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 2qta_1_B DATA FIRST_RESID 56 DATA SEQUENCE ISNYINTIPV EEQPEYPGNL ELERRIRSAI RWNAIMTVLR ASKKDLELGG DATA SEQUENCE HMASFQSSAT IYDVCFNHFF RARNEQDGGD LVYFQGHISP GVYARAFLEG DATA SEQUENCE RLTQEQLDNF RQEVHGNGLS SYPHPKLMPE FWQFPTVSMG LGPIGAIYQA DATA SEQUENCE KFLKYLEHRG LKDTSKQTVY AFLGDGEMDE PESKGAITIA TREKLDNLVF DATA SEQUENCE VINCNLQRLD GPVTGNGKII NELEGIFEGA GWNVIKVMWG SRWDELLRKD DATA SEQUENCE TSGKLIQLMN ETVDGDYQTF KSKDGAYVRE HFFGKYPETA ALVADWTDEQ DATA SEQUENCE IWALNRGGHD PKKIYAAFKK AQETKGKATV ILAHTIKGYG MGDAAXXXXX DATA SEQUENCE XXXXXXXXMD GVRHIRDRFN VPVSDADIEK LPYITFPEGS EEHTYLHAQR DATA SEQUENCE QKLHGYLPSR QPNFTEKLEL PSLQDFGALL EEQSKEISTT IAFVRALNVM DATA SEQUENCE LKNKSIKDRL VPIIADEART FGMEGLFRQI GIYSPXXXXX XXXXXXXXXX DATA SEQUENCE XXEDEKGQIL QEGINELGAG CSWLAAATSY STNNLPMIPF YIYYSMFGFQ DATA SEQUENCE RIGDLCWAAG DQQARGFLIG GTSGRTTLNG EGLQHEDGHS HIQSLTIPNC DATA SEQUENCE ISYDPAYAYE VAVIMHDGLE RMYGEKQENV YYYITTLNEN YHMPAMPEGA DATA SEQUENCE EEGIRKGIYK LETIEGSKGK VQLLGSGSIL RHVREAAEIL AKDYGVGSDV DATA SEQUENCE YSVTSFTELA RDGQDCERWN MLHPLETPRV PYIAQVMNDA PAVASTDYMK DATA SEQUENCE LFAEQVRTYV PADDYRVLGT DGFGRSDSRE NLRHHFEVDA SYVVVAALGE DATA SEQUENCE LAKRGEIDKK VVADAIAKFN IDADKVNPRL A 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 56 I HA 0.000 nan 4.170 nan 0.000 0.288 56 I C 0.000 176.132 176.117 0.026 0.000 1.063 56 I CA 0.000 61.313 61.300 0.021 0.000 1.566 56 I CB 0.000 38.017 38.000 0.029 0.000 1.214 57 S N 2.951 118.667 115.700 0.026 0.000 2.745 57 S HA 0.616 5.089 4.470 0.005 0.000 0.292 57 S C -0.018 174.618 174.600 0.060 0.000 1.133 57 S CA -0.837 57.381 58.200 0.030 0.000 0.998 57 S CB 0.960 64.166 63.200 0.010 0.000 1.087 57 S HN 0.726 nan 8.310 nan 0.000 0.551 58 N N 0.374 119.115 118.700 0.068 0.000 2.374 58 N HA 0.014 4.757 4.740 0.005 0.000 0.241 58 N C -0.689 174.918 175.510 0.162 0.000 1.262 58 N CA 0.188 53.308 53.050 0.116 0.000 0.880 58 N CB -0.212 38.337 38.487 0.103 0.000 1.105 58 N HN 0.720 nan 8.380 nan 0.000 0.438 59 Y N 2.242 122.581 120.300 0.066 0.000 3.028 59 Y HA 0.169 4.722 4.550 0.005 0.000 0.381 59 Y C 0.437 176.443 175.900 0.176 0.000 1.139 59 Y CA -0.122 58.019 58.100 0.068 0.000 2.013 59 Y CB -0.804 37.735 38.460 0.132 0.000 2.146 59 Y HN 0.334 nan 8.280 nan 0.000 0.412 60 I N -2.822 117.787 120.570 0.064 0.000 3.279 60 I HA 0.512 4.685 4.170 0.005 0.000 0.315 60 I C -0.705 175.378 176.117 -0.057 0.000 1.187 60 I CA -1.622 59.753 61.300 0.124 0.000 0.953 60 I CB 1.367 39.493 38.000 0.211 0.000 1.279 60 I HN -0.218 nan 8.210 nan 0.000 0.465 61 N N 1.809 120.506 118.700 -0.005 0.000 2.407 61 N HA 0.078 4.821 4.740 0.005 0.000 0.250 61 N C 0.778 176.265 175.510 -0.038 0.000 1.236 61 N CA 0.149 53.163 53.050 -0.060 0.000 0.879 61 N CB 0.835 39.327 38.487 0.007 0.000 1.088 61 N HN 0.672 nan 8.380 nan 0.000 0.450 62 T N 1.344 115.854 114.554 -0.073 0.000 2.821 62 T HA 0.048 4.401 4.350 0.005 0.000 0.267 62 T C 0.995 175.681 174.700 -0.023 0.000 1.046 62 T CA 0.813 62.881 62.100 -0.053 0.000 1.139 62 T CB 0.006 68.825 68.868 -0.082 0.000 0.871 62 T HN 0.412 nan 8.240 nan 0.000 0.454 63 I N 3.856 124.416 120.570 -0.016 0.000 2.306 63 I HA 0.254 4.427 4.170 0.005 0.000 0.288 63 I C -2.127 174.014 176.117 0.039 0.000 1.036 63 I CA -2.482 58.825 61.300 0.011 0.000 1.221 63 I CB 1.348 39.355 38.000 0.012 0.000 1.385 63 I HN 0.006 nan 8.210 nan 0.000 0.472 64 P HA 0.032 nan 4.420 nan 0.000 0.274 64 P C 1.169 178.512 177.300 0.073 0.000 1.231 64 P CA -0.306 62.832 63.100 0.064 0.000 0.790 64 P CB 1.413 33.146 31.700 0.056 0.000 0.951 65 V N 0.206 120.172 119.914 0.087 0.000 2.370 65 V HA -0.290 3.833 4.120 0.005 0.000 0.252 65 V C 1.926 178.066 176.094 0.077 0.000 1.068 65 V CA 2.085 64.439 62.300 0.089 0.000 1.061 65 V CB -1.871 30.009 31.823 0.095 0.000 0.656 65 V HN 0.372 nan 8.190 nan 0.000 0.455 66 E N 0.820 121.060 120.200 0.067 0.000 2.209 66 E HA -0.139 4.214 4.350 0.005 0.000 0.196 66 E C 2.024 178.657 176.600 0.055 0.000 0.993 66 E CA 1.602 58.036 56.400 0.057 0.000 0.819 66 E CB -0.322 29.407 29.700 0.049 0.000 0.745 66 E HN 0.844 nan 8.360 nan 0.000 0.477 67 E N -0.216 120.018 120.200 0.057 0.000 2.498 67 E HA 0.054 4.407 4.350 0.005 0.000 0.203 67 E C 0.071 176.713 176.600 0.070 0.000 1.013 67 E CA -0.216 56.217 56.400 0.054 0.000 0.927 67 E CB 0.416 30.141 29.700 0.042 0.000 1.012 67 E HN 0.170 nan 8.360 nan 0.000 0.482 68 Q N 2.848 122.698 119.800 0.084 0.000 2.304 68 Q HA 0.128 4.472 4.340 0.005 0.000 0.260 68 Q C -2.111 173.966 176.000 0.129 0.000 0.965 68 Q CA -1.843 54.029 55.803 0.115 0.000 0.898 68 Q CB 0.686 29.495 28.738 0.118 0.000 1.196 68 Q HN -0.052 nan 8.270 nan 0.000 0.402 69 P HA 0.052 nan 4.420 nan 0.000 0.276 69 P C -0.981 176.406 177.300 0.146 0.000 1.252 69 P CA -0.331 62.870 63.100 0.167 0.000 0.802 69 P CB 0.735 32.578 31.700 0.239 0.000 1.035 70 E N 0.634 120.881 120.200 0.078 0.000 2.384 70 E HA -0.026 4.327 4.350 0.005 0.000 0.266 70 E C -0.893 175.671 176.600 -0.059 0.000 1.012 70 E CA -0.430 55.991 56.400 0.034 0.000 0.901 70 E CB 0.153 29.859 29.700 0.011 0.000 0.967 70 E HN 0.323 nan 8.360 nan 0.000 0.435 71 Y N 6.853 127.028 120.300 -0.208 0.000 2.465 71 Y HA 0.092 4.646 4.550 0.005 0.000 0.331 71 Y C -1.502 174.144 175.900 -0.423 0.000 1.102 71 Y CA -1.652 56.179 58.100 -0.450 0.000 1.358 71 Y CB 1.020 39.311 38.460 -0.282 0.000 1.213 71 Y HN 0.521 nan 8.280 nan 0.000 0.525 72 P HA 0.103 nan 4.420 nan 0.000 0.240 72 P C 0.358 177.412 177.300 -0.411 0.000 1.190 72 P CA 0.573 63.294 63.100 -0.632 0.000 0.781 72 P CB 0.466 31.793 31.700 -0.623 0.000 0.931 73 G N 0.603 109.044 108.800 -0.599 0.000 2.531 73 G HA2 0.193 4.157 3.960 0.005 0.000 0.313 73 G HA3 0.193 4.157 3.960 0.005 0.000 0.313 73 G C -0.628 174.437 174.900 0.275 0.000 1.238 73 G CA -0.418 44.749 45.100 0.112 0.000 0.994 73 G HN 0.020 nan 8.290 nan 0.000 0.493 74 N N 0.554 119.401 118.700 0.245 0.000 2.602 74 N HA 0.131 4.874 4.740 0.005 0.000 0.238 74 N C 1.578 177.089 175.510 0.001 0.000 1.084 74 N CA -0.325 52.745 53.050 0.034 0.000 0.952 74 N CB 0.694 39.076 38.487 -0.175 0.000 1.244 74 N HN 0.372 nan 8.380 nan 0.000 0.512 75 L N 2.255 123.518 121.223 0.067 0.000 2.013 75 L HA -0.202 4.141 4.340 0.005 0.000 0.212 75 L C 1.977 178.828 176.870 -0.031 0.000 1.073 75 L CA 1.463 56.306 54.840 0.005 0.000 0.753 75 L CB -0.135 41.885 42.059 -0.065 0.000 0.890 75 L HN 0.540 nan 8.230 nan 0.000 0.432 76 E N -0.348 119.823 120.200 -0.048 0.000 2.106 76 E HA -0.222 4.131 4.350 0.005 0.000 0.192 76 E C 2.139 178.686 176.600 -0.087 0.000 0.984 76 E CA 0.891 57.262 56.400 -0.048 0.000 0.806 76 E CB -0.157 29.520 29.700 -0.040 0.000 0.750 76 E HN 0.274 nan 8.360 nan 0.000 0.458 77 L N 1.707 122.823 121.223 -0.178 0.000 2.109 77 L HA -0.112 4.231 4.340 0.005 0.000 0.207 77 L C 1.913 178.618 176.870 -0.274 0.000 1.086 77 L CA 1.704 56.374 54.840 -0.284 0.000 0.760 77 L CB -0.196 41.566 42.059 -0.495 0.000 0.910 77 L HN 0.004 nan 8.230 nan 0.000 0.437 78 E N -0.781 119.276 120.200 -0.238 0.000 2.110 78 E HA -0.260 4.093 4.350 0.005 0.000 0.193 78 E C 2.266 178.883 176.600 0.028 0.000 0.988 78 E CA 1.044 57.409 56.400 -0.058 0.000 0.804 78 E CB -0.173 29.585 29.700 0.097 0.000 0.745 78 E HN 0.404 nan 8.360 nan 0.000 0.458 79 R N 1.105 121.622 120.500 0.028 0.000 2.081 79 R HA -0.107 4.236 4.340 0.005 0.000 0.235 79 R C 2.286 178.645 176.300 0.098 0.000 1.131 79 R CA 1.133 57.282 56.100 0.083 0.000 0.960 79 R CB 0.044 30.393 30.300 0.081 0.000 0.856 79 R HN 0.039 nan 8.270 nan 0.000 0.436 80 R N 0.171 120.702 120.500 0.052 0.000 2.080 80 R HA -0.126 4.217 4.340 0.005 0.000 0.236 80 R C 2.376 178.777 176.300 0.167 0.000 1.137 80 R CA 1.947 58.102 56.100 0.092 0.000 0.943 80 R CB -0.404 29.906 30.300 0.017 0.000 0.846 80 R HN 0.282 nan 8.270 nan 0.000 0.431 81 I N 0.072 120.681 120.570 0.065 0.000 2.226 81 I HA -0.298 3.875 4.170 0.005 0.000 0.245 81 I C 2.763 179.019 176.117 0.232 0.000 1.100 81 I CA 1.211 62.602 61.300 0.152 0.000 1.374 81 I CB -0.292 37.721 38.000 0.022 0.000 1.057 81 I HN 0.180 nan 8.210 nan 0.000 0.413 82 R N 0.720 121.321 120.500 0.168 0.000 2.096 82 R HA -0.149 4.194 4.340 0.005 0.000 0.235 82 R C 2.358 178.744 176.300 0.143 0.000 1.127 82 R CA 1.790 57.987 56.100 0.161 0.000 0.968 82 R CB -0.082 30.301 30.300 0.137 0.000 0.861 82 R HN 0.203 nan 8.270 nan 0.000 0.440 83 S N 0.176 115.969 115.700 0.156 0.000 2.399 83 S HA -0.087 4.386 4.470 0.005 0.000 0.231 83 S C 1.841 176.564 174.600 0.206 0.000 1.022 83 S CA 1.032 59.318 58.200 0.142 0.000 0.983 83 S CB -0.011 63.313 63.200 0.206 0.000 0.803 83 S HN 0.562 nan 8.310 nan 0.000 0.480 84 A N 1.160 124.135 122.820 0.259 0.000 1.968 84 A HA 0.080 4.403 4.320 0.005 0.000 0.217 84 A C 1.999 179.757 177.584 0.291 0.000 1.169 84 A CA 0.796 52.988 52.037 0.258 0.000 0.638 84 A CB -0.504 18.642 19.000 0.244 0.000 0.812 84 A HN 0.479 nan 8.150 nan 0.000 0.446 85 I N -0.870 119.861 120.570 0.269 0.000 2.286 85 I HA -0.233 3.940 4.170 0.005 0.000 0.245 85 I C 2.727 179.013 176.117 0.282 0.000 1.104 85 I CA 1.080 62.533 61.300 0.255 0.000 1.397 85 I CB -0.327 37.826 38.000 0.256 0.000 1.072 85 I HN 0.282 nan 8.210 nan 0.000 0.417 86 R N 0.019 120.664 120.500 0.242 0.000 2.083 86 R HA -0.240 4.103 4.340 0.005 0.000 0.237 86 R C 2.245 178.660 176.300 0.193 0.000 1.137 86 R CA 1.984 58.188 56.100 0.174 0.000 0.951 86 R CB -0.592 29.617 30.300 -0.151 0.000 0.851 86 R HN 0.553 nan 8.270 nan 0.000 0.434 87 W N 2.232 123.562 121.300 0.050 0.000 2.332 87 W HA -0.213 4.450 4.660 0.005 0.000 0.321 87 W C 1.366 177.925 176.519 0.066 0.000 1.219 87 W CA 1.469 58.848 57.345 0.056 0.000 1.277 87 W CB -0.373 29.121 29.460 0.056 0.000 1.161 87 W HN 0.120 nan 8.180 nan 0.000 0.476 88 N N 0.780 119.617 118.700 0.230 0.000 2.205 88 N HA -0.165 4.578 4.740 0.005 0.000 0.186 88 N C 1.768 177.265 175.510 -0.021 0.000 1.015 88 N CA 2.014 55.147 53.050 0.139 0.000 0.862 88 N CB -0.979 37.613 38.487 0.176 0.000 0.986 88 N HN 0.209 nan 8.380 nan 0.000 0.429 89 A N 0.972 123.780 122.820 -0.019 0.000 1.877 89 A HA -0.055 4.269 4.320 0.005 0.000 0.216 89 A C 2.353 179.854 177.584 -0.138 0.000 1.186 89 A CA 0.911 52.892 52.037 -0.095 0.000 0.620 89 A CB -0.624 18.379 19.000 0.004 0.000 0.822 89 A HN 0.196 nan 8.150 nan 0.000 0.443 90 I N -0.559 119.927 120.570 -0.139 0.000 2.202 90 I HA -0.266 3.907 4.170 0.005 0.000 0.242 90 I C 2.593 178.523 176.117 -0.312 0.000 1.091 90 I CA 1.117 62.292 61.300 -0.208 0.000 1.368 90 I CB -0.250 37.599 38.000 -0.252 0.000 1.058 90 I HN 0.253 nan 8.210 nan 0.000 0.410 91 M N -0.190 119.142 119.600 -0.446 0.000 2.108 91 M HA -0.186 4.297 4.480 0.005 0.000 0.261 91 M C 2.428 178.581 176.300 -0.245 0.000 1.066 91 M CA 1.901 56.932 55.300 -0.449 0.000 1.107 91 M CB -1.740 30.515 32.600 -0.575 0.000 1.356 91 M HN 0.232 nan 8.290 nan 0.000 0.406 92 T N 1.061 115.539 114.554 -0.127 0.000 2.652 92 T HA -0.102 4.251 4.350 0.005 0.000 0.267 92 T C 2.076 176.645 174.700 -0.219 0.000 1.039 92 T CA 1.657 63.670 62.100 -0.145 0.000 1.153 92 T CB -0.345 68.326 68.868 -0.328 0.000 0.863 92 T HN 0.167 nan 8.240 nan 0.000 0.428 93 V N 1.414 121.167 119.914 -0.267 0.000 2.358 93 V HA -0.069 4.054 4.120 0.005 0.000 0.246 93 V C 2.482 178.559 176.094 -0.028 0.000 1.047 93 V CA 1.341 63.570 62.300 -0.118 0.000 1.035 93 V CB -0.681 31.097 31.823 -0.075 0.000 0.658 93 V HN 0.432 nan 8.190 nan 0.000 0.452 94 L N -0.633 120.536 121.223 -0.090 0.000 2.093 94 L HA -0.141 4.202 4.340 0.005 0.000 0.208 94 L C 2.790 179.622 176.870 -0.063 0.000 1.085 94 L CA 1.504 56.297 54.840 -0.078 0.000 0.755 94 L CB -0.616 41.364 42.059 -0.132 0.000 0.904 94 L HN 0.235 nan 8.230 nan 0.000 0.435 95 R N 0.046 120.496 120.500 -0.083 0.000 2.081 95 R HA -0.132 4.212 4.340 0.005 0.000 0.235 95 R C 2.454 178.757 176.300 0.004 0.000 1.131 95 R CA 1.322 57.388 56.100 -0.056 0.000 0.960 95 R CB -0.449 29.810 30.300 -0.069 0.000 0.856 95 R HN 0.351 nan 8.270 nan 0.000 0.436 96 A N 0.548 123.404 122.820 0.059 0.000 1.902 96 A HA -0.155 4.168 4.320 0.005 0.000 0.217 96 A C 2.241 179.860 177.584 0.058 0.000 1.181 96 A CA 1.712 53.813 52.037 0.107 0.000 0.623 96 A CB -0.459 18.702 19.000 0.267 0.000 0.818 96 A HN 0.214 nan 8.150 nan 0.000 0.443 97 S N -0.320 115.408 115.700 0.046 0.000 2.370 97 S HA -0.161 4.312 4.470 0.005 0.000 0.226 97 S C 1.918 176.523 174.600 0.008 0.000 1.033 97 S CA 1.624 59.839 58.200 0.024 0.000 1.011 97 S CB -0.257 62.951 63.200 0.014 0.000 0.852 97 S HN 0.618 nan 8.310 nan 0.000 0.457 98 K N 0.983 121.381 120.400 -0.003 0.000 2.211 98 K HA -0.090 4.233 4.320 0.005 0.000 0.204 98 K C 1.890 178.486 176.600 -0.006 0.000 1.047 98 K CA 0.980 57.261 56.287 -0.010 0.000 0.935 98 K CB -0.109 32.377 32.500 -0.022 0.000 0.728 98 K HN 0.307 nan 8.250 nan 0.000 0.452 99 K N 0.634 121.033 120.400 -0.001 0.000 2.283 99 K HA -0.142 4.181 4.320 0.005 0.000 0.202 99 K C 0.235 176.833 176.600 -0.003 0.000 1.048 99 K CA 0.880 57.166 56.287 -0.003 0.000 0.948 99 K CB -0.112 32.388 32.500 0.001 0.000 0.742 99 K HN 0.070 nan 8.250 nan 0.000 0.458 100 D N 0.099 120.498 120.400 -0.000 0.000 2.699 100 D HA -0.170 4.473 4.640 0.005 0.000 0.239 100 D C -0.569 175.730 176.300 -0.002 0.000 1.136 100 D CA 0.495 54.495 54.000 -0.001 0.000 0.668 100 D CB -1.085 39.713 40.800 -0.003 0.000 1.060 100 D HN 0.210 nan 8.370 nan 0.000 0.429 101 L N 0.452 121.674 121.223 -0.002 0.000 3.066 101 L HA 0.214 4.557 4.340 0.005 0.000 0.265 101 L C 0.693 177.559 176.870 -0.007 0.000 1.232 101 L CA -0.453 54.384 54.840 -0.005 0.000 1.031 101 L CB 0.342 42.397 42.059 -0.007 0.000 1.379 101 L HN -0.020 nan 8.230 nan 0.000 0.563 102 E N 0.377 120.575 120.200 -0.004 0.000 2.440 102 E HA -0.241 4.112 4.350 0.005 0.000 0.246 102 E C 1.059 177.652 176.600 -0.012 0.000 1.165 102 E CA 0.495 56.892 56.400 -0.005 0.000 0.726 102 E CB -1.595 28.102 29.700 -0.004 0.000 1.271 102 E HN 0.541 nan 8.360 nan 0.000 0.397 103 L N -0.986 120.228 121.223 -0.015 0.000 2.093 103 L HA -0.057 4.286 4.340 0.005 0.000 0.208 103 L C 1.591 178.435 176.870 -0.044 0.000 1.085 103 L CA 1.244 56.059 54.840 -0.042 0.000 0.755 103 L CB -0.446 41.587 42.059 -0.043 0.000 0.904 103 L HN 0.524 nan 8.230 nan 0.000 0.435 104 G N -0.774 108.025 108.800 -0.002 0.000 2.698 104 G HA2 0.206 4.169 3.960 0.005 0.000 0.225 104 G HA3 0.206 4.169 3.960 0.005 0.000 0.225 104 G C -0.031 174.916 174.900 0.079 0.000 1.345 104 G CA -0.436 44.667 45.100 0.005 0.000 0.871 104 G HN 0.879 nan 8.290 nan 0.000 0.540 105 G N -1.799 107.045 108.800 0.073 0.000 2.764 105 G HA2 0.562 4.526 3.960 0.005 0.000 0.678 105 G HA3 0.562 4.526 3.960 0.005 0.000 0.678 105 G C -0.860 174.140 174.900 0.165 0.000 1.341 105 G CA 0.407 45.678 45.100 0.286 0.000 0.836 105 G HN 1.859 nan 8.290 nan 0.000 0.632 106 H N 1.104 120.341 119.070 0.278 0.000 2.525 106 H HA 0.819 5.378 4.556 0.005 0.000 0.340 106 H C 1.259 176.711 175.328 0.207 0.000 1.168 106 H CA -0.856 55.341 56.048 0.247 0.000 1.247 106 H CB 1.703 31.664 29.762 0.332 0.000 1.568 106 H HN 0.477 nan 8.280 nan 0.000 0.536 107 M N -0.079 119.715 119.600 0.323 0.000 2.195 107 M HA 0.238 4.721 4.480 0.005 0.000 0.243 107 M C 1.978 178.444 176.300 0.277 0.000 1.313 107 M CA 0.592 56.044 55.300 0.254 0.000 1.077 107 M CB 0.571 33.270 32.600 0.164 0.000 1.664 107 M HN 0.664 nan 8.290 nan 0.000 0.584 108 A N -0.083 122.899 122.820 0.269 0.000 1.933 108 A HA -0.154 4.170 4.320 0.005 0.000 0.218 108 A C 2.173 179.916 177.584 0.266 0.000 1.175 108 A CA 2.397 54.585 52.037 0.252 0.000 0.628 108 A CB -0.800 18.337 19.000 0.228 0.000 0.814 108 A HN 0.427 nan 8.150 nan 0.000 0.444 109 S N -1.777 114.105 115.700 0.302 0.000 2.387 109 S HA -0.102 4.371 4.470 0.005 0.000 0.226 109 S C 1.707 176.463 174.600 0.260 0.000 1.026 109 S CA 1.317 59.678 58.200 0.269 0.000 0.972 109 S CB -0.475 62.895 63.200 0.284 0.000 0.814 109 S HN 0.575 nan 8.310 nan 0.000 0.477 110 F N 2.432 122.464 119.950 0.137 0.000 2.234 110 F HA 0.047 4.577 4.527 0.005 0.000 0.299 110 F C 2.385 178.287 175.800 0.170 0.000 1.087 110 F CA 1.357 59.432 58.000 0.125 0.000 1.340 110 F CB -0.595 38.444 39.000 0.065 0.000 1.031 110 F HN 0.192 nan 8.300 nan 0.000 0.500 111 Q N 0.176 120.002 119.800 0.043 0.000 2.124 111 Q HA -0.170 4.173 4.340 0.005 0.000 0.202 111 Q C 2.577 178.652 176.000 0.125 0.000 0.977 111 Q CA 1.847 57.666 55.803 0.028 0.000 0.850 111 Q CB -0.792 28.075 28.738 0.215 0.000 0.901 111 Q HN 0.586 nan 8.270 nan 0.000 0.429 112 S N -0.230 115.567 115.700 0.162 0.000 2.428 112 S HA -0.057 4.416 4.470 0.005 0.000 0.230 112 S C 1.905 176.491 174.600 -0.023 0.000 1.014 112 S CA 1.172 59.470 58.200 0.163 0.000 0.957 112 S CB -0.086 63.211 63.200 0.161 0.000 0.784 112 S HN 0.325 nan 8.310 nan 0.000 0.499 113 S N 0.347 116.050 115.700 0.005 0.000 2.539 113 S HA 0.590 5.063 4.470 0.005 0.000 0.221 113 S C 1.809 176.437 174.600 0.047 0.000 0.987 113 S CA 0.180 58.400 58.200 0.035 0.000 0.929 113 S CB -0.004 63.339 63.200 0.238 0.000 0.832 113 S HN 0.645 nan 8.310 nan 0.000 0.492 114 A N 2.500 125.169 122.820 -0.252 0.000 1.927 114 A HA -0.114 4.209 4.320 0.005 0.000 0.220 114 A C 2.299 179.881 177.584 -0.003 0.000 1.185 114 A CA 2.445 54.237 52.037 -0.407 0.000 0.639 114 A CB -1.766 16.751 19.000 -0.805 0.000 0.820 114 A HN 0.565 nan 8.150 nan 0.000 0.451 115 T N 0.032 114.574 114.554 -0.020 0.000 2.867 115 T HA -0.019 4.334 4.350 0.005 0.000 0.268 115 T C 1.752 176.490 174.700 0.063 0.000 1.057 115 T CA 1.313 63.442 62.100 0.047 0.000 1.136 115 T CB -0.376 68.507 68.868 0.025 0.000 0.874 115 T HN 0.453 nan 8.240 nan 0.000 0.466 116 I N -0.136 120.441 120.570 0.012 0.000 2.179 116 I HA -0.170 4.003 4.170 0.005 0.000 0.242 116 I C 2.137 178.221 176.117 -0.056 0.000 1.088 116 I CA 1.502 62.799 61.300 -0.004 0.000 1.357 116 I CB -0.408 37.585 38.000 -0.012 0.000 1.051 116 I HN 0.183 nan 8.210 nan 0.000 0.409 117 Y N 0.756 121.110 120.300 0.089 0.000 2.181 117 Y HA -0.299 4.254 4.550 0.005 0.000 0.288 117 Y C 2.332 178.322 175.900 0.149 0.000 1.146 117 Y CA 1.870 60.016 58.100 0.077 0.000 1.164 117 Y CB -0.664 38.002 38.460 0.343 0.000 0.982 117 Y HN 0.218 nan 8.280 nan 0.000 0.515 118 D N -0.444 120.179 120.400 0.372 0.000 2.104 118 D HA -0.171 4.472 4.640 0.005 0.000 0.194 118 D C 2.173 178.613 176.300 0.233 0.000 0.994 118 D CA 1.389 55.587 54.000 0.331 0.000 0.830 118 D CB -0.169 40.785 40.800 0.256 0.000 0.959 118 D HN 0.083 nan 8.370 nan 0.000 0.452 119 V N -0.278 119.743 119.914 0.178 0.000 2.343 119 V HA -0.288 3.835 4.120 0.005 0.000 0.247 119 V C 2.681 178.826 176.094 0.084 0.000 1.051 119 V CA 1.489 63.952 62.300 0.273 0.000 1.036 119 V CB -0.416 31.592 31.823 0.309 0.000 0.654 119 V HN 0.469 nan 8.190 nan 0.000 0.451 120 C N -0.830 118.262 119.300 -0.346 0.000 2.429 120 C HA -0.118 4.345 4.460 0.005 0.000 0.277 120 C C 2.493 176.999 174.990 -0.806 0.000 1.262 120 C CA 0.684 59.151 59.018 -0.919 0.000 1.733 120 C CB -1.194 25.364 27.740 -1.970 0.000 2.010 120 C HN 0.539 nan 8.230 nan 0.000 0.483 121 F N 1.613 121.364 119.950 -0.332 0.000 2.234 121 F HA -0.057 4.472 4.527 0.005 0.000 0.299 121 F C 2.306 178.035 175.800 -0.119 0.000 1.087 121 F CA 1.295 59.269 58.000 -0.044 0.000 1.340 121 F CB -0.515 38.557 39.000 0.119 0.000 1.031 121 F HN 0.294 nan 8.300 nan 0.000 0.500 122 N N -1.522 117.167 118.700 -0.019 0.000 2.416 122 N HA -0.066 4.677 4.740 0.005 0.000 0.177 122 N C 1.086 176.123 175.510 -0.789 0.000 1.036 122 N CA 0.994 53.830 53.050 -0.357 0.000 0.901 122 N CB -0.087 38.181 38.487 -0.365 0.000 0.976 122 N HN 0.385 nan 8.380 nan 0.000 0.444 123 H N -2.697 116.283 119.070 -0.150 0.000 3.535 123 H HA 0.230 4.789 4.556 0.005 0.000 0.260 123 H C 0.390 175.273 175.328 -0.742 0.000 1.173 123 H CA -0.038 55.767 56.048 -0.404 0.000 1.168 123 H CB 0.576 30.086 29.762 -0.421 0.000 1.568 123 H HN 0.091 nan 8.280 nan 0.000 0.602 124 F N -0.482 119.400 119.950 -0.114 0.000 2.455 124 F HA 0.188 4.718 4.527 0.005 0.000 0.278 124 F C 0.346 176.175 175.800 0.048 0.000 0.887 124 F CA -0.403 57.545 58.000 -0.087 0.000 1.104 124 F CB 0.062 38.912 39.000 -0.251 0.000 0.949 124 F HN -0.186 nan 8.300 nan 0.000 0.750 125 F N 3.462 123.446 119.950 0.057 0.000 2.557 125 F HA 0.197 4.727 4.527 0.005 0.000 0.384 125 F C 0.726 176.572 175.800 0.078 0.000 1.057 125 F CA -0.524 57.487 58.000 0.019 0.000 1.169 125 F CB -0.402 38.498 39.000 -0.167 0.000 1.070 125 F HN -0.248 nan 8.300 nan 0.000 0.554 126 R N 2.251 122.945 120.500 0.324 0.000 2.254 126 R HA 0.636 4.979 4.340 0.005 0.000 0.318 126 R C 0.097 176.502 176.300 0.176 0.000 1.031 126 R CA -0.617 55.622 56.100 0.231 0.000 0.905 126 R CB 1.041 31.473 30.300 0.221 0.000 1.050 126 R HN 0.722 nan 8.270 nan 0.000 0.456 127 A N 2.814 125.723 122.820 0.149 0.000 2.272 127 A HA 0.282 4.605 4.320 0.005 0.000 0.275 127 A C 0.058 177.679 177.584 0.061 0.000 1.096 127 A CA -0.582 51.514 52.037 0.099 0.000 0.822 127 A CB 0.417 19.457 19.000 0.067 0.000 1.088 127 A HN 0.821 nan 8.150 nan 0.000 0.495 128 R N 0.268 120.791 120.500 0.038 0.000 2.640 128 R HA 0.132 4.475 4.340 0.005 0.000 0.270 128 R C -0.148 176.138 176.300 -0.024 0.000 1.024 128 R CA 1.096 57.201 56.100 0.008 0.000 1.085 128 R CB -0.078 30.230 30.300 0.013 0.000 0.963 128 R HN 0.980 nan 8.270 nan 0.000 0.426 129 N N -0.008 118.639 118.700 -0.088 0.000 3.157 129 N HA 0.069 4.812 4.740 0.005 0.000 0.291 129 N C -0.283 175.165 175.510 -0.104 0.000 1.515 129 N CA -0.968 51.985 53.050 -0.161 0.000 0.807 129 N CB 0.753 38.910 38.487 -0.549 0.000 1.672 129 N HN 0.573 nan 8.380 nan 0.000 0.592 130 E N -1.214 118.931 120.200 -0.093 0.000 2.204 130 E HA -0.170 4.183 4.350 0.005 0.000 0.195 130 E C 0.718 177.294 176.600 -0.041 0.000 0.990 130 E CA 1.262 57.639 56.400 -0.038 0.000 0.821 130 E CB 0.129 29.823 29.700 -0.011 0.000 0.750 130 E HN 0.464 nan 8.360 nan 0.000 0.477 131 Q N 0.398 120.151 119.800 -0.078 0.000 2.250 131 Q HA 0.044 4.387 4.340 0.005 0.000 0.200 131 Q C 0.145 176.120 176.000 -0.042 0.000 0.941 131 Q CA 0.940 56.711 55.803 -0.053 0.000 0.872 131 Q CB 0.325 29.028 28.738 -0.059 0.000 0.965 131 Q HN 0.383 nan 8.270 nan 0.000 0.480 132 D N -3.253 117.113 120.400 -0.058 0.000 2.665 132 D HA 0.293 4.936 4.640 0.005 0.000 0.287 132 D C 0.421 176.709 176.300 -0.019 0.000 1.266 132 D CA -0.377 53.607 54.000 -0.026 0.000 0.830 132 D CB -0.003 40.785 40.800 -0.019 0.000 1.356 132 D HN -0.102 nan 8.370 nan 0.000 0.437 133 G N -1.202 107.607 108.800 0.015 0.000 2.776 133 G HA2 0.439 4.402 3.960 0.005 0.000 0.209 133 G HA3 0.439 4.402 3.960 0.005 0.000 0.209 133 G C 0.993 175.916 174.900 0.040 0.000 1.145 133 G CA 0.483 45.601 45.100 0.030 0.000 0.791 133 G HN 1.150 nan 8.290 nan 0.000 0.530 134 G N 0.007 108.824 108.800 0.029 0.000 2.693 134 G HA2 -0.210 3.754 3.960 0.005 0.000 0.226 134 G HA3 -0.210 3.754 3.960 0.005 0.000 0.226 134 G C -0.766 174.194 174.900 0.100 0.000 1.354 134 G CA -0.286 44.849 45.100 0.058 0.000 0.873 134 G HN 0.246 nan 8.290 nan 0.000 0.562 135 D N 0.391 120.876 120.400 0.141 0.000 2.345 135 D HA 0.443 5.086 4.640 0.005 0.000 0.247 135 D C 0.693 177.082 176.300 0.147 0.000 1.108 135 D CA 0.139 54.248 54.000 0.181 0.000 0.894 135 D CB 0.918 41.920 40.800 0.338 0.000 1.203 135 D HN 0.463 nan 8.370 nan 0.000 0.430 136 L N 2.011 123.335 121.223 0.170 0.000 2.272 136 L HA 0.285 4.628 4.340 0.005 0.000 0.284 136 L C -0.403 176.571 176.870 0.173 0.000 1.045 136 L CA -0.803 54.163 54.840 0.209 0.000 0.842 136 L CB 0.958 43.114 42.059 0.163 0.000 1.224 136 L HN -0.056 nan 8.230 nan 0.000 0.430 137 V N 3.448 123.407 119.914 0.076 0.000 2.350 137 V HA 0.191 4.314 4.120 0.005 0.000 0.276 137 V C -0.475 175.590 176.094 -0.047 0.000 1.028 137 V CA -0.472 61.741 62.300 -0.144 0.000 0.860 137 V CB 0.913 32.143 31.823 -0.989 0.000 0.990 137 V HN 0.398 nan 8.190 nan 0.000 0.453 138 Y N 4.999 125.310 120.300 0.019 0.000 2.714 138 Y HA 0.413 4.966 4.550 0.005 0.000 0.333 138 Y C 0.353 176.363 175.900 0.183 0.000 1.220 138 Y CA -0.959 57.227 58.100 0.144 0.000 1.513 138 Y CB -0.362 38.116 38.460 0.030 0.000 1.435 138 Y HN 0.499 nan 8.280 nan 0.000 0.489 139 F N 0.950 121.073 119.950 0.289 0.000 2.563 139 F HA -0.002 4.528 4.527 0.005 0.000 0.363 139 F C 1.106 177.006 175.800 0.166 0.000 1.123 139 F CA -0.110 58.011 58.000 0.202 0.000 1.307 139 F CB 0.450 39.504 39.000 0.090 0.000 1.115 139 F HN 0.333 nan 8.300 nan 0.000 0.592 140 Q N 2.392 122.426 119.800 0.390 0.000 2.247 140 Q HA 0.022 4.365 4.340 0.005 0.000 0.288 140 Q C 1.453 177.475 176.000 0.037 0.000 1.079 140 Q CA 0.396 56.318 55.803 0.199 0.000 0.932 140 Q CB 0.876 29.711 28.738 0.163 0.000 1.133 140 Q HN 0.983 nan 8.270 nan 0.000 0.377 141 G N 3.966 112.774 108.800 0.015 0.000 2.703 141 G HA2 -0.333 3.631 3.960 0.005 0.000 0.222 141 G HA3 -0.333 3.631 3.960 0.005 0.000 0.222 141 G C 0.812 175.709 174.900 -0.005 0.000 1.183 141 G CA 1.508 46.554 45.100 -0.090 0.000 0.775 141 G HN 0.970 nan 8.290 nan 0.000 0.615 142 H N -0.100 118.927 119.070 -0.072 0.000 2.505 142 H HA 0.292 4.851 4.556 0.005 0.000 0.286 142 H C 1.360 176.715 175.328 0.045 0.000 1.072 142 H CA 0.186 56.234 56.048 0.001 0.000 1.141 142 H CB -0.195 29.319 29.762 -0.415 0.000 1.550 142 H HN 0.534 nan 8.280 nan 0.000 0.547 143 I N -0.843 119.616 120.570 -0.185 0.000 3.941 143 I HA 0.197 4.370 4.170 0.005 0.000 0.335 143 I C 1.812 177.766 176.117 -0.271 0.000 1.402 143 I CA -0.150 61.081 61.300 -0.115 0.000 1.112 143 I CB 0.188 38.215 38.000 0.045 0.000 1.043 143 I HN 0.072 nan 8.210 nan 0.000 0.395 144 S N 1.226 116.825 115.700 -0.169 0.000 2.402 144 S HA -0.040 4.433 4.470 0.005 0.000 0.233 144 S C -0.381 173.953 174.600 -0.443 0.000 1.030 144 S CA 1.117 59.150 58.200 -0.279 0.000 1.003 144 S CB -2.048 61.047 63.200 -0.175 0.000 0.813 144 S HN 0.361 nan 8.310 nan 0.000 0.477 145 P HA 0.025 nan 4.420 nan 0.000 0.218 145 P C 1.815 178.808 177.300 -0.511 0.000 1.148 145 P CA 1.591 64.501 63.100 -0.317 0.000 0.822 145 P CB -0.664 30.855 31.700 -0.301 0.000 0.784 146 G N -0.698 107.499 108.800 -1.006 0.000 2.422 146 G HA2 -0.173 3.790 3.960 0.005 0.000 0.218 146 G HA3 -0.173 3.790 3.960 0.005 0.000 0.218 146 G C 1.533 175.932 174.900 -0.836 0.000 1.140 146 G CA 0.457 44.533 45.100 -1.707 0.000 0.775 146 G HN 0.154 nan 8.290 nan 0.000 0.545 147 V N -0.006 119.508 119.914 -0.667 0.000 2.379 147 V HA -0.120 4.003 4.120 0.005 0.000 0.245 147 V C 2.402 178.342 176.094 -0.256 0.000 1.044 147 V CA 1.100 63.118 62.300 -0.469 0.000 1.036 147 V CB -0.710 30.803 31.823 -0.517 0.000 0.664 147 V HN 0.355 nan 8.190 nan 0.000 0.453 148 Y N 0.971 121.153 120.300 -0.198 0.000 2.224 148 Y HA -0.133 4.420 4.550 0.005 0.000 0.289 148 Y C 2.565 178.355 175.900 -0.184 0.000 1.146 148 Y CA 0.790 58.768 58.100 -0.203 0.000 1.182 148 Y CB -1.340 36.994 38.460 -0.209 0.000 0.983 148 Y HN 0.199 nan 8.280 nan 0.000 0.524 149 A N 0.219 123.007 122.820 -0.054 0.000 1.902 149 A HA -0.213 4.111 4.320 0.005 0.000 0.217 149 A C 2.417 180.034 177.584 0.055 0.000 1.181 149 A CA 1.808 53.833 52.037 -0.019 0.000 0.623 149 A CB -0.712 18.265 19.000 -0.039 0.000 0.818 149 A HN 0.430 nan 8.150 nan 0.000 0.443 150 R N -0.292 120.176 120.500 -0.053 0.000 2.075 150 R HA -0.054 4.290 4.340 0.005 0.000 0.232 150 R C 2.236 178.485 176.300 -0.085 0.000 1.126 150 R CA 1.493 57.535 56.100 -0.097 0.000 0.963 150 R CB -0.455 29.663 30.300 -0.303 0.000 0.858 150 R HN 0.386 nan 8.270 nan 0.000 0.435 151 A N 0.635 123.421 122.820 -0.056 0.000 1.933 151 A HA -0.192 4.132 4.320 0.005 0.000 0.218 151 A C 1.992 179.572 177.584 -0.006 0.000 1.175 151 A CA 1.357 53.389 52.037 -0.008 0.000 0.628 151 A CB -0.822 18.247 19.000 0.116 0.000 0.814 151 A HN 0.582 nan 8.150 nan 0.000 0.444 152 F N 0.039 119.914 119.950 -0.126 0.000 2.102 152 F HA -0.128 4.402 4.527 0.005 0.000 0.298 152 F C 1.765 177.511 175.800 -0.092 0.000 1.105 152 F CA 1.728 59.639 58.000 -0.147 0.000 1.239 152 F CB -0.379 38.493 39.000 -0.214 0.000 0.991 152 F HN 0.161 nan 8.300 nan 0.000 0.474 153 L N 0.862 122.040 121.223 -0.075 0.000 2.131 153 L HA -0.163 4.180 4.340 0.005 0.000 0.210 153 L C 2.009 178.804 176.870 -0.126 0.000 1.092 153 L CA 1.778 56.547 54.840 -0.119 0.000 0.759 153 L CB -0.824 41.289 42.059 0.090 0.000 0.903 153 L HN 0.237 nan 8.230 nan 0.000 0.435 154 E N -1.071 119.039 120.200 -0.150 0.000 2.502 154 E HA 0.110 4.463 4.350 0.005 0.000 0.194 154 E C 1.308 177.837 176.600 -0.118 0.000 1.062 154 E CA 0.515 56.807 56.400 -0.180 0.000 0.867 154 E CB -0.089 29.466 29.700 -0.241 0.000 0.888 154 E HN 0.539 nan 8.360 nan 0.000 0.510 155 G N 1.829 110.517 108.800 -0.186 0.000 2.143 155 G HA2 -0.346 3.617 3.960 0.005 0.000 0.248 155 G HA3 -0.346 3.617 3.960 0.005 0.000 0.248 155 G C 0.864 175.660 174.900 -0.173 0.000 0.991 155 G CA 0.431 45.415 45.100 -0.193 0.000 0.689 155 G HN 0.259 nan 8.290 nan 0.000 0.522 156 R N -0.992 119.410 120.500 -0.163 0.000 2.210 156 R HA 0.363 4.706 4.340 0.005 0.000 0.203 156 R C 0.914 177.162 176.300 -0.086 0.000 1.010 156 R CA 0.520 56.551 56.100 -0.116 0.000 1.008 156 R CB 0.314 30.567 30.300 -0.079 0.000 0.923 156 R HN 0.432 nan 8.270 nan 0.000 0.469 157 L N 0.686 121.863 121.223 -0.076 0.000 2.370 157 L HA 0.333 4.676 4.340 0.005 0.000 0.266 157 L C 0.270 177.167 176.870 0.044 0.000 1.002 157 L CA -0.924 53.875 54.840 -0.068 0.000 0.818 157 L CB 2.210 44.195 42.059 -0.123 0.000 1.325 157 L HN 0.005 nan 8.230 nan 0.000 0.418 158 T N -2.717 111.846 114.554 0.015 0.000 2.881 158 T HA 0.134 4.487 4.350 0.005 0.000 0.278 158 T C 0.626 175.384 174.700 0.096 0.000 0.982 158 T CA -0.458 61.690 62.100 0.079 0.000 0.989 158 T CB 1.640 70.510 68.868 0.005 0.000 1.058 158 T HN 0.721 nan 8.240 nan 0.000 0.529 159 Q N -0.151 119.733 119.800 0.139 0.000 2.124 159 Q HA -0.180 4.163 4.340 0.005 0.000 0.202 159 Q C 2.113 178.039 176.000 -0.123 0.000 0.977 159 Q CA 1.709 57.445 55.803 -0.111 0.000 0.850 159 Q CB -0.150 28.624 28.738 0.060 0.000 0.901 159 Q HN 0.917 nan 8.270 nan 0.000 0.429 160 E N -0.073 120.101 120.200 -0.042 0.000 2.160 160 E HA -0.252 4.102 4.350 0.005 0.000 0.195 160 E C 1.934 178.486 176.600 -0.081 0.000 0.991 160 E CA 1.259 57.634 56.400 -0.041 0.000 0.810 160 E CB 0.083 29.767 29.700 -0.026 0.000 0.742 160 E HN 0.500 nan 8.360 nan 0.000 0.466 161 Q N 0.086 119.813 119.800 -0.121 0.000 2.046 161 Q HA -0.111 4.232 4.340 0.005 0.000 0.200 161 Q C 2.476 178.346 176.000 -0.216 0.000 0.975 161 Q CA 1.186 56.885 55.803 -0.173 0.000 0.836 161 Q CB -0.015 28.595 28.738 -0.213 0.000 0.896 161 Q HN 0.364 nan 8.270 nan 0.000 0.428 162 L N 0.872 121.916 121.223 -0.298 0.000 2.083 162 L HA -0.209 4.134 4.340 0.005 0.000 0.209 162 L C 1.524 178.330 176.870 -0.107 0.000 1.083 162 L CA 0.881 55.519 54.840 -0.335 0.000 0.752 162 L CB -0.405 41.205 42.059 -0.748 0.000 0.899 162 L HN 0.200 nan 8.230 nan 0.000 0.433 163 D N -0.133 120.233 120.400 -0.057 0.000 2.378 163 D HA -0.092 4.551 4.640 0.005 0.000 0.222 163 D C 0.961 177.275 176.300 0.024 0.000 0.980 163 D CA 0.780 54.803 54.000 0.037 0.000 0.907 163 D CB -0.092 40.735 40.800 0.045 0.000 0.899 163 D HN 0.301 nan 8.370 nan 0.000 0.527 164 N N 0.240 118.936 118.700 -0.006 0.000 2.401 164 N HA 0.004 4.747 4.740 0.005 0.000 0.264 164 N C -0.300 175.206 175.510 -0.006 0.000 1.238 164 N CA -0.376 52.668 53.050 -0.011 0.000 0.889 164 N CB 0.304 38.768 38.487 -0.038 0.000 1.196 164 N HN 0.066 nan 8.380 nan 0.000 0.511 165 F N 2.362 122.230 119.950 -0.136 0.000 2.578 165 F HA 0.044 4.574 4.527 0.005 0.000 0.381 165 F C 1.321 177.074 175.800 -0.078 0.000 1.069 165 F CA 0.394 58.308 58.000 -0.144 0.000 1.231 165 F CB 0.307 39.246 39.000 -0.101 0.000 1.086 165 F HN 0.165 nan 8.300 nan 0.000 0.564 166 R N 2.531 122.636 120.500 -0.658 0.000 3.878 166 R HA -0.220 4.123 4.340 0.005 0.000 0.330 166 R C -0.683 175.474 176.300 -0.239 0.000 1.186 166 R CA 1.173 56.943 56.100 -0.552 0.000 0.885 166 R CB -1.741 28.121 30.300 -0.729 0.000 1.377 166 R HN 0.804 nan 8.270 nan 0.000 0.523 167 Q N -0.176 119.536 119.800 -0.146 0.000 3.090 167 Q HA 0.139 4.482 4.340 0.005 0.000 0.241 167 Q C -0.124 175.857 176.000 -0.032 0.000 0.958 167 Q CA -0.274 55.493 55.803 -0.060 0.000 0.715 167 Q CB 1.274 29.999 28.738 -0.021 0.000 1.298 167 Q HN 0.285 nan 8.270 nan 0.000 0.468 168 E N 0.201 120.377 120.200 -0.040 0.000 2.340 168 E HA -0.041 4.312 4.350 0.005 0.000 0.194 168 E C 1.557 178.139 176.600 -0.031 0.000 0.996 168 E CA 0.357 56.736 56.400 -0.035 0.000 0.869 168 E CB 0.574 30.255 29.700 -0.032 0.000 0.835 168 E HN 0.208 nan 8.360 nan 0.000 0.493 169 V N 1.244 121.128 119.914 -0.049 0.000 2.392 169 V HA -0.246 3.877 4.120 0.005 0.000 0.249 169 V C 1.292 177.222 176.094 -0.274 0.000 1.059 169 V CA 1.935 64.136 62.300 -0.166 0.000 1.051 169 V CB -0.534 31.149 31.823 -0.234 0.000 0.658 169 V HN 0.313 nan 8.190 nan 0.000 0.455 170 H N -0.345 118.710 119.070 -0.025 0.000 2.533 170 H HA 0.467 5.026 4.556 0.005 0.000 0.271 170 H C 1.041 176.354 175.328 -0.025 0.000 1.000 170 H CA 0.526 56.560 56.048 -0.023 0.000 1.149 170 H CB -0.220 29.528 29.762 -0.023 0.000 1.375 170 H HN 0.529 nan 8.280 nan 0.000 0.582 171 G N 1.002 109.819 108.800 0.027 0.000 2.733 171 G HA2 -0.293 3.671 3.960 0.005 0.000 0.686 171 G HA3 -0.293 3.671 3.960 0.005 0.000 0.686 171 G C 0.038 174.938 174.900 -0.000 0.000 1.373 171 G CA -0.282 44.822 45.100 0.007 0.000 0.838 171 G HN 0.611 nan 8.290 nan 0.000 0.588 172 N N -1.089 117.594 118.700 -0.028 0.000 2.708 172 N HA -0.171 4.572 4.740 0.005 0.000 0.249 172 N C 0.834 176.302 175.510 -0.071 0.000 1.097 172 N CA 1.805 54.823 53.050 -0.053 0.000 0.710 172 N CB -0.895 37.569 38.487 -0.038 0.000 1.032 172 N HN 1.761 nan 8.380 nan 0.000 0.551 173 G N -0.157 108.599 108.800 -0.073 0.000 2.887 173 G HA2 0.746 4.709 3.960 0.005 0.000 0.277 173 G HA3 0.746 4.709 3.960 0.005 0.000 0.277 173 G C -0.559 174.245 174.900 -0.160 0.000 1.346 173 G CA -0.616 44.424 45.100 -0.100 0.000 1.058 173 G HN 0.136 nan 8.290 nan 0.000 0.535 174 L N 0.368 121.477 121.223 -0.189 0.000 2.385 174 L HA 0.392 4.735 4.340 0.005 0.000 0.273 174 L C 0.108 176.916 176.870 -0.103 0.000 0.990 174 L CA -0.768 53.917 54.840 -0.258 0.000 0.821 174 L CB 2.292 43.972 42.059 -0.631 0.000 1.279 174 L HN 0.419 nan 8.230 nan 0.000 0.412 175 S N 0.092 115.852 115.700 0.100 0.000 2.579 175 S HA 0.028 4.501 4.470 0.005 0.000 0.275 175 S C 1.263 175.901 174.600 0.064 0.000 1.345 175 S CA -0.171 58.109 58.200 0.132 0.000 1.031 175 S CB 1.413 64.803 63.200 0.317 0.000 0.892 175 S HN 0.837 nan 8.310 nan 0.000 0.529 176 S N 0.811 116.385 115.700 -0.211 0.000 2.382 176 S HA -0.082 4.391 4.470 0.005 0.000 0.228 176 S C 0.060 174.323 174.600 -0.561 0.000 1.027 176 S CA 1.051 58.902 58.200 -0.581 0.000 0.991 176 S CB -0.501 62.135 63.200 -0.939 0.000 0.823 176 S HN 0.694 nan 8.310 nan 0.000 0.469 177 Y N 0.287 120.542 120.300 -0.074 0.000 2.705 177 Y HA 0.580 5.133 4.550 0.005 0.000 0.332 177 Y C -3.039 172.229 175.900 -1.053 0.000 1.157 177 Y CA -3.203 54.618 58.100 -0.465 0.000 1.091 177 Y CB -0.024 38.197 38.460 -0.399 0.000 1.301 177 Y HN -0.203 nan 8.280 nan 0.000 0.488 178 P HA 0.123 nan 4.420 nan 0.000 0.268 178 P C -1.075 175.734 177.300 -0.818 0.000 1.282 178 P CA 0.651 62.735 63.100 -1.693 0.000 0.880 178 P CB -0.100 30.880 31.700 -1.201 0.000 0.971 179 H N 4.526 123.499 119.070 -0.160 0.000 2.791 179 H HA 0.205 4.764 4.556 0.005 0.000 0.272 179 H C -1.938 173.505 175.328 0.193 0.000 1.188 179 H CA -2.074 54.018 56.048 0.073 0.000 1.436 179 H CB 1.246 31.066 29.762 0.096 0.000 1.467 179 H HN 0.225 nan 8.280 nan 0.000 0.500 180 P HA -0.191 nan 4.420 nan 0.000 0.216 180 P C 1.820 179.220 177.300 0.167 0.000 1.150 180 P CA 1.262 64.488 63.100 0.210 0.000 0.837 180 P CB 0.649 32.406 31.700 0.095 0.000 0.786 181 K N 0.096 120.575 120.400 0.132 0.000 2.103 181 K HA -0.125 4.198 4.320 0.005 0.000 0.207 181 K C 1.789 178.442 176.600 0.087 0.000 1.048 181 K CA 1.550 57.883 56.287 0.075 0.000 0.930 181 K CB -1.078 31.428 32.500 0.010 0.000 0.716 181 K HN 0.106 nan 8.250 nan 0.000 0.444 182 L N -0.979 120.330 121.223 0.144 0.000 2.249 182 L HA 0.169 4.512 4.340 0.005 0.000 0.207 182 L C 0.874 177.837 176.870 0.154 0.000 1.090 182 L CA 0.446 55.368 54.840 0.137 0.000 0.802 182 L CB 0.004 42.166 42.059 0.171 0.000 0.947 182 L HN 0.115 nan 8.230 nan 0.000 0.453 183 M N 0.829 120.569 119.600 0.233 0.000 2.389 183 M HA 0.217 4.700 4.480 0.005 0.000 0.206 183 M C -1.830 174.594 176.300 0.206 0.000 0.976 183 M CA -1.237 54.192 55.300 0.215 0.000 0.648 183 M CB 1.686 34.474 32.600 0.312 0.000 1.474 183 M HN -0.235 nan 8.290 nan 0.000 0.398 184 P HA -0.147 nan 4.420 nan 0.000 0.223 184 P C 0.290 177.637 177.300 0.077 0.000 1.144 184 P CA 1.390 64.550 63.100 0.099 0.000 0.783 184 P CB 0.256 31.999 31.700 0.072 0.000 0.771 185 E N -2.959 117.294 120.200 0.088 0.000 2.498 185 E HA 0.118 4.471 4.350 0.005 0.000 0.203 185 E C 0.876 177.526 176.600 0.084 0.000 1.013 185 E CA -0.206 56.234 56.400 0.066 0.000 0.927 185 E CB 0.089 29.824 29.700 0.057 0.000 1.012 185 E HN 0.232 nan 8.360 nan 0.000 0.482 186 F N -0.544 119.350 119.950 -0.094 0.000 2.495 186 F HA 0.245 4.775 4.527 0.005 0.000 0.271 186 F C -0.090 175.566 175.800 -0.241 0.000 0.889 186 F CA -0.174 57.684 58.000 -0.235 0.000 1.129 186 F CB 0.298 39.073 39.000 -0.375 0.000 1.169 186 F HN -0.145 nan 8.300 nan 0.000 0.781 187 W N 2.023 123.392 121.300 0.116 0.000 2.184 187 W HA 0.336 4.999 4.660 0.005 0.000 0.338 187 W C 1.048 177.449 176.519 -0.197 0.000 1.257 187 W CA -0.197 57.118 57.345 -0.050 0.000 1.243 187 W CB 0.832 30.346 29.460 0.090 0.000 1.122 187 W HN 0.133 nan 8.180 nan 0.000 0.585 188 Q N 0.511 120.285 119.800 -0.044 0.000 2.471 188 Q HA 0.165 4.508 4.340 0.005 0.000 0.259 188 Q C -0.661 174.811 176.000 -0.881 0.000 0.850 188 Q CA 0.304 55.733 55.803 -0.623 0.000 0.981 188 Q CB 0.723 28.772 28.738 -1.148 0.000 1.180 188 Q HN 0.295 nan 8.270 nan 0.000 0.571 189 F N 2.116 122.046 119.950 -0.034 0.000 2.499 189 F HA 0.383 4.913 4.527 0.005 0.000 0.333 189 F C -2.402 173.374 175.800 -0.040 0.000 1.138 189 F CA -3.088 54.831 58.000 -0.135 0.000 0.945 189 F CB 1.388 40.035 39.000 -0.588 0.000 1.181 189 F HN -0.173 nan 8.300 nan 0.000 0.435 190 P HA 0.149 nan 4.420 nan 0.000 0.275 190 P C 0.421 177.818 177.300 0.161 0.000 1.276 190 P CA -0.095 63.081 63.100 0.127 0.000 0.782 190 P CB 0.983 32.812 31.700 0.214 0.000 0.851 191 T N -1.283 113.320 114.554 0.080 0.000 3.003 191 T HA 0.019 4.372 4.350 0.005 0.000 0.261 191 T C 1.429 176.143 174.700 0.024 0.000 1.003 191 T CA 0.101 62.265 62.100 0.108 0.000 0.917 191 T CB -0.367 68.590 68.868 0.148 0.000 1.084 191 T HN 0.067 nan 8.240 nan 0.000 0.522 192 V N 1.993 121.866 119.914 -0.068 0.000 2.720 192 V HA 0.072 4.196 4.120 0.005 0.000 0.256 192 V C 1.476 177.508 176.094 -0.103 0.000 1.082 192 V CA 1.389 63.573 62.300 -0.194 0.000 1.101 192 V CB -0.397 31.101 31.823 -0.541 0.000 0.693 192 V HN 0.585 nan 8.190 nan 0.000 0.479 193 S N 1.401 117.106 115.700 0.008 0.000 3.517 193 S HA 0.276 4.749 4.470 0.005 0.000 0.284 193 S C 0.322 174.938 174.600 0.026 0.000 1.260 193 S CA -0.383 57.837 58.200 0.032 0.000 0.975 193 S CB -0.723 62.534 63.200 0.094 0.000 1.540 193 S HN 0.495 nan 8.310 nan 0.000 0.506 194 M N 2.883 122.481 119.600 -0.004 0.000 2.245 194 M HA 0.183 4.666 4.480 0.005 0.000 0.335 194 M C 1.622 177.929 176.300 0.012 0.000 1.155 194 M CA 1.639 56.942 55.300 0.004 0.000 1.055 194 M CB 0.145 32.739 32.600 -0.010 0.000 1.670 194 M HN 0.814 nan 8.290 nan 0.000 0.447 195 G N 1.527 110.334 108.800 0.011 0.000 2.397 195 G HA2 -0.238 3.725 3.960 0.005 0.000 0.211 195 G HA3 -0.238 3.725 3.960 0.005 0.000 0.211 195 G C 0.602 175.518 174.900 0.027 0.000 1.077 195 G CA 0.145 45.254 45.100 0.014 0.000 0.649 195 G HN 0.614 nan 8.290 nan 0.000 0.511 196 L N 1.466 122.718 121.223 0.048 0.000 2.131 196 L HA 0.188 4.531 4.340 0.005 0.000 0.206 196 L C 3.099 180.017 176.870 0.080 0.000 1.087 196 L CA 1.540 56.425 54.840 0.074 0.000 0.767 196 L CB -0.877 41.245 42.059 0.106 0.000 0.917 196 L HN 0.411 nan 8.230 nan 0.000 0.441 197 G N 1.218 110.066 108.800 0.081 0.000 2.446 197 G HA2 -0.187 3.776 3.960 0.005 0.000 0.217 197 G HA3 -0.187 3.776 3.960 0.005 0.000 0.217 197 G C -0.541 174.272 174.900 -0.144 0.000 1.168 197 G CA 0.703 45.845 45.100 0.070 0.000 0.771 197 G HN 0.320 nan 8.290 nan 0.000 0.551 198 P HA -0.054 nan 4.420 nan 0.000 0.216 198 P C 2.020 179.375 177.300 0.092 0.000 1.153 198 P CA 0.711 63.677 63.100 -0.223 0.000 0.848 198 P CB -0.010 31.521 31.700 -0.281 0.000 0.787 199 I N -0.283 120.355 120.570 0.114 0.000 2.353 199 I HA -0.076 4.098 4.170 0.005 0.000 0.248 199 I C 2.270 178.510 176.117 0.205 0.000 1.119 199 I CA 1.485 62.913 61.300 0.214 0.000 1.417 199 I CB -0.686 37.418 38.000 0.173 0.000 1.078 199 I HN -0.100 nan 8.210 nan 0.000 0.421 200 G N 0.221 109.064 108.800 0.072 0.000 2.422 200 G HA2 -0.269 3.694 3.960 0.005 0.000 0.218 200 G HA3 -0.269 3.694 3.960 0.005 0.000 0.218 200 G C 1.729 176.550 174.900 -0.131 0.000 1.146 200 G CA 0.712 45.845 45.100 0.056 0.000 0.769 200 G HN 0.543 nan 8.290 nan 0.000 0.547 201 A N 0.767 123.297 122.820 -0.484 0.000 1.898 201 A HA 0.065 4.388 4.320 0.005 0.000 0.216 201 A C 2.392 179.871 177.584 -0.176 0.000 1.181 201 A CA 1.225 52.846 52.037 -0.693 0.000 0.620 201 A CB -0.360 18.199 19.000 -0.735 0.000 0.819 201 A HN 0.365 nan 8.150 nan 0.000 0.442 202 I N -1.885 118.687 120.570 0.004 0.000 2.163 202 I HA -0.316 3.858 4.170 0.005 0.000 0.243 202 I C 2.312 178.288 176.117 -0.236 0.000 1.085 202 I CA 1.679 62.923 61.300 -0.092 0.000 1.347 202 I CB -0.422 37.528 38.000 -0.083 0.000 1.044 202 I HN 0.418 nan 8.210 nan 0.000 0.408 203 Y N 0.126 120.422 120.300 -0.007 0.000 2.439 203 Y HA -0.225 4.328 4.550 0.005 0.000 0.292 203 Y C 2.615 178.540 175.900 0.042 0.000 1.130 203 Y CA 1.081 59.188 58.100 0.012 0.000 1.254 203 Y CB -0.308 38.150 38.460 -0.004 0.000 1.000 203 Y HN 0.215 nan 8.280 nan 0.000 0.554 204 Q N 0.624 120.489 119.800 0.109 0.000 2.049 204 Q HA -0.102 4.241 4.340 0.005 0.000 0.198 204 Q C 2.345 178.408 176.000 0.106 0.000 0.971 204 Q CA 1.735 57.612 55.803 0.124 0.000 0.833 204 Q CB -0.466 28.321 28.738 0.081 0.000 0.896 204 Q HN 0.343 nan 8.270 nan 0.000 0.434 205 A N 0.867 123.686 122.820 -0.001 0.000 1.908 205 A HA -0.234 4.089 4.320 0.005 0.000 0.218 205 A C 2.110 179.678 177.584 -0.026 0.000 1.181 205 A CA 1.875 53.886 52.037 -0.044 0.000 0.627 205 A CB -0.701 18.223 19.000 -0.127 0.000 0.818 205 A HN 0.431 nan 8.150 nan 0.000 0.445 206 K N -1.826 118.555 120.400 -0.032 0.000 2.097 206 K HA -0.149 4.174 4.320 0.005 0.000 0.206 206 K C 1.767 178.419 176.600 0.085 0.000 1.049 206 K CA 1.513 57.807 56.287 0.012 0.000 0.933 206 K CB -0.293 32.183 32.500 -0.040 0.000 0.717 206 K HN 0.398 nan 8.250 nan 0.000 0.442 207 F N 1.648 121.590 119.950 -0.014 0.000 2.186 207 F HA -0.115 4.415 4.527 0.005 0.000 0.299 207 F C 1.666 177.494 175.800 0.047 0.000 1.090 207 F CA 1.135 59.129 58.000 -0.010 0.000 1.307 207 F CB -0.064 38.931 39.000 -0.010 0.000 1.019 207 F HN -0.033 nan 8.300 nan 0.000 0.489 208 L N -0.202 121.039 121.223 0.030 0.000 2.046 208 L HA -0.230 4.114 4.340 0.005 0.000 0.208 208 L C 2.510 179.292 176.870 -0.147 0.000 1.077 208 L CA 1.167 55.972 54.840 -0.058 0.000 0.747 208 L CB -0.723 41.334 42.059 -0.002 0.000 0.896 208 L HN 0.009 nan 8.230 nan 0.000 0.432 209 K N -0.381 119.952 120.400 -0.112 0.000 2.097 209 K HA -0.221 4.102 4.320 0.005 0.000 0.206 209 K C 2.012 178.512 176.600 -0.167 0.000 1.049 209 K CA 1.452 57.633 56.287 -0.177 0.000 0.933 209 K CB -0.612 31.864 32.500 -0.039 0.000 0.717 209 K HN 0.280 nan 8.250 nan 0.000 0.442 210 Y N 1.480 121.603 120.300 -0.296 0.000 2.145 210 Y HA -0.226 4.327 4.550 0.005 0.000 0.286 210 Y C 2.024 177.664 175.900 -0.433 0.000 1.145 210 Y CA 1.173 58.955 58.100 -0.531 0.000 1.148 210 Y CB -0.333 37.586 38.460 -0.902 0.000 0.981 210 Y HN -0.134 nan 8.280 nan 0.000 0.507 211 L N 1.043 121.995 121.223 -0.451 0.000 2.042 211 L HA -0.211 4.132 4.340 0.005 0.000 0.210 211 L C 2.536 179.229 176.870 -0.294 0.000 1.076 211 L CA 2.261 56.844 54.840 -0.428 0.000 0.749 211 L CB -1.263 40.597 42.059 -0.331 0.000 0.893 211 L HN 0.496 nan 8.230 nan 0.000 0.432 212 E N -1.387 118.662 120.200 -0.253 0.000 2.046 212 E HA -0.220 4.133 4.350 0.005 0.000 0.190 212 E C 2.118 178.637 176.600 -0.135 0.000 0.982 212 E CA 1.164 57.443 56.400 -0.202 0.000 0.800 212 E CB -0.168 29.383 29.700 -0.248 0.000 0.756 212 E HN 0.636 nan 8.360 nan 0.000 0.449 213 H N -0.433 118.583 119.070 -0.089 0.000 2.421 213 H HA 0.034 4.593 4.556 0.005 0.000 0.298 213 H C 1.818 177.083 175.328 -0.104 0.000 1.087 213 H CA 0.919 56.947 56.048 -0.033 0.000 1.330 213 H CB 0.208 30.058 29.762 0.147 0.000 1.388 213 H HN 0.028 nan 8.280 nan 0.000 0.526 214 R N 0.112 120.529 120.500 -0.138 0.000 2.313 214 R HA 0.039 4.382 4.340 0.005 0.000 0.199 214 R C 0.949 177.159 176.300 -0.150 0.000 0.958 214 R CA 0.565 56.528 56.100 -0.229 0.000 1.047 214 R CB 0.516 30.492 30.300 -0.540 0.000 0.955 214 R HN 0.450 nan 8.270 nan 0.000 0.481 215 G N 1.262 109.996 108.800 -0.111 0.000 2.179 215 G HA2 -0.269 3.694 3.960 0.005 0.000 0.257 215 G HA3 -0.269 3.694 3.960 0.005 0.000 0.257 215 G C 0.608 175.454 174.900 -0.090 0.000 1.010 215 G CA 0.184 45.237 45.100 -0.079 0.000 0.736 215 G HN 0.308 nan 8.290 nan 0.000 0.513 216 L N -1.234 119.912 121.223 -0.129 0.000 2.249 216 L HA 0.407 4.750 4.340 0.005 0.000 0.207 216 L C 1.248 178.070 176.870 -0.079 0.000 1.090 216 L CA 1.328 56.104 54.840 -0.108 0.000 0.802 216 L CB 0.272 42.244 42.059 -0.145 0.000 0.947 216 L HN 0.279 nan 8.230 nan 0.000 0.453 217 K N -0.202 120.142 120.400 -0.092 0.000 2.569 217 K HA 0.092 4.415 4.320 0.005 0.000 0.259 217 K C -1.686 174.870 176.600 -0.073 0.000 0.932 217 K CA -0.648 55.601 56.287 -0.064 0.000 0.833 217 K CB 1.791 34.264 32.500 -0.046 0.000 1.340 217 K HN -0.271 nan 8.250 nan 0.000 0.429 218 D N 2.767 123.136 120.400 -0.052 0.000 2.374 218 D HA 0.049 4.692 4.640 0.005 0.000 0.240 218 D C 0.428 176.698 176.300 -0.050 0.000 1.229 218 D CA 0.116 54.084 54.000 -0.054 0.000 0.895 218 D CB 1.020 41.797 40.800 -0.037 0.000 1.046 218 D HN 0.565 nan 8.370 nan 0.000 0.498 219 T N -0.605 113.909 114.554 -0.067 0.000 3.134 219 T HA 0.003 4.356 4.350 0.005 0.000 0.260 219 T C 1.665 176.334 174.700 -0.052 0.000 1.027 219 T CA 0.235 62.304 62.100 -0.051 0.000 0.913 219 T CB -0.206 68.625 68.868 -0.061 0.000 1.046 219 T HN 0.209 nan 8.240 nan 0.000 0.553 220 S N 2.068 117.733 115.700 -0.058 0.000 2.440 220 S HA -0.086 4.387 4.470 0.005 0.000 0.238 220 S C 1.610 176.193 174.600 -0.027 0.000 1.010 220 S CA 0.558 58.726 58.200 -0.053 0.000 0.972 220 S CB -0.531 62.640 63.200 -0.050 0.000 0.774 220 S HN 0.601 nan 8.310 nan 0.000 0.501 221 K N 0.905 121.299 120.400 -0.010 0.000 2.417 221 K HA 0.218 4.541 4.320 0.005 0.000 0.196 221 K C 0.157 176.777 176.600 0.033 0.000 1.023 221 K CA 0.042 56.339 56.287 0.017 0.000 1.122 221 K CB 0.207 32.722 32.500 0.025 0.000 0.850 221 K HN 0.562 nan 8.250 nan 0.000 0.521 222 Q N 0.511 120.319 119.800 0.015 0.000 2.245 222 Q HA 0.252 4.595 4.340 0.005 0.000 0.256 222 Q C -0.722 175.277 176.000 -0.002 0.000 0.942 222 Q CA -0.239 55.582 55.803 0.030 0.000 0.896 222 Q CB 2.102 30.858 28.738 0.029 0.000 1.272 222 Q HN -0.105 nan 8.270 nan 0.000 0.442 223 T N 1.164 115.721 114.554 0.004 0.000 2.841 223 T HA 0.407 4.760 4.350 0.005 0.000 0.283 223 T C -0.645 173.969 174.700 -0.143 0.000 1.000 223 T CA -0.554 61.465 62.100 -0.135 0.000 0.977 223 T CB 1.400 70.131 68.868 -0.228 0.000 0.979 223 T HN 0.247 nan 8.240 nan 0.000 0.446 224 V N 3.862 123.657 119.914 -0.198 0.000 2.370 224 V HA 0.394 4.517 4.120 0.005 0.000 0.279 224 V C -1.118 174.883 176.094 -0.156 0.000 1.029 224 V CA -0.690 61.565 62.300 -0.074 0.000 0.870 224 V CB 0.302 32.094 31.823 -0.052 0.000 0.984 224 V HN 0.784 nan 8.190 nan 0.000 0.451 225 Y N 2.806 123.185 120.300 0.131 0.000 2.335 225 Y HA 0.688 5.242 4.550 0.005 0.000 0.338 225 Y C 0.411 176.395 175.900 0.140 0.000 0.977 225 Y CA -0.590 57.592 58.100 0.136 0.000 1.114 225 Y CB 1.913 40.551 38.460 0.298 0.000 1.182 225 Y HN 0.664 nan 8.280 nan 0.000 0.463 226 A N 4.562 127.469 122.820 0.145 0.000 2.267 226 A HA 0.650 4.973 4.320 0.005 0.000 0.315 226 A C -1.474 176.041 177.584 -0.116 0.000 1.297 226 A CA -0.505 51.527 52.037 -0.009 0.000 0.865 226 A CB -0.157 18.637 19.000 -0.342 0.000 1.165 226 A HN 0.616 nan 8.150 nan 0.000 0.513 227 F N 3.110 123.077 119.950 0.029 0.000 2.371 227 F HA 0.496 5.026 4.527 0.005 0.000 0.363 227 F C 0.164 175.956 175.800 -0.012 0.000 1.122 227 F CA 0.005 58.020 58.000 0.024 0.000 1.129 227 F CB 0.959 40.044 39.000 0.141 0.000 1.173 227 F HN 0.386 nan 8.300 nan 0.000 0.489 228 L N 2.376 123.592 121.223 -0.012 0.000 2.319 228 L HA 0.808 5.151 4.340 0.005 0.000 0.267 228 L C 0.544 177.419 176.870 0.009 0.000 1.011 228 L CA -1.194 53.618 54.840 -0.047 0.000 0.818 228 L CB 1.686 43.611 42.059 -0.223 0.000 1.316 228 L HN 0.585 nan 8.230 nan 0.000 0.432 229 G N -0.713 108.110 108.800 0.038 0.000 2.437 229 G HA2 0.330 4.293 3.960 0.005 0.000 0.319 229 G HA3 0.330 4.293 3.960 0.005 0.000 0.319 229 G C 0.082 174.989 174.900 0.013 0.000 1.158 229 G CA -0.304 44.834 45.100 0.063 0.000 0.899 229 G HN 0.783 nan 8.290 nan 0.000 0.502 230 D N 0.206 120.614 120.400 0.013 0.000 2.162 230 D HA -0.051 4.592 4.640 0.005 0.000 0.203 230 D C 2.176 178.482 176.300 0.011 0.000 0.967 230 D CA 1.080 55.077 54.000 -0.006 0.000 0.840 230 D CB -0.768 40.026 40.800 -0.011 0.000 0.972 230 D HN 0.483 nan 8.370 nan 0.000 0.482 231 G N 0.678 109.495 108.800 0.028 0.000 2.432 231 G HA2 -0.312 3.651 3.960 0.005 0.000 0.219 231 G HA3 -0.312 3.651 3.960 0.005 0.000 0.219 231 G C 1.427 176.337 174.900 0.016 0.000 1.135 231 G CA 0.725 45.840 45.100 0.025 0.000 0.767 231 G HN 0.502 nan 8.290 nan 0.000 0.550 232 E N -0.175 120.036 120.200 0.017 0.000 2.268 232 E HA -0.100 4.253 4.350 0.005 0.000 0.195 232 E C 2.060 178.661 176.600 0.002 0.000 0.995 232 E CA 0.494 56.899 56.400 0.008 0.000 0.836 232 E CB -0.135 29.573 29.700 0.014 0.000 0.763 232 E HN 0.243 nan 8.360 nan 0.000 0.491 233 M N 1.132 120.734 119.600 0.003 0.000 2.632 233 M HA -0.067 4.416 4.480 0.005 0.000 0.256 233 M C 0.751 177.061 176.300 0.017 0.000 1.080 233 M CA 0.967 56.277 55.300 0.016 0.000 1.084 233 M CB -0.543 32.074 32.600 0.028 0.000 1.439 233 M HN 0.059 nan 8.290 nan 0.000 0.509 234 D N 0.307 120.713 120.400 0.010 0.000 2.277 234 D HA -0.030 4.613 4.640 0.005 0.000 0.208 234 D C 0.466 176.768 176.300 0.003 0.000 0.962 234 D CA 0.504 54.508 54.000 0.006 0.000 0.865 234 D CB 0.175 40.978 40.800 0.006 0.000 0.939 234 D HN 0.232 nan 8.370 nan 0.000 0.510 235 E N 0.752 120.954 120.200 0.004 0.000 2.415 235 E HA -0.009 4.344 4.350 0.005 0.000 0.263 235 E C -1.607 174.995 176.600 0.002 0.000 0.995 235 E CA -1.189 55.213 56.400 0.003 0.000 0.915 235 E CB 0.853 30.556 29.700 0.005 0.000 0.951 235 E HN 0.090 nan 8.360 nan 0.000 0.449 236 P HA -0.162 nan 4.420 nan 0.000 0.218 236 P C 0.631 177.931 177.300 0.001 0.000 1.148 236 P CA 1.214 64.310 63.100 -0.006 0.000 0.822 236 P CB 0.358 32.053 31.700 -0.010 0.000 0.784 237 E N -1.100 119.106 120.200 0.010 0.000 2.268 237 E HA -0.085 4.268 4.350 0.005 0.000 0.195 237 E C 1.988 178.615 176.600 0.045 0.000 0.995 237 E CA 0.968 57.384 56.400 0.026 0.000 0.836 237 E CB -0.678 29.037 29.700 0.026 0.000 0.763 237 E HN 0.196 nan 8.360 nan 0.000 0.491 238 S N 0.451 116.171 115.700 0.033 0.000 2.368 238 S HA -0.078 4.395 4.470 0.005 0.000 0.224 238 S C 1.474 176.129 174.600 0.092 0.000 1.029 238 S CA 1.158 59.389 58.200 0.052 0.000 0.988 238 S CB 0.018 63.234 63.200 0.026 0.000 0.838 238 S HN 0.207 nan 8.310 nan 0.000 0.462 239 K N 0.115 120.522 120.400 0.013 0.000 2.373 239 K HA 0.214 4.537 4.320 0.005 0.000 0.200 239 K C 1.961 178.493 176.600 -0.113 0.000 1.054 239 K CA 0.366 56.591 56.287 -0.104 0.000 1.065 239 K CB 0.207 32.604 32.500 -0.172 0.000 0.886 239 K HN 0.307 nan 8.250 nan 0.000 0.546 240 G N 1.438 110.215 108.800 -0.039 0.000 2.501 240 G HA2 -0.213 3.750 3.960 0.005 0.000 0.220 240 G HA3 -0.213 3.750 3.960 0.005 0.000 0.220 240 G C 1.158 176.056 174.900 -0.002 0.000 1.114 240 G CA 1.043 46.127 45.100 -0.027 0.000 0.757 240 G HN 0.312 nan 8.290 nan 0.000 0.559 241 A N 0.165 123.005 122.820 0.033 0.000 2.571 241 A HA 0.416 4.739 4.320 0.005 0.000 0.274 241 A C 1.803 179.417 177.584 0.050 0.000 1.196 241 A CA 0.157 52.242 52.037 0.081 0.000 0.957 241 A CB -0.072 19.056 19.000 0.215 0.000 1.150 241 A HN 0.519 nan 8.150 nan 0.000 0.539 242 I N -3.736 116.812 120.570 -0.037 0.000 2.916 242 I HA -0.048 4.125 4.170 0.005 0.000 0.267 242 I C 1.613 177.834 176.117 0.173 0.000 1.263 242 I CA 1.712 62.988 61.300 -0.040 0.000 1.471 242 I CB -0.486 37.104 38.000 -0.684 0.000 1.089 242 I HN 0.023 nan 8.210 nan 0.000 0.468 243 T N 1.345 115.919 114.554 0.033 0.000 2.985 243 T HA 0.102 4.455 4.350 0.005 0.000 0.266 243 T C 1.832 176.542 174.700 0.018 0.000 1.076 243 T CA 0.827 62.951 62.100 0.040 0.000 1.135 243 T CB -0.060 68.801 68.868 -0.012 0.000 0.890 243 T HN 0.251 nan 8.240 nan 0.000 0.480 244 I N 1.703 122.271 120.570 -0.003 0.000 2.315 244 I HA -0.037 4.136 4.170 0.005 0.000 0.248 244 I C 2.812 178.841 176.117 -0.146 0.000 1.117 244 I CA 0.766 62.023 61.300 -0.072 0.000 1.404 244 I CB -1.643 36.286 38.000 -0.119 0.000 1.071 244 I HN 0.170 nan 8.210 nan 0.000 0.419 245 A N 0.270 122.992 122.820 -0.163 0.000 2.019 245 A HA -0.172 4.151 4.320 0.005 0.000 0.219 245 A C 2.422 179.768 177.584 -0.398 0.000 1.164 245 A CA 2.219 54.035 52.037 -0.367 0.000 0.644 245 A CB -0.869 17.743 19.000 -0.646 0.000 0.805 245 A HN 0.416 nan 8.150 nan 0.000 0.449 246 T N -0.770 113.626 114.554 -0.263 0.000 2.894 246 T HA -0.033 4.320 4.350 0.005 0.000 0.258 246 T C 2.041 176.652 174.700 -0.148 0.000 1.043 246 T CA 1.035 63.005 62.100 -0.217 0.000 1.141 246 T CB -0.159 68.650 68.868 -0.099 0.000 0.873 246 T HN 0.511 nan 8.240 nan 0.000 0.449 247 R N 1.204 121.638 120.500 -0.109 0.000 2.105 247 R HA -0.039 4.304 4.340 0.005 0.000 0.239 247 R C 1.844 178.084 176.300 -0.101 0.000 1.135 247 R CA 1.040 57.087 56.100 -0.088 0.000 0.967 247 R CB -0.085 30.177 30.300 -0.063 0.000 0.861 247 R HN 0.343 nan 8.270 nan 0.000 0.442 248 E N 0.595 120.724 120.200 -0.119 0.000 2.474 248 E HA 0.028 4.381 4.350 0.005 0.000 0.195 248 E C -0.262 176.269 176.600 -0.115 0.000 1.039 248 E CA 0.003 56.344 56.400 -0.099 0.000 0.881 248 E CB 0.354 30.005 29.700 -0.082 0.000 0.970 248 E HN 0.198 nan 8.360 nan 0.000 0.486 249 K N 0.926 121.229 120.400 -0.162 0.000 3.257 249 K HA -0.171 4.152 4.320 0.005 0.000 0.270 249 K C -0.256 176.225 176.600 -0.199 0.000 0.984 249 K CA 0.169 56.350 56.287 -0.176 0.000 0.739 249 K CB -1.794 30.639 32.500 -0.113 0.000 1.351 249 K HN 0.186 nan 8.250 nan 0.000 0.463 250 L N 1.985 123.037 121.223 -0.285 0.000 2.391 250 L HA 0.023 4.366 4.340 0.005 0.000 0.249 250 L C 1.058 177.729 176.870 -0.332 0.000 1.308 250 L CA -0.186 54.477 54.840 -0.295 0.000 1.209 250 L CB -0.393 41.458 42.059 -0.348 0.000 1.401 250 L HN 0.275 nan 8.230 nan 0.000 0.416 251 D N -0.853 119.398 120.400 -0.250 0.000 2.338 251 D HA -0.122 4.521 4.640 0.005 0.000 0.239 251 D C 0.992 177.169 176.300 -0.205 0.000 1.095 251 D CA 0.102 53.963 54.000 -0.231 0.000 0.888 251 D CB -0.127 40.571 40.800 -0.171 0.000 0.899 251 D HN 0.423 nan 8.370 nan 0.000 0.525 252 N N 0.094 118.669 118.700 -0.209 0.000 2.234 252 N HA 0.095 4.838 4.740 0.005 0.000 0.227 252 N C -0.411 174.961 175.510 -0.230 0.000 1.151 252 N CA -0.481 52.458 53.050 -0.186 0.000 0.865 252 N CB 0.279 38.683 38.487 -0.139 0.000 1.066 252 N HN 0.201 nan 8.380 nan 0.000 0.515 253 L N 0.447 121.502 121.223 -0.279 0.000 2.362 253 L HA 0.639 4.982 4.340 0.005 0.000 0.275 253 L C -1.400 175.305 176.870 -0.276 0.000 0.998 253 L CA -0.828 53.846 54.840 -0.277 0.000 0.820 253 L CB 2.177 44.044 42.059 -0.320 0.000 1.270 253 L HN -0.127 nan 8.230 nan 0.000 0.415 254 V N 5.484 125.284 119.914 -0.190 0.000 2.482 254 V HA 0.444 4.567 4.120 0.005 0.000 0.295 254 V C -0.791 175.402 176.094 0.165 0.000 1.026 254 V CA -0.472 61.773 62.300 -0.093 0.000 0.856 254 V CB 1.445 33.150 31.823 -0.197 0.000 1.001 254 V HN 0.488 nan 8.190 nan 0.000 0.424 255 F N 3.921 123.852 119.950 -0.031 0.000 2.404 255 F HA 0.582 5.112 4.527 0.005 0.000 0.345 255 F C 0.249 175.874 175.800 -0.291 0.000 1.110 255 F CA -1.058 56.877 58.000 -0.107 0.000 1.130 255 F CB 1.903 40.856 39.000 -0.078 0.000 1.129 255 F HN 0.177 nan 8.300 nan 0.000 0.500 256 V N 6.463 126.198 119.914 -0.299 0.000 2.304 256 V HA 0.349 4.472 4.120 0.005 0.000 0.278 256 V C 0.036 175.923 176.094 -0.346 0.000 1.018 256 V CA -0.592 61.433 62.300 -0.458 0.000 0.814 256 V CB 1.062 32.355 31.823 -0.883 0.000 1.021 256 V HN 0.445 nan 8.190 nan 0.000 0.440 257 I N 4.043 124.444 120.570 -0.281 0.000 2.312 257 I HA 0.328 4.502 4.170 0.005 0.000 0.290 257 I C 0.328 176.350 176.117 -0.157 0.000 1.008 257 I CA -0.413 60.760 61.300 -0.212 0.000 1.226 257 I CB 1.232 39.087 38.000 -0.241 0.000 1.371 257 I HN 0.471 nan 8.210 nan 0.000 0.468 258 N N 6.392 125.045 118.700 -0.079 0.000 2.402 258 N HA 0.075 4.818 4.740 0.005 0.000 0.259 258 N C -0.695 174.789 175.510 -0.042 0.000 1.167 258 N CA -0.223 52.798 53.050 -0.048 0.000 0.949 258 N CB 0.394 38.897 38.487 0.027 0.000 1.212 258 N HN 0.550 nan 8.380 nan 0.000 0.493 259 C N 4.249 123.506 119.300 -0.072 0.000 2.484 259 C HA 0.184 4.647 4.460 0.005 0.000 0.494 259 C C 1.313 176.321 174.990 0.030 0.000 1.052 259 C CA -0.864 58.127 59.018 -0.045 0.000 1.307 259 C CB -1.968 25.702 27.740 -0.116 0.000 1.464 259 C HN 0.713 nan 8.230 nan 0.000 0.564 260 N N 0.550 119.275 118.700 0.042 0.000 2.336 260 N HA 0.076 4.819 4.740 0.005 0.000 0.189 260 N C 0.655 176.220 175.510 0.093 0.000 1.113 260 N CA -0.089 53.004 53.050 0.071 0.000 0.858 260 N CB -0.193 38.344 38.487 0.084 0.000 0.970 260 N HN 0.299 nan 8.380 nan 0.000 0.471 261 L N -1.950 119.320 121.223 0.079 0.000 4.937 261 L HA -0.241 4.102 4.340 0.005 0.000 0.422 261 L C -0.328 176.586 176.870 0.073 0.000 1.059 261 L CA 1.142 56.029 54.840 0.078 0.000 1.111 261 L CB -2.584 39.542 42.059 0.112 0.000 2.033 261 L HN 0.613 nan 8.230 nan 0.000 0.708 262 Q N -0.623 119.223 119.800 0.076 0.000 2.347 262 Q HA 0.677 5.020 4.340 0.005 0.000 0.271 262 Q C 0.456 176.500 176.000 0.074 0.000 1.064 262 Q CA -0.817 55.032 55.803 0.076 0.000 0.800 262 Q CB 1.729 30.522 28.738 0.092 0.000 1.304 262 Q HN 0.327 nan 8.270 nan 0.000 0.438 263 R N 1.695 122.232 120.500 0.062 0.000 2.544 263 R HA 0.381 4.724 4.340 0.005 0.000 0.205 263 R C 0.416 176.754 176.300 0.064 0.000 1.324 263 R CA -0.758 55.375 56.100 0.056 0.000 1.008 263 R CB -0.542 29.780 30.300 0.037 0.000 2.138 263 R HN 0.513 nan 8.270 nan 0.000 0.514 264 L N 0.639 121.892 121.223 0.050 0.000 2.034 264 L HA -0.013 4.330 4.340 0.005 0.000 0.203 264 L C 1.093 177.999 176.870 0.060 0.000 1.074 264 L CA 1.962 56.839 54.840 0.061 0.000 0.748 264 L CB -0.846 41.243 42.059 0.049 0.000 0.905 264 L HN 0.567 nan 8.230 nan 0.000 0.439 265 D N -0.462 119.965 120.400 0.045 0.000 2.339 265 D HA 0.362 5.005 4.640 0.005 0.000 0.217 265 D C 0.699 177.022 176.300 0.038 0.000 1.050 265 D CA 0.794 54.818 54.000 0.040 0.000 0.856 265 D CB 0.505 41.323 40.800 0.031 0.000 0.922 265 D HN 0.432 nan 8.370 nan 0.000 0.518 266 G N 0.074 108.900 108.800 0.042 0.000 2.321 266 G HA2 0.247 4.210 3.960 0.005 0.000 0.296 266 G HA3 0.247 4.210 3.960 0.005 0.000 0.296 266 G C -3.033 171.894 174.900 0.044 0.000 1.287 266 G CA -0.936 44.188 45.100 0.040 0.000 0.846 266 G HN -0.250 nan 8.290 nan 0.000 0.508 267 P HA 0.272 nan 4.420 nan 0.000 0.274 267 P C 1.203 178.527 177.300 0.038 0.000 1.231 267 P CA -0.197 62.930 63.100 0.046 0.000 0.790 267 P CB 1.690 33.417 31.700 0.044 0.000 0.951 268 V N 1.571 121.508 119.914 0.040 0.000 2.255 268 V HA -0.135 3.988 4.120 0.005 0.000 0.247 268 V C 1.409 177.519 176.094 0.025 0.000 1.051 268 V CA 2.730 65.049 62.300 0.031 0.000 1.018 268 V CB -1.391 30.449 31.823 0.028 0.000 0.641 268 V HN 0.836 nan 8.190 nan 0.000 0.445 269 T N -2.851 111.720 114.554 0.028 0.000 3.198 269 T HA 0.474 4.827 4.350 0.005 0.000 0.352 269 T C 0.875 175.592 174.700 0.028 0.000 1.197 269 T CA 0.132 62.246 62.100 0.023 0.000 1.427 269 T CB 0.739 69.618 68.868 0.019 0.000 0.983 269 T HN 0.285 nan 8.240 nan 0.000 0.560 270 G N 2.183 110.999 108.800 0.026 0.000 2.450 270 G HA2 -0.184 3.779 3.960 0.005 0.000 0.220 270 G HA3 -0.184 3.779 3.960 0.005 0.000 0.220 270 G C 1.226 176.138 174.900 0.020 0.000 1.130 270 G CA 0.335 45.450 45.100 0.025 0.000 0.760 270 G HN 0.650 nan 8.290 nan 0.000 0.557 271 N N 0.844 119.553 118.700 0.015 0.000 2.268 271 N HA 0.152 4.895 4.740 0.005 0.000 0.204 271 N C 0.841 176.358 175.510 0.010 0.000 1.124 271 N CA 0.524 53.580 53.050 0.010 0.000 0.838 271 N CB 1.063 39.554 38.487 0.006 0.000 0.994 271 N HN 0.352 nan 8.380 nan 0.000 0.489 272 G N 0.050 108.859 108.800 0.016 0.000 3.222 272 G HA2 0.523 4.486 3.960 0.005 0.000 0.263 272 G HA3 0.523 4.486 3.960 0.005 0.000 0.263 272 G C -1.048 173.862 174.900 0.017 0.000 1.312 272 G CA -0.430 44.678 45.100 0.012 0.000 0.934 272 G HN -0.058 nan 8.290 nan 0.000 0.577 273 K N 0.446 120.851 120.400 0.008 0.000 2.664 273 K HA 0.250 4.573 4.320 0.005 0.000 0.234 273 K C 0.310 176.924 176.600 0.023 0.000 0.980 273 K CA -0.636 55.656 56.287 0.008 0.000 0.996 273 K CB 2.084 34.551 32.500 -0.055 0.000 1.190 273 K HN 0.255 nan 8.250 nan 0.000 0.479 274 I N 2.746 123.331 120.570 0.026 0.000 2.335 274 I HA -0.225 3.948 4.170 0.005 0.000 0.251 274 I C 1.442 177.556 176.117 -0.004 0.000 1.129 274 I CA 1.462 62.769 61.300 0.011 0.000 1.402 274 I CB -0.015 37.991 38.000 0.010 0.000 1.069 274 I HN 0.645 nan 8.210 nan 0.000 0.424 275 I N 0.208 120.776 120.570 -0.003 0.000 2.315 275 I HA -0.278 3.895 4.170 0.005 0.000 0.248 275 I C 1.954 178.064 176.117 -0.011 0.000 1.117 275 I CA 1.043 62.313 61.300 -0.051 0.000 1.404 275 I CB -0.533 37.389 38.000 -0.130 0.000 1.071 275 I HN 0.258 nan 8.210 nan 0.000 0.419 276 N N 0.579 119.311 118.700 0.053 0.000 2.216 276 N HA -0.195 4.548 4.740 0.005 0.000 0.183 276 N C 1.710 177.233 175.510 0.021 0.000 1.017 276 N CA 0.990 54.067 53.050 0.045 0.000 0.861 276 N CB -0.199 38.319 38.487 0.051 0.000 0.986 276 N HN 0.406 nan 8.380 nan 0.000 0.428 277 E N 0.697 120.907 120.200 0.017 0.000 2.051 277 E HA -0.125 4.228 4.350 0.005 0.000 0.192 277 E C 1.811 178.430 176.600 0.031 0.000 0.991 277 E CA 0.840 57.250 56.400 0.016 0.000 0.799 277 E CB -0.096 29.611 29.700 0.013 0.000 0.748 277 E HN 0.254 nan 8.360 nan 0.000 0.449 278 L N 0.743 121.982 121.223 0.027 0.000 2.046 278 L HA -0.177 4.166 4.340 0.005 0.000 0.208 278 L C 2.810 179.731 176.870 0.086 0.000 1.077 278 L CA 1.701 56.583 54.840 0.070 0.000 0.747 278 L CB -0.511 41.520 42.059 -0.047 0.000 0.896 278 L HN 0.312 nan 8.230 nan 0.000 0.432 279 E N 0.294 120.493 120.200 -0.001 0.000 2.085 279 E HA -0.205 4.148 4.350 0.005 0.000 0.194 279 E C 2.160 178.786 176.600 0.043 0.000 0.994 279 E CA 1.322 57.721 56.400 -0.001 0.000 0.801 279 E CB -0.200 29.484 29.700 -0.028 0.000 0.743 279 E HN 0.443 nan 8.360 nan 0.000 0.453 280 G N 1.528 110.347 108.800 0.032 0.000 2.421 280 G HA2 -0.271 3.692 3.960 0.005 0.000 0.216 280 G HA3 -0.271 3.692 3.960 0.005 0.000 0.216 280 G C 1.622 176.527 174.900 0.009 0.000 1.171 280 G CA 0.821 45.932 45.100 0.019 0.000 0.775 280 G HN 0.398 nan 8.290 nan 0.000 0.543 281 I N -1.158 119.414 120.570 0.004 0.000 2.406 281 I HA 0.051 4.224 4.170 0.005 0.000 0.249 281 I C 2.301 178.314 176.117 -0.173 0.000 1.122 281 I CA 0.700 61.948 61.300 -0.086 0.000 1.431 281 I CB 0.040 37.964 38.000 -0.128 0.000 1.087 281 I HN 0.141 nan 8.210 nan 0.000 0.424 282 F N 1.330 121.156 119.950 -0.207 0.000 2.186 282 F HA -0.195 4.335 4.527 0.005 0.000 0.299 282 F C 2.484 178.217 175.800 -0.112 0.000 1.090 282 F CA 1.666 59.476 58.000 -0.316 0.000 1.307 282 F CB -0.420 38.334 39.000 -0.410 0.000 1.019 282 F HN 0.112 nan 8.300 nan 0.000 0.489 283 E N 0.283 120.551 120.200 0.114 0.000 2.077 283 E HA -0.119 4.234 4.350 0.005 0.000 0.193 283 E C 2.449 179.079 176.600 0.049 0.000 0.989 283 E CA 1.577 58.029 56.400 0.086 0.000 0.800 283 E CB -0.874 28.856 29.700 0.050 0.000 0.746 283 E HN 0.254 nan 8.360 nan 0.000 0.452 284 G N -0.183 108.621 108.800 0.007 0.000 2.443 284 G HA2 -0.156 3.807 3.960 0.005 0.000 0.219 284 G HA3 -0.156 3.807 3.960 0.005 0.000 0.219 284 G C 1.487 176.377 174.900 -0.017 0.000 1.131 284 G CA 0.659 45.751 45.100 -0.013 0.000 0.775 284 G HN 0.420 nan 8.290 nan 0.000 0.547 285 A N -0.424 122.377 122.820 -0.031 0.000 2.238 285 A HA 0.477 4.801 4.320 0.005 0.000 0.208 285 A C 1.958 179.632 177.584 0.150 0.000 1.177 285 A CA 1.242 53.279 52.037 0.000 0.000 0.804 285 A CB -0.370 18.538 19.000 -0.152 0.000 0.823 285 A HN 1.519 nan 8.150 nan 0.000 0.482 286 G N -2.777 106.108 108.800 0.143 0.000 2.141 286 G HA2 -0.245 3.718 3.960 0.005 0.000 0.231 286 G HA3 -0.245 3.718 3.960 0.005 0.000 0.231 286 G C -0.148 174.853 174.900 0.170 0.000 0.984 286 G CA 0.060 45.230 45.100 0.117 0.000 0.660 286 G HN 0.358 nan 8.290 nan 0.000 0.525 287 W N 0.429 121.703 121.300 -0.043 0.000 2.183 287 W HA 0.636 5.299 4.660 0.006 0.000 0.348 287 W C 0.532 177.027 176.519 -0.041 0.000 1.257 287 W CA -0.853 56.472 57.345 -0.033 0.000 1.324 287 W CB 0.408 29.910 29.460 0.069 0.000 1.144 287 W HN 0.171 nan 8.180 nan 0.000 0.622 288 N N 0.731 119.526 118.700 0.157 0.000 2.419 288 N HA 0.360 5.103 4.740 0.005 0.000 0.264 288 N C -1.631 173.914 175.510 0.058 0.000 1.031 288 N CA -0.135 52.944 53.050 0.048 0.000 0.951 288 N CB 0.691 39.155 38.487 -0.038 0.000 1.101 288 N HN 0.118 nan 8.380 nan 0.000 0.488 289 V N 5.172 125.095 119.914 0.015 0.000 2.398 289 V HA 0.457 4.580 4.120 0.005 0.000 0.286 289 V C 0.195 176.228 176.094 -0.102 0.000 1.026 289 V CA -0.667 61.601 62.300 -0.052 0.000 0.868 289 V CB 1.017 32.812 31.823 -0.046 0.000 0.982 289 V HN 0.574 nan 8.190 nan 0.000 0.443 290 I N 5.059 125.533 120.570 -0.159 0.000 2.382 290 I HA 0.422 4.595 4.170 0.005 0.000 0.286 290 I C -0.002 175.984 176.117 -0.219 0.000 1.002 290 I CA -0.580 60.614 61.300 -0.177 0.000 1.135 290 I CB 1.500 39.377 38.000 -0.206 0.000 1.288 290 I HN 0.480 nan 8.210 nan 0.000 0.448 291 K N 5.637 125.913 120.400 -0.206 0.000 2.227 291 K HA 0.505 4.828 4.320 0.005 0.000 0.280 291 K C -0.769 175.671 176.600 -0.266 0.000 1.041 291 K CA -0.593 55.535 56.287 -0.266 0.000 0.905 291 K CB 2.412 34.740 32.500 -0.287 0.000 1.068 291 K HN 0.303 nan 8.250 nan 0.000 0.470 292 V N 5.589 125.324 119.914 -0.298 0.000 2.250 292 V HA 0.071 4.194 4.120 0.005 0.000 0.268 292 V C 0.714 176.594 176.094 -0.358 0.000 1.043 292 V CA -0.346 61.801 62.300 -0.255 0.000 0.814 292 V CB 0.729 32.434 31.823 -0.195 0.000 1.072 292 V HN 0.796 nan 8.190 nan 0.000 0.451 293 M N 1.277 120.571 119.600 -0.510 0.000 2.276 293 M HA 0.220 4.703 4.480 0.005 0.000 0.262 293 M C 0.282 175.959 176.300 -1.038 0.000 1.098 293 M CA 1.214 55.928 55.300 -0.976 0.000 1.167 293 M CB -0.119 31.652 32.600 -1.383 0.000 1.337 293 M HN 0.512 nan 8.290 nan 0.000 0.446 294 W N -0.124 121.064 121.300 -0.187 0.000 2.819 294 W HA 0.632 5.295 4.660 0.005 0.000 0.337 294 W C 0.579 177.125 176.519 0.045 0.000 1.077 294 W CA -1.245 55.973 57.345 -0.212 0.000 1.226 294 W CB 0.679 29.794 29.460 -0.576 0.000 1.419 294 W HN 0.131 nan 8.180 nan 0.000 0.502 295 G N 0.332 109.433 108.800 0.500 0.000 2.684 295 G HA2 0.155 4.118 3.960 0.005 0.000 0.255 295 G HA3 0.155 4.118 3.960 0.005 0.000 0.255 295 G C 0.687 175.859 174.900 0.454 0.000 1.219 295 G CA -0.426 44.924 45.100 0.417 0.000 0.901 295 G HN 0.541 nan 8.290 nan 0.000 0.548 296 S N -0.417 115.458 115.700 0.292 0.000 2.442 296 S HA -0.111 4.362 4.470 0.005 0.000 0.236 296 S C 2.361 177.113 174.600 0.254 0.000 1.007 296 S CA 0.843 59.187 58.200 0.241 0.000 0.965 296 S CB -0.157 63.130 63.200 0.146 0.000 0.773 296 S HN 0.566 nan 8.310 nan 0.000 0.504 297 R N -0.329 120.321 120.500 0.251 0.000 2.193 297 R HA -0.084 4.259 4.340 0.005 0.000 0.229 297 R C 1.445 177.866 176.300 0.202 0.000 1.110 297 R CA 1.137 57.336 56.100 0.164 0.000 0.988 297 R CB -0.267 30.075 30.300 0.071 0.000 0.871 297 R HN 0.512 nan 8.270 nan 0.000 0.458 298 W N 1.080 122.508 121.300 0.212 0.000 2.770 298 W HA 0.007 4.669 4.660 0.004 0.000 0.256 298 W C 1.494 178.097 176.519 0.141 0.000 1.291 298 W CA 0.065 57.505 57.345 0.158 0.000 1.396 298 W CB 0.036 29.557 29.460 0.102 0.000 1.114 298 W HN 0.006 nan 8.180 nan 0.000 0.637 299 D N 0.480 121.096 120.400 0.360 0.000 2.123 299 D HA -0.221 4.422 4.640 0.005 0.000 0.196 299 D C 1.811 178.234 176.300 0.205 0.000 0.992 299 D CA 1.473 55.624 54.000 0.252 0.000 0.833 299 D CB -0.432 40.486 40.800 0.197 0.000 0.954 299 D HN 0.301 nan 8.370 nan 0.000 0.455 300 E N -0.096 120.225 120.200 0.202 0.000 2.058 300 E HA -0.166 4.187 4.350 0.005 0.000 0.194 300 E C 2.127 178.831 176.600 0.173 0.000 0.997 300 E CA 0.490 56.996 56.400 0.177 0.000 0.801 300 E CB 0.040 29.860 29.700 0.200 0.000 0.746 300 E HN 0.068 nan 8.360 nan 0.000 0.450 301 L N 0.720 122.058 121.223 0.192 0.000 2.012 301 L HA -0.198 4.145 4.340 0.005 0.000 0.210 301 L C 2.442 179.394 176.870 0.137 0.000 1.073 301 L CA 1.437 56.349 54.840 0.120 0.000 0.748 301 L CB -1.002 41.099 42.059 0.070 0.000 0.891 301 L HN 0.211 nan 8.230 nan 0.000 0.431 302 L N -1.236 120.096 121.223 0.182 0.000 2.141 302 L HA -0.190 4.153 4.340 0.005 0.000 0.209 302 L C 2.723 179.659 176.870 0.110 0.000 1.094 302 L CA 1.004 55.932 54.840 0.147 0.000 0.763 302 L CB -0.418 41.738 42.059 0.162 0.000 0.908 302 L HN 0.268 nan 8.230 nan 0.000 0.437 303 R N 1.322 121.889 120.500 0.113 0.000 2.090 303 R HA -0.155 4.188 4.340 0.005 0.000 0.228 303 R C 2.167 178.510 176.300 0.071 0.000 1.110 303 R CA 1.453 57.606 56.100 0.088 0.000 0.973 303 R CB 0.013 30.367 30.300 0.091 0.000 0.869 303 R HN 0.395 nan 8.270 nan 0.000 0.440 304 K N -0.461 119.984 120.400 0.073 0.000 2.426 304 K HA -0.023 4.300 4.320 0.005 0.000 0.193 304 K C -0.132 176.493 176.600 0.043 0.000 1.028 304 K CA 0.515 56.836 56.287 0.056 0.000 1.047 304 K CB 0.143 32.679 32.500 0.060 0.000 0.821 304 K HN -0.070 nan 8.250 nan 0.000 0.513 305 D N 2.869 123.297 120.400 0.047 0.000 2.470 305 D HA -0.012 4.631 4.640 0.005 0.000 0.226 305 D C 0.847 177.161 176.300 0.024 0.000 1.196 305 D CA -0.009 54.010 54.000 0.032 0.000 0.979 305 D CB 0.994 41.818 40.800 0.039 0.000 1.059 305 D HN 0.292 nan 8.370 nan 0.000 0.515 306 T N -0.907 113.657 114.554 0.017 0.000 3.072 306 T HA -0.155 4.198 4.350 0.005 0.000 0.266 306 T C 1.814 176.513 174.700 -0.001 0.000 1.127 306 T CA 0.936 63.043 62.100 0.011 0.000 1.107 306 T CB -0.228 68.647 68.868 0.011 0.000 0.910 306 T HN 0.232 nan 8.240 nan 0.000 0.513 307 S N 0.823 116.516 115.700 -0.011 0.000 2.461 307 S HA 0.308 4.781 4.470 0.005 0.000 0.228 307 S C 2.161 176.735 174.600 -0.044 0.000 1.005 307 S CA 0.609 58.790 58.200 -0.031 0.000 0.942 307 S CB -0.976 62.198 63.200 -0.043 0.000 0.776 307 S HN 1.252 nan 8.310 nan 0.000 0.514 308 G N 1.441 110.223 108.800 -0.030 0.000 2.162 308 G HA2 -0.281 3.682 3.960 0.005 0.000 0.260 308 G HA3 -0.281 3.682 3.960 0.005 0.000 0.260 308 G C 0.948 175.806 174.900 -0.071 0.000 0.976 308 G CA 0.563 45.644 45.100 -0.031 0.000 0.655 308 G HN 0.434 nan 8.290 nan 0.000 0.533 309 K N -0.556 119.779 120.400 -0.108 0.000 2.103 309 K HA 0.152 4.475 4.320 0.005 0.000 0.204 309 K C 2.476 178.993 176.600 -0.139 0.000 1.052 309 K CA 1.291 57.453 56.287 -0.208 0.000 0.945 309 K CB -0.293 32.050 32.500 -0.262 0.000 0.722 309 K HN 0.472 nan 8.250 nan 0.000 0.443 310 L N 1.631 122.828 121.223 -0.043 0.000 2.046 310 L HA -0.108 4.236 4.340 0.005 0.000 0.208 310 L C 2.030 178.909 176.870 0.016 0.000 1.077 310 L CA 1.414 56.255 54.840 0.001 0.000 0.747 310 L CB -0.444 41.666 42.059 0.086 0.000 0.896 310 L HN 0.055 nan 8.230 nan 0.000 0.432 311 I N -0.887 119.701 120.570 0.030 0.000 2.179 311 I HA -0.333 3.840 4.170 0.005 0.000 0.242 311 I C 2.619 178.771 176.117 0.058 0.000 1.088 311 I CA 1.584 62.927 61.300 0.071 0.000 1.357 311 I CB -0.330 37.709 38.000 0.065 0.000 1.051 311 I HN 0.467 nan 8.210 nan 0.000 0.409 312 Q N 0.725 120.515 119.800 -0.017 0.000 2.061 312 Q HA -0.278 4.065 4.340 0.005 0.000 0.204 312 Q C 2.337 178.345 176.000 0.013 0.000 0.984 312 Q CA 1.970 57.752 55.803 -0.036 0.000 0.846 312 Q CB -0.157 28.490 28.738 -0.152 0.000 0.902 312 Q HN 0.431 nan 8.270 nan 0.000 0.421 313 L N 0.320 121.539 121.223 -0.005 0.000 2.012 313 L HA -0.191 4.152 4.340 0.005 0.000 0.210 313 L C 2.221 179.153 176.870 0.104 0.000 1.073 313 L CA 1.859 56.715 54.840 0.026 0.000 0.748 313 L CB -0.379 41.580 42.059 -0.167 0.000 0.891 313 L HN 0.311 nan 8.230 nan 0.000 0.431 314 M N -0.529 119.194 119.600 0.205 0.000 2.117 314 M HA -0.204 4.279 4.480 0.005 0.000 0.262 314 M C 1.978 178.464 176.300 0.310 0.000 1.065 314 M CA 1.704 57.299 55.300 0.493 0.000 1.114 314 M CB -0.617 32.311 32.600 0.546 0.000 1.361 314 M HN 0.331 nan 8.290 nan 0.000 0.408 315 N N 0.800 119.607 118.700 0.178 0.000 2.069 315 N HA -0.187 4.556 4.740 0.005 0.000 0.191 315 N C 1.522 177.024 175.510 -0.014 0.000 1.031 315 N CA 1.794 54.875 53.050 0.051 0.000 0.852 315 N CB -0.467 38.062 38.487 0.070 0.000 1.018 315 N HN 0.608 nan 8.380 nan 0.000 0.423 316 E N -0.340 119.883 120.200 0.040 0.000 2.285 316 E HA -0.000 4.353 4.350 0.005 0.000 0.194 316 E C -0.053 176.561 176.600 0.024 0.000 0.997 316 E CA 0.432 56.850 56.400 0.030 0.000 0.845 316 E CB -0.326 29.409 29.700 0.059 0.000 0.782 316 E HN -0.040 nan 8.360 nan 0.000 0.491 317 T N 2.792 117.375 114.554 0.047 0.000 2.888 317 T HA 0.230 4.583 4.350 0.005 0.000 0.301 317 T C 0.290 174.996 174.700 0.011 0.000 1.001 317 T CA -0.224 61.866 62.100 -0.016 0.000 1.147 317 T CB 1.346 70.125 68.868 -0.148 0.000 0.931 317 T HN 0.208 nan 8.240 nan 0.000 0.541 318 V N 0.947 120.854 119.914 -0.011 0.000 3.134 318 V HA 0.394 4.517 4.120 0.005 0.000 0.313 318 V C 1.029 177.211 176.094 0.148 0.000 1.069 318 V CA -0.743 61.587 62.300 0.049 0.000 1.048 318 V CB 0.938 32.769 31.823 0.013 0.000 1.119 318 V HN 0.620 nan 8.190 nan 0.000 0.461 319 D N 2.631 123.128 120.400 0.162 0.000 2.116 319 D HA -0.123 4.520 4.640 0.005 0.000 0.193 319 D C 2.094 178.472 176.300 0.131 0.000 0.998 319 D CA 2.297 56.418 54.000 0.201 0.000 0.836 319 D CB -0.705 40.163 40.800 0.115 0.000 0.951 319 D HN 0.885 nan 8.370 nan 0.000 0.449 320 G N 0.795 109.620 108.800 0.043 0.000 2.469 320 G HA2 -0.272 3.691 3.960 0.005 0.000 0.219 320 G HA3 -0.272 3.691 3.960 0.005 0.000 0.219 320 G C 1.338 176.174 174.900 -0.106 0.000 1.150 320 G CA 1.050 46.142 45.100 -0.013 0.000 0.763 320 G HN 0.178 nan 8.290 nan 0.000 0.561 321 D N -0.361 119.928 120.400 -0.186 0.000 2.144 321 D HA -0.058 4.585 4.640 0.005 0.000 0.200 321 D C 2.117 177.873 176.300 -0.907 0.000 0.978 321 D CA 0.620 54.327 54.000 -0.488 0.000 0.833 321 D CB -0.269 40.289 40.800 -0.404 0.000 0.961 321 D HN 0.375 nan 8.370 nan 0.000 0.470 322 Y N 1.496 121.561 120.300 -0.391 0.000 2.224 322 Y HA -0.151 4.402 4.550 0.006 0.000 0.289 322 Y C 2.559 178.402 175.900 -0.096 0.000 1.146 322 Y CA 0.980 58.992 58.100 -0.147 0.000 1.182 322 Y CB -0.183 38.389 38.460 0.185 0.000 0.983 322 Y HN -0.048 nan 8.280 nan 0.000 0.524 323 Q N -0.777 119.066 119.800 0.072 0.000 2.119 323 Q HA -0.123 4.220 4.340 0.005 0.000 0.201 323 Q C 2.231 178.228 176.000 -0.004 0.000 0.972 323 Q CA 1.720 57.564 55.803 0.068 0.000 0.847 323 Q CB -0.847 27.926 28.738 0.058 0.000 0.903 323 Q HN 0.430 nan 8.270 nan 0.000 0.433 324 T N 1.261 115.723 114.554 -0.152 0.000 2.746 324 T HA -0.103 4.250 4.350 0.005 0.000 0.267 324 T C 1.501 176.152 174.700 -0.081 0.000 1.039 324 T CA 1.032 63.030 62.100 -0.171 0.000 1.142 324 T CB -0.259 68.462 68.868 -0.246 0.000 0.866 324 T HN 0.127 nan 8.240 nan 0.000 0.444 325 F N 2.322 122.329 119.950 0.094 0.000 2.095 325 F HA -0.054 4.475 4.527 0.004 0.000 0.298 325 F C 2.229 178.189 175.800 0.267 0.000 1.104 325 F CA 0.878 58.989 58.000 0.185 0.000 1.232 325 F CB -0.994 38.149 39.000 0.239 0.000 0.987 325 F HN 0.278 nan 8.300 nan 0.000 0.475 326 K N 0.414 121.048 120.400 0.391 0.000 2.360 326 K HA -0.102 4.222 4.320 0.005 0.000 0.201 326 K C 1.539 178.351 176.600 0.353 0.000 1.046 326 K CA 1.479 57.958 56.287 0.321 0.000 0.945 326 K CB -0.633 31.984 32.500 0.195 0.000 0.750 326 K HN 0.269 nan 8.250 nan 0.000 0.464 327 S N -1.076 114.756 115.700 0.220 0.000 2.575 327 S HA 0.178 4.651 4.470 0.005 0.000 0.215 327 S C 0.737 175.368 174.600 0.051 0.000 0.966 327 S CA -0.580 57.694 58.200 0.123 0.000 0.911 327 S CB 0.123 63.338 63.200 0.024 0.000 0.780 327 S HN 0.095 nan 8.310 nan 0.000 0.514 328 K N 1.710 122.147 120.400 0.062 0.000 3.169 328 K HA 0.500 4.823 4.320 0.005 0.000 0.251 328 K C -0.324 176.035 176.600 -0.401 0.000 0.992 328 K CA -0.096 56.094 56.287 -0.162 0.000 1.643 328 K CB -0.390 31.849 32.500 -0.434 0.000 2.979 328 K HN 0.505 nan 8.250 nan 0.000 0.905 329 D N -2.959 117.124 120.400 -0.528 0.000 2.759 329 D HA 0.227 4.870 4.640 0.005 0.000 0.321 329 D C 0.976 177.009 176.300 -0.444 0.000 1.267 329 D CA -0.337 52.950 54.000 -1.188 0.000 0.933 329 D CB 0.043 40.427 40.800 -0.693 0.000 1.431 329 D HN 0.327 nan 8.370 nan 0.000 0.504 330 G N -0.162 108.450 108.800 -0.314 0.000 2.440 330 G HA2 -0.132 3.831 3.960 0.005 0.000 0.218 330 G HA3 -0.132 3.831 3.960 0.005 0.000 0.218 330 G C 1.388 176.391 174.900 0.172 0.000 1.154 330 G CA 1.984 47.196 45.100 0.186 0.000 0.767 330 G HN 0.738 nan 8.290 nan 0.000 0.552 331 A N -0.076 122.794 122.820 0.084 0.000 1.877 331 A HA -0.061 4.262 4.320 0.005 0.000 0.216 331 A C 2.224 179.909 177.584 0.169 0.000 1.186 331 A CA 1.748 53.845 52.037 0.101 0.000 0.620 331 A CB -0.737 18.299 19.000 0.060 0.000 0.822 331 A HN 0.458 nan 8.150 nan 0.000 0.443 332 Y N 0.555 120.926 120.300 0.119 0.000 2.165 332 Y HA -0.205 4.346 4.550 0.003 0.000 0.286 332 Y C 2.426 178.508 175.900 0.304 0.000 1.155 332 Y CA 2.012 60.265 58.100 0.255 0.000 1.164 332 Y CB -0.285 38.297 38.460 0.202 0.000 0.978 332 Y HN 0.078 nan 8.280 nan 0.000 0.513 333 V N 0.839 121.023 119.914 0.450 0.000 2.343 333 V HA -0.302 3.821 4.120 0.005 0.000 0.247 333 V C 2.530 178.784 176.094 0.266 0.000 1.051 333 V CA 2.222 64.690 62.300 0.279 0.000 1.036 333 V CB -0.737 31.288 31.823 0.337 0.000 0.654 333 V HN 0.365 nan 8.190 nan 0.000 0.451 334 R N 0.059 120.723 120.500 0.273 0.000 2.091 334 R HA -0.254 4.090 4.340 0.005 0.000 0.238 334 R C 2.330 178.691 176.300 0.102 0.000 1.136 334 R CA 2.336 58.572 56.100 0.226 0.000 0.959 334 R CB -0.170 30.193 30.300 0.105 0.000 0.856 334 R HN 0.719 nan 8.270 nan 0.000 0.437 335 E N -1.038 119.153 120.200 -0.015 0.000 2.060 335 E HA -0.156 4.197 4.350 0.005 0.000 0.189 335 E C 1.502 177.911 176.600 -0.319 0.000 0.974 335 E CA 1.063 57.337 56.400 -0.210 0.000 0.808 335 E CB 0.031 29.520 29.700 -0.351 0.000 0.768 335 E HN 0.540 nan 8.360 nan 0.000 0.453 336 H N -1.693 117.280 119.070 -0.161 0.000 2.525 336 H HA 0.095 4.654 4.556 0.004 0.000 0.275 336 H C 0.942 176.281 175.328 0.018 0.000 0.984 336 H CA 1.070 57.061 56.048 -0.095 0.000 1.264 336 H CB 0.292 29.967 29.762 -0.145 0.000 1.432 336 H HN 0.182 nan 8.280 nan 0.000 0.549 337 F N -0.735 119.094 119.950 -0.201 0.000 2.478 337 F HA 0.099 4.628 4.527 0.004 0.000 0.260 337 F C 1.302 176.920 175.800 -0.303 0.000 0.974 337 F CA 0.127 57.888 58.000 -0.399 0.000 1.075 337 F CB -0.653 37.803 39.000 -0.907 0.000 1.165 337 F HN -0.083 nan 8.300 nan 0.000 0.692 338 F N 1.194 121.085 119.950 -0.098 0.000 2.250 338 F HA 0.001 4.531 4.527 0.005 0.000 0.301 338 F C 2.563 178.259 175.800 -0.173 0.000 1.077 338 F CA 1.381 59.268 58.000 -0.188 0.000 1.348 338 F CB -1.345 37.596 39.000 -0.099 0.000 1.040 338 F HN 0.180 nan 8.300 nan 0.000 0.509 339 G N -0.573 108.228 108.800 0.001 0.000 2.776 339 G HA2 -0.124 3.840 3.960 0.005 0.000 0.209 339 G HA3 -0.124 3.840 3.960 0.005 0.000 0.209 339 G C 1.737 176.531 174.900 -0.176 0.000 1.145 339 G CA 0.109 45.162 45.100 -0.079 0.000 0.791 339 G HN 0.101 nan 8.290 nan 0.000 0.530 340 K N -0.416 119.820 120.400 -0.273 0.000 2.283 340 K HA 0.032 4.355 4.320 0.005 0.000 0.202 340 K C -0.396 175.748 176.600 -0.760 0.000 1.048 340 K CA 0.610 56.584 56.287 -0.522 0.000 0.948 340 K CB -0.003 32.104 32.500 -0.655 0.000 0.742 340 K HN 0.428 nan 8.250 nan 0.000 0.458 341 Y N -1.157 119.086 120.300 -0.095 0.000 2.534 341 Y HA 0.207 4.761 4.550 0.007 0.000 0.345 341 Y C -1.900 173.969 175.900 -0.051 0.000 1.031 341 Y CA -2.521 55.538 58.100 -0.070 0.000 1.022 341 Y CB 1.825 40.239 38.460 -0.077 0.000 1.292 341 Y HN -0.197 nan 8.280 nan 0.000 0.459 342 P HA -0.174 nan 4.420 nan 0.000 0.215 342 P C 1.141 178.471 177.300 0.050 0.000 1.153 342 P CA 1.931 65.065 63.100 0.055 0.000 0.853 342 P CB 0.418 32.143 31.700 0.042 0.000 0.788 343 E N -0.276 119.961 120.200 0.062 0.000 2.106 343 E HA -0.142 4.211 4.350 0.005 0.000 0.192 343 E C 1.664 178.285 176.600 0.035 0.000 0.984 343 E CA 2.053 58.469 56.400 0.027 0.000 0.806 343 E CB -1.888 27.811 29.700 -0.002 0.000 0.750 343 E HN 0.333 nan 8.360 nan 0.000 0.458 344 T N -0.586 114.018 114.554 0.083 0.000 2.904 344 T HA 0.192 4.545 4.350 0.005 0.000 0.267 344 T C 2.189 176.952 174.700 0.106 0.000 1.059 344 T CA 1.064 63.235 62.100 0.118 0.000 1.137 344 T CB -0.208 68.739 68.868 0.131 0.000 0.879 344 T HN 0.253 nan 8.240 nan 0.000 0.467 345 A N 1.947 124.804 122.820 0.061 0.000 1.933 345 A HA 0.343 4.666 4.320 0.005 0.000 0.218 345 A C 2.804 180.349 177.584 -0.065 0.000 1.175 345 A CA 1.695 53.736 52.037 0.007 0.000 0.628 345 A CB -1.359 17.641 19.000 -0.001 0.000 0.814 345 A HN 0.705 nan 8.150 nan 0.000 0.444 346 A N -0.091 122.704 122.820 -0.042 0.000 1.933 346 A HA -0.056 4.267 4.320 0.005 0.000 0.218 346 A C 2.104 179.628 177.584 -0.100 0.000 1.175 346 A CA 1.467 53.472 52.037 -0.053 0.000 0.628 346 A CB -0.629 18.358 19.000 -0.022 0.000 0.814 346 A HN 0.494 nan 8.150 nan 0.000 0.444 347 L N -0.372 120.766 121.223 -0.141 0.000 2.127 347 L HA -0.144 4.199 4.340 0.005 0.000 0.211 347 L C 1.977 178.556 176.870 -0.485 0.000 1.089 347 L CA 1.525 56.227 54.840 -0.231 0.000 0.757 347 L CB -0.379 41.556 42.059 -0.206 0.000 0.899 347 L HN 0.464 nan 8.230 nan 0.000 0.434 348 V N -5.354 114.173 119.914 -0.645 0.000 3.380 348 V HA 0.404 4.527 4.120 0.005 0.000 0.307 348 V C 2.062 177.973 176.094 -0.305 0.000 1.434 348 V CA 0.346 62.107 62.300 -0.897 0.000 1.075 348 V CB -0.052 30.951 31.823 -1.367 0.000 0.954 348 V HN 0.147 nan 8.190 nan 0.000 0.444 349 A N 2.425 125.147 122.820 -0.163 0.000 1.948 349 A HA -0.237 4.086 4.320 0.005 0.000 0.220 349 A C 1.737 179.340 177.584 0.032 0.000 1.177 349 A CA 2.270 54.277 52.037 -0.050 0.000 0.636 349 A CB -0.584 18.396 19.000 -0.034 0.000 0.815 349 A HN 0.813 nan 8.150 nan 0.000 0.449 350 D N -2.824 117.642 120.400 0.110 0.000 2.395 350 D HA 0.112 4.755 4.640 0.005 0.000 0.226 350 D C -0.385 176.044 176.300 0.214 0.000 1.146 350 D CA -0.407 53.676 54.000 0.138 0.000 0.830 350 D CB -0.315 40.547 40.800 0.103 0.000 0.958 350 D HN 0.451 nan 8.370 nan 0.000 0.501 351 W N 1.805 123.044 121.300 -0.102 0.000 2.516 351 W HA 0.391 5.054 4.660 0.005 0.000 0.343 351 W C 0.901 177.375 176.519 -0.074 0.000 1.094 351 W CA -0.867 56.415 57.345 -0.104 0.000 1.250 351 W CB 1.131 30.491 29.460 -0.166 0.000 1.308 351 W HN -0.213 nan 8.180 nan 0.000 0.588 352 T N -1.755 112.876 114.554 0.128 0.000 2.816 352 T HA 0.114 4.467 4.350 0.005 0.000 0.282 352 T C 0.667 175.448 174.700 0.134 0.000 0.993 352 T CA -0.410 61.742 62.100 0.087 0.000 0.994 352 T CB 1.045 69.934 68.868 0.036 0.000 1.025 352 T HN 0.338 nan 8.240 nan 0.000 0.529 353 D N 0.268 120.730 120.400 0.102 0.000 2.178 353 D HA -0.035 4.608 4.640 0.005 0.000 0.202 353 D C 1.923 178.331 176.300 0.180 0.000 0.974 353 D CA 0.969 55.045 54.000 0.126 0.000 0.841 353 D CB -0.118 40.725 40.800 0.073 0.000 0.953 353 D HN 0.647 nan 8.370 nan 0.000 0.478 354 E N 0.663 120.947 120.200 0.140 0.000 2.106 354 E HA -0.117 4.236 4.350 0.005 0.000 0.192 354 E C 2.104 178.823 176.600 0.198 0.000 0.984 354 E CA 0.761 57.264 56.400 0.172 0.000 0.806 354 E CB -0.140 29.616 29.700 0.093 0.000 0.750 354 E HN 0.388 nan 8.360 nan 0.000 0.458 355 Q N -0.209 119.678 119.800 0.145 0.000 2.123 355 Q HA -0.038 4.305 4.340 0.005 0.000 0.199 355 Q C 2.191 178.386 176.000 0.324 0.000 0.966 355 Q CA 0.889 56.759 55.803 0.111 0.000 0.845 355 Q CB -0.047 28.643 28.738 -0.081 0.000 0.907 355 Q HN 0.330 nan 8.270 nan 0.000 0.439 356 I N -0.195 120.606 120.570 0.386 0.000 2.252 356 I HA -0.265 3.908 4.170 0.005 0.000 0.245 356 I C 2.134 178.438 176.117 0.312 0.000 1.102 356 I CA 1.037 62.518 61.300 0.302 0.000 1.385 356 I CB -0.360 37.766 38.000 0.210 0.000 1.064 356 I HN 0.472 nan 8.210 nan 0.000 0.414 357 W N 1.703 123.078 121.300 0.124 0.000 2.392 357 W HA -0.184 4.480 4.660 0.006 0.000 0.279 357 W C 2.316 178.901 176.519 0.108 0.000 1.225 357 W CA 1.037 58.452 57.345 0.117 0.000 1.233 357 W CB 0.195 29.712 29.460 0.096 0.000 1.122 357 W HN 0.139 nan 8.180 nan 0.000 0.561 358 A N 0.600 123.489 122.820 0.116 0.000 2.119 358 A HA -0.001 4.322 4.320 0.005 0.000 0.217 358 A C 1.047 178.623 177.584 -0.013 0.000 1.153 358 A CA 0.356 52.398 52.037 0.009 0.000 0.692 358 A CB -0.817 18.207 19.000 0.040 0.000 0.799 358 A HN 0.170 nan 8.150 nan 0.000 0.458 359 L N 1.202 122.411 121.223 -0.023 0.000 2.540 359 L HA 0.027 4.370 4.340 0.005 0.000 0.276 359 L C 0.285 177.270 176.870 0.192 0.000 1.212 359 L CA -0.028 54.765 54.840 -0.078 0.000 0.893 359 L CB -0.035 41.757 42.059 -0.446 0.000 1.138 359 L HN 0.329 nan 8.230 nan 0.000 0.491 360 N N 2.268 121.233 118.700 0.442 0.000 2.509 360 N HA 0.434 5.177 4.740 0.005 0.000 0.280 360 N C -0.881 174.966 175.510 0.561 0.000 1.306 360 N CA -0.808 52.487 53.050 0.408 0.000 0.782 360 N CB 1.762 40.401 38.487 0.253 0.000 1.493 360 N HN 0.376 nan 8.380 nan 0.000 0.498 361 R N -0.428 120.246 120.500 0.291 0.000 2.490 361 R HA 0.282 4.625 4.340 0.005 0.000 0.280 361 R C 1.313 177.641 176.300 0.047 0.000 1.077 361 R CA -0.072 56.047 56.100 0.032 0.000 1.065 361 R CB 0.385 30.478 30.300 -0.346 0.000 1.003 361 R HN 0.751 nan 8.270 nan 0.000 0.470 362 G N 1.801 110.556 108.800 -0.074 0.000 2.469 362 G HA2 -0.272 3.691 3.960 0.005 0.000 0.220 362 G HA3 -0.272 3.691 3.960 0.005 0.000 0.220 362 G C 1.279 176.124 174.900 -0.093 0.000 1.136 362 G CA 0.864 45.934 45.100 -0.050 0.000 0.759 362 G HN 0.757 nan 8.290 nan 0.000 0.562 363 G N -1.086 107.584 108.800 -0.217 0.000 2.708 363 G HA2 -0.053 3.910 3.960 0.005 0.000 0.210 363 G HA3 -0.053 3.910 3.960 0.005 0.000 0.210 363 G C 1.190 175.818 174.900 -0.452 0.000 1.141 363 G CA 0.476 45.388 45.100 -0.314 0.000 0.788 363 G HN 0.578 nan 8.290 nan 0.000 0.531 364 H N -0.790 118.199 119.070 -0.136 0.000 2.755 364 H HA 0.123 4.682 4.556 0.005 0.000 0.273 364 H C -0.482 174.818 175.328 -0.047 0.000 1.055 364 H CA -0.252 55.689 56.048 -0.179 0.000 1.191 364 H CB 1.115 30.680 29.762 -0.328 0.000 1.536 364 H HN 0.256 nan 8.280 nan 0.000 0.529 365 D N 1.485 121.925 120.400 0.067 0.000 2.441 365 D HA 0.146 4.789 4.640 0.005 0.000 0.231 365 D C -1.927 174.394 176.300 0.034 0.000 1.073 365 D CA -2.209 51.831 54.000 0.068 0.000 0.850 365 D CB 2.325 43.185 40.800 0.101 0.000 1.062 365 D HN -0.026 nan 8.370 nan 0.000 0.524 366 P HA -0.155 nan 4.420 nan 0.000 0.216 366 P C 1.019 178.306 177.300 -0.023 0.000 1.150 366 P CA 1.334 64.405 63.100 -0.049 0.000 0.843 366 P CB 0.412 31.943 31.700 -0.281 0.000 0.787 367 K N -0.421 119.912 120.400 -0.112 0.000 2.057 367 K HA -0.102 4.221 4.320 0.005 0.000 0.206 367 K C 1.911 178.631 176.600 0.201 0.000 1.050 367 K CA 1.091 57.413 56.287 0.057 0.000 0.935 367 K CB -0.213 32.296 32.500 0.015 0.000 0.715 367 K HN 0.071 nan 8.250 nan 0.000 0.439 368 K N 0.928 121.410 120.400 0.136 0.000 2.103 368 K HA -0.017 4.306 4.320 0.005 0.000 0.204 368 K C 2.106 178.787 176.600 0.135 0.000 1.052 368 K CA 0.986 57.345 56.287 0.121 0.000 0.945 368 K CB -0.255 32.289 32.500 0.074 0.000 0.722 368 K HN 0.185 nan 8.250 nan 0.000 0.443 369 I N 0.028 120.702 120.570 0.172 0.000 2.142 369 I HA -0.312 3.861 4.170 0.005 0.000 0.240 369 I C 2.430 178.769 176.117 0.371 0.000 1.078 369 I CA 1.260 62.702 61.300 0.236 0.000 1.343 369 I CB -0.395 37.744 38.000 0.231 0.000 1.046 369 I HN 0.017 nan 8.210 nan 0.000 0.405 370 Y N 1.747 122.250 120.300 0.338 0.000 2.114 370 Y HA -0.358 4.194 4.550 0.005 0.000 0.282 370 Y C 2.532 178.628 175.900 0.327 0.000 1.165 370 Y CA 1.695 60.056 58.100 0.434 0.000 1.148 370 Y CB -0.399 38.346 38.460 0.475 0.000 0.972 370 Y HN 0.149 nan 8.280 nan 0.000 0.504 371 A N 0.315 123.327 122.820 0.320 0.000 1.908 371 A HA -0.176 4.147 4.320 0.005 0.000 0.218 371 A C 2.415 180.003 177.584 0.007 0.000 1.181 371 A CA 2.086 54.221 52.037 0.164 0.000 0.627 371 A CB -1.523 17.578 19.000 0.168 0.000 0.818 371 A HN 0.630 nan 8.150 nan 0.000 0.445 372 A N -1.296 121.508 122.820 -0.027 0.000 1.873 372 A HA 0.037 4.360 4.320 0.005 0.000 0.215 372 A C 1.965 179.354 177.584 -0.325 0.000 1.186 372 A CA 1.450 53.374 52.037 -0.189 0.000 0.616 372 A CB -0.720 18.119 19.000 -0.267 0.000 0.823 372 A HN 0.465 nan 8.150 nan 0.000 0.442 373 F N -0.195 119.527 119.950 -0.381 0.000 2.234 373 F HA -0.059 4.471 4.527 0.005 0.000 0.299 373 F C 2.270 177.714 175.800 -0.592 0.000 1.087 373 F CA 1.696 59.284 58.000 -0.686 0.000 1.340 373 F CB -0.034 38.129 39.000 -1.396 0.000 1.031 373 F HN 0.093 nan 8.300 nan 0.000 0.500 374 K N 0.866 121.146 120.400 -0.200 0.000 2.057 374 K HA -0.170 4.153 4.320 0.005 0.000 0.206 374 K C 2.000 178.583 176.600 -0.029 0.000 1.050 374 K CA 1.234 57.514 56.287 -0.013 0.000 0.935 374 K CB -0.183 32.255 32.500 -0.104 0.000 0.715 374 K HN -0.090 nan 8.250 nan 0.000 0.439 375 K N 0.207 120.562 120.400 -0.074 0.000 2.057 375 K HA 0.028 4.351 4.320 0.005 0.000 0.207 375 K C 1.766 178.311 176.600 -0.092 0.000 1.049 375 K CA 1.518 57.765 56.287 -0.067 0.000 0.931 375 K CB -0.593 31.861 32.500 -0.077 0.000 0.714 375 K HN 0.153 nan 8.250 nan 0.000 0.440 376 A N 0.587 123.318 122.820 -0.149 0.000 1.940 376 A HA -0.239 4.084 4.320 0.005 0.000 0.219 376 A C 2.167 179.689 177.584 -0.104 0.000 1.176 376 A CA 1.844 53.786 52.037 -0.159 0.000 0.631 376 A CB -0.673 18.184 19.000 -0.237 0.000 0.814 376 A HN 0.585 nan 8.150 nan 0.000 0.446 377 Q N -0.124 119.645 119.800 -0.052 0.000 2.226 377 Q HA -0.205 4.138 4.340 0.005 0.000 0.204 377 Q C 1.622 177.620 176.000 -0.004 0.000 0.975 377 Q CA 1.660 57.470 55.803 0.011 0.000 0.866 377 Q CB -0.081 28.730 28.738 0.122 0.000 0.915 377 Q HN 0.928 nan 8.270 nan 0.000 0.440 378 E N -1.226 118.964 120.200 -0.017 0.000 2.481 378 E HA 0.084 4.437 4.350 0.005 0.000 0.198 378 E C -0.313 176.262 176.600 -0.042 0.000 1.027 378 E CA -0.015 56.374 56.400 -0.018 0.000 0.900 378 E CB 0.425 30.122 29.700 -0.004 0.000 0.993 378 E HN -0.049 nan 8.360 nan 0.000 0.482 379 T N 2.440 116.955 114.554 -0.065 0.000 2.749 379 T HA 0.221 4.574 4.350 0.005 0.000 0.295 379 T C -0.234 174.408 174.700 -0.097 0.000 0.936 379 T CA -0.468 61.584 62.100 -0.081 0.000 1.060 379 T CB 0.910 69.718 68.868 -0.100 0.000 0.904 379 T HN -0.023 nan 8.240 nan 0.000 0.500 380 K N 1.283 121.631 120.400 -0.087 0.000 2.295 380 K HA 0.683 5.006 4.320 0.005 0.000 0.239 380 K C 1.218 177.755 176.600 -0.105 0.000 0.991 380 K CA -0.682 55.548 56.287 -0.094 0.000 0.845 380 K CB 1.545 34.004 32.500 -0.069 0.000 1.197 380 K HN 0.714 nan 8.250 nan 0.000 0.441 381 G N 0.714 109.446 108.800 -0.114 0.000 2.225 381 G HA2 -0.301 3.662 3.960 0.005 0.000 0.254 381 G HA3 -0.301 3.662 3.960 0.005 0.000 0.254 381 G C -0.099 174.703 174.900 -0.163 0.000 0.988 381 G CA 1.064 46.094 45.100 -0.117 0.000 0.625 381 G HN 0.667 nan 8.290 nan 0.000 0.527 382 K N -1.334 118.938 120.400 -0.214 0.000 2.615 382 K HA 0.791 5.114 4.320 0.005 0.000 0.291 382 K C -0.268 176.074 176.600 -0.430 0.000 1.017 382 K CA -0.464 55.629 56.287 -0.324 0.000 0.882 382 K CB 0.793 33.132 32.500 -0.268 0.000 1.522 382 K HN 1.241 nan 8.250 nan 0.000 0.412 383 A N 0.782 123.158 122.820 -0.740 0.000 2.271 383 A HA 0.598 4.921 4.320 0.005 0.000 0.288 383 A C -0.558 176.689 177.584 -0.563 0.000 1.094 383 A CA -0.307 51.211 52.037 -0.865 0.000 0.828 383 A CB 0.786 18.796 19.000 -1.650 0.000 1.091 383 A HN 0.586 nan 8.150 nan 0.000 0.493 384 T N 0.374 114.743 114.554 -0.308 0.000 2.829 384 T HA 0.507 4.860 4.350 0.005 0.000 0.280 384 T C -0.927 173.840 174.700 0.112 0.000 0.999 384 T CA -0.316 61.747 62.100 -0.061 0.000 0.983 384 T CB 1.379 70.158 68.868 -0.149 0.000 0.968 384 T HN 0.915 nan 8.240 nan 0.000 0.446 385 V N 5.035 125.018 119.914 0.115 0.000 2.448 385 V HA 0.637 4.760 4.120 0.005 0.000 0.295 385 V C -1.013 174.934 176.094 -0.244 0.000 1.025 385 V CA -0.893 61.354 62.300 -0.089 0.000 0.859 385 V CB 0.955 32.476 31.823 -0.503 0.000 0.988 385 V HN 0.842 nan 8.190 nan 0.000 0.431 386 I N 7.464 127.845 120.570 -0.315 0.000 2.339 386 I HA 0.381 4.555 4.170 0.005 0.000 0.290 386 I C -0.459 175.446 176.117 -0.354 0.000 0.994 386 I CA -0.440 60.630 61.300 -0.383 0.000 1.191 386 I CB 1.550 39.208 38.000 -0.570 0.000 1.343 386 I HN 0.419 nan 8.210 nan 0.000 0.458 387 L N 7.014 128.042 121.223 -0.326 0.000 2.272 387 L HA 0.520 4.863 4.340 0.005 0.000 0.284 387 L C 0.345 177.042 176.870 -0.290 0.000 1.045 387 L CA -0.446 54.211 54.840 -0.305 0.000 0.842 387 L CB 0.901 42.777 42.059 -0.305 0.000 1.224 387 L HN 0.628 nan 8.230 nan 0.000 0.430 388 A N 2.889 125.560 122.820 -0.249 0.000 2.260 388 A HA 0.234 4.558 4.320 0.005 0.000 0.312 388 A C -0.323 177.154 177.584 -0.180 0.000 1.321 388 A CA -0.366 51.541 52.037 -0.217 0.000 0.928 388 A CB -0.121 18.770 19.000 -0.182 0.000 1.158 388 A HN 0.776 nan 8.150 nan 0.000 0.542 389 H N 2.884 121.738 119.070 -0.360 0.000 2.819 389 H HA 0.380 4.939 4.556 0.005 0.000 0.303 389 H C 0.377 175.517 175.328 -0.313 0.000 1.058 389 H CA 0.786 56.605 56.048 -0.383 0.000 1.471 389 H CB 0.562 29.963 29.762 -0.602 0.000 1.480 389 H HN 0.791 nan 8.280 nan 0.000 0.517 390 T N 2.325 116.750 114.554 -0.215 0.000 2.838 390 T HA 0.450 4.803 4.350 0.005 0.000 0.292 390 T C -0.401 174.300 174.700 0.002 0.000 1.113 390 T CA -0.986 60.974 62.100 -0.234 0.000 1.008 390 T CB 1.505 70.189 68.868 -0.308 0.000 1.259 390 T HN 0.408 nan 8.240 nan 0.000 0.520 391 I N 1.206 121.979 120.570 0.337 0.000 2.339 391 I HA 0.407 4.580 4.170 0.005 0.000 0.290 391 I C 0.185 176.458 176.117 0.260 0.000 0.994 391 I CA -0.837 60.608 61.300 0.243 0.000 1.191 391 I CB 1.624 39.770 38.000 0.243 0.000 1.343 391 I HN 0.598 nan 8.210 nan 0.000 0.458 392 K N 5.033 125.549 120.400 0.193 0.000 2.297 392 K HA 0.429 4.752 4.320 0.005 0.000 0.286 392 K C 0.739 177.465 176.600 0.210 0.000 1.053 392 K CA 0.347 56.752 56.287 0.197 0.000 0.940 392 K CB 0.658 33.256 32.500 0.163 0.000 1.019 392 K HN 0.898 nan 8.250 nan 0.000 0.475 393 G N 3.472 112.415 108.800 0.238 0.000 2.140 393 G HA2 -0.284 3.679 3.960 0.005 0.000 0.211 393 G HA3 -0.284 3.679 3.960 0.005 0.000 0.211 393 G C -0.548 174.506 174.900 0.257 0.000 1.013 393 G CA -0.141 45.095 45.100 0.225 0.000 0.705 393 G HN 0.696 nan 8.290 nan 0.000 0.508 394 Y N 0.839 121.235 120.300 0.159 0.000 2.721 394 Y HA 0.319 4.872 4.550 0.005 0.000 0.329 394 Y C 1.646 177.701 175.900 0.258 0.000 1.211 394 Y CA 1.441 59.623 58.100 0.135 0.000 1.512 394 Y CB 0.478 39.005 38.460 0.111 0.000 1.249 394 Y HN 1.432 nan 8.280 nan 0.000 0.549 395 G N 4.598 113.215 108.800 -0.304 0.000 2.212 395 G HA2 -0.367 3.596 3.960 0.005 0.000 0.266 395 G HA3 -0.367 3.596 3.960 0.005 0.000 0.266 395 G C 0.741 175.709 174.900 0.112 0.000 0.978 395 G CA 0.827 45.784 45.100 -0.238 0.000 0.632 395 G HN 0.662 nan 8.290 nan 0.000 0.537 396 M N -0.247 119.485 119.600 0.220 0.000 2.516 396 M HA 0.382 4.865 4.480 0.005 0.000 0.259 396 M C 2.415 178.860 176.300 0.241 0.000 1.146 396 M CA 1.244 56.719 55.300 0.292 0.000 1.122 396 M CB 0.092 32.826 32.600 0.223 0.000 1.341 396 M HN 0.986 nan 8.290 nan 0.000 0.478 397 G N 2.012 110.927 108.800 0.193 0.000 4.297 397 G HA2 -0.445 3.518 3.960 0.005 0.000 0.359 397 G HA3 -0.445 3.518 3.960 0.005 0.000 0.359 397 G C 0.614 175.539 174.900 0.042 0.000 1.454 397 G CA 1.611 46.794 45.100 0.139 0.000 1.272 397 G HN 0.515 nan 8.290 nan 0.000 0.797 398 D N 1.062 121.408 120.400 -0.090 0.000 2.183 398 D HA 0.410 5.053 4.640 0.005 0.000 0.203 398 D C 1.904 178.195 176.300 -0.016 0.000 0.969 398 D CA 1.701 55.645 54.000 -0.094 0.000 0.842 398 D CB -0.043 40.638 40.800 -0.199 0.000 0.957 398 D HN 0.871 nan 8.370 nan 0.000 0.484 399 A N -0.018 122.815 122.820 0.021 0.000 2.674 399 A HA 0.690 5.014 4.320 0.005 0.000 0.286 399 A C 0.682 178.317 177.584 0.085 0.000 0.980 399 A CA -0.216 51.851 52.037 0.049 0.000 1.028 399 A CB -0.221 18.807 19.000 0.047 0.000 1.199 399 A HN 0.177 nan 8.150 nan 0.000 0.499 415 D N -1.612 118.819 120.400 0.052 0.000 1.865 415 D HA 0.250 4.893 4.640 0.005 0.000 0.724 415 D C 1.218 177.571 176.300 0.088 0.000 0.664 415 D CA 0.897 54.942 54.000 0.076 0.000 1.254 415 D CB -0.350 40.485 40.800 0.058 0.000 1.302 415 D HN 0.370 nan 8.370 nan 0.000 0.400 416 G N 0.859 109.700 108.800 0.069 0.000 2.807 416 G HA2 0.026 3.990 3.960 0.005 0.000 0.207 416 G HA3 0.026 3.990 3.960 0.005 0.000 0.207 416 G C 1.328 176.297 174.900 0.114 0.000 1.151 416 G CA 1.302 46.447 45.100 0.076 0.000 0.800 416 G HN 0.463 nan 8.290 nan 0.000 0.523 417 V N -1.387 118.601 119.914 0.124 0.000 3.661 417 V HA 0.216 4.339 4.120 0.005 0.000 0.271 417 V C 2.290 178.534 176.094 0.251 0.000 1.315 417 V CA 0.764 63.156 62.300 0.153 0.000 1.072 417 V CB -0.018 31.835 31.823 0.051 0.000 0.830 417 V HN 0.409 nan 8.190 nan 0.000 0.443 418 R N 0.376 121.007 120.500 0.219 0.000 2.241 418 R HA -0.182 4.161 4.340 0.005 0.000 0.224 418 R C 2.050 178.460 176.300 0.182 0.000 1.101 418 R CA 1.989 58.213 56.100 0.206 0.000 0.995 418 R CB -1.116 29.267 30.300 0.137 0.000 0.870 418 R HN 0.691 nan 8.270 nan 0.000 0.463 419 H N 0.534 119.673 119.070 0.115 0.000 2.389 419 H HA -0.032 4.527 4.556 0.006 0.000 0.299 419 H C 1.688 177.079 175.328 0.105 0.000 1.081 419 H CA 1.654 57.750 56.048 0.080 0.000 1.345 419 H CB 0.042 29.841 29.762 0.063 0.000 1.393 419 H HN 0.258 nan 8.280 nan 0.000 0.520 420 I N 0.756 121.380 120.570 0.090 0.000 2.286 420 I HA -0.133 4.041 4.170 0.005 0.000 0.245 420 I C 2.405 178.696 176.117 0.290 0.000 1.104 420 I CA 1.264 62.672 61.300 0.180 0.000 1.397 420 I CB -0.356 37.842 38.000 0.331 0.000 1.072 420 I HN 0.341 nan 8.210 nan 0.000 0.417 421 R N 0.135 120.840 120.500 0.341 0.000 2.120 421 R HA -0.123 4.220 4.340 0.005 0.000 0.234 421 R C 1.619 177.934 176.300 0.025 0.000 1.123 421 R CA 1.977 58.174 56.100 0.163 0.000 0.975 421 R CB -1.360 28.946 30.300 0.009 0.000 0.866 421 R HN 0.286 nan 8.270 nan 0.000 0.446 422 D N 0.028 120.418 120.400 -0.016 0.000 2.183 422 D HA -0.033 4.610 4.640 0.005 0.000 0.205 422 D C 1.720 177.919 176.300 -0.168 0.000 0.962 422 D CA 0.489 54.445 54.000 -0.073 0.000 0.849 422 D CB -0.128 40.641 40.800 -0.052 0.000 0.978 422 D HN 0.088 nan 8.370 nan 0.000 0.488 423 R N 0.300 120.608 120.500 -0.321 0.000 2.096 423 R HA -0.087 4.257 4.340 0.005 0.000 0.235 423 R C 0.987 176.864 176.300 -0.705 0.000 1.127 423 R CA 0.915 56.645 56.100 -0.616 0.000 0.968 423 R CB -0.402 29.344 30.300 -0.924 0.000 0.861 423 R HN 0.196 nan 8.270 nan 0.000 0.440 424 F N 0.284 120.196 119.950 -0.063 0.000 2.668 424 F HA 0.290 4.820 4.527 0.005 0.000 0.301 424 F C -0.090 175.705 175.800 -0.008 0.000 1.106 424 F CA -0.520 57.476 58.000 -0.007 0.000 1.289 424 F CB -0.452 38.580 39.000 0.053 0.000 1.006 424 F HN 0.027 nan 8.300 nan 0.000 0.535 425 N N 0.377 119.107 118.700 0.049 0.000 2.667 425 N HA -0.159 4.584 4.740 0.005 0.000 0.263 425 N C -0.966 174.543 175.510 -0.001 0.000 1.038 425 N CA -0.221 52.835 53.050 0.010 0.000 0.749 425 N CB -1.058 37.438 38.487 0.015 0.000 0.892 425 N HN -0.004 nan 8.380 nan 0.000 0.546 426 V N 1.376 121.252 119.914 -0.063 0.000 2.461 426 V HA 0.262 4.385 4.120 0.005 0.000 0.275 426 V C -1.193 174.724 176.094 -0.295 0.000 1.047 426 V CA -1.205 60.959 62.300 -0.226 0.000 0.955 426 V CB 1.164 32.694 31.823 -0.488 0.000 0.988 426 V HN 0.215 nan 8.190 nan 0.000 0.471 427 P HA 0.154 nan 4.420 nan 0.000 0.241 427 P C -0.720 176.427 177.300 -0.255 0.000 1.760 427 P CA 0.386 63.371 63.100 -0.192 0.000 1.081 427 P CB 0.658 32.292 31.700 -0.109 0.000 1.975 428 V N 2.299 122.044 119.914 -0.281 0.000 2.655 428 V HA 0.318 4.441 4.120 0.005 0.000 0.301 428 V C 0.130 176.148 176.094 -0.126 0.000 1.082 428 V CA -0.489 61.670 62.300 -0.234 0.000 0.899 428 V CB 2.157 33.739 31.823 -0.402 0.000 1.014 428 V HN 0.487 nan 8.190 nan 0.000 0.429 429 S N 3.205 118.868 115.700 -0.061 0.000 2.596 429 S HA 0.174 4.647 4.470 0.005 0.000 0.260 429 S C 0.519 175.120 174.600 0.002 0.000 1.336 429 S CA 0.423 58.607 58.200 -0.027 0.000 0.993 429 S CB 0.871 64.062 63.200 -0.015 0.000 0.923 429 S HN 0.879 nan 8.310 nan 0.000 0.567 430 D N 0.196 120.602 120.400 0.011 0.000 2.504 430 D HA 0.471 5.114 4.640 0.005 0.000 0.243 430 D C 0.776 177.093 176.300 0.029 0.000 1.203 430 D CA 0.636 54.654 54.000 0.030 0.000 0.847 430 D CB -0.580 40.236 40.800 0.026 0.000 0.973 430 D HN 0.637 nan 8.370 nan 0.000 0.490 431 A N -0.530 122.305 122.820 0.026 0.000 2.334 431 A HA 0.089 4.412 4.320 0.005 0.000 0.184 431 A C 1.339 178.938 177.584 0.026 0.000 1.594 431 A CA -0.285 51.766 52.037 0.023 0.000 1.162 431 A CB 0.544 19.552 19.000 0.013 0.000 1.426 431 A HN 0.105 nan 8.150 nan 0.000 0.494 432 D N 0.342 120.760 120.400 0.030 0.000 2.355 432 D HA 0.117 4.760 4.640 0.005 0.000 0.206 432 D C 1.724 178.064 176.300 0.067 0.000 1.010 432 D CA 0.225 54.245 54.000 0.035 0.000 0.875 432 D CB 0.009 40.823 40.800 0.024 0.000 0.966 432 D HN 0.430 nan 8.370 nan 0.000 0.512 433 I N 1.272 121.899 120.570 0.096 0.000 2.300 433 I HA -0.295 3.878 4.170 0.005 0.000 0.252 433 I C 1.789 177.969 176.117 0.105 0.000 1.119 433 I CA 1.403 62.805 61.300 0.170 0.000 1.384 433 I CB -0.062 38.047 38.000 0.182 0.000 1.062 433 I HN -0.082 nan 8.210 nan 0.000 0.426 434 E N 0.399 120.634 120.200 0.058 0.000 2.338 434 E HA -0.162 4.191 4.350 0.005 0.000 0.197 434 E C 1.762 178.364 176.600 0.003 0.000 1.007 434 E CA 0.710 57.126 56.400 0.026 0.000 0.849 434 E CB 0.037 29.749 29.700 0.020 0.000 0.774 434 E HN 0.344 nan 8.360 nan 0.000 0.506 435 K N 0.203 120.607 120.400 0.006 0.000 2.444 435 K HA 0.154 4.478 4.320 0.005 0.000 0.193 435 K C -0.264 176.298 176.600 -0.062 0.000 1.024 435 K CA -0.049 56.225 56.287 -0.021 0.000 1.077 435 K CB 0.126 32.621 32.500 -0.009 0.000 0.833 435 K HN 0.051 nan 8.250 nan 0.000 0.517 436 L N 1.801 122.993 121.223 -0.051 0.000 3.895 436 L HA -0.182 4.161 4.340 0.005 0.000 0.511 436 L C -2.238 174.489 176.870 -0.239 0.000 1.222 436 L CA -0.552 54.202 54.840 -0.143 0.000 0.739 436 L CB -1.500 40.421 42.059 -0.231 0.000 1.425 436 L HN 0.102 nan 8.230 nan 0.000 0.817 437 P HA 0.198 nan 4.420 nan 0.000 0.281 437 P C -0.676 176.624 177.300 -0.001 0.000 1.249 437 P CA -0.241 62.815 63.100 -0.074 0.000 0.810 437 P CB 0.790 32.521 31.700 0.052 0.000 1.008 438 Y N 0.711 121.083 120.300 0.119 0.000 2.310 438 Y HA 0.354 4.907 4.550 0.005 0.000 0.326 438 Y C 1.055 177.064 175.900 0.181 0.000 1.151 438 Y CA -0.390 57.789 58.100 0.132 0.000 1.195 438 Y CB 0.616 39.049 38.460 -0.045 0.000 1.210 438 Y HN 0.148 nan 8.280 nan 0.000 0.483 439 I N 2.941 123.735 120.570 0.373 0.000 2.353 439 I HA 0.381 4.554 4.170 0.005 0.000 0.293 439 I C 0.009 176.138 176.117 0.019 0.000 0.992 439 I CA -0.391 60.962 61.300 0.089 0.000 1.268 439 I CB 1.377 39.336 38.000 -0.069 0.000 1.387 439 I HN 0.698 nan 8.210 nan 0.000 0.478 440 T N 1.910 116.370 114.554 -0.156 0.000 2.901 440 T HA 0.622 4.975 4.350 0.005 0.000 0.293 440 T C -0.831 173.630 174.700 -0.399 0.000 1.084 440 T CA -0.686 61.275 62.100 -0.233 0.000 1.008 440 T CB 1.731 70.535 68.868 -0.107 0.000 1.170 440 T HN 0.115 nan 8.240 nan 0.000 0.509 441 F N 2.505 122.494 119.950 0.065 0.000 2.403 441 F HA 0.499 5.029 4.527 0.005 0.000 0.355 441 F C -1.999 173.832 175.800 0.052 0.000 1.119 441 F CA -2.413 55.639 58.000 0.087 0.000 1.007 441 F CB 1.531 40.616 39.000 0.142 0.000 1.194 441 F HN 0.399 nan 8.300 nan 0.000 0.443 442 P HA -0.001 nan 4.420 nan 0.000 0.272 442 P C -0.284 176.896 177.300 -0.199 0.000 1.223 442 P CA -0.320 62.766 63.100 -0.024 0.000 0.784 442 P CB 0.925 32.621 31.700 -0.007 0.000 0.923 443 E N 0.773 120.701 120.200 -0.454 0.000 2.529 443 E HA 0.130 4.483 4.350 0.005 0.000 0.259 443 E C 1.050 177.496 176.600 -0.257 0.000 0.966 443 E CA 0.907 56.878 56.400 -0.715 0.000 0.937 443 E CB -0.543 28.896 29.700 -0.435 0.000 0.923 443 E HN 0.786 nan 8.360 nan 0.000 0.468 444 G N 3.160 111.890 108.800 -0.117 0.000 2.279 444 G HA2 -0.328 3.635 3.960 0.005 0.000 0.223 444 G HA3 -0.328 3.635 3.960 0.005 0.000 0.223 444 G C 0.251 175.177 174.900 0.043 0.000 1.015 444 G CA 0.217 45.314 45.100 -0.005 0.000 0.621 444 G HN 0.985 nan 8.290 nan 0.000 0.506 445 S N 0.421 116.158 115.700 0.061 0.000 2.579 445 S HA 0.462 4.936 4.470 0.005 0.000 0.275 445 S C 1.100 175.750 174.600 0.083 0.000 1.345 445 S CA 0.840 59.092 58.200 0.087 0.000 1.031 445 S CB 1.991 65.278 63.200 0.146 0.000 0.892 445 S HN 0.546 nan 8.310 nan 0.000 0.529 446 E N 1.021 121.242 120.200 0.035 0.000 2.085 446 E HA -0.222 4.131 4.350 0.005 0.000 0.194 446 E C 1.531 178.117 176.600 -0.024 0.000 0.994 446 E CA 1.677 58.086 56.400 0.014 0.000 0.801 446 E CB -0.153 29.537 29.700 -0.017 0.000 0.743 446 E HN 0.830 nan 8.360 nan 0.000 0.453 447 E N -0.231 119.863 120.200 -0.176 0.000 2.051 447 E HA -0.217 4.136 4.350 0.005 0.000 0.192 447 E C 1.971 178.451 176.600 -0.200 0.000 0.991 447 E CA 1.425 57.560 56.400 -0.441 0.000 0.799 447 E CB -0.397 28.454 29.700 -1.415 0.000 0.748 447 E HN 0.363 nan 8.360 nan 0.000 0.449 448 H N 0.262 119.276 119.070 -0.094 0.000 2.290 448 H HA -0.097 4.462 4.556 0.005 0.000 0.298 448 H C 1.732 177.164 175.328 0.174 0.000 1.087 448 H CA 2.025 58.144 56.048 0.119 0.000 1.291 448 H CB -0.045 29.830 29.762 0.189 0.000 1.369 448 H HN 0.137 nan 8.280 nan 0.000 0.492 449 T N 0.396 115.103 114.554 0.255 0.000 2.684 449 T HA -0.220 4.133 4.350 0.005 0.000 0.267 449 T C 1.783 176.541 174.700 0.096 0.000 1.036 449 T CA 1.756 63.965 62.100 0.181 0.000 1.148 449 T CB -0.719 68.242 68.868 0.154 0.000 0.863 449 T HN 0.433 nan 8.240 nan 0.000 0.436 450 Y N 1.263 121.542 120.300 -0.034 0.000 2.163 450 Y HA -0.038 4.515 4.550 0.005 0.000 0.288 450 Y C 2.179 178.019 175.900 -0.101 0.000 1.136 450 Y CA 0.877 58.938 58.100 -0.064 0.000 1.147 450 Y CB -0.509 37.903 38.460 -0.079 0.000 0.987 450 Y HN 0.093 nan 8.280 nan 0.000 0.509 451 L N -0.051 121.179 121.223 0.012 0.000 1.978 451 L HA -0.333 4.010 4.340 0.005 0.000 0.218 451 L C 2.400 179.111 176.870 -0.266 0.000 1.075 451 L CA 2.337 57.085 54.840 -0.152 0.000 0.767 451 L CB -1.130 40.761 42.059 -0.279 0.000 0.890 451 L HN 0.320 nan 8.230 nan 0.000 0.434 452 H N -0.638 118.361 119.070 -0.119 0.000 2.423 452 H HA 0.031 4.590 4.556 0.005 0.000 0.297 452 H C 2.139 177.400 175.328 -0.112 0.000 1.075 452 H CA 1.226 57.235 56.048 -0.065 0.000 1.342 452 H CB -0.336 29.358 29.762 -0.113 0.000 1.395 452 H HN 0.571 nan 8.280 nan 0.000 0.530 453 A N 1.406 124.188 122.820 -0.063 0.000 1.877 453 A HA -0.180 4.144 4.320 0.005 0.000 0.216 453 A C 2.381 179.823 177.584 -0.237 0.000 1.186 453 A CA 1.285 53.236 52.037 -0.142 0.000 0.620 453 A CB -0.228 18.666 19.000 -0.177 0.000 0.822 453 A HN 0.278 nan 8.150 nan 0.000 0.443 454 Q N -0.507 119.073 119.800 -0.368 0.000 2.084 454 Q HA -0.132 4.211 4.340 0.005 0.000 0.202 454 Q C 2.199 178.051 176.000 -0.247 0.000 0.978 454 Q CA 1.187 56.762 55.803 -0.380 0.000 0.844 454 Q CB -0.439 27.999 28.738 -0.500 0.000 0.898 454 Q HN 0.491 nan 8.270 nan 0.000 0.426 455 R N 0.622 121.001 120.500 -0.201 0.000 2.092 455 R HA -0.041 4.303 4.340 0.005 0.000 0.231 455 R C 2.116 178.257 176.300 -0.266 0.000 1.119 455 R CA 0.825 56.794 56.100 -0.218 0.000 0.970 455 R CB -0.382 29.741 30.300 -0.295 0.000 0.864 455 R HN 0.344 nan 8.270 nan 0.000 0.440 456 Q N 0.866 120.538 119.800 -0.213 0.000 2.124 456 Q HA -0.103 4.240 4.340 0.005 0.000 0.202 456 Q C 1.898 177.776 176.000 -0.204 0.000 0.977 456 Q CA 1.304 56.998 55.803 -0.181 0.000 0.850 456 Q CB -0.179 28.500 28.738 -0.097 0.000 0.901 456 Q HN 0.263 nan 8.270 nan 0.000 0.429 457 K N 0.159 120.441 120.400 -0.197 0.000 2.280 457 K HA -0.047 4.276 4.320 0.005 0.000 0.202 457 K C 1.337 177.801 176.600 -0.228 0.000 1.047 457 K CA 0.634 56.798 56.287 -0.206 0.000 0.942 457 K CB 0.071 32.462 32.500 -0.181 0.000 0.739 457 K HN 0.118 nan 8.250 nan 0.000 0.457 458 L N -0.213 120.901 121.223 -0.182 0.000 2.928 458 L HA 0.172 4.515 4.340 0.005 0.000 0.246 458 L C -0.546 176.326 176.870 0.004 0.000 1.239 458 L CA -0.084 54.708 54.840 -0.080 0.000 1.035 458 L CB -0.324 41.726 42.059 -0.015 0.000 1.360 458 L HN 0.361 nan 8.230 nan 0.000 0.529 459 H N -1.086 117.939 119.070 -0.076 0.000 3.237 459 H HA -0.146 4.413 4.556 0.005 0.000 0.231 459 H C 0.931 176.185 175.328 -0.124 0.000 1.148 459 H CA 0.678 56.684 56.048 -0.070 0.000 1.155 459 H CB -1.066 28.683 29.762 -0.022 0.000 1.210 459 H HN 0.646 nan 8.280 nan 0.000 0.317 460 G N -1.833 106.852 108.800 -0.192 0.000 2.295 460 G HA2 -0.009 3.954 3.960 0.005 0.000 0.195 460 G HA3 -0.009 3.954 3.960 0.005 0.000 0.195 460 G C -1.414 173.054 174.900 -0.720 0.000 1.269 460 G CA -0.487 44.337 45.100 -0.459 0.000 1.170 460 G HN 0.207 nan 8.290 nan 0.000 0.511 461 Y N 0.350 120.703 120.300 0.089 0.000 2.468 461 Y HA 0.807 5.360 4.550 0.005 0.000 0.342 461 Y C 0.718 176.657 175.900 0.066 0.000 1.021 461 Y CA -0.483 57.667 58.100 0.083 0.000 1.079 461 Y CB 1.969 40.453 38.460 0.040 0.000 1.226 461 Y HN 0.869 nan 8.280 nan 0.000 0.460 462 L N 1.189 122.552 121.223 0.234 0.000 2.518 462 L HA 0.836 5.179 4.340 0.005 0.000 0.257 462 L C -3.154 173.779 176.870 0.106 0.000 0.980 462 L CA -2.270 52.645 54.840 0.126 0.000 0.837 462 L CB 2.718 44.873 42.059 0.159 0.000 1.410 462 L HN 0.287 nan 8.230 nan 0.000 0.410 463 P HA 0.358 nan 4.420 nan 0.000 0.276 463 P C -1.024 175.938 177.300 -0.563 0.000 1.244 463 P CA -0.161 62.730 63.100 -0.348 0.000 0.801 463 P CB 1.701 33.126 31.700 -0.460 0.000 1.006 464 S N 0.709 116.218 115.700 -0.318 0.000 2.565 464 S HA 0.696 5.169 4.470 0.005 0.000 0.269 464 S C -1.121 173.390 174.600 -0.150 0.000 1.153 464 S CA -0.943 57.120 58.200 -0.228 0.000 0.835 464 S CB 2.422 65.576 63.200 -0.076 0.000 1.122 464 S HN 0.695 nan 8.310 nan 0.000 0.462 465 R N 0.601 121.047 120.500 -0.091 0.000 2.651 465 R HA 0.450 4.793 4.340 0.005 0.000 0.278 465 R C -1.682 174.603 176.300 -0.025 0.000 1.010 465 R CA -0.438 55.616 56.100 -0.076 0.000 0.896 465 R CB 2.026 32.274 30.300 -0.086 0.000 1.211 465 R HN 0.864 nan 8.270 nan 0.000 0.456 466 Q N 4.864 124.652 119.800 -0.020 0.000 2.340 466 Q HA 0.325 4.668 4.340 0.005 0.000 0.259 466 Q C -2.028 173.996 176.000 0.040 0.000 0.964 466 Q CA -2.127 53.688 55.803 0.019 0.000 0.900 466 Q CB 1.818 30.576 28.738 0.033 0.000 1.228 466 Q HN 0.396 nan 8.270 nan 0.000 0.449 467 P HA 0.006 nan 4.420 nan 0.000 0.222 467 P C -0.680 176.747 177.300 0.211 0.000 1.153 467 P CA 0.789 63.957 63.100 0.114 0.000 0.798 467 P CB 0.492 32.233 31.700 0.070 0.000 0.796 468 N N -0.936 117.850 118.700 0.143 0.000 2.265 468 N HA 0.347 5.090 4.740 0.005 0.000 0.300 468 N C -0.714 174.895 175.510 0.164 0.000 1.148 468 N CA -0.812 52.295 53.050 0.096 0.000 0.772 468 N CB 1.083 39.510 38.487 -0.099 0.000 1.434 468 N HN -0.113 nan 8.380 nan 0.000 0.481 469 F N -1.433 118.637 119.950 0.201 0.000 2.370 469 F HA 0.463 4.993 4.527 0.005 0.000 0.324 469 F C 1.747 177.610 175.800 0.106 0.000 1.116 469 F CA -0.705 57.402 58.000 0.179 0.000 1.123 469 F CB 0.218 39.363 39.000 0.243 0.000 1.238 469 F HN 0.498 nan 8.300 nan 0.000 0.536 470 T N -2.303 112.419 114.554 0.282 0.000 3.009 470 T HA 0.050 4.403 4.350 0.005 0.000 0.258 470 T C 0.484 175.298 174.700 0.190 0.000 1.063 470 T CA 0.360 62.548 62.100 0.146 0.000 1.139 470 T CB -0.630 68.306 68.868 0.114 0.000 0.890 470 T HN 0.817 nan 8.240 nan 0.000 0.471 471 E N 1.552 121.953 120.200 0.335 0.000 2.392 471 E HA 0.204 4.558 4.350 0.005 0.000 0.259 471 E C -0.368 176.428 176.600 0.326 0.000 1.108 471 E CA -0.807 55.756 56.400 0.271 0.000 0.916 471 E CB 0.657 30.489 29.700 0.221 0.000 0.989 471 E HN 0.366 nan 8.360 nan 0.000 0.432 472 K N 2.919 123.445 120.400 0.209 0.000 2.213 472 K HA 0.304 4.627 4.320 0.005 0.000 0.270 472 K C -0.973 175.743 176.600 0.193 0.000 1.002 472 K CA -0.566 55.841 56.287 0.200 0.000 0.868 472 K CB 0.785 33.353 32.500 0.114 0.000 1.093 472 K HN 0.528 nan 8.250 nan 0.000 0.454 473 L N 3.103 124.466 121.223 0.234 0.000 2.357 473 L HA 0.315 4.658 4.340 0.005 0.000 0.273 473 L C 0.163 177.111 176.870 0.129 0.000 1.080 473 L CA -0.771 54.165 54.840 0.160 0.000 0.803 473 L CB 1.412 43.569 42.059 0.165 0.000 1.174 473 L HN 0.612 nan 8.230 nan 0.000 0.443 474 E N 3.140 123.396 120.200 0.094 0.000 2.136 474 E HA 0.264 4.617 4.350 0.005 0.000 0.246 474 E C -0.615 176.037 176.600 0.086 0.000 1.017 474 E CA -0.696 55.754 56.400 0.082 0.000 0.883 474 E CB 0.706 30.442 29.700 0.059 0.000 1.199 474 E HN 0.239 nan 8.360 nan 0.000 0.447 475 L N 3.740 125.030 121.223 0.112 0.000 2.467 475 L HA 0.152 4.495 4.340 0.005 0.000 0.270 475 L C -1.688 175.271 176.870 0.148 0.000 1.205 475 L CA -1.468 53.452 54.840 0.133 0.000 0.828 475 L CB -0.469 41.678 42.059 0.147 0.000 1.101 475 L HN 0.200 nan 8.230 nan 0.000 0.479 476 P HA 0.131 nan 4.420 nan 0.000 0.271 476 P C -0.752 176.744 177.300 0.327 0.000 1.218 476 P CA -0.433 62.769 63.100 0.169 0.000 0.780 476 P CB 0.713 32.475 31.700 0.103 0.000 0.901 477 S N 1.650 117.473 115.700 0.205 0.000 2.669 477 S HA 0.141 4.614 4.470 0.005 0.000 0.270 477 S C 1.181 175.816 174.600 0.058 0.000 1.225 477 S CA -0.688 57.621 58.200 0.181 0.000 0.991 477 S CB 0.412 63.653 63.200 0.069 0.000 0.987 477 S HN 0.356 nan 8.310 nan 0.000 0.552 478 L N 0.573 121.570 121.223 -0.376 0.000 2.141 478 L HA 0.008 4.351 4.340 0.005 0.000 0.209 478 L C 2.565 179.433 176.870 -0.002 0.000 1.094 478 L CA 1.902 56.494 54.840 -0.413 0.000 0.763 478 L CB -1.195 40.547 42.059 -0.528 0.000 0.908 478 L HN 0.909 nan 8.230 nan 0.000 0.437 479 Q N -0.199 119.582 119.800 -0.033 0.000 2.226 479 Q HA -0.212 4.131 4.340 0.005 0.000 0.204 479 Q C 1.657 177.649 176.000 -0.014 0.000 0.975 479 Q CA 1.723 57.519 55.803 -0.012 0.000 0.866 479 Q CB -0.380 28.344 28.738 -0.023 0.000 0.915 479 Q HN 0.551 nan 8.270 nan 0.000 0.440 480 D N -1.013 119.365 120.400 -0.038 0.000 2.264 480 D HA -0.124 4.519 4.640 0.005 0.000 0.208 480 D C 0.261 176.372 176.300 -0.316 0.000 0.966 480 D CA 0.763 54.647 54.000 -0.193 0.000 0.864 480 D CB -0.048 40.579 40.800 -0.289 0.000 0.933 480 D HN 0.339 nan 8.370 nan 0.000 0.499 481 F N -0.106 119.811 119.950 -0.054 0.000 2.645 481 F HA 0.282 4.812 4.527 0.005 0.000 0.300 481 F C 2.234 178.008 175.800 -0.043 0.000 1.115 481 F CA -0.433 57.539 58.000 -0.046 0.000 1.355 481 F CB -0.031 38.948 39.000 -0.036 0.000 1.026 481 F HN -0.125 nan 8.300 nan 0.000 0.536 482 G N 0.770 109.612 108.800 0.071 0.000 2.545 482 G HA2 -0.361 3.602 3.960 0.005 0.000 0.222 482 G HA3 -0.361 3.602 3.960 0.005 0.000 0.222 482 G C 1.962 176.879 174.900 0.028 0.000 1.126 482 G CA 1.092 46.212 45.100 0.033 0.000 0.754 482 G HN 0.443 nan 8.290 nan 0.000 0.583 483 A N 0.233 123.063 122.820 0.018 0.000 1.978 483 A HA 0.105 4.428 4.320 0.005 0.000 0.220 483 A C 2.353 179.958 177.584 0.036 0.000 1.170 483 A CA 1.291 53.335 52.037 0.012 0.000 0.636 483 A CB -0.302 18.694 19.000 -0.007 0.000 0.810 483 A HN 0.394 nan 8.150 nan 0.000 0.448 484 L N -0.653 120.614 121.223 0.074 0.000 2.492 484 L HA 0.046 4.389 4.340 0.005 0.000 0.223 484 L C 1.761 178.703 176.870 0.119 0.000 1.132 484 L CA 0.193 55.090 54.840 0.094 0.000 0.850 484 L CB -0.110 42.026 42.059 0.128 0.000 0.966 484 L HN 0.369 nan 8.230 nan 0.000 0.454 485 L N -1.061 120.215 121.223 0.088 0.000 2.509 485 L HA 0.078 4.421 4.340 0.005 0.000 0.222 485 L C 0.704 177.570 176.870 -0.008 0.000 1.123 485 L CA 0.134 55.007 54.840 0.055 0.000 0.856 485 L CB -0.147 41.913 42.059 0.002 0.000 0.985 485 L HN 0.241 nan 8.230 nan 0.000 0.456 486 E N 0.591 120.796 120.200 0.007 0.000 2.312 486 E HA 0.144 4.497 4.350 0.005 0.000 0.259 486 E C -0.221 176.378 176.600 -0.003 0.000 1.122 486 E CA -0.607 55.785 56.400 -0.014 0.000 0.922 486 E CB 0.986 30.682 29.700 -0.008 0.000 1.109 486 E HN 0.055 nan 8.360 nan 0.000 0.442 487 E N 1.282 121.472 120.200 -0.016 0.000 2.414 487 E HA -0.075 4.278 4.350 0.005 0.000 0.263 487 E C -0.524 176.065 176.600 -0.019 0.000 1.000 487 E CA -0.293 56.089 56.400 -0.030 0.000 0.914 487 E CB 0.551 30.264 29.700 0.021 0.000 0.948 487 E HN 0.212 nan 8.360 nan 0.000 0.444 488 Q N 2.040 121.807 119.800 -0.054 0.000 2.260 488 Q HA 0.126 4.469 4.340 0.005 0.000 0.242 488 Q C 0.673 176.684 176.000 0.019 0.000 0.932 488 Q CA -0.152 55.640 55.803 -0.018 0.000 0.891 488 Q CB 1.730 30.450 28.738 -0.030 0.000 1.222 488 Q HN 0.557 nan 8.270 nan 0.000 0.453 489 S N 0.839 116.554 115.700 0.025 0.000 2.355 489 S HA -0.039 4.434 4.470 0.005 0.000 0.222 489 S C 0.425 175.059 174.600 0.057 0.000 1.031 489 S CA 1.260 59.484 58.200 0.041 0.000 0.993 489 S CB 0.250 63.464 63.200 0.024 0.000 0.859 489 S HN 0.328 nan 8.310 nan 0.000 0.453 490 K N 1.193 121.618 120.400 0.041 0.000 2.238 490 K HA 0.351 4.674 4.320 0.005 0.000 0.239 490 K C -0.691 175.939 176.600 0.050 0.000 0.987 490 K CA -0.521 55.795 56.287 0.047 0.000 0.857 490 K CB 1.095 33.611 32.500 0.025 0.000 1.154 490 K HN 0.153 nan 8.250 nan 0.000 0.439 491 E N 2.340 122.579 120.200 0.065 0.000 2.324 491 E HA 0.115 4.468 4.350 0.005 0.000 0.271 491 E C -0.003 176.593 176.600 -0.006 0.000 1.028 491 E CA 0.095 56.531 56.400 0.060 0.000 0.890 491 E CB 0.346 30.103 29.700 0.095 0.000 1.004 491 E HN 0.378 nan 8.360 nan 0.000 0.431 492 I N -1.231 119.304 120.570 -0.059 0.000 0.000 492 I HA 0.571 4.744 4.170 0.005 0.000 0.000 492 I C -0.126 175.863 176.117 -0.214 0.000 0.000 492 I CA -1.032 60.211 61.300 -0.095 0.000 0.000 492 I CB 2.033 39.995 38.000 -0.063 0.000 0.000 492 I HN 0.381 nan 8.210 nan 0.000 0.000 493 S N -0.819 114.772 115.700 -0.183 0.000 2.739 493 S HA 0.396 4.870 4.470 0.005 0.000 0.306 493 S C 0.776 175.291 174.600 -0.142 0.000 1.115 493 S CA 0.133 58.184 58.200 -0.249 0.000 0.985 493 S CB 1.299 64.412 63.200 -0.145 0.000 1.133 493 S HN 0.857 nan 8.310 nan 0.000 0.541 494 T N -2.103 112.384 114.554 -0.112 0.000 3.035 494 T HA -0.022 4.331 4.350 0.005 0.000 0.268 494 T C 1.482 176.207 174.700 0.041 0.000 1.109 494 T CA 1.441 63.530 62.100 -0.019 0.000 1.119 494 T CB -1.012 67.861 68.868 0.008 0.000 0.900 494 T HN 0.609 nan 8.240 nan 0.000 0.503 495 T N 1.957 116.534 114.554 0.039 0.000 2.851 495 T HA 0.226 4.579 4.350 0.005 0.000 0.262 495 T C 1.860 176.647 174.700 0.145 0.000 1.043 495 T CA 0.687 62.861 62.100 0.124 0.000 1.140 495 T CB -0.321 68.617 68.868 0.116 0.000 0.872 495 T HN 0.365 nan 8.240 nan 0.000 0.446 496 I N 1.461 122.061 120.570 0.049 0.000 2.226 496 I HA -0.194 3.979 4.170 0.005 0.000 0.245 496 I C 2.884 178.998 176.117 -0.005 0.000 1.100 496 I CA 1.043 62.348 61.300 0.009 0.000 1.374 496 I CB -0.423 37.563 38.000 -0.024 0.000 1.057 496 I HN 0.194 nan 8.210 nan 0.000 0.413 497 A N 0.877 123.705 122.820 0.012 0.000 1.908 497 A HA -0.282 4.041 4.320 0.005 0.000 0.218 497 A C 2.232 179.824 177.584 0.014 0.000 1.181 497 A CA 1.719 53.764 52.037 0.013 0.000 0.627 497 A CB -1.021 17.994 19.000 0.025 0.000 0.818 497 A HN 0.506 nan 8.150 nan 0.000 0.445 498 F N 0.904 120.820 119.950 -0.057 0.000 2.095 498 F HA -0.154 4.376 4.527 0.005 0.000 0.298 498 F C 2.084 177.821 175.800 -0.106 0.000 1.104 498 F CA 2.046 59.996 58.000 -0.082 0.000 1.232 498 F CB -0.567 38.387 39.000 -0.078 0.000 0.987 498 F HN 0.010 nan 8.300 nan 0.000 0.475 499 V N 1.296 120.893 119.914 -0.528 0.000 2.407 499 V HA -0.263 3.860 4.120 0.005 0.000 0.248 499 V C 2.556 178.408 176.094 -0.403 0.000 1.055 499 V CA 2.214 64.155 62.300 -0.599 0.000 1.049 499 V CB -0.732 30.947 31.823 -0.240 0.000 0.662 499 V HN 0.312 nan 8.190 nan 0.000 0.455 500 R N 0.072 120.435 120.500 -0.229 0.000 2.096 500 R HA -0.094 4.249 4.340 0.005 0.000 0.235 500 R C 2.412 178.634 176.300 -0.130 0.000 1.127 500 R CA 1.374 57.386 56.100 -0.146 0.000 0.968 500 R CB -0.517 29.741 30.300 -0.070 0.000 0.861 500 R HN 0.542 nan 8.270 nan 0.000 0.440 501 A N 1.222 123.963 122.820 -0.131 0.000 1.898 501 A HA -0.108 4.215 4.320 0.005 0.000 0.216 501 A C 2.131 179.655 177.584 -0.100 0.000 1.181 501 A CA 0.878 52.938 52.037 0.038 0.000 0.620 501 A CB -0.482 18.510 19.000 -0.014 0.000 0.819 501 A HN 0.220 nan 8.150 nan 0.000 0.442 502 L N -0.235 120.713 121.223 -0.458 0.000 2.083 502 L HA -0.204 4.139 4.340 0.005 0.000 0.209 502 L C 2.299 178.978 176.870 -0.318 0.000 1.083 502 L CA 1.313 55.819 54.840 -0.557 0.000 0.752 502 L CB -0.469 41.093 42.059 -0.829 0.000 0.899 502 L HN 0.467 nan 8.230 nan 0.000 0.433 503 N N -0.490 118.050 118.700 -0.266 0.000 2.166 503 N HA -0.158 4.585 4.740 0.005 0.000 0.186 503 N C 1.765 177.168 175.510 -0.178 0.000 1.019 503 N CA 1.286 54.222 53.050 -0.189 0.000 0.856 503 N CB -0.040 38.351 38.487 -0.160 0.000 0.993 503 N HN 0.161 nan 8.380 nan 0.000 0.426 504 V N 1.729 121.519 119.914 -0.207 0.000 2.343 504 V HA -0.202 3.921 4.120 0.005 0.000 0.247 504 V C 2.355 178.273 176.094 -0.294 0.000 1.051 504 V CA 1.360 63.460 62.300 -0.334 0.000 1.036 504 V CB -0.362 31.054 31.823 -0.678 0.000 0.654 504 V HN 0.288 nan 8.190 nan 0.000 0.451 505 M N -0.839 118.649 119.600 -0.187 0.000 2.213 505 M HA -0.134 4.349 4.480 0.005 0.000 0.263 505 M C 1.997 178.249 176.300 -0.081 0.000 1.062 505 M CA 1.741 56.988 55.300 -0.087 0.000 1.105 505 M CB -0.405 32.183 32.600 -0.020 0.000 1.385 505 M HN 0.253 nan 8.290 nan 0.000 0.417 506 L N -0.265 120.895 121.223 -0.104 0.000 2.551 506 L HA -0.135 4.208 4.340 0.005 0.000 0.228 506 L C 1.870 178.699 176.870 -0.068 0.000 1.153 506 L CA 0.862 55.659 54.840 -0.072 0.000 0.851 506 L CB -0.328 41.685 42.059 -0.077 0.000 0.959 506 L HN 0.256 nan 8.230 nan 0.000 0.451 507 K N -0.721 119.623 120.400 -0.093 0.000 2.367 507 K HA 0.042 4.365 4.320 0.005 0.000 0.194 507 K C 0.692 177.249 176.600 -0.072 0.000 1.027 507 K CA -0.192 56.044 56.287 -0.085 0.000 1.075 507 K CB 0.199 32.632 32.500 -0.110 0.000 0.845 507 K HN 0.135 nan 8.250 nan 0.000 0.529 508 N N 2.267 120.927 118.700 -0.067 0.000 2.430 508 N HA -0.025 4.718 4.740 0.005 0.000 0.265 508 N C 0.631 176.129 175.510 -0.020 0.000 1.100 508 N CA 0.118 53.143 53.050 -0.042 0.000 0.961 508 N CB 0.935 39.406 38.487 -0.027 0.000 1.075 508 N HN 0.130 nan 8.380 nan 0.000 0.478 509 K N 1.639 122.030 120.400 -0.015 0.000 2.147 509 K HA -0.142 4.182 4.320 0.005 0.000 0.205 509 K C 1.629 178.229 176.600 0.000 0.000 1.049 509 K CA 1.136 57.418 56.287 -0.008 0.000 0.936 509 K CB -0.168 32.328 32.500 -0.006 0.000 0.722 509 K HN 0.373 nan 8.250 nan 0.000 0.446 510 S N 1.617 117.323 115.700 0.009 0.000 2.368 510 S HA -0.056 4.417 4.470 0.005 0.000 0.224 510 S C 1.934 176.540 174.600 0.011 0.000 1.029 510 S CA 1.043 59.254 58.200 0.017 0.000 0.988 510 S CB -0.254 62.967 63.200 0.035 0.000 0.838 510 S HN 0.539 nan 8.310 nan 0.000 0.462 511 I N -0.953 119.624 120.570 0.013 0.000 4.057 511 I HA 0.294 4.467 4.170 0.005 0.000 0.334 511 I C 1.757 177.881 176.117 0.011 0.000 1.308 511 I CA -0.012 61.291 61.300 0.005 0.000 1.125 511 I CB -0.203 37.808 38.000 0.018 0.000 1.034 511 I HN 0.174 nan 8.210 nan 0.000 0.401 512 K N 1.252 121.655 120.400 0.006 0.000 2.074 512 K HA -0.199 4.124 4.320 0.005 0.000 0.209 512 K C 0.909 177.521 176.600 0.019 0.000 1.048 512 K CA 2.180 58.470 56.287 0.006 0.000 0.926 512 K CB -0.515 31.979 32.500 -0.009 0.000 0.713 512 K HN 0.314 nan 8.250 nan 0.000 0.444 513 D N 0.108 120.513 120.400 0.009 0.000 2.349 513 D HA 0.012 4.655 4.640 0.005 0.000 0.224 513 D C 1.343 177.655 176.300 0.020 0.000 1.029 513 D CA 0.267 54.272 54.000 0.008 0.000 0.879 513 D CB 0.283 41.072 40.800 -0.018 0.000 0.906 513 D HN 0.205 nan 8.370 nan 0.000 0.528 514 R N 0.116 120.629 120.500 0.022 0.000 2.300 514 R HA 0.200 4.543 4.340 0.005 0.000 0.199 514 R C 0.784 177.130 176.300 0.077 0.000 0.920 514 R CA -0.120 55.992 56.100 0.021 0.000 1.046 514 R CB 0.086 30.351 30.300 -0.059 0.000 0.984 514 R HN 0.200 nan 8.270 nan 0.000 0.493 515 L N 1.360 122.655 121.223 0.120 0.000 2.416 515 L HA 0.178 4.521 4.340 0.005 0.000 0.272 515 L C 0.064 177.099 176.870 0.274 0.000 1.161 515 L CA -0.264 54.709 54.840 0.220 0.000 0.845 515 L CB 1.037 43.217 42.059 0.200 0.000 1.119 515 L HN -0.285 nan 8.230 nan 0.000 0.464 516 V N 4.064 124.177 119.914 0.332 0.000 2.320 516 V HA 0.256 4.379 4.120 0.005 0.000 0.268 516 V C -2.307 174.008 176.094 0.369 0.000 1.021 516 V CA -1.511 60.981 62.300 0.321 0.000 0.813 516 V CB 1.164 33.140 31.823 0.254 0.000 1.054 516 V HN 0.602 nan 8.190 nan 0.000 0.444 517 P HA 0.430 nan 4.420 nan 0.000 0.276 517 P C -0.578 176.926 177.300 0.340 0.000 1.235 517 P CA 0.134 63.464 63.100 0.383 0.000 0.772 517 P CB 0.808 32.678 31.700 0.282 0.000 0.871 518 I N 4.470 125.274 120.570 0.388 0.000 2.498 518 I HA 0.504 4.677 4.170 0.005 0.000 0.290 518 I C 0.154 176.523 176.117 0.420 0.000 1.032 518 I CA -0.921 60.572 61.300 0.321 0.000 1.073 518 I CB 1.637 39.768 38.000 0.219 0.000 1.251 518 I HN 0.227 nan 8.210 nan 0.000 0.426 519 I N 1.842 122.625 120.570 0.355 0.000 2.828 519 I HA 0.881 5.054 4.170 0.005 0.000 0.302 519 I C -0.530 175.803 176.117 0.359 0.000 1.101 519 I CA -0.930 60.617 61.300 0.412 0.000 1.031 519 I CB 2.401 40.642 38.000 0.402 0.000 1.231 519 I HN 0.559 nan 8.210 nan 0.000 0.427 520 A N 3.098 126.177 122.820 0.431 0.000 2.801 520 A HA 0.536 4.859 4.320 0.005 0.000 0.344 520 A C 0.199 177.979 177.584 0.327 0.000 1.322 520 A CA 0.134 52.373 52.037 0.336 0.000 0.913 520 A CB -0.206 19.029 19.000 0.391 0.000 1.140 520 A HN 1.030 nan 8.150 nan 0.000 0.487 521 D N 0.840 121.401 120.400 0.268 0.000 4.426 521 D HA -0.239 4.405 4.640 0.005 0.000 0.191 521 D C 0.268 176.747 176.300 0.298 0.000 0.908 521 D CA 2.399 56.544 54.000 0.241 0.000 2.019 521 D CB -1.285 39.634 40.800 0.198 0.000 1.119 521 D HN 0.647 nan 8.370 nan 0.000 0.419 522 E N 0.313 120.717 120.200 0.341 0.000 2.585 522 E HA 0.385 4.738 4.350 0.005 0.000 0.252 522 E C 0.495 177.327 176.600 0.387 0.000 0.981 522 E CA 0.790 57.383 56.400 0.321 0.000 0.943 522 E CB 0.680 30.576 29.700 0.326 0.000 0.923 522 E HN 0.421 nan 8.360 nan 0.000 0.486 523 A N 4.328 127.327 122.820 0.299 0.000 1.975 523 A HA 0.106 4.429 4.320 0.005 0.000 0.197 523 A C 1.703 179.352 177.584 0.109 0.000 1.537 523 A CA -0.037 52.174 52.037 0.289 0.000 0.972 523 A CB 0.231 19.454 19.000 0.372 0.000 1.019 523 A HN 0.521 nan 8.150 nan 0.000 0.488 524 R N 0.042 120.583 120.500 0.068 0.000 2.096 524 R HA -0.090 4.253 4.340 0.005 0.000 0.235 524 R C 1.904 178.143 176.300 -0.102 0.000 1.127 524 R CA 1.830 57.925 56.100 -0.008 0.000 0.968 524 R CB -0.592 29.722 30.300 0.024 0.000 0.861 524 R HN 0.468 nan 8.270 nan 0.000 0.440 525 T N 0.380 114.797 114.554 -0.229 0.000 2.849 525 T HA -0.114 4.239 4.350 0.005 0.000 0.270 525 T C 0.780 175.102 174.700 -0.630 0.000 1.066 525 T CA 1.193 62.992 62.100 -0.501 0.000 1.130 525 T CB -0.100 68.287 68.868 -0.801 0.000 0.864 525 T HN 0.132 nan 8.240 nan 0.000 0.481 526 F N 0.157 120.074 119.950 -0.055 0.000 2.639 526 F HA 0.450 4.980 4.527 0.005 0.000 0.302 526 F C 1.664 177.448 175.800 -0.027 0.000 1.097 526 F CA -0.853 57.116 58.000 -0.052 0.000 1.294 526 F CB -0.375 38.603 39.000 -0.037 0.000 1.027 526 F HN 0.161 nan 8.300 nan 0.000 0.550 527 G N 0.672 109.501 108.800 0.048 0.000 2.249 527 G HA2 -0.311 3.652 3.960 0.005 0.000 0.273 527 G HA3 -0.311 3.652 3.960 0.005 0.000 0.273 527 G C 0.991 175.867 174.900 -0.039 0.000 1.036 527 G CA 0.477 45.575 45.100 -0.003 0.000 0.824 527 G HN 0.209 nan 8.290 nan 0.000 0.504 528 M N 0.227 119.794 119.600 -0.055 0.000 2.502 528 M HA 0.067 4.550 4.480 0.005 0.000 0.243 528 M C 2.368 178.326 176.300 -0.570 0.000 1.130 528 M CA 1.175 56.367 55.300 -0.181 0.000 1.055 528 M CB -0.330 32.247 32.600 -0.037 0.000 1.457 528 M HN 0.639 nan 8.290 nan 0.000 0.488 529 E N 0.339 120.213 120.200 -0.543 0.000 2.153 529 E HA -0.145 4.208 4.350 0.005 0.000 0.194 529 E C 1.828 178.185 176.600 -0.406 0.000 0.988 529 E CA 1.791 57.762 56.400 -0.715 0.000 0.811 529 E CB -0.894 28.693 29.700 -0.189 0.000 0.746 529 E HN 0.429 nan 8.360 nan 0.000 0.466 530 G N 2.018 110.681 108.800 -0.229 0.000 2.442 530 G HA2 -0.211 3.752 3.960 0.005 0.000 0.219 530 G HA3 -0.211 3.752 3.960 0.005 0.000 0.219 530 G C 1.830 176.671 174.900 -0.098 0.000 1.141 530 G CA 0.992 46.024 45.100 -0.114 0.000 0.763 530 G HN 0.239 nan 8.290 nan 0.000 0.554 531 L N -0.407 120.715 121.223 -0.168 0.000 2.131 531 L HA -0.026 4.317 4.340 0.005 0.000 0.210 531 L C 2.647 179.568 176.870 0.084 0.000 1.092 531 L CA 0.415 55.214 54.840 -0.068 0.000 0.759 531 L CB -0.471 41.540 42.059 -0.080 0.000 0.903 531 L HN 0.071 nan 8.230 nan 0.000 0.435 532 F N 0.794 120.774 119.950 0.050 0.000 2.120 532 F HA -0.241 4.289 4.527 0.005 0.000 0.300 532 F C 2.697 178.522 175.800 0.041 0.000 1.095 532 F CA 1.270 59.304 58.000 0.056 0.000 1.249 532 F CB -0.927 38.107 39.000 0.057 0.000 0.995 532 F HN 0.074 nan 8.300 nan 0.000 0.480 533 R N -0.297 120.342 120.500 0.231 0.000 2.115 533 R HA -0.147 4.196 4.340 0.005 0.000 0.226 533 R C 2.107 178.460 176.300 0.088 0.000 1.100 533 R CA 1.240 57.418 56.100 0.129 0.000 0.980 533 R CB -0.594 29.759 30.300 0.088 0.000 0.875 533 R HN 0.408 nan 8.270 nan 0.000 0.445 534 Q N 1.280 121.126 119.800 0.076 0.000 2.033 534 Q HA -0.062 4.281 4.340 0.005 0.000 0.196 534 Q C 1.942 177.978 176.000 0.059 0.000 0.970 534 Q CA 1.367 57.199 55.803 0.047 0.000 0.828 534 Q CB 0.241 28.990 28.738 0.019 0.000 0.895 534 Q HN 0.496 nan 8.270 nan 0.000 0.440 535 I N -3.734 116.889 120.570 0.089 0.000 4.139 535 I HA 0.469 4.642 4.170 0.005 0.000 0.335 535 I C 0.722 176.918 176.117 0.131 0.000 1.327 535 I CA 0.149 61.508 61.300 0.098 0.000 1.112 535 I CB 0.599 38.659 38.000 0.100 0.000 1.058 535 I HN 0.197 nan 8.210 nan 0.000 0.396 536 G N 2.526 111.420 108.800 0.158 0.000 2.846 536 G HA2 -0.176 3.787 3.960 0.005 0.000 0.660 536 G HA3 -0.176 3.787 3.960 0.005 0.000 0.660 536 G C -0.789 174.217 174.900 0.177 0.000 1.464 536 G CA -0.440 44.746 45.100 0.144 0.000 0.891 536 G HN 0.324 nan 8.290 nan 0.000 0.552 537 I N 0.597 121.224 120.570 0.095 0.000 2.377 537 I HA 0.287 4.460 4.170 0.005 0.000 0.293 537 I C 0.231 176.433 176.117 0.141 0.000 0.987 537 I CA -0.878 60.479 61.300 0.095 0.000 1.185 537 I CB 1.700 39.639 38.000 -0.102 0.000 1.341 537 I HN 0.580 nan 8.210 nan 0.000 0.455 538 Y N 6.084 126.450 120.300 0.110 0.000 2.605 538 Y HA 0.127 4.680 4.550 0.005 0.000 0.336 538 Y C 0.279 176.211 175.900 0.053 0.000 1.111 538 Y CA 0.337 58.513 58.100 0.127 0.000 1.422 538 Y CB 0.497 39.114 38.460 0.261 0.000 1.193 538 Y HN 0.474 nan 8.280 nan 0.000 0.526 539 S N 9.249 124.687 115.700 -0.436 0.000 2.385 539 S HA 0.334 4.807 4.470 0.005 0.000 0.191 539 S C -2.806 171.497 174.600 -0.496 0.000 1.196 539 S CA -1.190 56.756 58.200 -0.424 0.000 1.178 539 S CB 0.367 63.442 63.200 -0.207 0.000 1.258 539 S HN 0.615 nan 8.310 nan 0.000 0.430 559 D N 0.075 120.427 120.400 -0.080 0.000 2.867 559 D HA 0.062 4.705 4.640 0.005 0.000 0.308 559 D C 0.848 177.049 176.300 -0.164 0.000 1.202 559 D CA -0.589 53.335 54.000 -0.126 0.000 1.035 559 D CB 0.024 40.770 40.800 -0.089 0.000 1.427 559 D HN 0.091 nan 8.370 nan 0.000 0.570 560 E N -0.226 119.842 120.200 -0.220 0.000 2.478 560 E HA -0.104 4.249 4.350 0.005 0.000 0.198 560 E C 0.376 177.000 176.600 0.040 0.000 1.046 560 E CA 0.589 56.836 56.400 -0.255 0.000 0.870 560 E CB -0.029 29.337 29.700 -0.558 0.000 0.818 560 E HN 0.252 nan 8.360 nan 0.000 0.527 561 K N 0.986 121.401 120.400 0.025 0.000 2.374 561 K HA 0.163 4.486 4.320 0.005 0.000 0.196 561 K C 0.833 177.490 176.600 0.094 0.000 1.023 561 K CA 0.492 56.806 56.287 0.045 0.000 1.103 561 K CB 0.443 32.947 32.500 0.006 0.000 0.848 561 K HN 0.144 nan 8.250 nan 0.000 0.528 562 G N 1.454 110.347 108.800 0.154 0.000 2.414 562 G HA2 -0.121 3.842 3.960 0.005 0.000 0.236 562 G HA3 -0.121 3.842 3.960 0.005 0.000 0.236 562 G C 0.540 175.622 174.900 0.303 0.000 1.293 562 G CA -0.109 45.111 45.100 0.199 0.000 0.869 562 G HN 0.248 nan 8.290 nan 0.000 0.556 563 Q N 1.337 121.292 119.800 0.258 0.000 2.297 563 Q HA 0.141 4.484 4.340 0.005 0.000 0.203 563 Q C 0.971 177.202 176.000 0.385 0.000 0.931 563 Q CA 0.037 56.024 55.803 0.307 0.000 0.885 563 Q CB 0.082 28.940 28.738 0.199 0.000 0.991 563 Q HN 0.655 nan 8.270 nan 0.000 0.498 564 I N 2.297 123.063 120.570 0.327 0.000 2.496 564 I HA 0.063 4.236 4.170 0.005 0.000 0.285 564 I C -0.413 175.878 176.117 0.290 0.000 1.080 564 I CA -0.220 61.268 61.300 0.313 0.000 1.404 564 I CB 0.922 39.139 38.000 0.363 0.000 1.403 564 I HN 0.143 nan 8.210 nan 0.000 0.539 565 L N 6.333 127.685 121.223 0.216 0.000 2.260 565 L HA 0.272 4.615 4.340 0.005 0.000 0.289 565 L C -0.138 176.852 176.870 0.201 0.000 1.057 565 L CA -0.477 54.465 54.840 0.169 0.000 0.811 565 L CB 1.022 43.103 42.059 0.036 0.000 1.184 565 L HN 0.554 nan 8.230 nan 0.000 0.429 566 Q N 3.094 123.013 119.800 0.199 0.000 2.431 566 Q HA 0.155 4.498 4.340 0.005 0.000 0.249 566 Q C -0.047 176.046 176.000 0.154 0.000 1.025 566 Q CA -0.082 55.831 55.803 0.184 0.000 0.835 566 Q CB 1.049 29.866 28.738 0.133 0.000 1.207 566 Q HN 0.406 nan 8.270 nan 0.000 0.490 567 E N 3.127 123.413 120.200 0.143 0.000 2.463 567 E HA 0.224 4.577 4.350 0.005 0.000 0.193 567 E C 0.658 177.325 176.600 0.112 0.000 1.041 567 E CA 0.495 56.969 56.400 0.123 0.000 0.879 567 E CB 0.204 29.932 29.700 0.047 0.000 0.997 567 E HN 0.920 nan 8.360 nan 0.000 0.478 568 G N 2.022 110.896 108.800 0.125 0.000 2.598 568 G HA2 -0.305 3.658 3.960 0.005 0.000 0.244 568 G HA3 -0.305 3.658 3.960 0.005 0.000 0.244 568 G C 0.052 175.019 174.900 0.111 0.000 1.302 568 G CA -0.265 44.901 45.100 0.110 0.000 0.903 568 G HN 0.244 nan 8.290 nan 0.000 0.575 569 I N 2.124 122.741 120.570 0.078 0.000 2.227 569 I HA 0.319 4.492 4.170 0.005 0.000 0.297 569 I C 0.452 176.580 176.117 0.019 0.000 1.173 569 I CA 0.065 61.398 61.300 0.054 0.000 1.356 569 I CB -0.061 37.953 38.000 0.023 0.000 1.485 569 I HN 0.452 nan 8.210 nan 0.000 0.604 570 N N 3.980 122.694 118.700 0.024 0.000 3.153 570 N HA 0.074 4.817 4.740 0.005 0.000 0.208 570 N C 0.325 175.803 175.510 -0.053 0.000 1.462 570 N CA -0.142 52.896 53.050 -0.020 0.000 0.754 570 N CB 0.701 39.190 38.487 0.005 0.000 1.558 570 N HN 0.218 nan 8.380 nan 0.000 0.605 571 E N 0.574 120.751 120.200 -0.038 0.000 2.110 571 E HA -0.070 4.283 4.350 0.005 0.000 0.193 571 E C 1.534 178.041 176.600 -0.155 0.000 0.988 571 E CA 0.889 57.273 56.400 -0.026 0.000 0.804 571 E CB 0.157 29.852 29.700 -0.009 0.000 0.745 571 E HN 0.528 nan 8.360 nan 0.000 0.458 572 L N 0.048 121.178 121.223 -0.156 0.000 2.056 572 L HA 0.002 4.345 4.340 0.005 0.000 0.207 572 L C 2.056 178.723 176.870 -0.340 0.000 1.078 572 L CA 2.118 56.845 54.840 -0.188 0.000 0.749 572 L CB -0.884 41.109 42.059 -0.110 0.000 0.901 572 L HN 0.183 nan 8.230 nan 0.000 0.433 573 G N -1.174 107.376 108.800 -0.417 0.000 2.418 573 G HA2 -0.233 3.730 3.960 0.005 0.000 0.217 573 G HA3 -0.233 3.730 3.960 0.005 0.000 0.217 573 G C 1.608 175.918 174.900 -0.983 0.000 1.158 573 G CA 0.726 45.233 45.100 -0.989 0.000 0.771 573 G HN 0.601 nan 8.290 nan 0.000 0.545 574 A N 0.868 123.336 122.820 -0.588 0.000 1.933 574 A HA 0.151 4.474 4.320 0.005 0.000 0.218 574 A C 2.688 179.808 177.584 -0.774 0.000 1.175 574 A CA 2.087 53.714 52.037 -0.683 0.000 0.628 574 A CB -1.005 17.495 19.000 -0.834 0.000 0.814 574 A HN 0.518 nan 8.150 nan 0.000 0.444 575 G N -1.113 107.326 108.800 -0.602 0.000 2.408 575 G HA2 -0.222 3.741 3.960 0.005 0.000 0.217 575 G HA3 -0.222 3.741 3.960 0.005 0.000 0.217 575 G C 1.537 176.360 174.900 -0.128 0.000 1.150 575 G CA 1.266 46.176 45.100 -0.317 0.000 0.776 575 G HN 0.521 nan 8.290 nan 0.000 0.542 576 C N 0.459 119.598 119.300 -0.269 0.000 2.440 576 C HA 0.044 4.507 4.460 0.005 0.000 0.278 576 C C 3.368 178.304 174.990 -0.089 0.000 1.295 576 C CA 1.147 60.073 59.018 -0.154 0.000 1.738 576 C CB -0.743 26.878 27.740 -0.200 0.000 1.987 576 C HN 0.398 nan 8.230 nan 0.000 0.492 577 S N -0.679 114.912 115.700 -0.181 0.000 2.368 577 S HA -0.203 4.270 4.470 0.005 0.000 0.224 577 S C 1.434 175.942 174.600 -0.153 0.000 1.029 577 S CA 1.362 59.527 58.200 -0.059 0.000 0.988 577 S CB -0.420 62.770 63.200 -0.016 0.000 0.838 577 S HN 0.823 nan 8.310 nan 0.000 0.462 578 W N 2.199 123.324 121.300 -0.291 0.000 2.338 578 W HA -0.166 4.497 4.660 0.005 0.000 0.304 578 W C 1.849 178.239 176.519 -0.215 0.000 1.212 578 W CA 1.193 58.405 57.345 -0.222 0.000 1.264 578 W CB -0.559 28.796 29.460 -0.175 0.000 1.142 578 W HN 0.268 nan 8.180 nan 0.000 0.512 579 L N 1.529 122.724 121.223 -0.047 0.000 2.046 579 L HA -0.016 4.327 4.340 0.005 0.000 0.208 579 L C 2.435 179.125 176.870 -0.300 0.000 1.077 579 L CA 2.723 57.447 54.840 -0.193 0.000 0.747 579 L CB -1.505 40.599 42.059 0.074 0.000 0.896 579 L HN 0.069 nan 8.230 nan 0.000 0.432 580 A N -0.411 122.232 122.820 -0.295 0.000 1.877 580 A HA -0.102 4.221 4.320 0.005 0.000 0.216 580 A C 2.461 179.558 177.584 -0.812 0.000 1.186 580 A CA 1.918 53.718 52.037 -0.396 0.000 0.620 580 A CB -1.213 17.594 19.000 -0.322 0.000 0.822 580 A HN 0.573 nan 8.150 nan 0.000 0.443 581 A N -0.166 121.962 122.820 -1.153 0.000 1.877 581 A HA 0.177 4.501 4.320 0.005 0.000 0.216 581 A C 2.426 179.709 177.584 -0.503 0.000 1.186 581 A CA 2.001 53.409 52.037 -1.050 0.000 0.620 581 A CB -1.005 17.590 19.000 -0.676 0.000 0.822 581 A HN 1.152 nan 8.150 nan 0.000 0.443 582 A N -0.662 121.797 122.820 -0.601 0.000 2.172 582 A HA 0.074 4.398 4.320 0.005 0.000 0.216 582 A C 1.855 179.386 177.584 -0.089 0.000 1.154 582 A CA 1.967 53.730 52.037 -0.457 0.000 0.701 582 A CB -0.772 17.578 19.000 -1.083 0.000 0.789 582 A HN 0.819 nan 8.150 nan 0.000 0.465 583 T N -4.981 109.472 114.554 -0.167 0.000 3.145 583 T HA 0.205 4.558 4.350 0.005 0.000 0.281 583 T C 1.345 175.889 174.700 -0.261 0.000 1.003 583 T CA 0.668 62.640 62.100 -0.212 0.000 0.901 583 T CB 0.107 68.880 68.868 -0.159 0.000 1.112 583 T HN 0.157 nan 8.240 nan 0.000 0.535 584 S N 1.435 117.077 115.700 -0.096 0.000 2.423 584 S HA -0.120 4.353 4.470 0.005 0.000 0.231 584 S C 1.861 176.472 174.600 0.019 0.000 1.014 584 S CA 1.200 59.413 58.200 0.023 0.000 0.965 584 S CB -0.638 62.667 63.200 0.176 0.000 0.785 584 S HN 0.813 nan 8.310 nan 0.000 0.495 585 Y N 0.834 121.193 120.300 0.098 0.000 2.274 585 Y HA 0.064 4.617 4.550 0.005 0.000 0.290 585 Y C 2.511 178.522 175.900 0.185 0.000 1.145 585 Y CA 1.460 59.648 58.100 0.146 0.000 1.203 585 Y CB -1.066 37.544 38.460 0.249 0.000 0.984 585 Y HN 0.307 nan 8.280 nan 0.000 0.533 586 S N -0.376 114.894 115.700 -0.717 0.000 2.398 586 S HA -0.073 4.400 4.470 0.005 0.000 0.220 586 S C 1.885 176.376 174.600 -0.181 0.000 1.046 586 S CA 1.075 59.018 58.200 -0.428 0.000 0.953 586 S CB -0.874 61.935 63.200 -0.652 0.000 0.856 586 S HN 0.570 nan 8.310 nan 0.000 0.506 587 T N 2.899 117.348 114.554 -0.175 0.000 2.720 587 T HA 0.004 4.357 4.350 0.005 0.000 0.268 587 T C 1.102 175.819 174.700 0.029 0.000 1.037 587 T CA 1.455 63.537 62.100 -0.031 0.000 1.144 587 T CB -0.277 68.635 68.868 0.073 0.000 0.864 587 T HN 0.467 nan 8.240 nan 0.000 0.444 588 N N 0.599 119.325 118.700 0.043 0.000 2.177 588 N HA 0.106 4.849 4.740 0.005 0.000 0.218 588 N C 0.103 175.655 175.510 0.069 0.000 1.182 588 N CA -0.021 53.068 53.050 0.064 0.000 0.882 588 N CB 0.241 38.782 38.487 0.090 0.000 1.052 588 N HN 0.227 nan 8.380 nan 0.000 0.519 589 N N 0.902 119.653 118.700 0.084 0.000 2.716 589 N HA -0.221 4.522 4.740 0.005 0.000 0.250 589 N C -1.234 174.357 175.510 0.135 0.000 1.033 589 N CA 0.311 53.447 53.050 0.143 0.000 0.727 589 N CB -1.203 37.358 38.487 0.123 0.000 0.950 589 N HN 0.331 nan 8.380 nan 0.000 0.541 590 L N 0.399 121.688 121.223 0.110 0.000 2.492 590 L HA 0.529 4.872 4.340 0.005 0.000 0.258 590 L C -2.390 174.503 176.870 0.037 0.000 1.028 590 L CA -1.582 53.295 54.840 0.061 0.000 0.900 590 L CB 1.370 43.467 42.059 0.062 0.000 1.191 590 L HN -0.045 nan 8.230 nan 0.000 0.459 591 P HA 0.073 nan 4.420 nan 0.000 0.260 591 P C -0.925 176.273 177.300 -0.170 0.000 1.207 591 P CA 0.369 63.367 63.100 -0.169 0.000 0.780 591 P CB 0.486 31.751 31.700 -0.724 0.000 0.789 592 M N 4.229 123.782 119.600 -0.077 0.000 2.578 592 M HA 0.471 4.954 4.480 0.005 0.000 0.321 592 M C 0.309 176.441 176.300 -0.281 0.000 1.182 592 M CA -0.838 54.403 55.300 -0.098 0.000 0.965 592 M CB 1.802 34.502 32.600 0.167 0.000 1.694 592 M HN 0.209 nan 8.290 nan 0.000 0.461 593 I N 4.357 124.779 120.570 -0.247 0.000 2.502 593 I HA 0.280 4.453 4.170 0.005 0.000 0.276 593 I C -2.242 173.828 176.117 -0.080 0.000 1.057 593 I CA -1.581 59.547 61.300 -0.287 0.000 1.163 593 I CB 1.510 39.332 38.000 -0.296 0.000 1.288 593 I HN 0.243 nan 8.210 nan 0.000 0.479 594 P HA 0.327 nan 4.420 nan 0.000 0.282 594 P C -1.073 176.256 177.300 0.048 0.000 1.249 594 P CA -0.267 62.851 63.100 0.030 0.000 0.806 594 P CB 1.016 32.623 31.700 -0.156 0.000 0.984 595 F N 2.016 122.266 119.950 0.500 0.000 2.716 595 F HA 0.236 4.766 4.527 0.005 0.000 0.354 595 F C -0.235 175.867 175.800 0.503 0.000 1.168 595 F CA -0.757 57.560 58.000 0.529 0.000 1.045 595 F CB 1.076 40.351 39.000 0.458 0.000 1.311 595 F HN 0.229 nan 8.300 nan 0.000 0.477 596 Y N 5.647 126.207 120.300 0.433 0.000 2.385 596 Y HA 0.625 5.178 4.550 0.005 0.000 0.341 596 Y C -1.034 174.943 175.900 0.129 0.000 0.965 596 Y CA -2.121 56.134 58.100 0.257 0.000 1.180 596 Y CB 0.729 39.245 38.460 0.094 0.000 1.139 596 Y HN 0.566 nan 8.280 nan 0.000 0.502 597 I N 9.222 129.804 120.570 0.020 0.000 2.441 597 I HA 0.536 4.709 4.170 0.005 0.000 0.295 597 I C -1.716 174.013 176.117 -0.646 0.000 0.994 597 I CA -0.693 60.263 61.300 -0.573 0.000 1.144 597 I CB 1.050 38.686 38.000 -0.607 0.000 1.314 597 I HN 0.687 nan 8.210 nan 0.000 0.445 598 Y N 3.715 123.488 120.300 -0.878 0.000 2.788 598 Y HA 0.438 4.991 4.550 0.005 0.000 0.335 598 Y C -1.913 173.880 175.900 -0.180 0.000 1.287 598 Y CA -1.484 56.361 58.100 -0.425 0.000 1.068 598 Y CB 0.242 38.486 38.460 -0.360 0.000 1.340 598 Y HN 0.351 nan 8.280 nan 0.000 0.449 599 Y N 2.079 122.582 120.300 0.337 0.000 2.496 599 Y HA 0.195 4.748 4.550 0.005 0.000 0.334 599 Y C 1.878 177.807 175.900 0.049 0.000 1.080 599 Y CA 0.959 59.194 58.100 0.225 0.000 1.355 599 Y CB 1.217 39.835 38.460 0.262 0.000 1.193 599 Y HN 0.800 nan 8.280 nan 0.000 0.523 600 S N 2.165 117.859 115.700 -0.012 0.000 2.402 600 S HA -0.340 4.133 4.470 0.005 0.000 0.233 600 S C 1.949 176.582 174.600 0.055 0.000 1.030 600 S CA 1.550 59.764 58.200 0.024 0.000 1.003 600 S CB -0.375 62.829 63.200 0.007 0.000 0.813 600 S HN 0.834 nan 8.310 nan 0.000 0.477 601 M N 1.140 120.630 119.600 -0.183 0.000 2.202 601 M HA 0.108 4.591 4.480 0.005 0.000 0.262 601 M C 0.351 176.475 176.300 -0.294 0.000 1.063 601 M CA 1.339 56.416 55.300 -0.373 0.000 1.097 601 M CB -0.700 31.484 32.600 -0.693 0.000 1.382 601 M HN 0.331 nan 8.290 nan 0.000 0.413 602 F N -0.552 119.476 119.950 0.130 0.000 2.713 602 F HA 0.438 4.968 4.527 0.005 0.000 0.294 602 F C 1.529 177.257 175.800 -0.120 0.000 1.152 602 F CA -0.355 57.664 58.000 0.031 0.000 1.385 602 F CB -1.542 37.482 39.000 0.040 0.000 0.981 602 F HN 0.104 nan 8.300 nan 0.000 0.514 603 G N -0.150 108.652 108.800 0.003 0.000 3.199 603 G HA2 0.044 4.007 3.960 0.005 0.000 0.184 603 G HA3 0.044 4.007 3.960 0.005 0.000 0.184 603 G C 1.133 175.810 174.900 -0.371 0.000 1.974 603 G CA -0.123 44.734 45.100 -0.406 0.000 0.885 603 G HN 0.116 nan 8.290 nan 0.000 0.575 604 F N 0.814 120.658 119.950 -0.177 0.000 2.154 604 F HA -0.128 4.402 4.527 0.005 0.000 0.301 604 F C 2.932 178.705 175.800 -0.045 0.000 1.087 604 F CA 1.850 59.773 58.000 -0.128 0.000 1.274 604 F CB -0.362 38.538 39.000 -0.167 0.000 1.009 604 F HN 0.284 nan 8.300 nan 0.000 0.485 605 Q N 0.128 120.016 119.800 0.147 0.000 2.124 605 Q HA -0.246 4.097 4.340 0.005 0.000 0.202 605 Q C 2.250 178.311 176.000 0.101 0.000 0.977 605 Q CA 1.652 57.539 55.803 0.140 0.000 0.850 605 Q CB 0.004 28.843 28.738 0.170 0.000 0.901 605 Q HN 0.188 nan 8.270 nan 0.000 0.429 606 R N 0.339 120.884 120.500 0.075 0.000 2.175 606 R HA 0.106 4.449 4.340 0.005 0.000 0.202 606 R C 1.373 177.667 176.300 -0.010 0.000 1.018 606 R CA 1.027 57.158 56.100 0.053 0.000 1.029 606 R CB 0.231 30.590 30.300 0.098 0.000 0.959 606 R HN 0.449 nan 8.270 nan 0.000 0.480 607 I N -3.306 117.224 120.570 -0.066 0.000 3.658 607 I HA 0.531 4.704 4.170 0.005 0.000 0.328 607 I C 0.986 177.071 176.117 -0.053 0.000 1.567 607 I CA -0.204 61.044 61.300 -0.086 0.000 1.078 607 I CB 0.885 38.784 38.000 -0.167 0.000 1.267 607 I HN 0.040 nan 8.210 nan 0.000 0.495 608 G N 1.288 110.097 108.800 0.015 0.000 2.475 608 G HA2 -0.303 3.660 3.960 0.005 0.000 0.220 608 G HA3 -0.303 3.660 3.960 0.005 0.000 0.220 608 G C 1.126 176.119 174.900 0.154 0.000 1.125 608 G CA 1.394 46.563 45.100 0.115 0.000 0.755 608 G HN 0.469 nan 8.290 nan 0.000 0.565 609 D N -0.436 120.025 120.400 0.103 0.000 2.183 609 D HA -0.026 4.617 4.640 0.005 0.000 0.203 609 D C 2.252 178.666 176.300 0.190 0.000 0.969 609 D CA 0.016 54.099 54.000 0.137 0.000 0.842 609 D CB -0.156 40.690 40.800 0.076 0.000 0.957 609 D HN 0.171 nan 8.370 nan 0.000 0.484 610 L N 0.071 121.364 121.223 0.117 0.000 2.156 610 L HA -0.091 4.253 4.340 0.005 0.000 0.208 610 L C 1.761 178.715 176.870 0.140 0.000 1.095 610 L CA 1.011 55.918 54.840 0.111 0.000 0.770 610 L CB -0.664 41.411 42.059 0.028 0.000 0.914 610 L HN 0.204 nan 8.230 nan 0.000 0.439 611 C N -1.027 118.349 119.300 0.127 0.000 2.440 611 C HA -0.190 4.274 4.460 0.005 0.000 0.278 611 C C 2.596 177.818 174.990 0.387 0.000 1.295 611 C CA 0.215 59.344 59.018 0.186 0.000 1.738 611 C CB -1.247 26.605 27.740 0.187 0.000 1.987 611 C HN 0.737 nan 8.230 nan 0.000 0.492 612 W N 1.668 123.082 121.300 0.190 0.000 2.379 612 W HA -0.120 4.543 4.660 0.005 0.000 0.307 612 W C 2.419 179.047 176.519 0.181 0.000 1.200 612 W CA 1.606 59.057 57.345 0.176 0.000 1.297 612 W CB -0.450 29.080 29.460 0.116 0.000 1.140 612 W HN 0.330 nan 8.180 nan 0.000 0.507 613 A N 0.871 123.891 122.820 0.333 0.000 1.933 613 A HA -0.103 4.220 4.320 0.005 0.000 0.218 613 A C 2.111 179.803 177.584 0.180 0.000 1.175 613 A CA 2.482 54.660 52.037 0.236 0.000 0.628 613 A CB -1.241 17.905 19.000 0.244 0.000 0.814 613 A HN 0.305 nan 8.150 nan 0.000 0.444 614 A N -0.458 122.488 122.820 0.209 0.000 1.933 614 A HA 0.126 4.449 4.320 0.005 0.000 0.218 614 A C 2.391 180.134 177.584 0.264 0.000 1.175 614 A CA 1.876 54.046 52.037 0.222 0.000 0.628 614 A CB -1.326 17.813 19.000 0.232 0.000 0.814 614 A HN 0.711 nan 8.150 nan 0.000 0.444 615 G N -0.281 108.688 108.800 0.282 0.000 2.418 615 G HA2 -0.294 3.669 3.960 0.005 0.000 0.217 615 G HA3 -0.294 3.669 3.960 0.005 0.000 0.217 615 G C 1.358 176.252 174.900 -0.010 0.000 1.158 615 G CA 1.364 46.551 45.100 0.144 0.000 0.771 615 G HN 0.505 nan 8.290 nan 0.000 0.545 616 D N 0.070 120.429 120.400 -0.069 0.000 2.144 616 D HA -0.106 4.537 4.640 0.005 0.000 0.199 616 D C 2.272 178.614 176.300 0.070 0.000 0.984 616 D CA 0.870 54.858 54.000 -0.020 0.000 0.834 616 D CB -0.255 40.573 40.800 0.046 0.000 0.955 616 D HN 0.438 nan 8.370 nan 0.000 0.465 617 Q N -0.512 119.347 119.800 0.098 0.000 2.444 617 Q HA 0.003 4.346 4.340 0.005 0.000 0.206 617 Q C -0.235 175.818 176.000 0.089 0.000 0.948 617 Q CA 0.084 55.940 55.803 0.087 0.000 0.946 617 Q CB 0.120 28.923 28.738 0.109 0.000 1.027 617 Q HN 0.150 nan 8.270 nan 0.000 0.513 618 Q N -1.533 118.340 119.800 0.122 0.000 2.478 618 Q HA -0.203 4.140 4.340 0.005 0.000 0.286 618 Q C -0.670 175.469 176.000 0.232 0.000 1.299 618 Q CA 0.912 56.815 55.803 0.167 0.000 0.826 618 Q CB -2.351 26.493 28.738 0.177 0.000 1.199 618 Q HN 0.489 nan 8.270 nan 0.000 0.451 619 A N 1.194 124.140 122.820 0.210 0.000 2.511 619 A HA 0.360 4.683 4.320 0.005 0.000 0.242 619 A C 0.441 178.126 177.584 0.168 0.000 1.069 619 A CA 0.266 52.365 52.037 0.103 0.000 0.763 619 A CB 0.363 19.320 19.000 -0.070 0.000 1.001 619 A HN 0.309 nan 8.150 nan 0.000 0.498 620 R N 2.053 122.589 120.500 0.059 0.000 2.358 620 R HA 0.554 4.897 4.340 0.005 0.000 0.309 620 R C 0.197 176.501 176.300 0.006 0.000 1.026 620 R CA 0.167 56.265 56.100 -0.003 0.000 0.909 620 R CB 1.753 31.858 30.300 -0.326 0.000 1.153 620 R HN 1.013 nan 8.270 nan 0.000 0.515 621 G N 1.534 110.340 108.800 0.010 0.000 2.554 621 G HA2 0.478 4.441 3.960 0.005 0.000 0.306 621 G HA3 0.478 4.441 3.960 0.005 0.000 0.306 621 G C -1.791 173.199 174.900 0.150 0.000 1.320 621 G CA -0.591 44.511 45.100 0.003 0.000 0.800 621 G HN 0.216 nan 8.290 nan 0.000 0.481 622 F N 0.394 120.614 119.950 0.450 0.000 2.477 622 F HA 0.565 5.095 4.527 0.005 0.000 0.335 622 F C 0.196 176.231 175.800 0.393 0.000 1.130 622 F CA -0.606 57.634 58.000 0.399 0.000 0.948 622 F CB 2.099 41.172 39.000 0.123 0.000 1.154 622 F HN 0.089 nan 8.300 nan 0.000 0.439 623 L N 5.385 126.830 121.223 0.370 0.000 2.255 623 L HA 0.409 4.752 4.340 0.005 0.000 0.289 623 L C -0.595 176.394 176.870 0.200 0.000 1.046 623 L CA -0.498 54.415 54.840 0.122 0.000 0.816 623 L CB 0.580 42.623 42.059 -0.027 0.000 1.197 623 L HN 0.418 nan 8.230 nan 0.000 0.427 624 I N 3.470 123.974 120.570 -0.110 0.000 2.307 624 I HA 0.207 4.380 4.170 0.005 0.000 0.287 624 I C 0.960 176.619 176.117 -0.763 0.000 1.054 624 I CA -0.176 60.873 61.300 -0.419 0.000 1.218 624 I CB 0.987 38.536 38.000 -0.751 0.000 1.398 624 I HN 0.564 nan 8.210 nan 0.000 0.475 625 G N 5.553 114.025 108.800 -0.546 0.000 2.519 625 G HA2 0.428 4.391 3.960 0.005 0.000 0.306 625 G HA3 0.428 4.391 3.960 0.005 0.000 0.306 625 G C 0.592 175.193 174.900 -0.498 0.000 0.965 625 G CA -0.288 44.454 45.100 -0.597 0.000 1.291 625 G HN 0.727 nan 8.290 nan 0.000 0.450 626 G N 1.339 109.751 108.800 -0.647 0.000 2.621 626 G HA2 0.461 4.425 3.960 0.005 0.000 0.271 626 G HA3 0.461 4.425 3.960 0.005 0.000 0.271 626 G C 0.969 175.836 174.900 -0.055 0.000 1.236 626 G CA 0.454 45.365 45.100 -0.315 0.000 0.958 626 G HN 1.599 nan 8.290 nan 0.000 0.512 627 T N -2.458 112.131 114.554 0.058 0.000 3.622 627 T HA -0.216 4.137 4.350 0.005 0.000 0.380 627 T C 0.606 175.320 174.700 0.023 0.000 0.764 627 T CA 0.839 62.956 62.100 0.028 0.000 1.908 627 T CB -2.626 66.233 68.868 -0.013 0.000 1.771 627 T HN 1.723 nan 8.240 nan 0.000 0.706 628 S N -0.311 115.384 115.700 -0.008 0.000 2.681 628 S HA 0.775 5.248 4.470 0.005 0.000 0.270 628 S C 0.821 175.366 174.600 -0.092 0.000 1.209 628 S CA -0.131 58.056 58.200 -0.021 0.000 0.988 628 S CB 1.516 64.747 63.200 0.051 0.000 1.006 628 S HN 2.419 nan 8.310 nan 0.000 0.558 629 G N 0.575 109.205 108.800 -0.283 0.000 3.039 629 G HA2 -0.115 3.848 3.960 0.005 0.000 0.686 629 G HA3 -0.115 3.848 3.960 0.005 0.000 0.686 629 G C -0.034 174.647 174.900 -0.364 0.000 1.066 629 G CA -0.034 44.770 45.100 -0.493 0.000 0.774 629 G HN 0.876 nan 8.290 nan 0.000 0.591 630 R N 0.600 120.817 120.500 -0.471 0.000 2.083 630 R HA -0.076 4.267 4.340 0.005 0.000 0.237 630 R C 3.027 179.192 176.300 -0.224 0.000 1.137 630 R CA 3.281 59.156 56.100 -0.376 0.000 0.951 630 R CB -0.459 29.459 30.300 -0.636 0.000 0.851 630 R HN 1.121 nan 8.270 nan 0.000 0.434 631 T N -3.873 110.564 114.554 -0.195 0.000 3.081 631 T HA 0.057 4.410 4.350 0.005 0.000 0.255 631 T C 1.454 176.153 174.700 -0.002 0.000 1.113 631 T CA 1.042 63.122 62.100 -0.033 0.000 1.082 631 T CB 0.061 68.926 68.868 -0.005 0.000 0.939 631 T HN 0.170 nan 8.240 nan 0.000 0.506 632 T N 1.815 116.350 114.554 -0.030 0.000 2.978 632 T HA 0.232 4.585 4.350 0.005 0.000 0.262 632 T C 0.662 175.378 174.700 0.027 0.000 1.063 632 T CA 0.111 62.221 62.100 0.016 0.000 1.140 632 T CB -0.187 68.694 68.868 0.022 0.000 0.886 632 T HN 0.265 nan 8.240 nan 0.000 0.470 633 L N 4.573 125.808 121.223 0.019 0.000 2.598 633 L HA 0.328 4.671 4.340 0.005 0.000 0.241 633 L C 1.327 178.224 176.870 0.045 0.000 1.244 633 L CA -0.595 54.272 54.840 0.045 0.000 1.198 633 L CB -0.661 41.446 42.059 0.080 0.000 1.448 633 L HN 0.106 nan 8.230 nan 0.000 0.406 634 N N 0.616 119.342 118.700 0.043 0.000 2.120 634 N HA -0.160 4.583 4.740 0.005 0.000 0.188 634 N C 1.378 176.912 175.510 0.040 0.000 1.024 634 N CA 1.408 54.488 53.050 0.050 0.000 0.852 634 N CB -0.378 38.141 38.487 0.053 0.000 1.003 634 N HN 0.517 nan 8.380 nan 0.000 0.424 635 G N 0.657 109.470 108.800 0.021 0.000 2.464 635 G HA2 -0.113 3.850 3.960 0.005 0.000 0.217 635 G HA3 -0.113 3.850 3.960 0.005 0.000 0.217 635 G C 1.459 176.346 174.900 -0.022 0.000 1.138 635 G CA 0.048 45.150 45.100 0.003 0.000 0.793 635 G HN 0.210 nan 8.290 nan 0.000 0.539 636 E N 0.618 120.792 120.200 -0.043 0.000 2.153 636 E HA 0.101 4.454 4.350 0.005 0.000 0.194 636 E C 1.832 178.406 176.600 -0.044 0.000 0.988 636 E CA 0.777 57.088 56.400 -0.149 0.000 0.811 636 E CB -0.323 29.225 29.700 -0.252 0.000 0.746 636 E HN 0.453 nan 8.360 nan 0.000 0.466 637 G N 0.745 109.576 108.800 0.052 0.000 2.568 637 G HA2 -0.327 3.636 3.960 0.005 0.000 0.222 637 G HA3 -0.327 3.636 3.960 0.005 0.000 0.222 637 G C 0.622 175.625 174.900 0.172 0.000 1.321 637 G CA -0.024 45.138 45.100 0.103 0.000 0.893 637 G HN 0.299 nan 8.290 nan 0.000 0.569 638 L N -0.126 121.197 121.223 0.166 0.000 2.043 638 L HA -0.091 4.252 4.340 0.005 0.000 0.212 638 L C 2.640 179.647 176.870 0.229 0.000 1.075 638 L CA 2.828 57.788 54.840 0.201 0.000 0.752 638 L CB -0.194 41.927 42.059 0.103 0.000 0.891 638 L HN 0.695 nan 8.230 nan 0.000 0.432 639 Q N -2.225 117.712 119.800 0.229 0.000 2.280 639 Q HA -0.020 4.323 4.340 0.005 0.000 0.201 639 Q C 0.727 176.751 176.000 0.040 0.000 0.890 639 Q CA 0.063 55.976 55.803 0.182 0.000 0.947 639 Q CB 0.403 29.242 28.738 0.168 0.000 1.081 639 Q HN 0.621 nan 8.270 nan 0.000 0.502 640 H N -0.738 118.355 119.070 0.039 0.000 2.926 640 H HA 0.170 4.729 4.556 0.005 0.000 0.249 640 H C -0.224 175.066 175.328 -0.063 0.000 0.963 640 H CA -0.114 55.892 56.048 -0.071 0.000 1.158 640 H CB 0.806 30.571 29.762 0.005 0.000 1.445 640 H HN 0.050 nan 8.280 nan 0.000 0.452 641 E N 2.253 122.528 120.200 0.126 0.000 2.081 641 E HA 0.018 4.371 4.350 0.005 0.000 0.270 641 E C -0.686 175.892 176.600 -0.036 0.000 1.180 641 E CA -0.197 56.226 56.400 0.038 0.000 0.926 641 E CB 0.375 30.110 29.700 0.059 0.000 1.035 641 E HN 0.237 nan 8.360 nan 0.000 0.418 642 D N 2.589 122.910 120.400 -0.131 0.000 2.380 642 D HA 0.163 4.806 4.640 0.005 0.000 0.230 642 D C 0.410 176.504 176.300 -0.343 0.000 1.154 642 D CA -0.459 53.392 54.000 -0.247 0.000 0.859 642 D CB 0.764 41.436 40.800 -0.214 0.000 1.045 642 D HN 0.454 nan 8.370 nan 0.000 0.495 643 G N 2.992 111.657 108.800 -0.225 0.000 3.863 643 G HA2 0.034 3.997 3.960 0.005 0.000 0.290 643 G HA3 0.034 3.997 3.960 0.005 0.000 0.290 643 G C 0.511 175.518 174.900 0.179 0.000 1.018 643 G CA -0.392 44.543 45.100 -0.275 0.000 0.824 643 G HN 0.713 nan 8.290 nan 0.000 0.507 644 H N -2.132 117.044 119.070 0.176 0.000 3.770 644 H HA 0.052 4.611 4.556 0.005 0.000 0.264 644 H C 1.567 176.935 175.328 0.066 0.000 1.164 644 H CA 0.687 56.807 56.048 0.121 0.000 1.158 644 H CB -0.421 29.347 29.762 0.009 0.000 1.653 644 H HN 0.222 nan 8.280 nan 0.000 0.795 645 S N 0.605 116.234 115.700 -0.118 0.000 2.419 645 S HA -0.182 4.291 4.470 0.005 0.000 0.233 645 S C 1.550 176.001 174.600 -0.248 0.000 1.016 645 S CA 1.049 59.189 58.200 -0.100 0.000 0.974 645 S CB -0.796 62.436 63.200 0.054 0.000 0.786 645 S HN 0.467 nan 8.310 nan 0.000 0.492 646 H N 0.941 119.832 119.070 -0.299 0.000 2.491 646 H HA 0.129 4.688 4.556 0.005 0.000 0.290 646 H C 1.829 176.993 175.328 -0.273 0.000 1.050 646 H CA 1.226 57.015 56.048 -0.432 0.000 1.309 646 H CB -0.030 29.047 29.762 -1.142 0.000 1.392 646 H HN 0.389 nan 8.280 nan 0.000 0.554 647 I N 0.741 121.258 120.570 -0.089 0.000 2.353 647 I HA -0.176 3.997 4.170 0.005 0.000 0.248 647 I C 2.131 178.202 176.117 -0.077 0.000 1.119 647 I CA 0.966 62.257 61.300 -0.015 0.000 1.417 647 I CB -0.812 37.214 38.000 0.043 0.000 1.078 647 I HN 0.231 nan 8.210 nan 0.000 0.421 648 Q N 0.541 120.260 119.800 -0.134 0.000 2.083 648 Q HA -0.128 4.215 4.340 0.005 0.000 0.198 648 Q C 2.397 178.121 176.000 -0.461 0.000 0.969 648 Q CA 2.009 57.700 55.803 -0.187 0.000 0.838 648 Q CB -0.125 28.567 28.738 -0.076 0.000 0.900 648 Q HN 0.572 nan 8.270 nan 0.000 0.436 649 S N 1.030 116.218 115.700 -0.854 0.000 2.423 649 S HA -0.129 4.344 4.470 0.005 0.000 0.231 649 S C 1.922 176.254 174.600 -0.447 0.000 1.014 649 S CA 1.059 58.573 58.200 -1.142 0.000 0.965 649 S CB -0.456 61.955 63.200 -1.315 0.000 0.785 649 S HN 0.421 nan 8.310 nan 0.000 0.495 650 L N 1.819 122.907 121.223 -0.226 0.000 2.465 650 L HA 0.198 4.541 4.340 0.005 0.000 0.224 650 L C 2.140 178.976 176.870 -0.056 0.000 1.145 650 L CA 1.451 56.236 54.840 -0.092 0.000 0.834 650 L CB -1.984 40.075 42.059 -0.001 0.000 0.944 650 L HN 0.458 nan 8.230 nan 0.000 0.451 651 T N -2.533 111.990 114.554 -0.052 0.000 3.085 651 T HA 0.195 4.549 4.350 0.005 0.000 0.263 651 T C 0.845 175.670 174.700 0.209 0.000 1.127 651 T CA 0.205 62.344 62.100 0.064 0.000 1.103 651 T CB -0.642 68.263 68.868 0.062 0.000 0.921 651 T HN 0.329 nan 8.240 nan 0.000 0.510 652 I N 2.640 123.266 120.570 0.093 0.000 2.301 652 I HA 0.262 4.435 4.170 0.005 0.000 0.292 652 I C -1.632 174.417 176.117 -0.113 0.000 1.046 652 I CA -2.625 58.703 61.300 0.047 0.000 1.282 652 I CB 1.750 39.766 38.000 0.027 0.000 1.409 652 I HN -0.073 nan 8.210 nan 0.000 0.484 653 P HA -0.179 nan 4.420 nan 0.000 0.216 653 P C 0.511 177.702 177.300 -0.182 0.000 1.150 653 P CA 1.383 64.400 63.100 -0.139 0.000 0.843 653 P CB -0.013 31.608 31.700 -0.133 0.000 0.787 654 N N -2.103 116.451 118.700 -0.243 0.000 2.321 654 N HA 0.042 4.786 4.740 0.005 0.000 0.242 654 N C -0.894 174.349 175.510 -0.446 0.000 1.141 654 N CA -0.444 52.453 53.050 -0.255 0.000 0.864 654 N CB -1.092 37.293 38.487 -0.170 0.000 1.100 654 N HN 0.038 nan 8.380 nan 0.000 0.510 655 C N 1.510 120.503 119.300 -0.512 0.000 2.303 655 C HA 0.597 5.060 4.460 0.005 0.000 0.326 655 C C -0.564 174.215 174.990 -0.351 0.000 1.285 655 C CA -0.930 57.696 59.018 -0.654 0.000 1.675 655 C CB -0.663 26.759 27.740 -0.530 0.000 2.289 655 C HN 0.338 nan 8.230 nan 0.000 0.512 656 I N 6.055 126.420 120.570 -0.342 0.000 2.312 656 I HA 0.336 4.509 4.170 0.005 0.000 0.290 656 I C 0.431 176.343 176.117 -0.342 0.000 1.008 656 I CA 0.279 61.320 61.300 -0.432 0.000 1.226 656 I CB 1.122 38.694 38.000 -0.714 0.000 1.371 656 I HN 0.662 nan 8.210 nan 0.000 0.468 657 S N 6.524 122.057 115.700 -0.278 0.000 2.472 657 S HA 0.719 5.192 4.470 0.005 0.000 0.303 657 S C -0.969 173.508 174.600 -0.205 0.000 1.099 657 S CA -0.439 57.746 58.200 -0.025 0.000 1.077 657 S CB 1.325 64.651 63.200 0.210 0.000 1.031 657 S HN 0.352 nan 8.310 nan 0.000 0.487 658 Y N 0.675 121.055 120.300 0.134 0.000 2.512 658 Y HA 0.426 4.980 4.550 0.005 0.000 0.348 658 Y C -0.298 175.637 175.900 0.059 0.000 0.990 658 Y CA -0.970 57.172 58.100 0.070 0.000 1.033 658 Y CB 1.814 40.312 38.460 0.063 0.000 1.259 658 Y HN 0.581 nan 8.280 nan 0.000 0.461 659 D N 3.757 124.249 120.400 0.153 0.000 2.513 659 D HA 0.272 4.915 4.640 0.005 0.000 0.295 659 D C -2.895 173.476 176.300 0.119 0.000 1.202 659 D CA -2.117 51.941 54.000 0.097 0.000 0.849 659 D CB 0.818 41.595 40.800 -0.038 0.000 1.116 659 D HN 0.054 nan 8.370 nan 0.000 0.502 660 P HA 0.165 nan 4.420 nan 0.000 0.271 660 P C 0.131 177.428 177.300 -0.005 0.000 1.218 660 P CA -0.207 62.921 63.100 0.046 0.000 0.780 660 P CB 1.983 33.704 31.700 0.034 0.000 0.901 661 A N 2.093 124.830 122.820 -0.138 0.000 2.014 661 A HA 0.153 4.476 4.320 0.005 0.000 0.210 661 A C 0.246 177.701 177.584 -0.216 0.000 1.188 661 A CA 0.955 52.829 52.037 -0.272 0.000 0.731 661 A CB -0.386 18.191 19.000 -0.706 0.000 0.858 661 A HN 0.532 nan 8.150 nan 0.000 0.464 662 Y N -2.509 117.752 120.300 -0.064 0.000 2.549 662 Y HA 0.614 5.167 4.550 0.005 0.000 0.339 662 Y C 1.392 177.144 175.900 -0.247 0.000 1.053 662 Y CA -1.255 56.727 58.100 -0.196 0.000 1.105 662 Y CB 1.302 39.429 38.460 -0.555 0.000 1.258 662 Y HN 0.056 nan 8.280 nan 0.000 0.478 663 A N 1.341 124.182 122.820 0.034 0.000 1.908 663 A HA -0.247 4.076 4.320 0.005 0.000 0.218 663 A C 1.779 179.373 177.584 0.017 0.000 1.181 663 A CA 2.265 54.310 52.037 0.014 0.000 0.627 663 A CB -1.361 17.658 19.000 0.033 0.000 0.818 663 A HN 0.905 nan 8.150 nan 0.000 0.445 664 Y N -0.441 119.915 120.300 0.093 0.000 2.352 664 Y HA 0.028 4.581 4.550 0.005 0.000 0.292 664 Y C 1.771 177.695 175.900 0.039 0.000 1.136 664 Y CA 1.064 59.190 58.100 0.043 0.000 1.227 664 Y CB -0.805 37.663 38.460 0.014 0.000 0.991 664 Y HN 0.400 nan 8.280 nan 0.000 0.545 665 E N 0.808 120.893 120.200 -0.191 0.000 2.106 665 E HA -0.113 4.240 4.350 0.005 0.000 0.192 665 E C 2.269 178.846 176.600 -0.038 0.000 0.984 665 E CA 1.347 57.720 56.400 -0.044 0.000 0.806 665 E CB -0.213 29.445 29.700 -0.071 0.000 0.750 665 E HN 0.375 nan 8.360 nan 0.000 0.458 666 V N 1.628 121.521 119.914 -0.034 0.000 2.287 666 V HA -0.320 3.803 4.120 0.005 0.000 0.248 666 V C 2.357 178.417 176.094 -0.057 0.000 1.053 666 V CA 1.976 64.268 62.300 -0.013 0.000 1.027 666 V CB -0.775 31.065 31.823 0.030 0.000 0.646 666 V HN 0.340 nan 8.190 nan 0.000 0.447 667 A N -0.264 122.519 122.820 -0.063 0.000 1.858 667 A HA -0.175 4.148 4.320 0.005 0.000 0.216 667 A C 2.395 179.816 177.584 -0.272 0.000 1.190 667 A CA 2.215 54.136 52.037 -0.193 0.000 0.617 667 A CB -0.784 18.184 19.000 -0.054 0.000 0.827 667 A HN 0.333 nan 8.150 nan 0.000 0.443 668 V N 0.238 120.085 119.914 -0.111 0.000 2.343 668 V HA -0.284 3.839 4.120 0.005 0.000 0.247 668 V C 2.438 178.490 176.094 -0.070 0.000 1.051 668 V CA 2.112 64.370 62.300 -0.070 0.000 1.036 668 V CB -0.731 31.087 31.823 -0.009 0.000 0.654 668 V HN 0.569 nan 8.190 nan 0.000 0.451 669 I N -0.855 119.641 120.570 -0.124 0.000 2.179 669 I HA -0.301 3.872 4.170 0.005 0.000 0.242 669 I C 2.507 178.606 176.117 -0.029 0.000 1.088 669 I CA 1.861 63.057 61.300 -0.173 0.000 1.357 669 I CB -0.302 37.485 38.000 -0.354 0.000 1.051 669 I HN 0.263 nan 8.210 nan 0.000 0.409 670 M N -0.612 118.950 119.600 -0.063 0.000 2.175 670 M HA -0.225 4.258 4.480 0.005 0.000 0.264 670 M C 2.505 178.730 176.300 -0.124 0.000 1.063 670 M CA 1.551 56.807 55.300 -0.073 0.000 1.119 670 M CB -0.730 31.764 32.600 -0.177 0.000 1.377 670 M HN 0.348 nan 8.290 nan 0.000 0.415 671 H N -0.018 118.845 119.070 -0.346 0.000 2.321 671 H HA -0.189 4.371 4.556 0.005 0.000 0.300 671 H C 1.481 176.781 175.328 -0.047 0.000 1.087 671 H CA 2.176 58.073 56.048 -0.252 0.000 1.319 671 H CB -0.122 29.433 29.762 -0.344 0.000 1.379 671 H HN 0.314 nan 8.280 nan 0.000 0.501 672 D N -0.234 120.104 120.400 -0.103 0.000 2.117 672 D HA -0.084 4.559 4.640 0.005 0.000 0.197 672 D C 2.453 178.684 176.300 -0.115 0.000 0.987 672 D CA 1.570 55.524 54.000 -0.077 0.000 0.829 672 D CB -0.754 40.090 40.800 0.073 0.000 0.961 672 D HN 0.537 nan 8.370 nan 0.000 0.460 673 G N 0.281 108.955 108.800 -0.210 0.000 2.440 673 G HA2 -0.243 3.720 3.960 0.005 0.000 0.218 673 G HA3 -0.243 3.720 3.960 0.005 0.000 0.218 673 G C 1.565 176.380 174.900 -0.142 0.000 1.154 673 G CA 0.839 45.560 45.100 -0.632 0.000 0.767 673 G HN 0.322 nan 8.290 nan 0.000 0.552 674 L N 0.650 121.945 121.223 0.121 0.000 2.012 674 L HA -0.036 4.307 4.340 0.005 0.000 0.210 674 L C 2.757 179.677 176.870 0.083 0.000 1.073 674 L CA 2.032 57.000 54.840 0.214 0.000 0.748 674 L CB -0.628 41.531 42.059 0.165 0.000 0.891 674 L HN 0.336 nan 8.230 nan 0.000 0.431 675 E N -1.085 119.061 120.200 -0.090 0.000 2.110 675 E HA -0.223 4.130 4.350 0.005 0.000 0.193 675 E C 2.291 178.873 176.600 -0.030 0.000 0.988 675 E CA 1.090 57.447 56.400 -0.071 0.000 0.804 675 E CB -0.043 29.558 29.700 -0.165 0.000 0.745 675 E HN 0.484 nan 8.360 nan 0.000 0.458 676 R N 0.050 120.521 120.500 -0.047 0.000 2.066 676 R HA -0.052 4.291 4.340 0.005 0.000 0.232 676 R C 2.383 178.626 176.300 -0.095 0.000 1.131 676 R CA 1.500 57.577 56.100 -0.039 0.000 0.955 676 R CB -0.143 30.169 30.300 0.020 0.000 0.851 676 R HN 0.176 nan 8.270 nan 0.000 0.432 677 M N -1.402 118.110 119.600 -0.145 0.000 2.287 677 M HA -0.051 4.432 4.480 0.005 0.000 0.266 677 M C 0.859 176.832 176.300 -0.546 0.000 1.079 677 M CA 1.479 56.562 55.300 -0.362 0.000 1.146 677 M CB 0.230 32.576 32.600 -0.423 0.000 1.374 677 M HN 0.105 nan 8.290 nan 0.000 0.435 678 Y N -0.219 120.117 120.300 0.060 0.000 2.481 678 Y HA 0.391 4.944 4.550 0.005 0.000 0.247 678 Y C 1.335 177.388 175.900 0.255 0.000 1.151 678 Y CA -0.665 57.556 58.100 0.202 0.000 1.238 678 Y CB -0.015 38.498 38.460 0.088 0.000 1.179 678 Y HN 0.043 nan 8.280 nan 0.000 0.524 679 G N -0.278 108.629 108.800 0.178 0.000 2.532 679 G HA2 0.123 4.086 3.960 0.005 0.000 0.291 679 G HA3 0.123 4.086 3.960 0.005 0.000 0.291 679 G C 0.544 175.468 174.900 0.039 0.000 1.349 679 G CA -0.360 44.813 45.100 0.121 0.000 1.038 679 G HN 0.234 nan 8.290 nan 0.000 0.518 680 E N -0.843 119.362 120.200 0.008 0.000 2.265 680 E HA -0.130 4.223 4.350 0.005 0.000 0.196 680 E C 2.184 178.728 176.600 -0.094 0.000 0.996 680 E CA 0.908 57.276 56.400 -0.053 0.000 0.832 680 E CB 0.080 29.764 29.700 -0.027 0.000 0.756 680 E HN 0.511 nan 8.360 nan 0.000 0.491 681 K N 0.838 121.195 120.400 -0.071 0.000 2.097 681 K HA -0.184 4.139 4.320 0.005 0.000 0.206 681 K C 0.305 176.825 176.600 -0.133 0.000 1.049 681 K CA 1.008 57.245 56.287 -0.083 0.000 0.933 681 K CB 0.131 32.597 32.500 -0.056 0.000 0.717 681 K HN 0.008 nan 8.250 nan 0.000 0.442 682 Q N 1.168 120.862 119.800 -0.176 0.000 2.439 682 Q HA -0.202 4.141 4.340 0.005 0.000 0.325 682 Q C -1.012 174.856 176.000 -0.220 0.000 1.372 682 Q CA 0.615 56.260 55.803 -0.263 0.000 0.909 682 Q CB -1.361 27.164 28.738 -0.356 0.000 1.167 682 Q HN 0.467 nan 8.270 nan 0.000 0.418 683 E N 0.844 120.938 120.200 -0.176 0.000 2.344 683 E HA 0.043 4.397 4.350 0.005 0.000 0.270 683 E C -0.076 176.438 176.600 -0.143 0.000 1.021 683 E CA -0.332 55.994 56.400 -0.123 0.000 0.887 683 E CB 0.571 30.230 29.700 -0.069 0.000 0.997 683 E HN 0.175 nan 8.360 nan 0.000 0.429 684 N N 4.443 123.088 118.700 -0.093 0.000 2.807 684 N HA 0.109 4.852 4.740 0.005 0.000 0.259 684 N C -0.843 174.652 175.510 -0.026 0.000 1.149 684 N CA 0.084 53.100 53.050 -0.057 0.000 1.042 684 N CB 0.443 38.925 38.487 -0.008 0.000 1.367 684 N HN 0.275 nan 8.380 nan 0.000 0.516 685 V N -0.763 119.145 119.914 -0.010 0.000 3.147 685 V HA 0.709 4.832 4.120 0.005 0.000 0.306 685 V C -1.096 175.080 176.094 0.136 0.000 1.209 685 V CA -1.194 61.110 62.300 0.006 0.000 1.023 685 V CB 1.666 33.490 31.823 0.001 0.000 1.059 685 V HN 0.319 nan 8.190 nan 0.000 0.435 686 Y N 0.532 120.917 120.300 0.141 0.000 2.598 686 Y HA 0.900 5.453 4.550 0.005 0.000 0.340 686 Y C -1.454 174.620 175.900 0.290 0.000 1.038 686 Y CA -1.750 56.483 58.100 0.222 0.000 1.100 686 Y CB 1.400 40.094 38.460 0.390 0.000 1.281 686 Y HN 0.648 nan 8.280 nan 0.000 0.488 687 Y N 1.152 121.597 120.300 0.242 0.000 2.420 687 Y HA 0.474 5.027 4.550 0.005 0.000 0.334 687 Y C -1.126 175.060 175.900 0.476 0.000 1.094 687 Y CA -1.495 56.748 58.100 0.237 0.000 1.126 687 Y CB 1.689 40.183 38.460 0.058 0.000 1.217 687 Y HN 0.687 nan 8.280 nan 0.000 0.462 688 Y N 3.930 124.440 120.300 0.350 0.000 2.346 688 Y HA 0.671 5.224 4.550 0.005 0.000 0.332 688 Y C -1.601 174.476 175.900 0.295 0.000 0.985 688 Y CA -1.936 56.352 58.100 0.313 0.000 1.112 688 Y CB 0.698 39.332 38.460 0.290 0.000 1.170 688 Y HN 0.477 nan 8.280 nan 0.000 0.447 689 I N 6.139 126.635 120.570 -0.123 0.000 2.447 689 I HA 0.316 4.489 4.170 0.005 0.000 0.287 689 I C -0.371 175.478 176.117 -0.447 0.000 1.023 689 I CA -0.933 60.277 61.300 -0.151 0.000 1.083 689 I CB 2.243 40.300 38.000 0.096 0.000 1.245 689 I HN 0.641 nan 8.210 nan 0.000 0.434 690 T N 1.557 115.869 114.554 -0.402 0.000 2.869 690 T HA 0.541 4.894 4.350 0.005 0.000 0.295 690 T C 0.176 174.811 174.700 -0.108 0.000 0.987 690 T CA -0.599 61.338 62.100 -0.273 0.000 1.109 690 T CB 1.218 70.084 68.868 -0.003 0.000 0.932 690 T HN 0.710 nan 8.240 nan 0.000 0.518 691 T N 0.634 115.109 114.554 -0.132 0.000 2.907 691 T HA 0.757 5.110 4.350 0.005 0.000 0.290 691 T C -0.550 174.132 174.700 -0.029 0.000 1.066 691 T CA -1.121 60.938 62.100 -0.070 0.000 1.012 691 T CB 1.043 69.847 68.868 -0.108 0.000 1.184 691 T HN 0.567 nan 8.240 nan 0.000 0.522 692 L N 1.675 122.898 121.223 0.000 0.000 2.319 692 L HA 0.571 4.915 4.340 0.005 0.000 0.267 692 L C 0.755 177.625 176.870 0.001 0.000 1.011 692 L CA -1.177 53.672 54.840 0.014 0.000 0.818 692 L CB 1.638 43.725 42.059 0.047 0.000 1.316 692 L HN 0.899 nan 8.230 nan 0.000 0.432 693 N N -0.328 118.374 118.700 0.004 0.000 2.214 693 N HA 0.020 4.763 4.740 0.005 0.000 0.214 693 N C -0.255 175.247 175.510 -0.013 0.000 1.132 693 N CA -0.201 52.841 53.050 -0.014 0.000 0.856 693 N CB 0.534 39.003 38.487 -0.031 0.000 1.020 693 N HN 0.706 nan 8.380 nan 0.000 0.509 694 E N 0.841 121.036 120.200 -0.008 0.000 2.151 694 E HA 0.234 4.587 4.350 0.005 0.000 0.275 694 E C -1.019 175.509 176.600 -0.120 0.000 0.936 694 E CA -0.655 55.755 56.400 0.018 0.000 0.777 694 E CB 0.684 30.472 29.700 0.146 0.000 1.108 694 E HN 0.079 nan 8.360 nan 0.000 0.401 695 N N 3.380 122.037 118.700 -0.073 0.000 2.499 695 N HA 0.259 5.002 4.740 0.005 0.000 0.281 695 N C -1.043 174.453 175.510 -0.024 0.000 1.098 695 N CA 0.107 53.072 53.050 -0.142 0.000 0.979 695 N CB 0.702 39.163 38.487 -0.042 0.000 1.121 695 N HN 0.416 nan 8.380 nan 0.000 0.466 696 Y N -2.596 117.755 120.300 0.085 0.000 2.764 696 Y HA 0.328 4.882 4.550 0.005 0.000 0.331 696 Y C -0.229 175.753 175.900 0.136 0.000 1.280 696 Y CA -1.241 56.925 58.100 0.110 0.000 1.065 696 Y CB 0.527 39.053 38.460 0.110 0.000 1.319 696 Y HN 0.447 nan 8.280 nan 0.000 0.453 697 H N 3.123 122.395 119.070 0.336 0.000 2.886 697 H HA 0.242 4.801 4.556 0.005 0.000 0.329 697 H C -0.938 174.544 175.328 0.256 0.000 1.044 697 H CA 0.297 56.468 56.048 0.207 0.000 1.456 697 H CB 0.731 30.568 29.762 0.125 0.000 1.464 697 H HN 0.552 nan 8.280 nan 0.000 0.573 698 M N 8.448 127.801 119.600 -0.412 0.000 2.036 698 M HA 0.243 4.726 4.480 0.005 0.000 0.337 698 M C -2.435 173.515 176.300 -0.583 0.000 1.012 698 M CA -2.246 52.869 55.300 -0.309 0.000 0.962 698 M CB 1.153 33.693 32.600 -0.100 0.000 1.423 698 M HN 0.496 nan 8.290 nan 0.000 0.405 699 P HA 0.309 nan 4.420 nan 0.000 0.274 699 P C -0.531 176.729 177.300 -0.066 0.000 1.256 699 P CA -0.373 62.567 63.100 -0.266 0.000 0.795 699 P CB 0.852 32.450 31.700 -0.169 0.000 1.038 700 A N 1.934 124.708 122.820 -0.077 0.000 2.332 700 A HA 0.349 4.672 4.320 0.005 0.000 0.258 700 A C 0.654 177.960 177.584 -0.463 0.000 1.087 700 A CA -0.616 51.335 52.037 -0.144 0.000 0.802 700 A CB -0.243 18.689 19.000 -0.114 0.000 1.042 700 A HN 0.704 nan 8.150 nan 0.000 0.489 701 M N 1.766 120.878 119.600 -0.814 0.000 2.239 701 M HA 0.237 4.720 4.480 0.005 0.000 0.348 701 M C -2.204 173.731 176.300 -0.609 0.000 1.239 701 M CA -1.268 53.188 55.300 -1.405 0.000 1.114 701 M CB 0.318 32.325 32.600 -0.988 0.000 1.641 701 M HN 0.322 nan 8.290 nan 0.000 0.453 702 P HA 0.051 nan 4.420 nan 0.000 0.271 702 P C -1.251 175.940 177.300 -0.181 0.000 1.216 702 P CA -0.108 62.876 63.100 -0.193 0.000 0.776 702 P CB 0.452 32.121 31.700 -0.052 0.000 0.881 703 E N 1.862 121.992 120.200 -0.116 0.000 2.452 703 E HA 0.157 4.510 4.350 0.005 0.000 0.261 703 E C 1.031 177.586 176.600 -0.075 0.000 0.987 703 E CA 0.804 57.148 56.400 -0.093 0.000 0.926 703 E CB -0.362 29.302 29.700 -0.060 0.000 0.934 703 E HN 0.756 nan 8.360 nan 0.000 0.452 704 G N 2.850 111.606 108.800 -0.074 0.000 2.162 704 G HA2 -0.365 3.598 3.960 0.005 0.000 0.260 704 G HA3 -0.365 3.598 3.960 0.005 0.000 0.260 704 G C 0.761 175.625 174.900 -0.061 0.000 0.976 704 G CA 0.541 45.611 45.100 -0.049 0.000 0.655 704 G HN 0.758 nan 8.290 nan 0.000 0.533 705 A N -0.211 122.528 122.820 -0.133 0.000 2.208 705 A HA 0.435 4.758 4.320 0.005 0.000 0.209 705 A C 1.846 179.299 177.584 -0.219 0.000 1.161 705 A CA 1.695 53.591 52.037 -0.235 0.000 0.782 705 A CB -0.198 18.512 19.000 -0.484 0.000 0.816 705 A HN 0.562 nan 8.150 nan 0.000 0.477 706 E N 0.290 120.414 120.200 -0.126 0.000 2.049 706 E HA -0.259 4.094 4.350 0.005 0.000 0.198 706 E C 1.872 178.457 176.600 -0.026 0.000 1.007 706 E CA 1.699 58.056 56.400 -0.072 0.000 0.809 706 E CB -0.208 29.467 29.700 -0.042 0.000 0.749 706 E HN 0.641 nan 8.360 nan 0.000 0.450 707 E N 0.142 120.346 120.200 0.007 0.000 2.106 707 E HA -0.081 4.272 4.350 0.005 0.000 0.192 707 E C 2.093 178.722 176.600 0.049 0.000 0.984 707 E CA 1.400 57.822 56.400 0.037 0.000 0.806 707 E CB -0.657 29.083 29.700 0.067 0.000 0.750 707 E HN 0.277 nan 8.360 nan 0.000 0.458 708 G N 0.471 109.333 108.800 0.102 0.000 2.432 708 G HA2 -0.215 3.749 3.960 0.005 0.000 0.219 708 G HA3 -0.215 3.749 3.960 0.005 0.000 0.219 708 G C 1.665 176.667 174.900 0.169 0.000 1.135 708 G CA 0.859 46.089 45.100 0.218 0.000 0.767 708 G HN 0.320 nan 8.290 nan 0.000 0.550 709 I N 0.068 120.667 120.570 0.048 0.000 2.252 709 I HA -0.141 4.032 4.170 0.005 0.000 0.245 709 I C 3.044 179.235 176.117 0.124 0.000 1.102 709 I CA 0.921 62.282 61.300 0.101 0.000 1.385 709 I CB -0.147 37.853 38.000 0.000 0.000 1.064 709 I HN 0.094 nan 8.210 nan 0.000 0.414 710 R N 0.606 121.146 120.500 0.066 0.000 2.075 710 R HA -0.109 4.234 4.340 0.005 0.000 0.232 710 R C 2.243 178.609 176.300 0.109 0.000 1.126 710 R CA 0.957 57.119 56.100 0.104 0.000 0.963 710 R CB -0.220 30.118 30.300 0.063 0.000 0.858 710 R HN 0.222 nan 8.270 nan 0.000 0.435 711 K N -0.906 119.434 120.400 -0.100 0.000 2.217 711 K HA -0.000 4.323 4.320 0.005 0.000 0.202 711 K C 1.391 177.821 176.600 -0.284 0.000 1.051 711 K CA 1.364 57.416 56.287 -0.390 0.000 0.952 711 K CB 0.424 32.241 32.500 -1.139 0.000 0.736 711 K HN 0.509 nan 8.250 nan 0.000 0.453 712 G N 0.881 109.640 108.800 -0.070 0.000 2.367 712 G HA2 -0.119 3.844 3.960 0.005 0.000 0.181 712 G HA3 -0.119 3.844 3.960 0.005 0.000 0.181 712 G C 0.070 174.960 174.900 -0.016 0.000 1.000 712 G CA -0.103 44.970 45.100 -0.046 0.000 0.693 712 G HN 0.272 nan 8.290 nan 0.000 0.480 713 I N 0.135 120.780 120.570 0.125 0.000 2.828 713 I HA 0.647 4.820 4.170 0.005 0.000 0.295 713 I C -1.709 174.645 176.117 0.396 0.000 1.459 713 I CA -1.471 59.924 61.300 0.158 0.000 1.015 713 I CB 1.902 39.909 38.000 0.012 0.000 1.345 713 I HN 0.496 nan 8.210 nan 0.000 0.449 714 Y N 3.768 124.200 120.300 0.219 0.000 2.592 714 Y HA 0.475 5.028 4.550 0.005 0.000 0.334 714 Y C -1.604 174.451 175.900 0.258 0.000 1.136 714 Y CA -1.345 56.898 58.100 0.239 0.000 1.042 714 Y CB 0.794 39.368 38.460 0.190 0.000 1.325 714 Y HN 0.530 nan 8.280 nan 0.000 0.457 715 K N 2.743 123.261 120.400 0.197 0.000 2.312 715 K HA 0.373 4.696 4.320 0.005 0.000 0.287 715 K C -0.188 176.377 176.600 -0.057 0.000 1.062 715 K CA -0.318 55.894 56.287 -0.125 0.000 0.934 715 K CB 0.713 33.131 32.500 -0.136 0.000 1.027 715 K HN 0.995 nan 8.250 nan 0.000 0.478 716 L N 3.046 124.160 121.223 -0.181 0.000 2.068 716 L HA -0.031 4.312 4.340 0.005 0.000 0.204 716 L C 0.585 177.452 176.870 -0.004 0.000 1.076 716 L CA 1.124 55.960 54.840 -0.005 0.000 0.753 716 L CB 0.033 42.089 42.059 -0.005 0.000 0.910 716 L HN 0.808 nan 8.230 nan 0.000 0.439 717 E N -2.684 117.462 120.200 -0.089 0.000 2.422 717 E HA 0.300 4.654 4.350 0.005 0.000 0.280 717 E C -1.306 175.230 176.600 -0.106 0.000 1.091 717 E CA -0.853 55.509 56.400 -0.062 0.000 0.849 717 E CB 1.430 31.119 29.700 -0.018 0.000 1.353 717 E HN -0.304 nan 8.360 nan 0.000 0.449 718 T N 1.197 115.713 114.554 -0.063 0.000 2.848 718 T HA 0.539 4.892 4.350 0.005 0.000 0.285 718 T C -0.594 174.092 174.700 -0.023 0.000 0.995 718 T CA -0.523 61.544 62.100 -0.055 0.000 0.970 718 T CB 0.576 69.418 68.868 -0.043 0.000 0.976 718 T HN 0.350 nan 8.240 nan 0.000 0.441 719 I N 2.612 123.176 120.570 -0.011 0.000 2.404 719 I HA 0.366 4.540 4.170 0.005 0.000 0.293 719 I C 0.291 176.416 176.117 0.014 0.000 0.992 719 I CA -1.040 60.264 61.300 0.005 0.000 1.149 719 I CB 1.610 39.618 38.000 0.014 0.000 1.315 719 I HN 0.365 nan 8.210 nan 0.000 0.446 720 E N 3.630 123.839 120.200 0.015 0.000 2.373 720 E HA 0.607 4.960 4.350 0.005 0.000 0.263 720 E C -0.003 176.613 176.600 0.028 0.000 1.073 720 E CA -0.072 56.340 56.400 0.019 0.000 0.894 720 E CB 1.700 31.409 29.700 0.015 0.000 1.008 720 E HN 0.850 nan 8.360 nan 0.000 0.420 721 G N -0.375 108.443 108.800 0.031 0.000 2.717 721 G HA2 0.215 4.178 3.960 0.005 0.000 0.300 721 G HA3 0.215 4.178 3.960 0.005 0.000 0.300 721 G C 0.095 175.016 174.900 0.036 0.000 1.424 721 G CA -0.010 45.114 45.100 0.039 0.000 1.033 721 G HN 0.371 nan 8.290 nan 0.000 0.577 722 S N 0.438 116.159 115.700 0.035 0.000 2.535 722 S HA 0.116 4.590 4.470 0.005 0.000 0.214 722 S C 1.345 175.967 174.600 0.035 0.000 0.980 722 S CA 0.120 58.338 58.200 0.031 0.000 0.907 722 S CB 0.182 63.397 63.200 0.024 0.000 0.790 722 S HN 0.485 nan 8.310 nan 0.000 0.510 723 K N 0.892 121.319 120.400 0.046 0.000 2.367 723 K HA 0.423 4.746 4.320 0.005 0.000 0.194 723 K C 0.816 177.445 176.600 0.049 0.000 1.027 723 K CA 0.316 56.633 56.287 0.050 0.000 1.075 723 K CB 0.702 33.242 32.500 0.067 0.000 0.845 723 K HN 0.477 nan 8.250 nan 0.000 0.529 724 G N 0.834 109.663 108.800 0.048 0.000 2.356 724 G HA2 0.346 4.309 3.960 0.005 0.000 0.294 724 G HA3 0.346 4.309 3.960 0.005 0.000 0.294 724 G C -2.137 172.789 174.900 0.044 0.000 1.423 724 G CA -0.788 44.338 45.100 0.043 0.000 0.806 724 G HN -0.071 nan 8.290 nan 0.000 0.527 725 K N -0.553 119.872 120.400 0.042 0.000 2.535 725 K HA 0.731 5.054 4.320 0.005 0.000 0.251 725 K C -0.551 176.080 176.600 0.052 0.000 0.942 725 K CA -0.316 55.998 56.287 0.046 0.000 0.798 725 K CB 1.939 34.464 32.500 0.042 0.000 1.267 725 K HN 1.467 nan 8.250 nan 0.000 0.434 726 V N -0.458 119.493 119.914 0.061 0.000 3.167 726 V HA 0.663 4.787 4.120 0.005 0.000 0.310 726 V C -1.233 174.925 176.094 0.106 0.000 1.207 726 V CA -0.903 61.442 62.300 0.076 0.000 1.059 726 V CB 1.991 33.854 31.823 0.066 0.000 1.079 726 V HN 0.769 nan 8.190 nan 0.000 0.446 727 Q N 0.970 120.855 119.800 0.142 0.000 2.342 727 Q HA 0.774 5.117 4.340 0.005 0.000 0.267 727 Q C -1.591 174.539 176.000 0.216 0.000 1.038 727 Q CA -0.650 55.291 55.803 0.231 0.000 0.832 727 Q CB 2.750 31.647 28.738 0.266 0.000 1.323 727 Q HN 0.700 nan 8.270 nan 0.000 0.448 728 L N 3.183 124.553 121.223 0.246 0.000 2.381 728 L HA 0.542 4.885 4.340 0.005 0.000 0.274 728 L C -1.318 175.704 176.870 0.254 0.000 0.988 728 L CA -0.812 54.145 54.840 0.194 0.000 0.824 728 L CB 1.298 43.428 42.059 0.118 0.000 1.263 728 L HN 0.334 nan 8.230 nan 0.000 0.410 729 L N 2.394 123.755 121.223 0.230 0.000 2.362 729 L HA 0.951 5.294 4.340 0.005 0.000 0.271 729 L C 0.301 177.286 176.870 0.191 0.000 1.002 729 L CA -0.109 54.866 54.840 0.225 0.000 0.818 729 L CB 2.069 44.285 42.059 0.262 0.000 1.298 729 L HN 0.628 nan 8.230 nan 0.000 0.420 730 G N 0.072 108.951 108.800 0.133 0.000 2.690 730 G HA2 0.746 4.709 3.960 0.005 0.000 0.291 730 G HA3 0.746 4.709 3.960 0.005 0.000 0.291 730 G C -1.563 173.392 174.900 0.090 0.000 1.403 730 G CA -0.173 45.006 45.100 0.133 0.000 0.864 730 G HN 0.693 nan 8.290 nan 0.000 0.480 731 S N -1.141 114.646 115.700 0.145 0.000 2.638 731 S HA 0.864 5.337 4.470 0.005 0.000 0.274 731 S C 0.832 175.507 174.600 0.124 0.000 1.157 731 S CA 0.713 58.982 58.200 0.115 0.000 0.826 731 S CB 1.280 64.615 63.200 0.226 0.000 1.139 731 S HN 2.713 nan 8.310 nan 0.000 0.474 732 G N 2.068 110.927 108.800 0.098 0.000 2.594 732 G HA2 -0.346 3.617 3.960 0.005 0.000 0.297 732 G HA3 -0.346 3.617 3.960 0.005 0.000 0.297 732 G C 1.086 176.038 174.900 0.087 0.000 1.273 732 G CA 1.588 46.762 45.100 0.123 0.000 0.974 732 G HN 2.219 nan 8.290 nan 0.000 0.552 733 S N -0.491 115.294 115.700 0.142 0.000 2.515 733 S HA 0.109 4.582 4.470 0.005 0.000 0.231 733 S C 2.094 176.771 174.600 0.129 0.000 0.987 733 S CA 1.473 59.770 58.200 0.162 0.000 0.936 733 S CB 0.081 63.409 63.200 0.213 0.000 0.766 733 S HN 0.547 nan 8.310 nan 0.000 0.528 734 I N 1.064 121.710 120.570 0.126 0.000 3.226 734 I HA 0.152 4.325 4.170 0.005 0.000 0.277 734 I C 2.049 178.240 176.117 0.123 0.000 1.243 734 I CA 0.235 61.646 61.300 0.185 0.000 1.459 734 I CB -1.127 36.938 38.000 0.109 0.000 1.093 734 I HN 0.334 nan 8.210 nan 0.000 0.453 735 L N 2.426 123.651 121.223 0.003 0.000 2.043 735 L HA -0.211 4.132 4.340 0.005 0.000 0.212 735 L C 2.791 179.603 176.870 -0.097 0.000 1.075 735 L CA 1.918 56.722 54.840 -0.060 0.000 0.752 735 L CB -0.633 41.318 42.059 -0.181 0.000 0.891 735 L HN 0.320 nan 8.230 nan 0.000 0.432 736 R N -2.096 118.264 120.500 -0.234 0.000 2.189 736 R HA -0.147 4.196 4.340 0.005 0.000 0.223 736 R C 1.849 177.954 176.300 -0.325 0.000 1.092 736 R CA 1.558 57.480 56.100 -0.297 0.000 0.989 736 R CB -0.972 29.025 30.300 -0.504 0.000 0.876 736 R HN 0.536 nan 8.270 nan 0.000 0.457 737 H N 0.175 119.211 119.070 -0.056 0.000 2.448 737 H HA 0.069 4.628 4.556 0.005 0.000 0.292 737 H C 2.192 177.519 175.328 -0.002 0.000 1.035 737 H CA 1.280 57.317 56.048 -0.018 0.000 1.349 737 H CB 0.318 30.078 29.762 -0.003 0.000 1.425 737 H HN 0.066 nan 8.280 nan 0.000 0.539 738 V N 1.434 121.403 119.914 0.091 0.000 2.358 738 V HA -0.210 3.913 4.120 0.005 0.000 0.246 738 V C 2.467 178.588 176.094 0.044 0.000 1.047 738 V CA 1.445 63.789 62.300 0.072 0.000 1.035 738 V CB -0.327 31.541 31.823 0.075 0.000 0.658 738 V HN 0.342 nan 8.190 nan 0.000 0.452 739 R N -0.037 120.475 120.500 0.020 0.000 2.096 739 R HA -0.199 4.144 4.340 0.005 0.000 0.235 739 R C 2.342 178.652 176.300 0.017 0.000 1.127 739 R CA 1.630 57.742 56.100 0.021 0.000 0.968 739 R CB -0.331 29.986 30.300 0.027 0.000 0.861 739 R HN 0.653 nan 8.270 nan 0.000 0.440 740 E N 1.074 121.273 120.200 -0.002 0.000 2.077 740 E HA -0.202 4.151 4.350 0.005 0.000 0.193 740 E C 1.967 178.586 176.600 0.032 0.000 0.989 740 E CA 1.236 57.641 56.400 0.008 0.000 0.800 740 E CB -0.042 29.657 29.700 -0.002 0.000 0.746 740 E HN 0.349 nan 8.360 nan 0.000 0.452 741 A N 1.276 124.117 122.820 0.034 0.000 1.908 741 A HA -0.134 4.189 4.320 0.005 0.000 0.218 741 A C 2.425 180.045 177.584 0.060 0.000 1.181 741 A CA 1.906 53.965 52.037 0.036 0.000 0.627 741 A CB -0.845 18.174 19.000 0.031 0.000 0.818 741 A HN 0.442 nan 8.150 nan 0.000 0.445 742 A N -0.372 122.480 122.820 0.053 0.000 1.908 742 A HA -0.179 4.144 4.320 0.005 0.000 0.218 742 A C 1.958 179.580 177.584 0.064 0.000 1.181 742 A CA 1.805 53.875 52.037 0.055 0.000 0.627 742 A CB -0.423 18.600 19.000 0.039 0.000 0.818 742 A HN 0.477 nan 8.150 nan 0.000 0.445 743 E N -0.074 120.160 120.200 0.057 0.000 2.072 743 E HA -0.121 4.232 4.350 0.005 0.000 0.191 743 E C 2.010 178.661 176.600 0.085 0.000 0.985 743 E CA 1.036 57.471 56.400 0.058 0.000 0.801 743 E CB -0.454 29.272 29.700 0.043 0.000 0.750 743 E HN 0.737 nan 8.360 nan 0.000 0.452 744 I N 0.918 121.554 120.570 0.109 0.000 2.179 744 I HA -0.281 3.892 4.170 0.005 0.000 0.242 744 I C 2.494 178.765 176.117 0.257 0.000 1.088 744 I CA 0.876 62.281 61.300 0.175 0.000 1.357 744 I CB -0.284 37.841 38.000 0.209 0.000 1.051 744 I HN 0.036 nan 8.210 nan 0.000 0.409 745 L N 0.398 121.763 121.223 0.237 0.000 2.042 745 L HA -0.236 4.107 4.340 0.005 0.000 0.210 745 L C 2.799 179.806 176.870 0.229 0.000 1.076 745 L CA 1.549 56.556 54.840 0.280 0.000 0.749 745 L CB -0.658 41.488 42.059 0.145 0.000 0.893 745 L HN 0.262 nan 8.230 nan 0.000 0.432 746 A N -0.019 122.883 122.820 0.138 0.000 1.872 746 A HA -0.184 4.139 4.320 0.005 0.000 0.214 746 A C 2.293 179.920 177.584 0.071 0.000 1.187 746 A CA 1.596 53.689 52.037 0.093 0.000 0.614 746 A CB -0.270 18.768 19.000 0.063 0.000 0.826 746 A HN 0.316 nan 8.150 nan 0.000 0.442 747 K N -0.633 119.803 120.400 0.060 0.000 2.116 747 K HA -0.042 4.281 4.320 0.005 0.000 0.203 747 K C 0.899 177.478 176.600 -0.035 0.000 1.052 747 K CA 1.344 57.642 56.287 0.018 0.000 0.952 747 K CB -0.029 32.483 32.500 0.021 0.000 0.729 747 K HN 0.328 nan 8.250 nan 0.000 0.446 748 D N -1.121 119.239 120.400 -0.068 0.000 2.355 748 D HA 0.008 4.651 4.640 0.005 0.000 0.206 748 D C 0.654 176.609 176.300 -0.574 0.000 1.010 748 D CA 0.838 54.634 54.000 -0.340 0.000 0.875 748 D CB 0.370 40.894 40.800 -0.461 0.000 0.966 748 D HN 0.223 nan 8.370 nan 0.000 0.512 749 Y N -0.838 119.487 120.300 0.042 0.000 2.527 749 Y HA 0.320 4.873 4.550 0.005 0.000 0.247 749 Y C 1.614 177.531 175.900 0.029 0.000 1.138 749 Y CA -0.081 58.040 58.100 0.035 0.000 1.228 749 Y CB 1.084 39.573 38.460 0.048 0.000 1.252 749 Y HN -0.045 nan 8.280 nan 0.000 0.531 750 G N 1.094 109.969 108.800 0.124 0.000 2.168 750 G HA2 -0.282 3.681 3.960 0.005 0.000 0.257 750 G HA3 -0.282 3.681 3.960 0.005 0.000 0.257 750 G C -0.209 174.750 174.900 0.098 0.000 0.997 750 G CA 0.435 45.587 45.100 0.087 0.000 0.708 750 G HN 0.142 nan 8.290 nan 0.000 0.520 751 V N 0.948 120.941 119.914 0.132 0.000 2.385 751 V HA 0.656 4.780 4.120 0.005 0.000 0.269 751 V C 1.278 177.420 176.094 0.080 0.000 1.043 751 V CA 0.032 62.393 62.300 0.101 0.000 0.906 751 V CB 1.131 33.016 31.823 0.104 0.000 0.995 751 V HN 0.610 nan 8.190 nan 0.000 0.467 752 G N 3.812 112.648 108.800 0.059 0.000 2.562 752 G HA2 0.629 4.592 3.960 0.005 0.000 0.275 752 G HA3 0.629 4.592 3.960 0.005 0.000 0.275 752 G C -0.233 174.694 174.900 0.046 0.000 1.196 752 G CA 0.033 45.161 45.100 0.047 0.000 0.908 752 G HN 0.985 nan 8.290 nan 0.000 0.524 753 S N -0.508 115.212 115.700 0.034 0.000 2.535 753 S HA 0.410 4.883 4.470 0.005 0.000 0.272 753 S C -1.690 172.909 174.600 -0.002 0.000 1.149 753 S CA -1.023 57.197 58.200 0.034 0.000 0.888 753 S CB 2.293 65.518 63.200 0.041 0.000 1.110 753 S HN 0.459 nan 8.310 nan 0.000 0.463 754 D N 1.759 122.157 120.400 -0.004 0.000 2.264 754 D HA 0.450 5.093 4.640 0.005 0.000 0.250 754 D C -0.421 175.748 176.300 -0.219 0.000 1.113 754 D CA -0.141 53.769 54.000 -0.149 0.000 0.871 754 D CB 1.828 42.548 40.800 -0.133 0.000 1.167 754 D HN 0.414 nan 8.370 nan 0.000 0.447 755 V N 3.329 123.032 119.914 -0.351 0.000 2.417 755 V HA 0.272 4.395 4.120 0.005 0.000 0.291 755 V C -0.803 175.021 176.094 -0.449 0.000 1.024 755 V CA -0.765 61.393 62.300 -0.236 0.000 0.861 755 V CB 0.517 32.285 31.823 -0.092 0.000 0.985 755 V HN 0.344 nan 8.190 nan 0.000 0.436 756 Y N 1.723 121.983 120.300 -0.065 0.000 2.364 756 Y HA 0.517 5.070 4.550 0.005 0.000 0.340 756 Y C 0.635 176.408 175.900 -0.213 0.000 0.975 756 Y CA -0.778 57.224 58.100 -0.164 0.000 1.089 756 Y CB 1.996 40.378 38.460 -0.130 0.000 1.192 756 Y HN 0.556 nan 8.280 nan 0.000 0.454 757 S N 2.560 118.097 115.700 -0.272 0.000 2.448 757 S HA 0.395 4.868 4.470 0.005 0.000 0.279 757 S C -0.719 173.735 174.600 -0.244 0.000 1.195 757 S CA -0.610 57.427 58.200 -0.272 0.000 1.051 757 S CB -0.253 62.759 63.200 -0.313 0.000 0.948 757 S HN 0.465 nan 8.310 nan 0.000 0.493 758 V N 6.729 126.513 119.914 -0.217 0.000 2.320 758 V HA 0.187 4.310 4.120 0.005 0.000 0.265 758 V C 1.552 177.500 176.094 -0.244 0.000 1.048 758 V CA -0.100 61.977 62.300 -0.372 0.000 0.865 758 V CB 0.264 31.521 31.823 -0.944 0.000 1.043 758 V HN 1.070 nan 8.190 nan 0.000 0.474 759 T N -0.113 114.404 114.554 -0.062 0.000 3.023 759 T HA 0.022 4.375 4.350 0.005 0.000 0.266 759 T C 0.848 175.608 174.700 0.100 0.000 1.093 759 T CA 0.711 62.876 62.100 0.108 0.000 1.129 759 T CB 0.225 69.257 68.868 0.273 0.000 0.899 759 T HN 0.569 nan 8.240 nan 0.000 0.491 760 S N -0.384 115.235 115.700 -0.135 0.000 2.387 760 S HA 0.418 4.891 4.470 0.005 0.000 0.211 760 S C -0.185 174.204 174.600 -0.353 0.000 1.055 760 S CA -0.804 57.237 58.200 -0.264 0.000 1.133 760 S CB -0.476 62.408 63.200 -0.528 0.000 1.235 760 S HN 0.153 nan 8.310 nan 0.000 0.425 761 F N 2.268 121.952 119.950 -0.443 0.000 2.161 761 F HA -0.060 4.470 4.527 0.005 0.000 0.300 761 F C 2.652 178.254 175.800 -0.329 0.000 1.089 761 F CA 1.895 59.594 58.000 -0.503 0.000 1.282 761 F CB -0.406 37.990 39.000 -1.006 0.000 1.010 761 F HN 0.490 nan 8.300 nan 0.000 0.485 762 T N -0.923 113.585 114.554 -0.075 0.000 2.777 762 T HA -0.142 4.211 4.350 0.005 0.000 0.266 762 T C 1.832 176.460 174.700 -0.119 0.000 1.040 762 T CA 1.293 63.373 62.100 -0.034 0.000 1.141 762 T CB -0.151 68.741 68.868 0.041 0.000 0.868 762 T HN 0.134 nan 8.240 nan 0.000 0.444 763 E N 0.989 121.060 120.200 -0.215 0.000 2.204 763 E HA 0.048 4.401 4.350 0.005 0.000 0.194 763 E C 2.226 178.711 176.600 -0.192 0.000 0.989 763 E CA 0.513 56.772 56.400 -0.236 0.000 0.824 763 E CB -0.264 29.234 29.700 -0.336 0.000 0.756 763 E HN 0.482 nan 8.360 nan 0.000 0.477 764 L N 0.191 121.310 121.223 -0.173 0.000 2.109 764 L HA -0.072 4.271 4.340 0.005 0.000 0.207 764 L C 2.505 179.288 176.870 -0.144 0.000 1.086 764 L CA 0.963 55.719 54.840 -0.139 0.000 0.760 764 L CB -0.451 41.540 42.059 -0.113 0.000 0.910 764 L HN 0.031 nan 8.230 nan 0.000 0.437 765 A N 0.314 123.087 122.820 -0.078 0.000 1.898 765 A HA -0.188 4.135 4.320 0.005 0.000 0.216 765 A C 2.391 179.877 177.584 -0.164 0.000 1.181 765 A CA 1.378 53.391 52.037 -0.039 0.000 0.620 765 A CB -0.426 18.618 19.000 0.073 0.000 0.819 765 A HN 0.297 nan 8.150 nan 0.000 0.442 766 R N -0.572 119.850 120.500 -0.131 0.000 2.081 766 R HA -0.157 4.186 4.340 0.005 0.000 0.235 766 R C 2.019 178.210 176.300 -0.182 0.000 1.131 766 R CA 1.648 57.670 56.100 -0.130 0.000 0.960 766 R CB -0.450 29.783 30.300 -0.112 0.000 0.856 766 R HN 0.761 nan 8.270 nan 0.000 0.436 767 D N -0.424 119.852 120.400 -0.208 0.000 2.117 767 D HA -0.114 4.529 4.640 0.005 0.000 0.197 767 D C 1.970 178.086 176.300 -0.306 0.000 0.987 767 D CA 1.508 55.388 54.000 -0.200 0.000 0.829 767 D CB -0.192 40.515 40.800 -0.155 0.000 0.961 767 D HN 0.233 nan 8.370 nan 0.000 0.460 768 G N -0.458 107.987 108.800 -0.592 0.000 2.402 768 G HA2 -0.275 3.688 3.960 0.005 0.000 0.216 768 G HA3 -0.275 3.688 3.960 0.005 0.000 0.216 768 G C 1.603 176.006 174.900 -0.827 0.000 1.162 768 G CA 0.709 45.119 45.100 -1.150 0.000 0.777 768 G HN 0.345 nan 8.290 nan 0.000 0.539 769 Q N 0.223 119.708 119.800 -0.526 0.000 2.084 769 Q HA -0.102 4.241 4.340 0.005 0.000 0.202 769 Q C 2.191 178.179 176.000 -0.020 0.000 0.978 769 Q CA 1.417 57.183 55.803 -0.061 0.000 0.844 769 Q CB -0.106 28.641 28.738 0.015 0.000 0.898 769 Q HN 0.333 nan 8.270 nan 0.000 0.426 770 D N 0.074 120.433 120.400 -0.067 0.000 2.117 770 D HA -0.135 4.508 4.640 0.005 0.000 0.197 770 D C 1.928 178.263 176.300 0.058 0.000 0.987 770 D CA 0.914 54.914 54.000 0.000 0.000 0.829 770 D CB -0.442 40.334 40.800 -0.040 0.000 0.961 770 D HN 0.260 nan 8.370 nan 0.000 0.460 771 C N 0.628 119.927 119.300 -0.002 0.000 2.432 771 C HA -0.089 4.374 4.460 0.005 0.000 0.277 771 C C 2.608 177.700 174.990 0.170 0.000 1.249 771 C CA 0.542 59.598 59.018 0.063 0.000 1.725 771 C CB -0.746 26.992 27.740 -0.004 0.000 2.028 771 C HN 0.437 nan 8.230 nan 0.000 0.477 772 E N 0.743 121.030 120.200 0.146 0.000 2.106 772 E HA -0.221 4.132 4.350 0.005 0.000 0.192 772 E C 2.442 179.140 176.600 0.164 0.000 0.984 772 E CA 0.831 57.339 56.400 0.180 0.000 0.806 772 E CB -0.217 29.623 29.700 0.232 0.000 0.750 772 E HN 0.564 nan 8.360 nan 0.000 0.458 773 R N -0.355 120.239 120.500 0.157 0.000 2.073 773 R HA -0.190 4.153 4.340 0.005 0.000 0.234 773 R C 2.115 178.520 176.300 0.176 0.000 1.134 773 R CA 1.803 57.984 56.100 0.134 0.000 0.952 773 R CB -0.631 29.740 30.300 0.119 0.000 0.850 773 R HN 0.335 nan 8.270 nan 0.000 0.433 774 W N 2.105 123.453 121.300 0.080 0.000 2.358 774 W HA -0.135 4.529 4.660 0.005 0.000 0.303 774 W C 1.686 178.335 176.519 0.216 0.000 1.208 774 W CA 1.679 59.112 57.345 0.147 0.000 1.274 774 W CB -0.189 29.286 29.460 0.025 0.000 1.138 774 W HN 0.191 nan 8.180 nan 0.000 0.515 775 N N -0.205 118.724 118.700 0.382 0.000 2.069 775 N HA -0.201 4.542 4.740 0.005 0.000 0.191 775 N C 1.617 177.141 175.510 0.024 0.000 1.031 775 N CA 1.974 55.160 53.050 0.228 0.000 0.852 775 N CB -0.917 37.711 38.487 0.236 0.000 1.018 775 N HN 0.170 nan 8.380 nan 0.000 0.423 776 M N 0.200 119.814 119.600 0.024 0.000 2.476 776 M HA 0.056 4.540 4.480 0.005 0.000 0.262 776 M C 1.596 177.822 176.300 -0.124 0.000 1.079 776 M CA 0.625 55.906 55.300 -0.033 0.000 1.104 776 M CB -0.492 32.106 32.600 -0.003 0.000 1.409 776 M HN 0.111 nan 8.290 nan 0.000 0.467 777 L N -1.446 119.655 121.223 -0.203 0.000 2.509 777 L HA -0.060 4.283 4.340 0.005 0.000 0.222 777 L C 0.127 176.532 176.870 -0.774 0.000 1.123 777 L CA 0.453 55.045 54.840 -0.413 0.000 0.856 777 L CB -0.174 41.632 42.059 -0.422 0.000 0.985 777 L HN 0.322 nan 8.230 nan 0.000 0.456 778 H N -1.319 117.437 119.070 -0.524 0.000 2.439 778 H HA 0.150 4.709 4.556 0.005 0.000 0.230 778 H C -1.658 173.490 175.328 -0.301 0.000 1.420 778 H CA -1.446 54.272 56.048 -0.550 0.000 1.305 778 H CB 0.176 29.231 29.762 -1.178 0.000 1.667 778 H HN -0.072 nan 8.280 nan 0.000 0.515 779 P HA -0.191 nan 4.420 nan 0.000 0.220 779 P C 0.936 178.225 177.300 -0.017 0.000 1.144 779 P CA 0.994 64.060 63.100 -0.056 0.000 0.800 779 P CB 0.659 32.319 31.700 -0.066 0.000 0.772 780 L N -0.859 120.354 121.223 -0.017 0.000 2.529 780 L HA 0.219 4.562 4.340 0.005 0.000 0.223 780 L C 1.380 178.277 176.870 0.045 0.000 1.113 780 L CA 0.649 55.495 54.840 0.011 0.000 0.861 780 L CB -0.947 41.113 42.059 0.002 0.000 1.012 780 L HN 0.067 nan 8.230 nan 0.000 0.461 781 E N -0.223 120.020 120.200 0.072 0.000 2.312 781 E HA 0.148 4.501 4.350 0.005 0.000 0.259 781 E C -0.058 176.648 176.600 0.176 0.000 1.122 781 E CA -0.440 56.045 56.400 0.142 0.000 0.922 781 E CB 0.772 30.612 29.700 0.234 0.000 1.109 781 E HN -0.061 nan 8.360 nan 0.000 0.442 782 T N 3.838 118.497 114.554 0.176 0.000 2.792 782 T HA 0.073 4.426 4.350 0.005 0.000 0.286 782 T C -2.180 172.646 174.700 0.211 0.000 0.970 782 T CA -0.859 61.324 62.100 0.138 0.000 1.187 782 T CB -0.087 68.831 68.868 0.084 0.000 0.915 782 T HN 0.186 nan 8.240 nan 0.000 0.529 783 P HA 0.257 nan 4.420 nan 0.000 0.272 783 P C 0.013 177.384 177.300 0.118 0.000 1.230 783 P CA -0.529 62.701 63.100 0.216 0.000 0.788 783 P CB 0.637 32.424 31.700 0.144 0.000 0.949 784 R N 0.718 121.286 120.500 0.113 0.000 2.349 784 R HA 0.433 4.776 4.340 0.005 0.000 0.299 784 R C -0.793 175.516 176.300 0.014 0.000 1.027 784 R CA -0.795 55.291 56.100 -0.023 0.000 0.958 784 R CB 0.776 31.007 30.300 -0.115 0.000 1.047 784 R HN 0.243 nan 8.270 nan 0.000 0.468 785 V N 5.422 125.325 119.914 -0.017 0.000 2.394 785 V HA 0.230 4.353 4.120 0.005 0.000 0.282 785 V C -2.041 174.041 176.094 -0.020 0.000 1.031 785 V CA -2.287 60.008 62.300 -0.008 0.000 0.881 785 V CB 1.462 33.269 31.823 -0.026 0.000 0.982 785 V HN 0.648 nan 8.190 nan 0.000 0.451 786 P HA -0.021 nan 4.420 nan 0.000 0.264 786 P C 0.333 177.631 177.300 -0.004 0.000 1.183 786 P CA 0.272 63.355 63.100 -0.030 0.000 0.763 786 P CB 0.349 32.040 31.700 -0.015 0.000 0.807 787 Y N 3.937 124.179 120.300 -0.097 0.000 2.151 787 Y HA -0.241 4.313 4.550 0.005 0.000 0.284 787 Y C 2.030 177.889 175.900 -0.069 0.000 1.166 787 Y CA 1.505 59.561 58.100 -0.072 0.000 1.163 787 Y CB -0.389 38.027 38.460 -0.073 0.000 0.974 787 Y HN 0.325 nan 8.280 nan 0.000 0.511 788 I N -0.271 120.350 120.570 0.085 0.000 2.335 788 I HA -0.302 3.871 4.170 0.005 0.000 0.251 788 I C 2.229 178.283 176.117 -0.105 0.000 1.129 788 I CA 1.508 62.799 61.300 -0.015 0.000 1.402 788 I CB -0.308 37.673 38.000 -0.031 0.000 1.069 788 I HN 0.339 nan 8.210 nan 0.000 0.424 789 A N -0.371 122.404 122.820 -0.076 0.000 2.119 789 A HA -0.154 4.169 4.320 0.005 0.000 0.217 789 A C 2.025 179.543 177.584 -0.110 0.000 1.153 789 A CA 0.944 52.934 52.037 -0.079 0.000 0.692 789 A CB -0.356 18.626 19.000 -0.030 0.000 0.799 789 A HN 0.627 nan 8.150 nan 0.000 0.458 790 Q N -0.925 118.769 119.800 -0.177 0.000 2.360 790 Q HA 0.117 4.460 4.340 0.005 0.000 0.202 790 Q C 1.235 177.113 176.000 -0.204 0.000 0.915 790 Q CA 0.582 56.258 55.803 -0.211 0.000 0.943 790 Q CB 0.395 28.937 28.738 -0.326 0.000 1.064 790 Q HN 0.512 nan 8.270 nan 0.000 0.511 791 V N -0.399 119.405 119.914 -0.182 0.000 2.911 791 V HA 0.108 4.231 4.120 0.005 0.000 0.237 791 V C 0.912 177.003 176.094 -0.005 0.000 1.156 791 V CA 0.583 62.840 62.300 -0.072 0.000 1.180 791 V CB 0.272 32.063 31.823 -0.052 0.000 0.932 791 V HN 0.242 nan 8.190 nan 0.000 0.483 792 M N 1.538 121.043 119.600 -0.158 0.000 2.283 792 M HA 0.317 4.800 4.480 0.005 0.000 0.314 792 M C 0.241 176.511 176.300 -0.050 0.000 1.153 792 M CA 0.040 55.226 55.300 -0.190 0.000 1.084 792 M CB 0.884 33.273 32.600 -0.351 0.000 1.468 792 M HN 0.525 nan 8.290 nan 0.000 0.474 793 N N -0.425 118.280 118.700 0.008 0.000 2.992 793 N HA 0.310 5.053 4.740 0.005 0.000 0.338 793 N C -0.405 175.105 175.510 -0.000 0.000 1.376 793 N CA -0.669 52.391 53.050 0.016 0.000 0.778 793 N CB 0.267 38.785 38.487 0.052 0.000 1.232 793 N HN 0.610 nan 8.380 nan 0.000 0.581 794 D N -1.653 118.754 120.400 0.011 0.000 2.349 794 D HA 0.207 4.850 4.640 0.005 0.000 0.214 794 D C -0.006 176.307 176.300 0.022 0.000 1.063 794 D CA -0.448 53.556 54.000 0.007 0.000 0.847 794 D CB -0.507 40.296 40.800 0.005 0.000 0.933 794 D HN 0.642 nan 8.370 nan 0.000 0.513 795 A N 2.069 124.912 122.820 0.039 0.000 2.445 795 A HA 0.392 4.715 4.320 0.005 0.000 0.242 795 A C -2.111 175.507 177.584 0.057 0.000 1.075 795 A CA -1.042 51.025 52.037 0.049 0.000 0.777 795 A CB -0.196 18.841 19.000 0.062 0.000 1.013 795 A HN 0.085 nan 8.150 nan 0.000 0.493 796 P HA 0.195 nan 4.420 nan 0.000 0.262 796 P C -0.455 176.903 177.300 0.098 0.000 1.182 796 P CA 0.610 63.751 63.100 0.069 0.000 0.761 796 P CB 0.574 32.304 31.700 0.051 0.000 0.795 797 A N 3.486 126.392 122.820 0.143 0.000 2.355 797 A HA 0.682 5.005 4.320 0.005 0.000 0.324 797 A C -0.828 176.874 177.584 0.198 0.000 1.117 797 A CA -0.675 51.483 52.037 0.201 0.000 0.785 797 A CB 1.534 20.683 19.000 0.248 0.000 1.254 797 A HN 0.337 nan 8.150 nan 0.000 0.453 798 V N 0.650 120.657 119.914 0.155 0.000 2.638 798 V HA 0.760 4.883 4.120 0.005 0.000 0.306 798 V C 0.146 176.295 176.094 0.092 0.000 1.052 798 V CA -0.209 62.124 62.300 0.054 0.000 0.885 798 V CB 1.586 33.431 31.823 0.037 0.000 0.999 798 V HN 1.388 nan 8.190 nan 0.000 0.424 799 A N 2.918 125.734 122.820 -0.007 0.000 2.374 799 A HA 0.949 5.272 4.320 0.005 0.000 0.317 799 A C -0.494 177.091 177.584 0.002 0.000 1.094 799 A CA -0.607 51.477 52.037 0.079 0.000 0.765 799 A CB 2.076 21.165 19.000 0.147 0.000 1.268 799 A HN 0.843 nan 8.150 nan 0.000 0.438 800 S N -0.038 115.704 115.700 0.071 0.000 2.546 800 S HA 0.816 5.289 4.470 0.005 0.000 0.272 800 S C -0.462 174.204 174.600 0.110 0.000 1.140 800 S CA 0.281 58.509 58.200 0.048 0.000 0.920 800 S CB 1.386 64.614 63.200 0.048 0.000 1.083 800 S HN 1.881 nan 8.310 nan 0.000 0.476 801 T N 0.490 115.110 114.554 0.109 0.000 2.812 801 T HA 0.490 4.843 4.350 0.005 0.000 0.294 801 T C -0.394 174.370 174.700 0.107 0.000 1.159 801 T CA -0.490 61.732 62.100 0.203 0.000 1.008 801 T CB 1.409 70.526 68.868 0.415 0.000 1.289 801 T HN 0.310 nan 8.240 nan 0.000 0.514 802 D N -0.607 119.842 120.400 0.083 0.000 2.319 802 D HA 0.247 4.890 4.640 0.005 0.000 0.230 802 D C -0.789 175.258 176.300 -0.423 0.000 1.094 802 D CA 0.160 54.045 54.000 -0.191 0.000 0.856 802 D CB -0.285 40.358 40.800 -0.261 0.000 0.915 802 D HN 0.442 nan 8.370 nan 0.000 0.517 803 Y N -0.121 120.148 120.300 -0.051 0.000 2.562 803 Y HA 0.311 4.864 4.550 0.005 0.000 0.343 803 Y C 0.870 176.742 175.900 -0.048 0.000 1.025 803 Y CA -1.516 56.530 58.100 -0.089 0.000 1.082 803 Y CB 0.886 39.225 38.460 -0.202 0.000 1.264 803 Y HN -0.186 nan 8.280 nan 0.000 0.478 804 M N 0.327 119.992 119.600 0.109 0.000 2.245 804 M HA 0.163 4.646 4.480 0.005 0.000 0.312 804 M C 0.387 176.717 176.300 0.049 0.000 1.070 804 M CA 0.120 55.442 55.300 0.036 0.000 1.162 804 M CB 0.578 33.191 32.600 0.021 0.000 1.448 804 M HN 0.711 nan 8.290 nan 0.000 0.446 805 K N 0.683 121.076 120.400 -0.012 0.000 2.152 805 K HA -0.134 4.189 4.320 0.005 0.000 0.206 805 K C 1.723 178.284 176.600 -0.065 0.000 1.048 805 K CA 1.306 57.559 56.287 -0.057 0.000 0.933 805 K CB -0.366 32.085 32.500 -0.082 0.000 0.721 805 K HN 0.629 nan 8.250 nan 0.000 0.447 806 L N 0.443 121.655 121.223 -0.019 0.000 2.187 806 L HA -0.161 4.182 4.340 0.005 0.000 0.213 806 L C 1.830 178.705 176.870 0.009 0.000 1.100 806 L CA 1.438 56.272 54.840 -0.010 0.000 0.765 806 L CB -0.476 41.591 42.059 0.015 0.000 0.904 806 L HN 0.120 nan 8.230 nan 0.000 0.437 807 F N 0.203 120.064 119.950 -0.149 0.000 2.134 807 F HA -0.167 4.363 4.527 0.005 0.000 0.299 807 F C 2.185 177.693 175.800 -0.487 0.000 1.097 807 F CA 1.466 59.342 58.000 -0.207 0.000 1.264 807 F CB -0.616 38.294 39.000 -0.150 0.000 1.001 807 F HN 0.137 nan 8.300 nan 0.000 0.479 808 A N -0.636 121.746 122.820 -0.729 0.000 2.030 808 A HA 0.034 4.357 4.320 0.005 0.000 0.215 808 A C 2.029 179.316 177.584 -0.494 0.000 1.164 808 A CA 0.619 51.838 52.037 -1.363 0.000 0.697 808 A CB -0.480 17.874 19.000 -1.078 0.000 0.827 808 A HN 0.336 nan 8.150 nan 0.000 0.457 809 E N 0.664 120.714 120.200 -0.249 0.000 2.268 809 E HA -0.226 4.127 4.350 0.005 0.000 0.195 809 E C 2.114 178.723 176.600 0.015 0.000 0.995 809 E CA 1.300 57.669 56.400 -0.051 0.000 0.836 809 E CB -0.317 29.341 29.700 -0.070 0.000 0.763 809 E HN 0.971 nan 8.360 nan 0.000 0.491 810 Q N 0.572 120.352 119.800 -0.032 0.000 2.297 810 Q HA -0.102 4.241 4.340 0.005 0.000 0.208 810 Q C 1.853 177.919 176.000 0.111 0.000 0.981 810 Q CA 1.674 57.497 55.803 0.034 0.000 0.876 810 Q CB -0.475 28.282 28.738 0.032 0.000 0.921 810 Q HN 0.244 nan 8.270 nan 0.000 0.446 811 V N -2.607 117.388 119.914 0.134 0.000 3.647 811 V HA 0.189 4.312 4.120 0.005 0.000 0.279 811 V C 2.090 178.191 176.094 0.011 0.000 1.314 811 V CA 0.460 62.883 62.300 0.206 0.000 1.125 811 V CB -0.324 31.628 31.823 0.215 0.000 0.907 811 V HN 0.155 nan 8.190 nan 0.000 0.434 812 R N 2.059 122.554 120.500 -0.008 0.000 2.112 812 R HA -0.185 4.158 4.340 0.005 0.000 0.242 812 R C 2.126 178.277 176.300 -0.249 0.000 1.137 812 R CA 2.870 58.925 56.100 -0.075 0.000 0.944 812 R CB -1.424 28.928 30.300 0.087 0.000 0.857 812 R HN 0.521 nan 8.270 nan 0.000 0.435 813 T N -0.188 114.114 114.554 -0.420 0.000 2.778 813 T HA -0.179 4.174 4.350 0.005 0.000 0.269 813 T C 0.983 175.272 174.700 -0.686 0.000 1.050 813 T CA 1.836 63.566 62.100 -0.617 0.000 1.137 813 T CB -0.338 68.017 68.868 -0.855 0.000 0.860 813 T HN 0.386 nan 8.240 nan 0.000 0.468 814 Y N 0.248 120.506 120.300 -0.070 0.000 2.482 814 Y HA 0.368 4.921 4.550 0.005 0.000 0.270 814 Y C 0.988 176.808 175.900 -0.134 0.000 1.152 814 Y CA -1.015 57.036 58.100 -0.081 0.000 1.292 814 Y CB -0.447 37.976 38.460 -0.062 0.000 1.070 814 Y HN -0.061 nan 8.280 nan 0.000 0.528 815 V N 5.272 125.089 119.914 -0.161 0.000 2.521 815 V HA 0.031 4.154 4.120 0.005 0.000 0.286 815 V C -1.313 174.683 176.094 -0.164 0.000 1.034 815 V CA -1.143 61.006 62.300 -0.252 0.000 1.045 815 V CB 1.020 32.502 31.823 -0.567 0.000 0.974 815 V HN 0.131 nan 8.190 nan 0.000 0.480 816 P HA 0.214 nan 4.420 nan 0.000 0.259 816 P C -0.157 177.107 177.300 -0.059 0.000 1.480 816 P CA 0.252 63.308 63.100 -0.074 0.000 0.842 816 P CB 0.388 32.053 31.700 -0.058 0.000 1.513 817 A N 0.050 122.828 122.820 -0.070 0.000 2.374 817 A HA 0.459 4.782 4.320 0.005 0.000 0.317 817 A C 0.741 178.320 177.584 -0.007 0.000 1.094 817 A CA -0.559 51.463 52.037 -0.025 0.000 0.765 817 A CB 1.050 20.047 19.000 -0.006 0.000 1.268 817 A HN -0.175 nan 8.150 nan 0.000 0.438 818 D N 0.158 120.564 120.400 0.010 0.000 2.323 818 D HA 0.006 4.649 4.640 0.005 0.000 0.209 818 D C -0.539 175.784 176.300 0.039 0.000 0.973 818 D CA 1.187 55.196 54.000 0.015 0.000 0.874 818 D CB 0.421 41.227 40.800 0.009 0.000 0.930 818 D HN 0.524 nan 8.370 nan 0.000 0.521 819 D N -0.642 119.792 120.400 0.058 0.000 2.375 819 D HA 0.184 4.827 4.640 0.005 0.000 0.247 819 D C -1.523 174.871 176.300 0.157 0.000 1.061 819 D CA -0.646 53.400 54.000 0.077 0.000 0.834 819 D CB 1.067 41.896 40.800 0.049 0.000 1.247 819 D HN -0.167 nan 8.370 nan 0.000 0.489 820 Y N 3.341 123.631 120.300 -0.017 0.000 2.301 820 Y HA 0.389 4.943 4.550 0.005 0.000 0.325 820 Y C -1.245 174.642 175.900 -0.022 0.000 1.103 820 Y CA -0.730 57.359 58.100 -0.018 0.000 1.182 820 Y CB 0.766 39.209 38.460 -0.028 0.000 1.139 820 Y HN 0.264 nan 8.280 nan 0.000 0.443 821 R N 4.500 124.857 120.500 -0.238 0.000 2.460 821 R HA 0.768 5.112 4.340 0.005 0.000 0.303 821 R C -1.395 174.639 176.300 -0.443 0.000 0.968 821 R CA -1.084 54.853 56.100 -0.270 0.000 0.889 821 R CB 2.131 32.360 30.300 -0.118 0.000 1.123 821 R HN 0.406 nan 8.270 nan 0.000 0.455 822 V N 5.230 124.901 119.914 -0.406 0.000 2.540 822 V HA 0.416 4.539 4.120 0.005 0.000 0.302 822 V C -0.191 175.780 176.094 -0.205 0.000 1.035 822 V CA -0.782 61.293 62.300 -0.376 0.000 0.873 822 V CB 1.799 33.355 31.823 -0.444 0.000 0.992 822 V HN 0.564 nan 8.190 nan 0.000 0.428 823 L N 3.832 124.967 121.223 -0.148 0.000 2.334 823 L HA 1.005 5.348 4.340 0.005 0.000 0.272 823 L C 0.611 177.429 176.870 -0.086 0.000 1.020 823 L CA -0.218 54.561 54.840 -0.102 0.000 0.812 823 L CB 1.909 43.927 42.059 -0.069 0.000 1.264 823 L HN 0.817 nan 8.230 nan 0.000 0.439 824 G N -0.756 107.998 108.800 -0.077 0.000 2.550 824 G HA2 0.398 4.361 3.960 0.005 0.000 0.293 824 G HA3 0.398 4.361 3.960 0.005 0.000 0.293 824 G C -0.384 174.480 174.900 -0.060 0.000 1.402 824 G CA -0.061 45.007 45.100 -0.053 0.000 0.784 824 G HN 0.497 nan 8.290 nan 0.000 0.482 825 T N -1.236 113.246 114.554 -0.120 0.000 3.287 825 T HA 0.317 4.670 4.350 0.005 0.000 0.253 825 T C -0.222 174.367 174.700 -0.185 0.000 0.975 825 T CA -0.269 61.658 62.100 -0.289 0.000 0.912 825 T CB -0.470 68.011 68.868 -0.646 0.000 1.071 825 T HN 0.305 nan 8.240 nan 0.000 0.578 826 D N 1.790 122.180 120.400 -0.016 0.000 2.506 826 D HA 0.449 5.092 4.640 0.005 0.000 0.234 826 D C 1.018 177.397 176.300 0.131 0.000 1.143 826 D CA 1.650 55.651 54.000 0.002 0.000 0.871 826 D CB 0.066 40.858 40.800 -0.014 0.000 1.190 826 D HN 0.751 nan 8.370 nan 0.000 0.459 827 G N 0.232 109.058 108.800 0.044 0.000 2.539 827 G HA2 -0.046 3.917 3.960 0.005 0.000 0.686 827 G HA3 -0.046 3.917 3.960 0.005 0.000 0.686 827 G C -0.859 174.144 174.900 0.171 0.000 1.258 827 G CA -1.218 43.961 45.100 0.131 0.000 0.846 827 G HN 0.256 nan 8.290 nan 0.000 0.647 828 F N 1.231 121.314 119.950 0.221 0.000 2.518 828 F HA 0.491 5.021 4.527 0.005 0.000 0.359 828 F C 1.681 177.681 175.800 0.332 0.000 1.118 828 F CA 1.297 59.414 58.000 0.196 0.000 1.287 828 F CB 0.922 39.993 39.000 0.118 0.000 1.132 828 F HN 0.737 nan 8.300 nan 0.000 0.587 829 G N 2.397 111.489 108.800 0.486 0.000 2.634 829 G HA2 0.582 4.545 3.960 0.005 0.000 0.255 829 G HA3 0.582 4.545 3.960 0.005 0.000 0.255 829 G C -0.706 174.366 174.900 0.287 0.000 1.205 829 G CA -0.736 44.619 45.100 0.426 0.000 0.884 829 G HN 0.779 nan 8.290 nan 0.000 0.549 830 R N -1.758 118.864 120.500 0.204 0.000 2.728 830 R HA 0.481 4.824 4.340 0.005 0.000 0.274 830 R C -1.338 174.998 176.300 0.060 0.000 1.030 830 R CA -0.830 55.316 56.100 0.078 0.000 0.876 830 R CB 0.656 30.939 30.300 -0.027 0.000 1.259 830 R HN 0.379 nan 8.270 nan 0.000 0.468 831 S N 0.608 116.320 115.700 0.021 0.000 2.489 831 S HA 0.434 4.907 4.470 0.005 0.000 0.277 831 S C -0.735 173.868 174.600 0.004 0.000 1.230 831 S CA -0.312 57.898 58.200 0.017 0.000 1.053 831 S CB 0.632 63.834 63.200 0.004 0.000 0.955 831 S HN 0.558 nan 8.310 nan 0.000 0.488 832 D N 0.062 120.474 120.400 0.020 0.000 2.879 832 D HA 0.173 4.816 4.640 0.005 0.000 0.346 832 D C -0.764 175.556 176.300 0.033 0.000 1.390 832 D CA -0.341 53.669 54.000 0.017 0.000 0.838 832 D CB 1.099 41.901 40.800 0.004 0.000 1.416 832 D HN 0.534 nan 8.370 nan 0.000 0.493 833 S N -0.337 115.385 115.700 0.036 0.000 2.614 833 S HA 0.349 4.822 4.470 0.005 0.000 0.265 833 S C 1.296 175.932 174.600 0.060 0.000 1.303 833 S CA -0.330 57.896 58.200 0.044 0.000 1.000 833 S CB 1.567 64.791 63.200 0.041 0.000 0.935 833 S HN 0.481 nan 8.310 nan 0.000 0.551 834 R N 0.658 121.195 120.500 0.063 0.000 2.091 834 R HA -0.136 4.207 4.340 0.005 0.000 0.238 834 R C 2.398 178.736 176.300 0.064 0.000 1.136 834 R CA 1.805 57.946 56.100 0.068 0.000 0.959 834 R CB -0.486 29.861 30.300 0.078 0.000 0.856 834 R HN 0.921 nan 8.270 nan 0.000 0.437 835 E N 0.733 120.973 120.200 0.065 0.000 2.051 835 E HA -0.205 4.148 4.350 0.005 0.000 0.192 835 E C 1.594 178.245 176.600 0.086 0.000 0.991 835 E CA 1.265 57.703 56.400 0.063 0.000 0.799 835 E CB 0.067 29.799 29.700 0.053 0.000 0.748 835 E HN 0.226 nan 8.360 nan 0.000 0.449 836 N N 0.431 119.180 118.700 0.080 0.000 2.166 836 N HA -0.127 4.616 4.740 0.005 0.000 0.186 836 N C 1.940 177.540 175.510 0.149 0.000 1.019 836 N CA 0.851 53.963 53.050 0.103 0.000 0.856 836 N CB -0.192 38.331 38.487 0.060 0.000 0.993 836 N HN 0.247 nan 8.380 nan 0.000 0.426 837 L N 0.424 121.734 121.223 0.146 0.000 2.093 837 L HA -0.043 4.300 4.340 0.005 0.000 0.208 837 L C 2.223 179.270 176.870 0.296 0.000 1.085 837 L CA 0.904 55.888 54.840 0.240 0.000 0.755 837 L CB -0.206 42.010 42.059 0.261 0.000 0.904 837 L HN 0.087 nan 8.230 nan 0.000 0.435 838 R N -1.391 119.212 120.500 0.171 0.000 2.189 838 R HA -0.156 4.187 4.340 0.005 0.000 0.223 838 R C 2.148 178.526 176.300 0.129 0.000 1.092 838 R CA 0.822 56.981 56.100 0.099 0.000 0.989 838 R CB -0.237 30.026 30.300 -0.063 0.000 0.876 838 R HN 0.319 nan 8.270 nan 0.000 0.457 839 H N -0.786 118.334 119.070 0.083 0.000 2.384 839 H HA -0.060 4.499 4.556 0.005 0.000 0.300 839 H C 1.936 177.277 175.328 0.022 0.000 1.057 839 H CA 1.704 57.838 56.048 0.142 0.000 1.370 839 H CB 0.037 29.904 29.762 0.176 0.000 1.417 839 H HN 0.240 nan 8.280 nan 0.000 0.527 840 H N -0.788 118.278 119.070 -0.007 0.000 2.319 840 H HA -0.128 4.432 4.556 0.005 0.000 0.299 840 H C 1.165 176.249 175.328 -0.405 0.000 1.092 840 H CA 2.012 57.925 56.048 -0.226 0.000 1.302 840 H CB -0.477 29.104 29.762 -0.302 0.000 1.373 840 H HN 0.294 nan 8.280 nan 0.000 0.497 841 F N 1.107 120.919 119.950 -0.230 0.000 2.802 841 F HA 0.092 4.622 4.527 0.005 0.000 0.300 841 F C 0.438 175.968 175.800 -0.451 0.000 1.168 841 F CA 0.878 58.692 58.000 -0.310 0.000 1.433 841 F CB -0.249 38.677 39.000 -0.124 0.000 1.115 841 F HN 0.254 nan 8.300 nan 0.000 0.582 842 E N -0.806 119.027 120.200 -0.612 0.000 2.320 842 E HA -0.217 4.136 4.350 0.005 0.000 0.234 842 E C 0.812 177.042 176.600 -0.616 0.000 1.183 842 E CA 0.436 56.063 56.400 -1.289 0.000 0.713 842 E CB -1.680 27.339 29.700 -1.135 0.000 1.226 842 E HN 0.356 nan 8.360 nan 0.000 0.382 843 V N -0.114 119.633 119.914 -0.279 0.000 3.451 843 V HA 0.015 4.138 4.120 0.005 0.000 0.288 843 V C 0.457 176.548 176.094 -0.005 0.000 1.502 843 V CA 0.652 62.898 62.300 -0.089 0.000 1.026 843 V CB 0.399 32.184 31.823 -0.063 0.000 0.840 843 V HN 0.441 nan 8.190 nan 0.000 0.437 844 D N 0.713 121.144 120.400 0.052 0.000 2.393 844 D HA 0.319 4.962 4.640 0.005 0.000 0.246 844 D C 1.491 177.861 176.300 0.117 0.000 1.275 844 D CA 0.453 54.496 54.000 0.072 0.000 0.979 844 D CB 1.085 41.961 40.800 0.125 0.000 1.101 844 D HN 0.107 nan 8.370 nan 0.000 0.505 845 A N 0.380 123.262 122.820 0.103 0.000 1.917 845 A HA -0.213 4.110 4.320 0.005 0.000 0.219 845 A C 2.260 179.763 177.584 -0.134 0.000 1.182 845 A CA 2.236 54.288 52.037 0.025 0.000 0.633 845 A CB -1.178 17.837 19.000 0.025 0.000 0.819 845 A HN 0.529 nan 8.150 nan 0.000 0.448 846 S N -1.492 114.060 115.700 -0.247 0.000 2.365 846 S HA -0.202 4.271 4.470 0.005 0.000 0.225 846 S C 1.816 176.189 174.600 -0.378 0.000 1.039 846 S CA 1.854 59.669 58.200 -0.642 0.000 1.033 846 S CB -0.571 62.342 63.200 -0.479 0.000 0.887 846 S HN 0.694 nan 8.310 nan 0.000 0.447 847 Y N 0.917 121.131 120.300 -0.142 0.000 2.293 847 Y HA -0.062 4.491 4.550 0.005 0.000 0.291 847 Y C 2.411 178.268 175.900 -0.072 0.000 1.137 847 Y CA 0.557 58.601 58.100 -0.093 0.000 1.202 847 Y CB -0.507 37.894 38.460 -0.098 0.000 0.990 847 Y HN 0.051 nan 8.280 nan 0.000 0.537 848 V N -1.166 118.794 119.914 0.077 0.000 2.343 848 V HA -0.266 3.857 4.120 0.005 0.000 0.247 848 V C 2.177 178.273 176.094 0.004 0.000 1.051 848 V CA 1.539 63.863 62.300 0.040 0.000 1.036 848 V CB -0.778 31.071 31.823 0.044 0.000 0.654 848 V HN 0.221 nan 8.190 nan 0.000 0.451 849 V N -0.324 119.565 119.914 -0.042 0.000 2.295 849 V HA -0.226 3.897 4.120 0.005 0.000 0.246 849 V C 2.418 178.490 176.094 -0.036 0.000 1.049 849 V CA 2.007 64.287 62.300 -0.035 0.000 1.024 849 V CB -0.402 31.408 31.823 -0.022 0.000 0.648 849 V HN 0.410 nan 8.190 nan 0.000 0.447 850 V N 0.172 120.075 119.914 -0.018 0.000 2.407 850 V HA -0.230 3.893 4.120 0.005 0.000 0.248 850 V C 2.667 178.752 176.094 -0.015 0.000 1.055 850 V CA 1.855 64.148 62.300 -0.011 0.000 1.049 850 V CB -1.057 30.756 31.823 -0.016 0.000 0.662 850 V HN 0.560 nan 8.190 nan 0.000 0.455 851 A N 0.053 122.875 122.820 0.005 0.000 1.902 851 A HA -0.128 4.195 4.320 0.005 0.000 0.217 851 A C 2.426 180.004 177.584 -0.009 0.000 1.181 851 A CA 2.160 54.199 52.037 0.004 0.000 0.623 851 A CB -0.758 18.248 19.000 0.011 0.000 0.818 851 A HN 0.558 nan 8.150 nan 0.000 0.443 852 A N -0.256 122.557 122.820 -0.012 0.000 1.873 852 A HA 0.003 4.326 4.320 0.005 0.000 0.215 852 A C 2.165 179.728 177.584 -0.036 0.000 1.186 852 A CA 1.406 53.437 52.037 -0.011 0.000 0.616 852 A CB -0.645 18.354 19.000 -0.001 0.000 0.823 852 A HN 0.462 nan 8.150 nan 0.000 0.442 853 L N -0.526 120.648 121.223 -0.082 0.000 2.042 853 L HA -0.168 4.175 4.340 0.005 0.000 0.210 853 L C 2.838 179.671 176.870 -0.061 0.000 1.076 853 L CA 1.132 55.903 54.840 -0.115 0.000 0.749 853 L CB -0.988 40.942 42.059 -0.216 0.000 0.893 853 L HN 0.507 nan 8.230 nan 0.000 0.432 854 G N -0.087 108.687 108.800 -0.043 0.000 2.476 854 G HA2 -0.266 3.697 3.960 0.005 0.000 0.218 854 G HA3 -0.266 3.697 3.960 0.005 0.000 0.218 854 G C 1.404 176.296 174.900 -0.014 0.000 1.164 854 G CA 0.818 45.904 45.100 -0.024 0.000 0.768 854 G HN 0.457 nan 8.290 nan 0.000 0.560 855 E N 0.104 120.299 120.200 -0.009 0.000 2.110 855 E HA -0.038 4.315 4.350 0.005 0.000 0.193 855 E C 2.587 179.188 176.600 0.003 0.000 0.988 855 E CA 0.557 56.958 56.400 0.002 0.000 0.804 855 E CB -0.199 29.509 29.700 0.013 0.000 0.745 855 E HN 0.405 nan 8.360 nan 0.000 0.458 856 L N 0.597 121.819 121.223 -0.002 0.000 2.056 856 L HA -0.132 4.211 4.340 0.005 0.000 0.207 856 L C 2.624 179.495 176.870 0.000 0.000 1.078 856 L CA 0.870 55.711 54.840 0.002 0.000 0.749 856 L CB -0.498 41.560 42.059 -0.002 0.000 0.901 856 L HN 0.144 nan 8.230 nan 0.000 0.433 857 A N 0.251 123.066 122.820 -0.007 0.000 1.933 857 A HA -0.216 4.107 4.320 0.005 0.000 0.218 857 A C 2.253 179.837 177.584 -0.000 0.000 1.175 857 A CA 1.584 53.618 52.037 -0.004 0.000 0.628 857 A CB -0.354 18.640 19.000 -0.010 0.000 0.814 857 A HN 0.303 nan 8.150 nan 0.000 0.444 858 K N -0.830 119.570 120.400 -0.001 0.000 2.442 858 K HA -0.023 4.300 4.320 0.005 0.000 0.198 858 K C 1.555 178.158 176.600 0.004 0.000 1.042 858 K CA 0.844 57.132 56.287 0.001 0.000 0.958 858 K CB -0.043 32.458 32.500 0.001 0.000 0.766 858 K HN 0.384 nan 8.250 nan 0.000 0.474 859 R N -0.755 119.749 120.500 0.006 0.000 2.362 859 R HA 0.086 4.429 4.340 0.005 0.000 0.227 859 R C 0.686 176.991 176.300 0.009 0.000 0.905 859 R CA 0.394 56.499 56.100 0.009 0.000 1.067 859 R CB 0.859 31.166 30.300 0.012 0.000 1.078 859 R HN 0.233 nan 8.270 nan 0.000 0.516 860 G N 1.536 110.340 108.800 0.008 0.000 2.203 860 G HA2 -0.347 3.616 3.960 0.005 0.000 0.263 860 G HA3 -0.347 3.616 3.960 0.005 0.000 0.263 860 G C 0.531 175.438 174.900 0.011 0.000 1.012 860 G CA 0.767 45.872 45.100 0.008 0.000 0.749 860 G HN 0.465 nan 8.290 nan 0.000 0.512 861 E N -0.740 119.468 120.200 0.013 0.000 2.299 861 E HA 0.319 4.672 4.350 0.005 0.000 0.193 861 E C 1.416 178.028 176.600 0.020 0.000 0.998 861 E CA 0.980 57.390 56.400 0.017 0.000 0.851 861 E CB 0.065 29.776 29.700 0.018 0.000 0.795 861 E HN 0.901 nan 8.360 nan 0.000 0.492 862 I N -3.540 117.040 120.570 0.016 0.000 2.994 862 I HA 0.394 4.567 4.170 0.005 0.000 0.306 862 I C -0.796 175.330 176.117 0.015 0.000 1.195 862 I CA -1.303 60.010 61.300 0.021 0.000 1.001 862 I CB 1.841 39.855 38.000 0.023 0.000 1.244 862 I HN -0.345 nan 8.210 nan 0.000 0.437 863 D N 2.618 123.029 120.400 0.019 0.000 2.382 863 D HA 0.119 4.762 4.640 0.005 0.000 0.245 863 D C 0.694 176.999 176.300 0.008 0.000 1.120 863 D CA 0.121 54.129 54.000 0.013 0.000 0.890 863 D CB 1.686 42.496 40.800 0.017 0.000 1.201 863 D HN 0.609 nan 8.370 nan 0.000 0.433 864 K N 2.210 122.612 120.400 0.003 0.000 2.218 864 K HA -0.176 4.147 4.320 0.005 0.000 0.205 864 K C 1.726 178.325 176.600 -0.001 0.000 1.046 864 K CA 1.115 57.401 56.287 -0.001 0.000 0.933 864 K CB 0.218 32.717 32.500 -0.001 0.000 0.728 864 K HN 0.369 nan 8.250 nan 0.000 0.454 865 K N 0.388 120.791 120.400 0.004 0.000 2.147 865 K HA -0.099 4.224 4.320 0.005 0.000 0.205 865 K C 1.905 178.512 176.600 0.011 0.000 1.049 865 K CA 0.945 57.236 56.287 0.006 0.000 0.936 865 K CB 0.006 32.511 32.500 0.008 0.000 0.722 865 K HN -0.054 nan 8.250 nan 0.000 0.446 866 V N 0.920 120.846 119.914 0.019 0.000 2.407 866 V HA -0.225 3.898 4.120 0.005 0.000 0.248 866 V C 2.170 178.264 176.094 0.001 0.000 1.055 866 V CA 1.485 63.810 62.300 0.040 0.000 1.049 866 V CB -0.318 31.539 31.823 0.056 0.000 0.662 866 V HN 0.087 nan 8.190 nan 0.000 0.455 867 V N 0.355 120.253 119.914 -0.026 0.000 2.307 867 V HA -0.194 3.929 4.120 0.005 0.000 0.245 867 V C 2.721 178.803 176.094 -0.021 0.000 1.045 867 V CA 1.827 64.103 62.300 -0.041 0.000 1.024 867 V CB -1.263 30.540 31.823 -0.033 0.000 0.651 867 V HN 0.533 nan 8.190 nan 0.000 0.449 868 A N 0.209 123.021 122.820 -0.012 0.000 1.908 868 A HA -0.264 4.059 4.320 0.005 0.000 0.218 868 A C 1.978 179.551 177.584 -0.017 0.000 1.181 868 A CA 2.137 54.167 52.037 -0.011 0.000 0.627 868 A CB -0.640 18.356 19.000 -0.007 0.000 0.818 868 A HN 0.550 nan 8.150 nan 0.000 0.445 869 D N -0.062 120.329 120.400 -0.014 0.000 2.178 869 D HA 0.018 4.661 4.640 0.005 0.000 0.202 869 D C 2.202 178.459 176.300 -0.071 0.000 0.974 869 D CA 1.290 55.273 54.000 -0.028 0.000 0.841 869 D CB -0.393 40.403 40.800 -0.007 0.000 0.953 869 D HN 0.437 nan 8.370 nan 0.000 0.478 870 A N 1.038 123.826 122.820 -0.052 0.000 1.877 870 A HA -0.136 4.187 4.320 0.005 0.000 0.216 870 A C 2.361 179.877 177.584 -0.112 0.000 1.186 870 A CA 0.822 52.783 52.037 -0.126 0.000 0.620 870 A CB -0.771 18.232 19.000 0.005 0.000 0.822 870 A HN 0.166 nan 8.150 nan 0.000 0.443 871 I N -0.187 120.379 120.570 -0.007 0.000 2.194 871 I HA -0.356 3.817 4.170 0.005 0.000 0.246 871 I C 2.955 179.069 176.117 -0.005 0.000 1.093 871 I CA 1.227 62.535 61.300 0.013 0.000 1.355 871 I CB -0.324 37.671 38.000 -0.007 0.000 1.046 871 I HN 0.399 nan 8.210 nan 0.000 0.413 872 A N 0.511 123.305 122.820 -0.043 0.000 1.855 872 A HA -0.248 4.075 4.320 0.005 0.000 0.215 872 A C 2.385 179.923 177.584 -0.077 0.000 1.191 872 A CA 1.807 53.819 52.037 -0.042 0.000 0.613 872 A CB -0.569 18.405 19.000 -0.043 0.000 0.829 872 A HN 0.324 nan 8.150 nan 0.000 0.442 873 K N -1.390 118.896 120.400 -0.190 0.000 2.074 873 K HA -0.173 4.150 4.320 0.005 0.000 0.209 873 K C 0.956 177.412 176.600 -0.239 0.000 1.048 873 K CA 1.762 57.872 56.287 -0.294 0.000 0.926 873 K CB -0.282 31.908 32.500 -0.517 0.000 0.713 873 K HN 0.402 nan 8.250 nan 0.000 0.444 874 F N 1.324 121.284 119.950 0.016 0.000 2.773 874 F HA 0.139 4.669 4.527 0.005 0.000 0.304 874 F C 0.212 176.034 175.800 0.036 0.000 1.129 874 F CA -0.209 57.802 58.000 0.017 0.000 1.378 874 F CB -0.432 38.566 39.000 -0.004 0.000 1.095 874 F HN 0.078 nan 8.300 nan 0.000 0.565 875 N N 0.912 119.708 118.700 0.161 0.000 2.740 875 N HA -0.230 4.513 4.740 0.005 0.000 0.248 875 N C -0.439 175.217 175.510 0.245 0.000 1.062 875 N CA 0.503 53.640 53.050 0.145 0.000 0.704 875 N CB -1.607 36.940 38.487 0.099 0.000 0.968 875 N HN 0.294 nan 8.380 nan 0.000 0.547 876 I N 0.203 120.867 120.570 0.156 0.000 2.342 876 I HA 0.085 4.258 4.170 0.005 0.000 0.291 876 I C 0.569 176.723 176.117 0.062 0.000 1.010 876 I CA -0.542 60.790 61.300 0.053 0.000 1.308 876 I CB 1.049 38.926 38.000 -0.205 0.000 1.400 876 I HN -0.042 nan 8.210 nan 0.000 0.488 877 D N 6.014 126.468 120.400 0.090 0.000 2.428 877 D HA 0.280 4.923 4.640 0.005 0.000 0.221 877 D C 0.805 177.138 176.300 0.055 0.000 1.123 877 D CA -0.292 53.750 54.000 0.070 0.000 0.869 877 D CB 1.613 42.461 40.800 0.080 0.000 1.032 877 D HN 0.616 nan 8.370 nan 0.000 0.506 878 A N 3.757 126.600 122.820 0.038 0.000 2.125 878 A HA -0.103 4.220 4.320 0.005 0.000 0.219 878 A C 1.242 178.840 177.584 0.024 0.000 1.156 878 A CA 0.932 52.989 52.037 0.033 0.000 0.671 878 A CB 0.130 19.142 19.000 0.020 0.000 0.794 878 A HN 0.537 nan 8.150 nan 0.000 0.459 879 D N -0.374 120.039 120.400 0.022 0.000 2.395 879 D HA 0.079 4.722 4.640 0.005 0.000 0.213 879 D C 0.313 176.619 176.300 0.011 0.000 1.110 879 D CA 0.015 54.023 54.000 0.014 0.000 0.835 879 D CB 0.175 40.982 40.800 0.013 0.000 0.965 879 D HN 0.727 nan 8.370 nan 0.000 0.505 880 K N 0.411 120.819 120.400 0.014 0.000 2.336 880 K HA 0.190 4.514 4.320 0.005 0.000 0.262 880 K C 0.404 176.996 176.600 -0.014 0.000 0.992 880 K CA -0.548 55.743 56.287 0.007 0.000 0.927 880 K CB 1.153 33.660 32.500 0.012 0.000 0.956 880 K HN -0.228 nan 8.250 nan 0.000 0.495 881 V N 1.975 121.882 119.914 -0.012 0.000 2.963 881 V HA -0.039 4.084 4.120 0.005 0.000 0.306 881 V C 0.118 176.178 176.094 -0.057 0.000 1.077 881 V CA -0.438 61.851 62.300 -0.020 0.000 1.124 881 V CB 0.797 32.620 31.823 -0.000 0.000 0.987 881 V HN 0.988 nan 8.190 nan 0.000 0.487 882 N N 5.760 124.428 118.700 -0.052 0.000 2.412 882 N HA 0.073 4.816 4.740 0.005 0.000 0.258 882 N C -1.790 173.662 175.510 -0.097 0.000 1.236 882 N CA -0.859 52.144 53.050 -0.078 0.000 0.882 882 N CB 1.395 39.854 38.487 -0.048 0.000 1.066 882 N HN 0.423 nan 8.380 nan 0.000 0.465 883 P HA -0.141 nan 4.420 nan 0.000 0.217 883 P C 1.177 178.472 177.300 -0.009 0.000 1.148 883 P CA 1.124 64.090 63.100 -0.223 0.000 0.828 883 P CB 0.120 31.593 31.700 -0.377 0.000 0.783 884 R N -0.060 120.439 120.500 -0.002 0.000 2.193 884 R HA -0.060 4.283 4.340 0.005 0.000 0.229 884 R C 1.544 177.865 176.300 0.035 0.000 1.110 884 R CA 1.070 57.180 56.100 0.016 0.000 0.988 884 R CB -0.512 29.776 30.300 -0.019 0.000 0.871 884 R HN 0.236 nan 8.270 nan 0.000 0.458 885 L N -0.013 121.232 121.223 0.037 0.000 2.590 885 L HA 0.302 4.645 4.340 0.005 0.000 0.227 885 L C 1.155 178.079 176.870 0.090 0.000 1.099 885 L CA -0.223 54.653 54.840 0.059 0.000 0.872 885 L CB 0.121 42.197 42.059 0.030 0.000 1.088 885 L HN 0.104 nan 8.230 nan 0.000 0.479 886 A N 0.000 122.877 122.820 0.096 0.000 2.254 886 A HA 0.000 4.323 4.320 0.005 0.000 0.244 886 A CA 0.000 52.103 52.037 0.111 0.000 0.836 886 A CB 0.000 19.089 19.000 0.148 0.000 0.831 886 A HN 0.000 nan 8.150 nan 0.000 0.486