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 1p5w_1_A DATA FIRST_RESID 37 DATA SEQUENCE GVGISTGTFN NQTEFKFLEN GWVEITANSS RLVHLNMPES ENYRRVVVNN DATA SEQUENCE MDKTAVRGNM ALDDIHAQIV TPWSLVDANA WGVWFNPGDW QLIVNTMSEL DATA SEQUENCE HLVSFEQEIF NVVLKTVSEX XXXPPTKVYN NDLTASLMVA LDSNNTMPFT DATA SEQUENCE PAAMRSETLG FYPWKPTIPT PWRYYFQWDR TLIPSHTGTS GTPTNIYHGT DATA SEQUENCE DPDDVQFYTI ENSVPVHLLR TGDEFATGTF FFDCKPCRLT HTWQTNRALG DATA SEQUENCE LPPFLNSLPQ SEGATNFGDI GVQQDKRRGV TQMGNTNYIT EATIMRPAEV DATA SEQUENCE GYSAPYYSFE ASTQGPFKTP IAAGRGGAQT DENQAADGNP RYAFGRQHGQ DATA SEQUENCE KTTTTGETPE RFTYIAHQDT GRYPEGDWIQ NINFNLPVTN DNVLLPTDPI DATA SEQUENCE GGKTGINYTN IFNTYGPLTA LNNVPPVYPN GQIWDKEFDT DLKPRLHVNA DATA SEQUENCE PFVcQNNcPG QLFVKVAPNL TNEYDPDASA NMSRIVTYSD FWWKGKLVFK DATA SEQUENCE AKLRASHTWN PIQQMSINVD NQFNYVPSNI GGMKIVYEKS QLAPRKLY 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 37 G HA2 0.000 nan 3.960 nan 0.000 0.244 37 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 37 G C 0.000 174.924 174.900 0.040 0.000 0.946 37 G CA 0.000 45.120 45.100 0.033 0.000 0.502 38 V N 1.161 121.097 119.914 0.036 0.000 2.261 38 V HA 0.039 4.159 4.120 0.000 0.000 0.246 38 V C 2.496 178.615 176.094 0.041 0.000 1.047 38 V CA 2.538 64.861 62.300 0.039 0.000 1.015 38 V CB -0.495 31.347 31.823 0.032 0.000 0.642 38 V HN 1.050 nan 8.190 nan 0.000 0.446 39 G N -0.007 108.815 108.800 0.035 0.000 3.591 39 G HA2 0.370 4.330 3.960 0.000 0.000 0.282 39 G HA3 0.370 4.330 3.960 0.000 0.000 0.282 39 G C 0.149 175.070 174.900 0.034 0.000 1.238 39 G CA -0.078 45.043 45.100 0.035 0.000 0.993 39 G HN 0.279 nan 8.290 nan 0.000 0.542 40 I N 0.281 120.875 120.570 0.039 0.000 2.569 40 I HA 0.355 4.525 4.170 0.000 0.000 0.296 40 I C -0.167 175.980 176.117 0.050 0.000 1.028 40 I CA -0.820 60.502 61.300 0.036 0.000 1.082 40 I CB 1.760 39.778 38.000 0.030 0.000 1.264 40 I HN -0.190 nan 8.210 nan 0.000 0.429 41 S N 2.468 118.193 115.700 0.043 0.000 2.537 41 S HA 0.276 4.747 4.470 0.000 0.000 0.275 41 S C 1.026 175.665 174.600 0.066 0.000 1.272 41 S CA -0.421 57.815 58.200 0.061 0.000 1.050 41 S CB 0.907 64.126 63.200 0.032 0.000 0.961 41 S HN 0.754 nan 8.310 nan 0.000 0.496 42 T N -0.344 114.287 114.554 0.129 0.000 3.122 42 T HA 0.493 4.843 4.350 0.000 0.000 0.250 42 T C 0.661 175.358 174.700 -0.005 0.000 1.067 42 T CA -0.027 62.131 62.100 0.097 0.000 0.966 42 T CB 0.084 69.046 68.868 0.156 0.000 1.002 42 T HN 0.687 nan 8.240 nan 0.000 0.542 43 G N -0.264 108.497 108.800 -0.065 0.000 2.554 43 G HA2 0.548 4.508 3.960 0.000 0.000 0.306 43 G HA3 0.548 4.508 3.960 0.000 0.000 0.306 43 G C -1.661 172.991 174.900 -0.414 0.000 1.320 43 G CA -0.656 44.099 45.100 -0.575 0.000 0.800 43 G HN 0.109 nan 8.290 nan 0.000 0.481 44 T N 0.232 114.437 114.554 -0.582 0.000 2.876 44 T HA 0.514 4.864 4.350 0.000 0.000 0.289 44 T C -1.552 173.123 174.700 -0.041 0.000 1.014 44 T CA -0.210 61.770 62.100 -0.199 0.000 0.986 44 T CB 1.608 70.387 68.868 -0.149 0.000 1.021 44 T HN 0.485 nan 8.240 nan 0.000 0.458 45 F N 4.294 124.251 119.950 0.013 0.000 2.350 45 F HA 0.605 5.132 4.527 0.000 0.000 0.365 45 F C -0.107 175.760 175.800 0.111 0.000 1.122 45 F CA -0.918 57.173 58.000 0.151 0.000 1.139 45 F CB 0.254 39.317 39.000 0.104 0.000 1.220 45 F HN 0.419 nan 8.300 nan 0.000 0.499 46 N N 4.442 123.030 118.700 -0.187 0.000 2.448 46 N HA 0.285 5.025 4.740 0.000 0.000 0.279 46 N C -1.214 174.210 175.510 -0.143 0.000 1.025 46 N CA -0.431 52.580 53.050 -0.066 0.000 0.898 46 N CB 0.996 39.465 38.487 -0.029 0.000 1.303 46 N HN 0.585 nan 8.380 nan 0.000 0.495 47 N N 1.298 119.996 118.700 -0.004 0.000 2.416 47 N HA 0.146 4.886 4.740 0.000 0.000 0.267 47 N C -1.110 174.490 175.510 0.151 0.000 1.294 47 N CA -0.193 52.889 53.050 0.053 0.000 0.891 47 N CB 0.472 39.044 38.487 0.142 0.000 1.238 47 N HN 0.556 nan 8.380 nan 0.000 0.508 48 Q N -0.011 119.870 119.800 0.134 0.000 2.259 48 Q HA 0.320 4.660 4.340 0.000 0.000 0.249 48 Q C -0.791 175.299 176.000 0.150 0.000 0.914 48 Q CA -0.013 55.884 55.803 0.156 0.000 0.904 48 Q CB 0.841 29.658 28.738 0.132 0.000 1.213 48 Q HN 0.087 nan 8.270 nan 0.000 0.428 49 T N 4.149 118.816 114.554 0.189 0.000 2.788 49 T HA 0.266 4.616 4.350 0.000 0.000 0.296 49 T C -1.069 173.712 174.700 0.136 0.000 1.009 49 T CA -0.551 61.651 62.100 0.170 0.000 0.949 49 T CB 0.714 69.752 68.868 0.284 0.000 0.946 49 T HN 0.529 nan 8.240 nan 0.000 0.453 50 E N 2.125 122.339 120.200 0.023 0.000 2.249 50 E HA 0.413 4.763 4.350 0.000 0.000 0.280 50 E C -0.999 175.491 176.600 -0.183 0.000 1.016 50 E CA -0.478 55.934 56.400 0.021 0.000 0.830 50 E CB 1.073 30.787 29.700 0.022 0.000 1.081 50 E HN 0.446 nan 8.360 nan 0.000 0.395 51 F N 2.291 122.220 119.950 -0.035 0.000 2.366 51 F HA 0.252 4.779 4.527 0.000 0.000 0.366 51 F C 0.213 175.798 175.800 -0.358 0.000 1.096 51 F CA -0.725 57.131 58.000 -0.240 0.000 1.060 51 F CB 1.237 40.042 39.000 -0.324 0.000 1.282 51 F HN 0.162 nan 8.300 nan 0.000 0.450 52 K N 4.911 125.197 120.400 -0.189 0.000 2.292 52 K HA 0.416 4.736 4.320 0.000 0.000 0.270 52 K C -1.198 175.319 176.600 -0.138 0.000 1.062 52 K CA -0.428 55.805 56.287 -0.091 0.000 0.916 52 K CB 0.447 32.940 32.500 -0.011 0.000 1.166 52 K HN 0.329 nan 8.250 nan 0.000 0.458 53 F N 5.170 125.201 119.950 0.135 0.000 2.438 53 F HA 0.271 4.798 4.527 0.000 0.000 0.356 53 F C 0.323 176.186 175.800 0.105 0.000 1.099 53 F CA -0.408 57.663 58.000 0.120 0.000 1.185 53 F CB 0.571 39.623 39.000 0.086 0.000 1.115 53 F HN 0.225 nan 8.300 nan 0.000 0.526 54 L N 1.621 123.017 121.223 0.288 0.000 2.298 54 L HA 0.477 4.817 4.340 0.000 0.000 0.268 54 L C 0.175 177.172 176.870 0.213 0.000 1.010 54 L CA -1.346 53.623 54.840 0.215 0.000 0.812 54 L CB 0.877 43.052 42.059 0.192 0.000 1.331 54 L HN 0.450 nan 8.230 nan 0.000 0.450 55 E N 0.912 121.211 120.200 0.165 0.000 2.415 55 E HA -0.024 4.326 4.350 0.000 0.000 0.262 55 E C -0.259 176.463 176.600 0.205 0.000 1.038 55 E CA 0.116 56.603 56.400 0.144 0.000 0.921 55 E CB 0.131 29.893 29.700 0.104 0.000 0.950 55 E HN 0.525 nan 8.360 nan 0.000 0.438 56 N N 0.758 119.549 118.700 0.151 0.000 2.818 56 N HA -0.184 4.556 4.740 0.000 0.000 0.250 56 N C 0.461 176.009 175.510 0.063 0.000 1.108 56 N CA 1.003 54.144 53.050 0.151 0.000 0.745 56 N CB -1.180 37.461 38.487 0.257 0.000 1.104 56 N HN 0.936 nan 8.380 nan 0.000 0.557 57 G N -1.222 107.605 108.800 0.045 0.000 2.176 57 G HA2 -0.300 3.660 3.960 0.000 0.000 0.252 57 G HA3 -0.300 3.660 3.960 0.000 0.000 0.252 57 G C -0.125 174.675 174.900 -0.168 0.000 1.024 57 G CA 0.597 45.661 45.100 -0.061 0.000 0.755 57 G HN 0.439 nan 8.290 nan 0.000 0.507 58 W N -1.257 120.098 121.300 0.092 0.000 2.512 58 W HA 0.646 5.306 4.660 0.000 0.000 0.335 58 W C 0.118 176.691 176.519 0.090 0.000 1.088 58 W CA -0.984 56.401 57.345 0.066 0.000 1.236 58 W CB 1.985 31.457 29.460 0.021 0.000 1.307 58 W HN 0.183 nan 8.180 nan 0.000 0.567 59 V N 1.637 121.745 119.914 0.324 0.000 2.709 59 V HA 0.252 4.372 4.120 0.000 0.000 0.308 59 V C -0.724 175.441 176.094 0.119 0.000 1.062 59 V CA -1.316 61.065 62.300 0.134 0.000 0.901 59 V CB 1.761 33.603 31.823 0.030 0.000 1.003 59 V HN 0.527 nan 8.190 nan 0.000 0.425 60 E N 4.264 124.481 120.200 0.028 0.000 2.035 60 E HA 0.456 4.806 4.350 0.000 0.000 0.271 60 E C -0.975 175.597 176.600 -0.046 0.000 0.953 60 E CA -0.468 55.949 56.400 0.029 0.000 0.777 60 E CB 0.777 30.488 29.700 0.018 0.000 1.104 60 E HN 0.654 nan 8.360 nan 0.000 0.408 61 I N 4.165 124.724 120.570 -0.018 0.000 2.337 61 I HA 0.115 4.285 4.170 0.000 0.000 0.291 61 I C -0.090 176.041 176.117 0.023 0.000 1.046 61 I CA -0.103 61.102 61.300 -0.158 0.000 1.324 61 I CB 1.292 39.212 38.000 -0.133 0.000 1.409 61 I HN 0.376 nan 8.210 nan 0.000 0.494 62 T N 6.319 120.835 114.554 -0.063 0.000 2.874 62 T HA 0.478 4.828 4.350 0.000 0.000 0.321 62 T C 0.132 174.866 174.700 0.058 0.000 1.075 62 T CA -0.489 61.624 62.100 0.021 0.000 0.966 62 T CB 0.947 69.812 68.868 -0.006 0.000 1.001 62 T HN 0.656 nan 8.240 nan 0.000 0.476 63 A N 4.620 127.517 122.820 0.130 0.000 2.269 63 A HA 0.544 4.864 4.320 0.000 0.000 0.302 63 A C 0.254 178.009 177.584 0.286 0.000 1.266 63 A CA -0.741 51.383 52.037 0.146 0.000 0.894 63 A CB 0.218 19.187 19.000 -0.051 0.000 1.147 63 A HN 0.700 nan 8.150 nan 0.000 0.537 64 N N 1.139 119.966 118.700 0.213 0.000 2.430 64 N HA 0.503 5.243 4.740 0.000 0.000 0.292 64 N C -0.941 174.641 175.510 0.119 0.000 1.051 64 N CA 0.017 53.172 53.050 0.175 0.000 0.917 64 N CB 1.848 40.376 38.487 0.068 0.000 1.164 64 N HN 0.552 nan 8.380 nan 0.000 0.484 65 S N 0.461 116.167 115.700 0.010 0.000 2.548 65 S HA 0.619 5.089 4.470 0.000 0.000 0.276 65 S C -1.404 173.079 174.600 -0.194 0.000 1.129 65 S CA -0.506 57.618 58.200 -0.127 0.000 0.931 65 S CB 0.745 63.744 63.200 -0.336 0.000 1.068 65 S HN 0.415 nan 8.310 nan 0.000 0.480 66 S N 3.694 119.282 115.700 -0.186 0.000 2.549 66 S HA 0.789 5.259 4.470 0.000 0.000 0.280 66 S C -1.212 173.457 174.600 0.115 0.000 1.109 66 S CA -1.022 57.083 58.200 -0.158 0.000 0.905 66 S CB 1.557 64.327 63.200 -0.717 0.000 1.081 66 S HN 0.690 nan 8.310 nan 0.000 0.477 67 R N 0.838 121.581 120.500 0.404 0.000 2.707 67 R HA 0.440 4.780 4.340 0.000 0.000 0.272 67 R C -1.772 174.604 176.300 0.127 0.000 1.011 67 R CA -0.890 55.397 56.100 0.312 0.000 0.893 67 R CB 1.628 32.029 30.300 0.169 0.000 1.233 67 R HN 0.556 nan 8.270 nan 0.000 0.464 68 L N 1.975 123.075 121.223 -0.205 0.000 2.257 68 L HA 0.385 4.725 4.340 0.000 0.000 0.290 68 L C -0.916 175.641 176.870 -0.521 0.000 1.044 68 L CA -0.318 54.061 54.840 -0.768 0.000 0.810 68 L CB 1.311 42.755 42.059 -1.024 0.000 1.193 68 L HN 0.309 nan 8.230 nan 0.000 0.425 69 V N 4.987 124.502 119.914 -0.665 0.000 2.427 69 V HA 0.322 4.442 4.120 0.000 0.000 0.286 69 V C -0.551 175.151 176.094 -0.653 0.000 1.034 69 V CA -0.639 61.239 62.300 -0.703 0.000 0.893 69 V CB 1.164 32.338 31.823 -1.083 0.000 0.982 69 V HN 0.841 nan 8.190 nan 0.000 0.452 70 H N 4.385 123.194 119.070 -0.435 0.000 2.459 70 H HA 0.733 5.289 4.556 0.000 0.000 0.332 70 H C -1.177 174.062 175.328 -0.148 0.000 1.094 70 H CA -0.575 55.322 56.048 -0.253 0.000 1.224 70 H CB 1.507 31.160 29.762 -0.183 0.000 1.449 70 H HN 0.539 nan 8.280 nan 0.000 0.484 71 L N 5.367 126.255 121.223 -0.559 0.000 2.438 71 L HA 0.439 4.779 4.340 0.000 0.000 0.270 71 L C -1.397 175.319 176.870 -0.258 0.000 0.972 71 L CA -0.485 54.193 54.840 -0.270 0.000 0.831 71 L CB 1.611 43.680 42.059 0.016 0.000 1.273 71 L HN 0.714 nan 8.230 nan 0.000 0.405 72 N N 4.411 123.016 118.700 -0.159 0.000 2.489 72 N HA 0.524 5.264 4.740 0.000 0.000 0.284 72 N C -0.412 175.079 175.510 -0.031 0.000 1.158 72 N CA -0.549 52.463 53.050 -0.064 0.000 0.965 72 N CB 1.645 40.110 38.487 -0.037 0.000 1.195 72 N HN 0.733 nan 8.380 nan 0.000 0.506 73 M N 0.468 120.061 119.600 -0.011 0.000 2.245 73 M HA 0.362 4.842 4.480 0.000 0.000 0.330 73 M C -2.120 174.149 176.300 -0.052 0.000 1.098 73 M CA -1.201 54.074 55.300 -0.040 0.000 1.172 73 M CB -0.306 32.277 32.600 -0.028 0.000 1.467 73 M HN 0.192 nan 8.290 nan 0.000 0.454 74 P HA 0.050 nan 4.420 nan 0.000 0.269 74 P C -0.282 176.981 177.300 -0.062 0.000 1.209 74 P CA 0.131 63.182 63.100 -0.083 0.000 0.776 74 P CB 0.602 32.221 31.700 -0.135 0.000 0.876 75 E N 0.307 120.475 120.200 -0.052 0.000 2.086 75 E HA -0.162 4.188 4.350 0.000 0.000 0.205 75 E C 0.818 177.390 176.600 -0.045 0.000 1.027 75 E CA 1.458 57.831 56.400 -0.044 0.000 0.830 75 E CB -0.103 29.571 29.700 -0.044 0.000 0.751 75 E HN 0.493 nan 8.360 nan 0.000 0.456 76 S N -1.323 114.342 115.700 -0.058 0.000 2.564 76 S HA 0.141 4.611 4.470 0.000 0.000 0.274 76 S C -0.029 174.524 174.600 -0.079 0.000 1.124 76 S CA -0.803 57.365 58.200 -0.053 0.000 0.869 76 S CB 1.728 64.900 63.200 -0.046 0.000 1.105 76 S HN -0.031 nan 8.310 nan 0.000 0.472 77 E N 1.838 122.000 120.200 -0.062 0.000 2.502 77 E HA 0.110 4.460 4.350 0.000 0.000 0.194 77 E C -0.134 176.419 176.600 -0.079 0.000 1.062 77 E CA 0.343 56.692 56.400 -0.084 0.000 0.867 77 E CB -0.173 29.501 29.700 -0.043 0.000 0.888 77 E HN 0.588 nan 8.360 nan 0.000 0.510 78 N N -0.656 118.014 118.700 -0.050 0.000 2.476 78 N HA 0.228 4.968 4.740 0.000 0.000 0.276 78 N C -0.825 174.656 175.510 -0.048 0.000 1.204 78 N CA -0.513 52.541 53.050 0.007 0.000 0.974 78 N CB 0.658 39.175 38.487 0.050 0.000 1.204 78 N HN -0.120 nan 8.380 nan 0.000 0.543 79 Y N 0.282 120.646 120.300 0.107 0.000 2.323 79 Y HA 0.427 4.977 4.550 0.000 0.000 0.331 79 Y C 0.002 175.884 175.900 -0.030 0.000 1.092 79 Y CA -0.326 57.842 58.100 0.114 0.000 1.150 79 Y CB 1.128 39.780 38.460 0.320 0.000 1.200 79 Y HN 0.213 nan 8.280 nan 0.000 0.472 80 R N 1.885 122.408 120.500 0.038 0.000 2.670 80 R HA 0.493 4.833 4.340 0.000 0.000 0.289 80 R C -0.919 175.254 176.300 -0.213 0.000 0.965 80 R CA -1.038 55.000 56.100 -0.103 0.000 0.899 80 R CB 1.903 32.137 30.300 -0.109 0.000 1.173 80 R HN 0.526 nan 8.270 nan 0.000 0.456 81 R N 2.788 123.097 120.500 -0.318 0.000 2.239 81 R HA 0.399 4.739 4.340 0.000 0.000 0.332 81 R C -1.267 174.832 176.300 -0.336 0.000 0.988 81 R CA -0.347 55.480 56.100 -0.455 0.000 0.859 81 R CB 0.865 30.745 30.300 -0.699 0.000 1.148 81 R HN 0.394 nan 8.270 nan 0.000 0.482 82 V N 4.970 124.705 119.914 -0.298 0.000 2.628 82 V HA 0.414 4.534 4.120 0.000 0.000 0.306 82 V C -0.227 175.673 176.094 -0.323 0.000 1.045 82 V CA -0.814 61.324 62.300 -0.270 0.000 0.905 82 V CB 2.099 33.781 31.823 -0.234 0.000 0.997 82 V HN 0.457 nan 8.190 nan 0.000 0.436 83 V N 4.432 124.135 119.914 -0.352 0.000 2.547 83 V HA 0.514 4.634 4.120 0.000 0.000 0.299 83 V C -0.258 175.524 176.094 -0.521 0.000 1.040 83 V CA -0.573 61.427 62.300 -0.499 0.000 0.913 83 V CB 2.050 33.530 31.823 -0.572 0.000 0.992 83 V HN 0.596 nan 8.190 nan 0.000 0.449 84 V N 4.136 123.650 119.914 -0.668 0.000 2.459 84 V HA 0.524 4.644 4.120 0.000 0.000 0.295 84 V C -0.226 175.621 176.094 -0.412 0.000 1.029 84 V CA -0.536 61.465 62.300 -0.498 0.000 0.874 84 V CB 1.812 33.315 31.823 -0.533 0.000 0.985 84 V HN 0.879 nan 8.190 nan 0.000 0.438 85 N N 4.189 122.721 118.700 -0.280 0.000 2.577 85 N HA 0.217 4.957 4.740 0.000 0.000 0.275 85 N C -0.557 174.878 175.510 -0.125 0.000 1.091 85 N CA -0.424 52.498 53.050 -0.214 0.000 0.843 85 N CB 1.335 39.680 38.487 -0.236 0.000 1.295 85 N HN 0.742 nan 8.380 nan 0.000 0.530 86 N N 4.289 122.940 118.700 -0.082 0.000 2.920 86 N HA 0.050 4.790 4.740 0.000 0.000 0.310 86 N C 1.003 176.490 175.510 -0.038 0.000 1.384 86 N CA -0.367 52.652 53.050 -0.052 0.000 1.083 86 N CB 0.350 38.819 38.487 -0.031 0.000 1.389 86 N HN 0.430 nan 8.380 nan 0.000 0.521 87 M N 1.551 121.125 119.600 -0.044 0.000 2.073 87 M HA -0.220 4.260 4.480 0.000 0.000 0.258 87 M C 1.436 177.719 176.300 -0.027 0.000 1.070 87 M CA 1.923 57.205 55.300 -0.030 0.000 1.103 87 M CB -0.308 32.272 32.600 -0.034 0.000 1.321 87 M HN 0.389 nan 8.290 nan 0.000 0.405 88 D N -1.062 119.319 120.400 -0.031 0.000 2.315 88 D HA -0.257 4.383 4.640 0.000 0.000 0.211 88 D C 1.749 178.034 176.300 -0.025 0.000 0.977 88 D CA 1.456 55.439 54.000 -0.028 0.000 0.894 88 D CB -0.357 40.426 40.800 -0.030 0.000 0.910 88 D HN 0.370 nan 8.370 nan 0.000 0.490 89 K N 0.784 121.170 120.400 -0.024 0.000 2.244 89 K HA 0.000 4.320 4.320 0.000 0.000 0.200 89 K C 1.921 178.507 176.600 -0.023 0.000 1.052 89 K CA 1.249 57.523 56.287 -0.022 0.000 0.980 89 K CB -0.164 32.324 32.500 -0.020 0.000 0.838 89 K HN 0.150 nan 8.250 nan 0.000 0.481 90 T N -1.975 112.566 114.554 -0.020 0.000 3.148 90 T HA 0.251 4.601 4.350 0.000 0.000 0.253 90 T C 1.203 175.888 174.700 -0.024 0.000 1.134 90 T CA 0.340 62.427 62.100 -0.022 0.000 1.051 90 T CB 0.315 69.177 68.868 -0.010 0.000 0.959 90 T HN 0.128 nan 8.240 nan 0.000 0.525 91 A N 0.791 123.597 122.820 -0.024 0.000 2.415 91 A HA 0.552 4.872 4.320 0.000 0.000 0.248 91 A C 1.340 178.907 177.584 -0.027 0.000 1.299 91 A CA -0.289 51.733 52.037 -0.025 0.000 0.899 91 A CB -0.068 18.919 19.000 -0.023 0.000 0.997 91 A HN 0.414 nan 8.150 nan 0.000 0.506 92 V N 2.010 121.907 119.914 -0.028 0.000 3.170 92 V HA 0.023 4.143 4.120 0.000 0.000 0.354 92 V C 0.787 176.864 176.094 -0.030 0.000 1.350 92 V CA -0.138 62.146 62.300 -0.026 0.000 1.244 92 V CB -1.164 30.645 31.823 -0.022 0.000 1.222 92 V HN 0.847 nan 8.190 nan 0.000 0.478 93 R N 0.943 121.418 120.500 -0.041 0.000 2.181 93 R HA -0.210 4.130 4.340 0.000 0.000 0.216 93 R C 0.427 176.703 176.300 -0.040 0.000 0.717 93 R CA 1.090 57.157 56.100 -0.055 0.000 0.506 93 R CB -2.155 28.097 30.300 -0.080 0.000 1.447 93 R HN 0.786 nan 8.270 nan 0.000 0.546 94 G N 0.431 109.209 108.800 -0.037 0.000 4.718 94 G HA2 -0.078 3.882 3.960 0.000 0.000 0.221 94 G HA3 -0.078 3.882 3.960 0.000 0.000 0.221 94 G C -0.077 174.797 174.900 -0.043 0.000 0.720 94 G CA -0.165 44.922 45.100 -0.022 0.000 1.094 94 G HN 0.413 nan 8.290 nan 0.000 0.760 95 N N 0.183 118.849 118.700 -0.056 0.000 2.197 95 N HA 0.221 4.961 4.740 0.000 0.000 0.228 95 N C 1.995 177.451 175.510 -0.090 0.000 1.212 95 N CA -0.114 52.897 53.050 -0.064 0.000 0.883 95 N CB 0.236 38.698 38.487 -0.042 0.000 1.107 95 N HN 0.263 nan 8.380 nan 0.000 0.519 96 M N 0.210 119.740 119.600 -0.117 0.000 2.108 96 M HA -0.141 4.339 4.480 0.000 0.000 0.257 96 M C 2.036 178.225 176.300 -0.185 0.000 1.071 96 M CA 1.720 56.939 55.300 -0.136 0.000 1.093 96 M CB -0.786 31.715 32.600 -0.166 0.000 1.345 96 M HN 0.153 nan 8.290 nan 0.000 0.403 97 A N -0.010 122.621 122.820 -0.315 0.000 2.131 97 A HA -0.040 4.280 4.320 0.000 0.000 0.220 97 A C 1.950 179.478 177.584 -0.092 0.000 1.158 97 A CA 1.127 52.957 52.037 -0.345 0.000 0.665 97 A CB -1.030 17.700 19.000 -0.451 0.000 0.795 97 A HN 0.548 nan 8.150 nan 0.000 0.460 98 L N 0.006 121.190 121.223 -0.066 0.000 2.653 98 L HA 0.105 4.445 4.340 0.000 0.000 0.232 98 L C 0.083 176.957 176.870 0.006 0.000 1.169 98 L CA -0.438 54.392 54.840 -0.017 0.000 0.951 98 L CB -0.565 41.481 42.059 -0.022 0.000 1.181 98 L HN 0.209 nan 8.230 nan 0.000 0.460 99 D N 0.477 120.889 120.400 0.020 0.000 2.424 99 D HA -0.011 4.629 4.640 0.000 0.000 0.244 99 D C 0.367 176.714 176.300 0.079 0.000 1.134 99 D CA 0.542 54.573 54.000 0.052 0.000 0.881 99 D CB 0.945 41.792 40.800 0.078 0.000 1.191 99 D HN -0.013 nan 8.370 nan 0.000 0.445 100 D N 2.512 122.955 120.400 0.073 0.000 2.520 100 D HA 0.127 4.767 4.640 0.000 0.000 0.223 100 D C 0.195 176.575 176.300 0.134 0.000 1.186 100 D CA -0.232 53.829 54.000 0.101 0.000 0.821 100 D CB 0.193 41.035 40.800 0.070 0.000 1.072 100 D HN 0.444 nan 8.370 nan 0.000 0.518 101 I N 3.392 124.000 120.570 0.064 0.000 2.742 101 I HA -0.029 4.141 4.170 0.000 0.000 0.287 101 I C 0.517 176.533 176.117 -0.168 0.000 1.186 101 I CA 0.967 62.230 61.300 -0.061 0.000 1.417 101 I CB 0.017 38.029 38.000 0.020 0.000 1.377 101 I HN 0.108 nan 8.210 nan 0.000 0.556 102 H N 4.641 123.295 119.070 -0.693 0.000 2.987 102 H HA 0.732 5.288 4.556 0.000 0.000 0.316 102 H C -1.955 172.762 175.328 -1.018 0.000 1.380 102 H CA -1.205 53.959 56.048 -1.474 0.000 1.160 102 H CB 1.113 30.410 29.762 -0.774 0.000 1.865 102 H HN 0.536 nan 8.280 nan 0.000 0.521 103 A N 1.373 123.635 122.820 -0.930 0.000 2.356 103 A HA 0.646 4.966 4.320 0.000 0.000 0.323 103 A C -0.663 176.981 177.584 0.101 0.000 1.119 103 A CA -0.438 51.440 52.037 -0.265 0.000 0.790 103 A CB 1.787 20.911 19.000 0.208 0.000 1.273 103 A HN 0.873 nan 8.150 nan 0.000 0.452 104 Q N 1.002 120.782 119.800 -0.033 0.000 2.391 104 Q HA 0.585 4.925 4.340 0.000 0.000 0.279 104 Q C -1.759 174.096 176.000 -0.242 0.000 1.028 104 Q CA -0.864 54.913 55.803 -0.043 0.000 0.836 104 Q CB 1.278 29.970 28.738 -0.076 0.000 1.414 104 Q HN 0.437 nan 8.270 nan 0.000 0.397 105 I N 2.526 122.835 120.570 -0.435 0.000 2.325 105 I HA 0.262 4.432 4.170 0.000 0.000 0.291 105 I C -0.354 175.491 176.117 -0.453 0.000 1.019 105 I CA -0.743 60.250 61.300 -0.512 0.000 1.302 105 I CB 1.442 38.972 38.000 -0.782 0.000 1.401 105 I HN 0.540 nan 8.210 nan 0.000 0.485 106 V N 6.443 126.218 119.914 -0.231 0.000 2.348 106 V HA 0.264 4.384 4.120 0.000 0.000 0.270 106 V C 0.714 176.779 176.094 -0.048 0.000 1.037 106 V CA -0.536 61.669 62.300 -0.159 0.000 0.872 106 V CB 1.242 32.987 31.823 -0.131 0.000 1.002 106 V HN 0.895 nan 8.190 nan 0.000 0.464 107 T N 3.245 117.793 114.554 -0.011 0.000 2.934 107 T HA 0.474 4.824 4.350 0.000 0.000 0.283 107 T C -1.588 173.094 174.700 -0.031 0.000 1.005 107 T CA -2.025 60.090 62.100 0.024 0.000 1.041 107 T CB 2.029 71.140 68.868 0.405 0.000 1.042 107 T HN 0.481 nan 8.240 nan 0.000 0.505 108 P HA 0.190 nan 4.420 nan 0.000 0.253 108 P C -0.685 176.526 177.300 -0.148 0.000 1.260 108 P CA -0.213 62.771 63.100 -0.194 0.000 0.800 108 P CB -0.036 31.462 31.700 -0.338 0.000 1.162 109 W N 0.535 121.854 121.300 0.032 0.000 2.448 109 W HA 0.397 5.057 4.660 0.000 0.000 0.339 109 W C 0.561 177.223 176.519 0.239 0.000 1.124 109 W CA -0.055 57.369 57.345 0.132 0.000 1.262 109 W CB 0.868 30.408 29.460 0.135 0.000 1.251 109 W HN -0.276 nan 8.180 nan 0.000 0.597 110 S N 1.852 117.829 115.700 0.462 0.000 2.593 110 S HA 0.612 5.082 4.470 0.000 0.000 0.297 110 S C -1.358 173.498 174.600 0.426 0.000 1.112 110 S CA -0.705 57.721 58.200 0.376 0.000 1.043 110 S CB 1.159 64.489 63.200 0.217 0.000 1.054 110 S HN 0.337 nan 8.310 nan 0.000 0.516 111 L N 3.301 124.716 121.223 0.321 0.000 2.296 111 L HA 0.610 4.950 4.340 0.000 0.000 0.286 111 L C -1.111 175.767 176.870 0.013 0.000 1.023 111 L CA -0.377 54.542 54.840 0.131 0.000 0.812 111 L CB 1.242 43.397 42.059 0.159 0.000 1.223 111 L HN 0.404 nan 8.230 nan 0.000 0.421 112 V N 5.332 125.202 119.914 -0.074 0.000 2.304 112 V HA 0.334 4.454 4.120 0.000 0.000 0.262 112 V C -0.271 175.735 176.094 -0.147 0.000 1.061 112 V CA -0.463 61.779 62.300 -0.095 0.000 0.872 112 V CB 0.601 32.402 31.823 -0.037 0.000 1.077 112 V HN 0.744 nan 8.190 nan 0.000 0.480 113 D N 4.163 124.468 120.400 -0.159 0.000 2.308 113 D HA 0.581 5.221 4.640 0.000 0.000 0.242 113 D C 0.160 176.348 176.300 -0.187 0.000 1.059 113 D CA -0.357 53.556 54.000 -0.146 0.000 0.830 113 D CB 2.442 43.156 40.800 -0.144 0.000 1.161 113 D HN 0.499 nan 8.370 nan 0.000 0.494 114 A N 3.824 126.571 122.820 -0.122 0.000 2.606 114 A HA 0.076 4.396 4.320 0.000 0.000 0.290 114 A C 0.544 178.120 177.584 -0.013 0.000 1.174 114 A CA -0.465 51.506 52.037 -0.110 0.000 0.958 114 A CB -0.082 18.896 19.000 -0.036 0.000 1.194 114 A HN 0.438 nan 8.150 nan 0.000 0.526 115 N N 2.284 120.820 118.700 -0.272 0.000 2.739 115 N HA 0.473 5.213 4.740 0.000 0.000 0.266 115 N C -0.652 174.633 175.510 -0.374 0.000 1.168 115 N CA 0.804 53.471 53.050 -0.639 0.000 1.055 115 N CB -0.006 37.901 38.487 -0.967 0.000 1.393 115 N HN 0.509 nan 8.380 nan 0.000 0.514 116 A N 2.089 124.792 122.820 -0.196 0.000 2.547 116 A HA 0.185 4.505 4.320 0.000 0.000 0.300 116 A C 0.209 177.752 177.584 -0.068 0.000 1.061 116 A CA -0.845 51.113 52.037 -0.132 0.000 0.808 116 A CB -0.290 18.734 19.000 0.039 0.000 1.304 116 A HN 0.483 nan 8.150 nan 0.000 0.393 117 W N 2.086 123.385 121.300 -0.002 0.000 2.305 117 W HA -0.156 4.504 4.660 0.000 0.000 0.308 117 W C 2.198 178.591 176.519 -0.209 0.000 1.226 117 W CA 2.206 59.590 57.345 0.065 0.000 1.253 117 W CB -0.054 29.363 29.460 -0.072 0.000 1.146 117 W HN 0.940 nan 8.180 nan 0.000 0.507 118 G N -0.064 108.292 108.800 -0.740 0.000 2.501 118 G HA2 -0.218 3.742 3.960 0.000 0.000 0.220 118 G HA3 -0.218 3.742 3.960 0.000 0.000 0.220 118 G C 1.298 175.489 174.900 -1.182 0.000 1.114 118 G CA 1.347 45.400 45.100 -1.745 0.000 0.757 118 G HN 0.233 nan 8.290 nan 0.000 0.559 119 V N -1.322 118.202 119.914 -0.649 0.000 2.719 119 V HA -0.010 4.110 4.120 0.000 0.000 0.252 119 V C 2.008 177.740 176.094 -0.604 0.000 1.065 119 V CA 1.184 63.188 62.300 -0.492 0.000 1.086 119 V CB -0.434 31.039 31.823 -0.585 0.000 0.700 119 V HN 0.627 nan 8.190 nan 0.000 0.467 120 W N -2.081 119.146 121.300 -0.121 0.000 2.842 120 W HA 0.427 5.087 4.660 0.000 0.000 0.267 120 W C 0.361 176.621 176.519 -0.432 0.000 1.219 120 W CA -0.433 56.740 57.345 -0.286 0.000 1.458 120 W CB 0.262 29.441 29.460 -0.469 0.000 1.006 120 W HN 0.010 nan 8.180 nan 0.000 0.603 121 F N 1.889 122.106 119.950 0.445 0.000 2.551 121 F HA 0.305 4.832 4.527 0.000 0.000 0.316 121 F C 0.301 176.308 175.800 0.344 0.000 1.089 121 F CA -1.627 56.616 58.000 0.405 0.000 0.915 121 F CB 0.833 40.129 39.000 0.494 0.000 1.186 121 F HN -0.274 nan 8.300 nan 0.000 0.456 122 N N 1.760 120.747 118.700 0.478 0.000 2.478 122 N HA 0.507 5.247 4.740 0.000 0.000 0.275 122 N C -2.509 173.185 175.510 0.306 0.000 1.221 122 N CA -2.173 51.108 53.050 0.385 0.000 0.979 122 N CB 0.271 38.960 38.487 0.337 0.000 1.202 122 N HN 0.119 nan 8.380 nan 0.000 0.564 123 P HA -0.089 nan 4.420 nan 0.000 0.215 123 P C 1.344 178.666 177.300 0.037 0.000 1.157 123 P CA 2.277 65.468 63.100 0.152 0.000 0.874 123 P CB -0.229 31.636 31.700 0.275 0.000 0.790 124 G N -0.022 108.819 108.800 0.070 0.000 2.491 124 G HA2 -0.274 3.686 3.960 0.000 0.000 0.218 124 G HA3 -0.274 3.686 3.960 0.000 0.000 0.218 124 G C 1.235 176.154 174.900 0.031 0.000 1.180 124 G CA 1.247 46.359 45.100 0.019 0.000 0.774 124 G HN 0.197 nan 8.290 nan 0.000 0.562 125 D N -0.495 119.999 120.400 0.156 0.000 2.117 125 D HA -0.115 4.525 4.640 0.000 0.000 0.197 125 D C 1.952 178.276 176.300 0.039 0.000 0.987 125 D CA 0.547 54.680 54.000 0.223 0.000 0.829 125 D CB -0.473 40.635 40.800 0.514 0.000 0.961 125 D HN 0.528 nan 8.370 nan 0.000 0.460 126 W N 2.161 123.315 121.300 -0.244 0.000 2.338 126 W HA -0.229 4.431 4.660 0.000 0.000 0.304 126 W C 2.211 178.504 176.519 -0.378 0.000 1.212 126 W CA 1.453 58.496 57.345 -0.502 0.000 1.264 126 W CB -0.052 28.845 29.460 -0.938 0.000 1.142 126 W HN 0.088 nan 8.180 nan 0.000 0.512 127 Q N 0.474 120.150 119.800 -0.206 0.000 2.030 127 Q HA -0.287 4.053 4.340 0.000 0.000 0.204 127 Q C 2.422 178.236 176.000 -0.309 0.000 0.986 127 Q CA 2.142 57.797 55.803 -0.248 0.000 0.843 127 Q CB -0.693 27.935 28.738 -0.184 0.000 0.904 127 Q HN 0.276 nan 8.270 nan 0.000 0.420 128 L N 0.921 121.975 121.223 -0.282 0.000 1.990 128 L HA -0.213 4.127 4.340 0.000 0.000 0.213 128 L C 2.158 178.826 176.870 -0.337 0.000 1.072 128 L CA 1.777 56.428 54.840 -0.315 0.000 0.755 128 L CB -0.588 41.211 42.059 -0.434 0.000 0.889 128 L HN 0.376 nan 8.230 nan 0.000 0.432 129 I N -1.718 118.614 120.570 -0.398 0.000 2.099 129 I HA -0.317 3.853 4.170 0.000 0.000 0.239 129 I C 2.392 178.195 176.117 -0.522 0.000 1.066 129 I CA 1.518 62.545 61.300 -0.455 0.000 1.324 129 I CB -0.569 36.978 38.000 -0.755 0.000 1.037 129 I HN 0.077 nan 8.210 nan 0.000 0.401 130 V N 1.153 120.632 119.914 -0.726 0.000 2.490 130 V HA -0.248 3.873 4.120 0.000 0.000 0.250 130 V C 1.988 177.896 176.094 -0.311 0.000 1.061 130 V CA 1.886 63.842 62.300 -0.573 0.000 1.064 130 V CB -0.737 30.683 31.823 -0.673 0.000 0.670 130 V HN 0.434 nan 8.190 nan 0.000 0.461 131 N N -0.302 118.234 118.700 -0.274 0.000 2.395 131 N HA -0.058 4.682 4.740 0.000 0.000 0.175 131 N C 1.843 177.256 175.510 -0.162 0.000 1.029 131 N CA 1.572 54.510 53.050 -0.187 0.000 0.897 131 N CB 0.078 38.461 38.487 -0.174 0.000 0.991 131 N HN 0.680 nan 8.380 nan 0.000 0.441 132 T N -3.607 110.843 114.554 -0.173 0.000 2.975 132 T HA 0.341 4.691 4.350 0.000 0.000 0.257 132 T C 0.519 175.151 174.700 -0.112 0.000 1.003 132 T CA -0.199 61.821 62.100 -0.133 0.000 0.932 132 T CB 0.368 69.166 68.868 -0.118 0.000 1.087 132 T HN -0.232 nan 8.240 nan 0.000 0.512 133 M N 2.634 122.155 119.600 -0.131 0.000 2.359 133 M HA 0.535 5.015 4.480 0.000 0.000 0.322 133 M C 1.419 177.663 176.300 -0.095 0.000 1.166 133 M CA -0.524 54.714 55.300 -0.104 0.000 1.067 133 M CB 1.931 34.463 32.600 -0.113 0.000 1.523 133 M HN 0.220 nan 8.290 nan 0.000 0.467 134 S N -0.094 115.563 115.700 -0.071 0.000 2.527 134 S HA 0.245 4.715 4.470 0.000 0.000 0.227 134 S C 0.023 174.622 174.600 -0.002 0.000 1.059 134 S CA -0.026 58.149 58.200 -0.043 0.000 0.919 134 S CB 0.019 63.191 63.200 -0.047 0.000 0.805 134 S HN 0.736 nan 8.310 nan 0.000 0.500 135 E N 0.067 120.287 120.200 0.034 0.000 2.390 135 E HA 0.654 5.004 4.350 0.000 0.000 0.277 135 E C -1.903 174.837 176.600 0.233 0.000 0.939 135 E CA -1.154 55.321 56.400 0.126 0.000 0.769 135 E CB 1.448 31.256 29.700 0.180 0.000 1.251 135 E HN 0.190 nan 8.360 nan 0.000 0.450 136 L N 1.959 123.360 121.223 0.297 0.000 2.385 136 L HA 0.439 4.779 4.340 0.000 0.000 0.273 136 L C -1.486 175.727 176.870 0.572 0.000 0.990 136 L CA -0.358 54.742 54.840 0.434 0.000 0.821 136 L CB 1.659 43.928 42.059 0.350 0.000 1.279 136 L HN 0.658 nan 8.230 nan 0.000 0.412 137 H N 4.948 124.263 119.070 0.408 0.000 2.466 137 H HA 0.381 4.937 4.556 0.000 0.000 0.338 137 H C -1.075 174.286 175.328 0.056 0.000 1.091 137 H CA -1.029 55.180 56.048 0.269 0.000 1.207 137 H CB 2.521 32.410 29.762 0.211 0.000 1.466 137 H HN 0.449 nan 8.280 nan 0.000 0.493 138 L N 4.463 125.501 121.223 -0.307 0.000 2.278 138 L HA 0.070 4.410 4.340 0.000 0.000 0.287 138 L C 0.106 176.771 176.870 -0.340 0.000 1.072 138 L CA 0.193 54.573 54.840 -0.767 0.000 0.819 138 L CB 0.612 41.756 42.059 -1.525 0.000 1.176 138 L HN 0.481 nan 8.230 nan 0.000 0.435 139 V N 2.796 122.556 119.914 -0.257 0.000 2.484 139 V HA 0.315 4.435 4.120 0.000 0.000 0.236 139 V C 0.749 176.867 176.094 0.041 0.000 1.062 139 V CA 1.087 63.370 62.300 -0.028 0.000 1.081 139 V CB 0.167 31.981 31.823 -0.015 0.000 0.751 139 V HN 0.896 nan 8.190 nan 0.000 0.484 140 S N -0.879 114.760 115.700 -0.101 0.000 2.625 140 S HA 0.736 5.206 4.470 0.000 0.000 0.271 140 S C -1.495 173.004 174.600 -0.168 0.000 1.161 140 S CA -0.569 57.459 58.200 -0.287 0.000 0.820 140 S CB 2.726 65.506 63.200 -0.699 0.000 1.137 140 S HN 0.313 nan 8.310 nan 0.000 0.470 141 F N 1.203 120.878 119.950 -0.458 0.000 2.605 141 F HA 0.639 5.166 4.527 0.000 0.000 0.320 141 F C -1.433 174.202 175.800 -0.276 0.000 1.159 141 F CA -0.615 57.176 58.000 -0.348 0.000 0.999 141 F CB 1.510 40.289 39.000 -0.367 0.000 1.258 141 F HN 0.987 nan 8.300 nan 0.000 0.464 142 E N 5.311 125.109 120.200 -0.669 0.000 2.367 142 E HA 0.657 5.007 4.350 0.000 0.000 0.273 142 E C -1.993 174.247 176.600 -0.600 0.000 0.903 142 E CA -1.058 54.931 56.400 -0.684 0.000 0.764 142 E CB 2.963 32.427 29.700 -0.393 0.000 1.252 142 E HN 0.699 nan 8.360 nan 0.000 0.446 143 Q N 0.926 120.440 119.800 -0.476 0.000 2.482 143 Q HA 0.507 4.847 4.340 0.000 0.000 0.286 143 Q C -1.465 174.438 176.000 -0.161 0.000 1.007 143 Q CA -1.036 54.605 55.803 -0.270 0.000 0.801 143 Q CB 2.578 31.327 28.738 0.019 0.000 1.455 143 Q HN 0.735 nan 8.270 nan 0.000 0.398 144 E N 1.146 121.263 120.200 -0.139 0.000 2.413 144 E HA 0.664 5.014 4.350 0.000 0.000 0.277 144 E C -1.340 175.410 176.600 0.250 0.000 0.958 144 E CA -1.021 55.405 56.400 0.044 0.000 0.779 144 E CB 2.061 31.735 29.700 -0.044 0.000 1.278 144 E HN 0.569 nan 8.360 nan 0.000 0.456 145 I N 2.477 123.278 120.570 0.384 0.000 2.389 145 I HA 0.488 4.658 4.170 0.000 0.000 0.288 145 I C -1.043 175.344 176.117 0.450 0.000 0.999 145 I CA -0.842 60.703 61.300 0.408 0.000 1.129 145 I CB 0.750 38.856 38.000 0.177 0.000 1.288 145 I HN 0.542 nan 8.210 nan 0.000 0.444 146 F N 3.472 123.597 119.950 0.292 0.000 2.692 146 F HA 0.557 5.084 4.527 0.000 0.000 0.320 146 F C 0.095 176.098 175.800 0.338 0.000 1.123 146 F CA -1.657 56.482 58.000 0.233 0.000 0.961 146 F CB 0.620 39.702 39.000 0.136 0.000 1.383 146 F HN 0.396 nan 8.300 nan 0.000 0.483 147 N N -0.280 118.610 118.700 0.316 0.000 2.738 147 N HA -0.137 4.603 4.740 0.000 0.000 0.249 147 N C -0.955 174.722 175.510 0.278 0.000 1.047 147 N CA 0.645 53.840 53.050 0.242 0.000 0.707 147 N CB -1.071 37.486 38.487 0.117 0.000 0.937 147 N HN 0.596 nan 8.380 nan 0.000 0.545 148 V N 0.103 120.152 119.914 0.226 0.000 2.763 148 V HA 0.243 4.363 4.120 0.000 0.000 0.306 148 V C 0.890 177.074 176.094 0.150 0.000 1.059 148 V CA 0.093 62.514 62.300 0.202 0.000 1.138 148 V CB 1.341 33.242 31.823 0.130 0.000 0.940 148 V HN 0.070 nan 8.190 nan 0.000 0.489 149 V N 5.682 125.669 119.914 0.121 0.000 2.733 149 V HA 0.484 4.604 4.120 0.000 0.000 0.306 149 V C -0.847 175.226 176.094 -0.035 0.000 1.084 149 V CA -0.579 61.748 62.300 0.046 0.000 0.905 149 V CB 1.811 33.662 31.823 0.048 0.000 1.010 149 V HN 0.592 nan 8.190 nan 0.000 0.424 150 L N 4.811 125.990 121.223 -0.073 0.000 2.362 150 L HA 0.670 5.010 4.340 0.000 0.000 0.275 150 L C -0.136 176.607 176.870 -0.213 0.000 0.998 150 L CA -0.089 54.661 54.840 -0.150 0.000 0.820 150 L CB 1.887 43.898 42.059 -0.081 0.000 1.270 150 L HN 0.569 nan 8.230 nan 0.000 0.415 151 K N 0.640 120.783 120.400 -0.428 0.000 2.395 151 K HA 0.874 5.194 4.320 0.000 0.000 0.247 151 K C -0.786 175.699 176.600 -0.193 0.000 0.973 151 K CA -0.896 55.170 56.287 -0.368 0.000 0.828 151 K CB 2.451 34.590 32.500 -0.601 0.000 1.272 151 K HN 0.649 nan 8.250 nan 0.000 0.439 152 T N -2.251 112.325 114.554 0.035 0.000 2.907 152 T HA 0.577 4.927 4.350 0.000 0.000 0.292 152 T C -0.477 174.359 174.700 0.227 0.000 1.043 152 T CA -0.828 61.354 62.100 0.136 0.000 1.003 152 T CB 1.326 70.231 68.868 0.063 0.000 1.084 152 T HN 0.156 nan 8.240 nan 0.000 0.483 153 V N 2.361 122.406 119.914 0.217 0.000 2.547 153 V HA 0.810 4.930 4.120 0.000 0.000 0.299 153 V C 0.112 176.210 176.094 0.007 0.000 1.040 153 V CA -0.765 61.608 62.300 0.122 0.000 0.913 153 V CB 1.510 33.427 31.823 0.155 0.000 0.992 153 V HN 1.242 nan 8.190 nan 0.000 0.449 154 S N 2.655 118.304 115.700 -0.084 0.000 2.619 154 S HA 0.739 5.209 4.470 0.000 0.000 0.280 154 S C -0.897 173.642 174.600 -0.101 0.000 1.150 154 S CA -0.894 57.266 58.200 -0.066 0.000 0.978 154 S CB 1.911 65.084 63.200 -0.046 0.000 1.041 154 S HN 0.877 nan 8.310 nan 0.000 0.485 161 P HA 0.218 nan 4.420 nan 0.000 0.244 161 P C -0.638 176.648 177.300 -0.024 0.000 1.723 161 P CA 0.046 63.134 63.100 -0.020 0.000 1.110 161 P CB -0.203 31.488 31.700 -0.015 0.000 1.972 162 T N -0.812 113.721 114.554 -0.035 0.000 2.815 162 T HA 0.427 4.777 4.350 0.000 0.000 0.289 162 T C -0.073 174.574 174.700 -0.089 0.000 1.000 162 T CA -1.099 60.974 62.100 -0.046 0.000 0.958 162 T CB 1.440 70.286 68.868 -0.036 0.000 0.944 162 T HN -0.026 nan 8.240 nan 0.000 0.442 163 K N 1.989 122.312 120.400 -0.129 0.000 2.126 163 K HA 0.689 5.009 4.320 0.000 0.000 0.257 163 K C -0.733 175.607 176.600 -0.433 0.000 1.007 163 K CA -0.924 55.192 56.287 -0.285 0.000 0.928 163 K CB 1.429 33.729 32.500 -0.334 0.000 1.013 163 K HN 0.426 nan 8.250 nan 0.000 0.473 164 V N 2.508 122.083 119.914 -0.565 0.000 2.686 164 V HA 0.280 4.400 4.120 0.000 0.000 0.306 164 V C -1.597 174.166 176.094 -0.551 0.000 1.065 164 V CA -0.964 61.066 62.300 -0.450 0.000 0.894 164 V CB 1.271 32.987 31.823 -0.178 0.000 1.004 164 V HN 0.575 nan 8.190 nan 0.000 0.424 165 Y N 2.879 123.224 120.300 0.074 0.000 2.335 165 Y HA 0.637 5.187 4.550 0.000 0.000 0.338 165 Y C 0.251 176.193 175.900 0.069 0.000 0.977 165 Y CA -0.737 57.429 58.100 0.110 0.000 1.114 165 Y CB 1.449 40.010 38.460 0.168 0.000 1.182 165 Y HN 0.666 nan 8.280 nan 0.000 0.463 166 N N 1.330 120.133 118.700 0.171 0.000 2.380 166 N HA 0.401 5.141 4.740 0.000 0.000 0.290 166 N C -1.493 174.047 175.510 0.050 0.000 1.236 166 N CA -1.204 51.900 53.050 0.090 0.000 0.780 166 N CB 1.003 39.520 38.487 0.051 0.000 1.438 166 N HN 0.459 nan 8.380 nan 0.000 0.491 167 N N 0.593 119.309 118.700 0.027 0.000 2.455 167 N HA 0.102 4.842 4.740 0.000 0.000 0.280 167 N C -1.318 174.190 175.510 -0.003 0.000 1.055 167 N CA -0.066 52.982 53.050 -0.002 0.000 0.961 167 N CB 1.110 39.602 38.487 0.009 0.000 1.121 167 N HN 0.530 nan 8.380 nan 0.000 0.476 168 D N 3.368 123.756 120.400 -0.020 0.000 2.493 168 D HA 0.171 4.811 4.640 0.000 0.000 0.235 168 D C 1.344 177.639 176.300 -0.009 0.000 1.117 168 D CA -0.402 53.591 54.000 -0.012 0.000 0.930 168 D CB 0.616 41.404 40.800 -0.018 0.000 1.010 168 D HN 0.412 nan 8.370 nan 0.000 0.514 169 L N 1.839 123.063 121.223 0.001 0.000 2.129 169 L HA -0.198 4.142 4.340 0.000 0.000 0.212 169 L C 2.481 179.356 176.870 0.008 0.000 1.087 169 L CA 1.597 56.442 54.840 0.008 0.000 0.757 169 L CB -0.784 41.283 42.059 0.014 0.000 0.896 169 L HN 0.375 nan 8.230 nan 0.000 0.434 170 T N -2.787 111.770 114.554 0.003 0.000 3.067 170 T HA 0.317 4.667 4.350 0.000 0.000 0.257 170 T C 0.958 175.656 174.700 -0.004 0.000 1.105 170 T CA 0.208 62.310 62.100 0.003 0.000 1.104 170 T CB -0.173 68.695 68.868 0.002 0.000 0.925 170 T HN 0.240 nan 8.240 nan 0.000 0.498 171 A N 1.532 124.346 122.820 -0.011 0.000 2.445 171 A HA 0.571 4.891 4.320 0.000 0.000 0.242 171 A C 0.357 177.931 177.584 -0.016 0.000 1.075 171 A CA -0.474 51.551 52.037 -0.020 0.000 0.777 171 A CB 0.173 19.155 19.000 -0.029 0.000 1.013 171 A HN 0.474 nan 8.150 nan 0.000 0.493 172 S N 0.043 115.729 115.700 -0.023 0.000 2.568 172 S HA 0.589 5.059 4.470 0.000 0.000 0.302 172 S C -0.819 173.762 174.600 -0.032 0.000 1.082 172 S CA -0.558 57.632 58.200 -0.016 0.000 1.009 172 S CB 1.493 64.688 63.200 -0.008 0.000 1.069 172 S HN 0.853 nan 8.310 nan 0.000 0.500 173 L N 2.666 123.873 121.223 -0.027 0.000 2.280 173 L HA 0.573 4.913 4.340 0.000 0.000 0.287 173 L C -0.851 175.989 176.870 -0.051 0.000 1.023 173 L CA -0.319 54.489 54.840 -0.053 0.000 0.819 173 L CB 0.538 42.559 42.059 -0.063 0.000 1.212 173 L HN 0.676 nan 8.230 nan 0.000 0.420 174 M N 5.418 124.981 119.600 -0.061 0.000 2.180 174 M HA 0.454 4.934 4.480 0.000 0.000 0.358 174 M C -0.830 175.535 176.300 0.109 0.000 1.233 174 M CA -0.386 54.929 55.300 0.026 0.000 1.114 174 M CB 1.350 33.938 32.600 -0.020 0.000 1.594 174 M HN 0.355 nan 8.290 nan 0.000 0.467 175 V N 2.657 122.624 119.914 0.089 0.000 2.540 175 V HA 0.831 4.951 4.120 0.000 0.000 0.302 175 V C -0.477 175.609 176.094 -0.013 0.000 1.035 175 V CA -0.776 61.484 62.300 -0.067 0.000 0.873 175 V CB 1.719 33.248 31.823 -0.490 0.000 0.992 175 V HN 0.932 nan 8.190 nan 0.000 0.428 176 A N 4.739 127.550 122.820 -0.015 0.000 2.359 176 A HA 0.859 5.179 4.320 0.000 0.000 0.303 176 A C -1.364 176.196 177.584 -0.040 0.000 1.066 176 A CA -0.499 51.510 52.037 -0.048 0.000 0.730 176 A CB 1.445 20.282 19.000 -0.271 0.000 1.211 176 A HN 0.880 nan 8.150 nan 0.000 0.439 177 L N 2.383 123.620 121.223 0.023 0.000 2.301 177 L HA 0.491 4.831 4.340 0.000 0.000 0.278 177 L C -0.302 176.603 176.870 0.058 0.000 1.022 177 L CA -0.191 54.679 54.840 0.050 0.000 0.854 177 L CB 1.224 43.414 42.059 0.218 0.000 1.226 177 L HN 0.680 nan 8.230 nan 0.000 0.429 178 D N 1.729 122.149 120.400 0.032 0.000 2.671 178 D HA 0.013 4.653 4.640 0.000 0.000 0.228 178 D C 1.328 177.647 176.300 0.031 0.000 1.102 178 D CA 0.745 54.768 54.000 0.038 0.000 1.044 178 D CB 0.457 41.312 40.800 0.093 0.000 1.113 178 D HN 0.646 nan 8.370 nan 0.000 0.480 179 S N 1.775 117.502 115.700 0.045 0.000 2.399 179 S HA -0.197 4.273 4.470 0.000 0.000 0.231 179 S C 1.691 176.324 174.600 0.055 0.000 1.022 179 S CA 0.529 58.762 58.200 0.054 0.000 0.983 179 S CB -0.189 63.052 63.200 0.068 0.000 0.803 179 S HN 0.438 nan 8.310 nan 0.000 0.480 180 N N 1.811 120.535 118.700 0.039 0.000 2.459 180 N HA -0.005 4.735 4.740 0.000 0.000 0.181 180 N C -0.268 175.259 175.510 0.028 0.000 1.046 180 N CA 0.519 53.589 53.050 0.033 0.000 0.904 180 N CB -0.432 38.066 38.487 0.020 0.000 0.964 180 N HN 0.383 nan 8.380 nan 0.000 0.444 181 N N 0.085 118.800 118.700 0.025 0.000 2.771 181 N HA -0.118 4.622 4.740 0.000 0.000 0.249 181 N C 0.254 175.753 175.510 -0.019 0.000 1.069 181 N CA 0.580 53.646 53.050 0.028 0.000 0.688 181 N CB -1.169 37.345 38.487 0.045 0.000 0.928 181 N HN 0.219 nan 8.380 nan 0.000 0.551 182 T N -1.038 113.471 114.554 -0.074 0.000 2.939 182 T HA 0.122 4.472 4.350 0.000 0.000 0.254 182 T C 1.315 175.753 174.700 -0.437 0.000 1.041 182 T CA 0.265 62.261 62.100 -0.173 0.000 1.142 182 T CB 0.186 68.972 68.868 -0.136 0.000 0.874 182 T HN 0.178 nan 8.240 nan 0.000 0.452 183 M N 2.781 122.175 119.600 -0.344 0.000 2.252 183 M HA 0.210 4.690 4.480 0.000 0.000 0.333 183 M C -2.303 173.905 176.300 -0.153 0.000 1.111 183 M CA -3.051 52.027 55.300 -0.369 0.000 1.140 183 M CB -0.616 31.902 32.600 -0.137 0.000 1.538 183 M HN -0.015 nan 8.290 nan 0.000 0.448 184 P HA 0.049 nan 4.420 nan 0.000 0.269 184 P C -0.605 176.912 177.300 0.362 0.000 1.209 184 P CA -0.221 62.952 63.100 0.122 0.000 0.776 184 P CB 0.285 32.065 31.700 0.132 0.000 0.876 185 F N 3.289 123.349 119.950 0.184 0.000 2.506 185 F HA 0.189 4.716 4.527 0.000 0.000 0.371 185 F C 0.687 176.644 175.800 0.262 0.000 1.078 185 F CA 0.607 58.734 58.000 0.211 0.000 1.195 185 F CB 0.199 39.308 39.000 0.182 0.000 1.099 185 F HN 0.242 nan 8.300 nan 0.000 0.548 186 T N 5.350 119.825 114.554 -0.131 0.000 3.410 186 T HA 0.341 4.691 4.350 0.000 0.000 0.328 186 T C -2.847 171.699 174.700 -0.257 0.000 1.567 186 T CA -1.801 60.278 62.100 -0.036 0.000 1.626 186 T CB 0.213 69.269 68.868 0.312 0.000 0.939 186 T HN 0.367 nan 8.240 nan 0.000 0.656 187 P HA 0.197 nan 4.420 nan 0.000 0.262 187 P C 1.055 178.246 177.300 -0.181 0.000 1.199 187 P CA -0.067 62.790 63.100 -0.405 0.000 0.763 187 P CB 0.866 32.381 31.700 -0.308 0.000 0.790 188 A N 4.602 127.328 122.820 -0.157 0.000 2.067 188 A HA -0.022 4.298 4.320 0.000 0.000 0.219 188 A C 2.221 179.743 177.584 -0.103 0.000 1.158 188 A CA 1.459 53.438 52.037 -0.096 0.000 0.661 188 A CB -1.020 17.931 19.000 -0.081 0.000 0.801 188 A HN 0.549 nan 8.150 nan 0.000 0.452 189 A N -0.302 122.447 122.820 -0.118 0.000 1.978 189 A HA -0.206 4.114 4.320 0.000 0.000 0.220 189 A C 2.153 179.712 177.584 -0.041 0.000 1.170 189 A CA 1.794 53.779 52.037 -0.086 0.000 0.636 189 A CB -0.575 18.383 19.000 -0.069 0.000 0.810 189 A HN 0.633 nan 8.150 nan 0.000 0.448 190 M N -0.793 118.785 119.600 -0.036 0.000 2.358 190 M HA -0.106 4.374 4.480 0.000 0.000 0.264 190 M C 0.807 177.083 176.300 -0.039 0.000 1.064 190 M CA 1.409 56.694 55.300 -0.025 0.000 1.093 190 M CB -0.027 32.570 32.600 -0.005 0.000 1.401 190 M HN 0.349 nan 8.290 nan 0.000 0.440 191 R N -0.871 119.599 120.500 -0.049 0.000 2.629 191 R HA 0.177 4.517 4.340 0.000 0.000 0.408 191 R C 0.492 176.749 176.300 -0.072 0.000 1.057 191 R CA 0.158 56.229 56.100 -0.049 0.000 1.119 191 R CB 0.339 30.615 30.300 -0.040 0.000 1.403 191 R HN 0.318 nan 8.270 nan 0.000 0.576 192 S N 1.725 117.355 115.700 -0.117 0.000 3.524 192 S HA -0.181 4.289 4.470 0.000 0.000 0.377 192 S C 0.149 174.557 174.600 -0.320 0.000 0.949 192 S CA 0.901 58.932 58.200 -0.282 0.000 1.264 192 S CB -0.872 62.233 63.200 -0.158 0.000 0.918 192 S HN 0.604 nan 8.310 nan 0.000 0.517 193 E N 0.852 120.926 120.200 -0.210 0.000 3.157 193 E HA 0.132 4.482 4.350 0.000 0.000 0.203 193 E C 0.782 177.353 176.600 -0.048 0.000 0.982 193 E CA 0.260 56.615 56.400 -0.076 0.000 1.217 193 E CB 0.745 30.426 29.700 -0.031 0.000 1.123 193 E HN 0.778 nan 8.360 nan 0.000 0.457 194 T N -2.469 112.042 114.554 -0.071 0.000 2.865 194 T HA 0.415 4.765 4.350 0.000 0.000 0.302 194 T C 0.740 175.482 174.700 0.070 0.000 1.078 194 T CA -0.727 61.362 62.100 -0.018 0.000 0.942 194 T CB 0.690 69.553 68.868 -0.008 0.000 1.387 194 T HN -0.038 nan 8.240 nan 0.000 0.557 195 L N 0.493 121.686 121.223 -0.049 0.000 2.475 195 L HA 0.505 4.845 4.340 0.000 0.000 0.253 195 L C 1.529 178.352 176.870 -0.078 0.000 1.198 195 L CA -0.915 53.839 54.840 -0.143 0.000 0.814 195 L CB -0.037 41.802 42.059 -0.367 0.000 1.134 195 L HN 0.978 nan 8.230 nan 0.000 0.478 196 G N -0.513 108.177 108.800 -0.183 0.000 2.554 196 G HA2 0.088 4.048 3.960 0.000 0.000 0.238 196 G HA3 0.088 4.048 3.960 0.000 0.000 0.238 196 G C 0.149 175.074 174.900 0.042 0.000 1.259 196 G CA -0.328 44.631 45.100 -0.235 0.000 0.843 196 G HN 0.443 nan 8.290 nan 0.000 0.582 197 F N -0.257 119.486 119.950 -0.345 0.000 2.765 197 F HA 0.266 4.793 4.527 0.000 0.000 0.302 197 F C 0.130 175.564 175.800 -0.610 0.000 1.111 197 F CA -0.866 56.851 58.000 -0.472 0.000 1.359 197 F CB -0.571 38.075 39.000 -0.590 0.000 1.097 197 F HN 0.260 nan 8.300 nan 0.000 0.577 198 Y N 1.147 121.349 120.300 -0.163 0.000 2.341 198 Y HA 0.356 4.906 4.550 0.000 0.000 0.338 198 Y C -1.441 174.224 175.900 -0.392 0.000 0.965 198 Y CA -3.046 54.749 58.100 -0.507 0.000 1.108 198 Y CB 0.675 38.575 38.460 -0.933 0.000 1.180 198 Y HN -0.268 nan 8.280 nan 0.000 0.458 199 P HA -0.132 nan 4.420 nan 0.000 0.221 199 P C 0.352 177.898 177.300 0.411 0.000 1.150 199 P CA 1.354 64.619 63.100 0.275 0.000 0.800 199 P CB 0.023 32.004 31.700 0.467 0.000 0.787 200 W N 0.593 122.069 121.300 0.294 0.000 3.269 200 W HA 0.498 5.158 4.660 0.000 0.000 0.413 200 W C 0.065 176.645 176.519 0.101 0.000 1.057 200 W CA -0.933 56.520 57.345 0.181 0.000 1.953 200 W CB -0.374 29.164 29.460 0.130 0.000 1.053 200 W HN -0.204 nan 8.180 nan 0.000 0.753 201 K N 2.088 122.449 120.400 -0.066 0.000 2.579 201 K HA 0.356 4.676 4.320 0.000 0.000 0.250 201 K C -2.627 173.921 176.600 -0.087 0.000 0.952 201 K CA -1.956 54.267 56.287 -0.106 0.000 0.857 201 K CB 1.481 33.837 32.500 -0.239 0.000 1.123 201 K HN -0.273 nan 8.250 nan 0.000 0.433 202 P HA -0.048 nan 4.420 nan 0.000 0.266 202 P C -0.656 176.548 177.300 -0.160 0.000 1.186 202 P CA -0.008 62.996 63.100 -0.160 0.000 0.767 202 P CB 0.928 32.514 31.700 -0.188 0.000 0.820 203 T N 0.934 115.381 114.554 -0.179 0.000 2.693 203 T HA 0.822 5.172 4.350 0.000 0.000 0.278 203 T C -1.063 173.539 174.700 -0.163 0.000 0.994 203 T CA -0.817 61.181 62.100 -0.171 0.000 1.033 203 T CB 0.528 69.288 68.868 -0.180 0.000 1.342 203 T HN 0.366 nan 8.240 nan 0.000 0.538 204 I N -0.350 120.136 120.570 -0.139 0.000 2.913 204 I HA 0.725 4.895 4.170 0.000 0.000 0.302 204 I C -3.001 173.067 176.117 -0.081 0.000 1.246 204 I CA -2.634 58.606 61.300 -0.100 0.000 1.010 204 I CB 2.571 40.550 38.000 -0.035 0.000 1.259 204 I HN 0.417 nan 8.210 nan 0.000 0.434 205 P HA 0.316 nan 4.420 nan 0.000 0.280 205 P C -0.730 176.592 177.300 0.036 0.000 1.272 205 P CA -0.135 62.967 63.100 0.003 0.000 0.819 205 P CB 1.373 33.117 31.700 0.074 0.000 1.122 206 T N -3.253 111.341 114.554 0.067 0.000 2.895 206 T HA 0.480 4.830 4.350 0.000 0.000 0.283 206 T C -2.735 172.062 174.700 0.161 0.000 1.014 206 T CA -2.694 59.460 62.100 0.089 0.000 1.037 206 T CB 0.518 69.431 68.868 0.074 0.000 1.006 206 T HN 0.128 nan 8.240 nan 0.000 0.468 207 P HA 0.072 nan 4.420 nan 0.000 0.262 207 P C -0.944 176.507 177.300 0.252 0.000 1.199 207 P CA -0.283 62.917 63.100 0.167 0.000 0.763 207 P CB 0.144 31.890 31.700 0.076 0.000 0.790 208 W N 7.126 128.523 121.300 0.162 0.000 2.218 208 W HA 0.312 4.972 4.660 0.000 0.000 0.326 208 W C 0.200 176.811 176.519 0.153 0.000 1.276 208 W CA 0.216 57.683 57.345 0.203 0.000 1.210 208 W CB 0.517 30.180 29.460 0.339 0.000 1.143 208 W HN 0.335 nan 8.180 nan 0.000 0.563 209 R N 5.382 125.501 120.500 -0.634 0.000 2.663 209 R HA 0.424 4.764 4.340 0.000 0.000 0.267 209 R C -2.158 173.708 176.300 -0.723 0.000 1.038 209 R CA -0.792 54.913 56.100 -0.659 0.000 0.886 209 R CB 0.957 31.054 30.300 -0.338 0.000 1.249 209 R HN 0.706 nan 8.270 nan 0.000 0.463 210 Y N -1.377 118.568 120.300 -0.592 0.000 2.588 210 Y HA 0.624 5.174 4.550 0.000 0.000 0.343 210 Y C -1.221 174.613 175.900 -0.109 0.000 1.065 210 Y CA -1.712 56.170 58.100 -0.363 0.000 1.038 210 Y CB 0.759 39.057 38.460 -0.270 0.000 1.297 210 Y HN 0.421 nan 8.280 nan 0.000 0.467 211 Y N 2.054 122.547 120.300 0.322 0.000 2.511 211 Y HA 0.235 4.785 4.550 0.000 0.000 0.332 211 Y C -0.398 175.794 175.900 0.486 0.000 1.177 211 Y CA -0.071 58.253 58.100 0.373 0.000 1.422 211 Y CB 0.239 38.931 38.460 0.386 0.000 1.271 211 Y HN 0.627 nan 8.280 nan 0.000 0.550 212 F N 3.985 124.226 119.950 0.486 0.000 2.458 212 F HA 0.296 4.823 4.527 0.000 0.000 0.336 212 F C -0.001 176.107 175.800 0.514 0.000 1.114 212 F CA -1.116 57.114 58.000 0.384 0.000 0.987 212 F CB 0.910 40.030 39.000 0.201 0.000 1.130 212 F HN 0.381 nan 8.300 nan 0.000 0.458 213 Q N 5.419 125.172 119.800 -0.078 0.000 2.333 213 Q HA 0.066 4.406 4.340 0.000 0.000 0.299 213 Q C -1.392 174.777 176.000 0.282 0.000 1.067 213 Q CA 0.629 56.430 55.803 -0.003 0.000 0.943 213 Q CB 0.685 29.283 28.738 -0.233 0.000 1.233 213 Q HN 0.774 nan 8.270 nan 0.000 0.401 214 W N 3.073 124.413 121.300 0.067 0.000 3.571 214 W HA 0.441 5.101 4.660 0.000 0.000 0.294 214 W C -1.785 174.756 176.519 0.037 0.000 1.257 214 W CA -0.848 56.561 57.345 0.106 0.000 1.206 214 W CB 0.679 30.345 29.460 0.342 0.000 1.325 214 W HN 0.338 nan 8.180 nan 0.000 0.546 215 D N 2.453 122.821 120.400 -0.054 0.000 2.193 215 D HA 0.617 5.257 4.640 0.000 0.000 0.249 215 D C -0.658 175.746 176.300 0.172 0.000 1.034 215 D CA -0.547 53.405 54.000 -0.079 0.000 0.902 215 D CB 1.978 42.747 40.800 -0.050 0.000 1.182 215 D HN 0.565 nan 8.370 nan 0.000 0.436 216 R N -0.654 119.994 120.500 0.246 0.000 2.579 216 R HA 0.408 4.748 4.340 0.000 0.000 0.260 216 R C -1.920 174.548 176.300 0.280 0.000 1.103 216 R CA -0.475 55.831 56.100 0.342 0.000 0.942 216 R CB 0.644 31.277 30.300 0.556 0.000 1.251 216 R HN 0.244 nan 8.270 nan 0.000 0.450 217 T N 4.103 118.779 114.554 0.204 0.000 2.885 217 T HA 0.725 5.075 4.350 0.000 0.000 0.285 217 T C -1.426 173.333 174.700 0.099 0.000 1.019 217 T CA -0.593 61.612 62.100 0.176 0.000 1.010 217 T CB 1.310 70.335 68.868 0.262 0.000 1.022 217 T HN 0.555 nan 8.240 nan 0.000 0.466 218 L N 3.727 125.001 121.223 0.085 0.000 2.661 218 L HA 0.491 4.831 4.340 0.000 0.000 0.263 218 L C -1.752 175.137 176.870 0.032 0.000 0.956 218 L CA -0.604 54.267 54.840 0.051 0.000 0.918 218 L CB 1.051 43.145 42.059 0.059 0.000 1.280 218 L HN 0.505 nan 8.230 nan 0.000 0.416 219 I N 6.826 127.406 120.570 0.016 0.000 2.371 219 I HA 0.368 4.538 4.170 0.000 0.000 0.290 219 I C -1.750 174.357 176.117 -0.017 0.000 1.028 219 I CA -1.612 59.690 61.300 0.004 0.000 1.345 219 I CB 1.014 39.015 38.000 0.002 0.000 1.407 219 I HN 0.511 nan 8.210 nan 0.000 0.501 220 P HA 0.175 nan 4.420 nan 0.000 0.270 220 P C -0.524 176.751 177.300 -0.041 0.000 1.223 220 P CA 0.021 63.098 63.100 -0.039 0.000 0.785 220 P CB 1.080 32.760 31.700 -0.033 0.000 0.923 221 S N 0.022 115.691 115.700 -0.052 0.000 2.672 221 S HA 0.672 5.142 4.470 0.000 0.000 0.271 221 S C -1.004 173.568 174.600 -0.046 0.000 1.171 221 S CA -0.811 57.331 58.200 -0.098 0.000 0.817 221 S CB 1.352 64.472 63.200 -0.134 0.000 1.150 221 S HN 0.871 nan 8.310 nan 0.000 0.478 222 H N -2.712 116.342 119.070 -0.026 0.000 2.949 222 H HA 0.690 5.246 4.556 0.000 0.000 0.356 222 H C 0.975 176.291 175.328 -0.020 0.000 1.212 222 H CA -0.295 55.738 56.048 -0.025 0.000 1.136 222 H CB 0.202 29.952 29.762 -0.020 0.000 1.869 222 H HN 0.386 nan 8.280 nan 0.000 0.556 223 T N 0.822 115.491 114.554 0.192 0.000 2.635 223 T HA -0.232 4.118 4.350 0.000 0.000 0.265 223 T C 1.801 176.564 174.700 0.106 0.000 1.058 223 T CA 2.598 64.769 62.100 0.117 0.000 1.162 223 T CB -0.874 68.056 68.868 0.104 0.000 0.859 223 T HN 0.879 nan 8.240 nan 0.000 0.449 224 G N 0.765 109.740 108.800 0.291 0.000 3.314 224 G HA2 0.195 4.155 3.960 0.000 0.000 0.238 224 G HA3 0.195 4.155 3.960 0.000 0.000 0.238 224 G C 0.282 175.162 174.900 -0.034 0.000 1.184 224 G CA -0.201 44.996 45.100 0.163 0.000 0.806 224 G HN 0.390 nan 8.290 nan 0.000 0.536 225 T N 1.813 116.128 114.554 -0.398 0.000 2.853 225 T HA 0.342 4.692 4.350 0.000 0.000 0.298 225 T C 0.856 175.459 174.700 -0.161 0.000 0.978 225 T CA -0.017 61.837 62.100 -0.410 0.000 1.152 225 T CB 1.030 69.601 68.868 -0.495 0.000 0.914 225 T HN 0.350 nan 8.240 nan 0.000 0.539 226 S N 2.758 118.400 115.700 -0.097 0.000 2.584 226 S HA 0.710 5.180 4.470 0.000 0.000 0.273 226 S C 0.758 175.328 174.600 -0.050 0.000 1.311 226 S CA -0.128 58.041 58.200 -0.052 0.000 1.034 226 S CB 0.879 64.064 63.200 -0.025 0.000 0.939 226 S HN 1.391 nan 8.310 nan 0.000 0.513 227 G N 1.355 110.133 108.800 -0.037 0.000 2.725 227 G HA2 -0.072 3.888 3.960 0.000 0.000 0.220 227 G HA3 -0.072 3.888 3.960 0.000 0.000 0.220 227 G C -0.485 174.393 174.900 -0.037 0.000 1.357 227 G CA -0.413 44.668 45.100 -0.031 0.000 0.866 227 G HN 1.186 nan 8.290 nan 0.000 0.548 228 T N 3.451 117.988 114.554 -0.029 0.000 2.788 228 T HA 0.619 4.969 4.350 0.000 0.000 0.296 228 T C -1.640 173.044 174.700 -0.027 0.000 1.009 228 T CA -0.278 61.804 62.100 -0.028 0.000 0.949 228 T CB 1.494 70.350 68.868 -0.021 0.000 0.946 228 T HN 0.728 nan 8.240 nan 0.000 0.453 229 P HA 0.188 nan 4.420 nan 0.000 0.276 229 P C -0.091 177.200 177.300 -0.016 0.000 1.230 229 P CA -0.507 62.576 63.100 -0.028 0.000 0.776 229 P CB 0.340 32.015 31.700 -0.042 0.000 0.888 230 T N 0.481 115.032 114.554 -0.005 0.000 2.866 230 T HA 0.055 4.405 4.350 0.000 0.000 0.293 230 T C 0.293 174.995 174.700 0.003 0.000 1.005 230 T CA -0.383 61.719 62.100 0.003 0.000 1.162 230 T CB -0.390 68.491 68.868 0.021 0.000 0.968 230 T HN 0.565 nan 8.240 nan 0.000 0.530 231 N N 3.234 121.930 118.700 -0.007 0.000 2.710 231 N HA 0.357 5.097 4.740 0.000 0.000 0.244 231 N C -0.879 174.620 175.510 -0.018 0.000 1.321 231 N CA -0.821 52.228 53.050 -0.003 0.000 0.758 231 N CB 0.397 38.882 38.487 -0.004 0.000 1.284 231 N HN 0.876 nan 8.380 nan 0.000 0.530 232 I N -1.533 119.002 120.570 -0.058 0.000 2.865 232 I HA 0.580 4.750 4.170 0.000 0.000 0.302 232 I C -1.476 174.555 176.117 -0.145 0.000 1.140 232 I CA -1.246 59.985 61.300 -0.115 0.000 1.021 232 I CB 2.007 39.879 38.000 -0.213 0.000 1.233 232 I HN 0.242 nan 8.210 nan 0.000 0.427 233 Y N 4.638 124.841 120.300 -0.163 0.000 2.518 233 Y HA 0.393 4.943 4.550 0.000 0.000 0.344 233 Y C 0.921 176.781 175.900 -0.067 0.000 0.982 233 Y CA -0.165 57.907 58.100 -0.047 0.000 1.234 233 Y CB 0.308 38.766 38.460 -0.003 0.000 1.114 233 Y HN 0.538 nan 8.280 nan 0.000 0.515 234 H N 3.912 122.822 119.070 -0.266 0.000 2.389 234 H HA 0.107 4.663 4.556 0.000 0.000 0.299 234 H C 1.364 176.465 175.328 -0.378 0.000 1.081 234 H CA 1.440 57.340 56.048 -0.247 0.000 1.345 234 H CB 0.053 29.727 29.762 -0.146 0.000 1.393 234 H HN 0.902 nan 8.280 nan 0.000 0.520 235 G N -0.572 107.860 108.800 -0.613 0.000 2.225 235 G HA2 -0.112 3.848 3.960 0.000 0.000 0.203 235 G HA3 -0.112 3.848 3.960 0.000 0.000 0.203 235 G C -1.041 173.792 174.900 -0.111 0.000 1.335 235 G CA -0.176 44.694 45.100 -0.383 0.000 1.183 235 G HN 0.253 nan 8.290 nan 0.000 0.488 236 T N 0.897 115.473 114.554 0.037 0.000 2.861 236 T HA 0.561 4.911 4.350 0.000 0.000 0.287 236 T C -1.448 173.262 174.700 0.016 0.000 1.003 236 T CA -0.332 61.820 62.100 0.086 0.000 0.977 236 T CB 1.993 70.994 68.868 0.222 0.000 0.996 236 T HN 0.619 nan 8.240 nan 0.000 0.448 237 D N 3.791 124.171 120.400 -0.033 0.000 2.339 237 D HA 0.225 4.865 4.640 0.000 0.000 0.241 237 D C -0.999 175.273 176.300 -0.046 0.000 1.183 237 D CA -2.339 51.631 54.000 -0.050 0.000 0.859 237 D CB 1.349 42.101 40.800 -0.080 0.000 1.067 237 D HN 0.102 nan 8.370 nan 0.000 0.484 238 P HA -0.168 nan 4.420 nan 0.000 0.217 238 P C 0.463 177.744 177.300 -0.033 0.000 1.148 238 P CA 0.910 64.004 63.100 -0.010 0.000 0.828 238 P CB 0.433 32.136 31.700 0.006 0.000 0.783 239 D N 0.002 120.378 120.400 -0.040 0.000 2.351 239 D HA -0.095 4.545 4.640 0.000 0.000 0.216 239 D C 0.708 176.971 176.300 -0.063 0.000 0.968 239 D CA 0.987 54.961 54.000 -0.044 0.000 0.899 239 D CB -0.253 40.522 40.800 -0.042 0.000 0.907 239 D HN 0.315 nan 8.370 nan 0.000 0.514 240 D N -0.009 120.337 120.400 -0.090 0.000 2.479 240 D HA 0.062 4.702 4.640 0.000 0.000 0.218 240 D C 0.118 176.312 176.300 -0.177 0.000 1.177 240 D CA -0.100 53.829 54.000 -0.118 0.000 0.830 240 D CB 1.324 42.044 40.800 -0.134 0.000 1.014 240 D HN -0.044 nan 8.370 nan 0.000 0.503 241 V N 1.599 121.414 119.914 -0.166 0.000 2.479 241 V HA 0.077 4.197 4.120 0.000 0.000 0.281 241 V C 0.350 176.359 176.094 -0.142 0.000 1.031 241 V CA 0.334 62.496 62.300 -0.229 0.000 1.038 241 V CB 0.875 32.662 31.823 -0.059 0.000 0.981 241 V HN -0.002 nan 8.190 nan 0.000 0.478 242 Q N 4.525 124.227 119.800 -0.163 0.000 2.533 242 Q HA 0.339 4.679 4.340 0.000 0.000 0.251 242 Q C -1.280 174.753 176.000 0.054 0.000 0.966 242 Q CA -0.468 55.238 55.803 -0.163 0.000 0.714 242 Q CB 1.880 30.476 28.738 -0.236 0.000 1.284 242 Q HN 0.715 nan 8.270 nan 0.000 0.478 243 F N 3.621 123.542 119.950 -0.049 0.000 2.334 243 F HA 0.402 4.929 4.527 0.000 0.000 0.367 243 F C -1.536 174.241 175.800 -0.040 0.000 1.115 243 F CA -0.957 57.123 58.000 0.134 0.000 1.116 243 F CB 0.182 39.272 39.000 0.150 0.000 1.230 243 F HN 0.317 nan 8.300 nan 0.000 0.484 244 Y N 2.610 122.903 120.300 -0.012 0.000 2.352 244 Y HA 0.546 5.096 4.550 0.000 0.000 0.326 244 Y C 0.615 176.218 175.900 -0.494 0.000 1.166 244 Y CA -0.602 57.321 58.100 -0.296 0.000 1.182 244 Y CB 1.762 40.070 38.460 -0.253 0.000 1.216 244 Y HN 0.600 nan 8.280 nan 0.000 0.474 245 T N -0.087 114.269 114.554 -0.330 0.000 2.916 245 T HA 0.387 4.737 4.350 0.000 0.000 0.298 245 T C 0.543 175.162 174.700 -0.135 0.000 1.031 245 T CA -0.779 61.084 62.100 -0.396 0.000 0.993 245 T CB 0.996 69.489 68.868 -0.625 0.000 1.045 245 T HN 0.411 nan 8.240 nan 0.000 0.454 246 I N 1.560 122.078 120.570 -0.087 0.000 2.163 246 I HA -0.129 4.041 4.170 0.000 0.000 0.243 246 I C 2.397 178.394 176.117 -0.200 0.000 1.085 246 I CA 1.559 62.610 61.300 -0.414 0.000 1.347 246 I CB -1.340 35.917 38.000 -1.238 0.000 1.044 246 I HN 0.764 nan 8.210 nan 0.000 0.408 247 E N 1.073 121.289 120.200 0.027 0.000 2.114 247 E HA -0.236 4.114 4.350 0.000 0.000 0.199 247 E C 1.754 178.360 176.600 0.011 0.000 1.008 247 E CA 1.631 58.085 56.400 0.090 0.000 0.810 247 E CB -0.504 29.320 29.700 0.207 0.000 0.739 247 E HN 0.545 nan 8.360 nan 0.000 0.456 248 N N -1.178 117.503 118.700 -0.031 0.000 2.398 248 N HA 0.080 4.820 4.740 0.000 0.000 0.188 248 N C 0.474 175.959 175.510 -0.041 0.000 1.122 248 N CA 0.477 53.503 53.050 -0.040 0.000 0.866 248 N CB 0.602 39.046 38.487 -0.073 0.000 0.970 248 N HN -0.071 nan 8.380 nan 0.000 0.462 249 S N -1.008 114.655 115.700 -0.061 0.000 2.628 249 S HA 0.256 4.726 4.470 0.000 0.000 0.246 249 S C 0.016 174.579 174.600 -0.060 0.000 1.062 249 S CA -0.315 57.854 58.200 -0.051 0.000 1.028 249 S CB 1.364 64.532 63.200 -0.053 0.000 0.985 249 S HN -0.104 nan 8.310 nan 0.000 0.551 250 V N 3.039 122.901 119.914 -0.087 0.000 2.789 250 V HA 0.468 4.588 4.120 0.000 0.000 0.311 250 V C -2.900 173.160 176.094 -0.057 0.000 1.073 250 V CA -2.168 60.088 62.300 -0.073 0.000 0.921 250 V CB 1.723 33.475 31.823 -0.119 0.000 1.009 250 V HN -0.018 nan 8.190 nan 0.000 0.426 251 P HA 0.309 nan 4.420 nan 0.000 0.276 251 P C -0.920 176.335 177.300 -0.075 0.000 1.235 251 P CA -0.115 62.947 63.100 -0.063 0.000 0.772 251 P CB 0.820 32.477 31.700 -0.071 0.000 0.871 252 V N 4.581 124.453 119.914 -0.069 0.000 2.394 252 V HA 0.213 4.333 4.120 0.000 0.000 0.282 252 V C 0.026 176.080 176.094 -0.066 0.000 1.031 252 V CA -0.463 61.848 62.300 0.018 0.000 0.881 252 V CB 0.588 32.513 31.823 0.169 0.000 0.982 252 V HN 0.565 nan 8.190 nan 0.000 0.451 253 H N 4.268 123.373 119.070 0.058 0.000 2.502 253 H HA 0.563 5.119 4.556 0.000 0.000 0.327 253 H C -0.361 174.993 175.328 0.044 0.000 1.099 253 H CA -0.413 55.673 56.048 0.063 0.000 1.323 253 H CB 1.044 30.861 29.762 0.092 0.000 1.450 253 H HN 0.474 nan 8.280 nan 0.000 0.502 254 L N 4.681 125.990 121.223 0.143 0.000 2.265 254 L HA 0.324 4.664 4.340 0.000 0.000 0.289 254 L C -0.621 176.303 176.870 0.090 0.000 1.033 254 L CA -0.371 54.520 54.840 0.086 0.000 0.814 254 L CB 0.651 42.742 42.059 0.053 0.000 1.203 254 L HN 0.386 nan 8.230 nan 0.000 0.423 255 L N 4.339 125.597 121.223 0.058 0.000 2.296 255 L HA 0.550 4.890 4.340 0.000 0.000 0.286 255 L C 0.205 177.099 176.870 0.040 0.000 1.023 255 L CA -0.541 54.334 54.840 0.058 0.000 0.812 255 L CB 1.807 43.890 42.059 0.040 0.000 1.223 255 L HN 0.664 nan 8.230 nan 0.000 0.421 256 R N 0.721 121.250 120.500 0.049 0.000 2.719 256 R HA 0.389 4.729 4.340 0.000 0.000 0.233 256 R C 1.076 177.407 176.300 0.051 0.000 1.257 256 R CA -0.691 55.432 56.100 0.038 0.000 1.109 256 R CB 0.879 31.201 30.300 0.035 0.000 1.447 256 R HN 0.533 nan 8.270 nan 0.000 0.537 257 T N 0.391 114.973 114.554 0.047 0.000 2.624 257 T HA -0.188 4.162 4.350 0.000 0.000 0.268 257 T C 1.516 176.263 174.700 0.079 0.000 1.041 257 T CA 2.013 64.150 62.100 0.062 0.000 1.159 257 T CB -0.527 68.371 68.868 0.050 0.000 0.863 257 T HN 0.824 nan 8.240 nan 0.000 0.434 258 G N 1.735 110.576 108.800 0.068 0.000 3.155 258 G HA2 0.085 4.045 3.960 0.000 0.000 0.213 258 G HA3 0.085 4.045 3.960 0.000 0.000 0.213 258 G C -0.138 174.810 174.900 0.081 0.000 1.196 258 G CA -0.156 44.987 45.100 0.073 0.000 0.846 258 G HN 0.372 nan 8.290 nan 0.000 0.516 259 D N 0.367 120.822 120.400 0.091 0.000 2.272 259 D HA 0.423 5.063 4.640 0.000 0.000 0.247 259 D C 0.145 176.524 176.300 0.132 0.000 0.990 259 D CA -0.156 53.903 54.000 0.099 0.000 0.931 259 D CB 1.740 42.596 40.800 0.094 0.000 1.195 259 D HN 0.543 nan 8.370 nan 0.000 0.477 260 E N -0.326 119.955 120.200 0.135 0.000 2.416 260 E HA 0.671 5.021 4.350 0.000 0.000 0.273 260 E C -1.502 175.203 176.600 0.175 0.000 0.935 260 E CA -1.059 55.447 56.400 0.176 0.000 0.784 260 E CB 2.326 32.119 29.700 0.154 0.000 1.301 260 E HN 0.263 nan 8.360 nan 0.000 0.454 261 F N 0.873 120.827 119.950 0.007 0.000 2.588 261 F HA 0.728 5.255 4.527 0.000 0.000 0.318 261 F C -1.909 173.854 175.800 -0.062 0.000 1.155 261 F CA -0.422 57.532 58.000 -0.076 0.000 0.967 261 F CB 1.889 40.818 39.000 -0.119 0.000 1.236 261 F HN 0.804 nan 8.300 nan 0.000 0.455 262 A N 3.442 125.738 122.820 -0.873 0.000 2.414 262 A HA 0.745 5.065 4.320 0.000 0.000 0.306 262 A C -0.493 176.564 177.584 -0.878 0.000 1.054 262 A CA -0.277 51.376 52.037 -0.640 0.000 0.724 262 A CB 1.217 20.004 19.000 -0.356 0.000 1.267 262 A HN 0.933 nan 8.150 nan 0.000 0.418 263 T N -0.089 114.149 114.554 -0.527 0.000 2.902 263 T HA 0.672 5.022 4.350 0.000 0.000 0.280 263 T C 0.848 175.364 174.700 -0.307 0.000 0.992 263 T CA 0.074 61.950 62.100 -0.373 0.000 1.015 263 T CB 1.301 70.052 68.868 -0.196 0.000 1.044 263 T HN 1.214 nan 8.240 nan 0.000 0.520 264 G N 0.212 108.875 108.800 -0.228 0.000 2.485 264 G HA2 0.472 4.432 3.960 0.000 0.000 0.260 264 G HA3 0.472 4.432 3.960 0.000 0.000 0.260 264 G C -0.342 174.418 174.900 -0.233 0.000 1.459 264 G CA -0.654 44.329 45.100 -0.196 0.000 1.060 264 G HN 0.842 nan 8.290 nan 0.000 0.546 265 T N 0.114 114.537 114.554 -0.220 0.000 2.837 265 T HA 0.433 4.783 4.350 0.000 0.000 0.285 265 T C -1.229 173.245 174.700 -0.376 0.000 0.984 265 T CA 0.069 61.950 62.100 -0.364 0.000 1.049 265 T CB 1.075 69.694 68.868 -0.415 0.000 0.947 265 T HN 0.301 nan 8.240 nan 0.000 0.472 266 F N 3.770 123.312 119.950 -0.679 0.000 2.467 266 F HA 0.645 5.172 4.527 0.000 0.000 0.336 266 F C -1.636 173.658 175.800 -0.842 0.000 1.123 266 F CA -1.792 55.848 58.000 -0.599 0.000 0.964 266 F CB 0.640 39.305 39.000 -0.559 0.000 1.136 266 F HN 0.419 nan 8.300 nan 0.000 0.447 267 F N 6.506 125.959 119.950 -0.828 0.000 2.415 267 F HA 0.439 4.966 4.527 0.000 0.000 0.348 267 F C -0.423 175.001 175.800 -0.627 0.000 1.119 267 F CA -0.656 57.011 58.000 -0.553 0.000 1.069 267 F CB 0.620 39.391 39.000 -0.382 0.000 1.124 267 F HN 0.250 nan 8.300 nan 0.000 0.472 268 F N 1.334 121.250 119.950 -0.057 0.000 2.406 268 F HA 0.272 4.799 4.527 0.000 0.000 0.327 268 F C 0.312 176.089 175.800 -0.038 0.000 1.153 268 F CA -0.337 57.654 58.000 -0.015 0.000 1.218 268 F CB 0.660 39.574 39.000 -0.145 0.000 1.215 268 F HN 0.345 nan 8.300 nan 0.000 0.570 269 D N 1.565 122.090 120.400 0.209 0.000 2.346 269 D HA 0.484 5.124 4.640 0.000 0.000 0.255 269 D C -1.596 174.778 176.300 0.124 0.000 1.276 269 D CA -0.180 53.886 54.000 0.111 0.000 0.941 269 D CB 0.401 41.228 40.800 0.044 0.000 1.199 269 D HN 0.611 nan 8.370 nan 0.000 0.537 270 C N 1.380 120.753 119.300 0.122 0.000 3.239 270 C HA 0.589 5.049 4.460 0.000 0.000 0.329 270 C C -0.113 174.964 174.990 0.146 0.000 1.252 270 C CA -1.470 57.627 59.018 0.132 0.000 1.323 270 C CB 0.773 28.617 27.740 0.174 0.000 1.663 270 C HN 0.440 nan 8.230 nan 0.000 0.487 271 K N 1.897 122.373 120.400 0.126 0.000 2.559 271 K HA 0.232 4.551 4.320 0.000 0.000 0.279 271 K C -2.047 174.631 176.600 0.131 0.000 0.967 271 K CA 0.028 56.373 56.287 0.097 0.000 1.000 271 K CB 0.182 32.719 32.500 0.062 0.000 0.890 271 K HN 0.598 nan 8.250 nan 0.000 0.501 272 P HA 0.032 nan 4.420 nan 0.000 0.276 272 P C -0.667 176.659 177.300 0.042 0.000 1.244 272 P CA -0.575 62.447 63.100 -0.129 0.000 0.801 272 P CB 0.876 32.196 31.700 -0.632 0.000 1.006 273 C N 3.425 122.809 119.300 0.139 0.000 2.329 273 C HA 0.475 4.935 4.460 0.000 0.000 0.329 273 C C 0.441 175.467 174.990 0.059 0.000 1.275 273 C CA -0.657 58.371 59.018 0.016 0.000 1.726 273 C CB -0.071 27.582 27.740 -0.145 0.000 2.291 273 C HN 0.531 nan 8.230 nan 0.000 0.514 274 R N 4.665 125.183 120.500 0.031 0.000 2.457 274 R HA 0.431 4.771 4.340 0.000 0.000 0.284 274 R C -0.160 176.161 176.300 0.036 0.000 1.024 274 R CA -0.464 55.663 56.100 0.043 0.000 1.025 274 R CB 0.796 31.122 30.300 0.044 0.000 1.063 274 R HN 0.753 nan 8.270 nan 0.000 0.493 275 L N 1.796 123.031 121.223 0.021 0.000 3.062 275 L HA 0.177 4.517 4.340 0.000 0.000 0.255 275 L C -0.071 176.818 176.870 0.031 0.000 1.274 275 L CA -0.176 54.662 54.840 -0.002 0.000 1.047 275 L CB 0.179 42.191 42.059 -0.078 0.000 1.402 275 L HN 0.777 nan 8.230 nan 0.000 0.550 276 T N -3.753 110.836 114.554 0.058 0.000 2.906 276 T HA 0.472 4.822 4.350 0.000 0.000 0.295 276 T C -0.569 174.197 174.700 0.109 0.000 1.061 276 T CA -0.725 61.408 62.100 0.055 0.000 1.000 276 T CB 2.196 71.062 68.868 -0.004 0.000 1.103 276 T HN 0.199 nan 8.240 nan 0.000 0.486 277 H N 0.033 119.167 119.070 0.105 0.000 2.573 277 H HA 0.676 5.232 4.556 0.000 0.000 0.351 277 H C -0.360 175.051 175.328 0.138 0.000 1.163 277 H CA -0.761 55.368 56.048 0.134 0.000 1.205 277 H CB 1.399 31.271 29.762 0.184 0.000 1.605 277 H HN 0.874 nan 8.280 nan 0.000 0.525 278 T N -0.317 114.324 114.554 0.146 0.000 2.918 278 T HA 0.209 4.559 4.350 0.000 0.000 0.283 278 T C 0.825 175.659 174.700 0.224 0.000 1.001 278 T CA -0.779 61.342 62.100 0.036 0.000 1.041 278 T CB 1.152 70.010 68.868 -0.016 0.000 1.028 278 T HN 0.947 nan 8.240 nan 0.000 0.511 279 W N 0.062 121.427 121.300 0.110 0.000 2.782 279 W HA 0.265 4.925 4.660 0.000 0.000 0.268 279 W C -0.130 176.447 176.519 0.097 0.000 1.043 279 W CA -0.632 56.800 57.345 0.145 0.000 1.387 279 W CB -0.166 29.381 29.460 0.146 0.000 0.904 279 W HN 0.543 nan 8.180 nan 0.000 0.625 280 Q N 2.928 122.261 119.800 -0.779 0.000 2.330 280 Q HA 0.213 4.553 4.340 0.000 0.000 0.279 280 Q C 0.585 176.478 176.000 -0.178 0.000 1.024 280 Q CA 1.180 56.566 55.803 -0.694 0.000 0.900 280 Q CB 1.118 29.337 28.738 -0.863 0.000 1.221 280 Q HN 0.077 nan 8.270 nan 0.000 0.396 281 T N -1.471 113.057 114.554 -0.043 0.000 2.927 281 T HA 0.246 4.596 4.350 0.000 0.000 0.286 281 T C 0.688 175.377 174.700 -0.018 0.000 1.040 281 T CA -0.931 61.174 62.100 0.008 0.000 1.010 281 T CB 0.933 69.845 68.868 0.073 0.000 1.177 281 T HN 0.456 nan 8.240 nan 0.000 0.546 282 N N 0.113 118.805 118.700 -0.014 0.000 2.182 282 N HA -0.131 4.609 4.740 0.000 0.000 0.192 282 N C 1.767 177.272 175.510 -0.009 0.000 1.007 282 N CA 1.000 54.030 53.050 -0.032 0.000 0.873 282 N CB -0.275 38.199 38.487 -0.022 0.000 0.998 282 N HN 0.377 nan 8.380 nan 0.000 0.436 283 R N -0.183 120.334 120.500 0.029 0.000 2.280 283 R HA 0.121 4.461 4.340 0.000 0.000 0.207 283 R C 0.258 176.602 176.300 0.074 0.000 1.043 283 R CA 0.479 56.612 56.100 0.056 0.000 1.006 283 R CB -0.115 30.233 30.300 0.079 0.000 0.885 283 R HN 0.167 nan 8.270 nan 0.000 0.467 284 A N 0.528 123.384 122.820 0.060 0.000 2.749 284 A HA 0.355 4.675 4.320 0.000 0.000 0.299 284 A C -0.140 177.453 177.584 0.014 0.000 1.105 284 A CA -0.401 51.687 52.037 0.084 0.000 0.987 284 A CB 0.277 19.381 19.000 0.173 0.000 1.180 284 A HN 0.035 nan 8.150 nan 0.000 0.528 285 L N 0.666 121.896 121.223 0.011 0.000 2.298 285 L HA 0.667 5.007 4.340 0.000 0.000 0.284 285 L C 0.842 177.783 176.870 0.120 0.000 1.013 285 L CA 0.074 54.926 54.840 0.021 0.000 0.824 285 L CB 1.219 43.178 42.059 -0.166 0.000 1.221 285 L HN 0.649 nan 8.230 nan 0.000 0.418 286 G N 2.564 111.532 108.800 0.280 0.000 2.548 286 G HA2 -0.186 3.774 3.960 0.000 0.000 0.208 286 G HA3 -0.186 3.774 3.960 0.000 0.000 0.208 286 G C -1.193 173.795 174.900 0.146 0.000 1.308 286 G CA -0.877 44.380 45.100 0.263 0.000 0.924 286 G HN 0.468 nan 8.290 nan 0.000 0.540 287 L N 2.420 123.715 121.223 0.119 0.000 2.369 287 L HA 0.592 4.932 4.340 0.000 0.000 0.279 287 L C -1.283 175.647 176.870 0.100 0.000 1.108 287 L CA -1.044 53.853 54.840 0.096 0.000 0.852 287 L CB 0.071 42.177 42.059 0.079 0.000 1.169 287 L HN 0.521 nan 8.230 nan 0.000 0.452 288 P HA 0.262 nan 4.420 nan 0.000 0.272 288 P C -2.586 174.782 177.300 0.113 0.000 1.240 288 P CA -0.902 62.260 63.100 0.103 0.000 0.791 288 P CB -0.260 31.501 31.700 0.102 0.000 0.978 289 P HA 0.045 nan 4.420 nan 0.000 0.271 289 P C -0.767 176.623 177.300 0.150 0.000 1.216 289 P CA -0.141 63.029 63.100 0.118 0.000 0.776 289 P CB 0.335 32.085 31.700 0.083 0.000 0.881 290 F N 3.958 123.930 119.950 0.037 0.000 2.506 290 F HA 0.171 4.698 4.527 0.000 0.000 0.371 290 F C 0.068 175.888 175.800 0.033 0.000 1.078 290 F CA -0.586 57.433 58.000 0.033 0.000 1.195 290 F CB -0.070 38.947 39.000 0.028 0.000 1.099 290 F HN 0.115 nan 8.300 nan 0.000 0.548 291 L N 7.604 128.448 121.223 -0.632 0.000 2.385 291 L HA 0.123 4.463 4.340 0.000 0.000 0.281 291 L C 1.227 177.531 176.870 -0.943 0.000 1.106 291 L CA -0.201 54.302 54.840 -0.562 0.000 0.856 291 L CB 0.119 41.996 42.059 -0.302 0.000 1.186 291 L HN 0.663 nan 8.230 nan 0.000 0.453 292 N N 0.962 119.323 118.700 -0.564 0.000 2.467 292 N HA -0.052 4.688 4.740 0.000 0.000 0.184 292 N C 0.165 175.567 175.510 -0.180 0.000 1.106 292 N CA 0.387 53.231 53.050 -0.344 0.000 0.892 292 N CB 0.597 39.040 38.487 -0.073 0.000 0.969 292 N HN 0.479 nan 8.380 nan 0.000 0.454 293 S N 0.483 116.081 115.700 -0.170 0.000 2.776 293 S HA 0.463 4.933 4.470 0.000 0.000 0.284 293 S C -0.766 173.786 174.600 -0.080 0.000 1.160 293 S CA -0.626 57.522 58.200 -0.086 0.000 1.051 293 S CB 0.325 63.500 63.200 -0.042 0.000 1.037 293 S HN 0.016 nan 8.310 nan 0.000 0.485 294 L N 5.476 126.660 121.223 -0.066 0.000 2.360 294 L HA 0.626 4.966 4.340 0.000 0.000 0.271 294 L C -1.652 175.203 176.870 -0.025 0.000 1.057 294 L CA -2.131 52.681 54.840 -0.047 0.000 0.803 294 L CB 0.976 43.008 42.059 -0.045 0.000 1.207 294 L HN 0.490 nan 8.230 nan 0.000 0.445 295 P HA 0.079 nan 4.420 nan 0.000 0.272 295 P C -0.907 176.376 177.300 -0.029 0.000 1.223 295 P CA -0.277 62.808 63.100 -0.025 0.000 0.784 295 P CB 1.037 32.718 31.700 -0.032 0.000 0.923 296 Q N -0.227 119.554 119.800 -0.032 0.000 2.189 296 Q HA 0.178 4.518 4.340 0.000 0.000 0.223 296 Q C -0.169 175.812 176.000 -0.033 0.000 0.828 296 Q CA -0.017 55.770 55.803 -0.028 0.000 0.967 296 Q CB 0.626 29.351 28.738 -0.022 0.000 1.139 296 Q HN 0.612 nan 8.270 nan 0.000 0.497 297 S N -0.708 114.966 115.700 -0.043 0.000 2.543 297 S HA 0.329 4.799 4.470 0.000 0.000 0.273 297 S C -0.708 173.856 174.600 -0.059 0.000 1.152 297 S CA -1.004 57.168 58.200 -0.046 0.000 0.910 297 S CB 1.905 65.078 63.200 -0.044 0.000 1.105 297 S HN 0.096 nan 8.310 nan 0.000 0.465 298 E N 0.581 120.749 120.200 -0.053 0.000 2.458 298 E HA 0.438 4.788 4.350 0.000 0.000 0.264 298 E C 0.544 177.097 176.600 -0.078 0.000 1.097 298 E CA 0.890 57.254 56.400 -0.059 0.000 0.973 298 E CB 0.247 29.919 29.700 -0.046 0.000 0.963 298 E HN 1.141 nan 8.360 nan 0.000 0.451 299 G N -0.675 108.071 108.800 -0.090 0.000 2.337 299 G HA2 0.248 4.208 3.960 0.000 0.000 0.310 299 G HA3 0.248 4.208 3.960 0.000 0.000 0.310 299 G C -0.352 174.457 174.900 -0.153 0.000 1.534 299 G CA -0.275 44.755 45.100 -0.116 0.000 0.982 299 G HN 0.474 nan 8.290 nan 0.000 0.672 300 A N -0.587 122.143 122.820 -0.150 0.000 2.275 300 A HA 0.472 4.792 4.320 0.000 0.000 0.212 300 A C 1.898 179.278 177.584 -0.340 0.000 1.201 300 A CA 2.072 54.021 52.037 -0.148 0.000 0.843 300 A CB -0.179 18.789 19.000 -0.054 0.000 0.873 300 A HN 1.911 nan 8.150 nan 0.000 0.492 301 T N -3.800 110.470 114.554 -0.474 0.000 3.040 301 T HA 0.183 4.533 4.350 0.000 0.000 0.266 301 T C -0.077 174.029 174.700 -0.990 0.000 1.005 301 T CA -0.271 61.364 62.100 -0.774 0.000 0.906 301 T CB -0.446 68.242 68.868 -0.300 0.000 1.082 301 T HN 0.213 nan 8.240 nan 0.000 0.531 302 N N 1.859 120.126 118.700 -0.722 0.000 2.767 302 N HA 0.497 5.237 4.740 0.000 0.000 0.238 302 N C -1.168 174.112 175.510 -0.384 0.000 1.083 302 N CA -0.521 52.267 53.050 -0.436 0.000 0.964 302 N CB 0.063 38.416 38.487 -0.222 0.000 1.252 302 N HN 0.239 nan 8.380 nan 0.000 0.512 303 F N -0.138 119.802 119.950 -0.017 0.000 2.362 303 F HA 0.634 5.161 4.527 0.000 0.000 0.311 303 F C 1.582 177.366 175.800 -0.027 0.000 1.161 303 F CA -0.942 57.046 58.000 -0.019 0.000 1.085 303 F CB 0.441 39.432 39.000 -0.015 0.000 1.311 303 F HN 0.161 nan 8.300 nan 0.000 0.524 304 G N -0.568 108.346 108.800 0.190 0.000 2.434 304 G HA2 0.476 4.436 3.960 0.000 0.000 0.330 304 G HA3 0.476 4.436 3.960 0.000 0.000 0.330 304 G C -2.027 172.904 174.900 0.051 0.000 1.155 304 G CA -0.355 44.784 45.100 0.066 0.000 0.917 304 G HN 0.530 nan 8.290 nan 0.000 0.493 305 D N -0.062 120.338 120.400 0.000 0.000 2.619 305 D HA 0.332 4.972 4.640 0.000 0.000 0.241 305 D C 1.442 177.712 176.300 -0.050 0.000 1.087 305 D CA -0.750 53.245 54.000 -0.008 0.000 0.851 305 D CB 1.858 42.664 40.800 0.010 0.000 1.474 305 D HN 0.128 nan 8.370 nan 0.000 0.478 306 I N 2.153 122.701 120.570 -0.036 0.000 2.163 306 I HA -0.057 4.113 4.170 0.000 0.000 0.243 306 I C 1.622 177.718 176.117 -0.034 0.000 1.085 306 I CA 1.230 62.504 61.300 -0.043 0.000 1.347 306 I CB -0.398 37.604 38.000 0.003 0.000 1.044 306 I HN 0.777 nan 8.210 nan 0.000 0.408 307 G N 1.151 109.948 108.800 -0.005 0.000 2.182 307 G HA2 -0.189 3.771 3.960 0.000 0.000 0.248 307 G HA3 -0.189 3.771 3.960 0.000 0.000 0.248 307 G C -0.201 174.720 174.900 0.034 0.000 1.042 307 G CA 0.062 45.168 45.100 0.009 0.000 0.775 307 G HN 0.229 nan 8.290 nan 0.000 0.501 308 V N -0.009 119.932 119.914 0.045 0.000 2.711 308 V HA 0.316 4.436 4.120 0.000 0.000 0.304 308 V C 0.480 176.613 176.094 0.064 0.000 1.097 308 V CA -1.097 61.238 62.300 0.058 0.000 0.906 308 V CB 1.870 33.736 31.823 0.071 0.000 1.015 308 V HN 0.441 nan 8.190 nan 0.000 0.427 309 Q N 3.038 122.876 119.800 0.064 0.000 2.308 309 Q HA -0.034 4.306 4.340 0.000 0.000 0.313 309 Q C 1.133 177.198 176.000 0.108 0.000 1.075 309 Q CA 0.366 56.217 55.803 0.079 0.000 0.995 309 Q CB 0.628 29.407 28.738 0.068 0.000 1.107 309 Q HN 0.666 nan 8.270 nan 0.000 0.380 310 Q N 1.695 121.586 119.800 0.151 0.000 2.268 310 Q HA -0.226 4.114 4.340 0.000 0.000 0.210 310 Q C 0.763 176.916 176.000 0.255 0.000 0.988 310 Q CA 1.595 57.530 55.803 0.220 0.000 0.883 310 Q CB 0.052 28.954 28.738 0.274 0.000 0.911 310 Q HN 0.697 nan 8.270 nan 0.000 0.430 311 D N -1.185 119.313 120.400 0.163 0.000 2.368 311 D HA -0.001 4.639 4.640 0.000 0.000 0.218 311 D C 0.696 176.994 176.300 -0.003 0.000 1.112 311 D CA 0.055 54.051 54.000 -0.006 0.000 0.834 311 D CB 0.358 41.012 40.800 -0.243 0.000 0.953 311 D HN -0.025 nan 8.370 nan 0.000 0.505 312 K N 0.505 120.929 120.400 0.040 0.000 2.447 312 K HA 0.225 4.545 4.320 0.000 0.000 0.205 312 K C 0.474 177.100 176.600 0.044 0.000 1.059 312 K CA -0.332 55.973 56.287 0.031 0.000 1.065 312 K CB 1.518 34.037 32.500 0.033 0.000 0.885 312 K HN 0.107 nan 8.250 nan 0.000 0.545 313 R N 1.100 121.636 120.500 0.060 0.000 2.615 313 R HA 0.289 4.629 4.340 0.000 0.000 0.270 313 R C 0.191 176.524 176.300 0.054 0.000 1.081 313 R CA -0.215 55.925 56.100 0.067 0.000 1.154 313 R CB 0.842 31.193 30.300 0.084 0.000 1.063 313 R HN -0.073 nan 8.270 nan 0.000 0.519 314 R N 0.036 120.568 120.500 0.054 0.000 2.598 314 R HA 0.644 4.984 4.340 0.000 0.000 0.279 314 R C 0.019 176.346 176.300 0.046 0.000 0.984 314 R CA -0.359 55.766 56.100 0.042 0.000 0.999 314 R CB 1.871 32.193 30.300 0.036 0.000 1.114 314 R HN 0.859 nan 8.270 nan 0.000 0.493 315 G N -0.068 108.753 108.800 0.036 0.000 2.350 315 G HA2 0.193 4.153 3.960 0.000 0.000 0.282 315 G HA3 0.193 4.153 3.960 0.000 0.000 0.282 315 G C -1.812 173.104 174.900 0.027 0.000 1.314 315 G CA -0.871 44.251 45.100 0.036 0.000 0.915 315 G HN 0.404 nan 8.290 nan 0.000 0.499 316 V N 0.513 120.442 119.914 0.025 0.000 2.735 316 V HA 0.908 5.028 4.120 0.000 0.000 0.310 316 V C 0.307 176.406 176.094 0.009 0.000 1.061 316 V CA 0.113 62.422 62.300 0.014 0.000 0.913 316 V CB 1.487 33.316 31.823 0.010 0.000 1.005 316 V HN 1.715 nan 8.190 nan 0.000 0.428 317 T N 0.282 114.835 114.554 -0.002 0.000 2.864 317 T HA 0.426 4.776 4.350 0.000 0.000 0.299 317 T C -0.201 174.481 174.700 -0.030 0.000 1.166 317 T CA -0.679 61.412 62.100 -0.015 0.000 1.007 317 T CB 2.317 71.175 68.868 -0.016 0.000 1.219 317 T HN 0.489 nan 8.240 nan 0.000 0.506 318 Q N 0.275 120.048 119.800 -0.046 0.000 2.246 318 Q HA 0.266 4.606 4.340 0.000 0.000 0.202 318 Q C -0.057 175.901 176.000 -0.071 0.000 0.883 318 Q CA 0.125 55.898 55.803 -0.051 0.000 0.952 318 Q CB 0.065 28.773 28.738 -0.050 0.000 1.078 318 Q HN 0.590 nan 8.270 nan 0.000 0.493 319 M N 0.205 119.750 119.600 -0.093 0.000 2.289 319 M HA 0.211 4.691 4.480 0.000 0.000 0.354 319 M C 1.014 177.263 176.300 -0.087 0.000 1.210 319 M CA -0.241 54.979 55.300 -0.134 0.000 1.174 319 M CB 0.901 33.348 32.600 -0.255 0.000 1.297 319 M HN 0.092 nan 8.290 nan 0.000 0.423 320 G N 2.097 110.862 108.800 -0.057 0.000 2.535 320 G HA2 -0.167 3.793 3.960 0.000 0.000 0.218 320 G HA3 -0.167 3.793 3.960 0.000 0.000 0.218 320 G C 1.187 176.073 174.900 -0.022 0.000 1.122 320 G CA 0.516 45.597 45.100 -0.033 0.000 0.769 320 G HN 0.563 nan 8.290 nan 0.000 0.549 321 N N 0.469 119.153 118.700 -0.028 0.000 2.124 321 N HA -0.042 4.698 4.740 0.000 0.000 0.189 321 N C 1.598 177.122 175.510 0.024 0.000 1.050 321 N CA 1.502 54.558 53.050 0.009 0.000 0.848 321 N CB -0.592 37.918 38.487 0.038 0.000 1.027 321 N HN 0.428 nan 8.380 nan 0.000 0.435 322 T N -1.258 113.312 114.554 0.026 0.000 2.881 322 T HA 0.317 4.667 4.350 0.000 0.000 0.278 322 T C 0.538 175.237 174.700 -0.002 0.000 0.982 322 T CA -0.592 61.541 62.100 0.055 0.000 0.989 322 T CB 1.199 70.220 68.868 0.254 0.000 1.058 322 T HN 0.118 nan 8.240 nan 0.000 0.529 323 N N -1.107 117.550 118.700 -0.071 0.000 2.187 323 N HA 0.123 4.863 4.740 0.000 0.000 0.212 323 N C -0.944 174.547 175.510 -0.031 0.000 1.152 323 N CA -0.189 52.819 53.050 -0.070 0.000 0.872 323 N CB 0.248 38.666 38.487 -0.115 0.000 1.025 323 N HN 0.458 nan 8.380 nan 0.000 0.514 324 Y N 1.428 121.786 120.300 0.097 0.000 2.402 324 Y HA 0.228 4.778 4.550 0.000 0.000 0.333 324 Y C 0.404 176.355 175.900 0.085 0.000 1.076 324 Y CA -0.158 58.012 58.100 0.118 0.000 1.299 324 Y CB 0.418 39.007 38.460 0.216 0.000 1.197 324 Y HN -0.037 nan 8.280 nan 0.000 0.517 325 I N 4.747 125.467 120.570 0.250 0.000 2.502 325 I HA 0.175 4.345 4.170 0.000 0.000 0.276 325 I C -0.028 176.174 176.117 0.143 0.000 1.057 325 I CA -0.393 60.999 61.300 0.153 0.000 1.163 325 I CB 0.610 38.673 38.000 0.105 0.000 1.288 325 I HN 0.602 nan 8.210 nan 0.000 0.479 326 T N -0.093 114.543 114.554 0.136 0.000 2.922 326 T HA 0.349 4.699 4.350 0.000 0.000 0.281 326 T C 0.985 175.737 174.700 0.087 0.000 1.005 326 T CA -0.635 61.528 62.100 0.105 0.000 0.982 326 T CB 2.031 70.959 68.868 0.100 0.000 1.158 326 T HN 0.291 nan 8.240 nan 0.000 0.566 327 E N 0.190 120.435 120.200 0.076 0.000 2.204 327 E HA -0.029 4.321 4.350 0.000 0.000 0.195 327 E C 2.010 178.652 176.600 0.071 0.000 0.990 327 E CA 1.220 57.662 56.400 0.069 0.000 0.821 327 E CB -0.503 29.235 29.700 0.063 0.000 0.750 327 E HN 0.781 nan 8.360 nan 0.000 0.477 328 A N -0.034 122.840 122.820 0.091 0.000 2.238 328 A HA 0.067 4.387 4.320 0.000 0.000 0.210 328 A C 1.997 179.626 177.584 0.074 0.000 1.179 328 A CA 0.677 52.770 52.037 0.094 0.000 0.827 328 A CB 0.188 19.283 19.000 0.158 0.000 0.856 328 A HN 0.088 nan 8.150 nan 0.000 0.488 329 T N -0.607 113.994 114.554 0.077 0.000 3.038 329 T HA 0.186 4.536 4.350 0.000 0.000 0.244 329 T C 0.638 175.352 174.700 0.024 0.000 1.016 329 T CA -0.232 61.897 62.100 0.049 0.000 1.098 329 T CB -0.216 68.707 68.868 0.091 0.000 0.954 329 T HN 0.300 nan 8.240 nan 0.000 0.469 330 I N 2.792 123.386 120.570 0.040 0.000 2.948 330 I HA -0.011 4.159 4.170 0.000 0.000 0.303 330 I C 0.377 176.499 176.117 0.008 0.000 1.224 330 I CA 0.103 61.421 61.300 0.030 0.000 1.442 330 I CB 0.262 38.287 38.000 0.043 0.000 1.328 330 I HN 0.241 nan 8.210 nan 0.000 0.578 331 M N 7.740 127.340 119.600 -0.000 0.000 2.219 331 M HA 0.271 4.751 4.480 0.000 0.000 0.353 331 M C -0.702 175.583 176.300 -0.026 0.000 1.304 331 M CA -0.048 55.242 55.300 -0.017 0.000 1.115 331 M CB 0.061 32.650 32.600 -0.018 0.000 1.664 331 M HN 0.482 nan 8.290 nan 0.000 0.459 332 R N 5.588 126.057 120.500 -0.050 0.000 2.664 332 R HA 0.429 4.769 4.340 0.000 0.000 0.286 332 R C -1.693 174.536 176.300 -0.118 0.000 0.967 332 R CA -1.754 54.292 56.100 -0.091 0.000 0.933 332 R CB 0.372 30.612 30.300 -0.100 0.000 1.146 332 R HN 0.570 nan 8.270 nan 0.000 0.468 333 P HA -0.178 nan 4.420 nan 0.000 0.216 333 P C 0.044 177.262 177.300 -0.136 0.000 1.154 333 P CA 1.560 64.561 63.100 -0.166 0.000 0.865 333 P CB 0.447 31.980 31.700 -0.278 0.000 0.789 334 A N -1.454 121.271 122.820 -0.158 0.000 3.136 334 A HA 0.547 4.867 4.320 0.000 0.000 0.299 334 A C -1.381 176.144 177.584 -0.098 0.000 1.197 334 A CA -0.575 51.395 52.037 -0.112 0.000 0.640 334 A CB 0.768 19.706 19.000 -0.104 0.000 1.440 334 A HN -0.012 nan 8.150 nan 0.000 0.614 335 E N 0.271 120.430 120.200 -0.069 0.000 2.216 335 E HA 0.536 4.886 4.350 0.000 0.000 0.260 335 E C -1.667 174.927 176.600 -0.009 0.000 0.880 335 E CA -0.500 55.877 56.400 -0.038 0.000 0.765 335 E CB 1.726 31.416 29.700 -0.016 0.000 1.174 335 E HN 0.402 nan 8.360 nan 0.000 0.417 336 V N 4.433 124.341 119.914 -0.010 0.000 2.470 336 V HA 0.461 4.581 4.120 0.000 0.000 0.276 336 V C 0.824 176.960 176.094 0.070 0.000 1.040 336 V CA 0.953 63.264 62.300 0.018 0.000 1.008 336 V CB 0.273 32.091 31.823 -0.008 0.000 0.990 336 V HN 0.971 nan 8.190 nan 0.000 0.477 337 G N 4.573 113.450 108.800 0.129 0.000 2.796 337 G HA2 -0.059 3.901 3.960 0.000 0.000 0.571 337 G HA3 -0.059 3.901 3.960 0.000 0.000 0.571 337 G C -1.108 173.967 174.900 0.292 0.000 1.370 337 G CA 0.068 45.287 45.100 0.198 0.000 0.856 337 G HN 1.999 nan 8.290 nan 0.000 0.538 338 Y N -2.603 117.734 120.300 0.061 0.000 2.624 338 Y HA 0.811 5.361 4.550 0.000 0.000 0.334 338 Y C -0.242 175.677 175.900 0.032 0.000 1.155 338 Y CA -0.914 57.222 58.100 0.060 0.000 1.046 338 Y CB 0.736 39.284 38.460 0.147 0.000 1.316 338 Y HN 0.932 nan 8.280 nan 0.000 0.457 339 S N 1.455 117.108 115.700 -0.078 0.000 2.480 339 S HA 0.903 5.373 4.470 0.000 0.000 0.286 339 S C -0.474 174.057 174.600 -0.114 0.000 1.180 339 S CA -0.083 58.031 58.200 -0.143 0.000 1.075 339 S CB 0.858 64.071 63.200 0.020 0.000 0.996 339 S HN 1.001 nan 8.310 nan 0.000 0.487 340 A N 4.251 126.990 122.820 -0.136 0.000 2.469 340 A HA 0.845 5.165 4.320 0.000 0.000 0.299 340 A C -3.057 174.597 177.584 0.117 0.000 1.098 340 A CA -2.197 49.849 52.037 0.015 0.000 0.737 340 A CB 0.599 19.598 19.000 -0.000 0.000 1.312 340 A HN 0.506 nan 8.150 nan 0.000 0.414 341 P HA 0.235 nan 4.420 nan 0.000 0.263 341 P C -1.317 176.133 177.300 0.249 0.000 1.195 341 P CA 0.724 63.935 63.100 0.185 0.000 0.762 341 P CB -0.181 31.587 31.700 0.113 0.000 0.799 342 Y N 2.244 122.569 120.300 0.040 0.000 2.331 342 Y HA 0.512 5.062 4.550 0.000 0.000 0.338 342 Y C -0.244 175.763 175.900 0.178 0.000 0.992 342 Y CA -2.043 56.099 58.100 0.070 0.000 1.121 342 Y CB 0.164 38.604 38.460 -0.034 0.000 1.184 342 Y HN 0.319 nan 8.280 nan 0.000 0.469 343 Y N 0.617 120.984 120.300 0.111 0.000 3.091 343 Y HA -0.187 4.363 4.550 0.000 0.000 0.189 343 Y C 0.279 176.246 175.900 0.111 0.000 1.520 343 Y CA 0.471 58.624 58.100 0.089 0.000 1.121 343 Y CB -1.692 36.868 38.460 0.168 0.000 1.411 343 Y HN 0.836 nan 8.280 nan 0.000 0.459 344 S N 0.822 116.576 115.700 0.092 0.000 2.462 344 S HA 0.824 5.294 4.470 0.000 0.000 0.294 344 S C -0.629 173.869 174.600 -0.169 0.000 1.144 344 S CA -0.400 57.834 58.200 0.056 0.000 1.088 344 S CB 0.495 63.710 63.200 0.024 0.000 1.009 344 S HN 0.173 nan 8.310 nan 0.000 0.484 345 F N 2.803 122.693 119.950 -0.101 0.000 2.482 345 F HA 0.506 5.033 4.527 0.000 0.000 0.331 345 F C 0.653 176.272 175.800 -0.302 0.000 1.115 345 F CA -0.713 57.163 58.000 -0.205 0.000 0.955 345 F CB 1.827 40.740 39.000 -0.145 0.000 1.136 345 F HN 0.579 nan 8.300 nan 0.000 0.452 346 E N 1.380 121.277 120.200 -0.504 0.000 2.264 346 E HA 0.882 5.232 4.350 0.000 0.000 0.260 346 E C -1.148 175.034 176.600 -0.695 0.000 0.961 346 E CA -1.414 54.663 56.400 -0.539 0.000 0.834 346 E CB 2.352 31.714 29.700 -0.562 0.000 1.230 346 E HN 0.593 nan 8.360 nan 0.000 0.412 347 A N 0.852 123.502 122.820 -0.283 0.000 2.455 347 A HA 0.591 4.911 4.320 0.000 0.000 0.300 347 A C -0.778 176.869 177.584 0.105 0.000 1.040 347 A CA -0.473 51.538 52.037 -0.043 0.000 0.697 347 A CB 2.019 21.022 19.000 0.006 0.000 1.265 347 A HN 0.413 nan 8.150 nan 0.000 0.407 348 S N 0.049 115.884 115.700 0.224 0.000 2.993 348 S HA 0.494 4.964 4.470 0.000 0.000 0.281 348 S C 1.386 176.012 174.600 0.043 0.000 1.033 348 S CA 0.709 58.986 58.200 0.129 0.000 0.950 348 S CB 0.978 64.263 63.200 0.141 0.000 1.349 348 S HN 0.824 nan 8.310 nan 0.000 0.652 349 T N 1.045 115.579 114.554 -0.034 0.000 2.869 349 T HA -0.068 4.282 4.350 0.000 0.000 0.270 349 T C 0.864 175.465 174.700 -0.165 0.000 1.082 349 T CA 1.719 63.757 62.100 -0.104 0.000 1.123 349 T CB -0.311 68.464 68.868 -0.154 0.000 0.856 349 T HN 0.495 nan 8.240 nan 0.000 0.499 350 Q N -0.618 119.071 119.800 -0.185 0.000 2.135 350 Q HA 0.473 4.813 4.340 0.000 0.000 0.222 350 Q C 0.468 176.529 176.000 0.100 0.000 0.808 350 Q CA -0.178 55.452 55.803 -0.290 0.000 1.049 350 Q CB 1.632 29.849 28.738 -0.868 0.000 1.168 350 Q HN 0.430 nan 8.270 nan 0.000 0.483 351 G N 1.753 110.650 108.800 0.160 0.000 2.381 351 G HA2 -0.083 3.877 3.960 0.000 0.000 0.672 351 G HA3 -0.083 3.877 3.960 0.000 0.000 0.672 351 G C -3.181 171.874 174.900 0.257 0.000 1.324 351 G CA -1.167 44.074 45.100 0.235 0.000 0.975 351 G HN -0.064 nan 8.290 nan 0.000 0.593 352 P HA 0.721 nan 4.420 nan 0.000 0.279 352 P C -0.874 176.618 177.300 0.320 0.000 1.252 352 P CA -0.270 62.925 63.100 0.159 0.000 0.811 352 P CB 0.859 32.626 31.700 0.112 0.000 1.035 353 F N -2.324 117.746 119.950 0.201 0.000 2.665 353 F HA 0.513 5.040 4.527 0.000 0.000 0.308 353 F C -0.737 175.019 175.800 -0.074 0.000 1.112 353 F CA -1.491 56.576 58.000 0.111 0.000 0.972 353 F CB 1.012 40.030 39.000 0.031 0.000 1.295 353 F HN 0.003 nan 8.300 nan 0.000 0.440 354 K N 2.010 122.311 120.400 -0.166 0.000 2.412 354 K HA 0.197 4.517 4.320 0.000 0.000 0.281 354 K C -0.522 175.968 176.600 -0.183 0.000 1.027 354 K CA 0.144 56.060 56.287 -0.619 0.000 0.989 354 K CB 1.088 33.221 32.500 -0.611 0.000 0.935 354 K HN 0.890 nan 8.250 nan 0.000 0.475 355 T N 7.469 121.877 114.554 -0.243 0.000 2.769 355 T HA 0.150 4.500 4.350 0.000 0.000 0.293 355 T C -2.087 172.603 174.700 -0.017 0.000 0.931 355 T CA -0.984 61.093 62.100 -0.040 0.000 1.139 355 T CB 0.709 69.550 68.868 -0.046 0.000 0.881 355 T HN 0.433 nan 8.240 nan 0.000 0.532 356 P HA 0.328 nan 4.420 nan 0.000 0.275 356 P C -0.729 176.601 177.300 0.050 0.000 1.228 356 P CA -0.539 62.578 63.100 0.028 0.000 0.786 356 P CB 0.850 32.570 31.700 0.033 0.000 0.927 357 I N 1.267 121.867 120.570 0.049 0.000 2.648 357 I HA 0.278 4.448 4.170 0.000 0.000 0.304 357 I C 1.474 177.643 176.117 0.087 0.000 1.009 357 I CA -1.026 60.312 61.300 0.063 0.000 1.114 357 I CB 1.110 39.115 38.000 0.009 0.000 1.293 357 I HN 0.412 nan 8.210 nan 0.000 0.449 358 A N 4.134 127.047 122.820 0.154 0.000 1.855 358 A HA 0.458 4.778 4.320 0.000 0.000 0.213 358 A C 1.029 178.685 177.584 0.119 0.000 1.195 358 A CA 1.127 53.261 52.037 0.161 0.000 0.610 358 A CB -0.078 19.088 19.000 0.276 0.000 0.837 358 A HN 0.760 nan 8.150 nan 0.000 0.444 359 A N -1.679 121.193 122.820 0.087 0.000 2.354 359 A HA 0.654 4.974 4.320 0.000 0.000 0.321 359 A C 0.797 178.403 177.584 0.037 0.000 1.125 359 A CA -0.073 52.008 52.037 0.073 0.000 0.799 359 A CB 0.706 19.754 19.000 0.081 0.000 1.293 359 A HN 0.699 nan 8.150 nan 0.000 0.452 360 G N -0.375 108.466 108.800 0.068 0.000 3.229 360 G HA2 0.550 4.510 3.960 0.000 0.000 0.165 360 G HA3 0.550 4.510 3.960 0.000 0.000 0.165 360 G C 0.255 175.173 174.900 0.030 0.000 1.753 360 G CA 0.382 45.517 45.100 0.059 0.000 1.054 360 G HN 1.090 nan 8.290 nan 0.000 0.544 361 R N -3.386 117.137 120.500 0.038 0.000 2.832 361 R HA 0.510 4.850 4.340 0.000 0.000 0.283 361 R C -0.639 175.686 176.300 0.041 0.000 0.998 361 R CA 0.213 56.335 56.100 0.036 0.000 0.843 361 R CB 0.307 30.616 30.300 0.016 0.000 1.332 361 R HN 1.599 nan 8.270 nan 0.000 0.490 362 G N -0.609 108.211 108.800 0.034 0.000 2.398 362 G HA2 0.485 4.445 3.960 0.000 0.000 0.251 362 G HA3 0.485 4.445 3.960 0.000 0.000 0.251 362 G C -0.034 174.871 174.900 0.009 0.000 1.277 362 G CA 0.146 45.260 45.100 0.023 0.000 0.927 362 G HN 1.691 nan 8.290 nan 0.000 0.477 363 G N -1.405 107.401 108.800 0.010 0.000 2.451 363 G HA2 0.375 4.335 3.960 0.000 0.000 0.208 363 G HA3 0.375 4.335 3.960 0.000 0.000 0.208 363 G C 1.060 175.946 174.900 -0.023 0.000 1.248 363 G CA 1.318 46.418 45.100 -0.001 0.000 0.989 363 G HN 2.269 nan 8.290 nan 0.000 0.559 364 A N -0.600 122.192 122.820 -0.046 0.000 2.238 364 A HA 0.437 4.757 4.320 0.000 0.000 0.208 364 A C 1.307 178.840 177.584 -0.084 0.000 1.177 364 A CA 1.791 53.797 52.037 -0.052 0.000 0.804 364 A CB -0.186 18.784 19.000 -0.051 0.000 0.823 364 A HN 0.561 nan 8.150 nan 0.000 0.482 365 Q N 0.204 119.933 119.800 -0.119 0.000 2.470 365 Q HA 0.279 4.619 4.340 0.000 0.000 0.389 365 Q C -0.926 175.044 176.000 -0.050 0.000 0.888 365 Q CA -0.121 55.594 55.803 -0.147 0.000 1.106 365 Q CB 0.897 29.380 28.738 -0.426 0.000 1.368 365 Q HN 0.424 nan 8.270 nan 0.000 0.403 366 T N -1.195 113.349 114.554 -0.017 0.000 2.647 366 T HA 0.378 4.728 4.350 0.000 0.000 0.295 366 T C -1.285 173.426 174.700 0.018 0.000 1.126 366 T CA -0.616 61.488 62.100 0.007 0.000 1.040 366 T CB 1.291 70.166 68.868 0.013 0.000 1.472 366 T HN 0.173 nan 8.240 nan 0.000 0.500 367 D N 0.861 121.277 120.400 0.025 0.000 2.701 367 D HA 0.028 4.668 4.640 0.000 0.000 0.144 367 D C 0.118 176.443 176.300 0.042 0.000 0.978 367 D CA 0.506 54.523 54.000 0.029 0.000 0.869 367 D CB -1.122 39.692 40.800 0.024 0.000 0.800 367 D HN 0.792 nan 8.370 nan 0.000 0.425 368 E N -1.743 118.485 120.200 0.047 0.000 3.799 368 E HA -0.320 4.030 4.350 0.000 0.000 0.320 368 E C 0.882 177.516 176.600 0.057 0.000 0.760 368 E CA 0.971 57.407 56.400 0.059 0.000 1.153 368 E CB -0.744 29.001 29.700 0.075 0.000 1.589 368 E HN 0.483 nan 8.360 nan 0.000 0.448 369 N N -0.087 118.642 118.700 0.049 0.000 2.571 369 N HA 0.036 4.776 4.740 0.000 0.000 0.195 369 N C 1.531 177.068 175.510 0.045 0.000 1.040 369 N CA 0.777 53.855 53.050 0.046 0.000 0.890 369 N CB 0.004 38.516 38.487 0.041 0.000 1.233 369 N HN 0.218 nan 8.380 nan 0.000 0.435 370 Q N 0.973 120.800 119.800 0.044 0.000 2.269 370 Q HA 0.258 4.598 4.340 0.000 0.000 0.201 370 Q C 0.283 176.307 176.000 0.040 0.000 0.946 370 Q CA 0.082 55.912 55.803 0.044 0.000 0.877 370 Q CB 0.075 28.845 28.738 0.054 0.000 0.963 370 Q HN 0.248 nan 8.270 nan 0.000 0.472 371 A N 1.647 124.494 122.820 0.045 0.000 2.040 371 A HA -0.024 4.296 4.320 0.000 0.000 0.331 371 A C 0.577 178.192 177.584 0.052 0.000 0.907 371 A CA 0.740 52.808 52.037 0.052 0.000 1.454 371 A CB -0.781 18.256 19.000 0.062 0.000 0.658 371 A HN 0.426 nan 8.150 nan 0.000 0.276 372 A N 2.355 125.193 122.820 0.030 0.000 3.623 372 A HA 0.588 4.908 4.320 0.000 0.000 0.157 372 A C 0.491 178.108 177.584 0.054 0.000 1.850 372 A CA 0.400 52.435 52.037 -0.003 0.000 1.186 372 A CB -0.155 18.796 19.000 -0.081 0.000 1.824 372 A HN 0.754 nan 8.150 nan 0.000 0.710 373 D N -1.798 118.607 120.400 0.008 0.000 2.351 373 D HA 0.440 5.080 4.640 0.000 0.000 0.251 373 D C 0.826 177.169 176.300 0.072 0.000 1.137 373 D CA 1.641 55.735 54.000 0.156 0.000 0.879 373 D CB 0.793 41.705 40.800 0.188 0.000 1.181 373 D HN 1.102 nan 8.370 nan 0.000 0.448 374 G N 3.582 112.440 108.800 0.095 0.000 2.436 374 G HA2 -0.232 3.728 3.960 0.000 0.000 0.204 374 G HA3 -0.232 3.728 3.960 0.000 0.000 0.204 374 G C 0.133 175.084 174.900 0.085 0.000 1.026 374 G CA -0.335 44.802 45.100 0.062 0.000 0.658 374 G HN 0.604 nan 8.290 nan 0.000 0.499 375 N N 3.891 122.649 118.700 0.097 0.000 2.420 375 N HA 0.458 5.198 4.740 0.000 0.000 0.262 375 N C -2.283 173.294 175.510 0.112 0.000 1.144 375 N CA -0.784 52.345 53.050 0.131 0.000 0.952 375 N CB 1.363 39.922 38.487 0.121 0.000 1.081 375 N HN 0.291 nan 8.380 nan 0.000 0.480 376 P HA 0.072 nan 4.420 nan 0.000 0.271 376 P C -0.966 176.320 177.300 -0.024 0.000 1.218 376 P CA -0.065 63.045 63.100 0.016 0.000 0.780 376 P CB 1.099 32.840 31.700 0.069 0.000 0.901 377 R N 2.483 122.844 120.500 -0.233 0.000 2.476 377 R HA 0.394 4.734 4.340 0.000 0.000 0.305 377 R C -1.103 174.920 176.300 -0.462 0.000 0.965 377 R CA -0.623 55.327 56.100 -0.250 0.000 0.867 377 R CB 0.718 30.938 30.300 -0.133 0.000 1.176 377 R HN 0.388 nan 8.270 nan 0.000 0.447 378 Y N 1.878 121.843 120.300 -0.558 0.000 2.330 378 Y HA 0.578 5.128 4.550 0.000 0.000 0.336 378 Y C 0.260 176.094 175.900 -0.110 0.000 1.036 378 Y CA -0.544 57.325 58.100 -0.385 0.000 1.125 378 Y CB 2.238 40.334 38.460 -0.606 0.000 1.194 378 Y HN 0.624 nan 8.280 nan 0.000 0.469 379 A N 4.763 127.672 122.820 0.149 0.000 2.355 379 A HA 0.910 5.230 4.320 0.000 0.000 0.317 379 A C -1.340 176.372 177.584 0.213 0.000 1.094 379 A CA -0.517 51.543 52.037 0.038 0.000 0.764 379 A CB 0.462 19.431 19.000 -0.052 0.000 1.230 379 A HN 0.667 nan 8.150 nan 0.000 0.448 380 F N -0.131 119.835 119.950 0.026 0.000 2.741 380 F HA 0.818 5.345 4.527 0.000 0.000 0.313 380 F C 0.310 176.140 175.800 0.051 0.000 1.153 380 F CA -0.612 57.405 58.000 0.029 0.000 0.931 380 F CB 0.606 39.637 39.000 0.051 0.000 1.335 380 F HN 0.797 nan 8.300 nan 0.000 0.460 381 G N 0.246 109.197 108.800 0.251 0.000 2.606 381 G HA2 0.447 4.407 3.960 0.000 0.000 0.262 381 G HA3 0.447 4.407 3.960 0.000 0.000 0.262 381 G C 0.105 175.101 174.900 0.160 0.000 1.394 381 G CA -1.062 44.117 45.100 0.131 0.000 1.044 381 G HN 0.737 nan 8.290 nan 0.000 0.553 382 R N -0.806 119.728 120.500 0.057 0.000 2.148 382 R HA -0.010 4.330 4.340 0.000 0.000 0.223 382 R C 2.556 178.858 176.300 0.003 0.000 1.088 382 R CA 0.826 56.951 56.100 0.041 0.000 0.985 382 R CB -0.066 30.224 30.300 -0.016 0.000 0.880 382 R HN 0.480 nan 8.270 nan 0.000 0.451 383 Q N -0.098 119.603 119.800 -0.166 0.000 2.291 383 Q HA -0.114 4.226 4.340 0.000 0.000 0.205 383 Q C 0.193 175.707 176.000 -0.811 0.000 0.970 383 Q CA 1.163 56.691 55.803 -0.458 0.000 0.876 383 Q CB 0.244 28.539 28.738 -0.739 0.000 0.935 383 Q HN 0.607 nan 8.270 nan 0.000 0.455 384 H N -2.099 116.775 119.070 -0.327 0.000 2.505 384 H HA 0.337 4.893 4.556 0.000 0.000 0.260 384 H C 0.564 175.744 175.328 -0.246 0.000 1.168 384 H CA 0.369 55.913 56.048 -0.841 0.000 0.945 384 H CB 0.951 30.096 29.762 -1.028 0.000 1.800 384 H HN 0.289 nan 8.280 nan 0.000 0.586 385 G N 0.225 109.127 108.800 0.171 0.000 2.229 385 G HA2 -0.257 3.703 3.960 0.000 0.000 0.189 385 G HA3 -0.257 3.703 3.960 0.000 0.000 0.189 385 G C 0.190 175.383 174.900 0.487 0.000 1.000 385 G CA -0.290 45.010 45.100 0.333 0.000 0.663 385 G HN 0.485 nan 8.290 nan 0.000 0.493 386 Q N 1.089 121.148 119.800 0.433 0.000 2.299 386 Q HA 0.512 4.852 4.340 0.000 0.000 0.246 386 Q C 0.545 176.652 176.000 0.177 0.000 0.935 386 Q CA -0.567 55.384 55.803 0.246 0.000 0.887 386 Q CB 0.545 29.337 28.738 0.090 0.000 1.223 386 Q HN 0.241 nan 8.270 nan 0.000 0.439 387 K N 1.875 122.349 120.400 0.124 0.000 2.440 387 K HA -0.090 4.230 4.320 0.000 0.000 0.275 387 K C 0.845 177.471 176.600 0.044 0.000 1.082 387 K CA 0.796 57.135 56.287 0.087 0.000 1.135 387 K CB 0.381 32.916 32.500 0.059 0.000 0.864 387 K HN 0.853 nan 8.250 nan 0.000 0.479 388 T N -0.377 114.185 114.554 0.014 0.000 2.881 388 T HA -0.149 4.201 4.350 0.000 0.000 0.270 388 T C 1.498 176.176 174.700 -0.035 0.000 1.068 388 T CA 1.671 63.746 62.100 -0.042 0.000 1.131 388 T CB -0.344 68.443 68.868 -0.136 0.000 0.871 388 T HN 0.693 nan 8.240 nan 0.000 0.479 389 T N -1.082 113.461 114.554 -0.018 0.000 3.129 389 T HA 0.186 4.536 4.350 0.000 0.000 0.251 389 T C 0.668 175.360 174.700 -0.014 0.000 1.117 389 T CA -0.276 61.813 62.100 -0.018 0.000 1.034 389 T CB -0.478 68.383 68.868 -0.012 0.000 0.968 389 T HN 0.250 nan 8.240 nan 0.000 0.526 390 T N 3.829 118.377 114.554 -0.010 0.000 2.884 390 T HA 0.430 4.780 4.350 0.000 0.000 0.298 390 T C 0.631 175.320 174.700 -0.018 0.000 0.998 390 T CA -0.313 61.781 62.100 -0.010 0.000 1.124 390 T CB 1.062 69.927 68.868 -0.004 0.000 0.931 390 T HN 0.615 nan 8.240 nan 0.000 0.531 391 T N 0.331 114.874 114.554 -0.019 0.000 2.897 391 T HA 0.781 5.131 4.350 0.000 0.000 0.278 391 T C 0.426 175.112 174.700 -0.023 0.000 0.981 391 T CA -0.223 61.863 62.100 -0.022 0.000 0.973 391 T CB 1.256 70.112 68.868 -0.021 0.000 1.092 391 T HN 1.114 nan 8.240 nan 0.000 0.543 392 G N 0.359 109.144 108.800 -0.025 0.000 2.675 392 G HA2 -0.084 3.876 3.960 0.000 0.000 0.686 392 G HA3 -0.084 3.876 3.960 0.000 0.000 0.686 392 G C -0.311 174.571 174.900 -0.029 0.000 1.215 392 G CA -0.582 44.503 45.100 -0.026 0.000 0.777 392 G HN 0.792 nan 8.290 nan 0.000 0.638 393 E N 0.135 120.317 120.200 -0.030 0.000 2.370 393 E HA 0.176 4.526 4.350 0.000 0.000 0.194 393 E C 0.350 176.927 176.600 -0.037 0.000 1.057 393 E CA 0.114 56.495 56.400 -0.032 0.000 1.011 393 E CB 0.389 30.071 29.700 -0.029 0.000 1.132 393 E HN 0.416 nan 8.360 nan 0.000 0.450 394 T N 3.675 118.204 114.554 -0.041 0.000 2.767 394 T HA 0.243 4.593 4.350 0.000 0.000 0.288 394 T C -1.943 172.712 174.700 -0.074 0.000 0.963 394 T CA -1.340 60.730 62.100 -0.051 0.000 1.019 394 T CB 1.433 70.275 68.868 -0.044 0.000 0.923 394 T HN 0.107 nan 8.240 nan 0.000 0.468 395 P HA 0.331 nan 4.420 nan 0.000 0.274 395 P C -0.521 176.631 177.300 -0.246 0.000 1.256 395 P CA -0.483 62.517 63.100 -0.166 0.000 0.795 395 P CB 0.868 32.475 31.700 -0.154 0.000 1.038 396 E N 0.508 120.426 120.200 -0.471 0.000 2.242 396 E HA 0.405 4.755 4.350 0.000 0.000 0.275 396 E C -0.489 175.660 176.600 -0.753 0.000 1.002 396 E CA -0.415 55.651 56.400 -0.557 0.000 0.841 396 E CB 0.884 30.198 29.700 -0.643 0.000 1.109 396 E HN 0.283 nan 8.360 nan 0.000 0.394 397 R N 2.008 122.333 120.500 -0.292 0.000 2.817 397 R HA 0.697 5.037 4.340 0.000 0.000 0.268 397 R C -1.223 175.203 176.300 0.208 0.000 1.027 397 R CA -0.948 55.102 56.100 -0.084 0.000 0.928 397 R CB 1.421 31.670 30.300 -0.084 0.000 1.228 397 R HN 0.590 nan 8.270 nan 0.000 0.469 398 F N -2.542 117.467 119.950 0.097 0.000 2.708 398 F HA 0.400 4.927 4.527 0.000 0.000 0.309 398 F C -1.629 174.158 175.800 -0.022 0.000 1.120 398 F CA -0.756 57.215 58.000 -0.048 0.000 0.978 398 F CB 1.593 40.419 39.000 -0.289 0.000 1.283 398 F HN 0.228 nan 8.300 nan 0.000 0.439 399 T N 3.201 117.821 114.554 0.110 0.000 2.756 399 T HA 0.255 4.605 4.350 0.000 0.000 0.290 399 T C -1.428 173.410 174.700 0.230 0.000 0.985 399 T CA -0.266 61.894 62.100 0.100 0.000 0.955 399 T CB 0.246 69.161 68.868 0.078 0.000 0.930 399 T HN 0.616 nan 8.240 nan 0.000 0.451 400 Y N 4.961 125.409 120.300 0.246 0.000 2.480 400 Y HA 0.408 4.958 4.550 0.000 0.000 0.341 400 Y C -0.187 175.831 175.900 0.196 0.000 1.031 400 Y CA -0.728 57.559 58.100 0.313 0.000 1.295 400 Y CB 0.116 38.847 38.460 0.450 0.000 1.162 400 Y HN 0.546 nan 8.280 nan 0.000 0.523 401 I N 7.428 127.893 120.570 -0.175 0.000 2.388 401 I HA 0.345 4.515 4.170 0.000 0.000 0.281 401 I C 0.253 176.230 176.117 -0.233 0.000 1.046 401 I CA -0.786 60.462 61.300 -0.087 0.000 1.187 401 I CB 0.484 38.451 38.000 -0.054 0.000 1.351 401 I HN 0.759 nan 8.210 nan 0.000 0.472 402 A N 4.412 127.255 122.820 0.038 0.000 2.520 402 A HA 0.015 4.335 4.320 0.000 0.000 0.235 402 A C 0.839 178.411 177.584 -0.020 0.000 1.065 402 A CA 0.399 52.499 52.037 0.105 0.000 0.764 402 A CB -0.140 19.031 19.000 0.286 0.000 1.002 402 A HN 0.817 nan 8.150 nan 0.000 0.502 403 H N 0.019 119.082 119.070 -0.012 0.000 2.524 403 H HA -0.032 4.524 4.556 0.000 0.000 0.282 403 H C 1.031 176.271 175.328 -0.147 0.000 1.016 403 H CA 0.903 56.827 56.048 -0.207 0.000 1.270 403 H CB 0.170 29.644 29.762 -0.481 0.000 1.394 403 H HN 0.816 nan 8.280 nan 0.000 0.568 404 Q N 1.611 121.522 119.800 0.185 0.000 2.304 404 Q HA 0.035 4.375 4.340 0.000 0.000 0.260 404 Q C -0.994 175.125 176.000 0.198 0.000 0.965 404 Q CA -0.399 55.560 55.803 0.260 0.000 0.898 404 Q CB 0.952 29.837 28.738 0.245 0.000 1.196 404 Q HN 0.125 nan 8.270 nan 0.000 0.402 405 D N 4.374 124.910 120.400 0.225 0.000 2.500 405 D HA 0.097 4.737 4.640 0.000 0.000 0.219 405 D C 0.041 176.422 176.300 0.135 0.000 1.137 405 D CA 0.042 54.146 54.000 0.174 0.000 0.946 405 D CB 0.965 41.893 40.800 0.213 0.000 1.022 405 D HN 0.773 nan 8.370 nan 0.000 0.518 406 T N -2.038 112.582 114.554 0.111 0.000 3.262 406 T HA 0.350 4.700 4.350 0.000 0.000 0.300 406 T C 0.855 175.594 174.700 0.064 0.000 0.959 406 T CA -0.622 61.533 62.100 0.091 0.000 0.936 406 T CB 0.597 69.528 68.868 0.105 0.000 1.169 406 T HN 0.178 nan 8.240 nan 0.000 0.532 407 G N 1.138 109.969 108.800 0.052 0.000 2.531 407 G HA2 0.710 4.670 3.960 0.000 0.000 0.281 407 G HA3 0.710 4.670 3.960 0.000 0.000 0.281 407 G C -0.707 174.196 174.900 0.005 0.000 1.382 407 G CA -0.870 44.235 45.100 0.008 0.000 1.045 407 G HN 0.252 nan 8.290 nan 0.000 0.533 408 R N -1.692 118.794 120.500 -0.023 0.000 2.795 408 R HA 0.301 4.641 4.340 0.000 0.000 0.275 408 R C -1.932 174.398 176.300 0.050 0.000 0.981 408 R CA -0.901 55.201 56.100 0.003 0.000 0.917 408 R CB 1.694 31.959 30.300 -0.059 0.000 1.202 408 R HN 0.526 nan 8.270 nan 0.000 0.469 409 Y N 3.484 123.751 120.300 -0.055 0.000 2.842 409 Y HA 0.340 4.890 4.550 0.000 0.000 0.334 409 Y C -1.856 174.017 175.900 -0.045 0.000 1.019 409 Y CA -2.737 55.332 58.100 -0.052 0.000 1.258 409 Y CB 1.114 39.572 38.460 -0.003 0.000 1.106 409 Y HN 0.394 nan 8.280 nan 0.000 0.545 410 P HA -0.210 nan 4.420 nan 0.000 0.216 410 P C 0.992 178.098 177.300 -0.324 0.000 1.154 410 P CA 1.805 64.740 63.100 -0.274 0.000 0.865 410 P CB 0.517 32.044 31.700 -0.289 0.000 0.789 411 E N -0.942 118.872 120.200 -0.643 0.000 2.219 411 E HA -0.120 4.230 4.350 0.000 0.000 0.198 411 E C 2.061 178.503 176.600 -0.265 0.000 0.998 411 E CA 1.526 57.601 56.400 -0.542 0.000 0.818 411 E CB -1.150 28.039 29.700 -0.852 0.000 0.741 411 E HN 0.306 nan 8.360 nan 0.000 0.477 412 G N -0.148 108.535 108.800 -0.195 0.000 3.042 412 G HA2 -0.038 3.922 3.960 0.000 0.000 0.212 412 G HA3 -0.038 3.922 3.960 0.000 0.000 0.212 412 G C 0.075 175.141 174.900 0.276 0.000 1.166 412 G CA -0.282 44.926 45.100 0.181 0.000 0.767 412 G HN 0.066 nan 8.290 nan 0.000 0.546 413 D N -0.029 120.461 120.400 0.150 0.000 2.377 413 D HA 0.493 5.133 4.640 0.000 0.000 0.245 413 D C -0.097 176.442 176.300 0.398 0.000 1.196 413 D CA 0.194 54.292 54.000 0.164 0.000 0.962 413 D CB 1.211 42.033 40.800 0.037 0.000 1.127 413 D HN 0.439 nan 8.370 nan 0.000 0.471 414 W N -0.942 120.462 121.300 0.173 0.000 3.079 414 W HA 0.504 5.164 4.660 0.000 0.000 0.329 414 W C -2.561 173.966 176.519 0.013 0.000 1.181 414 W CA -0.781 56.642 57.345 0.131 0.000 1.160 414 W CB 0.135 29.634 29.460 0.066 0.000 1.423 414 W HN 0.176 nan 8.180 nan 0.000 0.566 415 I N 3.250 123.886 120.570 0.110 0.000 2.533 415 I HA 0.344 4.514 4.170 0.000 0.000 0.290 415 I C -0.509 175.696 176.117 0.147 0.000 1.056 415 I CA -1.136 60.123 61.300 -0.068 0.000 1.057 415 I CB 2.193 39.951 38.000 -0.403 0.000 1.240 415 I HN 0.615 nan 8.210 nan 0.000 0.423 416 Q N 5.306 125.226 119.800 0.200 0.000 2.413 416 Q HA 0.423 4.763 4.340 0.000 0.000 0.276 416 Q C -0.887 175.204 176.000 0.153 0.000 1.099 416 Q CA -0.928 54.998 55.803 0.206 0.000 0.814 416 Q CB 2.189 31.113 28.738 0.310 0.000 1.379 416 Q HN 0.558 nan 8.270 nan 0.000 0.436 417 N N 1.264 120.030 118.700 0.111 0.000 2.353 417 N HA -0.118 4.622 4.740 0.000 0.000 0.248 417 N C 0.717 176.315 175.510 0.147 0.000 1.240 417 N CA 0.118 53.225 53.050 0.095 0.000 0.862 417 N CB 0.649 39.176 38.487 0.067 0.000 1.086 417 N HN 0.833 nan 8.380 nan 0.000 0.453 418 I N 3.794 124.431 120.570 0.111 0.000 2.315 418 I HA -0.278 3.892 4.170 0.000 0.000 0.251 418 I C 1.672 177.881 176.117 0.154 0.000 1.125 418 I CA 1.313 62.682 61.300 0.115 0.000 1.392 418 I CB -0.463 37.577 38.000 0.065 0.000 1.065 418 I HN 0.561 nan 8.210 nan 0.000 0.424 419 N N 0.451 119.235 118.700 0.139 0.000 2.430 419 N HA -0.234 4.506 4.740 0.000 0.000 0.186 419 N C 0.753 176.410 175.510 0.245 0.000 1.032 419 N CA 0.814 53.951 53.050 0.145 0.000 0.893 419 N CB -0.396 38.147 38.487 0.094 0.000 0.957 419 N HN 0.399 nan 8.380 nan 0.000 0.442 420 F N 1.216 121.207 119.950 0.069 0.000 2.907 420 F HA -0.269 4.258 4.527 0.000 0.000 0.244 420 F C -0.492 175.370 175.800 0.104 0.000 1.007 420 F CA -0.006 58.052 58.000 0.096 0.000 0.872 420 F CB -1.510 37.559 39.000 0.114 0.000 0.767 420 F HN -0.016 nan 8.300 nan 0.000 0.837 421 N N 3.356 122.064 118.700 0.013 0.000 2.462 421 N HA 0.482 5.222 4.740 0.000 0.000 0.242 421 N C -0.165 175.273 175.510 -0.119 0.000 1.010 421 N CA -0.190 52.852 53.050 -0.015 0.000 0.939 421 N CB 0.922 39.418 38.487 0.015 0.000 1.127 421 N HN 0.540 nan 8.380 nan 0.000 0.509 422 L N 0.381 121.507 121.223 -0.161 0.000 2.301 422 L HA 0.795 5.135 4.340 0.000 0.000 0.264 422 L C -1.855 174.948 176.870 -0.112 0.000 1.016 422 L CA -1.750 52.965 54.840 -0.209 0.000 0.821 422 L CB 0.503 42.322 42.059 -0.399 0.000 1.346 422 L HN 0.210 nan 8.230 nan 0.000 0.429 423 P HA 0.018 nan 4.420 nan 0.000 0.262 423 P C -0.251 176.960 177.300 -0.148 0.000 1.182 423 P CA -0.100 62.907 63.100 -0.155 0.000 0.761 423 P CB 1.427 33.055 31.700 -0.119 0.000 0.795 424 V N 3.688 123.491 119.914 -0.185 0.000 2.655 424 V HA 0.040 4.160 4.120 0.000 0.000 0.300 424 V C 0.458 176.487 176.094 -0.108 0.000 1.044 424 V CA 0.300 62.511 62.300 -0.148 0.000 1.095 424 V CB 0.588 32.312 31.823 -0.164 0.000 0.952 424 V HN 0.796 nan 8.190 nan 0.000 0.485 425 T N 5.925 120.435 114.554 -0.073 0.000 2.904 425 T HA 0.095 4.445 4.350 0.000 0.000 0.290 425 T C 1.210 175.881 174.700 -0.049 0.000 1.018 425 T CA 0.415 62.483 62.100 -0.054 0.000 1.075 425 T CB 0.843 69.690 68.868 -0.035 0.000 0.986 425 T HN 0.912 nan 8.240 nan 0.000 0.523 426 N N 1.692 120.365 118.700 -0.044 0.000 2.094 426 N HA -0.162 4.578 4.740 0.000 0.000 0.191 426 N C 1.265 176.759 175.510 -0.026 0.000 1.023 426 N CA 1.668 54.695 53.050 -0.038 0.000 0.857 426 N CB -0.079 38.389 38.487 -0.032 0.000 1.013 426 N HN 0.514 nan 8.380 nan 0.000 0.426 427 D N -0.719 119.669 120.400 -0.021 0.000 2.312 427 D HA -0.034 4.606 4.640 0.000 0.000 0.211 427 D C 0.411 176.705 176.300 -0.010 0.000 0.964 427 D CA 0.697 54.689 54.000 -0.013 0.000 0.877 427 D CB -0.306 40.488 40.800 -0.009 0.000 0.924 427 D HN 0.530 nan 8.370 nan 0.000 0.515 428 N N -0.190 118.503 118.700 -0.011 0.000 2.235 428 N HA 0.085 4.825 4.740 0.000 0.000 0.209 428 N C -0.347 175.169 175.510 0.010 0.000 1.122 428 N CA -0.199 52.851 53.050 0.001 0.000 0.845 428 N CB 1.690 40.178 38.487 0.001 0.000 1.004 428 N HN -0.124 nan 8.380 nan 0.000 0.499 429 V N 0.940 120.853 119.914 -0.002 0.000 3.049 429 V HA 0.517 4.637 4.120 0.000 0.000 0.309 429 V C -1.894 174.197 176.094 -0.006 0.000 1.148 429 V CA -0.891 61.419 62.300 0.018 0.000 0.990 429 V CB 2.490 34.306 31.823 -0.012 0.000 1.039 429 V HN -0.112 nan 8.190 nan 0.000 0.430 430 L N 5.839 127.054 121.223 -0.014 0.000 2.372 430 L HA 0.644 4.984 4.340 0.000 0.000 0.273 430 L C -0.885 176.005 176.870 0.033 0.000 0.989 430 L CA 0.083 54.884 54.840 -0.066 0.000 0.841 430 L CB 1.184 43.092 42.059 -0.251 0.000 1.225 430 L HN 0.632 nan 8.230 nan 0.000 0.414 431 L N 5.688 126.971 121.223 0.100 0.000 2.400 431 L HA 0.551 4.891 4.340 0.000 0.000 0.264 431 L C -1.463 175.541 176.870 0.224 0.000 1.061 431 L CA -1.795 53.151 54.840 0.177 0.000 0.799 431 L CB 0.834 42.936 42.059 0.071 0.000 1.240 431 L HN 0.379 nan 8.230 nan 0.000 0.461 432 P HA -0.012 nan 4.420 nan 0.000 0.242 432 P C 0.694 178.010 177.300 0.028 0.000 1.197 432 P CA 0.714 63.848 63.100 0.056 0.000 0.765 432 P CB 0.228 31.918 31.700 -0.017 0.000 0.936 433 T N -3.043 111.536 114.554 0.042 0.000 3.014 433 T HA 0.078 4.428 4.350 0.000 0.000 0.250 433 T C 0.485 175.197 174.700 0.020 0.000 1.060 433 T CA 0.034 62.144 62.100 0.016 0.000 1.040 433 T CB -0.135 68.737 68.868 0.006 0.000 0.971 433 T HN 0.046 nan 8.240 nan 0.000 0.497 434 D N 3.431 123.855 120.400 0.041 0.000 2.348 434 D HA 0.244 4.884 4.640 0.000 0.000 0.253 434 D C -2.549 173.772 176.300 0.034 0.000 1.161 434 D CA -1.569 52.450 54.000 0.032 0.000 0.876 434 D CB 1.234 42.055 40.800 0.035 0.000 1.160 434 D HN 0.131 nan 8.370 nan 0.000 0.459 435 P HA 0.131 nan 4.420 nan 0.000 0.271 435 P C -0.275 177.034 177.300 0.016 0.000 1.216 435 P CA -0.281 62.824 63.100 0.008 0.000 0.776 435 P CB 0.841 32.538 31.700 -0.003 0.000 0.881 436 I N 2.308 122.887 120.570 0.016 0.000 2.377 436 I HA 0.300 4.470 4.170 0.000 0.000 0.293 436 I C 1.409 177.533 176.117 0.011 0.000 0.987 436 I CA -0.094 61.221 61.300 0.024 0.000 1.185 436 I CB 0.365 38.389 38.000 0.040 0.000 1.341 436 I HN 0.706 nan 8.210 nan 0.000 0.455 437 G N 4.746 113.554 108.800 0.013 0.000 2.179 437 G HA2 -0.185 3.775 3.960 0.000 0.000 0.257 437 G HA3 -0.185 3.775 3.960 0.000 0.000 0.257 437 G C 1.059 175.959 174.900 -0.001 0.000 1.010 437 G CA 0.728 45.833 45.100 0.009 0.000 0.736 437 G HN 1.595 nan 8.290 nan 0.000 0.513 438 G N -1.595 107.203 108.800 -0.003 0.000 2.189 438 G HA2 -0.288 3.672 3.960 0.000 0.000 0.267 438 G HA3 -0.288 3.672 3.960 0.000 0.000 0.267 438 G C 0.465 175.352 174.900 -0.021 0.000 0.975 438 G CA 1.138 46.233 45.100 -0.010 0.000 0.644 438 G HN 0.990 nan 8.290 nan 0.000 0.537 439 K N 0.760 121.146 120.400 -0.024 0.000 2.258 439 K HA 0.493 4.813 4.320 0.000 0.000 0.284 439 K C 1.407 177.986 176.600 -0.034 0.000 1.051 439 K CA 0.031 56.294 56.287 -0.040 0.000 0.923 439 K CB 1.102 33.576 32.500 -0.044 0.000 1.046 439 K HN 0.101 nan 8.250 nan 0.000 0.474 440 T N 0.856 115.387 114.554 -0.038 0.000 2.915 440 T HA -0.073 4.277 4.350 0.000 0.000 0.269 440 T C 1.473 176.153 174.700 -0.033 0.000 1.071 440 T CA 1.569 63.651 62.100 -0.031 0.000 1.132 440 T CB 0.157 69.007 68.868 -0.030 0.000 0.878 440 T HN 0.771 nan 8.240 nan 0.000 0.479 441 G N 0.262 109.036 108.800 -0.042 0.000 3.126 441 G HA2 0.311 4.271 3.960 0.000 0.000 0.224 441 G HA3 0.311 4.271 3.960 0.000 0.000 0.224 441 G C 0.180 175.041 174.900 -0.065 0.000 1.142 441 G CA -0.221 44.851 45.100 -0.046 0.000 0.759 441 G HN 0.318 nan 8.290 nan 0.000 0.550 442 I N 2.287 122.820 120.570 -0.062 0.000 2.406 442 I HA 0.317 4.487 4.170 0.000 0.000 0.290 442 I C -0.740 175.341 176.117 -0.059 0.000 0.999 442 I CA -1.230 60.021 61.300 -0.081 0.000 1.124 442 I CB 1.056 39.020 38.000 -0.061 0.000 1.289 442 I HN 0.210 nan 8.210 nan 0.000 0.441 443 N N 5.067 123.715 118.700 -0.086 0.000 2.619 443 N HA 0.189 4.929 4.740 0.000 0.000 0.294 443 N C 0.781 176.275 175.510 -0.027 0.000 1.279 443 N CA -0.566 52.465 53.050 -0.031 0.000 0.867 443 N CB 1.429 39.894 38.487 -0.038 0.000 1.329 443 N HN 0.531 nan 8.380 nan 0.000 0.557 444 Y N -0.308 119.960 120.300 -0.053 0.000 2.165 444 Y HA -0.182 4.368 4.550 0.000 0.000 0.286 444 Y C 2.513 178.398 175.900 -0.025 0.000 1.155 444 Y CA 2.247 60.313 58.100 -0.056 0.000 1.164 444 Y CB -1.313 37.078 38.460 -0.115 0.000 0.978 444 Y HN 0.653 nan 8.280 nan 0.000 0.513 445 T N -1.403 112.558 114.554 -0.988 0.000 2.869 445 T HA -0.248 4.102 4.350 0.000 0.000 0.270 445 T C 1.624 176.325 174.700 0.002 0.000 1.082 445 T CA 1.629 63.385 62.100 -0.572 0.000 1.123 445 T CB -0.733 67.924 68.868 -0.352 0.000 0.856 445 T HN 0.524 nan 8.240 nan 0.000 0.499 446 N N 1.586 120.159 118.700 -0.212 0.000 2.309 446 N HA 0.022 4.762 4.740 0.000 0.000 0.182 446 N C 1.697 177.156 175.510 -0.086 0.000 1.018 446 N CA 1.584 54.392 53.050 -0.402 0.000 0.876 446 N CB -0.132 38.094 38.487 -0.434 0.000 0.972 446 N HN 0.829 nan 8.380 nan 0.000 0.434 447 I N -4.366 116.238 120.570 0.057 0.000 4.081 447 I HA 0.281 4.451 4.170 0.000 0.000 0.333 447 I C -0.023 176.244 176.117 0.250 0.000 1.413 447 I CA -0.554 60.823 61.300 0.128 0.000 1.110 447 I CB -0.079 37.988 38.000 0.112 0.000 1.082 447 I HN -0.308 nan 8.210 nan 0.000 0.402 448 F N 3.668 123.671 119.950 0.088 0.000 2.459 448 F HA 0.430 4.957 4.527 0.000 0.000 0.346 448 F C 0.154 176.033 175.800 0.131 0.000 1.128 448 F CA -0.369 57.712 58.000 0.135 0.000 1.268 448 F CB 0.537 39.596 39.000 0.097 0.000 1.161 448 F HN 0.138 nan 8.300 nan 0.000 0.583 449 N N 2.169 120.645 118.700 -0.373 0.000 2.519 449 N HA 0.156 4.896 4.740 0.000 0.000 0.291 449 N C -0.652 174.602 175.510 -0.426 0.000 1.107 449 N CA -0.145 52.754 53.050 -0.253 0.000 0.904 449 N CB 1.482 39.960 38.487 -0.015 0.000 1.500 449 N HN 0.641 nan 8.380 nan 0.000 0.510 450 T N -0.044 114.347 114.554 -0.272 0.000 3.228 450 T HA 0.145 4.495 4.350 0.000 0.000 0.278 450 T C 0.285 175.028 174.700 0.072 0.000 1.014 450 T CA -0.280 61.713 62.100 -0.179 0.000 0.904 450 T CB -0.644 68.113 68.868 -0.186 0.000 1.110 450 T HN 0.379 nan 8.240 nan 0.000 0.541 451 Y N 2.099 122.410 120.300 0.019 0.000 2.411 451 Y HA 0.543 5.093 4.550 0.000 0.000 0.333 451 Y C 0.574 176.427 175.900 -0.080 0.000 1.186 451 Y CA 0.280 58.343 58.100 -0.061 0.000 1.381 451 Y CB 0.310 38.657 38.460 -0.189 0.000 1.273 451 Y HN 0.481 nan 8.280 nan 0.000 0.546 452 G N 5.069 113.476 108.800 -0.654 0.000 2.495 452 G HA2 0.213 4.173 3.960 0.000 0.000 0.294 452 G HA3 0.213 4.173 3.960 0.000 0.000 0.294 452 G C -2.533 172.065 174.900 -0.502 0.000 1.397 452 G CA -0.789 44.019 45.100 -0.487 0.000 0.790 452 G HN 0.324 nan 8.290 nan 0.000 0.486 453 P HA -0.051 nan 4.420 nan 0.000 0.224 453 P C 1.101 178.293 177.300 -0.180 0.000 1.142 453 P CA 0.878 63.843 63.100 -0.225 0.000 0.778 453 P CB 0.252 31.867 31.700 -0.143 0.000 0.764 454 L N -1.425 119.693 121.223 -0.175 0.000 2.693 454 L HA 0.166 4.506 4.340 0.000 0.000 0.235 454 L C 0.664 177.469 176.870 -0.107 0.000 1.127 454 L CA -0.035 54.734 54.840 -0.120 0.000 0.914 454 L CB -0.308 41.695 42.059 -0.093 0.000 1.193 454 L HN -0.194 nan 8.230 nan 0.000 0.502 455 T N 1.561 116.023 114.554 -0.154 0.000 2.901 455 T HA 0.491 4.841 4.350 0.000 0.000 0.301 455 T C 0.180 174.871 174.700 -0.015 0.000 1.012 455 T CA -0.139 61.921 62.100 -0.067 0.000 1.135 455 T CB 1.420 70.235 68.868 -0.088 0.000 0.936 455 T HN 0.269 nan 8.240 nan 0.000 0.539 456 A N 3.855 126.696 122.820 0.035 0.000 2.374 456 A HA 0.860 5.180 4.320 0.000 0.000 0.305 456 A C -0.642 176.991 177.584 0.083 0.000 1.053 456 A CA -0.893 51.168 52.037 0.039 0.000 0.726 456 A CB 0.843 19.847 19.000 0.006 0.000 1.229 456 A HN 0.919 nan 8.150 nan 0.000 0.431 457 L N -0.493 120.783 121.223 0.088 0.000 2.630 457 L HA 0.743 5.083 4.340 0.000 0.000 0.258 457 L C -1.267 175.654 176.870 0.086 0.000 1.072 457 L CA -1.288 53.619 54.840 0.112 0.000 0.885 457 L CB 1.717 43.878 42.059 0.171 0.000 1.502 457 L HN 0.482 nan 8.230 nan 0.000 0.406 458 N N 0.854 119.610 118.700 0.093 0.000 2.404 458 N HA 0.343 5.083 4.740 0.000 0.000 0.297 458 N C -1.122 174.433 175.510 0.075 0.000 1.163 458 N CA -0.574 52.522 53.050 0.077 0.000 0.864 458 N CB 1.488 40.025 38.487 0.084 0.000 1.247 458 N HN 0.724 nan 8.380 nan 0.000 0.510 459 N N -0.176 118.555 118.700 0.053 0.000 2.444 459 N HA 0.089 4.829 4.740 0.000 0.000 0.255 459 N C -0.229 175.310 175.510 0.048 0.000 1.255 459 N CA -0.488 52.585 53.050 0.038 0.000 0.933 459 N CB 0.660 39.149 38.487 0.004 0.000 1.143 459 N HN 0.322 nan 8.380 nan 0.000 0.453 460 V N 0.598 120.542 119.914 0.049 0.000 2.872 460 V HA 0.374 4.494 4.120 0.000 0.000 0.307 460 V C -2.062 174.054 176.094 0.037 0.000 1.072 460 V CA -1.133 61.203 62.300 0.060 0.000 1.148 460 V CB 0.107 31.970 31.823 0.066 0.000 0.954 460 V HN 0.723 nan 8.190 nan 0.000 0.490 461 P HA 0.462 nan 4.420 nan 0.000 0.282 461 P C -2.927 174.356 177.300 -0.029 0.000 1.259 461 P CA -2.248 60.874 63.100 0.036 0.000 0.826 461 P CB 0.615 32.388 31.700 0.122 0.000 1.064 462 P HA 0.097 nan 4.420 nan 0.000 0.271 462 P C -0.593 176.581 177.300 -0.210 0.000 1.220 462 P CA 0.212 63.290 63.100 -0.037 0.000 0.768 462 P CB 0.295 31.894 31.700 -0.167 0.000 0.848 463 V N 5.384 125.157 119.914 -0.234 0.000 2.277 463 V HA 0.158 4.278 4.120 0.000 0.000 0.269 463 V C -0.325 175.588 176.094 -0.301 0.000 1.036 463 V CA -0.628 61.454 62.300 -0.364 0.000 0.821 463 V CB -0.369 31.167 31.823 -0.479 0.000 1.052 463 V HN 0.439 nan 8.190 nan 0.000 0.462 464 Y N 9.181 129.148 120.300 -0.555 0.000 2.335 464 Y HA 0.458 5.008 4.550 0.000 0.000 0.331 464 Y C -1.628 174.014 175.900 -0.430 0.000 1.094 464 Y CA -1.744 55.877 58.100 -0.798 0.000 1.253 464 Y CB 2.032 39.455 38.460 -1.728 0.000 1.203 464 Y HN 0.415 nan 8.280 nan 0.000 0.508 465 P HA 0.086 nan 4.420 nan 0.000 0.282 465 P C -0.236 176.777 177.300 -0.477 0.000 1.327 465 P CA 0.429 62.769 63.100 -1.267 0.000 0.949 465 P CB 0.713 31.354 31.700 -1.765 0.000 1.445 466 N N 0.563 119.085 118.700 -0.296 0.000 2.494 466 N HA -0.007 4.733 4.740 0.000 0.000 0.182 466 N C 1.301 176.745 175.510 -0.110 0.000 1.076 466 N CA 0.454 53.418 53.050 -0.144 0.000 0.908 466 N CB 0.036 38.340 38.487 -0.306 0.000 0.967 466 N HN 0.176 nan 8.380 nan 0.000 0.449 467 G N 0.618 109.334 108.800 -0.141 0.000 2.569 467 G HA2 0.073 4.033 3.960 0.000 0.000 0.249 467 G HA3 0.073 4.033 3.960 0.000 0.000 0.249 467 G C -0.148 174.845 174.900 0.155 0.000 1.216 467 G CA -0.291 44.860 45.100 0.085 0.000 0.845 467 G HN 0.135 nan 8.290 nan 0.000 0.568 468 Q N 0.086 119.959 119.800 0.120 0.000 2.306 468 Q HA 0.318 4.658 4.340 0.000 0.000 0.241 468 Q C 0.679 176.606 176.000 -0.122 0.000 0.948 468 Q CA -0.533 55.233 55.803 -0.060 0.000 0.886 468 Q CB 0.932 29.658 28.738 -0.021 0.000 1.227 468 Q HN 0.529 nan 8.270 nan 0.000 0.457 469 I N 1.291 121.621 120.570 -0.399 0.000 2.522 469 I HA 0.069 4.239 4.170 0.000 0.000 0.240 469 I C 0.321 176.509 176.117 0.118 0.000 1.078 469 I CA 0.216 61.307 61.300 -0.349 0.000 1.422 469 I CB -0.031 37.600 38.000 -0.613 0.000 1.188 469 I HN 0.654 nan 8.210 nan 0.000 0.442 470 W N 0.465 121.747 121.300 -0.029 0.000 2.736 470 W HA 0.725 5.385 4.660 0.000 0.000 0.355 470 W C -1.291 175.319 176.519 0.151 0.000 1.102 470 W CA -0.824 56.548 57.345 0.045 0.000 1.164 470 W CB 0.536 29.902 29.460 -0.157 0.000 1.422 470 W HN -0.197 nan 8.180 nan 0.000 0.572 471 D N 0.550 121.201 120.400 0.418 0.000 2.661 471 D HA 0.241 4.881 4.640 0.000 0.000 0.228 471 D C -1.460 174.980 176.300 0.234 0.000 1.210 471 D CA -0.855 53.376 54.000 0.386 0.000 0.826 471 D CB 2.212 43.241 40.800 0.381 0.000 1.542 471 D HN 0.498 nan 8.370 nan 0.000 0.447 472 K N 1.463 121.859 120.400 -0.007 0.000 2.185 472 K HA 0.304 4.624 4.320 0.000 0.000 0.271 472 K C -0.350 176.323 176.600 0.122 0.000 1.013 472 K CA -0.409 55.749 56.287 -0.214 0.000 0.943 472 K CB 0.999 32.963 32.500 -0.894 0.000 0.998 472 K HN 0.341 nan 8.250 nan 0.000 0.468 473 E N 2.514 122.773 120.200 0.097 0.000 2.319 473 E HA 0.162 4.512 4.350 0.000 0.000 0.268 473 E C -0.947 175.870 176.600 0.361 0.000 1.050 473 E CA -0.493 56.019 56.400 0.185 0.000 0.878 473 E CB 0.399 30.135 29.700 0.061 0.000 1.066 473 E HN 0.298 nan 8.360 nan 0.000 0.406 474 F N 1.744 121.792 119.950 0.164 0.000 2.506 474 F HA 0.078 4.605 4.527 0.000 0.000 0.351 474 F C 1.193 177.031 175.800 0.063 0.000 1.136 474 F CA -0.308 57.747 58.000 0.092 0.000 1.298 474 F CB 0.310 39.351 39.000 0.068 0.000 1.145 474 F HN 0.469 nan 8.300 nan 0.000 0.593 475 D N 1.123 121.652 120.400 0.215 0.000 3.060 475 D HA 0.067 4.707 4.640 0.000 0.000 0.245 475 D C 0.076 176.437 176.300 0.103 0.000 1.274 475 D CA -0.019 54.057 54.000 0.126 0.000 0.864 475 D CB -0.252 40.596 40.800 0.081 0.000 1.073 475 D HN 0.505 nan 8.370 nan 0.000 0.473 476 T N -3.326 111.313 114.554 0.142 0.000 2.943 476 T HA 0.267 4.617 4.350 0.000 0.000 0.284 476 T C 1.063 175.816 174.700 0.089 0.000 1.015 476 T CA -0.822 61.342 62.100 0.106 0.000 1.042 476 T CB 1.731 70.683 68.868 0.139 0.000 1.055 476 T HN -0.188 nan 8.240 nan 0.000 0.500 477 D N 0.507 120.945 120.400 0.063 0.000 2.117 477 D HA 0.014 4.654 4.640 0.000 0.000 0.198 477 D C 0.614 176.946 176.300 0.054 0.000 0.982 477 D CA 1.135 55.166 54.000 0.051 0.000 0.828 477 D CB -0.003 40.820 40.800 0.038 0.000 0.967 477 D HN 0.462 nan 8.370 nan 0.000 0.464 478 L N 1.245 122.504 121.223 0.059 0.000 2.287 478 L HA 0.323 4.663 4.340 0.000 0.000 0.287 478 L C 0.204 177.117 176.870 0.071 0.000 1.022 478 L CA -0.543 54.331 54.840 0.055 0.000 0.814 478 L CB 1.593 43.682 42.059 0.049 0.000 1.217 478 L HN -0.326 nan 8.230 nan 0.000 0.420 479 K N 3.687 124.122 120.400 0.060 0.000 2.123 479 K HA 0.531 4.851 4.320 0.000 0.000 0.248 479 K C -2.237 174.377 176.600 0.024 0.000 0.969 479 K CA -1.631 54.690 56.287 0.057 0.000 0.882 479 K CB 0.844 33.375 32.500 0.052 0.000 1.080 479 K HN 0.382 nan 8.250 nan 0.000 0.441 480 P HA 0.119 nan 4.420 nan 0.000 0.271 480 P C -0.451 176.845 177.300 -0.007 0.000 1.218 480 P CA -0.250 62.832 63.100 -0.031 0.000 0.780 480 P CB 0.815 32.448 31.700 -0.111 0.000 0.901 481 R N 0.711 121.207 120.500 -0.006 0.000 2.280 481 R HA 0.128 4.468 4.340 0.000 0.000 0.207 481 R C 0.893 177.196 176.300 0.005 0.000 1.043 481 R CA 0.611 56.713 56.100 0.004 0.000 1.006 481 R CB -0.544 29.765 30.300 0.014 0.000 0.885 481 R HN 0.551 nan 8.270 nan 0.000 0.467 482 L N -5.152 116.085 121.223 0.023 0.000 3.079 482 L HA 0.428 4.768 4.340 0.000 0.000 0.278 482 L C -1.473 175.502 176.870 0.175 0.000 1.026 482 L CA -1.198 53.669 54.840 0.044 0.000 0.963 482 L CB 1.709 43.788 42.059 0.034 0.000 1.526 482 L HN -0.147 nan 8.230 nan 0.000 0.397 483 H N -0.492 118.541 119.070 -0.062 0.000 2.621 483 H HA 0.539 5.095 4.556 0.000 0.000 0.360 483 H C 0.241 175.563 175.328 -0.009 0.000 1.163 483 H CA -0.529 55.482 56.048 -0.063 0.000 1.194 483 H CB 2.732 32.466 29.762 -0.048 0.000 1.649 483 H HN 0.634 nan 8.280 nan 0.000 0.532 484 V N -0.409 119.567 119.914 0.104 0.000 3.647 484 V HA -0.030 4.090 4.120 0.000 0.000 0.279 484 V C 1.083 177.234 176.094 0.094 0.000 1.314 484 V CA 0.635 62.985 62.300 0.083 0.000 1.125 484 V CB -0.334 31.520 31.823 0.051 0.000 0.907 484 V HN 0.744 nan 8.190 nan 0.000 0.434 485 N N 1.425 120.198 118.700 0.122 0.000 2.282 485 N HA 0.394 5.134 4.740 0.000 0.000 0.185 485 N C 0.314 175.918 175.510 0.157 0.000 1.099 485 N CA 0.853 53.980 53.050 0.129 0.000 0.878 485 N CB 1.207 39.765 38.487 0.118 0.000 0.993 485 N HN 0.694 nan 8.380 nan 0.000 0.481 486 A N 0.396 123.311 122.820 0.159 0.000 2.589 486 A HA 0.580 4.900 4.320 0.000 0.000 0.296 486 A C -2.514 175.111 177.584 0.069 0.000 1.062 486 A CA -0.942 51.181 52.037 0.143 0.000 0.686 486 A CB 1.441 20.534 19.000 0.154 0.000 1.282 486 A HN -0.095 nan 8.150 nan 0.000 0.404 487 P HA 0.148 nan 4.420 nan 0.000 0.224 487 P C -0.182 176.875 177.300 -0.405 0.000 1.157 487 P CA 0.870 63.805 63.100 -0.275 0.000 0.799 487 P CB 0.048 31.466 31.700 -0.470 0.000 0.809 488 F N -0.241 119.788 119.950 0.132 0.000 2.411 488 F HA 0.335 4.862 4.527 0.000 0.000 0.352 488 F C 0.103 175.931 175.800 0.047 0.000 1.123 488 F CA -1.222 56.820 58.000 0.069 0.000 1.044 488 F CB 1.235 40.256 39.000 0.035 0.000 1.135 488 F HN -0.429 nan 8.300 nan 0.000 0.461 489 V N 2.668 122.668 119.914 0.143 0.000 2.349 489 V HA 0.193 4.313 4.120 0.000 0.000 0.284 489 V C -0.345 175.790 176.094 0.068 0.000 1.014 489 V CA -1.207 61.096 62.300 0.004 0.000 0.826 489 V CB 0.864 32.509 31.823 -0.297 0.000 1.009 489 V HN 0.877 nan 8.190 nan 0.000 0.431 490 c N 4.386 123.073 118.600 0.145 0.000 2.517 490 c HA 0.020 4.590 4.570 0.000 0.000 0.403 490 c C 1.989 176.133 174.090 0.090 0.000 1.467 490 c CA -0.085 56.345 56.329 0.169 0.000 1.542 490 c CB -1.011 41.636 42.510 0.228 0.000 2.482 490 c HN 0.954 nan 8.230 nan 0.000 0.610 491 Q N 1.956 121.805 119.800 0.081 0.000 2.172 491 Q HA -0.096 4.244 4.340 0.000 0.000 0.200 491 Q C 1.325 177.356 176.000 0.051 0.000 0.964 491 Q CA 1.195 57.028 55.803 0.049 0.000 0.855 491 Q CB 0.147 28.910 28.738 0.042 0.000 0.918 491 Q HN 0.804 nan 8.270 nan 0.000 0.444 492 N N 0.269 119.008 118.700 0.066 0.000 1.759 492 N HA 0.019 4.759 4.740 0.000 0.000 0.238 492 N C -0.047 175.509 175.510 0.077 0.000 1.121 492 N CA -0.367 52.717 53.050 0.056 0.000 1.044 492 N CB 0.140 38.648 38.487 0.034 0.000 1.412 492 N HN -0.068 nan 8.380 nan 0.000 0.473 493 N N -0.093 118.676 118.700 0.115 0.000 2.405 493 N HA 0.308 5.048 4.740 0.000 0.000 0.299 493 N C -1.465 174.189 175.510 0.240 0.000 1.075 493 N CA -0.426 52.709 53.050 0.141 0.000 0.884 493 N CB 1.084 39.665 38.487 0.157 0.000 1.194 493 N HN 0.311 nan 8.380 nan 0.000 0.491 494 c N 2.909 121.558 118.600 0.080 0.000 2.382 494 c HA 0.553 5.123 4.570 0.000 0.000 0.363 494 c C -2.053 171.842 174.090 -0.325 0.000 1.213 494 c CA -1.249 55.071 56.329 -0.015 0.000 2.363 494 c CB 0.801 43.309 42.510 -0.004 0.000 2.397 494 c HN 0.683 nan 8.230 nan 0.000 0.573 495 P HA 0.129 nan 4.420 nan 0.000 0.262 495 P C -0.012 177.161 177.300 -0.211 0.000 1.182 495 P CA 0.688 63.146 63.100 -1.071 0.000 0.761 495 P CB 0.195 31.387 31.700 -0.847 0.000 0.795 496 G N 2.947 111.669 108.800 -0.130 0.000 2.554 496 G HA2 0.063 4.023 3.960 0.000 0.000 0.238 496 G HA3 0.063 4.023 3.960 0.000 0.000 0.238 496 G C -0.398 174.499 174.900 -0.004 0.000 1.259 496 G CA -0.392 44.711 45.100 0.004 0.000 0.843 496 G HN 0.461 nan 8.290 nan 0.000 0.582 497 Q N -1.012 118.740 119.800 -0.080 0.000 2.352 497 Q HA 0.322 4.662 4.340 0.000 0.000 0.260 497 Q C -0.344 175.270 176.000 -0.643 0.000 0.976 497 Q CA -0.405 55.168 55.803 -0.384 0.000 0.881 497 Q CB 1.502 29.866 28.738 -0.624 0.000 1.235 497 Q HN 0.394 nan 8.270 nan 0.000 0.419 498 L N 3.749 124.603 121.223 -0.614 0.000 2.265 498 L HA 0.462 4.802 4.340 0.000 0.000 0.289 498 L C -1.695 174.798 176.870 -0.628 0.000 1.033 498 L CA 0.131 54.702 54.840 -0.449 0.000 0.814 498 L CB 0.262 42.268 42.059 -0.088 0.000 1.203 498 L HN 0.409 nan 8.230 nan 0.000 0.423 499 F N 4.829 124.691 119.950 -0.147 0.000 2.450 499 F HA 0.738 5.265 4.527 0.000 0.000 0.332 499 F C 0.250 176.142 175.800 0.153 0.000 1.093 499 F CA -0.714 57.258 58.000 -0.047 0.000 1.003 499 F CB 1.861 40.719 39.000 -0.236 0.000 1.151 499 F HN 0.380 nan 8.300 nan 0.000 0.474 500 V N 0.014 120.207 119.914 0.464 0.000 3.040 500 V HA 0.850 4.970 4.120 0.000 0.000 0.312 500 V C -1.036 175.194 176.094 0.225 0.000 1.115 500 V CA -1.043 61.432 62.300 0.292 0.000 0.998 500 V CB 2.011 33.891 31.823 0.096 0.000 1.042 500 V HN 0.867 nan 8.190 nan 0.000 0.433 501 K N 1.441 121.797 120.400 -0.073 0.000 2.589 501 K HA 0.567 4.887 4.320 0.000 0.000 0.265 501 K C -2.047 174.390 176.600 -0.272 0.000 0.935 501 K CA -0.656 55.420 56.287 -0.352 0.000 0.850 501 K CB 2.508 34.328 32.500 -1.132 0.000 1.372 501 K HN 0.729 nan 8.250 nan 0.000 0.420 502 V N 3.167 122.959 119.914 -0.203 0.000 2.455 502 V HA 0.346 4.466 4.120 0.000 0.000 0.273 502 V C 0.659 176.651 176.094 -0.171 0.000 1.045 502 V CA -0.349 61.868 62.300 -0.138 0.000 0.976 502 V CB 0.635 32.410 31.823 -0.080 0.000 0.993 502 V HN 0.861 nan 8.190 nan 0.000 0.475 503 A N 7.825 130.562 122.820 -0.139 0.000 2.520 503 A HA 0.407 4.727 4.320 0.000 0.000 0.235 503 A C -2.133 175.386 177.584 -0.109 0.000 1.065 503 A CA -0.867 51.094 52.037 -0.128 0.000 0.764 503 A CB -0.436 18.514 19.000 -0.083 0.000 1.002 503 A HN 0.729 nan 8.150 nan 0.000 0.502 504 P HA 0.036 nan 4.420 nan 0.000 0.262 504 P C -0.560 176.684 177.300 -0.095 0.000 1.199 504 P CA 0.286 63.321 63.100 -0.107 0.000 0.763 504 P CB 0.240 31.861 31.700 -0.130 0.000 0.790 505 N N 4.198 122.855 118.700 -0.071 0.000 2.949 505 N HA 0.169 4.909 4.740 0.000 0.000 0.243 505 N C -0.454 175.025 175.510 -0.053 0.000 1.113 505 N CA -0.214 52.803 53.050 -0.054 0.000 0.980 505 N CB -0.259 38.210 38.487 -0.031 0.000 1.256 505 N HN 0.284 nan 8.380 nan 0.000 0.508 506 L N 0.848 122.021 121.223 -0.083 0.000 2.467 506 L HA 0.164 4.504 4.340 0.000 0.000 0.270 506 L C 1.639 178.495 176.870 -0.023 0.000 1.205 506 L CA -0.158 54.635 54.840 -0.077 0.000 0.828 506 L CB 0.242 42.202 42.059 -0.165 0.000 1.101 506 L HN 0.413 nan 8.230 nan 0.000 0.479 507 T N -2.215 112.347 114.554 0.014 0.000 2.891 507 T HA 0.100 4.450 4.350 0.000 0.000 0.294 507 T C 1.024 175.748 174.700 0.040 0.000 1.065 507 T CA -0.353 61.762 62.100 0.026 0.000 0.936 507 T CB 0.527 69.417 68.868 0.036 0.000 1.415 507 T HN 0.728 nan 8.240 nan 0.000 0.572 508 N N -0.382 118.342 118.700 0.039 0.000 2.463 508 N HA -0.060 4.680 4.740 0.000 0.000 0.181 508 N C -0.013 175.536 175.510 0.065 0.000 1.078 508 N CA 0.233 53.309 53.050 0.044 0.000 0.902 508 N CB -0.043 38.462 38.487 0.030 0.000 0.970 508 N HN 0.721 nan 8.380 nan 0.000 0.451 509 E N 0.271 120.515 120.200 0.073 0.000 2.063 509 E HA 0.134 4.484 4.350 0.000 0.000 0.265 509 E C -1.777 174.904 176.600 0.135 0.000 0.919 509 E CA -0.458 55.987 56.400 0.075 0.000 0.756 509 E CB 0.781 30.506 29.700 0.042 0.000 1.120 509 E HN 0.251 nan 8.360 nan 0.000 0.414 510 Y N 2.346 122.648 120.300 0.002 0.000 2.386 510 Y HA 0.295 4.845 4.550 0.000 0.000 0.334 510 Y C -1.555 174.347 175.900 0.004 0.000 1.002 510 Y CA -1.183 56.918 58.100 0.002 0.000 1.068 510 Y CB 1.547 40.009 38.460 0.003 0.000 1.203 510 Y HN 0.284 nan 8.280 nan 0.000 0.443 511 D N 8.552 128.567 120.400 -0.641 0.000 2.389 511 D HA 0.371 5.011 4.640 0.000 0.000 0.256 511 D C -2.030 173.884 176.300 -0.644 0.000 1.239 511 D CA -2.280 51.435 54.000 -0.475 0.000 0.925 511 D CB 1.843 42.511 40.800 -0.222 0.000 1.145 511 D HN 0.345 nan 8.370 nan 0.000 0.542 512 P HA -0.089 nan 4.420 nan 0.000 0.222 512 P C 0.319 177.515 177.300 -0.173 0.000 1.147 512 P CA 0.676 63.547 63.100 -0.381 0.000 0.790 512 P CB 0.513 32.171 31.700 -0.070 0.000 0.780 513 D N 0.055 120.366 120.400 -0.148 0.000 2.371 513 D HA 0.068 4.708 4.640 0.000 0.000 0.221 513 D C 1.076 177.328 176.300 -0.081 0.000 0.986 513 D CA 0.437 54.388 54.000 -0.082 0.000 0.899 513 D CB 0.107 40.870 40.800 -0.061 0.000 0.902 513 D HN 0.223 nan 8.370 nan 0.000 0.530 514 A N 0.530 123.280 122.820 -0.116 0.000 2.279 514 A HA 0.357 4.677 4.320 0.000 0.000 0.303 514 A C 1.373 178.918 177.584 -0.067 0.000 1.108 514 A CA -0.302 51.681 52.037 -0.089 0.000 0.830 514 A CB 1.004 19.940 19.000 -0.107 0.000 1.106 514 A HN 0.069 nan 8.150 nan 0.000 0.493 515 S N 0.855 116.527 115.700 -0.046 0.000 2.446 515 S HA 0.280 4.750 4.470 0.000 0.000 0.225 515 S C 1.129 175.712 174.600 -0.027 0.000 1.016 515 S CA 0.543 58.724 58.200 -0.031 0.000 0.943 515 S CB -0.624 62.562 63.200 -0.025 0.000 0.786 515 S HN 1.482 nan 8.310 nan 0.000 0.508 516 A N 2.090 124.890 122.820 -0.032 0.000 2.448 516 A HA 0.274 4.594 4.320 0.000 0.000 0.239 516 A C 0.248 177.823 177.584 -0.016 0.000 1.080 516 A CA -0.341 51.681 52.037 -0.024 0.000 0.779 516 A CB -0.343 18.641 19.000 -0.026 0.000 1.026 516 A HN 0.598 nan 8.150 nan 0.000 0.499 517 N N 0.657 119.354 118.700 -0.004 0.000 2.513 517 N HA 0.329 5.069 4.740 0.000 0.000 0.268 517 N C 0.346 175.875 175.510 0.031 0.000 1.180 517 N CA -0.140 52.918 53.050 0.013 0.000 0.948 517 N CB 0.464 38.955 38.487 0.007 0.000 1.083 517 N HN 0.752 nan 8.380 nan 0.000 0.455 518 M N 1.092 120.737 119.600 0.075 0.000 2.250 518 M HA 0.102 4.582 4.480 0.000 0.000 0.337 518 M C -0.317 176.042 176.300 0.099 0.000 1.161 518 M CA 0.022 55.408 55.300 0.144 0.000 1.088 518 M CB 0.344 33.135 32.600 0.318 0.000 1.639 518 M HN 0.247 nan 8.290 nan 0.000 0.447 519 S N 3.640 119.399 115.700 0.100 0.000 2.457 519 S HA 0.659 5.129 4.470 0.000 0.000 0.289 519 S C -0.502 174.132 174.600 0.057 0.000 1.163 519 S CA -1.068 57.168 58.200 0.060 0.000 1.078 519 S CB 1.216 64.443 63.200 0.044 0.000 0.987 519 S HN 0.862 nan 8.310 nan 0.000 0.482 520 R N 1.452 121.969 120.500 0.029 0.000 2.873 520 R HA 0.577 4.917 4.340 0.000 0.000 0.264 520 R C -0.596 175.711 176.300 0.012 0.000 1.026 520 R CA -0.926 55.180 56.100 0.010 0.000 1.002 520 R CB 1.214 31.509 30.300 -0.007 0.000 1.174 520 R HN 0.597 nan 8.270 nan 0.000 0.488 521 I N 1.694 122.268 120.570 0.007 0.000 2.416 521 I HA 0.042 4.212 4.170 0.000 0.000 0.288 521 I C 0.129 176.263 176.117 0.028 0.000 1.051 521 I CA -0.493 60.817 61.300 0.016 0.000 1.375 521 I CB 1.284 39.291 38.000 0.012 0.000 1.407 521 I HN 0.242 nan 8.210 nan 0.000 0.516 522 V N 6.690 126.630 119.914 0.043 0.000 2.441 522 V HA -0.019 4.101 4.120 0.000 0.000 0.279 522 V C 0.463 176.628 176.094 0.118 0.000 0.990 522 V CA 0.650 62.992 62.300 0.070 0.000 1.116 522 V CB -0.614 31.254 31.823 0.076 0.000 0.977 522 V HN 0.774 nan 8.190 nan 0.000 0.470 523 T N 5.595 120.215 114.554 0.110 0.000 2.908 523 T HA 0.783 5.133 4.350 0.000 0.000 0.290 523 T C -0.806 174.011 174.700 0.196 0.000 1.034 523 T CA -0.424 61.750 62.100 0.122 0.000 1.010 523 T CB 1.823 70.707 68.868 0.027 0.000 1.068 523 T HN 0.665 nan 8.240 nan 0.000 0.481 524 Y N -1.142 119.151 120.300 -0.011 0.000 2.625 524 Y HA 0.843 5.393 4.550 0.000 0.000 0.338 524 Y C -0.738 175.126 175.900 -0.060 0.000 1.123 524 Y CA -1.270 56.791 58.100 -0.066 0.000 1.046 524 Y CB 1.293 39.704 38.460 -0.081 0.000 1.299 524 Y HN 0.629 nan 8.280 nan 0.000 0.464 525 S N 0.750 116.419 115.700 -0.052 0.000 2.570 525 S HA 0.659 5.129 4.470 0.000 0.000 0.286 525 S C -2.164 172.408 174.600 -0.046 0.000 1.099 525 S CA -0.628 57.522 58.200 -0.083 0.000 0.913 525 S CB 1.463 64.689 63.200 0.043 0.000 1.085 525 S HN 0.716 nan 8.310 nan 0.000 0.480 526 D N 2.740 123.125 120.400 -0.025 0.000 2.696 526 D HA 0.544 5.184 4.640 0.000 0.000 0.251 526 D C -1.039 175.243 176.300 -0.030 0.000 1.188 526 D CA -0.041 53.897 54.000 -0.102 0.000 0.876 526 D CB 1.402 42.170 40.800 -0.054 0.000 1.334 526 D HN 0.463 nan 8.370 nan 0.000 0.540 527 F N -1.060 118.807 119.950 -0.139 0.000 2.613 527 F HA 0.774 5.301 4.527 0.000 0.000 0.314 527 F C -1.386 174.283 175.800 -0.217 0.000 1.075 527 F CA -1.408 56.540 58.000 -0.087 0.000 0.945 527 F CB 0.877 39.879 39.000 0.003 0.000 1.310 527 F HN 0.071 nan 8.300 nan 0.000 0.467 528 W N 1.786 123.045 121.300 -0.068 0.000 2.417 528 W HA 0.486 5.146 4.660 0.000 0.000 0.317 528 W C -1.257 175.250 176.519 -0.021 0.000 1.121 528 W CA -0.442 56.722 57.345 -0.302 0.000 1.208 528 W CB 1.345 30.200 29.460 -1.009 0.000 1.253 528 W HN 0.732 nan 8.180 nan 0.000 0.533 529 W N 5.187 126.623 121.300 0.226 0.000 2.632 529 W HA 0.579 5.239 4.660 0.000 0.000 0.328 529 W C -1.124 175.606 176.519 0.352 0.000 1.044 529 W CA -1.460 56.086 57.345 0.336 0.000 1.225 529 W CB 1.166 30.782 29.460 0.261 0.000 1.396 529 W HN 0.244 nan 8.180 nan 0.000 0.499 530 K N 4.549 124.606 120.400 -0.571 0.000 2.482 530 K HA 0.714 5.034 4.320 0.000 0.000 0.251 530 K C -0.610 175.304 176.600 -1.143 0.000 0.936 530 K CA -0.703 55.175 56.287 -0.681 0.000 0.791 530 K CB 1.530 33.954 32.500 -0.127 0.000 1.213 530 K HN 0.711 nan 8.250 nan 0.000 0.428 531 G N 2.235 110.395 108.800 -1.068 0.000 2.569 531 G HA2 0.495 4.455 3.960 0.000 0.000 0.300 531 G HA3 0.495 4.455 3.960 0.000 0.000 0.300 531 G C -1.652 173.400 174.900 0.253 0.000 1.269 531 G CA -0.594 44.335 45.100 -0.284 0.000 0.959 531 G HN 0.452 nan 8.290 nan 0.000 0.478 532 K N 0.698 121.326 120.400 0.379 0.000 2.637 532 K HA 0.440 4.760 4.320 0.000 0.000 0.248 532 K C -1.900 174.745 176.600 0.075 0.000 0.971 532 K CA -0.697 55.729 56.287 0.231 0.000 0.858 532 K CB 1.718 34.229 32.500 0.017 0.000 1.170 532 K HN 0.314 nan 8.250 nan 0.000 0.443 533 L N 5.048 126.144 121.223 -0.212 0.000 2.296 533 L HA 0.476 4.816 4.340 0.000 0.000 0.286 533 L C -1.365 175.344 176.870 -0.268 0.000 1.023 533 L CA -0.539 53.977 54.840 -0.540 0.000 0.812 533 L CB 1.769 42.961 42.059 -1.444 0.000 1.223 533 L HN 0.365 nan 8.230 nan 0.000 0.421 534 V N 5.860 125.585 119.914 -0.315 0.000 2.448 534 V HA 0.522 4.642 4.120 0.000 0.000 0.295 534 V C -0.442 175.491 176.094 -0.270 0.000 1.025 534 V CA -0.415 61.794 62.300 -0.153 0.000 0.859 534 V CB 1.247 33.008 31.823 -0.105 0.000 0.988 534 V HN 0.525 nan 8.190 nan 0.000 0.431 535 F N 2.629 122.588 119.950 0.016 0.000 2.594 535 F HA 0.704 5.231 4.527 0.000 0.000 0.335 535 F C 0.209 176.053 175.800 0.073 0.000 1.058 535 F CA -1.106 56.929 58.000 0.058 0.000 0.981 535 F CB 1.767 40.856 39.000 0.148 0.000 1.289 535 F HN 0.200 nan 8.300 nan 0.000 0.490 536 K N 0.747 121.354 120.400 0.344 0.000 2.471 536 K HA 0.834 5.154 4.320 0.000 0.000 0.252 536 K C -1.431 175.407 176.600 0.396 0.000 0.938 536 K CA -0.566 55.881 56.287 0.267 0.000 0.796 536 K CB 2.098 34.654 32.500 0.094 0.000 1.161 536 K HN 0.770 nan 8.250 nan 0.000 0.425 537 A N 2.687 125.731 122.820 0.372 0.000 2.479 537 A HA 0.692 5.012 4.320 0.000 0.000 0.296 537 A C -1.577 176.078 177.584 0.117 0.000 1.121 537 A CA -0.723 51.493 52.037 0.298 0.000 0.743 537 A CB 1.583 20.681 19.000 0.164 0.000 1.323 537 A HN 0.569 nan 8.150 nan 0.000 0.415 538 K N 0.926 121.227 120.400 -0.166 0.000 2.323 538 K HA 0.649 4.969 4.320 0.000 0.000 0.259 538 K C -1.179 175.262 176.600 -0.264 0.000 0.947 538 K CA -0.348 55.602 56.287 -0.561 0.000 0.819 538 K CB 0.872 32.809 32.500 -0.940 0.000 1.109 538 K HN 0.622 nan 8.250 nan 0.000 0.429 539 L N 4.787 125.883 121.223 -0.210 0.000 2.461 539 L HA 0.262 4.602 4.340 0.000 0.000 0.272 539 L C 0.824 177.613 176.870 -0.134 0.000 1.197 539 L CA -0.099 54.675 54.840 -0.110 0.000 0.836 539 L CB 0.466 42.491 42.059 -0.056 0.000 1.105 539 L HN 0.705 nan 8.230 nan 0.000 0.477 540 R N 2.692 123.127 120.500 -0.109 0.000 2.549 540 R HA 0.846 5.186 4.340 0.000 0.000 0.267 540 R C -0.820 175.401 176.300 -0.133 0.000 1.045 540 R CA -0.696 55.344 56.100 -0.101 0.000 1.115 540 R CB 1.265 31.510 30.300 -0.092 0.000 1.121 540 R HN 0.581 nan 8.270 nan 0.000 0.543 541 A N 0.752 123.465 122.820 -0.179 0.000 2.430 541 A HA 0.468 4.788 4.320 0.000 0.000 0.300 541 A C -0.951 176.293 177.584 -0.565 0.000 1.124 541 A CA -0.840 51.012 52.037 -0.309 0.000 0.766 541 A CB 1.987 20.839 19.000 -0.247 0.000 1.328 541 A HN 0.675 nan 8.150 nan 0.000 0.424 542 S N -0.371 115.036 115.700 -0.487 0.000 2.411 542 S HA 0.370 4.840 4.470 0.000 0.000 0.294 542 S C 0.138 174.465 174.600 -0.456 0.000 1.115 542 S CA -0.571 57.379 58.200 -0.417 0.000 1.071 542 S CB -0.262 62.796 63.200 -0.238 0.000 0.967 542 S HN 0.652 nan 8.310 nan 0.000 0.488 543 H N 2.581 121.639 119.070 -0.020 0.000 2.639 543 H HA 0.154 4.710 4.556 0.000 0.000 0.267 543 H C 1.278 176.626 175.328 0.032 0.000 0.958 543 H CA 0.628 56.678 56.048 0.003 0.000 1.221 543 H CB -0.118 29.647 29.762 0.005 0.000 1.446 543 H HN 0.659 nan 8.280 nan 0.000 0.512 544 T N -2.701 111.919 114.554 0.109 0.000 2.862 544 T HA 0.004 4.354 4.350 0.000 0.000 0.276 544 T C 1.054 175.833 174.700 0.130 0.000 0.974 544 T CA -0.926 61.253 62.100 0.131 0.000 0.966 544 T CB 1.832 70.765 68.868 0.110 0.000 1.072 544 T HN 0.341 nan 8.240 nan 0.000 0.538 545 W N 2.172 123.472 121.300 0.001 0.000 2.523 545 W HA 0.033 4.693 4.660 0.000 0.000 0.278 545 W C 0.283 176.789 176.519 -0.022 0.000 1.236 545 W CA 0.370 57.709 57.345 -0.010 0.000 1.306 545 W CB -0.240 29.217 29.460 -0.006 0.000 1.101 545 W HN 0.829 nan 8.180 nan 0.000 0.577 546 N N 2.498 121.326 118.700 0.214 0.000 2.483 546 N HA 0.186 4.926 4.740 0.000 0.000 0.269 546 N C -2.455 173.045 175.510 -0.017 0.000 1.209 546 N CA -1.032 52.081 53.050 0.105 0.000 0.969 546 N CB 0.481 39.041 38.487 0.121 0.000 1.173 546 N HN -0.060 nan 8.380 nan 0.000 0.475 547 P HA 0.352 nan 4.420 nan 0.000 0.279 547 P C -0.119 177.152 177.300 -0.049 0.000 1.276 547 P CA -0.476 62.581 63.100 -0.072 0.000 0.801 547 P CB 1.176 32.829 31.700 -0.079 0.000 1.127 548 I N -3.537 116.998 120.570 -0.058 0.000 3.522 548 I HA 0.505 4.675 4.170 0.000 0.000 0.292 548 I C 0.067 176.152 176.117 -0.055 0.000 1.147 548 I CA -1.568 59.703 61.300 -0.047 0.000 1.032 548 I CB 1.004 38.978 38.000 -0.043 0.000 1.337 548 I HN 0.208 nan 8.210 nan 0.000 0.496 549 Q N 1.224 120.992 119.800 -0.053 0.000 2.352 549 Q HA 0.249 4.589 4.340 0.000 0.000 0.260 549 Q C -1.336 174.624 176.000 -0.066 0.000 0.976 549 Q CA -0.078 55.683 55.803 -0.070 0.000 0.881 549 Q CB 0.687 29.357 28.738 -0.113 0.000 1.235 549 Q HN 0.489 nan 8.270 nan 0.000 0.419 550 Q N 3.176 122.937 119.800 -0.065 0.000 2.309 550 Q HA 0.230 4.570 4.340 0.000 0.000 0.273 550 Q C -1.057 174.904 176.000 -0.064 0.000 1.040 550 Q CA -0.489 55.271 55.803 -0.073 0.000 0.834 550 Q CB 2.020 30.709 28.738 -0.082 0.000 1.345 550 Q HN 0.823 nan 8.270 nan 0.000 0.414 551 M N 1.729 121.286 119.600 -0.071 0.000 2.228 551 M HA 0.351 4.831 4.480 0.000 0.000 0.351 551 M C -0.615 175.636 176.300 -0.082 0.000 1.233 551 M CA 0.505 55.768 55.300 -0.061 0.000 1.129 551 M CB 0.638 33.197 32.600 -0.068 0.000 1.604 551 M HN 0.587 nan 8.290 nan 0.000 0.457 552 S N 4.976 120.636 115.700 -0.067 0.000 2.550 552 S HA 0.529 4.999 4.470 0.000 0.000 0.270 552 S C -1.113 173.451 174.600 -0.060 0.000 1.145 552 S CA -1.009 57.144 58.200 -0.078 0.000 0.852 552 S CB 1.477 64.639 63.200 -0.063 0.000 1.119 552 S HN 0.856 nan 8.310 nan 0.000 0.465 553 I N 3.626 124.147 120.570 -0.081 0.000 2.519 553 I HA 0.465 4.635 4.170 0.000 0.000 0.287 553 I C -0.477 175.631 176.117 -0.015 0.000 1.047 553 I CA -0.077 61.205 61.300 -0.030 0.000 1.381 553 I CB 0.524 38.484 38.000 -0.066 0.000 1.417 553 I HN 0.945 nan 8.210 nan 0.000 0.540 554 N N 4.012 122.715 118.700 0.004 0.000 3.316 554 N HA 0.226 4.966 4.740 0.000 0.000 0.300 554 N C 0.053 175.523 175.510 -0.065 0.000 1.567 554 N CA -0.731 52.302 53.050 -0.028 0.000 0.821 554 N CB 0.782 39.258 38.487 -0.017 0.000 1.748 554 N HN 0.185 nan 8.380 nan 0.000 0.603 555 V N -0.848 119.025 119.914 -0.068 0.000 2.720 555 V HA -0.129 3.991 4.120 0.000 0.000 0.256 555 V C 0.700 176.729 176.094 -0.108 0.000 1.082 555 V CA 1.812 64.052 62.300 -0.101 0.000 1.101 555 V CB -0.794 30.999 31.823 -0.049 0.000 0.693 555 V HN 0.625 nan 8.190 nan 0.000 0.479 556 D N 0.893 121.260 120.400 -0.054 0.000 2.240 556 D HA -0.053 4.587 4.640 0.000 0.000 0.206 556 D C 1.932 178.216 176.300 -0.026 0.000 0.963 556 D CA 1.511 55.498 54.000 -0.021 0.000 0.863 556 D CB -0.130 40.674 40.800 0.007 0.000 0.973 556 D HN 0.792 nan 8.370 nan 0.000 0.501 557 N N 0.403 119.088 118.700 -0.026 0.000 2.282 557 N HA -0.077 4.663 4.740 0.000 0.000 0.185 557 N C 1.762 177.238 175.510 -0.057 0.000 1.099 557 N CA -0.100 52.940 53.050 -0.017 0.000 0.878 557 N CB 0.037 38.578 38.487 0.091 0.000 0.993 557 N HN -0.012 nan 8.380 nan 0.000 0.481 558 Q N 0.932 120.668 119.800 -0.106 0.000 2.182 558 Q HA -0.211 4.129 4.340 0.000 0.000 0.213 558 Q C 0.449 176.352 176.000 -0.162 0.000 1.000 558 Q CA 1.892 57.599 55.803 -0.161 0.000 0.889 558 Q CB -0.284 28.181 28.738 -0.455 0.000 0.932 558 Q HN 0.444 nan 8.270 nan 0.000 0.415 559 F N 0.314 120.283 119.950 0.032 0.000 2.811 559 F HA 0.130 4.657 4.527 0.000 0.000 0.301 559 F C 1.203 176.968 175.800 -0.058 0.000 1.151 559 F CA 0.422 58.430 58.000 0.012 0.000 1.412 559 F CB -0.182 38.827 39.000 0.015 0.000 1.113 559 F HN 0.212 nan 8.300 nan 0.000 0.579 560 N N -1.449 117.174 118.700 -0.129 0.000 2.373 560 N HA -0.052 4.688 4.740 0.000 0.000 0.181 560 N C 0.115 175.388 175.510 -0.395 0.000 1.082 560 N CA 0.299 53.142 53.050 -0.345 0.000 0.885 560 N CB 0.050 38.139 38.487 -0.664 0.000 0.977 560 N HN 0.220 nan 8.380 nan 0.000 0.462 561 Y N 0.181 120.581 120.300 0.168 0.000 2.696 561 Y HA 0.418 4.968 4.550 0.000 0.000 0.260 561 Y C -0.310 175.705 175.900 0.191 0.000 1.165 561 Y CA -0.407 57.797 58.100 0.174 0.000 1.189 561 Y CB 0.421 38.954 38.460 0.123 0.000 1.180 561 Y HN -0.251 nan 8.280 nan 0.000 0.538 562 V N 1.808 121.897 119.914 0.291 0.000 3.012 562 V HA 0.408 4.528 4.120 0.000 0.000 0.307 562 V C -2.295 173.932 176.094 0.221 0.000 1.166 562 V CA -2.043 60.410 62.300 0.256 0.000 0.974 562 V CB 2.978 34.952 31.823 0.252 0.000 1.040 562 V HN -0.062 nan 8.190 nan 0.000 0.428 563 P HA 0.233 nan 4.420 nan 0.000 0.272 563 P C -0.230 177.130 177.300 0.100 0.000 1.230 563 P CA -0.005 63.187 63.100 0.153 0.000 0.788 563 P CB 0.980 32.758 31.700 0.130 0.000 0.949 564 S N 0.635 116.375 115.700 0.068 0.000 2.686 564 S HA 0.112 4.582 4.470 0.000 0.000 0.270 564 S C 1.307 175.915 174.600 0.013 0.000 1.194 564 S CA -0.558 57.656 58.200 0.023 0.000 0.990 564 S CB 0.025 63.230 63.200 0.007 0.000 1.029 564 S HN 0.593 nan 8.310 nan 0.000 0.560 565 N N 0.219 118.913 118.700 -0.009 0.000 2.550 565 N HA -0.063 4.677 4.740 0.000 0.000 0.186 565 N C 0.877 176.384 175.510 -0.005 0.000 1.110 565 N CA 0.473 53.518 53.050 -0.008 0.000 0.912 565 N CB -0.429 38.047 38.487 -0.019 0.000 0.968 565 N HN 0.543 nan 8.380 nan 0.000 0.448 566 I N -0.515 120.053 120.570 -0.003 0.000 3.941 566 I HA 0.226 4.396 4.170 0.000 0.000 0.321 566 I C 1.367 177.487 176.117 0.006 0.000 1.284 566 I CA 0.401 61.700 61.300 -0.003 0.000 1.226 566 I CB -0.888 37.108 38.000 -0.007 0.000 1.045 566 I HN 0.322 nan 8.210 nan 0.000 0.420 567 G N 1.188 109.999 108.800 0.018 0.000 2.141 567 G HA2 -0.136 3.824 3.960 0.000 0.000 0.195 567 G HA3 -0.136 3.824 3.960 0.000 0.000 0.195 567 G C 0.631 175.558 174.900 0.044 0.000 1.012 567 G CA -0.124 44.998 45.100 0.037 0.000 0.696 567 G HN 0.638 nan 8.290 nan 0.000 0.508 568 G N -0.906 107.914 108.800 0.034 0.000 2.476 568 G HA2 0.686 4.646 3.960 0.000 0.000 0.269 568 G HA3 0.686 4.646 3.960 0.000 0.000 0.269 568 G C -0.041 174.897 174.900 0.063 0.000 1.195 568 G CA -0.200 44.915 45.100 0.024 0.000 0.843 568 G HN 0.267 nan 8.290 nan 0.000 0.545 569 M N -0.085 119.538 119.600 0.039 0.000 2.664 569 M HA 0.559 5.039 4.480 0.000 0.000 0.279 569 M C -0.576 175.835 176.300 0.185 0.000 1.275 569 M CA -0.677 54.701 55.300 0.131 0.000 0.829 569 M CB 2.649 35.292 32.600 0.072 0.000 1.727 569 M HN 0.858 nan 8.290 nan 0.000 0.459 570 K N 0.067 120.667 120.400 0.333 0.000 2.625 570 K HA 0.720 5.040 4.320 0.000 0.000 0.284 570 K C -2.016 174.778 176.600 0.324 0.000 0.984 570 K CA -0.776 55.716 56.287 0.342 0.000 0.865 570 K CB 1.533 34.164 32.500 0.218 0.000 1.468 570 K HN 0.610 nan 8.250 nan 0.000 0.407 571 I N 2.337 123.064 120.570 0.262 0.000 2.468 571 I HA 0.241 4.411 4.170 0.000 0.000 0.284 571 I C -0.673 175.521 176.117 0.129 0.000 1.038 571 I CA -1.301 60.100 61.300 0.168 0.000 1.083 571 I CB 1.983 40.014 38.000 0.051 0.000 1.223 571 I HN 0.343 nan 8.210 nan 0.000 0.443 572 V N 6.177 126.156 119.914 0.109 0.000 2.649 572 V HA 0.092 4.212 4.120 0.000 0.000 0.292 572 V C -0.180 175.914 176.094 -0.001 0.000 1.055 572 V CA -0.460 61.887 62.300 0.077 0.000 1.023 572 V CB 0.841 32.663 31.823 -0.003 0.000 0.992 572 V HN 0.574 nan 8.190 nan 0.000 0.480 573 Y N 3.503 123.626 120.300 -0.294 0.000 2.550 573 Y HA 0.469 5.019 4.550 0.000 0.000 0.343 573 Y C 0.018 175.820 175.900 -0.163 0.000 1.245 573 Y CA -0.548 57.274 58.100 -0.464 0.000 1.462 573 Y CB 0.249 37.902 38.460 -1.345 0.000 1.340 573 Y HN 0.614 nan 8.280 nan 0.000 0.604 574 E N 2.713 122.800 120.200 -0.188 0.000 2.317 574 E HA 0.314 4.664 4.350 0.000 0.000 0.270 574 E C -1.029 175.650 176.600 0.132 0.000 0.885 574 E CA -1.196 55.135 56.400 -0.114 0.000 0.760 574 E CB 2.241 32.025 29.700 0.140 0.000 1.227 574 E HN 0.626 nan 8.360 nan 0.000 0.434 575 K N 0.613 121.059 120.400 0.076 0.000 2.154 575 K HA 0.248 4.568 4.320 0.000 0.000 0.264 575 K C 0.938 177.734 176.600 0.328 0.000 1.008 575 K CA -0.118 56.298 56.287 0.216 0.000 0.937 575 K CB 1.071 33.520 32.500 -0.085 0.000 1.002 575 K HN 0.581 nan 8.250 nan 0.000 0.469 576 S N 0.864 116.782 115.700 0.364 0.000 2.527 576 S HA -0.045 4.425 4.470 0.000 0.000 0.227 576 S C 0.580 175.248 174.600 0.114 0.000 1.059 576 S CA -0.251 58.078 58.200 0.215 0.000 0.919 576 S CB 0.126 63.459 63.200 0.222 0.000 0.805 576 S HN 0.588 nan 8.310 nan 0.000 0.500 577 Q N 1.460 121.391 119.800 0.218 0.000 3.091 577 Q HA 0.376 4.716 4.340 0.000 0.000 0.301 577 Q C 0.012 176.210 176.000 0.331 0.000 1.337 577 Q CA -0.408 55.531 55.803 0.225 0.000 1.083 577 Q CB 0.389 29.283 28.738 0.261 0.000 1.477 577 Q HN 0.247 nan 8.270 nan 0.000 0.537 578 L N 0.643 121.986 121.223 0.200 0.000 1.994 578 L HA -0.086 4.254 4.340 0.000 0.000 0.208 578 L C 1.138 178.104 176.870 0.160 0.000 1.071 578 L CA 1.445 56.353 54.840 0.114 0.000 0.745 578 L CB -0.805 41.266 42.059 0.020 0.000 0.892 578 L HN 0.422 nan 8.230 nan 0.000 0.431 579 A N 0.853 123.732 122.820 0.098 0.000 2.407 579 A HA 0.451 4.771 4.320 0.000 0.000 0.248 579 A C -2.236 175.288 177.584 -0.099 0.000 1.082 579 A CA -0.800 51.255 52.037 0.030 0.000 0.785 579 A CB -0.520 18.469 19.000 -0.018 0.000 1.020 579 A HN 0.088 nan 8.150 nan 0.000 0.489 580 P HA 0.569 nan 4.420 nan 0.000 0.285 580 P C -1.198 176.023 177.300 -0.132 0.000 1.269 580 P CA -0.546 62.284 63.100 -0.450 0.000 0.844 580 P CB 1.470 33.075 31.700 -0.158 0.000 1.094 581 R N -0.416 120.029 120.500 -0.092 0.000 2.740 581 R HA 0.551 4.891 4.340 0.000 0.000 0.273 581 R C -0.768 175.513 176.300 -0.031 0.000 0.998 581 R CA -1.103 54.986 56.100 -0.020 0.000 0.900 581 R CB 1.495 31.778 30.300 -0.029 0.000 1.223 581 R HN 0.166 nan 8.270 nan 0.000 0.466 582 K N 1.469 121.857 120.400 -0.020 0.000 2.319 582 K HA 0.095 4.415 4.320 0.000 0.000 0.265 582 K C 0.248 176.786 176.600 -0.103 0.000 1.000 582 K CA -0.161 56.080 56.287 -0.077 0.000 0.943 582 K CB 0.967 33.443 32.500 -0.040 0.000 0.950 582 K HN 0.593 nan 8.250 nan 0.000 0.485 583 L N 1.975 123.109 121.223 -0.149 0.000 2.537 583 L HA 0.220 4.560 4.340 0.000 0.000 0.224 583 L C -0.336 176.564 176.870 0.050 0.000 1.065 583 L CA 0.245 55.039 54.840 -0.076 0.000 0.860 583 L CB 0.469 42.444 42.059 -0.139 0.000 1.086 583 L HN 0.712 nan 8.230 nan 0.000 0.482 584 Y N 0.000 120.217 120.300 -0.139 0.000 2.660 584 Y HA 0.000 4.550 4.550 0.000 0.000 0.201 584 Y CA 0.000 58.045 58.100 -0.092 0.000 1.940 584 Y CB 0.000 38.407 38.460 -0.088 0.000 1.050 584 Y HN 0.000 nan 8.280 nan 0.000 0.758