0.000 1.029 578 S CA 0.899 59.072 58.200 -0.046 0.000 0.978 578 S CB -0.595 62.613 63.200 0.014 0.000 0.833 578 S HN 0.657 nan 8.310 nan 0.000 0.466 579 A N 1.457 124.228 122.820 -0.081 0.000 1.978 579 A HA -0.030 4.487 4.320 0.328 0.000 0.220 579 A C 2.078 179.579 177.584 -0.137 0.000 1.170 579 A CA 1.153 53.126 52.037 -0.106 0.000 0.636 579 A CB -0.697 18.240 19.000 -0.104 0.000 0.810 579 A HN 0.455 nan 8.150 nan 0.000 0.448 580 L N -0.987 120.152 121.223 -0.139 0.000 2.109 580 L HA -0.152 4.384 4.340 0.328 0.000 0.207 580 L C 2.594 179.335 176.870 -0.215 0.000 1.086 580 L CA 1.586 56.340 54.840 -0.144 0.000 0.760 580 L CB -0.378 41.597 42.059 -0.140 0.000 0.910 580 L HN 0.607 nan 8.230 nan 0.000 0.437 581 E N 0.812 120.739 120.200 -0.456 0.000 2.110 581 E HA -0.217 4.330 4.350 0.328 0.000 0.193 581 E C 2.147 178.583 176.600 -0.272 0.000 0.988 581 E CA 0.996 57.054 56.400 -0.570 0.000 0.804 581 E CB -0.032 29.133 29.700 -0.891 0.000 0.745 581 E HN 0.485 nan 8.360 nan 0.000 0.458 582 L N 0.740 121.758 121.223 -0.341 0.000 2.551 582 L HA -0.057 4.480 4.340 0.328 0.000 0.228 582 L C 1.883 178.691 176.870 -0.104 0.000 1.153 582 L CA 0.223 54.803 54.840 -0.435 0.000 0.851 582 L CB -0.001 41.826 42.059 -0.386 0.000 0.959 582 L HN 0.216 nan 8.230 nan 0.000 0.451 583 L N -1.534 119.680 121.223 -0.016 0.000 2.567 583 L HA 0.054 4.591 4.340 0.328 0.000 0.225 583 L C 1.041 178.000 176.870 0.149 0.000 1.119 583 L CA -0.096 54.782 54.840 0.063 0.000 0.871 583 L CB -0.234 41.851 42.059 0.044 0.000 1.036 583 L HN 0.208 nan 8.230 nan 0.000 0.459 584 D N 0.299 120.812 120.400 0.188 0.000 2.506 584 D HA -0.189 4.647 4.640 0.328 0.000 0.234 584 D C 1.007 177.278 176.300 -0.048 0.000 1.143 584 D CA 0.152 54.241 54.000 0.147 0.000 0.871 584 D CB 0.924 41.833 40.800 0.180 0.000 1.190 584 D HN 0.045 nan 8.370 nan 0.000 0.459 585 F N 2.889 122.539 119.950 -0.500 0.000 2.236 585 F HA -0.234 4.490 4.527 0.328 0.000 0.302 585 F C 2.336 177.773 175.800 -0.604 0.000 1.073 585 F CA 1.309 58.820 58.000 -0.815 0.000 1.336 585 F CB -0.104 38.136 39.000 -1.268 0.000 1.040 585 F HN 0.280 nan 8.300 nan 0.000 0.507 586 S N -0.469 114.843 115.700 -0.647 0.000 2.493 586 S HA -0.151 4.516 4.470 0.328 0.000 0.243 586 S C 0.210 174.015 174.600 -1.325 0.000 0.991 586 S CA 0.727 58.318 58.200 -1.016 0.000 0.957 586 S CB -0.683 61.789 63.200 -1.212 0.000 0.756 586 S HN 0.326 nan 8.310 nan 0.000 0.521 587 F N 0.719 120.384 119.950 -0.474 0.000 2.622 587 F HA 0.350 5.074 4.527 0.328 0.000 0.338 587 F C -2.001 173.505 175.800 -0.490 0.000 1.334 587 F CA -2.231 55.506 58.000 -0.438 0.000 1.179 587 F CB 1.093 39.939 39.000 -0.256 0.000 1.471 587 F HN -0.066 nan 8.300 nan 0.000 0.576 588 P HA -0.037 nan 4.420 nan 0.000 0.235 588 P C 0.154 177.235 177.300 -0.364 0.000 1.177 588 P CA 0.412 63.172 63.100 -0.566 0.000 0.785 588 P CB 0.275 31.447 31.700 -0.879 0.000 0.885 589 D N 0.476 120.679 120.400 -0.329 0.000 2.487 589 D HA -0.061 4.775 4.640 0.328 0.000 0.243 589 D C 1.355 177.634 176.300 -0.034 0.000 1.154 589 D CA -0.003 53.938 54.000 -0.098 0.000 0.876 589 D CB 0.532 41.346 40.800 0.023 0.000 1.161 589 D HN 0.151 nan 8.370 nan 0.000 0.478 590 C N 3.454 122.719 119.300 -0.058 0.000 2.500 590 C HA 0.066 4.723 4.460 0.328 0.000 0.273 590 C C 1.973 176.896 174.990 -0.112 0.000 1.428 590 C CA -0.251 58.708 59.018 -0.099 0.000 1.766 590 C CB -1.726 25.938 27.740 -0.127 0.000 1.817 590 C HN 0.708 nan 8.230 nan 0.000 0.543 591 Y N 1.531 121.847 120.300 0.026 0.000 2.263 591 Y HA -0.028 4.719 4.550 0.328 0.000 0.292 591 Y C 2.783 178.727 175.900 0.073 0.000 1.130 591 Y CA 1.747 59.881 58.100 0.057 0.000 1.179 591 Y CB -0.584 37.921 38.460 0.074 0.000 0.998 591 Y HN 0.200 nan 8.280 nan 0.000 0.532 592 V N -0.599 119.432 119.914 0.194 0.000 2.358 592 V HA -0.233 4.083 4.120 0.328 0.000 0.246 592 V C 2.513 178.661 176.094 0.091 0.000 1.047 592 V CA 1.966 64.323 62.300 0.096 0.000 1.035 592 V CB -1.387 30.456 31.823 0.033 0.000 0.658 592 V HN 0.542 nan 8.190 nan 0.000 0.452 593 G N -0.740 108.083 108.800 0.039 0.000 2.418 593 G HA2 -0.231 3.926 3.960 0.328 0.000 0.217 593 G HA3 -0.231 3.926 3.960 0.328 0.000 0.217 593 G C 1.860 176.759 174.900 -0.002 0.000 1.158 593 G CA 1.160 46.263 45.100 0.005 0.000 0.771 593 G HN 0.486 nan 8.290 nan 0.000 0.545 594 S N 0.225 115.933 115.700 0.013 0.000 2.353 594 S HA -0.141 4.526 4.470 0.328 0.000 0.222 594 S C 1.907 176.520 174.600 0.021 0.000 1.035 594 S CA 1.324 59.526 58.200 0.004 0.000 1.025 594 S CB -0.451 62.764 63.200 0.026 0.000 0.902 594 S HN 0.402 nan 8.310 nan 0.000 0.440 595 F N 2.347 122.276 119.950 -0.034 0.000 2.091 595 F HA -0.229 4.495 4.527 0.328 0.000 0.299 595 F C 2.311 178.051 175.800 -0.099 0.000 1.103 595 F CA 1.330 59.299 58.000 -0.051 0.000 1.228 595 F CB -0.664 38.300 39.000 -0.060 0.000 0.984 595 F HN 0.188 nan 8.300 nan 0.000 0.477 596 A N 0.653 123.496 122.820 0.038 0.000 1.877 596 A HA -0.157 4.359 4.320 0.328 0.000 0.216 596 A C 2.190 179.640 177.584 -0.224 0.000 1.186 596 A CA 1.766 53.751 52.037 -0.087 0.000 0.620 596 A CB -0.997 17.970 19.000 -0.056 0.000 0.822 596 A HN 0.405 nan 8.150 nan 0.000 0.443 597 I N 0.023 120.456 120.570 -0.229 0.000 2.163 597 I HA -0.241 4.126 4.170 0.328 0.000 0.243 597 I C 2.352 178.234 176.117 -0.391 0.000 1.085 597 I CA 1.982 63.060 61.300 -0.369 0.000 1.347 597 I CB -1.265 36.558 38.000 -0.295 0.000 1.044 597 I HN 0.419 nan 8.210 nan 0.000 0.408 598 K N 0.647 120.862 120.400 -0.308 0.000 2.044 598 K HA -0.192 4.325 4.320 0.328 0.000 0.210 598 K C 2.232 178.637 176.600 -0.324 0.000 1.049 598 K CA 2.074 58.184 56.287 -0.295 0.000 0.927 598 K CB -0.007 32.305 32.500 -0.313 0.000 0.713 598 K HN 0.131 nan 8.250 nan 0.000 0.443 599 S N 0.474 115.923 115.700 -0.419 0.000 2.453 599 S HA 0.030 4.697 4.470 0.328 0.000 0.231 599 S C 1.560 176.037 174.600 -0.205 0.000 1.005 599 S CA 0.538 58.547 58.200 -0.318 0.000 0.949 599 S CB 0.019 63.009 63.200 -0.349 0.000 0.774 599 S HN 0.252 nan 8.310 nan 0.000 0.510 600 L N 0.835 121.903 121.223 -0.258 0.000 2.418 600 L HA 0.111 4.647 4.340 0.328 0.000 0.218 600 L C 2.344 179.102 176.870 -0.188 0.000 1.125 600 L CA 0.410 55.109 54.840 -0.235 0.000 0.835 600 L CB -0.177 41.655 42.059 -0.379 0.000 0.953 600 L HN 0.180 nan 8.230 nan 0.000 0.454 601 R N 0.907 121.294 120.500 -0.188 0.000 2.193 601 R HA -0.159 4.378 4.340 0.328 0.000 0.229 601 R C 1.869 178.231 176.300 0.103 0.000 1.110 601 R CA 1.104 57.225 56.100 0.034 0.000 0.988 601 R CB -0.207 30.108 30.300 0.026 0.000 0.871 601 R HN 0.475 nan 8.270 nan 0.000 0.458 602 K N 0.729 121.149 120.400 0.034 0.000 2.525 602 K HA 0.031 4.548 4.320 0.328 0.000 0.192 602 K C 0.364 177.005 176.600 0.069 0.000 1.029 602 K CA 0.254 56.569 56.287 0.046 0.000 1.029 602 K CB -0.111 32.399 32.500 0.017 0.000 0.814 602 K HN 0.068 nan 8.250 nan 0.000 0.503 603 L N 3.558 124.846 121.223 0.107 0.000 2.540 603 L HA -0.037 4.499 4.340 0.328 0.000 0.276 603 L C 0.987 177.908 176.870 0.084 0.000 1.212 603 L CA -0.034 54.873 54.840 0.112 0.000 0.893 603 L CB 0.228 42.396 42.059 0.181 0.000 1.138 603 L HN 0.327 nan 8.230 nan 0.000 0.491 604 T N -1.495 113.082 114.554 0.038 0.000 2.813 604 T HA 0.022 4.569 4.350 0.328 0.000 0.297 604 T C 0.872 175.578 174.700 0.011 0.000 1.036 604 T CA -0.750 61.361 62.100 0.019 0.000 1.044 604 T CB 0.925 69.790 68.868 -0.005 0.000 0.993 604 T HN 0.536 nan 8.240 nan 0.000 0.535 605 D N 0.608 121.010 120.400 0.005 0.000 2.117 605 D HA -0.086 4.751 4.640 0.328 0.000 0.197 605 D C 1.748 178.053 176.300 0.008 0.000 0.987 605 D CA 1.196 55.197 54.000 0.003 0.000 0.829 605 D CB -0.279 40.514 40.800 -0.013 0.000 0.961 605 D HN 0.620 nan 8.370 nan 0.000 0.460 606 D N 0.788 121.177 120.400 -0.019 0.000 2.104 606 D HA -0.141 4.696 4.640 0.328 0.000 0.194 606 D C 1.966 178.215 176.300 -0.085 0.000 0.994 606 D CA 0.839 54.830 54.000 -0.015 0.000 0.830 606 D CB -0.207 40.564 40.800 -0.049 0.000 0.959 606 D HN 0.392 nan 8.370 nan 0.000 0.452 607 E N -0.144 119.954 120.200 -0.171 0.000 2.077 607 E HA -0.153 4.394 4.350 0.328 0.000 0.193 607 E C 2.074 178.393 176.600 -0.468 0.000 0.989 607 E CA 0.257 56.406 56.400 -0.419 0.000 0.800 607 E CB -0.097 29.439 29.700 -0.274 0.000 0.746 607 E HN 0.089 nan 8.360 nan 0.000 0.452 608 L N 0.866 122.007 121.223 -0.138 0.000 1.989 608 L HA -0.203 4.334 4.340 0.328 0.000 0.211 608 L C 2.088 178.950 176.870 -0.013 0.000 1.071 608 L CA 1.725 56.558 54.840 -0.011 0.000 0.749 608 L CB -0.922 41.176 42.059 0.065 0.000 0.890 608 L HN 0.093 nan 8.230 nan 0.000 0.431 609 F N 0.602 120.468 119.950 -0.140 0.000 2.091 609 F HA -0.303 4.420 4.527 0.327 0.000 0.299 609 F C 2.660 178.350 175.800 -0.182 0.000 1.103 609 F CA 2.226 60.146 58.000 -0.132 0.000 1.228 609 F CB -0.754 38.163 39.000 -0.137 0.000 0.984 609 F HN 0.354 nan 8.300 nan 0.000 0.477 610 Q N -0.519 119.027 119.800 -0.423 0.000 2.135 610 Q HA -0.222 4.314 4.340 0.328 0.000 0.204 610 Q C 1.352 177.170 176.000 -0.304 0.000 0.981 610 Q CA 2.016 57.508 55.803 -0.519 0.000 0.856 610 Q CB -0.590 27.793 28.738 -0.592 0.000 0.902 610 Q HN 0.579 nan 8.270 nan 0.000 0.425 611 Y N -0.993 119.192 120.300 -0.191 0.000 2.458 611 Y HA 0.175 4.922 4.550 0.328 0.000 0.256 611 Y C 1.257 177.073 175.900 -0.140 0.000 1.159 611 Y CA -0.567 57.438 58.100 -0.157 0.000 1.261 611 Y CB -0.440 37.967 38.460 -0.088 0.000 1.119 611 Y HN 0.120 nan 8.280 nan 0.000 0.524 612 L N 0.491 121.687 121.223 -0.044 0.000 2.012 612 L HA -0.207 4.330 4.340 0.328 0.000 0.210 612 L C 2.211 179.027 176.870 -0.089 0.000 1.073 612 L CA 1.563 56.398 54.840 -0.007 0.000 0.748 612 L CB -0.942 41.149 42.059 0.052 0.000 0.891 612 L HN 0.270 nan 8.230 nan 0.000 0.431 613 L N -0.547 120.539 121.223 -0.228 0.000 2.043 613 L HA -0.279 4.258 4.340 0.328 0.000 0.212 613 L C 2.407 179.113 176.870 -0.274 0.000 1.075 613 L CA 1.975 56.551 54.840 -0.440 0.000 0.752 613 L CB -0.862 40.939 42.059 -0.429 0.000 0.891 613 L HN 0.407 nan 8.230 nan 0.000 0.432 614 Q N -0.762 118.935 119.800 -0.171 0.000 2.083 614 Q HA -0.042 4.495 4.340 0.328 0.000 0.198 614 Q C 2.226 178.176 176.000 -0.084 0.000 0.969 614 Q CA 1.707 57.430 55.803 -0.133 0.000 0.838 614 Q CB -0.368 28.303 28.738 -0.113 0.000 0.900 614 Q HN 0.530 nan 8.270 nan 0.000 0.436 615 L N -0.571 120.634 121.223 -0.030 0.000 2.083 615 L HA -0.180 4.356 4.340 0.328 0.000 0.209 615 L C 2.126 178.983 176.870 -0.022 0.000 1.083 615 L CA 0.764 55.613 54.840 0.015 0.000 0.752 615 L CB -0.619 41.494 42.059 0.090 0.000 0.899 615 L HN 0.109 nan 8.230 nan 0.000 0.433 616 V N -0.611 119.259 119.914 -0.073 0.000 2.332 616 V HA -0.281 4.035 4.120 0.328 0.000 0.248 616 V C 2.623 178.666 176.094 -0.086 0.000 1.055 616 V CA 1.526 63.754 62.300 -0.119 0.000 1.038 616 V CB -0.520 31.195 31.823 -0.180 0.000 0.651 616 V HN 0.479 nan 8.190 nan 0.000 0.450 617 Q N -0.347 119.382 119.800 -0.118 0.000 2.135 617 Q HA -0.149 4.388 4.340 0.328 0.000 0.204 617 Q C 2.348 178.198 176.000 -0.251 0.000 0.981 617 Q CA 1.487 57.195 55.803 -0.159 0.000 0.856 617 Q CB -0.805 27.809 28.738 -0.207 0.000 0.902 617 Q HN 0.556 nan 8.270 nan 0.000 0.425 618 V N 1.257 121.063 119.914 -0.179 0.000 2.720 618 V HA -0.220 4.097 4.120 0.328 0.000 0.256 618 V C 2.316 178.402 176.094 -0.014 0.000 1.082 618 V CA 1.021 63.252 62.300 -0.115 0.000 1.101 618 V CB -0.597 31.269 31.823 0.071 0.000 0.693 618 V HN 0.276 nan 8.190 nan 0.000 0.479 619 L N -0.434 120.796 121.223 0.013 0.000 2.131 619 L HA -0.206 4.331 4.340 0.328 0.000 0.210 619 L C 2.454 179.380 176.870 0.095 0.000 1.092 619 L CA 1.590 56.486 54.840 0.093 0.000 0.759 619 L CB -0.601 41.535 42.059 0.127 0.000 0.903 619 L HN 0.293 nan 8.230 nan 0.000 0.435 620 K N -1.027 119.376 120.400 0.004 0.000 2.360 620 K HA -0.162 4.355 4.320 0.328 0.000 0.201 620 K C 1.706 178.283 176.600 -0.039 0.000 1.046 620 K CA 1.013 57.247 56.287 -0.089 0.000 0.945 620 K CB -0.074 32.293 32.500 -0.222 0.000 0.750 620 K HN 0.222 nan 8.250 nan 0.000 0.464 621 Y N 1.624 121.926 120.300 0.005 0.000 2.519 621 Y HA 0.058 4.805 4.550 0.328 0.000 0.287 621 Y C 0.654 176.583 175.900 0.049 0.000 1.128 621 Y CA -0.109 58.019 58.100 0.046 0.000 1.282 621 Y CB -0.075 38.463 38.460 0.130 0.000 1.027 621 Y HN -0.077 nan 8.280 nan 0.000 0.551 622 E N 0.100 120.404 120.200 0.174 0.000 2.414 622 E HA -0.005 4.542 4.350 0.328 0.000 0.263 622 E C 1.012 177.611 176.600 -0.002 0.000 1.000 622 E CA 0.221 56.676 56.400 0.093 0.000 0.914 622 E CB 1.128 30.887 29.700 0.097 0.000 0.948 622 E HN 0.121 nan 8.360 nan 0.000 0.444 623 S N 1.971 117.608 115.700 -0.105 0.000 2.470 623 S HA -0.003 4.663 4.470 0.328 0.000 0.225 623 S C -0.128 174.058 174.600 -0.690 0.000 1.006 623 S CA 0.724 58.678 58.200 -0.410 0.000 0.934 623 S CB 0.056 62.925 63.200 -0.550 0.000 0.778 623 S HN 0.386 nan 8.310 nan 0.000 0.517 624 Y N -1.104 119.236 120.300 0.068 0.000 2.588 624 Y HA 0.440 5.187 4.550 0.328 0.000 0.343 624 Y C 0.746 176.681 175.900 0.058 0.000 1.065 624 Y CA -1.139 57.006 58.100 0.074 0.000 1.038 624 Y CB 0.754 39.287 38.460 0.121 0.000 1.297 624 Y HN -0.211 nan 8.280 nan 0.000 0.467 625 L N 0.108 121.443 121.223 0.187 0.000 1.994 625 L HA -0.107 4.430 4.340 0.328 0.000 0.208 625 L C 0.397 177.458 176.870 0.318 0.000 1.071 625 L CA 1.432 56.300 54.840 0.047 0.000 0.745 625 L CB -0.074 41.874 42.059 -0.185 0.000 0.892 625 L HN 0.588 nan 8.230 nan 0.000 0.431 626 D N 0.196 120.859 120.400 0.437 0.000 2.336 626 D HA 0.256 5.093 4.640 0.328 0.000 0.249 626 D C -0.682 175.756 176.300 0.229 0.000 1.213 626 D CA -0.147 54.083 54.000 0.383 0.000 0.870 626 D CB 0.626 41.584 40.800 0.263 0.000 1.076 626 D HN 0.271 nan 8.370 nan 0.000 0.483 627 C N 2.585 121.992 119.300 0.178 0.000 3.170 627 C HA 0.454 5.110 4.460 0.328 0.000 0.319 627 C C 1.375 176.403 174.990 0.063 0.000 1.260 627 C CA -0.813 58.274 59.018 0.116 0.000 1.374 627 C CB 1.722 29.548 27.740 0.143 0.000 1.739 627 C HN 0.513 nan 8.230 nan 0.000 0.479 628 E N 0.532 120.747 120.200 0.025 0.000 2.086 628 E HA -0.229 4.317 4.350 0.328 0.000 0.200 628 E C 1.757 178.391 176.600 0.058 0.000 1.012 628 E CA 1.764 58.167 56.400 0.004 0.000 0.812 628 E CB -0.258 29.425 29.700 -0.028 0.000 0.743 628 E HN 0.811 nan 8.360 nan 0.000 0.453 629 L N 1.171 122.440 121.223 0.075 0.000 2.012 629 L HA -0.184 4.352 4.340 0.328 0.000 0.210 629 L C 2.247 179.228 176.870 0.184 0.000 1.073 629 L CA 2.140 57.064 54.840 0.140 0.000 0.748 629 L CB -0.969 41.155 42.059 0.109 0.000 0.891 629 L HN 0.062 nan 8.230 nan 0.000 0.431 630 T N -0.538 114.099 114.554 0.138 0.000 2.684 630 T HA -0.246 4.301 4.350 0.328 0.000 0.267 630 T C 1.832 176.585 174.700 0.089 0.000 1.036 630 T CA 1.813 63.996 62.100 0.138 0.000 1.148 630 T CB -0.277 68.718 68.868 0.211 0.000 0.863 630 T HN 0.289 nan 8.240 nan 0.000 0.436 631 K N 1.073 121.480 120.400 0.011 0.000 2.032 631 K HA -0.105 4.412 4.320 0.328 0.000 0.209 631 K C 1.890 178.475 176.600 -0.025 0.000 1.048 631 K CA 1.404 57.601 56.287 -0.150 0.000 0.927 631 K CB -0.854 31.472 32.500 -0.290 0.000 0.712 631 K HN 0.310 nan 8.250 nan 0.000 0.441 632 F N 1.159 121.074 119.950 -0.059 0.000 2.046 632 F HA -0.159 4.565 4.527 0.328 0.000 0.297 632 F C 1.683 177.520 175.800 0.063 0.000 1.123 632 F CA 1.839 59.842 58.000 0.004 0.000 1.199 632 F CB -0.531 38.469 39.000 -0.000 0.000 0.972 632 F HN 0.030 nan 8.300 nan 0.000 0.474 633 L N -0.502 120.711 121.223 -0.017 0.000 2.013 633 L HA -0.271 4.265 4.340 0.328 0.000 0.212 633 L C 2.504 179.355 176.870 -0.032 0.000 1.073 633 L CA 1.038 55.824 54.840 -0.091 0.000 0.753 633 L CB -0.927 41.157 42.059 0.041 0.000 0.890 633 L HN 0.264 nan 8.230 nan 0.000 0.432 634 L N 0.165 121.437 121.223 0.081 0.000 1.994 634 L HA -0.114 4.423 4.340 0.328 0.000 0.208 634 L C 2.579 179.599 176.870 0.250 0.000 1.071 634 L CA 2.186 57.149 54.840 0.206 0.000 0.745 634 L CB -1.537 40.680 42.059 0.264 0.000 0.892 634 L HN 0.210 nan 8.230 nan 0.000 0.431 635 G N -0.919 108.066 108.800 0.308 0.000 2.476 635 G HA2 -0.282 3.875 3.960 0.328 0.000 0.218 635 G HA3 -0.282 3.875 3.960 0.328 0.000 0.218 635 G C 1.723 176.654 174.900 0.051 0.000 1.164 635 G CA 0.604 45.869 45.100 0.275 0.000 0.768 635 G HN 0.246 nan 8.290 nan 0.000 0.560 636 R N 0.653 121.090 120.500 -0.105 0.000 2.073 636 R HA 0.125 4.662 4.340 0.328 0.000 0.229 636 R C 2.969 179.264 176.300 -0.008 0.000 1.120 636 R CA 1.155 57.169 56.100 -0.143 0.000 0.967 636 R CB -1.174 28.898 30.300 -0.379 0.000 0.862 636 R HN 0.350 nan 8.270 nan 0.000 0.436 637 A N 1.415 124.261 122.820 0.044 0.000 1.908 637 A HA -0.110 4.407 4.320 0.328 0.000 0.218 637 A C 2.315 180.082 177.584 0.305 0.000 1.181 637 A CA 1.191 53.324 52.037 0.159 0.000 0.627 637 A CB -0.569 18.518 19.000 0.145 0.000 0.818 637 A HN 0.193 nan 8.150 nan 0.000 0.445 638 L N -1.326 120.047 121.223 0.250 0.000 2.291 638 L HA -0.064 4.473 4.340 0.328 0.000 0.214 638 L C 2.756 179.730 176.870 0.173 0.000 1.120 638 L CA 0.748 55.700 54.840 0.187 0.000 0.799 638 L CB -0.252 41.818 42.059 0.018 0.000 0.925 638 L HN 0.445 nan 8.230 nan 0.000 0.446 639 A N -1.221 121.686 122.820 0.144 0.000 2.132 639 A HA 0.018 4.534 4.320 0.328 0.000 0.213 639 A C 0.799 178.527 177.584 0.240 0.000 1.154 639 A CA 0.326 52.456 52.037 0.154 0.000 0.753 639 A CB -0.032 19.003 19.000 0.058 0.000 0.826 639 A HN 0.334 nan 8.150 nan 0.000 0.469 640 N N -0.479 118.300 118.700 0.132 0.000 2.519 640 N HA 0.202 5.139 4.740 0.328 0.000 0.286 640 N C 0.326 175.716 175.510 -0.199 0.000 1.079 640 N CA -0.384 52.613 53.050 -0.088 0.000 0.878 640 N CB 1.242 39.696 38.487 -0.056 0.000 1.375 640 N HN 0.238 nan 8.380 nan 0.000 0.514 641 R N 2.574 122.683 120.500 -0.651 0.000 2.096 641 R HA -0.119 4.418 4.340 0.328 0.000 0.235 641 R C 1.706 177.861 176.300 -0.242 0.000 1.127 641 R CA 1.546 57.303 56.100 -0.572 0.000 0.968 641 R CB 0.231 29.916 30.300 -1.025 0.000 0.861 641 R HN 0.538 nan 8.270 nan 0.000 0.440 642 K N 0.331 120.597 120.400 -0.223 0.000 2.026 642 K HA -0.142 4.375 4.320 0.328 0.000 0.208 642 K C 1.935 178.629 176.600 0.156 0.000 1.048 642 K CA 1.409 57.665 56.287 -0.052 0.000 0.929 642 K CB -0.035 32.378 32.500 -0.145 0.000 0.713 642 K HN 0.059 nan 8.250 nan 0.000 0.439 643 I N 1.432 122.058 120.570 0.093 0.000 2.163 643 I HA -0.179 4.187 4.170 0.328 0.000 0.243 643 I C 2.541 178.762 176.117 0.172 0.000 1.085 643 I CA 1.833 63.245 61.300 0.186 0.000 1.347 643 I CB -1.830 36.228 38.000 0.097 0.000 1.044 643 I HN 0.449 nan 8.210 nan 0.000 0.408 644 G N -0.328 108.543 108.800 0.120 0.000 2.440 644 G HA2 -0.346 3.810 3.960 0.328 0.000 0.218 644 G HA3 -0.346 3.810 3.960 0.328 0.000 0.218 644 G C 1.639 176.530 174.900 -0.016 0.000 1.154 644 G CA 1.441 46.553 45.100 0.020 0.000 0.767 644 G HN 0.498 nan 8.290 nan 0.000 0.552 645 H N -0.061 119.077 119.070 0.114 0.000 2.267 645 H HA -0.057 4.696 4.556 0.327 0.000 0.297 645 H C 2.222 177.525 175.328 -0.041 0.000 1.080 645 H CA 1.990 58.077 56.048 0.065 0.000 1.278 645 H CB -0.353 29.373 29.762 -0.058 0.000 1.365 645 H HN 0.319 nan 8.280 nan 0.000 0.489 646 F N -0.377 119.700 119.950 0.212 0.000 2.234 646 F HA -0.074 4.649 4.527 0.328 0.000 0.299 646 F C 2.380 178.100 175.800 -0.133 0.000 1.087 646 F CA 0.821 58.850 58.000 0.048 0.000 1.340 646 F CB -0.566 38.572 39.000 0.229 0.000 1.031 646 F HN 0.242 nan 8.300 nan 0.000 0.500 647 L N -0.408 120.870 121.223 0.092 0.000 2.046 647 L HA -0.211 4.326 4.340 0.328 0.000 0.208 647 L C 2.262 179.026 176.870 -0.177 0.000 1.077 647 L CA 1.611 56.439 54.840 -0.021 0.000 0.747 647 L CB -1.139 40.870 42.059 -0.083 0.000 0.896 647 L HN 0.166 nan 8.230 nan 0.000 0.432 648 F N -0.714 118.986 119.950 -0.418 0.000 2.065 648 F HA -0.276 4.447 4.527 0.327 0.000 0.298 648 F C 1.921 177.452 175.800 -0.449 0.000 1.112 648 F CA 2.104 59.777 58.000 -0.544 0.000 1.212 648 F CB -0.818 37.713 39.000 -0.782 0.000 0.975 648 F HN 0.144 nan 8.300 nan 0.000 0.476 649 W N -0.340 120.732 121.300 -0.378 0.000 2.388 649 W HA -0.175 4.681 4.660 0.328 0.000 0.294 649 W C 2.735 179.102 176.519 -0.254 0.000 1.212 649 W CA 1.169 58.289 57.345 -0.375 0.000 1.271 649 W CB -0.614 28.684 29.460 -0.270 0.000 1.126 649 W HN 0.086 nan 8.180 nan 0.000 0.535 650 H N 0.157 119.275 119.070 0.081 0.000 2.352 650 H HA -0.150 4.602 4.556 0.328 0.000 0.299 650 H C 2.131 177.406 175.328 -0.088 0.000 1.097 650 H CA 1.719 57.775 56.048 0.013 0.000 1.311 650 H CB -0.896 28.852 29.762 -0.023 0.000 1.377 650 H HN 0.232 nan 8.280 nan 0.000 0.504 651 L N -0.122 121.000 121.223 -0.167 0.000 2.072 651 L HA -0.093 4.443 4.340 0.328 0.000 0.205 651 L C 2.749 179.587 176.870 -0.053 0.000 1.079 651 L CA 0.973 55.667 54.840 -0.245 0.000 0.752 651 L CB -0.312 41.479 42.059 -0.447 0.000 0.906 651 L HN 0.067 nan 8.230 nan 0.000 0.436 652 R N 1.132 121.420 120.500 -0.353 0.000 2.091 652 R HA -0.165 4.372 4.340 0.328 0.000 0.238 652 R C 2.464 178.801 176.300 0.061 0.000 1.136 652 R CA 1.932 57.850 56.100 -0.302 0.000 0.959 652 R CB -0.784 29.069 30.300 -0.745 0.000 0.856 652 R HN 0.491 nan 8.270 nan 0.000 0.437 653 S N -0.140 115.659 115.700 0.166 0.000 2.500 653 S HA -0.089 4.578 4.470 0.328 0.000 0.239 653 S C 0.886 175.663 174.600 0.295 0.000 0.989 653 S CA 1.210 59.560 58.200 0.251 0.000 0.951 653 S CB -0.212 63.136 63.200 0.246 0.000 0.759 653 S HN 0.541 nan 8.310 nan 0.000 0.523 654 E N 0.024 120.360 120.200 0.227 0.000 2.538 654 E HA 0.243 4.790 4.350 0.328 0.000 0.207 654 E C 0.828 177.374 176.600 -0.090 0.000 1.002 654 E CA -0.301 56.128 56.400 0.049 0.000 0.952 654 E CB -0.004 29.737 29.700 0.068 0.000 1.031 654 E HN 0.418 nan 8.360 nan 0.000 0.476 655 M N 1.294 120.945 119.600 0.085 0.000 2.460 655 M HA -0.098 4.579 4.480 0.328 0.000 0.263 655 M C 1.990 178.303 176.300 0.021 0.000 1.071 655 M CA 1.297 56.623 55.300 0.044 0.000 1.096 655 M CB -0.943 31.708 32.600 0.085 0.000 1.408 655 M HN 0.299 nan 8.290 nan 0.000 0.463 656 H N -1.031 118.046 119.070 0.012 0.000 2.547 656 H HA 0.195 4.949 4.556 0.330 0.000 0.266 656 H C -0.118 175.207 175.328 -0.006 0.000 0.988 656 H CA 0.200 56.255 56.048 0.010 0.000 1.147 656 H CB -0.574 29.202 29.762 0.023 0.000 1.365 656 H HN 0.096 nan 8.280 nan 0.000 0.589 657 V N 3.811 123.436 119.914 -0.483 0.000 2.318 657 V HA 0.121 4.438 4.120 0.328 0.000 0.271 657 V C -1.459 174.512 176.094 -0.204 0.000 1.030 657 V CA -1.234 60.844 62.300 -0.370 0.000 0.844 657 V CB 1.649 33.190 31.823 -0.469 0.000 1.015 657 V HN 0.118 nan 8.190 nan 0.000 0.460 658 P HA -0.150 nan 4.420 nan 0.000 0.218 658 P C 1.794 179.137 177.300 0.072 0.000 1.148 658 P CA 1.541 64.672 63.100 0.052 0.000 0.822 658 P CB 0.179 31.994 31.700 0.192 0.000 0.784 659 S N -1.325 114.324 115.700 -0.085 0.000 2.474 659 S HA -0.074 4.592 4.470 0.328 0.000 0.235 659 S C 1.584 176.030 174.600 -0.256 0.000 0.997 659 S CA 1.238 59.288 58.200 -0.250 0.000 0.949 659 S CB -1.275 61.539 63.200 -0.644 0.000 0.766 659 S HN 0.196 nan 8.310 nan 0.000 0.517 660 V N -3.463 116.240 119.914 -0.351 0.000 3.451 660 V HA 0.680 4.997 4.120 0.328 0.000 0.288 660 V C 2.102 177.908 176.094 -0.479 0.000 1.502 660 V CA 0.176 62.121 62.300 -0.590 0.000 1.026 660 V CB -0.505 30.643 31.823 -1.125 0.000 0.840 660 V HN 0.356 nan 8.190 nan 0.000 0.437 661 A N 1.433 124.107 122.820 -0.244 0.000 1.908 661 A HA -0.109 4.407 4.320 0.328 0.000 0.218 661 A C 2.046 179.646 177.584 0.027 0.000 1.181 661 A CA 2.358 54.342 52.037 -0.089 0.000 0.627 661 A CB -0.567 18.409 19.000 -0.041 0.000 0.818 661 A HN 0.627 nan 8.150 nan 0.000 0.445 662 L N -0.058 121.180 121.223 0.025 0.000 1.955 662 L HA -0.170 4.366 4.340 0.328 0.000 0.213 662 L C 2.444 179.307 176.870 -0.012 0.000 1.072 662 L CA 2.645 57.537 54.840 0.086 0.000 0.755 662 L CB -0.863 41.218 42.059 0.037 0.000 0.888 662 L HN 0.485 nan 8.230 nan 0.000 0.432 663 R N -1.377 119.081 120.500 -0.070 0.000 2.097 663 R HA -0.238 4.299 4.340 0.328 0.000 0.236 663 R C 2.308 178.687 176.300 0.133 0.000 1.135 663 R CA 2.355 58.418 56.100 -0.061 0.000 0.934 663 R CB -0.550 29.762 30.300 0.020 0.000 0.846 663 R HN 0.370 nan 8.270 nan 0.000 0.431 664 F N 0.128 120.029 119.950 -0.082 0.000 2.202 664 F HA -0.024 4.699 4.527 0.327 0.000 0.301 664 F C 2.440 178.235 175.800 -0.008 0.000 1.082 664 F CA 1.190 59.160 58.000 -0.050 0.000 1.313 664 F CB -1.344 37.619 39.000 -0.061 0.000 1.024 664 F HN 0.258 nan 8.300 nan 0.000 0.495 665 G N 0.130 109.076 108.800 0.243 0.000 2.421 665 G HA2 -0.186 3.970 3.960 0.328 0.000 0.216 665 G HA3 -0.186 3.970 3.960 0.328 0.000 0.216 665 G C 1.891 176.929 174.900 0.231 0.000 1.171 665 G CA 0.678 45.964 45.100 0.310 0.000 0.775 665 G HN 0.320 nan 8.290 nan 0.000 0.543 666 L N 0.073 121.252 121.223 -0.074 0.000 2.017 666 L HA -0.064 4.472 4.340 0.328 0.000 0.208 666 L C 2.895 179.855 176.870 0.150 0.000 1.073 666 L CA 0.830 55.526 54.840 -0.241 0.000 0.745 666 L CB -0.429 41.265 42.059 -0.608 0.000 0.894 666 L HN 0.205 nan 8.230 nan 0.000 0.432 667 I N -0.668 119.999 120.570 0.161 0.000 2.163 667 I HA -0.360 4.007 4.170 0.328 0.000 0.243 667 I C 2.673 178.917 176.117 0.211 0.000 1.085 667 I CA 1.605 63.051 61.300 0.244 0.000 1.347 667 I CB -0.257 37.825 38.000 0.136 0.000 1.044 667 I HN 0.254 nan 8.210 nan 0.000 0.408 668 M N -0.070 119.629 119.600 0.165 0.000 2.108 668 M HA -0.262 4.415 4.480 0.328 0.000 0.261 668 M C 2.338 178.799 176.300 0.269 0.000 1.066 668 M CA 1.805 57.233 55.300 0.215 0.000 1.107 668 M CB -0.509 32.188 32.600 0.161 0.000 1.356 668 M HN 0.264 nan 8.290 nan 0.000 0.406 669 E N 0.570 120.914 120.200 0.241 0.000 2.038 669 E HA -0.239 4.308 4.350 0.328 0.000 0.195 669 E C 1.934 178.644 176.600 0.183 0.000 1.000 669 E CA 1.647 58.179 56.400 0.221 0.000 0.803 669 E CB -0.057 29.787 29.700 0.240 0.000 0.750 669 E HN 0.471 nan 8.360 nan 0.000 0.448 670 A N 0.397 123.334 122.820 0.194 0.000 1.883 670 A HA -0.244 4.273 4.320 0.328 0.000 0.217 670 A C 2.125 179.799 177.584 0.149 0.000 1.186 670 A CA 1.782 53.910 52.037 0.152 0.000 0.624 670 A CB -1.232 17.858 19.000 0.150 0.000 0.822 670 A HN 0.630 nan 8.150 nan 0.000 0.444 671 Y N 0.385 120.744 120.300 0.098 0.000 2.069 671 Y HA -0.361 4.385 4.550 0.328 0.000 0.278 671 Y C 2.681 178.615 175.900 0.057 0.000 1.175 671 Y CA 1.754 59.903 58.100 0.083 0.000 1.134 671 Y CB -0.965 37.553 38.460 0.097 0.000 0.965 671 Y HN 0.399 nan 8.280 nan 0.000 0.498 672 C N 0.938 120.280 119.300 0.071 0.000 2.403 672 C HA -0.215 4.442 4.460 0.328 0.000 0.277 672 C C 2.664 177.602 174.990 -0.087 0.000 1.248 672 C CA 1.220 60.215 59.018 -0.039 0.000 1.762 672 C CB -1.184 26.587 27.740 0.050 0.000 2.014 672 C HN 0.527 nan 8.230 nan 0.000 0.486 673 R N 0.573 121.049 120.500 -0.040 0.000 2.120 673 R HA -0.060 4.476 4.340 0.328 0.000 0.234 673 R C 2.355 178.596 176.300 -0.099 0.000 1.123 673 R CA 1.593 57.667 56.100 -0.043 0.000 0.975 673 R CB -1.265 29.031 30.300 -0.006 0.000 0.866 673 R HN 0.635 nan 8.270 nan 0.000 0.446 674 G N -0.674 108.025 108.800 -0.168 0.000 2.551 674 G HA2 -0.101 4.056 3.960 0.328 0.000 0.216 674 G HA3 -0.101 4.056 3.960 0.328 0.000 0.216 674 G C 0.368 175.114 174.900 -0.257 0.000 1.137 674 G CA 0.222 45.189 45.100 -0.221 0.000 0.798 674 G HN 0.274 nan 8.290 nan 0.000 0.536 675 S N -0.624 114.888 115.700 -0.313 0.000 2.461 675 S HA 0.388 5.055 4.470 0.328 0.000 0.216 675 S C 1.144 175.696 174.600 -0.080 0.000 1.201 675 S CA -0.269 57.827 58.200 -0.173 0.000 1.171 675 S CB 0.661 63.781 63.200 -0.134 0.000 1.169 675 S HN 0.069 nan 8.310 nan 0.000 0.456 676 T N 3.454 117.992 114.554 -0.027 0.000 2.684 676 T HA -0.160 4.387 4.350 0.328 0.000 0.267 676 T C 1.653 176.378 174.700 0.043 0.000 1.036 676 T CA 1.574 63.674 62.100 -0.000 0.000 1.148 676 T CB -0.484 68.389 68.868 0.008 0.000 0.863 676 T HN 0.790 nan 8.240 nan 0.000 0.436 677 H N 0.508 119.593 119.070 0.025 0.000 2.290 677 H HA -0.129 4.624 4.556 0.328 0.000 0.298 677 H C 2.277 177.678 175.328 0.121 0.000 1.087 677 H CA 2.003 58.093 56.048 0.071 0.000 1.291 677 H CB -0.477 29.345 29.762 0.098 0.000 1.369 677 H HN 0.570 nan 8.280 nan 0.000 0.492 678 H N -0.010 119.132 119.070 0.119 0.000 2.421 678 H HA -0.121 4.631 4.556 0.328 0.000 0.298 678 H C 2.652 177.939 175.328 -0.069 0.000 1.087 678 H CA 0.976 57.066 56.048 0.071 0.000 1.330 678 H CB 0.069 29.922 29.762 0.152 0.000 1.388 678 H HN 0.367 nan 8.280 nan 0.000 0.526 679 M N 1.012 120.550 119.600 -0.104 0.000 2.082 679 M HA -0.240 4.437 4.480 0.328 0.000 0.258 679 M C 1.800 177.975 176.300 -0.208 0.000 1.069 679 M CA 1.991 57.166 55.300 -0.210 0.000 1.102 679 M CB -0.012 32.518 32.600 -0.117 0.000 1.336 679 M HN 0.151 nan 8.290 nan 0.000 0.404 680 K N -0.522 119.782 120.400 -0.160 0.000 2.103 680 K HA -0.065 4.452 4.320 0.328 0.000 0.204 680 K C 1.779 178.299 176.600 -0.134 0.000 1.052 680 K CA 1.391 57.589 56.287 -0.147 0.000 0.945 680 K CB -0.237 32.167 32.500 -0.160 0.000 0.722 680 K HN 0.253 nan 8.250 nan 0.000 0.443 681 V N 1.831 121.662 119.914 -0.137 0.000 2.332 681 V HA -0.244 4.073 4.120 0.328 0.000 0.248 681 V C 2.119 178.196 176.094 -0.028 0.000 1.055 681 V CA 1.669 63.961 62.300 -0.014 0.000 1.038 681 V CB -0.451 31.476 31.823 0.173 0.000 0.651 681 V HN 0.258 nan 8.190 nan 0.000 0.450 682 L N -1.342 119.756 121.223 -0.208 0.000 2.109 682 L HA -0.144 4.392 4.340 0.328 0.000 0.207 682 L C 2.516 179.281 176.870 -0.175 0.000 1.086 682 L CA 1.379 56.019 54.840 -0.333 0.000 0.760 682 L CB -0.492 40.975 42.059 -0.987 0.000 0.910 682 L HN 0.282 nan 8.230 nan 0.000 0.437 683 M N -0.176 119.330 119.600 -0.156 0.000 2.080 683 M HA -0.244 4.433 4.480 0.328 0.000 0.260 683 M C 2.383 178.691 176.300 0.012 0.000 1.068 683 M CA 1.688 56.955 55.300 -0.055 0.000 1.109 683 M CB -0.399 32.166 32.600 -0.058 0.000 1.342 683 M HN 0.047 nan 8.290 nan 0.000 0.405 684 K N 0.857 121.263 120.400 0.010 0.000 2.044 684 K HA -0.213 4.304 4.320 0.328 0.000 0.210 684 K C 1.794 178.444 176.600 0.082 0.000 1.049 684 K CA 1.888 58.200 56.287 0.041 0.000 0.927 684 K CB -0.281 32.245 32.500 0.044 0.000 0.713 684 K HN 0.392 nan 8.250 nan 0.000 0.443 685 Q N -1.077 118.804 119.800 0.136 0.000 2.084 685 Q HA -0.057 4.480 4.340 0.328 0.000 0.202 685 Q C 2.174 178.336 176.000 0.270 0.000 0.978 685 Q CA 1.536 57.474 55.803 0.224 0.000 0.844 685 Q CB -0.346 28.637 28.738 0.408 0.000 0.898 685 Q HN 0.567 nan 8.270 nan 0.000 0.426 686 G N 0.718 109.704 108.800 0.309 0.000 2.408 686 G HA2 -0.247 3.910 3.960 0.328 0.000 0.217 686 G HA3 -0.247 3.910 3.960 0.328 0.000 0.217 686 G C 1.014 176.006 174.900 0.153 0.000 1.150 686 G CA 0.609 45.895 45.100 0.310 0.000 0.776 686 G HN 0.312 nan 8.290 nan 0.000 0.542 687 E N 0.516 120.769 120.200 0.088 0.000 2.110 687 E HA 0.001 4.547 4.350 0.328 0.000 0.193 687 E C 2.867 179.463 176.600 -0.007 0.000 0.988 687 E CA 0.769 57.184 56.400 0.024 0.000 0.804 687 E CB -0.142 29.561 29.700 0.004 0.000 0.745 687 E HN 0.413 nan 8.360 nan 0.000 0.458 688 A N 0.942 123.773 122.820 0.019 0.000 1.898 688 A HA -0.128 4.388 4.320 0.328 0.000 0.216 688 A C 2.152 179.704 177.584 -0.052 0.000 1.181 688 A CA 0.953 52.981 52.037 -0.014 0.000 0.620 688 A CB -0.512 18.503 19.000 0.025 0.000 0.819 688 A HN 0.130 nan 8.150 nan 0.000 0.442 689 L N -0.771 120.454 121.223 0.004 0.000 2.093 689 L HA -0.128 4.409 4.340 0.328 0.000 0.208 689 L C 2.891 179.745 176.870 -0.028 0.000 1.085 689 L CA 1.326 56.165 54.840 -0.002 0.000 0.755 689 L CB -0.350 41.788 42.059 0.132 0.000 0.904 689 L HN 0.491 nan 8.230 nan 0.000 0.435 690 S N -0.270 115.434 115.700 0.007 0.000 2.368 690 S HA -0.176 4.491 4.470 0.328 0.000 0.225 690 S C 2.131 176.679 174.600 -0.087 0.000 1.030 690 S CA 1.237 59.433 58.200 -0.007 0.000 0.999 690 S CB -0.006 63.196 63.200 0.004 0.000 0.844 690 S HN 0.237 nan 8.310 nan 0.000 0.459 691 K N 0.961 121.262 120.400 -0.166 0.000 2.097 691 K HA 0.078 4.595 4.320 0.328 0.000 0.205 691 K C 2.100 178.611 176.600 -0.149 0.000 1.050 691 K CA 0.799 56.927 56.287 -0.265 0.000 0.938 691 K CB -0.687 31.538 32.500 -0.458 0.000 0.718 691 K HN 0.436 nan 8.250 nan 0.000 0.442 692 L N 0.840 121.883 121.223 -0.300 0.000 2.056 692 L HA -0.179 4.358 4.340 0.328 0.000 0.207 692 L C 2.500 178.977 176.870 -0.656 0.000 1.078 692 L CA 1.023 55.500 54.840 -0.604 0.000 0.749 692 L CB -0.408 40.976 42.059 -1.126 0.000 0.901 692 L HN 0.062 nan 8.230 nan 0.000 0.433 693 K N 0.965 121.112 120.400 -0.422 0.000 2.009 693 K HA -0.168 4.349 4.320 0.328 0.000 0.210 693 K C 2.011 178.671 176.600 0.100 0.000 1.049 693 K CA 1.968 58.301 56.287 0.077 0.000 0.929 693 K CB -0.559 32.055 32.500 0.190 0.000 0.714 693 K HN 0.204 nan 8.250 nan 0.000 0.440 694 A N 0.554 123.414 122.820 0.067 0.000 1.902 694 A HA -0.111 4.406 4.320 0.328 0.000 0.217 694 A C 2.209 179.899 177.584 0.176 0.000 1.181 694 A CA 1.684 53.799 52.037 0.130 0.000 0.623 694 A CB -0.766 18.315 19.000 0.134 0.000 0.818 694 A HN 0.385 nan 8.150 nan 0.000 0.443 695 L N 0.301 121.626 121.223 0.170 0.000 2.046 695 L HA -0.162 4.375 4.340 0.328 0.000 0.208 695 L C 2.067 179.030 176.870 0.155 0.000 1.077 695 L CA 2.336 57.258 54.840 0.137 0.000 0.747 695 L CB -0.690 41.431 42.059 0.104 0.000 0.896 695 L HN 0.418 nan 8.230 nan 0.000 0.432 696 N N -0.081 118.706 118.700 0.145 0.000 2.084 696 N HA -0.210 4.727 4.740 0.328 0.000 0.190 696 N C 1.509 177.104 175.510 0.142 0.000 1.030 696 N CA 1.645 54.813 53.050 0.195 0.000 0.849 696 N CB -0.255 38.465 38.487 0.389 0.000 1.012 696 N HN 0.398 nan 8.380 nan 0.000 0.423 697 D N -0.127 120.363 120.400 0.151 0.000 2.116 697 D HA -0.181 4.655 4.640 0.328 0.000 0.193 697 D C 1.743 178.087 176.300 0.074 0.000 0.998 697 D CA 0.710 54.772 54.000 0.104 0.000 0.836 697 D CB -0.629 40.239 40.800 0.112 0.000 0.951 697 D HN 0.334 nan 8.370 nan 0.000 0.449 698 F N 1.525 121.465 119.950 -0.015 0.000 2.069 698 F HA -0.255 4.246 4.527 -0.044 0.000 0.298 698 F C 2.225 177.960 175.800 -0.107 0.000 1.113 698 F CA 1.249 59.218 58.000 -0.052 0.000 1.214 698 F CB -0.335 38.628 39.000 -0.061 0.000 0.978 698 F HN -0.199 nan 8.300 nan 0.000 0.474 699 V N 0.845 120.728 119.914 -0.053 0.000 2.332 699 V HA -0.324 3.993 4.120 0.328 0.000 0.248 699 V C 2.406 178.269 176.094 -0.384 0.000 1.055 699 V CA 2.304 64.407 62.300 -0.329 0.000 1.038 699 V CB -0.764 30.856 31.823 -0.338 0.000 0.651 699 V HN 0.324 nan 8.190 nan 0.000 0.450 700 K N -0.424 119.856 120.400 -0.201 0.000 2.026 700 K HA -0.140 4.376 4.320 0.328 0.000 0.208 700 K C 2.081 178.586 176.600 -0.158 0.000 1.048 700 K CA 1.510 57.721 56.287 -0.127 0.000 0.929 700 K CB -0.385 32.092 32.500 -0.038 0.000 0.713 700 K HN 0.331 nan 8.250 nan 0.000 0.439 701 V N 0.658 120.451 119.914 -0.202 0.000 2.244 701 V HA -0.257 4.060 4.120 0.328 0.000 0.244 701 V C 2.417 178.337 176.094 -0.289 0.000 1.042 701 V CA 2.081 64.255 62.300 -0.210 0.000 1.006 701 V CB -0.465 31.238 31.823 -0.199 0.000 0.641 701 V HN 0.392 nan 8.190 nan 0.000 0.446 702 S N 0.901 116.295 115.700 -0.511 0.000 2.365 702 S HA -0.234 4.433 4.470 0.328 0.000 0.225 702 S C 2.219 176.655 174.600 -0.273 0.000 1.039 702 S CA 2.321 60.222 58.200 -0.500 0.000 1.033 702 S CB -0.534 62.157 63.200 -0.848 0.000 0.887 702 S HN 0.814 nan 8.310 nan 0.000 0.447 703 S N 0.280 115.828 115.700 -0.253 0.000 2.469 703 S HA -0.064 4.603 4.470 0.328 0.000 0.238 703 S C 1.751 176.329 174.600 -0.037 0.000 0.998 703 S CA 0.962 59.107 58.200 -0.091 0.000 0.957 703 S CB -0.531 62.648 63.200 -0.035 0.000 0.764 703 S HN 0.718 nan 8.310 nan 0.000 0.514 704 Q N 0.224 119.981 119.800 -0.072 0.000 2.331 704 Q HA 0.178 4.715 4.340 0.328 0.000 0.203 704 Q C 1.325 177.300 176.000 -0.042 0.000 0.944 704 Q CA 0.737 56.515 55.803 -0.042 0.000 0.892 704 Q CB 0.077 28.788 28.738 -0.046 0.000 0.983 704 Q HN 0.452 nan 8.270 nan 0.000 0.482 705 K N -0.873 119.489 120.400 -0.063 0.000 2.358 705 K HA 0.162 4.679 4.320 0.328 0.000 0.200 705 K C -0.037 176.539 176.600 -0.040 0.000 1.030 705 K CA 0.220 56.476 56.287 -0.052 0.000 1.097 705 K CB 1.444 33.904 32.500 -0.067 0.000 0.862 705 K HN -0.098 nan 8.250 nan 0.000 0.534 706 T N -0.910 113.623 114.554 -0.035 0.000 2.769 706 T HA 0.235 4.782 4.350 0.328 0.000 0.306 706 T C -1.148 173.558 174.700 0.010 0.000 1.400 706 T CA -0.728 61.362 62.100 -0.017 0.000 1.007 706 T CB 1.073 69.924 68.868 -0.028 0.000 1.392 706 T HN 0.167 nan 8.240 nan 0.000 0.500 707 T N 0.179 114.743 114.554 0.018 0.000 2.828 707 T HA 0.335 4.882 4.350 0.328 0.000 0.290 707 T C 1.379 176.121 174.700 0.070 0.000 1.019 707 T CA -0.134 61.985 62.100 0.031 0.000 1.031 707 T CB 0.917 69.792 68.868 0.013 0.000 1.001 707 T HN 0.787 nan 8.240 nan 0.000 0.531 708 K N 1.283 121.726 120.400 0.072 0.000 2.032 708 K HA -0.045 4.472 4.320 0.328 0.000 0.209 708 K C -0.655 176.005 176.600 0.100 0.000 1.048 708 K CA 1.384 57.739 56.287 0.113 0.000 0.927 708 K CB -1.234 31.226 32.500 -0.066 0.000 0.712 708 K HN 0.508 nan 8.250 nan 0.000 0.441 709 P HA -0.177 nan 4.420 nan 0.000 0.218 709 P C 0.991 178.302 177.300 0.019 0.000 1.148 709 P CA 1.466 64.570 63.100 0.007 0.000 0.822 709 P CB -0.005 31.690 31.700 -0.008 0.000 0.784 710 Q N -0.845 118.975 119.800 0.032 0.000 2.079 710 Q HA -0.080 4.457 4.340 0.328 0.000 0.200 710 Q C 2.146 178.171 176.000 0.041 0.000 0.974 710 Q CA 1.925 57.745 55.803 0.027 0.000 0.840 710 Q CB -0.486 28.263 28.738 0.019 0.000 0.898 710 Q HN 0.226 nan 8.270 nan 0.000 0.430 711 T N 0.500 115.097 114.554 0.071 0.000 2.857 711 T HA -0.106 4.441 4.350 0.328 0.000 0.266 711 T C 1.596 176.348 174.700 0.086 0.000 1.048 711 T CA 1.042 63.171 62.100 0.049 0.000 1.139 711 T CB -0.034 68.807 68.868 -0.044 0.000 0.874 711 T HN 0.213 nan 8.240 nan 0.000 0.455 712 K N 1.299 121.781 120.400 0.136 0.000 2.002 712 K HA -0.148 4.369 4.320 0.328 0.000 0.209 712 K C 2.355 178.773 176.600 -0.302 0.000 1.048 712 K CA 1.571 57.851 56.287 -0.012 0.000 0.930 712 K CB -0.117 32.367 32.500 -0.027 0.000 0.714 712 K HN 0.351 nan 8.250 nan 0.000 0.438 713 E N -0.135 119.948 120.200 -0.195 0.000 2.118 713 E HA -0.213 4.333 4.350 0.328 0.000 0.195 713 E C 1.962 178.539 176.600 -0.038 0.000 0.992 713 E CA 1.304 57.619 56.400 -0.143 0.000 0.804 713 E CB 0.069 29.743 29.700 -0.045 0.000 0.741 713 E HN 0.305 nan 8.360 nan 0.000 0.458 714 M N 0.109 119.726 119.600 0.028 0.000 2.132 714 M HA -0.150 4.527 4.480 0.328 0.000 0.263 714 M C 2.409 178.704 176.300 -0.008 0.000 1.065 714 M CA 1.274 56.631 55.300 0.096 0.000 1.122 714 M CB -0.934 31.874 32.600 0.347 0.000 1.365 714 M HN 0.327 nan 8.290 nan 0.000 0.411 715 M N -0.338 119.303 119.600 0.068 0.000 2.080 715 M HA -0.260 4.416 4.480 0.328 0.000 0.260 715 M C 2.150 178.454 176.300 0.007 0.000 1.068 715 M CA 1.887 57.191 55.300 0.007 0.000 1.109 715 M CB -0.442 32.215 32.600 0.096 0.000 1.342 715 M HN 0.334 nan 8.290 nan 0.000 0.405 716 H N -0.486 118.547 119.070 -0.061 0.000 2.319 716 H HA -0.175 4.581 4.556 0.333 0.000 0.299 716 H C 2.133 177.386 175.328 -0.124 0.000 1.092 716 H CA 1.764 57.768 56.048 -0.073 0.000 1.302 716 H CB -0.179 29.568 29.762 -0.024 0.000 1.373 716 H HN 0.472 nan 8.280 nan 0.000 0.497 717 M N -0.212 119.387 119.600 -0.002 0.000 2.117 717 M HA -0.187 4.489 4.480 0.328 0.000 0.262 717 M C 2.841 179.005 176.300 -0.226 0.000 1.065 717 M CA 0.887 56.131 55.300 -0.093 0.000 1.114 717 M CB -0.324 32.227 32.600 -0.082 0.000 1.361 717 M HN 0.371 nan 8.290 nan 0.000 0.408 718 C N 0.991 120.062 119.300 -0.382 0.000 2.413 718 C HA -0.156 4.501 4.460 0.328 0.000 0.276 718 C C 2.726 177.307 174.990 -0.682 0.000 1.248 718 C CA 1.090 59.727 59.018 -0.635 0.000 1.742 718 C CB -0.643 26.550 27.740 -0.911 0.000 2.017 718 C HN 0.541 nan 8.230 nan 0.000 0.481 719 M N -0.375 118.966 119.600 -0.431 0.000 2.254 719 M HA -0.051 4.626 4.480 0.328 0.000 0.265 719 M C 2.250 178.478 176.300 -0.121 0.000 1.066 719 M CA 1.363 56.505 55.300 -0.263 0.000 1.123 719 M CB -0.428 32.097 32.600 -0.126 0.000 1.388 719 M HN 0.337 nan 8.290 nan 0.000 0.425 720 R N 0.267 120.694 120.500 -0.120 0.000 2.323 720 R HA 0.052 4.588 4.340 0.328 0.000 0.198 720 R C 0.199 176.476 176.300 -0.037 0.000 0.988 720 R CA 0.120 56.182 56.100 -0.063 0.000 1.041 720 R CB -0.115 30.152 30.300 -0.056 0.000 0.926 720 R HN 0.533 nan 8.270 nan 0.000 0.476 721 Q N 0.692 120.460 119.800 -0.054 0.000 2.361 721 Q HA -0.063 4.474 4.340 0.328 0.000 0.276 721 Q C 0.668 176.715 176.000 0.079 0.000 1.022 721 Q CA 0.209 56.020 55.803 0.012 0.000 0.898 721 Q CB 0.730 29.485 28.738 0.028 0.000 1.246 721 Q HN 0.201 nan 8.270 nan 0.000 0.410 722 E N 0.696 120.931 120.200 0.059 0.000 2.097 722 E HA -0.249 4.298 4.350 0.328 0.000 0.196 722 E C 1.917 178.558 176.600 0.068 0.000 1.000 722 E CA 1.949 58.383 56.400 0.056 0.000 0.804 722 E CB -0.058 29.665 29.700 0.038 0.000 0.740 722 E HN 0.826 nan 8.360 nan 0.000 0.454 723 T N -1.214 113.387 114.554 0.079 0.000 2.759 723 T HA -0.217 4.330 4.350 0.328 0.000 0.269 723 T C 1.726 176.418 174.700 -0.013 0.000 1.042 723 T CA 1.221 63.340 62.100 0.032 0.000 1.140 723 T CB -0.463 68.423 68.868 0.030 0.000 0.864 723 T HN 0.161 nan 8.240 nan 0.000 0.455 724 Y N 0.690 120.972 120.300 -0.031 0.000 2.201 724 Y HA 0.199 4.961 4.550 0.352 0.000 0.292 724 Y C 2.872 178.751 175.900 -0.036 0.000 1.119 724 Y CA 0.729 58.804 58.100 -0.041 0.000 1.127 724 Y CB -0.340 38.082 38.460 -0.064 0.000 1.019 724 Y HN 0.013 nan 8.280 nan 0.000 0.514 725 M N 0.163 119.840 119.600 0.129 0.000 2.106 725 M HA -0.266 4.410 4.480 0.328 0.000 0.259 725 M C 2.122 178.445 176.300 0.039 0.000 1.068 725 M CA 1.629 56.960 55.300 0.053 0.000 1.100 725 M CB -1.097 31.525 32.600 0.036 0.000 1.351 725 M HN 0.391 nan 8.290 nan 0.000 0.404 726 E N -0.197 120.032 120.200 0.049 0.000 2.028 726 E HA -0.113 4.434 4.350 0.328 0.000 0.191 726 E C 1.981 178.601 176.600 0.034 0.000 0.988 726 E CA 1.238 57.671 56.400 0.054 0.000 0.799 726 E CB 0.088 29.816 29.700 0.047 0.000 0.755 726 E HN 0.426 nan 8.360 nan 0.000 0.447 727 A N 1.050 123.865 122.820 -0.009 0.000 1.972 727 A HA -0.104 4.413 4.320 0.328 0.000 0.219 727 A C 2.110 179.692 177.584 -0.003 0.000 1.169 727 A CA 0.930 52.947 52.037 -0.033 0.000 0.635 727 A CB -0.449 18.478 19.000 -0.121 0.000 0.810 727 A HN 0.302 nan 8.150 nan 0.000 0.446 728 L N -0.247 120.986 121.223 0.016 0.000 2.599 728 L HA 0.087 4.624 4.340 0.328 0.000 0.230 728 L C 0.158 177.110 176.870 0.136 0.000 1.141 728 L CA -0.099 54.784 54.840 0.073 0.000 0.877 728 L CB -0.072 42.026 42.059 0.066 0.000 1.009 728 L HN 0.172 nan 8.230 nan 0.000 0.447 729 S N -1.672 114.044 115.700 0.027 0.000 2.607 729 S HA 0.462 5.129 4.470 0.328 0.000 0.303 729 S C -0.450 174.047 174.600 -0.172 0.000 1.086 729 S CA -0.543 57.574 58.200 -0.138 0.000 0.995 729 S CB 1.116 64.074 63.200 -0.404 0.000 1.084 729 S HN 0.272 nan 8.310 nan 0.000 0.507 730 H N 0.261 119.371 119.070 0.067 0.000 2.827 730 H HA -0.135 4.618 4.556 0.329 0.000 0.330 730 H C -0.678 174.653 175.328 0.006 0.000 1.236 730 H CA 0.772 56.834 56.048 0.024 0.000 1.165 730 H CB -2.209 27.575 29.762 0.037 0.000 1.532 730 H HN 0.618 nan 8.280 nan 0.000 0.434 731 L N -2.307 118.921 121.223 0.009 0.000 2.327 731 L HA 0.637 5.173 4.340 0.328 0.000 0.258 731 L C 0.085 176.930 176.870 -0.042 0.000 1.024 731 L CA -1.319 53.526 54.840 0.009 0.000 0.825 731 L CB 2.076 44.139 42.059 0.006 0.000 1.386 731 L HN 0.012 nan 8.230 nan 0.000 0.417 732 Q N 1.168 120.980 119.800 0.021 0.000 2.314 732 Q HA 0.250 4.786 4.340 0.328 0.000 0.258 732 Q C -0.134 175.855 176.000 -0.019 0.000 0.954 732 Q CA -0.294 55.511 55.803 0.003 0.000 0.890 732 Q CB 1.497 30.294 28.738 0.098 0.000 1.210 732 Q HN 0.691 nan 8.270 nan 0.000 0.410 733 S N 2.741 118.393 115.700 -0.081 0.000 2.533 733 S HA 0.066 4.732 4.470 0.328 0.000 0.282 733 S C -1.706 172.891 174.600 -0.004 0.000 1.304 733 S CA -1.333 56.821 58.200 -0.076 0.000 1.063 733 S CB 0.478 63.622 63.200 -0.094 0.000 0.881 733 S HN 0.390 nan 8.310 nan 0.000 0.493 734 P HA -0.052 nan 4.420 nan 0.000 0.218 734 P C 1.120 178.444 177.300 0.039 0.000 1.148 734 P CA 0.974 64.046 63.100 -0.046 0.000 0.822 734 P CB 0.057 31.464 31.700 -0.488 0.000 0.784 735 L N -1.730 119.519 121.223 0.042 0.000 2.275 735 L HA -0.041 4.496 4.340 0.328 0.000 0.215 735 L C 0.468 177.515 176.870 0.295 0.000 1.119 735 L CA 1.008 55.954 54.840 0.176 0.000 0.790 735 L CB -0.400 41.728 42.059 0.115 0.000 0.919 735 L HN 0.024 nan 8.230 nan 0.000 0.443 736 D N -1.701 118.763 120.400 0.106 0.000 2.251 736 D HA 0.062 4.899 4.640 0.328 0.000 0.210 736 D C -2.251 173.966 176.300 -0.138 0.000 1.304 736 D CA -1.049 52.996 54.000 0.074 0.000 0.912 736 D CB 1.152 42.014 40.800 0.104 0.000 1.553 736 D HN -0.280 nan 8.370 nan 0.000 0.526 737 P HA -0.088 nan 4.420 nan 0.000 0.231 737 P C 0.977 178.251 177.300 -0.044 0.000 1.158 737 P CA 0.665 63.577 63.100 -0.314 0.000 0.763 737 P CB 0.178 31.569 31.700 -0.515 0.000 0.805 738 S N -2.457 113.235 115.700 -0.013 0.000 2.528 738 S HA 0.048 4.715 4.470 0.328 0.000 0.219 738 S C 0.921 175.507 174.600 -0.023 0.000 0.985 738 S CA 0.012 58.251 58.200 0.066 0.000 0.914 738 S CB -1.115 62.130 63.200 0.075 0.000 0.776 738 S HN -0.012 nan 8.310 nan 0.000 0.526 739 T N 3.724 118.247 114.554 -0.052 0.000 2.749 739 T HA 0.456 5.002 4.350 0.328 0.000 0.295 739 T C -0.302 174.315 174.700 -0.138 0.000 0.936 739 T CA -0.361 61.686 62.100 -0.088 0.000 1.060 739 T CB 0.632 69.461 68.868 -0.064 0.000 0.904 739 T HN 0.276 nan 8.240 nan 0.000 0.500 740 L N 4.514 125.631 121.223 -0.176 0.000 2.276 740 L HA 0.441 4.978 4.340 0.328 0.000 0.286 740 L C -0.038 176.704 176.870 -0.213 0.000 1.061 740 L CA -0.690 54.029 54.840 -0.201 0.000 0.807 740 L CB 0.704 42.624 42.059 -0.231 0.000 1.177 740 L HN 0.427 nan 8.230 nan 0.000 0.429 741 L N 4.109 125.153 121.223 -0.299 0.000 2.287 741 L HA 0.269 4.806 4.340 0.328 0.000 0.280 741 L C 0.738 177.421 176.870 -0.312 0.000 1.055 741 L CA -0.404 54.084 54.840 -0.586 0.000 0.863 741 L CB 0.941 42.303 42.059 -1.161 0.000 1.245 741 L HN 0.674 nan 8.230 nan 0.000 0.432 742 E N 2.483 122.643 120.200 -0.067 0.000 2.332 742 E HA 0.044 4.590 4.350 0.328 0.000 0.257 742 E C 0.197 176.771 176.600 -0.044 0.000 0.786 742 E CA 0.375 56.798 56.400 0.037 0.000 1.380 742 E CB 0.181 29.945 29.700 0.108 0.000 1.300 742 E HN 0.485 nan 8.360 nan 0.000 0.536 743 E N 2.041 122.270 120.200 0.047 0.000 2.200 743 E HA 0.212 4.759 4.350 0.328 0.000 0.283 743 E C 0.085 176.694 176.600 0.014 0.000 1.015 743 E CA -0.470 55.919 56.400 -0.018 0.000 0.819 743 E CB 1.571 31.274 29.700 0.005 0.000 1.081 743 E HN -0.040 nan 8.360 nan 0.000 0.397 744 V N 3.020 122.850 119.914 -0.139 0.000 2.585 744 V HA -0.065 4.252 4.120 0.328 0.000 0.296 744 V C -0.247 175.669 176.094 -0.298 0.000 1.035 744 V CA -0.327 61.665 62.300 -0.513 0.000 1.084 744 V CB 0.699 32.235 31.823 -0.479 0.000 0.953 744 V HN 0.936 nan 8.190 nan 0.000 0.483 745 C N 7.495 126.607 119.300 -0.313 0.000 2.146 745 C HA 0.424 5.081 4.460 0.328 0.000 0.338 745 C C 1.397 176.267 174.990 -0.200 0.000 1.074 745 C CA -0.502 58.409 59.018 -0.179 0.000 1.527 745 C CB -0.896 26.780 27.740 -0.108 0.000 1.915 745 C HN 0.866 nan 8.230 nan 0.000 0.453 746 V N 4.283 124.057 119.914 -0.233 0.000 2.343 746 V HA -0.123 4.193 4.120 0.328 0.000 0.247 746 V C 2.459 178.188 176.094 -0.609 0.000 1.051 746 V CA 1.792 63.874 62.300 -0.364 0.000 1.036 746 V CB -0.435 31.190 31.823 -0.330 0.000 0.654 746 V HN 0.747 nan 8.190 nan 0.000 0.451 747 E N 0.170 120.132 120.200 -0.396 0.000 2.209 747 E HA -0.234 4.312 4.350 0.328 0.000 0.196 747 E C 2.121 178.692 176.600 -0.048 0.000 0.993 747 E CA 1.178 57.427 56.400 -0.252 0.000 0.819 747 E CB -0.193 29.465 29.700 -0.070 0.000 0.745 747 E HN 0.702 nan 8.360 nan 0.000 0.477 748 Q N -0.586 119.193 119.800 -0.035 0.000 2.360 748 Q HA 0.073 4.609 4.340 0.328 0.000 0.202 748 Q C 0.248 176.364 176.000 0.193 0.000 0.915 748 Q CA -0.177 55.681 55.803 0.091 0.000 0.943 748 Q CB 0.486 29.282 28.738 0.098 0.000 1.064 748 Q HN 0.131 nan 8.270 nan 0.000 0.511 749 C N 0.203 119.592 119.300 0.148 0.000 2.466 749 C HA 0.615 5.272 4.460 0.328 0.000 0.379 749 C C 0.854 176.091 174.990 0.412 0.000 1.251 749 C CA -0.356 58.826 59.018 0.272 0.000 2.263 749 C CB 1.032 28.851 27.740 0.132 0.000 2.511 749 C HN 0.300 nan 8.230 nan 0.000 0.573 750 T N 0.365 115.147 114.554 0.380 0.000 2.630 750 T HA 0.748 5.295 4.350 0.328 0.000 0.300 750 T C -1.837 173.119 174.700 0.426 0.000 1.261 750 T CA -0.374 61.919 62.100 0.322 0.000 1.060 750 T CB 0.795 69.717 68.868 0.090 0.000 1.670 750 T HN 0.876 nan 8.240 nan 0.000 0.473 751 F N 0.103 120.114 119.950 0.101 0.000 2.668 751 F HA 0.739 5.473 4.527 0.346 0.000 0.309 751 F C -0.815 175.018 175.800 0.055 0.000 1.117 751 F CA -1.423 56.647 58.000 0.117 0.000 0.951 751 F CB 1.646 40.713 39.000 0.112 0.000 1.323 751 F HN 0.627 nan 8.300 nan 0.000 0.451 752 M N 3.055 122.674 119.600 0.032 0.000 2.156 752 M HA 0.183 4.859 4.480 0.328 0.000 0.345 752 M C -0.226 176.021 176.300 -0.088 0.000 1.398 752 M CA -0.015 55.217 55.300 -0.113 0.000 1.148 752 M CB 0.220 32.833 32.600 0.021 0.000 1.663 752 M HN 0.717 nan 8.290 nan 0.000 0.464 753 D N 3.823 124.004 120.400 -0.365 0.000 2.885 753 D HA 0.138 4.975 4.640 0.328 0.000 0.234 753 D C -1.034 175.272 176.300 0.010 0.000 1.129 753 D CA 0.241 54.166 54.000 -0.126 0.000 0.991 753 D CB 0.020 40.662 40.800 -0.263 0.000 1.137 753 D HN 0.594 nan 8.370 nan 0.000 0.459 754 S N -0.348 115.391 115.700 0.065 0.000 2.578 754 S HA 0.454 5.121 4.470 0.328 0.000 0.272 754 S C 0.326 174.967 174.600 0.069 0.000 1.145 754 S CA -0.731 57.499 58.200 0.050 0.000 0.835 754 S CB 1.648 64.854 63.200 0.010 0.000 1.104 754 S HN 0.175 nan 8.310 nan 0.000 0.458 755 K N -0.056 120.375 120.400 0.053 0.000 1.902 755 K HA -0.237 4.279 4.320 0.328 0.000 0.144 755 K C 0.792 177.429 176.600 0.062 0.000 0.912 755 K CA 1.919 58.237 56.287 0.051 0.000 0.315 755 K CB -1.277 31.251 32.500 0.046 0.000 0.723 755 K HN 0.608 nan 8.250 nan 0.000 0.785 756 M N 1.903 121.543 119.600 0.065 0.000 2.563 756 M HA 0.073 4.750 4.480 0.328 0.000 0.231 756 M C -0.450 175.911 176.300 0.101 0.000 1.136 756 M CA 0.842 56.181 55.300 0.064 0.000 1.026 756 M CB -0.413 32.210 32.600 0.039 0.000 1.597 756 M HN 0.310 nan 8.290 nan 0.000 0.495 757 K N 0.282 120.770 120.400 0.147 0.000 3.490 757 K HA -0.142 4.375 4.320 0.328 0.000 0.273 757 K C -2.495 174.258 176.600 0.256 0.000 0.916 757 K CA 0.290 56.728 56.287 0.251 0.000 0.718 757 K CB -1.914 30.724 32.500 0.229 0.000 1.477 757 K HN 0.312 nan 8.250 nan 0.000 0.452 758 P HA 0.079 nan 4.420 nan 0.000 0.269 758 P C 0.481 177.977 177.300 0.328 0.000 1.215 758 P CA -0.066 63.170 63.100 0.226 0.000 0.780 758 P CB 0.679 32.480 31.700 0.167 0.000 0.898 759 L N 1.584 123.026 121.223 0.365 0.000 2.325 759 L HA 0.415 4.952 4.340 0.328 0.000 0.279 759 L C 0.342 177.451 176.870 0.398 0.000 1.054 759 L CA -0.544 54.532 54.840 0.394 0.000 0.804 759 L CB 1.310 43.586 42.059 0.362 0.000 1.200 759 L HN 0.464 nan 8.230 nan 0.000 0.436 760 W N 5.526 126.931 121.300 0.175 0.000 2.318 760 W HA 0.430 5.284 4.660 0.323 0.000 0.315 760 W C -1.647 174.931 176.519 0.098 0.000 1.033 760 W CA -0.598 56.821 57.345 0.123 0.000 1.275 760 W CB 1.377 30.892 29.460 0.091 0.000 1.250 760 W HN 0.251 nan 8.180 nan 0.000 0.421 761 I N 7.848 128.411 120.570 -0.011 0.000 2.382 761 I HA 0.262 4.629 4.170 0.328 0.000 0.286 761 I C 0.163 176.181 176.117 -0.165 0.000 1.002 761 I CA -1.010 60.265 61.300 -0.041 0.000 1.135 761 I CB 1.289 39.293 38.000 0.007 0.000 1.288 761 I HN 0.265 nan 8.210 nan 0.000 0.448 762 M N 5.821 125.316 119.600 -0.175 0.000 2.409 762 M HA 0.477 5.154 4.480 0.328 0.000 0.329 762 M C -0.836 175.248 176.300 -0.359 0.000 1.180 762 M CA -0.485 54.726 55.300 -0.148 0.000 1.053 762 M CB 1.515 34.109 32.600 -0.010 0.000 1.586 762 M HN 0.310 nan 8.290 nan 0.000 0.461 763 Y N -0.693 119.576 120.300 -0.051 0.000 2.581 763 Y HA 0.593 5.342 4.550 0.332 0.000 0.345 763 Y C 0.132 176.011 175.900 -0.035 0.000 1.036 763 Y CA -0.572 57.498 58.100 -0.050 0.000 1.042 763 Y CB 2.208 40.630 38.460 -0.063 0.000 1.289 763 Y HN 0.741 nan 8.280 nan 0.000 0.471 764 S N 0.018 115.802 115.700 0.139 0.000 2.607 764 S HA 0.805 5.471 4.470 0.328 0.000 0.273 764 S C -1.265 173.380 174.600 0.076 0.000 1.148 764 S CA -0.814 57.435 58.200 0.082 0.000 0.833 764 S CB 1.881 65.107 63.200 0.044 0.000 1.130 764 S HN 0.651 nan 8.310 nan 0.000 0.470 765 S N 0.152 115.881 115.700 0.048 0.000 2.677 765 S HA 0.394 5.060 4.470 0.328 0.000 0.283 765 S C 0.273 174.888 174.600 0.026 0.000 1.159 765 S CA -0.541 57.684 58.200 0.041 0.000 1.001 765 S CB 1.325 64.537 63.200 0.019 0.000 1.032 765 S HN 0.748 nan 8.310 nan 0.000 0.487 766 E N 2.612 122.830 120.200 0.031 0.000 2.049 766 E HA -0.184 4.363 4.350 0.328 0.000 0.198 766 E C 1.547 178.154 176.600 0.011 0.000 1.007 766 E CA 1.652 58.065 56.400 0.021 0.000 0.809 766 E CB -0.061 29.654 29.700 0.025 0.000 0.749 766 E HN 0.747 nan 8.360 nan 0.000 0.450 767 E N 0.249 120.455 120.200 0.011 0.000 2.204 767 E HA -0.109 4.438 4.350 0.328 0.000 0.195 767 E C 1.540 178.131 176.600 -0.014 0.000 0.990 767 E CA 1.295 57.696 56.400 0.002 0.000 0.821 767 E CB -0.156 29.546 29.700 0.002 0.000 0.750 767 E HN 0.264 nan 8.360 nan 0.000 0.477 768 A N -0.634 122.172 122.820 -0.024 0.000 2.195 768 A HA 0.488 5.004 4.320 0.328 0.000 0.210 768 A C 1.438 178.994 177.584 -0.047 0.000 1.165 768 A CA 0.848 52.859 52.037 -0.044 0.000 0.806 768 A CB -0.548 18.420 19.000 -0.053 0.000 0.847 768 A HN 0.424 nan 8.150 nan 0.000 0.482 769 G N -0.446 108.334 108.800 -0.034 0.000 2.564 769 G HA2 -0.316 3.841 3.960 0.328 0.000 0.273 769 G HA3 -0.316 3.841 3.960 0.328 0.000 0.273 769 G C 1.070 175.952 174.900 -0.031 0.000 1.242 769 G CA 0.375 45.447 45.100 -0.046 0.000 0.951 769 G HN 0.654 nan 8.290 nan 0.000 0.564 770 S N 0.110 115.786 115.700 -0.040 0.000 2.428 770 S HA -0.120 4.546 4.470 0.328 0.000 0.240 770 S C 2.638 177.249 174.600 0.019 0.000 1.036 770 S CA 2.400 60.600 58.200 -0.000 0.000 1.009 770 S CB -0.521 62.676 63.200 -0.004 0.000 0.803 770 S HN 1.699 nan 8.310 nan 0.000 0.486 771 A N 0.529 123.348 122.820 -0.002 0.000 2.123 771 A HA 0.316 4.832 4.320 0.328 0.000 0.214 771 A C 2.096 179.680 177.584 0.000 0.000 1.152 771 A CA 1.001 53.047 52.037 0.014 0.000 0.728 771 A CB -0.605 18.400 19.000 0.009 0.000 0.814 771 A HN 0.503 nan 8.150 nan 0.000 0.464 772 G N -0.203 108.594 108.800 -0.005 0.000 2.650 772 G HA2 -0.045 4.112 3.960 0.328 0.000 0.214 772 G HA3 -0.045 4.112 3.960 0.328 0.000 0.214 772 G C 0.278 175.195 174.900 0.027 0.000 1.136 772 G CA -0.184 44.916 45.100 -0.000 0.000 0.789 772 G HN 0.410 nan 8.290 nan 0.000 0.536 773 N N 1.020 119.741 118.700 0.035 0.000 2.482 773 N HA 0.359 5.296 4.740 0.328 0.000 0.242 773 N C -0.354 175.179 175.510 0.038 0.000 1.100 773 N CA 0.054 53.132 53.050 0.047 0.000 0.946 773 N CB 1.536 40.054 38.487 0.052 0.000 1.227 773 N HN 0.167 nan 8.380 nan 0.000 0.508 774 V N -1.267 118.674 119.914 0.045 0.000 3.049 774 V HA 1.003 5.319 4.120 0.328 0.000 0.309 774 V C 0.265 176.372 176.094 0.021 0.000 1.148 774 V CA -1.054 61.254 62.300 0.013 0.000 0.990 774 V CB 1.816 33.636 31.823 -0.005 0.000 1.039 774 V HN 0.423 nan 8.190 nan 0.000 0.430 775 G N 1.888 110.638 108.800 -0.084 0.000 2.574 775 G HA2 0.851 5.008 3.960 0.328 0.000 0.299 775 G HA3 0.851 5.008 3.960 0.328 0.000 0.299 775 G C -1.063 173.727 174.900 -0.183 0.000 1.298 775 G CA -0.720 44.273 45.100 -0.179 0.000 0.952 775 G HN 1.556 nan 8.290 nan 0.000 0.477 776 I N -1.815 118.672 120.570 -0.139 0.000 2.785 776 I HA 0.733 5.100 4.170 0.328 0.000 0.302 776 I C -1.208 174.851 176.117 -0.096 0.000 1.069 776 I CA -1.454 59.798 61.300 -0.080 0.000 1.045 776 I CB 2.572 40.597 38.000 0.043 0.000 1.236 776 I HN 0.272 nan 8.210 nan 0.000 0.429 777 I N 3.987 124.543 120.570 -0.023 0.000 2.378 777 I HA 0.376 4.742 4.170 0.328 0.000 0.291 777 I C -1.103 175.113 176.117 0.166 0.000 0.992 777 I CA -0.518 60.823 61.300 0.068 0.000 1.154 777 I CB 1.864 39.901 38.000 0.062 0.000 1.315 777 I HN 0.482 nan 8.210 nan 0.000 0.448 778 F N 7.692 127.685 119.950 0.071 0.000 2.427 778 F HA 0.570 5.294 4.527 0.327 0.000 0.346 778 F C -0.393 175.458 175.800 0.086 0.000 1.120 778 F CA -0.424 57.616 58.000 0.068 0.000 1.033 778 F CB 0.887 39.931 39.000 0.074 0.000 1.126 778 F HN 0.295 nan 8.300 nan 0.000 0.462 779 K N 4.621 124.669 120.400 -0.587 0.000 2.427 779 K HA 0.418 4.935 4.320 0.328 0.000 0.252 779 K C -1.863 174.357 176.600 -0.633 0.000 0.931 779 K CA -0.887 55.153 56.287 -0.412 0.000 0.793 779 K CB 1.498 33.909 32.500 -0.147 0.000 1.211 779 K HN 0.736 nan 8.250 nan 0.000 0.426 780 N N 2.018 120.499 118.700 -0.366 0.000 2.480 780 N HA 0.500 5.437 4.740 0.328 0.000 0.289 780 N C -0.177 175.282 175.510 -0.086 0.000 1.073 780 N CA 0.352 53.255 53.050 -0.245 0.000 0.885 780 N CB 1.935 40.348 38.487 -0.123 0.000 1.421 780 N HN 0.680 nan 8.380 nan 0.000 0.503 781 G N 2.068 110.824 108.800 -0.074 0.000 2.813 781 G HA2 -0.117 4.040 3.960 0.328 0.000 0.194 781 G HA3 -0.117 4.040 3.960 0.328 0.000 0.194 781 G C -0.973 173.909 174.900 -0.029 0.000 1.010 781 G CA -0.441 44.640 45.100 -0.032 0.000 0.771 781 G HN 0.567 nan 8.290 nan 0.000 0.485 782 D N 1.176 121.550 120.400 -0.043 0.000 2.248 782 D HA 0.457 5.294 4.640 0.328 0.000 0.246 782 D C -1.123 175.155 176.300 -0.036 0.000 1.027 782 D CA -0.352 53.631 54.000 -0.028 0.000 0.853 782 D CB 1.919 42.711 40.800 -0.014 0.000 1.243 782 D HN 0.063 nan 8.370 nan 0.000 0.462 783 D N 1.875 122.260 120.400 -0.026 0.000 2.382 783 D HA 0.012 4.849 4.640 0.328 0.000 0.259 783 D C 0.764 177.050 176.300 -0.023 0.000 1.224 783 D CA 0.131 54.117 54.000 -0.023 0.000 0.894 783 D CB 0.658 41.443 40.800 -0.026 0.000 1.127 783 D HN 0.302 nan 8.370 nan 0.000 0.487 784 L N 3.855 125.070 121.223 -0.015 0.000 2.592 784 L HA 0.138 4.675 4.340 0.328 0.000 0.227 784 L C 2.304 179.173 176.870 -0.001 0.000 1.127 784 L CA -0.121 54.719 54.840 0.000 0.000 0.884 784 L CB 0.094 42.156 42.059 0.004 0.000 1.065 784 L HN 0.328 nan 8.230 nan 0.000 0.457 785 R N 0.099 120.588 120.500 -0.018 0.000 2.083 785 R HA -0.258 4.279 4.340 0.328 0.000 0.237 785 R C 2.152 178.401 176.300 -0.086 0.000 1.137 785 R CA 1.865 57.943 56.100 -0.037 0.000 0.951 785 R CB -0.267 30.008 30.300 -0.041 0.000 0.851 785 R HN 0.310 nan 8.270 nan 0.000 0.434 786 Q N 0.778 120.498 119.800 -0.134 0.000 2.084 786 Q HA -0.189 4.348 4.340 0.328 0.000 0.202 786 Q C 1.296 177.191 176.000 -0.175 0.000 0.978 786 Q CA 1.924 57.576 55.803 -0.252 0.000 0.844 786 Q CB 0.065 28.587 28.738 -0.361 0.000 0.898 786 Q HN 0.231 nan 8.270 nan 0.000 0.426 787 D N 0.019 120.397 120.400 -0.037 0.000 2.117 787 D HA -0.203 4.633 4.640 0.328 0.000 0.197 787 D C 1.780 178.104 176.300 0.040 0.000 0.987 787 D CA 1.377 55.436 54.000 0.098 0.000 0.829 787 D CB -0.270 40.638 40.800 0.179 0.000 0.961 787 D HN 0.392 nan 8.370 nan 0.000 0.460 788 M N 0.048 119.651 119.600 0.005 0.000 2.086 788 M HA -0.169 4.508 4.480 0.328 0.000 0.261 788 M C 2.094 178.352 176.300 -0.070 0.000 1.067 788 M CA 1.092 56.385 55.300 -0.012 0.000 1.116 788 M CB -0.052 32.557 32.600 0.016 0.000 1.348 788 M HN 0.031 nan 8.290 nan 0.000 0.407 789 L N 0.384 121.550 121.223 -0.095 0.000 1.989 789 L HA -0.195 4.342 4.340 0.328 0.000 0.211 789 L C 2.168 178.991 176.870 -0.079 0.000 1.071 789 L CA 2.333 57.105 54.840 -0.113 0.000 0.749 789 L CB -1.167 40.828 42.059 -0.107 0.000 0.890 789 L HN 0.322 nan 8.230 nan 0.000 0.431 790 T N -0.109 114.391 114.554 -0.091 0.000 2.684 790 T HA -0.218 4.329 4.350 0.328 0.000 0.267 790 T C 1.953 176.504 174.700 -0.249 0.000 1.036 790 T CA 2.051 64.046 62.100 -0.175 0.000 1.148 790 T CB -0.401 68.175 68.868 -0.487 0.000 0.863 790 T HN 0.309 nan 8.240 nan 0.000 0.436 791 L N 0.583 121.676 121.223 -0.217 0.000 2.093 791 L HA -0.104 4.433 4.340 0.328 0.000 0.208 791 L C 2.897 179.692 176.870 -0.125 0.000 1.085 791 L CA 1.260 56.008 54.840 -0.153 0.000 0.755 791 L CB -0.503 41.468 42.059 -0.148 0.000 0.904 791 L HN 0.307 nan 8.230 nan 0.000 0.435 792 Q N -0.978 118.747 119.800 -0.125 0.000 2.167 792 Q HA -0.166 4.371 4.340 0.328 0.000 0.202 792 Q C 2.279 178.214 176.000 -0.107 0.000 0.970 792 Q CA 1.113 56.832 55.803 -0.139 0.000 0.855 792 Q CB 0.005 28.637 28.738 -0.177 0.000 0.911 792 Q HN 0.455 nan 8.270 nan 0.000 0.438 793 M N -0.108 119.460 119.600 -0.054 0.000 2.200 793 M HA -0.073 4.604 4.480 0.328 0.000 0.265 793 M C 2.137 178.454 176.300 0.027 0.000 1.066 793 M CA 1.204 56.540 55.300 0.060 0.000 1.127 793 M CB -0.570 32.155 32.600 0.208 0.000 1.379 793 M HN 0.230 nan 8.290 nan 0.000 0.420 794 I N 0.136 120.680 120.570 -0.044 0.000 2.179 794 I HA -0.341 4.026 4.170 0.328 0.000 0.242 794 I C 2.662 178.700 176.117 -0.131 0.000 1.088 794 I CA 1.421 62.667 61.300 -0.090 0.000 1.357 794 I CB -0.494 37.492 38.000 -0.023 0.000 1.051 794 I HN 0.407 nan 8.210 nan 0.000 0.409 795 Q N 0.907 120.649 119.800 -0.097 0.000 2.124 795 Q HA -0.256 4.281 4.340 0.328 0.000 0.202 795 Q C 2.265 178.178 176.000 -0.146 0.000 0.977 795 Q CA 1.614 57.358 55.803 -0.100 0.000 0.850 795 Q CB -0.095 28.591 28.738 -0.087 0.000 0.901 795 Q HN 0.431 nan 8.270 nan 0.000 0.429 796 L N 0.341 121.470 121.223 -0.157 0.000 2.017 796 L HA -0.144 4.392 4.340 0.328 0.000 0.208 796 L C 2.140 178.841 176.870 -0.281 0.000 1.073 796 L CA 1.814 56.533 54.840 -0.203 0.000 0.745 796 L CB -0.457 41.468 42.059 -0.224 0.000 0.894 796 L HN 0.346 nan 8.230 nan 0.000 0.432 797 M N -0.682 118.722 119.600 -0.328 0.000 2.082 797 M HA -0.269 4.408 4.480 0.328 0.000 0.258 797 M C 2.047 177.690 176.300 -1.094 0.000 1.069 797 M CA 2.273 57.065 55.300 -0.847 0.000 1.102 797 M CB -0.806 31.113 32.600 -1.134 0.000 1.336 797 M HN 0.326 nan 8.290 nan 0.000 0.404 798 D N 0.216 120.274 120.400 -0.570 0.000 2.116 798 D HA -0.144 4.692 4.640 0.328 0.000 0.193 798 D C 1.775 178.050 176.300 -0.041 0.000 0.998 798 D CA 1.387 55.342 54.000 -0.075 0.000 0.836 798 D CB 0.011 40.821 40.800 0.016 0.000 0.951 798 D HN 0.090 nan 8.370 nan 0.000 0.449 799 V N 0.407 120.246 119.914 -0.125 0.000 2.255 799 V HA -0.268 4.049 4.120 0.328 0.000 0.247 799 V C 2.674 178.705 176.094 -0.105 0.000 1.051 799 V CA 1.698 63.936 62.300 -0.102 0.000 1.018 799 V CB -0.600 31.143 31.823 -0.135 0.000 0.641 799 V HN 0.312 nan 8.190 nan 0.000 0.445 800 L N -1.738 119.361 121.223 -0.208 0.000 2.046 800 L HA -0.175 4.362 4.340 0.328 0.000 0.208 800 L C 2.590 179.481 176.870 0.035 0.000 1.077 800 L CA 1.616 56.340 54.840 -0.193 0.000 0.747 800 L CB -0.694 41.166 42.059 -0.330 0.000 0.896 800 L HN 0.390 nan 8.230 nan 0.000 0.432 801 W N 1.111 122.410 121.300 -0.001 0.000 2.335 801 W HA -0.154 4.702 4.660 0.327 0.000 0.311 801 W C 2.563 179.076 176.519 -0.010 0.000 1.213 801 W CA 0.926 58.271 57.345 0.001 0.000 1.274 801 W CB -0.828 28.624 29.460 -0.013 0.000 1.148 801 W HN 0.147 nan 8.180 nan 0.000 0.498 802 K N 0.141 120.667 120.400 0.211 0.000 2.097 802 K HA -0.176 4.341 4.320 0.328 0.000 0.206 802 K C 1.924 178.562 176.600 0.063 0.000 1.049 802 K CA 1.349 57.700 56.287 0.106 0.000 0.933 802 K CB -0.435 32.103 32.500 0.065 0.000 0.717 802 K HN 0.227 nan 8.250 nan 0.000 0.442 803 Q N 0.578 120.408 119.800 0.050 0.000 2.368 803 Q HA -0.141 4.396 4.340 0.328 0.000 0.210 803 Q C 0.475 176.511 176.000 0.061 0.000 0.982 803 Q CA 0.944 56.768 55.803 0.034 0.000 0.884 803 Q CB 0.159 28.907 28.738 0.016 0.000 0.933 803 Q HN 0.337 nan 8.270 nan 0.000 0.460 804 E N -0.672 119.584 120.200 0.093 0.000 2.496 804 E HA 0.168 4.715 4.350 0.328 0.000 0.202 804 E C 0.500 177.139 176.600 0.064 0.000 1.021 804 E CA 0.235 56.687 56.400 0.086 0.000 1.015 804 E CB 0.822 30.591 29.700 0.114 0.000 1.102 804 E HN 0.377 nan 8.360 nan 0.000 0.452 805 G N 1.944 110.776 108.800 0.052 0.000 2.198 805 G HA2 -0.287 3.870 3.960 0.328 0.000 0.260 805 G HA3 -0.287 3.870 3.960 0.328 0.000 0.260 805 G C -0.136 174.781 174.900 0.028 0.000 1.025 805 G CA 0.417 45.539 45.100 0.037 0.000 0.769 805 G HN 0.286 nan 8.290 nan 0.000 0.507 806 L N 0.915 122.163 121.223 0.041 0.000 2.295 806 L HA 0.683 5.220 4.340 0.328 0.000 0.281 806 L C -0.685 176.187 176.870 0.004 0.000 1.018 806 L CA -1.239 53.593 54.840 -0.013 0.000 0.841 806 L CB 1.613 43.637 42.059 -0.059 0.000 1.218 806 L HN 0.097 nan 8.230 nan 0.000 0.424 807 D N 4.699 125.074 120.400 -0.042 0.000 2.412 807 D HA 0.235 5.072 4.640 0.328 0.000 0.224 807 D C 0.328 176.560 176.300 -0.112 0.000 1.093 807 D CA -0.059 53.922 54.000 -0.032 0.000 0.850 807 D CB 0.890 41.677 40.800 -0.021 0.000 1.046 807 D HN 0.591 nan 8.370 nan 0.000 0.507 808 L N 3.948 125.117 121.223 -0.090 0.000 2.685 808 L HA 0.216 4.753 4.340 0.328 0.000 0.233 808 L C 0.469 177.314 176.870 -0.041 0.000 1.173 808 L CA -0.359 54.386 54.840 -0.158 0.000 0.961 808 L CB -0.108 41.770 42.059 -0.301 0.000 1.217 808 L HN 0.248 nan 8.230 nan 0.000 0.478 809 R N -0.349 120.135 120.500 -0.026 0.000 3.336 809 R HA -0.147 4.390 4.340 0.328 0.000 0.260 809 R C -0.108 176.261 176.300 0.115 0.000 1.032 809 R CA 0.689 56.789 56.100 -0.000 0.000 0.693 809 R CB -1.956 28.336 30.300 -0.014 0.000 1.134 809 R HN 0.299 nan 8.270 nan 0.000 0.433 810 M N -0.228 119.455 119.600 0.138 0.000 2.202 810 M HA 0.162 4.838 4.480 0.328 0.000 0.316 810 M C 0.894 177.347 176.300 0.255 0.000 1.138 810 M CA 0.441 55.882 55.300 0.235 0.000 1.151 810 M CB 0.417 33.103 32.600 0.143 0.000 1.422 810 M HN -0.023 nan 8.290 nan 0.000 0.471 811 T N 3.240 118.027 114.554 0.388 0.000 3.250 811 T HA 0.359 4.906 4.350 0.328 0.000 0.391 811 T C -2.276 172.573 174.700 0.248 0.000 1.502 811 T CA -0.985 61.245 62.100 0.217 0.000 1.320 811 T CB 0.142 68.994 68.868 -0.026 0.000 1.102 811 T HN 0.361 nan 8.240 nan 0.000 0.610 812 P HA 0.188 nan 4.420 nan 0.000 0.231 812 P C -0.493 176.827 177.300 0.034 0.000 1.811 812 P CA -0.578 62.561 63.100 0.064 0.000 1.051 812 P CB -0.831 30.896 31.700 0.046 0.000 1.951 813 Y N -0.415 119.921 120.300 0.060 0.000 2.326 813 Y HA 0.587 5.334 4.550 0.328 0.000 0.333 813 Y C 0.894 176.842 175.900 0.081 0.000 1.240 813 Y CA -1.283 56.839 58.100 0.036 0.000 1.365 813 Y CB 0.050 38.497 38.460 -0.022 0.000 1.289 813 Y HN 0.213 nan 8.280 nan 0.000 0.548 814 G N 0.834 109.760 108.800 0.211 0.000 2.441 814 G HA2 0.315 4.472 3.960 0.328 0.000 0.243 814 G HA3 0.315 4.472 3.960 0.328 0.000 0.243 814 G C -1.207 173.810 174.900 0.196 0.000 1.281 814 G CA -0.261 44.935 45.100 0.161 0.000 0.854 814 G HN 1.095 nan 8.290 nan 0.000 0.560 815 C N 3.580 122.956 119.300 0.127 0.000 2.551 815 C HA 0.724 5.380 4.460 0.328 0.000 0.332 815 C C -1.099 173.961 174.990 0.116 0.000 1.139 815 C CA -0.911 58.189 59.018 0.136 0.000 1.328 815 C CB 0.513 28.328 27.740 0.124 0.000 1.903 815 C HN 0.809 nan 8.230 nan 0.000 0.459 816 L N 8.472 129.753 121.223 0.096 0.000 2.555 816 L HA 0.614 5.150 4.340 0.328 0.000 0.264 816 L C -2.575 174.311 176.870 0.026 0.000 0.972 816 L CA -1.249 53.642 54.840 0.085 0.000 0.876 816 L CB 1.955 44.052 42.059 0.064 0.000 1.216 816 L HN 0.499 nan 8.230 nan 0.000 0.415 817 P HA 0.316 nan 4.420 nan 0.000 0.268 817 P C 0.101 177.434 177.300 0.055 0.000 1.204 817 P CA -0.014 63.117 63.100 0.052 0.000 0.768 817 P CB 0.781 32.539 31.700 0.096 0.000 0.842 818 T N -0.437 114.130 114.554 0.022 0.000 2.954 818 T HA 0.480 5.027 4.350 0.328 0.000 0.252 818 T C 0.714 175.535 174.700 0.200 0.000 0.983 818 T CA 0.275 62.407 62.100 0.054 0.000 0.941 818 T CB 0.106 68.871 68.868 -0.173 0.000 1.141 818 T HN 0.490 nan 8.240 nan 0.000 0.500 819 G N 0.529 109.396 108.800 0.112 0.000 2.634 819 G HA2 0.433 4.590 3.960 0.328 0.000 0.309 819 G HA3 0.433 4.590 3.960 0.328 0.000 0.309 819 G C -1.989 172.843 174.900 -0.112 0.000 1.299 819 G CA -0.616 44.533 45.100 0.082 0.000 0.798 819 G HN 0.026 nan 8.290 nan 0.000 0.490 820 D N 0.575 120.759 120.400 -0.359 0.000 2.356 820 D HA 0.142 4.979 4.640 0.328 0.000 0.272 820 D C 1.035 177.151 176.300 -0.306 0.000 1.337 820 D CA 0.286 53.829 54.000 -0.761 0.000 0.970 820 D CB -0.171 40.221 40.800 -0.680 0.000 1.092 820 D HN 0.513 nan 8.370 nan 0.000 0.516 821 R N 1.873 122.246 120.500 -0.211 0.000 3.525 821 R HA -0.158 4.379 4.340 0.328 0.000 0.276 821 R C -0.529 175.694 176.300 -0.128 0.000 1.116 821 R CA 0.969 57.001 56.100 -0.114 0.000 0.745 821 R CB -1.970 28.277 30.300 -0.088 0.000 1.185 821 R HN 0.411 nan 8.270 nan 0.000 0.454 822 T N -1.195 113.281 114.554 -0.131 0.000 2.916 822 T HA 0.735 5.282 4.350 0.328 0.000 0.298 822 T C 0.183 174.795 174.700 -0.148 0.000 1.031 822 T CA -0.109 61.875 62.100 -0.193 0.000 0.993 822 T CB 2.339 71.148 68.868 -0.097 0.000 1.045 822 T HN 0.430 nan 8.240 nan 0.000 0.454 823 G N 1.235 109.897 108.800 -0.230 0.000 2.428 823 G HA2 0.605 4.761 3.960 0.328 0.000 0.305 823 G HA3 0.605 4.761 3.960 0.328 0.000 0.305 823 G C -2.308 172.518 174.900 -0.123 0.000 1.260 823 G CA -0.772 44.251 45.100 -0.129 0.000 0.853 823 G HN 0.705 nan 8.290 nan 0.000 0.480 824 L N -0.189 121.012 121.223 -0.038 0.000 2.341 824 L HA 0.731 5.267 4.340 0.328 0.000 0.267 824 L C -0.936 175.969 176.870 0.057 0.000 1.009 824 L CA -0.906 53.948 54.840 0.022 0.000 0.819 824 L CB 2.239 44.311 42.059 0.022 0.000 1.323 824 L HN 0.386 nan 8.230 nan 0.000 0.425 825 I N 0.930 121.548 120.570 0.081 0.000 2.545 825 I HA 0.232 4.599 4.170 0.328 0.000 0.292 825 I C -0.075 176.096 176.117 0.091 0.000 1.040 825 I CA -0.344 61.039 61.300 0.139 0.000 1.068 825 I CB 2.180 40.276 38.000 0.161 0.000 1.251 825 I HN 0.552 nan 8.210 nan 0.000 0.424 826 E N 4.988 125.280 120.200 0.153 0.000 2.316 826 E HA 0.241 4.788 4.350 0.328 0.000 0.275 826 E C -1.021 175.540 176.600 -0.064 0.000 1.029 826 E CA -0.459 55.980 56.400 0.065 0.000 0.871 826 E CB 1.097 30.884 29.700 0.144 0.000 1.022 826 E HN 0.363 nan 8.360 nan 0.000 0.418 827 V N 5.264 125.072 119.914 -0.176 0.000 2.508 827 V HA 0.023 4.340 4.120 0.328 0.000 0.281 827 V C -0.003 175.987 176.094 -0.174 0.000 1.041 827 V CA -0.294 61.828 62.300 -0.297 0.000 1.016 827 V CB 1.316 32.772 31.823 -0.612 0.000 0.984 827 V HN 0.468 nan 8.190 nan 0.000 0.478 828 V N 7.751 127.578 119.914 -0.145 0.000 2.334 828 V HA 0.312 4.629 4.120 0.328 0.000 0.267 828 V C 0.281 176.419 176.094 0.073 0.000 1.040 828 V CA -0.284 61.967 62.300 -0.082 0.000 0.866 828 V CB 0.774 32.425 31.823 -0.288 0.000 1.019 828 V HN 0.605 nan 8.190 nan 0.000 0.468 829 L N 4.347 125.597 121.223 0.045 0.000 2.475 829 L HA 0.434 4.971 4.340 0.328 0.000 0.253 829 L C 0.957 177.884 176.870 0.095 0.000 1.198 829 L CA -0.387 54.459 54.840 0.011 0.000 0.814 829 L CB -0.058 41.876 42.059 -0.208 0.000 1.134 829 L HN 0.790 nan 8.230 nan 0.000 0.478 830 H N -1.609 117.597 119.070 0.226 0.000 2.839 830 H HA -0.131 4.622 4.556 0.329 0.000 0.298 830 H C -0.477 175.033 175.328 0.302 0.000 1.224 830 H CA 0.467 56.650 56.048 0.225 0.000 1.144 830 H CB -1.395 28.470 29.762 0.171 0.000 1.372 830 H HN 0.581 nan 8.280 nan 0.000 0.408 831 S N -0.874 115.046 115.700 0.367 0.000 2.546 831 S HA 0.674 5.341 4.470 0.328 0.000 0.274 831 S C -1.089 173.632 174.600 0.201 0.000 1.121 831 S CA -1.055 57.353 58.200 0.347 0.000 0.887 831 S CB 3.896 67.358 63.200 0.437 0.000 1.094 831 S HN 0.215 nan 8.310 nan 0.000 0.474 832 D N 0.744 121.165 120.400 0.035 0.000 2.552 832 D HA 0.610 5.447 4.640 0.328 0.000 0.239 832 D C -0.505 175.649 176.300 -0.243 0.000 1.139 832 D CA -0.139 53.798 54.000 -0.104 0.000 0.914 832 D CB 2.429 43.133 40.800 -0.158 0.000 1.461 832 D HN 0.798 nan 8.370 nan 0.000 0.462 833 T N -0.102 114.318 114.554 -0.224 0.000 2.913 833 T HA 0.207 4.754 4.350 0.328 0.000 0.297 833 T C 1.991 176.538 174.700 -0.255 0.000 1.029 833 T CA -0.701 61.254 62.100 -0.243 0.000 1.104 833 T CB 0.564 69.330 68.868 -0.170 0.000 0.964 833 T HN 0.273 nan 8.240 nan 0.000 0.532 834 I N 1.624 122.069 120.570 -0.208 0.000 2.194 834 I HA -0.211 4.156 4.170 0.328 0.000 0.246 834 I C 2.921 178.981 176.117 -0.094 0.000 1.093 834 I CA 1.887 63.115 61.300 -0.120 0.000 1.355 834 I CB -2.259 35.767 38.000 0.044 0.000 1.046 834 I HN 0.898 nan 8.210 nan 0.000 0.413 835 A N 0.968 123.741 122.820 -0.078 0.000 1.883 835 A HA -0.287 4.230 4.320 0.328 0.000 0.217 835 A C 2.221 179.755 177.584 -0.084 0.000 1.186 835 A CA 2.409 54.407 52.037 -0.065 0.000 0.624 835 A CB -1.068 17.897 19.000 -0.057 0.000 0.822 835 A HN 0.457 nan 8.150 nan 0.000 0.444 836 N N -0.126 118.507 118.700 -0.111 0.000 2.069 836 N HA -0.116 4.820 4.740 0.328 0.000 0.191 836 N C 1.532 176.974 175.510 -0.114 0.000 1.031 836 N CA 1.876 54.862 53.050 -0.108 0.000 0.852 836 N CB -0.365 38.051 38.487 -0.118 0.000 1.018 836 N HN 0.538 nan 8.380 nan 0.000 0.423 837 I N 0.292 120.746 120.570 -0.194 0.000 2.208 837 I HA -0.283 4.083 4.170 0.328 0.000 0.245 837 I C 1.842 177.909 176.117 -0.083 0.000 1.097 837 I CA 1.218 62.392 61.300 -0.210 0.000 1.363 837 I CB -0.321 37.415 38.000 -0.440 0.000 1.051 837 I HN 0.279 nan 8.210 nan 0.000 0.413 838 Q N 0.388 120.148 119.800 -0.066 0.000 2.488 838 Q HA -0.039 4.497 4.340 0.328 0.000 0.211 838 Q C 2.198 178.188 176.000 -0.016 0.000 0.967 838 Q CA 0.511 56.301 55.803 -0.021 0.000 0.926 838 Q CB 0.061 28.794 28.738 -0.008 0.000 0.992 838 Q HN 0.575 nan 8.270 nan 0.000 0.506 839 L N 0.475 121.681 121.223 -0.028 0.000 2.261 839 L HA -0.154 4.383 4.340 0.328 0.000 0.216 839 L C 0.616 177.481 176.870 -0.008 0.000 1.114 839 L CA 0.353 55.180 54.840 -0.022 0.000 0.777 839 L CB -0.415 41.627 42.059 -0.030 0.000 0.910 839 L HN 0.414 nan 8.230 nan 0.000 0.440 840 N N 1.215 119.917 118.700 0.003 0.000 2.714 840 N HA -0.203 4.734 4.740 0.328 0.000 0.253 840 N C -0.262 175.254 175.510 0.010 0.000 1.024 840 N CA 0.635 53.694 53.050 0.015 0.000 0.726 840 N CB -0.902 37.592 38.487 0.011 0.000 0.908 840 N HN 0.283 nan 8.380 nan 0.000 0.542 841 K N 0.462 120.871 120.400 0.015 0.000 2.350 841 K HA 0.214 4.731 4.320 0.328 0.000 0.279 841 K C 0.872 177.480 176.600 0.013 0.000 1.027 841 K CA 0.005 56.297 56.287 0.010 0.000 0.969 841 K CB 0.545 33.051 32.500 0.011 0.000 0.954 841 K HN 0.495 nan 8.250 nan 0.000 0.474 842 S N 2.004 117.706 115.700 0.002 0.000 2.606 842 S HA 0.013 4.680 4.470 0.328 0.000 0.257 842 S C 0.607 175.210 174.600 0.005 0.000 1.327 842 S CA -0.181 58.019 58.200 0.000 0.000 0.984 842 S CB 0.350 63.545 63.200 -0.008 0.000 0.941 842 S HN 0.888 nan 8.310 nan 0.000 0.576 843 N N -1.504 117.198 118.700 0.004 0.000 2.782 843 N HA -0.130 4.806 4.740 0.328 0.000 0.251 843 N C -0.654 174.863 175.510 0.012 0.000 1.101 843 N CA 1.403 54.456 53.050 0.005 0.000 0.764 843 N CB -1.064 37.424 38.487 0.002 0.000 1.122 843 N HN 0.591 nan 8.380 nan 0.000 0.561 844 M N -1.642 117.969 119.600 0.019 0.000 2.775 844 M HA 0.631 5.308 4.480 0.328 0.000 0.296 844 M C 1.137 177.452 176.300 0.025 0.000 1.248 844 M CA -0.296 55.021 55.300 0.029 0.000 0.800 844 M CB 0.407 33.040 32.600 0.054 0.000 1.765 844 M HN -0.070 nan 8.290 nan 0.000 0.472 845 A N -0.192 122.643 122.820 0.024 0.000 2.195 845 A HA 0.466 4.983 4.320 0.328 0.000 0.210 845 A C 1.529 179.131 177.584 0.030 0.000 1.165 845 A CA 1.019 53.063 52.037 0.012 0.000 0.806 845 A CB -0.409 18.582 19.000 -0.015 0.000 0.847 845 A HN 0.838 nan 8.150 nan 0.000 0.482 846 A N -0.436 122.425 122.820 0.068 0.000 2.275 846 A HA 0.285 4.802 4.320 0.328 0.000 0.212 846 A C 0.934 178.569 177.584 0.085 0.000 1.201 846 A CA 0.403 52.506 52.037 0.111 0.000 0.843 846 A CB -0.605 18.532 19.000 0.228 0.000 0.873 846 A HN 0.248 nan 8.150 nan 0.000 0.492 847 T N 1.972 116.559 114.554 0.055 0.000 2.829 847 T HA 0.449 4.996 4.350 0.328 0.000 0.293 847 T C 0.251 174.966 174.700 0.025 0.000 0.970 847 T CA 0.678 62.798 62.100 0.033 0.000 1.168 847 T CB 0.741 69.618 68.868 0.015 0.000 0.911 847 T HN 0.511 nan 8.240 nan 0.000 0.535 848 A N 2.383 125.214 122.820 0.020 0.000 2.386 848 A HA 0.845 5.361 4.320 0.328 0.000 0.308 848 A C 1.341 178.896 177.584 -0.049 0.000 1.128 848 A CA -0.393 51.656 52.037 0.019 0.000 0.789 848 A CB 0.836 19.876 19.000 0.067 0.000 1.325 848 A HN 0.825 nan 8.150 nan 0.000 0.437 849 A N -0.036 122.738 122.820 -0.077 0.000 1.969 849 A HA 0.356 4.873 4.320 0.328 0.000 0.218 849 A C 0.189 177.376 177.584 -0.663 0.000 1.169 849 A CA 1.190 53.018 52.037 -0.348 0.000 0.635 849 A CB -0.373 18.437 19.000 -0.318 0.000 0.810 849 A HN 0.661 nan 8.150 nan 0.000 0.445 850 F N -2.383 117.558 119.950 -0.014 0.000 2.565 850 F HA 0.374 5.098 4.527 0.328 0.000 0.313 850 F C 0.791 176.576 175.800 -0.025 0.000 1.091 850 F CA -0.839 57.144 58.000 -0.029 0.000 0.915 850 F CB 1.513 40.483 39.000 -0.049 0.000 1.208 850 F HN 0.044 nan 8.300 nan 0.000 0.453 851 N N 1.898 120.681 118.700 0.139 0.000 2.223 851 N HA -0.213 4.724 4.740 0.328 0.000 0.185 851 N C 1.828 177.378 175.510 0.067 0.000 1.016 851 N CA 1.775 54.874 53.050 0.082 0.000 0.863 851 N CB 0.033 38.561 38.487 0.068 0.000 0.983 851 N HN 0.679 nan 8.380 nan 0.000 0.429 852 K N -0.460 119.965 120.400 0.041 0.000 2.280 852 K HA -0.129 4.388 4.320 0.328 0.000 0.202 852 K C 0.555 177.100 176.600 -0.091 0.000 1.047 852 K CA 1.492 57.720 56.287 -0.098 0.000 0.942 852 K CB 0.027 32.341 32.500 -0.311 0.000 0.739 852 K HN 0.251 nan 8.250 nan 0.000 0.457 853 D N 1.267 121.685 120.400 0.029 0.000 2.317 853 D HA 0.014 4.851 4.640 0.328 0.000 0.211 853 D C 1.924 178.287 176.300 0.105 0.000 0.966 853 D CA 0.851 54.917 54.000 0.111 0.000 0.876 853 D CB 0.172 41.063 40.800 0.153 0.000 0.927 853 D HN 0.393 nan 8.370 nan 0.000 0.519 854 A N 1.633 124.504 122.820 0.086 0.000 1.884 854 A HA -0.206 4.310 4.320 0.328 0.000 0.219 854 A C 2.251 179.907 177.584 0.119 0.000 1.197 854 A CA 1.060 53.151 52.037 0.091 0.000 0.637 854 A CB -0.901 18.135 19.000 0.061 0.000 0.827 854 A HN 0.243 nan 8.150 nan 0.000 0.450 855 L N -1.476 119.803 121.223 0.092 0.000 2.056 855 L HA -0.143 4.394 4.340 0.328 0.000 0.207 855 L C 2.563 179.503 176.870 0.117 0.000 1.078 855 L CA 1.556 56.448 54.840 0.087 0.000 0.749 855 L CB -0.297 41.795 42.059 0.055 0.000 0.901 855 L HN 0.488 nan 8.230 nan 0.000 0.433 856 L N 0.231 121.499 121.223 0.075 0.000 2.093 856 L HA -0.194 4.343 4.340 0.328 0.000 0.208 856 L C 2.113 179.035 176.870 0.087 0.000 1.085 856 L CA 1.648 56.516 54.840 0.046 0.000 0.755 856 L CB -0.774 41.303 42.059 0.032 0.000 0.904 856 L HN 0.247 nan 8.230 nan 0.000 0.435 857 N N -1.359 117.410 118.700 0.115 0.000 2.166 857 N HA -0.244 4.693 4.740 0.328 0.000 0.186 857 N C 1.471 177.064 175.510 0.137 0.000 1.019 857 N CA 1.487 54.600 53.050 0.106 0.000 0.856 857 N CB -0.582 37.968 38.487 0.104 0.000 0.993 857 N HN 0.592 nan 8.380 nan 0.000 0.426 858 W N 1.394 122.696 121.300 0.004 0.000 2.381 858 W HA 0.073 4.929 4.660 0.327 0.000 0.301 858 W C 1.844 178.367 176.519 0.007 0.000 1.205 858 W CA 0.758 58.109 57.345 0.009 0.000 1.285 858 W CB -0.316 29.154 29.460 0.016 0.000 1.133 858 W HN -0.043 nan 8.180 nan 0.000 0.521 859 L N 0.749 122.141 121.223 0.281 0.000 2.017 859 L HA -0.256 4.281 4.340 0.328 0.000 0.208 859 L C 2.535 179.378 176.870 -0.045 0.000 1.073 859 L CA 1.740 56.645 54.840 0.109 0.000 0.745 859 L CB -0.856 41.277 42.059 0.124 0.000 0.894 859 L HN -0.037 nan 8.230 nan 0.000 0.432 860 K N -0.056 120.334 120.400 -0.017 0.000 2.032 860 K HA -0.196 4.321 4.320 0.328 0.000 0.209 860 K C 2.266 178.815 176.600 -0.085 0.000 1.048 860 K CA 1.919 58.184 56.287 -0.037 0.000 0.927 860 K CB -0.303 32.191 32.500 -0.010 0.000 0.712 860 K HN 0.389 nan 8.250 nan 0.000 0.441 861 S N 0.967 116.595 115.700 -0.121 0.000 2.419 861 S HA -0.082 4.585 4.470 0.328 0.000 0.233 861 S C 1.672 176.131 174.600 -0.236 0.000 1.016 861 S CA 0.940 59.043 58.200 -0.162 0.000 0.974 861 S CB -0.021 63.076 63.200 -0.173 0.000 0.786 861 S HN 0.107 nan 8.310 nan 0.000 0.492 862 K N 1.739 121.933 120.400 -0.344 0.000 2.361 862 K HA 0.243 4.759 4.320 0.328 0.000 0.196 862 K C 0.053 176.539 176.600 -0.189 0.000 1.039 862 K CA 0.275 56.350 56.287 -0.352 0.000 1.001 862 K CB -0.160 31.987 32.500 -0.588 0.000 0.795 862 K HN 0.489 nan 8.250 nan 0.000 0.495 863 N N 1.695 120.315 118.700 -0.132 0.000 2.790 863 N HA 0.217 5.154 4.740 0.328 0.000 0.256 863 N C -2.876 172.605 175.510 -0.048 0.000 1.409 863 N CA -1.138 51.872 53.050 -0.068 0.000 0.799 863 N CB 1.815 40.281 38.487 -0.034 0.000 1.170 863 N HN -0.091 nan 8.380 nan 0.000 0.507 864 P HA 0.057 nan 4.420 nan 0.000 0.268 864 P C 1.188 178.477 177.300 -0.019 0.000 1.205 864 P CA 0.611 63.691 63.100 -0.035 0.000 0.771 864 P CB 0.742 32.421 31.700 -0.035 0.000 0.858 865 G N 3.059 111.851 108.800 -0.013 0.000 2.690 865 G HA2 -0.413 3.744 3.960 0.328 0.000 0.334 865 G HA3 -0.413 3.744 3.960 0.328 0.000 0.334 865 G C 1.163 176.064 174.900 0.001 0.000 1.250 865 G CA 0.750 45.847 45.100 -0.005 0.000 0.994 865 G HN 0.546 nan 8.290 nan 0.000 0.549 866 E N 1.103 121.305 120.200 0.004 0.000 2.265 866 E HA 0.114 4.660 4.350 0.328 0.000 0.196 866 E C 2.864 179.473 176.600 0.015 0.000 0.996 866 E CA 0.941 57.347 56.400 0.011 0.000 0.832 866 E CB -0.256 29.451 29.700 0.011 0.000 0.756 866 E HN 0.635 nan 8.360 nan 0.000 0.491 867 A N 0.818 123.643 122.820 0.009 0.000 2.066 867 A HA -0.114 4.402 4.320 0.328 0.000 0.218 867 A C 2.033 179.629 177.584 0.021 0.000 1.157 867 A CA 0.524 52.570 52.037 0.014 0.000 0.670 867 A CB -0.274 18.727 19.000 0.002 0.000 0.804 867 A HN 0.222 nan 8.150 nan 0.000 0.453 868 L N 0.464 121.695 121.223 0.013 0.000 2.012 868 L HA -0.191 4.346 4.340 0.328 0.000 0.210 868 L C 1.599 178.489 176.870 0.033 0.000 1.073 868 L CA 2.592 57.441 54.840 0.016 0.000 0.748 868 L CB -0.874 41.188 42.059 0.005 0.000 0.891 868 L HN 0.345 nan 8.230 nan 0.000 0.431 869 D N -0.660 119.762 120.400 0.036 0.000 2.133 869 D HA -0.248 4.589 4.640 0.328 0.000 0.192 869 D C 2.318 178.661 176.300 0.072 0.000 1.001 869 D CA 1.487 55.517 54.000 0.050 0.000 0.844 869 D CB -0.134 40.694 40.800 0.047 0.000 0.944 869 D HN 0.175 nan 8.370 nan 0.000 0.447 870 R N 0.738 121.281 120.500 0.072 0.000 2.075 870 R HA 0.052 4.589 4.340 0.328 0.000 0.232 870 R C 1.911 178.276 176.300 0.109 0.000 1.126 870 R CA 1.667 57.821 56.100 0.091 0.000 0.963 870 R CB -0.829 29.521 30.300 0.084 0.000 0.858 870 R HN 0.116 nan 8.270 nan 0.000 0.435 871 A N 0.529 123.408 122.820 0.099 0.000 1.902 871 A HA -0.113 4.404 4.320 0.328 0.000 0.217 871 A C 2.314 179.997 177.584 0.165 0.000 1.181 871 A CA 1.700 53.813 52.037 0.127 0.000 0.623 871 A CB -0.660 18.399 19.000 0.098 0.000 0.818 871 A HN 0.371 nan 8.150 nan 0.000 0.443 872 I N -0.658 119.985 120.570 0.122 0.000 2.264 872 I HA -0.271 4.095 4.170 0.328 0.000 0.248 872 I C 2.561 178.809 176.117 0.218 0.000 1.111 872 I CA 1.886 63.266 61.300 0.134 0.000 1.382 872 I CB -0.251 37.788 38.000 0.065 0.000 1.060 872 I HN 0.438 nan 8.210 nan 0.000 0.418 873 E N 1.114 121.425 120.200 0.185 0.000 2.047 873 E HA -0.208 4.339 4.350 0.328 0.000 0.191 873 E C 2.056 178.770 176.600 0.190 0.000 0.987 873 E CA 1.260 57.779 56.400 0.198 0.000 0.799 873 E CB -0.033 29.761 29.700 0.156 0.000 0.752 873 E HN 0.277 nan 8.360 nan 0.000 0.449 874 E N -0.093 120.210 120.200 0.171 0.000 2.070 874 E HA -0.224 4.322 4.350 0.328 0.000 0.197 874 E C 2.015 178.738 176.600 0.205 0.000 1.004 874 E CA 1.199 57.691 56.400 0.154 0.000 0.805 874 E CB -0.572 29.221 29.700 0.155 0.000 0.744 874 E HN 0.373 nan 8.360 nan 0.000 0.451 875 F N 1.840 121.857 119.950 0.111 0.000 2.126 875 F HA -0.229 4.495 4.527 0.327 0.000 0.299 875 F C 2.430 178.305 175.800 0.125 0.000 1.096 875 F CA 1.908 59.968 58.000 0.099 0.000 1.255 875 F CB -0.240 38.801 39.000 0.069 0.000 0.997 875 F HN -0.059 nan 8.300 nan 0.000 0.479 876 T N 1.315 116.074 114.554 0.341 0.000 2.737 876 T HA -0.133 4.414 4.350 0.328 0.000 0.265 876 T C 2.106 177.031 174.700 0.375 0.000 1.038 876 T CA 1.602 63.922 62.100 0.367 0.000 1.144 876 T CB -0.504 68.629 68.868 0.443 0.000 0.866 876 T HN 0.208 nan 8.240 nan 0.000 0.434 877 L N 1.550 122.887 121.223 0.191 0.000 1.989 877 L HA -0.151 4.386 4.340 0.328 0.000 0.211 877 L C 2.973 179.863 176.870 0.033 0.000 1.071 877 L CA 1.697 56.525 54.840 -0.019 0.000 0.749 877 L CB -0.806 41.166 42.059 -0.145 0.000 0.890 877 L HN 0.379 nan 8.230 nan 0.000 0.431 878 S N -1.494 114.252 115.700 0.077 0.000 2.387 878 S HA -0.228 4.439 4.470 0.328 0.000 0.226 878 S C 2.202 176.935 174.600 0.223 0.000 1.026 878 S CA 0.898 59.199 58.200 0.169 0.000 0.972 878 S CB -1.190 62.152 63.200 0.236 0.000 0.814 878 S HN 0.504 nan 8.310 nan 0.000 0.477 879 C N 2.352 121.682 119.300 0.049 0.000 2.398 879 C HA -0.028 4.629 4.460 0.328 0.000 0.276 879 C C 3.179 178.405 174.990 0.393 0.000 1.222 879 C CA 1.172 60.244 59.018 0.090 0.000 1.746 879 C CB -1.769 25.887 27.740 -0.140 0.000 2.039 879 C HN 0.701 nan 8.230 nan 0.000 0.470 880 A N 0.205 123.305 122.820 0.466 0.000 1.877 880 A HA 0.070 4.586 4.320 0.328 0.000 0.216 880 A C 2.469 180.118 177.584 0.108 0.000 1.186 880 A CA 2.293 54.495 52.037 0.275 0.000 0.620 880 A CB -1.566 17.495 19.000 0.102 0.000 0.822 880 A HN 0.704 nan 8.150 nan 0.000 0.443 881 G N -1.347 107.431 108.800 -0.037 0.000 2.514 881 G HA2 -0.274 3.883 3.960 0.328 0.000 0.217 881 G HA3 -0.274 3.883 3.960 0.328 0.000 0.217 881 G C 1.467 176.407 174.900 0.067 0.000 1.198 881 G CA 1.366 46.376 45.100 -0.150 0.000 0.780 881 G HN 0.552 nan 8.290 nan 0.000 0.565 882 Y N 0.114 120.544 120.300 0.217 0.000 2.293 882 Y HA -0.074 4.673 4.550 0.328 0.000 0.291 882 Y C 3.154 179.127 175.900 0.121 0.000 1.137 882 Y CA 0.683 58.879 58.100 0.160 0.000 1.202 882 Y CB -0.607 37.945 38.460 0.152 0.000 0.990 882 Y HN 0.224 nan 8.280 nan 0.000 0.537 883 C N -1.185 118.288 119.300 0.288 0.000 2.425 883 C HA -0.122 4.535 4.460 0.328 0.000 0.277 883 C C 2.740 177.848 174.990 0.195 0.000 1.280 883 C CA 0.897 59.986 59.018 0.119 0.000 1.744 883 C CB -1.044 26.780 27.740 0.140 0.000 1.989 883 C HN 0.358 nan 8.230 nan 0.000 0.491 884 V N 0.959 121.123 119.914 0.417 0.000 2.407 884 V HA -0.096 4.221 4.120 0.328 0.000 0.245 884 V C 2.661 179.036 176.094 0.469 0.000 1.041 884 V CA 1.955 64.610 62.300 0.591 0.000 1.040 884 V CB -1.138 30.995 31.823 0.516 0.000 0.671 884 V HN 0.561 nan 8.190 nan 0.000 0.455 885 A N 1.014 124.045 122.820 0.351 0.000 1.877 885 A HA -0.236 4.281 4.320 0.328 0.000 0.216 885 A C 2.492 180.177 177.584 0.168 0.000 1.186 885 A CA 2.653 54.819 52.037 0.215 0.000 0.620 885 A CB -1.031 18.052 19.000 0.139 0.000 0.822 885 A HN 0.619 nan 8.150 nan 0.000 0.443 886 T N -3.775 110.889 114.554 0.183 0.000 2.904 886 T HA -0.168 4.379 4.350 0.328 0.000 0.267 886 T C 1.837 176.666 174.700 0.215 0.000 1.059 886 T CA 1.451 63.650 62.100 0.165 0.000 1.137 886 T CB -0.514 68.431 68.868 0.128 0.000 0.879 886 T HN 0.446 nan 8.240 nan 0.000 0.467 887 Y N 2.412 122.802 120.300 0.149 0.000 2.133 887 Y HA -0.027 4.720 4.550 0.328 0.000 0.287 887 Y C 2.387 178.448 175.900 0.267 0.000 1.134 887 Y CA 0.843 59.082 58.100 0.231 0.000 1.133 887 Y CB -0.787 37.895 38.460 0.370 0.000 0.987 887 Y HN 0.047 nan 8.280 nan 0.000 0.502 888 V N 0.910 120.859 119.914 0.059 0.000 2.282 888 V HA -0.343 3.974 4.120 0.328 0.000 0.249 888 V C 2.428 178.443 176.094 -0.131 0.000 1.057 888 V CA 2.302 64.543 62.300 -0.099 0.000 1.032 888 V CB -0.851 30.948 31.823 -0.039 0.000 0.645 888 V HN 0.463 nan 8.190 nan 0.000 0.447 889 L N 0.204 121.378 121.223 -0.081 0.000 2.552 889 L HA 0.213 4.750 4.340 0.328 0.000 0.227 889 L C 1.673 178.445 176.870 -0.164 0.000 1.146 889 L CA 0.828 55.578 54.840 -0.150 0.000 0.858 889 L CB -0.753 41.274 42.059 -0.054 0.000 0.969 889 L HN 0.574 nan 8.230 nan 0.000 0.451 890 G N 1.220 110.010 108.800 -0.017 0.000 2.198 890 G HA2 -0.292 3.865 3.960 0.328 0.000 0.257 890 G HA3 -0.292 3.865 3.960 0.328 0.000 0.257 890 G C 0.141 175.063 174.900 0.036 0.000 1.042 890 G CA -0.199 44.858 45.100 -0.072 0.000 0.791 890 G HN 0.339 nan 8.290 nan 0.000 0.502 891 I N 1.981 122.639 120.570 0.147 0.000 2.278 891 I HA 0.405 4.772 4.170 0.328 0.000 0.296 891 I C 1.462 177.710 176.117 0.219 0.000 1.121 891 I CA 0.308 61.745 61.300 0.228 0.000 1.267 891 I CB 0.243 38.416 38.000 0.288 0.000 1.447 891 I HN 0.216 nan 8.210 nan 0.000 0.509 892 G N 2.984 111.907 108.800 0.204 0.000 2.531 892 G HA2 0.195 4.352 3.960 0.328 0.000 0.281 892 G HA3 0.195 4.352 3.960 0.328 0.000 0.281 892 G C 0.072 175.050 174.900 0.130 0.000 1.382 892 G CA -0.232 44.974 45.100 0.176 0.000 1.045 892 G HN 0.659 nan 8.290 nan 0.000 0.533 893 D N -1.484 118.967 120.400 0.085 0.000 2.746 893 D HA -0.137 4.700 4.640 0.328 0.000 0.236 893 D C 0.181 176.418 176.300 -0.105 0.000 1.129 893 D CA 0.499 54.514 54.000 0.025 0.000 0.691 893 D CB -0.585 40.216 40.800 0.003 0.000 1.077 893 D HN 0.277 nan 8.370 nan 0.000 0.432 894 R N 1.039 121.517 120.500 -0.037 0.000 2.265 894 R HA 0.557 5.094 4.340 0.328 0.000 0.319 894 R C 0.451 176.696 176.300 -0.090 0.000 1.006 894 R CA -0.378 55.666 56.100 -0.093 0.000 0.880 894 R CB 1.167 31.547 30.300 0.133 0.000 1.077 894 R HN 0.520 nan 8.270 nan 0.000 0.454 895 H N -2.288 116.792 119.070 0.017 0.000 2.942 895 H HA 0.203 4.956 4.556 0.327 0.000 0.316 895 H C 0.793 176.100 175.328 -0.036 0.000 1.323 895 H CA -0.605 55.432 56.048 -0.017 0.000 1.144 895 H CB 0.216 29.961 29.762 -0.029 0.000 1.866 895 H HN 0.364 nan 8.280 nan 0.000 0.545 896 S N -1.040 114.767 115.700 0.178 0.000 2.440 896 S HA -0.235 4.432 4.470 0.328 0.000 0.240 896 S C 0.835 175.469 174.600 0.056 0.000 1.014 896 S CA 1.683 59.932 58.200 0.081 0.000 0.980 896 S CB -0.436 62.781 63.200 0.028 0.000 0.775 896 S HN 0.637 nan 8.310 nan 0.000 0.499 897 D N 2.593 123.109 120.400 0.193 0.000 2.194 897 D HA -0.031 4.805 4.640 0.328 0.000 0.204 897 D C 1.390 177.695 176.300 0.008 0.000 0.964 897 D CA 1.137 55.203 54.000 0.110 0.000 0.846 897 D CB -0.346 40.555 40.800 0.168 0.000 0.962 897 D HN 0.883 nan 8.370 nan 0.000 0.490 898 N N 0.079 118.744 118.700 -0.059 0.000 2.234 898 N HA 0.115 5.051 4.740 0.328 0.000 0.227 898 N C -0.024 175.265 175.510 -0.368 0.000 1.151 898 N CA -0.092 52.829 53.050 -0.215 0.000 0.865 898 N CB 1.014 39.349 38.487 -0.252 0.000 1.066 898 N HN 0.057 nan 8.380 nan 0.000 0.515 899 I N 1.372 121.723 120.570 -0.365 0.000 2.433 899 I HA 0.395 4.762 4.170 0.328 0.000 0.292 899 I C -0.216 175.583 176.117 -0.530 0.000 1.001 899 I CA -0.697 60.265 61.300 -0.564 0.000 1.119 899 I CB 1.848 39.593 38.000 -0.424 0.000 1.289 899 I HN -0.103 nan 8.210 nan 0.000 0.438 900 M N 6.399 125.509 119.600 -0.817 0.000 2.724 900 M HA 0.660 5.337 4.480 0.328 0.000 0.310 900 M C -1.123 174.777 176.300 -0.666 0.000 1.217 900 M CA -0.918 53.894 55.300 -0.813 0.000 0.894 900 M CB 2.696 34.631 32.600 -1.108 0.000 1.719 900 M HN 0.392 nan 8.290 nan 0.000 0.479 901 I N -1.270 119.093 120.570 -0.346 0.000 2.619 901 I HA 0.593 4.959 4.170 0.328 0.000 0.292 901 I C -0.714 175.531 176.117 0.214 0.000 1.100 901 I CA -0.838 60.437 61.300 -0.041 0.000 1.043 901 I CB 1.678 39.661 38.000 -0.029 0.000 1.239 901 I HN 0.555 nan 8.210 nan 0.000 0.420 902 R N 2.884 123.629 120.500 0.409 0.000 2.560 902 R HA 0.309 4.845 4.340 0.328 0.000 0.270 902 R C 0.415 177.026 176.300 0.518 0.000 1.074 902 R CA -0.569 55.808 56.100 0.461 0.000 1.140 902 R CB 0.960 31.486 30.300 0.375 0.000 1.073 902 R HN 0.730 nan 8.270 nan 0.000 0.527 903 E N 0.404 120.866 120.200 0.436 0.000 2.268 903 E HA -0.138 4.409 4.350 0.328 0.000 0.195 903 E C 1.565 178.245 176.600 0.134 0.000 0.995 903 E CA 1.359 57.886 56.400 0.211 0.000 0.836 903 E CB 0.108 29.830 29.700 0.036 0.000 0.763 903 E HN 0.586 nan 8.360 nan 0.000 0.491 904 S N -0.580 115.225 115.700 0.175 0.000 2.507 904 S HA 0.002 4.669 4.470 0.328 0.000 0.235 904 S C 1.744 176.466 174.600 0.203 0.000 0.988 904 S CA 0.641 58.933 58.200 0.153 0.000 0.944 904 S CB 0.078 63.364 63.200 0.143 0.000 0.762 904 S HN 0.406 nan 8.310 nan 0.000 0.526 905 G N 0.225 109.202 108.800 0.294 0.000 2.213 905 G HA2 -0.257 3.900 3.960 0.328 0.000 0.236 905 G HA3 -0.257 3.900 3.960 0.328 0.000 0.236 905 G C -0.103 175.020 174.900 0.371 0.000 0.991 905 G CA -0.020 45.297 45.100 0.361 0.000 0.629 905 G HN 0.592 nan 8.290 nan 0.000 0.517 906 Q N 0.418 120.392 119.800 0.290 0.000 2.244 906 Q HA 0.472 5.009 4.340 0.328 0.000 0.278 906 Q C 0.566 176.731 176.000 0.275 0.000 1.093 906 Q CA 0.036 55.995 55.803 0.260 0.000 0.916 906 Q CB 1.005 29.893 28.738 0.249 0.000 1.159 906 Q HN 0.565 nan 8.270 nan 0.000 0.384 907 L N 4.784 126.077 121.223 0.118 0.000 2.375 907 L HA 0.590 5.127 4.340 0.328 0.000 0.271 907 L C -0.803 176.086 176.870 0.031 0.000 1.107 907 L CA -0.437 54.364 54.840 -0.066 0.000 0.806 907 L CB 0.351 42.157 42.059 -0.423 0.000 1.146 907 L HN 0.659 nan 8.230 nan 0.000 0.447 908 F N 0.979 120.718 119.950 -0.350 0.000 2.745 908 F HA 0.532 5.255 4.527 0.327 0.000 0.316 908 F C -1.338 174.196 175.800 -0.444 0.000 1.155 908 F CA -1.074 56.549 58.000 -0.627 0.000 0.937 908 F CB 1.197 40.089 39.000 -0.180 0.000 1.361 908 F HN 0.333 nan 8.300 nan 0.000 0.472 909 H N 1.509 120.402 119.070 -0.295 0.000 2.569 909 H HA 0.757 5.510 4.556 0.328 0.000 0.357 909 H C -0.728 174.509 175.328 -0.153 0.000 1.153 909 H CA -0.573 55.330 56.048 -0.241 0.000 1.193 909 H CB 2.735 32.456 29.762 -0.068 0.000 1.602 909 H HN 0.786 nan 8.280 nan 0.000 0.523 910 I N -1.794 118.584 120.570 -0.319 0.000 3.108 910 I HA 0.338 4.705 4.170 0.328 0.000 0.312 910 I C -0.727 175.127 176.117 -0.439 0.000 1.095 910 I CA -1.062 60.098 61.300 -0.232 0.000 1.000 910 I CB 2.072 40.008 38.000 -0.106 0.000 1.229 910 I HN 0.410 nan 8.210 nan 0.000 0.454 911 D N 1.892 122.168 120.400 -0.206 0.000 2.904 911 D HA -0.211 4.626 4.640 0.328 0.000 0.231 911 D C -1.041 175.180 176.300 -0.131 0.000 1.185 911 D CA 1.083 55.022 54.000 -0.103 0.000 0.783 911 D CB -1.165 39.603 40.800 -0.053 0.000 0.961 911 D HN 0.370 nan 8.370 nan 0.000 0.409 912 F N 0.082 120.097 119.950 0.108 0.000 2.467 912 F HA 0.457 5.181 4.527 0.328 0.000 0.362 912 F C 1.860 177.680 175.800 0.035 0.000 1.090 912 F CA 0.254 58.305 58.000 0.085 0.000 1.202 912 F CB 1.360 40.405 39.000 0.075 0.000 1.113 912 F HN 0.119 nan 8.300 nan 0.000 0.541 913 G N 1.219 110.167 108.800 0.246 0.000 2.747 913 G HA2 0.061 4.218 3.960 0.328 0.000 0.202 913 G HA3 0.061 4.218 3.960 0.328 0.000 0.202 913 G C -0.560 174.330 174.900 -0.017 0.000 1.090 913 G CA 0.152 45.358 45.100 0.176 0.000 0.779 913 G HN 0.565 nan 8.290 nan 0.000 0.535 914 H N -0.402 118.694 119.070 0.043 0.000 2.840 914 H HA 0.546 5.298 4.556 0.327 0.000 0.340 914 H C -0.924 174.478 175.328 0.123 0.000 1.004 914 H CA -1.049 55.019 56.048 0.033 0.000 1.288 914 H CB 1.346 31.147 29.762 0.064 0.000 1.607 914 H HN 0.272 nan 8.280 nan 0.000 0.522 915 F N 0.294 120.246 119.950 0.004 0.000 2.664 915 F HA 0.498 5.222 4.527 0.329 0.000 0.329 915 F C -0.364 175.285 175.800 -0.252 0.000 1.090 915 F CA -1.755 56.196 58.000 -0.082 0.000 0.978 915 F CB 1.485 40.456 39.000 -0.048 0.000 1.378 915 F HN 0.407 nan 8.300 nan 0.000 0.495 916 L N 1.373 122.350 121.223 -0.410 0.000 3.737 916 L HA -0.217 4.319 4.340 0.328 0.000 0.418 916 L C 0.935 177.111 176.870 -1.156 0.000 1.216 916 L CA 0.874 55.114 54.840 -1.001 0.000 0.915 916 L CB -2.070 39.599 42.059 -0.650 0.000 1.834 916 L HN 1.344 nan 8.230 nan 0.000 0.943 917 G N -0.585 107.702 108.800 -0.854 0.000 2.179 917 G HA2 -0.334 3.823 3.960 0.328 0.000 0.257 917 G HA3 -0.334 3.823 3.960 0.328 0.000 0.257 917 G C 0.082 174.714 174.900 -0.447 0.000 1.010 917 G CA 0.579 45.443 45.100 -0.393 0.000 0.736 917 G HN 0.694 nan 8.290 nan 0.000 0.513 918 N N 0.409 118.900 118.700 -0.348 0.000 2.437 918 N HA 0.563 5.500 4.740 0.328 0.000 0.243 918 N C 0.468 175.909 175.510 -0.115 0.000 1.041 918 N CA -0.631 52.181 53.050 -0.396 0.000 0.940 918 N CB 0.346 38.741 38.487 -0.154 0.000 1.133 918 N HN 0.416 nan 8.380 nan 0.000 0.506 930 V N 2.712 122.896 119.914 0.449 0.000 2.555 930 V HA 0.769 5.086 4.120 0.328 0.000 0.286 930 V C -1.794 174.513 176.094 0.355 0.000 1.044 930 V CA -1.132 61.378 62.300 0.350 0.000 1.026 930 V CB 0.600 32.616 31.823 0.322 0.000 0.981 930 V HN 0.615 nan 8.190 nan 0.000 0.480 931 P HA 0.271 nan 4.420 nan 0.000 0.276 931 P C -0.547 176.915 177.300 0.271 0.000 1.252 931 P CA -0.543 62.705 63.100 0.247 0.000 0.802 931 P CB 0.655 32.428 31.700 0.122 0.000 1.035 932 F N 1.317 121.229 119.950 -0.062 0.000 2.518 932 F HA 0.170 4.894 4.527 0.329 0.000 0.359 932 F C 0.226 175.971 175.800 -0.090 0.000 1.118 932 F CA 0.146 58.007 58.000 -0.232 0.000 1.287 932 F CB 0.237 38.836 39.000 -0.668 0.000 1.132 932 F HN 0.048 nan 8.300 nan 0.000 0.587 933 I N 7.746 128.067 120.570 -0.416 0.000 2.389 933 I HA 0.281 4.647 4.170 0.328 0.000 0.288 933 I C -0.743 175.294 176.117 -0.134 0.000 0.999 933 I CA -0.564 60.634 61.300 -0.170 0.000 1.129 933 I CB 1.200 39.155 38.000 -0.075 0.000 1.288 933 I HN 0.493 nan 8.210 nan 0.000 0.444 934 L N 6.035 127.269 121.223 0.019 0.000 2.319 934 L HA 0.425 4.962 4.340 0.328 0.000 0.281 934 L C -0.037 176.871 176.870 0.063 0.000 1.005 934 L CA -0.362 54.546 54.840 0.113 0.000 0.828 934 L CB 1.973 44.109 42.059 0.129 0.000 1.227 934 L HN 0.541 nan 8.230 nan 0.000 0.415 935 T N 1.259 115.828 114.554 0.026 0.000 2.767 935 T HA 0.096 4.643 4.350 0.328 0.000 0.288 935 T C 0.724 175.403 174.700 -0.036 0.000 0.963 935 T CA -0.336 61.669 62.100 -0.158 0.000 1.019 935 T CB 1.394 69.852 68.868 -0.682 0.000 0.923 935 T HN 0.413 nan 8.240 nan 0.000 0.468 936 Y N 3.176 123.440 120.300 -0.059 0.000 2.096 936 Y HA -0.294 4.452 4.550 0.328 0.000 0.278 936 Y C 1.831 177.782 175.900 0.085 0.000 1.192 936 Y CA 2.036 60.176 58.100 0.068 0.000 1.143 936 Y CB -0.268 38.314 38.460 0.202 0.000 0.963 936 Y HN 0.651 nan 8.280 nan 0.000 0.505 937 D N -1.011 119.359 120.400 -0.050 0.000 2.178 937 D HA -0.137 4.700 4.640 0.328 0.000 0.202 937 D C 1.939 178.390 176.300 0.251 0.000 0.974 937 D CA 1.181 55.174 54.000 -0.012 0.000 0.841 937 D CB -0.313 40.508 40.800 0.034 0.000 0.953 937 D HN 0.302 nan 8.370 nan 0.000 0.478 938 F N 0.084 120.130 119.950 0.160 0.000 2.149 938 F HA -0.021 4.702 4.527 0.327 0.000 0.294 938 F C 2.475 178.388 175.800 0.189 0.000 1.095 938 F CA 0.127 58.322 58.000 0.325 0.000 1.276 938 F CB -1.224 37.959 39.000 0.305 0.000 1.023 938 F HN -0.148 nan 8.300 nan 0.000 0.480 939 V N -0.012 120.063 119.914 0.269 0.000 2.380 939 V HA -0.337 3.980 4.120 0.328 0.000 0.251 939 V C 2.390 178.513 176.094 0.048 0.000 1.063 939 V CA 2.407 64.794 62.300 0.145 0.000 1.055 939 V CB -0.993 30.912 31.823 0.136 0.000 0.657 939 V HN 0.362 nan 8.190 nan 0.000 0.455 940 H N -0.404 118.570 119.070 -0.160 0.000 2.389 940 H HA -0.099 4.653 4.556 0.328 0.000 0.299 940 H C 2.036 177.284 175.328 -0.133 0.000 1.081 940 H CA 1.921 57.824 56.048 -0.242 0.000 1.345 940 H CB -0.032 29.477 29.762 -0.423 0.000 1.393 940 H HN 0.203 nan 8.280 nan 0.000 0.520 941 V N 0.333 120.192 119.914 -0.092 0.000 2.379 941 V HA -0.197 4.120 4.120 0.328 0.000 0.245 941 V C 2.468 178.479 176.094 -0.138 0.000 1.044 941 V CA 1.750 63.904 62.300 -0.243 0.000 1.036 941 V CB -0.446 30.980 31.823 -0.662 0.000 0.664 941 V HN 0.434 nan 8.190 nan 0.000 0.453 942 I N -0.079 120.500 120.570 0.015 0.000 2.264 942 I HA -0.299 4.067 4.170 0.328 0.000 0.248 942 I C 2.175 178.321 176.117 0.047 0.000 1.111 942 I CA 1.576 62.924 61.300 0.080 0.000 1.382 942 I CB -0.317 37.691 38.000 0.013 0.000 1.060 942 I HN 0.386 nan 8.210 nan 0.000 0.418 943 Q N 0.627 120.419 119.800 -0.013 0.000 2.282 943 Q HA 0.021 4.558 4.340 0.328 0.000 0.205 943 Q C -0.038 175.893 176.000 -0.115 0.000 0.915 943 Q CA 0.001 55.781 55.803 -0.038 0.000 0.949 943 Q CB 0.261 28.967 28.738 -0.054 0.000 1.035 943 Q HN 0.449 nan 8.270 nan 0.000 0.484 944 Q N -1.566 118.160 119.800 -0.123 0.000 2.480 944 Q HA -0.294 4.243 4.340 0.328 0.000 0.265 944 Q C 0.719 176.609 176.000 -0.184 0.000 1.072 944 Q CA 0.372 56.105 55.803 -0.118 0.000 1.018 944 Q CB -1.926 26.780 28.738 -0.052 0.000 1.433 944 Q HN 0.713 nan 8.270 nan 0.000 0.513 945 G N -0.819 107.757 108.800 -0.373 0.000 2.195 945 G HA2 -0.316 3.840 3.960 0.328 0.000 0.246 945 G HA3 -0.316 3.840 3.960 0.328 0.000 0.246 945 G C 0.077 174.735 174.900 -0.403 0.000 0.984 945 G CA 0.321 45.129 45.100 -0.487 0.000 0.633 945 G HN 0.265 nan 8.290 nan 0.000 0.525 946 K N 0.531 120.770 120.400 -0.270 0.000 2.118 946 K HA 0.579 5.096 4.320 0.328 0.000 0.264 946 K C 1.484 178.023 176.600 -0.102 0.000 1.000 946 K CA 0.168 56.376 56.287 -0.131 0.000 0.929 946 K CB 0.910 33.365 32.500 -0.076 0.000 1.021 946 K HN 0.042 nan 8.250 nan 0.000 0.463 947 T N 0.947 115.480 114.554 -0.036 0.000 2.777 947 T HA -0.062 4.485 4.350 0.328 0.000 0.266 947 T C 0.300 174.990 174.700 -0.017 0.000 1.040 947 T CA 1.094 63.191 62.100 -0.004 0.000 1.141 947 T CB -0.082 68.779 68.868 -0.012 0.000 0.868 947 T HN 0.516 nan 8.240 nan 0.000 0.444 948 N N 2.039 120.725 118.700 -0.023 0.000 2.296 948 N HA 0.369 5.305 4.740 0.328 0.000 0.294 948 N C -1.326 174.181 175.510 -0.005 0.000 1.033 948 N CA -0.410 52.629 53.050 -0.017 0.000 0.839 948 N CB 1.653 40.134 38.487 -0.011 0.000 1.395 948 N HN 0.033 nan 8.380 nan 0.000 0.479 949 N N 0.528 119.238 118.700 0.016 0.000 2.884 949 N HA -0.014 4.923 4.740 0.328 0.000 0.211 949 N C 0.321 175.897 175.510 0.109 0.000 1.442 949 N CA -0.155 52.922 53.050 0.046 0.000 0.757 949 N CB 0.188 38.693 38.487 0.030 0.000 1.461 949 N HN 0.434 nan 8.380 nan 0.000 0.557 950 S N -0.224 115.538 115.700 0.104 0.000 2.423 950 S HA -0.149 4.518 4.470 0.328 0.000 0.231 950 S C 1.492 176.189 174.600 0.161 0.000 1.014 950 S CA 1.188 59.487 58.200 0.166 0.000 0.965 950 S CB -0.024 63.248 63.200 0.119 0.000 0.785 950 S HN 0.613 nan 8.310 nan 0.000 0.495 951 E N 1.434 121.695 120.200 0.102 0.000 2.031 951 E HA -0.193 4.354 4.350 0.328 0.000 0.193 951 E C 1.869 178.519 176.600 0.083 0.000 0.994 951 E CA 1.103 57.547 56.400 0.073 0.000 0.800 951 E CB -0.041 29.690 29.700 0.052 0.000 0.752 951 E HN 0.274 nan 8.360 nan 0.000 0.447 952 K N -0.017 120.450 120.400 0.111 0.000 2.103 952 K HA -0.099 4.417 4.320 0.328 0.000 0.204 952 K C 1.981 178.689 176.600 0.181 0.000 1.052 952 K CA 0.773 57.133 56.287 0.121 0.000 0.945 952 K CB -0.488 32.081 32.500 0.115 0.000 0.722 952 K HN 0.222 nan 8.250 nan 0.000 0.443 953 F N 2.736 122.748 119.950 0.104 0.000 2.186 953 F HA -0.114 4.610 4.527 0.328 0.000 0.299 953 F C 1.938 177.872 175.800 0.222 0.000 1.090 953 F CA 1.353 59.471 58.000 0.197 0.000 1.307 953 F CB 0.202 39.307 39.000 0.176 0.000 1.019 953 F HN -0.025 nan 8.300 nan 0.000 0.489 954 E N 0.309 120.553 120.200 0.074 0.000 2.152 954 E HA -0.124 4.422 4.350 0.328 0.000 0.192 954 E C 2.359 178.821 176.600 -0.229 0.000 0.983 954 E CA 0.599 56.936 56.400 -0.106 0.000 0.818 954 E CB -0.419 29.287 29.700 0.010 0.000 0.758 954 E HN 0.468 nan 8.360 nan 0.000 0.467 955 R N 0.039 120.425 120.500 -0.191 0.000 2.103 955 R HA -0.172 4.365 4.340 0.328 0.000 0.242 955 R C 2.293 178.150 176.300 -0.738 0.000 1.142 955 R CA 1.527 57.384 56.100 -0.404 0.000 0.960 955 R CB -0.468 29.663 30.300 -0.282 0.000 0.858 955 R HN 0.154 nan 8.270 nan 0.000 0.439 956 F N 1.559 121.182 119.950 -0.544 0.000 2.134 956 F HA -0.183 4.541 4.527 0.328 0.000 0.299 956 F C 2.503 178.092 175.800 -0.350 0.000 1.097 956 F CA 1.471 59.241 58.000 -0.383 0.000 1.264 956 F CB -0.265 38.656 39.000 -0.132 0.000 1.001 956 F HN -0.169 nan 8.300 nan 0.000 0.479 957 R N 0.370 120.474 120.500 -0.659 0.000 2.091 957 R HA -0.141 4.396 4.340 0.328 0.000 0.238 957 R C 2.497 178.429 176.300 -0.613 0.000 1.136 957 R CA 1.598 57.187 56.100 -0.852 0.000 0.959 957 R CB -1.240 28.554 30.300 -0.843 0.000 0.856 957 R HN 0.495 nan 8.270 nan 0.000 0.437 958 G N 0.123 108.635 108.800 -0.479 0.000 2.476 958 G HA2 -0.292 3.865 3.960 0.328 0.000 0.218 958 G HA3 -0.292 3.865 3.960 0.328 0.000 0.218 958 G C 1.030 175.804 174.900 -0.210 0.000 1.164 958 G CA 1.016 45.921 45.100 -0.324 0.000 0.768 958 G HN 0.321 nan 8.290 nan 0.000 0.560 959 Y N 0.661 120.810 120.300 -0.251 0.000 2.081 959 Y HA -0.161 4.586 4.550 0.328 0.000 0.280 959 Y C 3.232 178.942 175.900 -0.317 0.000 1.163 959 Y CA 0.237 58.182 58.100 -0.259 0.000 1.135 959 Y CB -1.434 36.900 38.460 -0.211 0.000 0.970 959 Y HN 0.228 nan 8.280 nan 0.000 0.498 960 C N -0.040 119.129 119.300 -0.219 0.000 2.413 960 C HA -0.185 4.472 4.460 0.328 0.000 0.276 960 C C 2.610 177.494 174.990 -0.178 0.000 1.248 960 C CA 1.065 59.997 59.018 -0.142 0.000 1.742 960 C CB -1.003 26.678 27.740 -0.099 0.000 2.017 960 C HN 0.572 nan 8.230 nan 0.000 0.481 961 E N 0.219 120.278 120.200 -0.235 0.000 2.047 961 E HA -0.177 4.369 4.350 0.328 0.000 0.191 961 E C 2.429 178.928 176.600 -0.168 0.000 0.987 961 E CA 0.918 57.164 56.400 -0.257 0.000 0.799 961 E CB -0.229 29.356 29.700 -0.192 0.000 0.752 961 E HN 0.550 nan 8.360 nan 0.000 0.449 962 R N 0.411 120.834 120.500 -0.128 0.000 2.083 962 R HA -0.158 4.379 4.340 0.328 0.000 0.237 962 R C 2.378 178.614 176.300 -0.107 0.000 1.137 962 R CA 1.319 57.364 56.100 -0.092 0.000 0.951 962 R CB -0.311 29.948 30.300 -0.067 0.000 0.851 962 R HN 0.119 nan 8.270 nan 0.000 0.434 963 A N 0.002 122.693 122.820 -0.216 0.000 1.902 963 A HA -0.235 4.282 4.320 0.328 0.000 0.217 963 A C 1.992 179.677 177.584 0.169 0.000 1.181 963 A CA 1.387 53.243 52.037 -0.302 0.000 0.623 963 A CB -0.779 17.841 19.000 -0.634 0.000 0.818 963 A HN 0.501 nan 8.150 nan 0.000 0.443 964 Y N 1.823 122.043 120.300 -0.133 0.000 2.163 964 Y HA -0.212 4.535 4.550 0.328 0.000 0.288 964 Y C 2.888 178.716 175.900 -0.119 0.000 1.136 964 Y CA 2.506 60.491 58.100 -0.192 0.000 1.147 964 Y CB -0.655 37.355 38.460 -0.750 0.000 0.987 964 Y HN 0.447 nan 8.280 nan 0.000 0.509 965 T N -1.552 112.914 114.554 -0.146 0.000 2.867 965 T HA -0.174 4.372 4.350 0.328 0.000 0.268 965 T C 1.945 176.592 174.700 -0.089 0.000 1.057 965 T CA 1.633 63.635 62.100 -0.163 0.000 1.136 965 T CB -0.841 67.983 68.868 -0.074 0.000 0.874 965 T HN 0.397 nan 8.240 nan 0.000 0.466 966 I N 1.011 121.604 120.570 0.039 0.000 2.226 966 I HA -0.085 4.282 4.170 0.328 0.000 0.245 966 I C 2.525 178.737 176.117 0.160 0.000 1.100 966 I CA 1.174 62.564 61.300 0.150 0.000 1.374 966 I CB -0.399 37.801 38.000 0.333 0.000 1.057 966 I HN 0.200 nan 8.210 nan 0.000 0.413 967 L N 0.021 121.319 121.223 0.125 0.000 2.083 967 L HA -0.188 4.349 4.340 0.328 0.000 0.209 967 L C 2.730 179.563 176.870 -0.061 0.000 1.083 967 L CA 1.282 56.147 54.840 0.043 0.000 0.752 967 L CB -0.671 41.320 42.059 -0.114 0.000 0.899 967 L HN 0.208 nan 8.230 nan 0.000 0.433 968 R N 0.030 120.391 120.500 -0.232 0.000 2.117 968 R HA -0.173 4.363 4.340 0.328 0.000 0.243 968 R C 2.368 178.585 176.300 -0.139 0.000 1.143 968 R CA 1.304 57.261 56.100 -0.238 0.000 0.968 968 R CB -0.302 29.809 30.300 -0.315 0.000 0.863 968 R HN 0.425 nan 8.270 nan 0.000 0.444 969 R N -0.430 119.988 120.500 -0.136 0.000 2.148 969 R HA -0.042 4.495 4.340 0.328 0.000 0.223 969 R C 1.005 177.112 176.300 -0.322 0.000 1.088 969 R CA 0.830 56.793 56.100 -0.228 0.000 0.985 969 R CB -0.033 30.094 30.300 -0.289 0.000 0.880 969 R HN 0.455 nan 8.270 nan 0.000 0.451 970 H N -0.759 118.324 119.070 0.022 0.000 2.507 970 H HA 0.165 4.918 4.556 0.328 0.000 0.294 970 H C 1.618 177.016 175.328 0.116 0.000 1.064 970 H CA 0.209 56.281 56.048 0.040 0.000 1.138 970 H CB 0.516 30.300 29.762 0.037 0.000 1.515 970 H HN 0.317 nan 8.280 nan 0.000 0.547 971 G N 1.267 110.133 108.800 0.110 0.000 2.469 971 G HA2 -0.243 3.914 3.960 0.328 0.000 0.219 971 G HA3 -0.243 3.914 3.960 0.328 0.000 0.219 971 G C 1.706 176.620 174.900 0.023 0.000 1.150 971 G CA 0.295 45.432 45.100 0.061 0.000 0.763 971 G HN 0.331 nan 8.290 nan 0.000 0.561 972 L N -0.368 120.806 121.223 -0.082 0.000 2.191 972 L HA -0.035 4.502 4.340 0.328 0.000 0.212 972 L C 2.700 179.308 176.870 -0.437 0.000 1.103 972 L CA 0.448 55.115 54.840 -0.289 0.000 0.769 972 L CB -0.344 41.550 42.059 -0.274 0.000 0.908 972 L HN 0.264 nan 8.230 nan 0.000 0.438 973 L N -0.594 120.513 121.223 -0.195 0.000 2.027 973 L HA -0.154 4.383 4.340 0.328 0.000 0.206 973 L C 2.290 179.016 176.870 -0.240 0.000 1.074 973 L CA 1.759 56.453 54.840 -0.244 0.000 0.745 973 L CB -0.544 41.367 42.059 -0.246 0.000 0.898 973 L HN -0.019 nan 8.230 nan 0.000 0.433 974 F N -0.481 119.416 119.950 -0.088 0.000 2.126 974 F HA -0.241 4.483 4.527 0.327 0.000 0.299 974 F C 2.298 178.132 175.800 0.056 0.000 1.096 974 F CA 1.656 59.663 58.000 0.012 0.000 1.255 974 F CB -0.772 38.194 39.000 -0.057 0.000 0.997 974 F HN 0.020 nan 8.300 nan 0.000 0.479 975 L N -0.866 120.411 121.223 0.089 0.000 2.012 975 L HA -0.277 4.260 4.340 0.328 0.000 0.210 975 L C 2.419 179.359 176.870 0.117 0.000 1.073 975 L CA 1.813 56.675 54.840 0.036 0.000 0.748 975 L CB -0.948 41.069 42.059 -0.069 0.000 0.891 975 L HN 0.280 nan 8.230 nan 0.000 0.431 976 H N -0.782 118.313 119.070 0.042 0.000 2.389 976 H HA -0.105 4.647 4.556 0.328 0.000 0.299 976 H C 2.376 177.695 175.328 -0.015 0.000 1.081 976 H CA 0.705 56.756 56.048 0.004 0.000 1.345 976 H CB 0.117 29.846 29.762 -0.054 0.000 1.393 976 H HN 0.235 nan 8.280 nan 0.000 0.520 977 L N -0.262 120.999 121.223 0.064 0.000 2.005 977 L HA -0.178 4.358 4.340 0.328 0.000 0.207 977 L C 2.010 178.875 176.870 -0.009 0.000 1.072 977 L CA 1.098 55.914 54.840 -0.041 0.000 0.744 977 L CB -0.426 41.542 42.059 -0.151 0.000 0.895 977 L HN 0.220 nan 8.230 nan 0.000 0.433 978 F N 0.261 120.201 119.950 -0.016 0.000 2.161 978 F HA -0.239 4.485 4.527 0.328 0.000 0.300 978 F C 2.589 178.394 175.800 0.008 0.000 1.089 978 F CA 1.322 59.315 58.000 -0.012 0.000 1.282 978 F CB -0.673 38.307 39.000 -0.033 0.000 1.010 978 F HN 0.031 nan 8.300 nan 0.000 0.485 979 A N -0.050 122.886 122.820 0.193 0.000 1.933 979 A HA -0.134 4.383 4.320 0.328 0.000 0.218 979 A C 2.207 179.871 177.584 0.133 0.000 1.175 979 A CA 1.385 53.513 52.037 0.150 0.000 0.628 979 A CB -1.004 18.093 19.000 0.162 0.000 0.814 979 A HN 0.400 nan 8.150 nan 0.000 0.444 980 L N -1.260 120.022 121.223 0.097 0.000 2.217 980 L HA -0.092 4.445 4.340 0.328 0.000 0.211 980 L C 2.430 179.290 176.870 -0.017 0.000 1.107 980 L CA 0.510 55.401 54.840 0.085 0.000 0.783 980 L CB -0.413 41.664 42.059 0.030 0.000 0.919 980 L HN 0.298 nan 8.230 nan 0.000 0.442 981 M N -0.425 119.139 119.600 -0.060 0.000 2.476 981 M HA -0.076 4.601 4.480 0.328 0.000 0.262 981 M C 2.130 178.378 176.300 -0.087 0.000 1.079 981 M CA 1.233 56.457 55.300 -0.127 0.000 1.104 981 M CB -0.841 31.628 32.600 -0.219 0.000 1.409 981 M HN 0.162 nan 8.290 nan 0.000 0.467 982 R N -0.242 120.250 120.500 -0.013 0.000 2.211 982 R HA -0.092 4.444 4.340 0.328 0.000 0.240 982 R C 1.881 178.136 176.300 -0.075 0.000 1.144 982 R CA 1.249 57.346 56.100 -0.004 0.000 0.992 982 R CB -0.470 29.865 30.300 0.057 0.000 0.869 982 R HN 0.345 nan 8.270 nan 0.000 0.462 983 A N 0.654 123.361 122.820 -0.188 0.000 2.209 983 A HA 0.075 4.592 4.320 0.328 0.000 0.212 983 A C 2.129 179.536 177.584 -0.295 0.000 1.158 983 A CA 1.109 52.886 52.037 -0.433 0.000 0.742 983 A CB -0.210 18.181 19.000 -1.015 0.000 0.790 983 A HN 0.363 nan 8.150 nan 0.000 0.472 984 A N -1.467 121.234 122.820 -0.199 0.000 1.970 984 A HA 0.360 4.877 4.320 0.328 0.000 0.216 984 A C 2.070 179.573 177.584 -0.136 0.000 1.170 984 A CA 1.501 53.445 52.037 -0.155 0.000 0.645 984 A CB -0.715 18.209 19.000 -0.127 0.000 0.816 984 A HN 1.753 nan 8.150 nan 0.000 0.447 985 G N -2.187 106.537 108.800 -0.127 0.000 2.176 985 G HA2 -0.177 3.980 3.960 0.328 0.000 0.253 985 G HA3 -0.177 3.980 3.960 0.328 0.000 0.253 985 G C -0.008 174.843 174.900 -0.081 0.000 0.979 985 G CA 0.129 45.162 45.100 -0.111 0.000 0.641 985 G HN 0.420 nan 8.290 nan 0.000 0.530 986 L N 1.423 122.604 121.223 -0.071 0.000 2.640 986 L HA 0.208 4.745 4.340 0.328 0.000 0.280 986 L C -0.225 176.618 176.870 -0.045 0.000 1.229 986 L CA -0.117 54.686 54.840 -0.062 0.000 0.919 986 L CB 0.524 42.553 42.059 -0.050 0.000 1.168 986 L HN -0.003 nan 8.230 nan 0.000 0.496 987 P HA -0.089 nan 4.420 nan 0.000 0.221 987 P C 0.647 177.929 177.300 -0.031 0.000 1.150 987 P CA 0.959 64.030 63.100 -0.048 0.000 0.800 987 P CB 0.259 31.925 31.700 -0.057 0.000 0.787 988 E N -1.029 119.157 120.200 -0.024 0.000 2.489 988 E HA 0.070 4.616 4.350 0.328 0.000 0.193 988 E C 0.111 176.824 176.600 0.188 0.000 1.057 988 E CA 0.052 56.484 56.400 0.054 0.000 0.866 988 E CB 0.025 29.742 29.700 0.028 0.000 0.916 988 E HN 0.086 nan 8.360 nan 0.000 0.500 989 L N -0.008 121.298 121.223 0.138 0.000 2.625 989 L HA 0.243 4.779 4.340 0.328 0.000 0.255 989 L C 0.049 176.948 176.870 0.049 0.000 1.493 989 L CA 0.085 55.012 54.840 0.144 0.000 0.796 989 L CB 0.709 42.906 42.059 0.230 0.000 1.064 989 L HN -0.217 nan 8.230 nan 0.000 0.516 990 S N -0.823 114.888 115.700 0.018 0.000 2.527 990 S HA 0.256 4.922 4.470 0.328 0.000 0.227 990 S C 0.653 175.236 174.600 -0.028 0.000 1.059 990 S CA 0.381 58.569 58.200 -0.020 0.000 0.919 990 S CB 0.151 63.333 63.200 -0.031 0.000 0.805 990 S HN 0.722 nan 8.310 nan 0.000 0.500 991 C N -0.387 118.905 119.300 -0.012 0.000 3.340 991 C HA 0.682 5.338 4.460 0.328 0.000 0.333 991 C C 1.681 176.669 174.990 -0.004 0.000 1.464 991 C CA -0.512 58.495 59.018 -0.018 0.000 1.337 991 C CB 0.821 28.546 27.740 -0.024 0.000 1.740 991 C HN 0.156 nan 8.230 nan 0.000 0.450 992 S N 1.018 116.714 115.700 -0.007 0.000 2.387 992 S HA -0.182 4.485 4.470 0.328 0.000 0.230 992 S C 1.778 176.379 174.600 0.002 0.000 1.035 992 S CA 1.761 59.960 58.200 -0.002 0.000 1.014 992 S CB -0.320 62.877 63.200 -0.005 0.000 0.836 992 S HN 0.765 nan 8.310 nan 0.000 0.466 993 K N 1.311 121.714 120.400 0.006 0.000 2.103 993 K HA -0.108 4.409 4.320 0.328 0.000 0.207 993 K C 1.462 178.081 176.600 0.032 0.000 1.048 993 K CA 1.247 57.545 56.287 0.018 0.000 0.930 993 K CB -0.536 31.975 32.500 0.019 0.000 0.716 993 K HN 0.436 nan 8.250 nan 0.000 0.444 994 D N 0.925 121.333 120.400 0.013 0.000 2.123 994 D HA -0.084 4.753 4.640 0.328 0.000 0.200 994 D C 2.016 178.297 176.300 -0.032 0.000 0.976 994 D CA 0.616 54.611 54.000 -0.009 0.000 0.831 994 D CB -0.044 40.753 40.800 -0.005 0.000 0.974 994 D HN 0.056 nan 8.370 nan 0.000 0.469 995 I N 1.035 121.594 120.570 -0.019 0.000 2.179 995 I HA -0.229 4.138 4.170 0.328 0.000 0.242 995 I C 2.470 178.551 176.117 -0.061 0.000 1.088 995 I CA 0.989 62.262 61.300 -0.045 0.000 1.357 995 I CB -0.991 37.009 38.000 -0.000 0.000 1.051 995 I HN 0.009 nan 8.210 nan 0.000 0.409 996 Q N 0.571 120.354 119.800 -0.028 0.000 2.181 996 Q HA -0.268 4.269 4.340 0.328 0.000 0.205 996 Q C 2.203 178.166 176.000 -0.061 0.000 0.980 996 Q CA 1.679 57.458 55.803 -0.040 0.000 0.862 996 Q CB -0.797 27.928 28.738 -0.021 0.000 0.905 996 Q HN 0.524 nan 8.270 nan 0.000 0.429 997 Y N -0.191 120.028 120.300 -0.135 0.000 2.151 997 Y HA -0.248 4.499 4.550 0.328 0.000 0.284 997 Y C 1.754 177.526 175.900 -0.215 0.000 1.166 997 Y CA 1.881 59.886 58.100 -0.158 0.000 1.163 997 Y CB -0.061 38.289 38.460 -0.184 0.000 0.974 997 Y HN 0.177 nan 8.280 nan 0.000 0.511 998 L N -0.322 120.844 121.223 -0.095 0.000 2.156 998 L HA -0.207 4.329 4.340 0.328 0.000 0.208 998 L C 2.211 178.958 176.870 -0.204 0.000 1.095 998 L CA 1.314 56.020 54.840 -0.224 0.000 0.770 998 L CB -0.322 41.504 42.059 -0.388 0.000 0.914 998 L HN 0.236 nan 8.230 nan 0.000 0.439 999 K N -0.277 120.026 120.400 -0.163 0.000 2.057 999 K HA -0.153 4.364 4.320 0.328 0.000 0.206 999 K C 1.579 178.091 176.600 -0.146 0.000 1.050 999 K CA 1.421 57.626 56.287 -0.136 0.000 0.935 999 K CB -0.109 32.329 32.500 -0.104 0.000 0.715 999 K HN 0.268 nan 8.250 nan 0.000 0.439 1000 D N 0.413 120.701 120.400 -0.185 0.000 2.183 1000 D HA -0.110 4.726 4.640 0.328 0.000 0.203 1000 D C 2.099 178.296 176.300 -0.172 0.000 0.969 1000 D CA 1.396 55.279 54.000 -0.195 0.000 0.842 1000 D CB -0.110 40.542 40.800 -0.245 0.000 0.957 1000 D HN 0.193 nan 8.370 nan 0.000 0.484 1001 S N 0.504 116.064 115.700 -0.234 0.000 2.371 1001 S HA -0.063 4.604 4.470 0.328 0.000 0.224 1001 S C 1.974 176.608 174.600 0.056 0.000 1.029 1001 S CA 0.504 58.590 58.200 -0.190 0.000 0.978 1001 S CB -0.528 62.493 63.200 -0.298 0.000 0.833 1001 S HN 0.210 nan 8.310 nan 0.000 0.466 1002 L N 1.513 122.708 121.223 -0.047 0.000 2.591 1002 L HA 0.406 4.943 4.340 0.328 0.000 0.228 1002 L C 1.331 178.176 176.870 -0.040 0.000 1.133 1002 L CA 0.166 54.956 54.840 -0.083 0.000 0.880 1002 L CB -0.707 41.218 42.059 -0.222 0.000 1.033 1002 L HN 0.472 nan 8.230 nan 0.000 0.450 1003 A N 0.547 123.363 122.820 -0.006 0.000 2.364 1003 A HA -0.227 4.290 4.320 0.328 0.000 0.288 1003 A C 1.528 179.072 177.584 -0.067 0.000 1.433 1003 A CA 0.467 52.472 52.037 -0.053 0.000 0.757 1003 A CB -1.446 17.544 19.000 -0.017 0.000 1.098 1003 A HN 0.362 nan 8.150 nan 0.000 0.380 1004 L N -0.245 120.927 121.223 -0.086 0.000 2.083 1004 L HA -0.127 4.410 4.340 0.328 0.000 0.209 1004 L C 2.419 179.250 176.870 -0.065 0.000 1.083 1004 L CA 2.516 57.307 54.840 -0.082 0.000 0.752 1004 L CB -1.176 40.831 42.059 -0.087 0.000 0.899 1004 L HN 0.793 nan 8.230 nan 0.000 0.433 1005 G N -0.379 108.383 108.800 -0.064 0.000 2.776 1005 G HA2 -0.112 4.044 3.960 0.328 0.000 0.209 1005 G HA3 -0.112 4.044 3.960 0.328 0.000 0.209 1005 G C 0.754 175.628 174.900 -0.043 0.000 1.145 1005 G CA 0.003 45.072 45.100 -0.051 0.000 0.791 1005 G HN 0.294 nan 8.290 nan 0.000 0.530 1006 K N 0.305 120.679 120.400 -0.043 0.000 2.185 1006 K HA 0.449 4.966 4.320 0.328 0.000 0.240 1006 K C 0.552 177.141 176.600 -0.018 0.000 0.983 1006 K CA -0.550 55.721 56.287 -0.026 0.000 0.873 1006 K CB 1.235 33.722 32.500 -0.021 0.000 1.118 1006 K HN 0.102 nan 8.250 nan 0.000 0.441 1007 T N -2.294 112.256 114.554 -0.007 0.000 2.802 1007 T HA -0.011 4.536 4.350 0.328 0.000 0.305 1007 T C 1.178 175.880 174.700 0.003 0.000 1.053 1007 T CA -0.305 61.792 62.100 -0.005 0.000 1.058 1007 T CB 1.031 69.899 68.868 0.001 0.000 0.988 1007 T HN 0.748 nan 8.240 nan 0.000 0.539 1008 E N 0.078 120.275 120.200 -0.004 0.000 2.160 1008 E HA -0.228 4.319 4.350 0.328 0.000 0.195 1008 E C 1.869 178.486 176.600 0.029 0.000 0.991 1008 E CA 1.374 57.776 56.400 0.002 0.000 0.810 1008 E CB -0.044 29.647 29.700 -0.015 0.000 0.742 1008 E HN 0.845 nan 8.360 nan 0.000 0.466 1009 E N 0.717 120.931 120.200 0.024 0.000 2.051 1009 E HA -0.204 4.342 4.350 0.328 0.000 0.192 1009 E C 1.786 178.417 176.600 0.053 0.000 0.991 1009 E CA 1.800 58.219 56.400 0.032 0.000 0.799 1009 E CB 0.078 29.790 29.700 0.021 0.000 0.748 1009 E HN 0.324 nan 8.360 nan 0.000 0.449 1010 E N -0.165 120.066 120.200 0.051 0.000 2.028 1010 E HA -0.164 4.383 4.350 0.328 0.000 0.191 1010 E C 2.109 178.780 176.600 0.118 0.000 0.988 1010 E CA 0.946 57.387 56.400 0.068 0.000 0.799 1010 E CB -0.264 29.461 29.700 0.041 0.000 0.755 1010 E HN 0.349 nan 8.360 nan 0.000 0.447 1011 A N 1.241 124.130 122.820 0.115 0.000 1.917 1011 A HA -0.208 4.308 4.320 0.328 0.000 0.219 1011 A C 2.174 179.946 177.584 0.313 0.000 1.182 1011 A CA 1.247 53.407 52.037 0.205 0.000 0.633 1011 A CB -0.577 18.523 19.000 0.167 0.000 0.819 1011 A HN 0.204 nan 8.150 nan 0.000 0.448 1012 L N -0.114 121.240 121.223 0.217 0.000 2.027 1012 L HA -0.113 4.424 4.340 0.328 0.000 0.206 1012 L C 2.331 179.302 176.870 0.168 0.000 1.074 1012 L CA 2.702 57.659 54.840 0.195 0.000 0.745 1012 L CB -0.734 41.385 42.059 0.101 0.000 0.898 1012 L HN 0.469 nan 8.230 nan 0.000 0.433 1013 K N -1.049 119.428 120.400 0.128 0.000 2.020 1013 K HA -0.317 4.200 4.320 0.328 0.000 0.212 1013 K C 2.287 178.952 176.600 0.109 0.000 1.050 1013 K CA 2.296 58.639 56.287 0.095 0.000 0.929 1013 K CB -0.645 31.905 32.500 0.084 0.000 0.714 1013 K HN 0.562 nan 8.250 nan 0.000 0.443 1014 H N -1.147 117.965 119.070 0.071 0.000 2.290 1014 H HA -0.142 4.610 4.556 0.328 0.000 0.298 1014 H C 1.787 177.137 175.328 0.037 0.000 1.087 1014 H CA 2.419 58.506 56.048 0.064 0.000 1.291 1014 H CB -0.514 29.310 29.762 0.103 0.000 1.369 1014 H HN 0.319 nan 8.280 nan 0.000 0.492 1015 F N 1.094 121.041 119.950 -0.006 0.000 2.161 1015 F HA -0.178 4.546 4.527 0.328 0.000 0.300 1015 F C 2.416 178.034 175.800 -0.305 0.000 1.089 1015 F CA 1.550 59.389 58.000 -0.268 0.000 1.282 1015 F CB -0.202 38.497 39.000 -0.502 0.000 1.010 1015 F HN 0.046 nan 8.300 nan 0.000 0.485 1016 R N -0.423 119.986 120.500 -0.151 0.000 2.075 1016 R HA -0.113 4.424 4.340 0.328 0.000 0.232 1016 R C 2.190 178.374 176.300 -0.194 0.000 1.126 1016 R CA 1.531 57.514 56.100 -0.194 0.000 0.963 1016 R CB -0.655 29.603 30.300 -0.071 0.000 0.858 1016 R HN 0.240 nan 8.270 nan 0.000 0.435 1017 V N 1.625 121.428 119.914 -0.186 0.000 2.343 1017 V HA -0.263 4.054 4.120 0.328 0.000 0.247 1017 V C 2.186 178.138 176.094 -0.237 0.000 1.051 1017 V CA 1.631 63.829 62.300 -0.171 0.000 1.036 1017 V CB -0.368 31.360 31.823 -0.158 0.000 0.654 1017 V HN 0.257 nan 8.190 nan 0.000 0.451 1018 K N -0.583 119.590 120.400 -0.378 0.000 2.063 1018 K HA -0.192 4.324 4.320 0.328 0.000 0.208 1018 K C 2.093 178.416 176.600 -0.461 0.000 1.048 1018 K CA 1.789 57.824 56.287 -0.420 0.000 0.928 1018 K CB -0.665 31.500 32.500 -0.558 0.000 0.713 1018 K HN 0.501 nan 8.250 nan 0.000 0.442 1019 F N 2.876 122.313 119.950 -0.856 0.000 2.075 1019 F HA -0.202 4.522 4.527 0.328 0.000 0.297 1019 F C 1.953 177.580 175.800 -0.287 0.000 1.113 1019 F CA 1.433 58.950 58.000 -0.805 0.000 1.218 1019 F CB -0.212 38.178 39.000 -1.017 0.000 0.984 1019 F HN 0.042 nan 8.300 nan 0.000 0.472 1020 N N 0.804 119.521 118.700 0.028 0.000 2.069 1020 N HA -0.205 4.732 4.740 0.328 0.000 0.191 1020 N C 1.735 177.221 175.510 -0.039 0.000 1.031 1020 N CA 1.837 54.917 53.050 0.051 0.000 0.852 1020 N CB -0.645 37.870 38.487 0.046 0.000 1.018 1020 N HN 0.460 nan 8.380 nan 0.000 0.423 1021 E N 0.212 120.363 120.200 -0.082 0.000 2.160 1021 E HA -0.133 4.414 4.350 0.328 0.000 0.195 1021 E C 1.729 178.287 176.600 -0.071 0.000 0.991 1021 E CA 1.079 57.435 56.400 -0.073 0.000 0.810 1021 E CB -0.064 29.586 29.700 -0.083 0.000 0.742 1021 E HN 0.405 nan 8.360 nan 0.000 0.466 1022 A N 0.766 123.523 122.820 -0.105 0.000 1.930 1022 A HA -0.093 4.423 4.320 0.328 0.000 0.215 1022 A C 2.077 179.620 177.584 -0.068 0.000 1.176 1022 A CA 0.562 52.557 52.037 -0.071 0.000 0.632 1022 A CB -0.320 18.676 19.000 -0.007 0.000 0.819 1022 A HN 0.208 nan 8.150 nan 0.000 0.445 1023 L N 0.210 121.373 121.223 -0.099 0.000 2.083 1023 L HA -0.126 4.411 4.340 0.328 0.000 0.209 1023 L C 2.417 179.278 176.870 -0.015 0.000 1.083 1023 L CA 1.764 56.587 54.840 -0.029 0.000 0.752 1023 L CB -0.537 41.536 42.059 0.023 0.000 0.899 1023 L HN 0.343 nan 8.230 nan 0.000 0.433 1024 R N -0.622 119.865 120.500 -0.021 0.000 2.083 1024 R HA -0.219 4.318 4.340 0.328 0.000 0.237 1024 R C 2.204 178.487 176.300 -0.028 0.000 1.137 1024 R CA 1.567 57.656 56.100 -0.019 0.000 0.951 1024 R CB -0.458 29.828 30.300 -0.023 0.000 0.851 1024 R HN 0.328 nan 8.270 nan 0.000 0.434 1025 E N 1.213 121.389 120.200 -0.040 0.000 2.118 1025 E HA -0.102 4.445 4.350 0.328 0.000 0.195 1025 E C 0.299 176.850 176.600 -0.081 0.000 0.992 1025 E CA 0.764 57.125 56.400 -0.065 0.000 0.804 1025 E CB -0.082 29.582 29.700 -0.059 0.000 0.741 1025 E HN 0.062 nan 8.360 nan 0.000 0.458 1026 S N 0.317 116.003 115.700 -0.024 0.000 2.571 1026 S HA -0.026 4.640 4.470 0.328 0.000 0.297 1026 S C -0.578 174.056 174.600 0.056 0.000 1.234 1026 S CA -0.186 58.037 58.200 0.038 0.000 1.120 1026 S CB -0.630 62.660 63.200 0.151 0.000 0.923 1026 S HN 0.274 nan 8.310 nan 0.000 0.504 1027 W N 0.000 121.175 121.300 -0.209 0.000 2.388 1027 W HA 0.000 4.856 4.660 0.328 0.000 0.303 1027 W CA 0.000 57.181 57.345 -0.274 0.000 1.226 1027 W CB 0.000 29.148 29.460 -0.520 0.000 1.126 1027 W HN 0.000 nan 8.180 nan 0.000 0.535