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 1sll_1_A DATA FIRST_RESID 81 DATA SEQUENCE IPEGILMEKN NVDIAEGQGY SLDQEAGAKY VKAMTQGTII LSYKSTSENG DATA SEQUENCE IQSLFSVGNS TAGNQDRHFH IYITNSGGIG IELRNTDGVF NYTLDRPASV DATA SEQUENCE RALYKGERVF NTVALKADAA NKQCRLFANG ELLATLDKDA FKFISDITGV DATA SEQUENCE DNVTLGGTKR QGKIAYPFGG TIGDIKVYSN ALSDEELIQA TGVTTYGENI DATA SEQUENCE FYAGDVTESN YFRIPSLLTL STGTVISAAD ARYGGTHDSK SKINIAFAKS DATA SEQUENCE TDGGNTWSEP TLPLKFDDYI AKNIDWPRDS VGKNVQIQGS ASYIDPVLLE DATA SEQUENCE DKLTKRIFLF ADLMPAGIGS SNASVGSGFK EVNGKKYLKL RWHKDAGRAY DATA SEQUENCE DYTIREKGVI YNDATNQPTE FRVDGEYNLY QHDTNLTCKQ YDYNFSGNNL DATA SEQUENCE IESKTDVDVN MNIFYKNSVF KAFPTNYLAM RYSDDEGASW SDLDIVSSFK DATA SEQUENCE PEVSKFLVVG PGIGKQISTG ENAGRLLVPL YSKSSAELGF MYSDDHGDNW DATA SEQUENCE TYVEADNLTG GATAEAQIVE MPDGSLKTYL RTGSNCIAEV TSIDGGETWS DATA SEQUENCE DRVPLQGIST TSYGTQLSVI NYSQPIDGKP AIILSSPNAT NGRKNGKIWI DATA SEQUENCE GLVNDTGNTG IDKYSVEWKY SYAVDTPQMG YSYSCLAELP DGQVGLLYEK DATA SEQUENCE YDSWSRNELH LKDILKFEKY SISELTGQA 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 81 I HA 0.000 nan 4.170 nan 0.000 0.288 81 I C 0.000 175.975 176.117 -0.237 0.000 1.063 81 I CA 0.000 61.211 61.300 -0.148 0.000 1.566 81 I CB 0.000 37.997 38.000 -0.005 0.000 1.214 82 P HA 0.203 nan 4.420 nan 0.000 0.270 82 P C -1.050 176.154 177.300 -0.159 0.000 1.223 82 P CA 0.058 62.990 63.100 -0.280 0.000 0.785 82 P CB 0.574 32.058 31.700 -0.360 0.000 0.923 83 E N 0.467 120.612 120.200 -0.093 0.000 2.229 83 E HA 0.460 4.751 4.350 -0.099 0.000 0.283 83 E C 0.846 177.432 176.600 -0.023 0.000 1.030 83 E CA 0.280 56.655 56.400 -0.042 0.000 0.836 83 E CB 0.905 30.588 29.700 -0.027 0.000 1.068 83 E HN 0.838 nan 8.360 nan 0.000 0.401 84 G N 2.785 111.597 108.800 0.019 0.000 2.384 84 G HA2 -0.200 3.701 3.960 -0.099 0.000 0.200 84 G HA3 -0.200 3.701 3.960 -0.099 0.000 0.200 84 G C -0.394 174.490 174.900 -0.027 0.000 1.205 84 G CA -0.819 44.312 45.100 0.052 0.000 1.116 84 G HN 0.464 nan 8.290 nan 0.000 0.547 85 I N 2.421 122.895 120.570 -0.161 0.000 2.494 85 I HA 0.158 4.268 4.170 -0.099 0.000 0.289 85 I C 1.675 177.704 176.117 -0.147 0.000 1.106 85 I CA -0.026 61.076 61.300 -0.330 0.000 1.369 85 I CB 0.434 38.203 38.000 -0.385 0.000 1.410 85 I HN 0.418 nan 8.210 nan 0.000 0.523 86 L N 6.179 127.346 121.223 -0.093 0.000 2.307 86 L HA 0.242 4.523 4.340 -0.099 0.000 0.211 86 L C 0.652 177.557 176.870 0.058 0.000 1.099 86 L CA 0.730 55.590 54.840 0.032 0.000 0.816 86 L CB 0.039 42.166 42.059 0.112 0.000 0.952 86 L HN 0.640 nan 8.230 nan 0.000 0.455 87 M N -0.446 119.145 119.600 -0.015 0.000 2.490 87 M HA 0.329 4.750 4.480 -0.099 0.000 0.286 87 M C -2.033 174.236 176.300 -0.052 0.000 1.185 87 M CA -0.400 54.906 55.300 0.010 0.000 0.912 87 M CB 2.939 35.586 32.600 0.078 0.000 1.744 87 M HN -0.106 nan 8.290 nan 0.000 0.494 88 E N 3.273 123.459 120.200 -0.023 0.000 2.321 88 E HA 0.478 4.769 4.350 -0.099 0.000 0.281 88 E C -2.007 174.596 176.600 0.006 0.000 0.910 88 E CA -0.740 55.638 56.400 -0.037 0.000 0.770 88 E CB 2.036 31.696 29.700 -0.066 0.000 1.225 88 E HN 0.494 nan 8.360 nan 0.000 0.417 89 K N 2.628 123.034 120.400 0.009 0.000 2.464 89 K HA 0.515 4.775 4.320 -0.099 0.000 0.253 89 K C -1.379 175.223 176.600 0.003 0.000 0.933 89 K CA -0.769 55.530 56.287 0.021 0.000 0.801 89 K CB 1.902 34.428 32.500 0.043 0.000 1.271 89 K HN 0.606 nan 8.250 nan 0.000 0.430 90 N N 1.760 120.459 118.700 -0.002 0.000 2.262 90 N HA 0.277 4.958 4.740 -0.099 0.000 0.295 90 N C -1.065 174.443 175.510 -0.004 0.000 1.161 90 N CA -0.542 52.507 53.050 -0.003 0.000 0.767 90 N CB 1.353 39.837 38.487 -0.006 0.000 1.499 90 N HN 0.500 nan 8.380 nan 0.000 0.476 91 N N 0.049 118.758 118.700 0.016 0.000 2.642 91 N HA -0.146 4.534 4.740 -0.099 0.000 0.269 91 N C -1.099 174.415 175.510 0.007 0.000 1.073 91 N CA 0.509 53.582 53.050 0.038 0.000 0.748 91 N CB -1.009 37.496 38.487 0.030 0.000 0.894 91 N HN 0.218 nan 8.380 nan 0.000 0.548 92 V N 0.920 120.824 119.914 -0.017 0.000 2.347 92 V HA 0.210 4.271 4.120 -0.099 0.000 0.280 92 V C 0.252 176.341 176.094 -0.007 0.000 1.021 92 V CA -0.737 61.483 62.300 -0.134 0.000 0.847 92 V CB 1.870 33.471 31.823 -0.372 0.000 0.990 92 V HN 0.134 nan 8.190 nan 0.000 0.444 93 D N 5.230 125.641 120.400 0.019 0.000 2.280 93 D HA 0.482 5.063 4.640 -0.099 0.000 0.243 93 D C -0.237 176.127 176.300 0.107 0.000 1.129 93 D CA 0.113 54.164 54.000 0.085 0.000 0.848 93 D CB 1.881 42.725 40.800 0.074 0.000 1.107 93 D HN 0.358 nan 8.370 nan 0.000 0.471 94 I N 1.788 122.456 120.570 0.165 0.000 2.362 94 I HA 0.353 4.463 4.170 -0.099 0.000 0.289 94 I C 0.381 176.564 176.117 0.111 0.000 0.994 94 I CA -0.985 60.434 61.300 0.198 0.000 1.158 94 I CB 1.654 39.866 38.000 0.353 0.000 1.315 94 I HN 0.264 nan 8.210 nan 0.000 0.451 95 A N 5.441 128.318 122.820 0.094 0.000 2.440 95 A HA 0.159 4.420 4.320 -0.099 0.000 0.251 95 A C 0.351 177.955 177.584 0.033 0.000 1.089 95 A CA -0.254 51.809 52.037 0.043 0.000 0.779 95 A CB 0.173 19.201 19.000 0.047 0.000 1.022 95 A HN 0.804 nan 8.150 nan 0.000 0.492 96 E N 1.244 121.436 120.200 -0.014 0.000 2.652 96 E HA 0.203 4.494 4.350 -0.099 0.000 0.255 96 E C 1.375 177.982 176.600 0.011 0.000 0.952 96 E CA 1.308 57.695 56.400 -0.021 0.000 0.947 96 E CB -0.044 29.628 29.700 -0.046 0.000 0.912 96 E HN 1.415 nan 8.360 nan 0.000 0.489 97 G N 3.803 112.621 108.800 0.030 0.000 2.179 97 G HA2 -0.298 3.602 3.960 -0.099 0.000 0.260 97 G HA3 -0.298 3.602 3.960 -0.099 0.000 0.260 97 G C 0.833 175.751 174.900 0.029 0.000 0.977 97 G CA 0.496 45.611 45.100 0.024 0.000 0.641 97 G HN 0.571 nan 8.290 nan 0.000 0.533 98 Q N -0.164 119.668 119.800 0.054 0.000 2.349 98 Q HA 0.372 4.653 4.340 -0.099 0.000 0.209 98 Q C 1.748 177.795 176.000 0.079 0.000 0.920 98 Q CA 1.516 57.353 55.803 0.057 0.000 0.901 98 Q CB 0.160 28.939 28.738 0.067 0.000 1.021 98 Q HN 1.803 nan 8.270 nan 0.000 0.519 99 G N 1.038 109.916 108.800 0.129 0.000 2.750 99 G HA2 -0.299 3.602 3.960 -0.099 0.000 0.228 99 G HA3 -0.299 3.602 3.960 -0.099 0.000 0.228 99 G C -1.112 173.926 174.900 0.231 0.000 1.367 99 G CA -0.042 45.153 45.100 0.159 0.000 0.871 99 G HN 0.289 nan 8.290 nan 0.000 0.560 100 Y N -0.243 120.097 120.300 0.067 0.000 2.358 100 Y HA 0.573 5.069 4.550 -0.091 0.000 0.324 100 Y C 0.065 175.997 175.900 0.053 0.000 1.123 100 Y CA -0.015 58.125 58.100 0.067 0.000 1.067 100 Y CB 1.812 40.328 38.460 0.093 0.000 1.230 100 Y HN 1.144 nan 8.280 nan 0.000 0.429 101 S N 5.777 121.291 115.700 -0.310 0.000 2.523 101 S HA 0.379 4.789 4.470 -0.099 0.000 0.275 101 S C 0.108 174.632 174.600 -0.126 0.000 1.281 101 S CA -0.322 57.771 58.200 -0.179 0.000 1.050 101 S CB 0.266 63.352 63.200 -0.191 0.000 0.937 101 S HN 0.802 nan 8.310 nan 0.000 0.492 102 L N 4.133 125.390 121.223 0.057 0.000 2.910 102 L HA 0.284 4.564 4.340 -0.099 0.000 0.252 102 L C 0.965 177.879 176.870 0.073 0.000 1.195 102 L CA -0.106 54.816 54.840 0.136 0.000 1.003 102 L CB 0.149 42.352 42.059 0.240 0.000 1.328 102 L HN 0.599 nan 8.230 nan 0.000 0.540 103 D N 0.899 121.307 120.400 0.014 0.000 2.264 103 D HA -0.180 4.401 4.640 -0.099 0.000 0.208 103 D C 1.748 178.045 176.300 -0.004 0.000 0.966 103 D CA 1.040 55.040 54.000 0.001 0.000 0.864 103 D CB 0.275 41.061 40.800 -0.022 0.000 0.933 103 D HN 0.589 nan 8.370 nan 0.000 0.499 104 Q N 0.452 120.249 119.800 -0.005 0.000 2.320 104 Q HA 0.072 4.352 4.340 -0.099 0.000 0.201 104 Q C 0.091 176.102 176.000 0.019 0.000 0.910 104 Q CA -0.084 55.718 55.803 -0.003 0.000 0.946 104 Q CB 0.321 29.051 28.738 -0.013 0.000 1.062 104 Q HN -0.054 nan 8.270 nan 0.000 0.503 105 E N 1.075 121.300 120.200 0.041 0.000 2.373 105 E HA 0.101 4.392 4.350 -0.099 0.000 0.267 105 E C 0.692 177.313 176.600 0.034 0.000 1.032 105 E CA 0.506 56.941 56.400 0.058 0.000 0.889 105 E CB 1.162 30.917 29.700 0.092 0.000 0.984 105 E HN 0.351 nan 8.360 nan 0.000 0.425 106 A N 3.157 126.000 122.820 0.039 0.000 1.948 106 A HA -0.165 4.095 4.320 -0.099 0.000 0.220 106 A C 1.753 179.344 177.584 0.012 0.000 1.177 106 A CA 2.051 54.105 52.037 0.028 0.000 0.636 106 A CB -0.439 18.595 19.000 0.056 0.000 0.815 106 A HN 0.615 nan 8.150 nan 0.000 0.449 107 G N -1.844 107.001 108.800 0.075 0.000 3.284 107 G HA2 0.362 4.263 3.960 -0.099 0.000 0.236 107 G HA3 0.362 4.263 3.960 -0.099 0.000 0.236 107 G C 1.230 176.167 174.900 0.063 0.000 1.158 107 G CA 0.895 46.081 45.100 0.144 0.000 0.774 107 G HN 0.679 nan 8.290 nan 0.000 0.545 108 A N 2.168 124.994 122.820 0.010 0.000 1.940 108 A HA -0.107 4.153 4.320 -0.099 0.000 0.219 108 A C 2.289 179.857 177.584 -0.027 0.000 1.176 108 A CA 1.975 54.028 52.037 0.027 0.000 0.631 108 A CB -0.308 18.702 19.000 0.018 0.000 0.814 108 A HN 0.516 nan 8.150 nan 0.000 0.446 109 K N -1.783 118.516 120.400 -0.168 0.000 2.152 109 K HA -0.198 4.063 4.320 -0.099 0.000 0.206 109 K C 1.661 178.179 176.600 -0.136 0.000 1.048 109 K CA 1.775 57.936 56.287 -0.209 0.000 0.933 109 K CB -0.560 31.730 32.500 -0.351 0.000 0.721 109 K HN 0.474 nan 8.250 nan 0.000 0.447 110 Y N 1.516 121.851 120.300 0.059 0.000 2.206 110 Y HA -0.043 4.447 4.550 -0.101 0.000 0.292 110 Y C 2.553 178.507 175.900 0.091 0.000 1.123 110 Y CA 0.036 58.176 58.100 0.068 0.000 1.142 110 Y CB -0.708 37.789 38.460 0.062 0.000 1.006 110 Y HN -0.199 nan 8.280 nan 0.000 0.518 111 V N 0.527 120.593 119.914 0.253 0.000 2.392 111 V HA -0.305 3.755 4.120 -0.099 0.000 0.249 111 V C 1.923 178.118 176.094 0.168 0.000 1.059 111 V CA 1.945 64.386 62.300 0.235 0.000 1.051 111 V CB -0.612 31.373 31.823 0.270 0.000 0.658 111 V HN 0.353 nan 8.190 nan 0.000 0.455 112 K N 0.026 120.493 120.400 0.112 0.000 2.515 112 K HA 0.071 4.331 4.320 -0.099 0.000 0.196 112 K C 1.369 178.005 176.600 0.059 0.000 1.038 112 K CA 0.946 57.271 56.287 0.062 0.000 0.967 112 K CB -0.075 32.444 32.500 0.031 0.000 0.780 112 K HN 0.503 nan 8.250 nan 0.000 0.483 113 A N 0.190 123.070 122.820 0.099 0.000 2.603 113 A HA 0.253 4.514 4.320 -0.099 0.000 0.277 113 A C 0.138 177.805 177.584 0.138 0.000 1.158 113 A CA -0.510 51.589 52.037 0.103 0.000 0.962 113 A CB 0.096 19.163 19.000 0.113 0.000 1.189 113 A HN 0.085 nan 8.150 nan 0.000 0.552 114 M N 1.360 121.061 119.600 0.168 0.000 2.261 114 M HA 0.009 4.429 4.480 -0.099 0.000 0.350 114 M C 1.608 178.108 176.300 0.334 0.000 1.343 114 M CA 0.966 56.423 55.300 0.263 0.000 1.003 114 M CB 0.485 33.308 32.600 0.372 0.000 1.848 114 M HN 0.463 nan 8.290 nan 0.000 0.456 115 T N -0.383 114.347 114.554 0.292 0.000 3.057 115 T HA 0.132 4.422 4.350 -0.099 0.000 0.254 115 T C 0.325 175.234 174.700 0.348 0.000 1.094 115 T CA 0.363 62.636 62.100 0.288 0.000 1.088 115 T CB 0.100 69.077 68.868 0.181 0.000 0.934 115 T HN 0.833 nan 8.240 nan 0.000 0.497 116 Q N -1.289 118.647 119.800 0.226 0.000 2.919 116 Q HA 0.615 4.895 4.340 -0.099 0.000 0.323 116 Q C -0.547 175.361 176.000 -0.154 0.000 0.829 116 Q CA -1.004 54.727 55.803 -0.121 0.000 0.803 116 Q CB 0.788 29.496 28.738 -0.050 0.000 1.423 116 Q HN 0.464 nan 8.270 nan 0.000 0.478 117 G N -0.623 108.021 108.800 -0.260 0.000 2.362 117 G HA2 0.425 4.325 3.960 -0.099 0.000 0.288 117 G HA3 0.425 4.325 3.960 -0.099 0.000 0.288 117 G C -1.555 173.312 174.900 -0.056 0.000 1.305 117 G CA -0.173 44.891 45.100 -0.061 0.000 0.910 117 G HN 0.735 nan 8.290 nan 0.000 0.518 118 T N 0.094 114.693 114.554 0.074 0.000 2.886 118 T HA 0.659 4.950 4.350 -0.099 0.000 0.292 118 T C -0.885 173.922 174.700 0.178 0.000 1.012 118 T CA -0.261 61.884 62.100 0.074 0.000 0.982 118 T CB 1.635 70.462 68.868 -0.068 0.000 1.018 118 T HN 0.595 nan 8.240 nan 0.000 0.451 119 I N 3.071 123.731 120.570 0.150 0.000 2.436 119 I HA 0.577 4.688 4.170 -0.099 0.000 0.289 119 I C -0.685 175.482 176.117 0.083 0.000 1.010 119 I CA -0.623 60.732 61.300 0.092 0.000 1.098 119 I CB 1.804 39.839 38.000 0.058 0.000 1.266 119 I HN 0.599 nan 8.210 nan 0.000 0.434 120 I N 7.993 128.606 120.570 0.072 0.000 2.498 120 I HA 0.714 4.825 4.170 -0.099 0.000 0.290 120 I C -1.624 174.525 176.117 0.055 0.000 1.032 120 I CA -0.702 60.640 61.300 0.070 0.000 1.073 120 I CB 1.282 39.323 38.000 0.068 0.000 1.251 120 I HN 0.623 nan 8.210 nan 0.000 0.426 121 L N 3.925 125.198 121.223 0.083 0.000 2.466 121 L HA 0.663 4.943 4.340 -0.099 0.000 0.258 121 L C -1.208 175.780 176.870 0.197 0.000 0.973 121 L CA -0.584 54.321 54.840 0.108 0.000 0.826 121 L CB 1.894 43.998 42.059 0.075 0.000 1.372 121 L HN 0.511 nan 8.230 nan 0.000 0.409 122 S N 1.552 117.372 115.700 0.201 0.000 2.451 122 S HA 0.809 5.219 4.470 -0.099 0.000 0.301 122 S C -1.032 173.818 174.600 0.417 0.000 1.116 122 S CA -0.317 58.037 58.200 0.256 0.000 1.093 122 S CB 0.640 63.920 63.200 0.133 0.000 1.017 122 S HN 0.752 nan 8.310 nan 0.000 0.482 123 Y N 1.645 122.165 120.300 0.366 0.000 2.625 123 Y HA 0.720 5.218 4.550 -0.087 0.000 0.338 123 Y C -1.180 174.726 175.900 0.011 0.000 1.123 123 Y CA -1.239 57.016 58.100 0.259 0.000 1.046 123 Y CB 1.193 39.708 38.460 0.091 0.000 1.299 123 Y HN 0.576 nan 8.280 nan 0.000 0.464 124 K N 2.165 122.432 120.400 -0.220 0.000 2.613 124 K HA 0.507 4.768 4.320 -0.099 0.000 0.248 124 K C -1.483 175.156 176.600 0.065 0.000 0.959 124 K CA -0.549 55.438 56.287 -0.502 0.000 0.855 124 K CB 1.714 33.516 32.500 -1.163 0.000 1.143 124 K HN 0.832 nan 8.250 nan 0.000 0.437 125 S N 2.089 117.900 115.700 0.185 0.000 2.499 125 S HA 0.194 4.604 4.470 -0.099 0.000 0.279 125 S C 0.624 175.157 174.600 -0.112 0.000 1.219 125 S CA -0.301 57.934 58.200 0.058 0.000 1.062 125 S CB 0.847 64.209 63.200 0.269 0.000 0.978 125 S HN 0.691 nan 8.310 nan 0.000 0.489 126 T N 0.675 115.091 114.554 -0.230 0.000 3.084 126 T HA 0.307 4.597 4.350 -0.099 0.000 0.270 126 T C 0.435 175.045 174.700 -0.149 0.000 1.008 126 T CA -0.355 61.648 62.100 -0.162 0.000 0.900 126 T CB 0.131 68.906 68.868 -0.155 0.000 1.084 126 T HN 0.415 nan 8.240 nan 0.000 0.538 127 S N 0.287 115.882 115.700 -0.175 0.000 2.578 127 S HA 0.456 4.866 4.470 -0.099 0.000 0.301 127 S C 0.382 174.950 174.600 -0.054 0.000 1.091 127 S CA -0.582 57.544 58.200 -0.123 0.000 1.032 127 S CB 1.478 64.577 63.200 -0.168 0.000 1.064 127 S HN 0.127 nan 8.310 nan 0.000 0.508 128 E N 1.997 122.178 120.200 -0.032 0.000 2.463 128 E HA 0.186 4.477 4.350 -0.099 0.000 0.193 128 E C -0.430 176.179 176.600 0.014 0.000 1.041 128 E CA -0.100 56.298 56.400 -0.004 0.000 0.879 128 E CB -0.165 29.530 29.700 -0.008 0.000 0.997 128 E HN 0.519 nan 8.360 nan 0.000 0.478 129 N N 0.762 119.470 118.700 0.013 0.000 2.412 129 N HA -0.044 4.636 4.740 -0.099 0.000 0.254 129 N C 1.319 176.865 175.510 0.060 0.000 1.232 129 N CA 0.578 53.649 53.050 0.035 0.000 0.880 129 N CB 0.814 39.327 38.487 0.043 0.000 1.076 129 N HN 0.103 nan 8.380 nan 0.000 0.458 130 G N 2.314 111.151 108.800 0.062 0.000 2.514 130 G HA2 -0.154 3.747 3.960 -0.099 0.000 0.217 130 G HA3 -0.154 3.747 3.960 -0.099 0.000 0.217 130 G C 0.486 175.438 174.900 0.087 0.000 1.198 130 G CA 0.637 45.778 45.100 0.069 0.000 0.780 130 G HN 0.602 nan 8.290 nan 0.000 0.565 131 I N 0.355 120.980 120.570 0.091 0.000 2.406 131 I HA 0.318 4.428 4.170 -0.099 0.000 0.290 131 I C -0.880 175.335 176.117 0.162 0.000 0.999 131 I CA -0.310 61.036 61.300 0.077 0.000 1.124 131 I CB 2.133 40.080 38.000 -0.088 0.000 1.289 131 I HN 0.129 nan 8.210 nan 0.000 0.441 132 Q N 4.713 124.639 119.800 0.210 0.000 2.320 132 Q HA 0.391 4.672 4.340 -0.099 0.000 0.268 132 Q C -0.903 175.257 176.000 0.267 0.000 1.023 132 Q CA -0.562 55.407 55.803 0.276 0.000 0.744 132 Q CB 2.300 31.241 28.738 0.338 0.000 1.246 132 Q HN 0.563 nan 8.270 nan 0.000 0.462 133 S N 2.724 118.596 115.700 0.287 0.000 2.531 133 S HA 0.097 4.508 4.470 -0.099 0.000 0.279 133 S C 0.717 175.337 174.600 0.033 0.000 1.305 133 S CA -0.324 58.028 58.200 0.253 0.000 1.058 133 S CB 0.579 63.943 63.200 0.273 0.000 0.899 133 S HN 0.470 nan 8.310 nan 0.000 0.493 134 L N 2.523 123.696 121.223 -0.084 0.000 2.168 134 L HA 0.459 4.739 4.340 -0.099 0.000 0.203 134 L C 0.183 177.047 176.870 -0.010 0.000 1.078 134 L CA 1.296 55.969 54.840 -0.279 0.000 0.780 134 L CB -0.486 41.381 42.059 -0.319 0.000 0.939 134 L HN 0.699 nan 8.230 nan 0.000 0.451 135 F N -0.640 119.264 119.950 -0.075 0.000 2.615 135 F HA 0.550 5.022 4.527 -0.092 0.000 0.312 135 F C -0.692 175.129 175.800 0.034 0.000 1.119 135 F CA -0.846 57.159 58.000 0.009 0.000 0.979 135 F CB 1.627 40.660 39.000 0.054 0.000 1.266 135 F HN -0.084 nan 8.300 nan 0.000 0.444 136 S N 3.695 118.965 115.700 -0.716 0.000 2.579 136 S HA 0.922 5.332 4.470 -0.099 0.000 0.272 136 S C -2.074 172.173 174.600 -0.589 0.000 1.141 136 S CA -0.802 57.086 58.200 -0.520 0.000 0.843 136 S CB 1.851 64.916 63.200 -0.224 0.000 1.122 136 S HN 0.725 nan 8.310 nan 0.000 0.468 137 V N 0.937 120.714 119.914 -0.228 0.000 2.668 137 V HA 0.911 4.971 4.120 -0.099 0.000 0.304 137 V C 0.472 176.579 176.094 0.022 0.000 1.071 137 V CA 0.451 62.686 62.300 -0.107 0.000 0.894 137 V CB 1.257 33.067 31.823 -0.022 0.000 1.008 137 V HN 1.541 nan 8.190 nan 0.000 0.425 138 G N 3.084 111.887 108.800 0.005 0.000 2.427 138 G HA2 0.322 4.223 3.960 -0.099 0.000 0.306 138 G HA3 0.322 4.223 3.960 -0.099 0.000 0.306 138 G C -1.789 173.120 174.900 0.015 0.000 1.280 138 G CA -0.627 44.503 45.100 0.050 0.000 0.837 138 G HN 0.536 nan 8.290 nan 0.000 0.482 139 N N 0.203 118.916 118.700 0.022 0.000 2.437 139 N HA 0.356 5.036 4.740 -0.099 0.000 0.259 139 N C 1.183 176.689 175.510 -0.007 0.000 0.983 139 N CA 0.210 53.257 53.050 -0.004 0.000 0.937 139 N CB 1.680 40.157 38.487 -0.017 0.000 1.122 139 N HN 0.556 nan 8.380 nan 0.000 0.499 140 S N 0.777 116.462 115.700 -0.025 0.000 2.593 140 S HA -0.002 4.408 4.470 -0.099 0.000 0.217 140 S C 0.880 175.457 174.600 -0.038 0.000 0.966 140 S CA -0.150 58.026 58.200 -0.039 0.000 0.914 140 S CB -0.630 62.541 63.200 -0.049 0.000 0.776 140 S HN 0.621 nan 8.310 nan 0.000 0.523 141 T N 0.570 115.105 114.554 -0.032 0.000 2.813 141 T HA 0.636 4.927 4.350 -0.099 0.000 0.297 141 T C 0.458 175.138 174.700 -0.033 0.000 1.036 141 T CA -0.288 61.792 62.100 -0.032 0.000 1.044 141 T CB 0.669 69.520 68.868 -0.029 0.000 0.993 141 T HN 0.517 nan 8.240 nan 0.000 0.535 142 A N 0.628 123.428 122.820 -0.033 0.000 2.565 142 A HA 0.479 4.740 4.320 -0.099 0.000 0.237 142 A C 1.763 179.328 177.584 -0.033 0.000 1.053 142 A CA 0.233 52.251 52.037 -0.033 0.000 0.755 142 A CB -1.451 17.531 19.000 -0.029 0.000 0.980 142 A HN 2.389 nan 8.150 nan 0.000 0.506 143 G N 1.939 110.719 108.800 -0.034 0.000 2.189 143 G HA2 -0.325 3.575 3.960 -0.099 0.000 0.267 143 G HA3 -0.325 3.575 3.960 -0.099 0.000 0.267 143 G C 0.287 175.163 174.900 -0.040 0.000 0.975 143 G CA 0.945 46.024 45.100 -0.035 0.000 0.644 143 G HN 0.961 nan 8.290 nan 0.000 0.537 144 N N 0.664 119.341 118.700 -0.038 0.000 2.338 144 N HA 0.177 4.858 4.740 -0.099 0.000 0.251 144 N C 1.923 177.418 175.510 -0.026 0.000 1.199 144 N CA 0.290 53.314 53.050 -0.044 0.000 0.879 144 N CB 0.261 38.723 38.487 -0.042 0.000 1.159 144 N HN 0.535 nan 8.380 nan 0.000 0.514 145 Q N -0.238 119.552 119.800 -0.017 0.000 2.439 145 Q HA -0.124 4.157 4.340 -0.099 0.000 0.211 145 Q C -0.327 175.716 176.000 0.072 0.000 0.978 145 Q CA 1.341 57.158 55.803 0.023 0.000 0.897 145 Q CB 0.018 28.750 28.738 -0.011 0.000 0.956 145 Q HN 0.255 nan 8.270 nan 0.000 0.483 146 D N 0.886 121.252 120.400 -0.056 0.000 2.424 146 D HA 0.164 4.745 4.640 -0.099 0.000 0.220 146 D C -0.351 175.723 176.300 -0.378 0.000 1.150 146 D CA -0.029 53.849 54.000 -0.202 0.000 0.831 146 D CB 0.346 41.058 40.800 -0.146 0.000 0.981 146 D HN 0.198 nan 8.370 nan 0.000 0.500 147 R N 1.794 122.133 120.500 -0.268 0.000 2.335 147 R HA 0.318 4.598 4.340 -0.099 0.000 0.302 147 R C -0.170 176.062 176.300 -0.113 0.000 1.147 147 R CA -0.419 55.536 56.100 -0.240 0.000 1.111 147 R CB 0.678 30.893 30.300 -0.141 0.000 1.122 147 R HN 0.260 nan 8.270 nan 0.000 0.557 148 H N 0.213 119.281 119.070 -0.003 0.000 2.935 148 H HA 0.273 4.770 4.556 -0.099 0.000 0.297 148 H C -1.886 173.543 175.328 0.168 0.000 1.423 148 H CA -0.882 55.193 56.048 0.045 0.000 1.161 148 H CB 1.178 30.932 29.762 -0.014 0.000 1.841 148 H HN 0.295 nan 8.280 nan 0.000 0.506 149 F N 2.965 123.059 119.950 0.240 0.000 2.540 149 F HA 0.542 5.007 4.527 -0.102 0.000 0.317 149 F C -1.349 174.627 175.800 0.292 0.000 1.104 149 F CA -0.267 57.867 58.000 0.224 0.000 0.913 149 F CB 1.712 40.708 39.000 -0.007 0.000 1.170 149 F HN 0.881 nan 8.300 nan 0.000 0.450 150 H N 5.427 123.978 119.070 -0.865 0.000 3.064 150 H HA 0.510 5.007 4.556 -0.099 0.000 0.352 150 H C -1.964 173.007 175.328 -0.595 0.000 1.260 150 H CA -1.278 54.356 56.048 -0.690 0.000 1.160 150 H CB 1.294 30.923 29.762 -0.222 0.000 1.879 150 H HN 0.710 nan 8.280 nan 0.000 0.544 151 I N 3.390 123.699 120.570 -0.434 0.000 2.378 151 I HA 0.313 4.424 4.170 -0.099 0.000 0.291 151 I C -0.890 175.086 176.117 -0.235 0.000 0.992 151 I CA -0.947 60.155 61.300 -0.330 0.000 1.154 151 I CB 1.070 39.030 38.000 -0.065 0.000 1.315 151 I HN 0.573 nan 8.210 nan 0.000 0.448 152 Y N 6.098 126.199 120.300 -0.331 0.000 2.638 152 Y HA 0.882 5.374 4.550 -0.097 0.000 0.339 152 Y C -0.948 174.859 175.900 -0.155 0.000 1.084 152 Y CA -1.533 56.441 58.100 -0.210 0.000 1.068 152 Y CB 1.108 39.443 38.460 -0.208 0.000 1.294 152 Y HN 0.461 nan 8.280 nan 0.000 0.480 153 I N -0.527 120.067 120.570 0.039 0.000 3.042 153 I HA 0.922 5.032 4.170 -0.099 0.000 0.310 153 I C -0.432 175.817 176.117 0.220 0.000 1.117 153 I CA -0.968 60.352 61.300 0.034 0.000 1.003 153 I CB 2.496 40.477 38.000 -0.030 0.000 1.228 153 I HN 0.866 nan 8.210 nan 0.000 0.443 154 T N -1.446 113.219 114.554 0.186 0.000 2.942 154 T HA 0.352 4.642 4.350 -0.099 0.000 0.289 154 T C 0.545 175.330 174.700 0.142 0.000 1.044 154 T CA -0.364 61.841 62.100 0.175 0.000 1.023 154 T CB 1.379 70.349 68.868 0.170 0.000 1.123 154 T HN 0.898 nan 8.240 nan 0.000 0.512 155 N N 0.094 118.865 118.700 0.117 0.000 2.573 155 N HA -0.102 4.578 4.740 -0.099 0.000 0.187 155 N C 1.226 176.796 175.510 0.100 0.000 1.107 155 N CA 0.506 53.616 53.050 0.099 0.000 0.918 155 N CB -0.081 38.449 38.487 0.071 0.000 0.966 155 N HN 0.582 nan 8.380 nan 0.000 0.448 156 S N -1.485 114.282 115.700 0.112 0.000 2.582 156 S HA 0.411 4.822 4.470 -0.099 0.000 0.234 156 S C 1.280 175.960 174.600 0.133 0.000 0.961 156 S CA -0.091 58.179 58.200 0.118 0.000 0.953 156 S CB 0.280 63.549 63.200 0.114 0.000 0.800 156 S HN 0.504 nan 8.310 nan 0.000 0.471 157 G N 0.350 109.231 108.800 0.136 0.000 2.159 157 G HA2 -0.134 3.766 3.960 -0.099 0.000 0.256 157 G HA3 -0.134 3.766 3.960 -0.099 0.000 0.256 157 G C 0.467 175.440 174.900 0.123 0.000 0.977 157 G CA -0.247 44.937 45.100 0.141 0.000 0.652 157 G HN 1.093 nan 8.290 nan 0.000 0.531 158 G N -0.714 108.155 108.800 0.115 0.000 2.572 158 G HA2 0.621 4.521 3.960 -0.099 0.000 0.261 158 G HA3 0.621 4.521 3.960 -0.099 0.000 0.261 158 G C -0.316 174.599 174.900 0.025 0.000 1.197 158 G CA 0.083 45.234 45.100 0.086 0.000 0.870 158 G HN 1.151 nan 8.290 nan 0.000 0.548 159 I N -0.115 120.412 120.570 -0.073 0.000 2.752 159 I HA 0.721 4.831 4.170 -0.099 0.000 0.295 159 I C 0.053 175.916 176.117 -0.424 0.000 1.219 159 I CA -0.384 60.762 61.300 -0.256 0.000 1.030 159 I CB 2.094 40.020 38.000 -0.123 0.000 1.259 159 I HN 0.920 nan 8.210 nan 0.000 0.423 160 G N 6.089 114.352 108.800 -0.895 0.000 2.489 160 G HA2 0.602 4.502 3.960 -0.099 0.000 0.305 160 G HA3 0.602 4.502 3.960 -0.099 0.000 0.305 160 G C -1.885 172.539 174.900 -0.793 0.000 1.311 160 G CA -0.440 44.231 45.100 -0.716 0.000 0.813 160 G HN 0.902 nan 8.290 nan 0.000 0.480 161 I N -3.509 116.897 120.570 -0.274 0.000 3.095 161 I HA 0.890 5.001 4.170 -0.099 0.000 0.310 161 I C -1.284 174.885 176.117 0.086 0.000 1.196 161 I CA -1.049 60.160 61.300 -0.152 0.000 0.985 161 I CB 2.745 40.785 38.000 0.066 0.000 1.250 161 I HN 0.460 nan 8.210 nan 0.000 0.446 162 E N 3.623 123.872 120.200 0.081 0.000 2.278 162 E HA 0.482 4.772 4.350 -0.099 0.000 0.272 162 E C -1.660 175.164 176.600 0.374 0.000 0.890 162 E CA -0.660 55.905 56.400 0.276 0.000 0.770 162 E CB 3.167 33.092 29.700 0.374 0.000 1.212 162 E HN 0.528 nan 8.360 nan 0.000 0.415 163 L N 4.246 125.717 121.223 0.413 0.000 2.318 163 L HA 0.516 4.796 4.340 -0.099 0.000 0.277 163 L C -0.933 176.180 176.870 0.404 0.000 1.008 163 L CA -0.414 54.711 54.840 0.475 0.000 0.846 163 L CB 0.449 42.759 42.059 0.418 0.000 1.220 163 L HN 0.448 nan 8.230 nan 0.000 0.423 164 R N 3.424 124.053 120.500 0.215 0.000 2.795 164 R HA 0.349 4.630 4.340 -0.099 0.000 0.275 164 R C -0.631 175.356 176.300 -0.522 0.000 0.981 164 R CA -0.692 55.315 56.100 -0.155 0.000 0.917 164 R CB 2.131 32.257 30.300 -0.291 0.000 1.202 164 R HN 0.568 nan 8.270 nan 0.000 0.469 165 N N 0.946 119.084 118.700 -0.937 0.000 2.577 165 N HA -0.029 4.651 4.740 -0.099 0.000 0.285 165 N C -1.489 173.680 175.510 -0.568 0.000 1.658 165 N CA 0.305 52.861 53.050 -0.823 0.000 0.865 165 N CB 0.677 38.433 38.487 -1.219 0.000 1.419 165 N HN 0.860 nan 8.380 nan 0.000 0.495 166 T N -1.993 112.318 114.554 -0.405 0.000 0.542 166 T HA -0.125 4.166 4.350 -0.099 0.000 0.774 166 T C 0.266 174.833 174.700 -0.221 0.000 0.992 166 T CA 0.138 62.089 62.100 -0.248 0.000 4.076 166 T CB -0.770 67.989 68.868 -0.182 0.000 2.303 166 T HN 0.092 nan 8.240 nan 0.000 0.398 167 D N 2.385 122.711 120.400 -0.124 0.000 2.190 167 D HA -0.021 4.559 4.640 -0.099 0.000 0.200 167 D C 2.245 178.521 176.300 -0.041 0.000 0.992 167 D CA 2.180 56.143 54.000 -0.061 0.000 0.854 167 D CB -0.886 39.900 40.800 -0.022 0.000 0.936 167 D HN 1.000 nan 8.370 nan 0.000 0.462 168 G N -0.103 108.662 108.800 -0.058 0.000 2.484 168 G HA2 -0.056 3.845 3.960 -0.099 0.000 0.218 168 G HA3 -0.056 3.845 3.960 -0.099 0.000 0.218 168 G C 1.661 176.542 174.900 -0.032 0.000 1.130 168 G CA 0.441 45.522 45.100 -0.032 0.000 0.784 168 G HN 0.256 nan 8.290 nan 0.000 0.543 169 V N -0.470 119.386 119.914 -0.097 0.000 2.484 169 V HA 0.413 4.473 4.120 -0.099 0.000 0.236 169 V C 0.321 176.421 176.094 0.010 0.000 1.062 169 V CA 1.291 63.536 62.300 -0.091 0.000 1.081 169 V CB -0.434 31.248 31.823 -0.234 0.000 0.751 169 V HN 0.391 nan 8.190 nan 0.000 0.484 170 F N -0.782 119.092 119.950 -0.127 0.000 2.708 170 F HA 0.693 5.160 4.527 -0.100 0.000 0.309 170 F C -1.388 174.307 175.800 -0.174 0.000 1.120 170 F CA -1.509 56.361 58.000 -0.215 0.000 0.978 170 F CB 1.164 39.834 39.000 -0.549 0.000 1.283 170 F HN -0.053 nan 8.300 nan 0.000 0.439 171 N N 2.206 121.048 118.700 0.236 0.000 2.710 171 N HA 0.260 4.940 4.740 -0.099 0.000 0.244 171 N C -2.293 173.480 175.510 0.437 0.000 1.321 171 N CA -0.389 52.802 53.050 0.235 0.000 0.758 171 N CB 0.321 38.888 38.487 0.132 0.000 1.284 171 N HN 0.599 nan 8.380 nan 0.000 0.530 172 Y N 0.861 121.299 120.300 0.231 0.000 2.350 172 Y HA 0.466 4.956 4.550 -0.100 0.000 0.340 172 Y C 0.922 176.914 175.900 0.154 0.000 1.006 172 Y CA -0.923 57.264 58.100 0.145 0.000 1.166 172 Y CB 0.812 39.321 38.460 0.081 0.000 1.168 172 Y HN 0.327 nan 8.280 nan 0.000 0.502 173 T N 1.694 116.401 114.554 0.255 0.000 2.906 173 T HA 0.785 5.075 4.350 -0.099 0.000 0.295 173 T C -1.358 173.416 174.700 0.123 0.000 1.061 173 T CA -0.863 61.352 62.100 0.191 0.000 1.000 173 T CB 2.225 71.192 68.868 0.165 0.000 1.103 173 T HN 0.368 nan 8.240 nan 0.000 0.486 174 L N 1.944 123.229 121.223 0.103 0.000 2.549 174 L HA 0.746 5.026 4.340 -0.099 0.000 0.259 174 L C -1.971 174.907 176.870 0.014 0.000 0.934 174 L CA -0.138 54.731 54.840 0.048 0.000 0.865 174 L CB 2.079 44.163 42.059 0.042 0.000 1.352 174 L HN 1.146 nan 8.230 nan 0.000 0.410 175 D N 3.221 123.622 120.400 0.001 0.000 2.671 175 D HA 0.443 5.024 4.640 -0.099 0.000 0.273 175 D C -1.532 174.760 176.300 -0.015 0.000 1.264 175 D CA -0.739 53.244 54.000 -0.028 0.000 0.788 175 D CB 2.138 42.955 40.800 0.029 0.000 1.324 175 D HN 0.563 nan 8.370 nan 0.000 0.424 176 R N 0.788 121.277 120.500 -0.018 0.000 2.542 176 R HA 0.379 4.660 4.340 -0.099 0.000 0.284 176 R C -3.002 173.312 176.300 0.024 0.000 1.167 176 R CA -1.230 54.872 56.100 0.003 0.000 1.000 176 R CB 2.297 32.590 30.300 -0.011 0.000 1.229 176 R HN 0.260 nan 8.270 nan 0.000 0.416 177 P HA 0.044 nan 4.420 nan 0.000 0.271 177 P C -0.477 176.876 177.300 0.088 0.000 1.244 177 P CA 0.314 63.462 63.100 0.081 0.000 0.793 177 P CB 0.617 32.377 31.700 0.099 0.000 0.984 178 A N 0.438 123.329 122.820 0.120 0.000 2.665 178 A HA -0.229 4.032 4.320 -0.099 0.000 0.301 178 A C 1.499 179.142 177.584 0.098 0.000 1.509 178 A CA 1.481 53.598 52.037 0.134 0.000 0.789 178 A CB -2.484 16.625 19.000 0.181 0.000 1.024 178 A HN 0.412 nan 8.150 nan 0.000 0.460 179 S N -1.981 113.771 115.700 0.087 0.000 2.456 179 S HA 0.310 4.720 4.470 -0.099 0.000 0.224 179 S C 1.002 175.665 174.600 0.105 0.000 1.035 179 S CA 0.852 59.097 58.200 0.075 0.000 0.940 179 S CB 0.111 63.342 63.200 0.051 0.000 0.799 179 S HN 1.726 nan 8.310 nan 0.000 0.508 180 V N 0.471 120.464 119.914 0.132 0.000 3.155 180 V HA 0.806 4.867 4.120 -0.099 0.000 0.313 180 V C -0.723 175.461 176.094 0.151 0.000 1.162 180 V CA -1.511 60.886 62.300 0.162 0.000 1.048 180 V CB 1.937 33.904 31.823 0.239 0.000 1.092 180 V HN 0.400 nan 8.190 nan 0.000 0.447 181 R N 0.954 121.529 120.500 0.125 0.000 2.905 181 R HA 0.957 5.238 4.340 -0.099 0.000 0.260 181 R C 0.056 176.384 176.300 0.046 0.000 1.086 181 R CA -0.258 55.898 56.100 0.093 0.000 0.978 181 R CB 1.873 32.218 30.300 0.074 0.000 1.215 181 R HN 0.899 nan 8.270 nan 0.000 0.480 182 A N 0.522 123.360 122.820 0.030 0.000 1.999 182 A HA 0.312 4.572 4.320 -0.099 0.000 0.200 182 A C 0.264 177.812 177.584 -0.059 0.000 1.363 182 A CA 0.009 52.044 52.037 -0.003 0.000 0.844 182 A CB 0.349 19.367 19.000 0.030 0.000 0.954 182 A HN 0.510 nan 8.150 nan 0.000 0.481 183 L N -1.095 120.110 121.223 -0.029 0.000 2.381 183 L HA 0.736 5.016 4.340 -0.099 0.000 0.268 183 L C -1.716 175.192 176.870 0.063 0.000 0.997 183 L CA -0.996 53.828 54.840 -0.026 0.000 0.818 183 L CB 2.335 44.370 42.059 -0.040 0.000 1.310 183 L HN 0.285 nan 8.230 nan 0.000 0.416 184 Y N 3.996 124.232 120.300 -0.107 0.000 2.361 184 Y HA 0.345 4.836 4.550 -0.099 0.000 0.328 184 Y C -0.450 175.486 175.900 0.060 0.000 1.044 184 Y CA -1.334 56.749 58.100 -0.027 0.000 1.085 184 Y CB 1.286 39.642 38.460 -0.173 0.000 1.194 184 Y HN 0.691 nan 8.280 nan 0.000 0.438 185 K N 4.890 125.147 120.400 -0.238 0.000 3.278 185 K HA -0.212 4.049 4.320 -0.099 0.000 0.270 185 K C 0.933 177.517 176.600 -0.026 0.000 0.955 185 K CA 1.131 57.354 56.287 -0.106 0.000 0.723 185 K CB -1.504 30.766 32.500 -0.382 0.000 1.382 185 K HN 1.437 nan 8.250 nan 0.000 0.461 186 G N -0.495 108.273 108.800 -0.053 0.000 2.212 186 G HA2 -0.338 3.562 3.960 -0.099 0.000 0.266 186 G HA3 -0.338 3.562 3.960 -0.099 0.000 0.266 186 G C -0.146 174.719 174.900 -0.059 0.000 0.978 186 G CA 0.895 45.945 45.100 -0.083 0.000 0.632 186 G HN 0.513 nan 8.290 nan 0.000 0.537 187 E N -0.103 120.076 120.200 -0.034 0.000 2.288 187 E HA 0.521 4.811 4.350 -0.099 0.000 0.268 187 E C -0.065 176.515 176.600 -0.033 0.000 0.885 187 E CA -1.210 55.177 56.400 -0.023 0.000 0.767 187 E CB 1.232 30.938 29.700 0.010 0.000 1.220 187 E HN 0.074 nan 8.360 nan 0.000 0.427 188 R N 1.220 121.687 120.500 -0.055 0.000 2.537 188 R HA 0.165 4.445 4.340 -0.099 0.000 0.280 188 R C -0.043 176.188 176.300 -0.115 0.000 1.058 188 R CA -0.040 56.001 56.100 -0.097 0.000 1.057 188 R CB 0.321 30.551 30.300 -0.118 0.000 0.973 188 R HN 0.403 nan 8.270 nan 0.000 0.438 189 V N 0.099 119.906 119.914 -0.178 0.000 2.960 189 V HA 0.581 4.641 4.120 -0.099 0.000 0.315 189 V C -0.164 175.807 176.094 -0.206 0.000 1.087 189 V CA -1.200 61.006 62.300 -0.157 0.000 0.982 189 V CB 1.559 33.130 31.823 -0.420 0.000 1.039 189 V HN 0.425 nan 8.190 nan 0.000 0.437 190 F N 1.852 121.790 119.950 -0.021 0.000 2.418 190 F HA 0.529 5.054 4.527 -0.002 0.000 0.341 190 F C 0.596 176.355 175.800 -0.068 0.000 1.120 190 F CA 0.440 58.389 58.000 -0.085 0.000 1.232 190 F CB 0.946 39.941 39.000 -0.008 0.000 1.175 190 F HN 0.654 nan 8.300 nan 0.000 0.569 191 N N -0.245 118.360 118.700 -0.158 0.000 2.240 191 N HA 0.562 5.242 4.740 -0.099 0.000 0.302 191 N C -1.497 174.020 175.510 0.011 0.000 1.106 191 N CA -0.831 52.169 53.050 -0.083 0.000 0.778 191 N CB 2.002 40.363 38.487 -0.211 0.000 1.431 191 N HN 0.363 nan 8.380 nan 0.000 0.479 192 T N 0.366 114.991 114.554 0.119 0.000 2.809 192 T HA 0.597 4.888 4.350 -0.099 0.000 0.284 192 T C -0.410 174.394 174.700 0.173 0.000 0.992 192 T CA -0.706 61.481 62.100 0.145 0.000 0.957 192 T CB 0.715 69.633 68.868 0.085 0.000 0.942 192 T HN 0.347 nan 8.240 nan 0.000 0.439 193 V N -0.119 119.919 119.914 0.207 0.000 3.074 193 V HA 1.089 5.150 4.120 -0.099 0.000 0.314 193 V C -0.831 175.357 176.094 0.156 0.000 1.117 193 V CA -1.351 61.064 62.300 0.192 0.000 1.014 193 V CB 1.596 33.541 31.823 0.202 0.000 1.057 193 V HN 1.189 nan 8.190 nan 0.000 0.438 194 A N 2.496 125.429 122.820 0.187 0.000 2.566 194 A HA 0.842 5.102 4.320 -0.099 0.000 0.297 194 A C -1.618 176.128 177.584 0.270 0.000 1.059 194 A CA -0.466 51.676 52.037 0.176 0.000 0.691 194 A CB 1.748 20.786 19.000 0.063 0.000 1.282 194 A HN 1.921 nan 8.150 nan 0.000 0.401 195 L N 1.265 122.628 121.223 0.235 0.000 2.362 195 L HA 0.776 5.057 4.340 -0.099 0.000 0.275 195 L C -0.401 176.596 176.870 0.212 0.000 0.998 195 L CA -0.276 54.725 54.840 0.269 0.000 0.820 195 L CB 1.643 43.910 42.059 0.346 0.000 1.270 195 L HN 0.697 nan 8.230 nan 0.000 0.415 196 K N 4.661 125.183 120.400 0.204 0.000 2.450 196 K HA 0.794 5.055 4.320 -0.099 0.000 0.257 196 K C -1.408 175.216 176.600 0.039 0.000 0.953 196 K CA -0.547 55.800 56.287 0.099 0.000 0.844 196 K CB 1.600 34.192 32.500 0.153 0.000 1.103 196 K HN 0.753 nan 8.250 nan 0.000 0.429 197 A N 4.127 126.879 122.820 -0.113 0.000 2.322 197 A HA 0.210 4.470 4.320 -0.099 0.000 0.327 197 A C -1.001 176.532 177.584 -0.085 0.000 1.394 197 A CA -0.599 51.353 52.037 -0.141 0.000 0.921 197 A CB 0.527 19.014 19.000 -0.854 0.000 1.153 197 A HN 0.759 nan 8.150 nan 0.000 0.523 198 D N 3.377 123.734 120.400 -0.071 0.000 2.467 198 D HA 0.507 5.087 4.640 -0.099 0.000 0.220 198 D C 1.133 176.994 176.300 -0.731 0.000 1.103 198 D CA 0.333 54.171 54.000 -0.271 0.000 0.886 198 D CB 1.250 41.960 40.800 -0.150 0.000 1.025 198 D HN 0.427 nan 8.370 nan 0.000 0.514 199 A N 3.823 126.075 122.820 -0.947 0.000 1.877 199 A HA -0.079 4.182 4.320 -0.099 0.000 0.216 199 A C 2.149 179.324 177.584 -0.682 0.000 1.186 199 A CA 1.799 53.042 52.037 -1.323 0.000 0.620 199 A CB -0.614 18.004 19.000 -0.637 0.000 0.822 199 A HN 0.605 nan 8.150 nan 0.000 0.443 200 A N 0.029 122.614 122.820 -0.391 0.000 1.917 200 A HA -0.207 4.053 4.320 -0.099 0.000 0.219 200 A C 1.729 179.186 177.584 -0.212 0.000 1.182 200 A CA 1.847 53.743 52.037 -0.235 0.000 0.633 200 A CB -0.492 18.410 19.000 -0.164 0.000 0.819 200 A HN 0.569 nan 8.150 nan 0.000 0.448 201 N N -0.571 117.990 118.700 -0.233 0.000 2.230 201 N HA 0.058 4.739 4.740 -0.099 0.000 0.202 201 N C -0.688 174.730 175.510 -0.154 0.000 1.119 201 N CA 0.186 53.142 53.050 -0.156 0.000 0.851 201 N CB 0.224 38.646 38.487 -0.108 0.000 0.990 201 N HN 0.419 nan 8.380 nan 0.000 0.497 202 K N 1.081 121.312 120.400 -0.282 0.000 3.451 202 K HA -0.240 4.021 4.320 -0.099 0.000 0.273 202 K C -0.270 176.368 176.600 0.063 0.000 0.944 202 K CA 0.590 56.801 56.287 -0.126 0.000 0.734 202 K CB -1.211 31.291 32.500 0.003 0.000 1.437 202 K HN 0.449 nan 8.250 nan 0.000 0.454 203 Q N 0.066 119.901 119.800 0.057 0.000 2.353 203 Q HA 0.415 4.696 4.340 -0.099 0.000 0.275 203 Q C -1.530 174.564 176.000 0.156 0.000 1.029 203 Q CA -0.852 55.006 55.803 0.092 0.000 0.848 203 Q CB 2.176 30.917 28.738 0.004 0.000 1.390 203 Q HN 0.397 nan 8.270 nan 0.000 0.401 204 C N 2.546 121.919 119.300 0.123 0.000 2.417 204 C HA 0.718 5.118 4.460 -0.099 0.000 0.324 204 C C -0.667 174.358 174.990 0.058 0.000 1.240 204 C CA -0.468 58.621 59.018 0.118 0.000 1.632 204 C CB 1.058 28.878 27.740 0.133 0.000 2.241 204 C HN 0.760 nan 8.230 nan 0.000 0.499 205 R N 2.576 123.117 120.500 0.069 0.000 2.621 205 R HA 0.667 4.948 4.340 -0.099 0.000 0.284 205 R C -1.621 174.661 176.300 -0.030 0.000 0.998 205 R CA -0.614 55.462 56.100 -0.040 0.000 0.895 205 R CB 1.748 32.010 30.300 -0.063 0.000 1.195 205 R HN 0.602 nan 8.270 nan 0.000 0.450 206 L N 3.354 124.454 121.223 -0.205 0.000 2.317 206 L HA 0.596 4.876 4.340 -0.099 0.000 0.281 206 L C -1.123 175.555 176.870 -0.320 0.000 1.024 206 L CA -0.599 54.183 54.840 -0.098 0.000 0.810 206 L CB 1.016 43.035 42.059 -0.067 0.000 1.240 206 L HN 0.447 nan 8.230 nan 0.000 0.427 207 F N 1.667 121.628 119.950 0.018 0.000 2.588 207 F HA 0.813 5.282 4.527 -0.096 0.000 0.314 207 F C 0.019 175.837 175.800 0.030 0.000 1.069 207 F CA -0.723 57.286 58.000 0.016 0.000 0.931 207 F CB 2.178 41.182 39.000 0.008 0.000 1.260 207 F HN 0.379 nan 8.300 nan 0.000 0.465 208 A N 1.789 124.738 122.820 0.214 0.000 2.513 208 A HA 0.584 4.845 4.320 -0.099 0.000 0.296 208 A C -0.690 176.971 177.584 0.127 0.000 1.052 208 A CA -0.983 51.151 52.037 0.161 0.000 0.714 208 A CB 0.713 19.792 19.000 0.131 0.000 1.279 208 A HN 0.819 nan 8.150 nan 0.000 0.397 209 N N 0.909 119.675 118.700 0.110 0.000 2.716 209 N HA -0.210 4.471 4.740 -0.099 0.000 0.250 209 N C 1.029 176.559 175.510 0.034 0.000 1.033 209 N CA 2.919 56.006 53.050 0.062 0.000 0.727 209 N CB -1.124 37.405 38.487 0.070 0.000 0.950 209 N HN 2.372 nan 8.380 nan 0.000 0.541 210 G N -1.826 107.007 108.800 0.054 0.000 2.157 210 G HA2 -0.289 3.611 3.960 -0.099 0.000 0.248 210 G HA3 -0.289 3.611 3.960 -0.099 0.000 0.248 210 G C -0.399 174.548 174.900 0.079 0.000 0.979 210 G CA 0.429 45.553 45.100 0.041 0.000 0.650 210 G HN 0.436 nan 8.290 nan 0.000 0.529 211 E N -0.448 119.820 120.200 0.114 0.000 2.199 211 E HA 0.533 4.823 4.350 -0.099 0.000 0.269 211 E C -0.485 176.177 176.600 0.103 0.000 0.899 211 E CA -1.112 55.343 56.400 0.092 0.000 0.772 211 E CB 2.175 31.899 29.700 0.040 0.000 1.155 211 E HN 0.294 nan 8.360 nan 0.000 0.408 212 L N 3.937 125.167 121.223 0.012 0.000 2.325 212 L HA 0.159 4.439 4.340 -0.099 0.000 0.284 212 L C 0.359 177.085 176.870 -0.239 0.000 1.089 212 L CA 0.406 55.056 54.840 -0.315 0.000 0.836 212 L CB -0.101 41.803 42.059 -0.259 0.000 1.184 212 L HN 0.615 nan 8.230 nan 0.000 0.444 213 L N 4.839 125.897 121.223 -0.275 0.000 2.102 213 L HA 0.439 4.720 4.340 -0.099 0.000 0.202 213 L C 0.928 177.718 176.870 -0.133 0.000 1.076 213 L CA 0.730 55.482 54.840 -0.146 0.000 0.761 213 L CB -0.467 41.534 42.059 -0.098 0.000 0.921 213 L HN 0.796 nan 8.230 nan 0.000 0.444 214 A N -1.231 121.478 122.820 -0.185 0.000 2.601 214 A HA 0.710 4.971 4.320 -0.099 0.000 0.291 214 A C -1.004 176.495 177.584 -0.142 0.000 1.075 214 A CA -0.388 51.575 52.037 -0.123 0.000 0.671 214 A CB 1.441 20.397 19.000 -0.073 0.000 1.277 214 A HN -0.071 nan 8.150 nan 0.000 0.417 215 T N 0.744 115.242 114.554 -0.092 0.000 2.912 215 T HA 0.609 4.899 4.350 -0.099 0.000 0.299 215 T C -1.493 173.178 174.700 -0.048 0.000 1.052 215 T CA -0.283 61.772 62.100 -0.074 0.000 0.996 215 T CB 1.388 70.213 68.868 -0.071 0.000 1.070 215 T HN 1.131 nan 8.240 nan 0.000 0.465 216 L N 2.961 124.165 121.223 -0.031 0.000 2.376 216 L HA 0.614 4.895 4.340 -0.099 0.000 0.275 216 L C -1.431 175.415 176.870 -0.039 0.000 0.987 216 L CA -0.356 54.458 54.840 -0.043 0.000 0.828 216 L CB 1.509 43.544 42.059 -0.038 0.000 1.249 216 L HN 0.500 nan 8.230 nan 0.000 0.409 217 D N 5.184 125.549 120.400 -0.060 0.000 2.192 217 D HA 0.512 5.093 4.640 -0.099 0.000 0.246 217 D C -0.698 175.549 176.300 -0.088 0.000 1.042 217 D CA -0.338 53.636 54.000 -0.044 0.000 0.847 217 D CB 1.902 42.678 40.800 -0.039 0.000 1.186 217 D HN 0.272 nan 8.370 nan 0.000 0.461 218 K N 1.800 122.169 120.400 -0.052 0.000 2.581 218 K HA 0.164 4.424 4.320 -0.099 0.000 0.249 218 K C 0.092 176.708 176.600 0.026 0.000 0.966 218 K CA -0.562 55.667 56.287 -0.098 0.000 0.811 218 K CB 2.368 34.692 32.500 -0.294 0.000 1.223 218 K HN 0.236 nan 8.250 nan 0.000 0.438 219 D N 1.442 121.853 120.400 0.019 0.000 2.117 219 D HA -0.124 4.457 4.640 -0.099 0.000 0.197 219 D C 0.408 176.766 176.300 0.098 0.000 0.987 219 D CA 1.171 55.201 54.000 0.050 0.000 0.829 219 D CB 0.441 41.262 40.800 0.034 0.000 0.961 219 D HN 0.538 nan 8.370 nan 0.000 0.460 220 A N 1.016 123.907 122.820 0.120 0.000 2.910 220 A HA 0.222 4.482 4.320 -0.099 0.000 0.316 220 A C -0.360 177.354 177.584 0.216 0.000 1.493 220 A CA -0.489 51.643 52.037 0.160 0.000 1.150 220 A CB -0.973 18.127 19.000 0.166 0.000 1.159 220 A HN 0.020 nan 8.150 nan 0.000 0.526 221 F N 2.878 122.869 119.950 0.067 0.000 2.578 221 F HA 0.330 4.797 4.527 -0.101 0.000 0.376 221 F C 0.263 176.083 175.800 0.033 0.000 1.085 221 F CA 0.889 58.930 58.000 0.069 0.000 1.260 221 F CB 0.623 39.631 39.000 0.014 0.000 1.095 221 F HN 0.331 nan 8.300 nan 0.000 0.573 222 K N 6.129 126.098 120.400 -0.719 0.000 2.482 222 K HA 0.526 4.787 4.320 -0.099 0.000 0.257 222 K C -1.488 174.718 176.600 -0.657 0.000 0.969 222 K CA -0.597 55.279 56.287 -0.685 0.000 0.842 222 K CB 2.514 34.298 32.500 -1.193 0.000 1.359 222 K HN 0.586 nan 8.250 nan 0.000 0.441 223 F N -0.059 119.572 119.950 -0.531 0.000 3.360 223 F HA 0.342 4.809 4.527 -0.102 0.000 0.327 223 F C 1.187 176.895 175.800 -0.154 0.000 1.186 223 F CA -0.968 56.818 58.000 -0.357 0.000 0.903 223 F CB 0.280 39.139 39.000 -0.236 0.000 1.533 223 F HN 0.413 nan 8.300 nan 0.000 0.515 224 I N 0.838 121.010 120.570 -0.664 0.000 2.248 224 I HA -0.302 3.809 4.170 -0.099 0.000 0.248 224 I C 2.119 178.194 176.117 -0.070 0.000 1.107 224 I CA 1.943 63.023 61.300 -0.366 0.000 1.373 224 I CB -0.588 37.151 38.000 -0.434 0.000 1.055 224 I HN 0.558 nan 8.210 nan 0.000 0.418 225 S N -0.217 115.492 115.700 0.015 0.000 2.440 225 S HA -0.182 4.229 4.470 -0.099 0.000 0.238 225 S C 1.352 175.993 174.600 0.068 0.000 1.010 225 S CA 1.260 59.498 58.200 0.063 0.000 0.972 225 S CB -0.403 62.858 63.200 0.102 0.000 0.774 225 S HN 0.469 nan 8.310 nan 0.000 0.501 226 D N 0.882 121.329 120.400 0.079 0.000 2.339 226 D HA 0.276 4.856 4.640 -0.099 0.000 0.217 226 D C 0.262 176.701 176.300 0.232 0.000 1.050 226 D CA 0.120 54.213 54.000 0.155 0.000 0.856 226 D CB 0.181 41.055 40.800 0.122 0.000 0.922 226 D HN 0.471 nan 8.370 nan 0.000 0.518 227 I N 1.592 122.252 120.570 0.150 0.000 2.395 227 I HA 0.025 4.135 4.170 -0.099 0.000 0.289 227 I C 0.486 176.607 176.117 0.006 0.000 1.023 227 I CA -0.037 61.300 61.300 0.063 0.000 1.350 227 I CB 1.218 39.245 38.000 0.046 0.000 1.409 227 I HN -0.325 nan 8.210 nan 0.000 0.507 228 T N 4.677 119.205 114.554 -0.042 0.000 2.814 228 T HA 0.283 4.574 4.350 -0.099 0.000 0.297 228 T C 0.925 175.606 174.700 -0.031 0.000 0.956 228 T CA 0.275 62.355 62.100 -0.034 0.000 1.123 228 T CB 1.013 69.848 68.868 -0.055 0.000 0.902 228 T HN 1.048 nan 8.240 nan 0.000 0.528 229 G N 2.602 111.392 108.800 -0.017 0.000 2.273 229 G HA2 -0.223 3.678 3.960 -0.099 0.000 0.280 229 G HA3 -0.223 3.678 3.960 -0.099 0.000 0.280 229 G C 0.215 175.107 174.900 -0.013 0.000 1.047 229 G CA -0.213 44.877 45.100 -0.016 0.000 0.869 229 G HN 0.782 nan 8.290 nan 0.000 0.502 230 V N 0.985 120.895 119.914 -0.006 0.000 2.617 230 V HA 0.310 4.371 4.120 -0.099 0.000 0.304 230 V C 1.143 177.232 176.094 -0.008 0.000 1.040 230 V CA 1.272 63.570 62.300 -0.004 0.000 1.149 230 V CB 1.265 33.091 31.823 0.003 0.000 0.914 230 V HN 0.684 nan 8.190 nan 0.000 0.487 231 D N 1.880 122.272 120.400 -0.013 0.000 2.562 231 D HA 0.131 4.712 4.640 -0.099 0.000 0.246 231 D C -0.151 176.135 176.300 -0.023 0.000 1.347 231 D CA -0.287 53.703 54.000 -0.018 0.000 0.800 231 D CB -0.092 40.696 40.800 -0.021 0.000 1.111 231 D HN 0.729 nan 8.370 nan 0.000 0.508 232 N N -1.255 117.431 118.700 -0.025 0.000 2.859 232 N HA 0.483 5.163 4.740 -0.099 0.000 0.250 232 N C -2.013 173.472 175.510 -0.042 0.000 1.341 232 N CA -0.908 52.123 53.050 -0.032 0.000 0.881 232 N CB 1.945 40.405 38.487 -0.045 0.000 1.516 232 N HN -0.181 nan 8.380 nan 0.000 0.503 233 V N 0.621 120.515 119.914 -0.033 0.000 2.443 233 V HA 0.669 4.729 4.120 -0.099 0.000 0.293 233 V C -0.680 175.393 176.094 -0.035 0.000 1.021 233 V CA -0.309 61.962 62.300 -0.048 0.000 0.848 233 V CB 1.248 33.113 31.823 0.071 0.000 0.998 233 V HN 0.881 nan 8.190 nan 0.000 0.424 234 T N 5.649 120.130 114.554 -0.121 0.000 2.900 234 T HA 0.684 4.974 4.350 -0.099 0.000 0.295 234 T C -1.061 173.654 174.700 0.025 0.000 1.044 234 T CA -0.506 61.579 62.100 -0.026 0.000 0.995 234 T CB 2.056 70.891 68.868 -0.054 0.000 1.072 234 T HN 0.258 nan 8.240 nan 0.000 0.473 235 L N 2.116 123.438 121.223 0.164 0.000 2.317 235 L HA 0.678 4.958 4.340 -0.099 0.000 0.281 235 L C 1.113 178.067 176.870 0.140 0.000 1.024 235 L CA 0.661 55.612 54.840 0.185 0.000 0.810 235 L CB 0.897 43.103 42.059 0.245 0.000 1.240 235 L HN 1.006 nan 8.230 nan 0.000 0.427 236 G N 2.257 111.087 108.800 0.049 0.000 2.160 236 G HA2 0.090 3.990 3.960 -0.099 0.000 0.251 236 G HA3 0.090 3.990 3.960 -0.099 0.000 0.251 236 G C 0.344 175.355 174.900 0.185 0.000 1.008 236 G CA 0.390 45.574 45.100 0.139 0.000 0.724 236 G HN 1.388 nan 8.290 nan 0.000 0.514 237 G N -2.755 106.104 108.800 0.098 0.000 2.328 237 G HA2 0.651 4.551 3.960 -0.099 0.000 0.295 237 G HA3 0.651 4.551 3.960 -0.099 0.000 0.295 237 G C -0.980 173.899 174.900 -0.036 0.000 1.413 237 G CA 0.397 45.532 45.100 0.057 0.000 0.817 237 G HN 0.923 nan 8.290 nan 0.000 0.546 238 T N 1.318 115.789 114.554 -0.137 0.000 2.840 238 T HA 0.443 4.733 4.350 -0.099 0.000 0.287 238 T C -0.158 174.364 174.700 -0.297 0.000 0.991 238 T CA -0.599 61.337 62.100 -0.275 0.000 0.964 238 T CB 1.325 69.905 68.868 -0.481 0.000 0.954 238 T HN 0.465 nan 8.240 nan 0.000 0.438 239 K N 3.688 123.959 120.400 -0.214 0.000 2.349 239 K HA 0.318 4.578 4.320 -0.099 0.000 0.289 239 K C 0.051 176.549 176.600 -0.170 0.000 1.064 239 K CA -0.086 56.102 56.287 -0.166 0.000 0.947 239 K CB 0.686 33.122 32.500 -0.106 0.000 1.007 239 K HN 0.356 nan 8.250 nan 0.000 0.478 240 R N 2.897 123.289 120.500 -0.180 0.000 2.435 240 R HA 0.119 4.399 4.340 -0.099 0.000 0.308 240 R C -0.602 175.635 176.300 -0.105 0.000 0.975 240 R CA -0.669 55.347 56.100 -0.140 0.000 0.867 240 R CB 1.484 31.660 30.300 -0.206 0.000 1.171 240 R HN 0.627 nan 8.270 nan 0.000 0.470 241 Q N 0.980 120.738 119.800 -0.070 0.000 2.451 241 Q HA -0.254 4.027 4.340 -0.099 0.000 0.305 241 Q C 0.616 176.578 176.000 -0.062 0.000 1.345 241 Q CA 0.891 56.658 55.803 -0.059 0.000 0.854 241 Q CB -1.259 27.446 28.738 -0.056 0.000 1.162 241 Q HN 1.242 nan 8.270 nan 0.000 0.440 242 G N -0.973 107.788 108.800 -0.064 0.000 2.189 242 G HA2 -0.318 3.583 3.960 -0.099 0.000 0.267 242 G HA3 -0.318 3.583 3.960 -0.099 0.000 0.267 242 G C 0.044 174.903 174.900 -0.068 0.000 0.975 242 G CA 0.853 45.917 45.100 -0.060 0.000 0.644 242 G HN 0.205 nan 8.290 nan 0.000 0.537 243 K N 0.003 120.350 120.400 -0.087 0.000 2.221 243 K HA 0.611 4.872 4.320 -0.099 0.000 0.243 243 K C 0.192 176.718 176.600 -0.122 0.000 0.968 243 K CA -1.141 55.089 56.287 -0.094 0.000 0.846 243 K CB 1.581 34.021 32.500 -0.100 0.000 1.141 243 K HN 0.034 nan 8.250 nan 0.000 0.434 244 I N 2.301 122.807 120.570 -0.105 0.000 2.308 244 I HA 0.147 4.257 4.170 -0.099 0.000 0.293 244 I C 0.587 176.605 176.117 -0.165 0.000 1.078 244 I CA -0.264 60.969 61.300 -0.112 0.000 1.292 244 I CB -0.013 37.957 38.000 -0.050 0.000 1.423 244 I HN 0.531 nan 8.210 nan 0.000 0.493 245 A N 5.704 128.350 122.820 -0.289 0.000 2.269 245 A HA 0.594 4.854 4.320 -0.099 0.000 0.319 245 A C -0.476 176.876 177.584 -0.387 0.000 1.110 245 A CA -0.414 51.334 52.037 -0.481 0.000 0.847 245 A CB 0.216 18.698 19.000 -0.863 0.000 1.161 245 A HN 0.620 nan 8.150 nan 0.000 0.497 246 Y N -2.963 117.280 120.300 -0.094 0.000 3.001 246 Y HA -0.115 4.375 4.550 -0.100 0.000 0.199 246 Y C -2.399 173.513 175.900 0.020 0.000 1.320 246 Y CA 0.176 58.247 58.100 -0.048 0.000 0.974 246 Y CB -2.665 35.743 38.460 -0.087 0.000 1.291 246 Y HN 0.410 nan 8.280 nan 0.000 0.465 247 P HA 0.127 nan 4.420 nan 0.000 0.271 247 P C 0.034 177.444 177.300 0.184 0.000 1.233 247 P CA -0.014 63.160 63.100 0.123 0.000 0.764 247 P CB 0.367 32.098 31.700 0.052 0.000 0.825 248 F N 3.739 123.726 119.950 0.060 0.000 2.377 248 F HA 0.711 5.176 4.527 -0.103 0.000 0.328 248 F C 0.265 176.097 175.800 0.053 0.000 1.094 248 F CA 0.062 58.096 58.000 0.058 0.000 1.093 248 F CB 1.251 40.285 39.000 0.057 0.000 1.214 248 F HN 0.372 nan 8.300 nan 0.000 0.518 249 G N 1.891 110.143 108.800 -0.913 0.000 2.732 249 G HA2 0.602 4.503 3.960 -0.099 0.000 0.295 249 G HA3 0.602 4.503 3.960 -0.099 0.000 0.295 249 G C -0.722 173.514 174.900 -1.108 0.000 1.456 249 G CA -0.160 44.538 45.100 -0.669 0.000 1.050 249 G HN 1.383 nan 8.290 nan 0.000 0.525 250 G N 0.104 108.520 108.800 -0.640 0.000 2.366 250 G HA2 0.463 4.364 3.960 -0.099 0.000 0.190 250 G HA3 0.463 4.364 3.960 -0.099 0.000 0.190 250 G C -0.876 174.085 174.900 0.102 0.000 1.299 250 G CA 0.101 44.999 45.100 -0.337 0.000 1.056 250 G HN 1.084 nan 8.290 nan 0.000 0.468 251 T N 1.172 115.900 114.554 0.290 0.000 2.886 251 T HA 0.571 4.862 4.350 -0.099 0.000 0.292 251 T C -0.578 174.375 174.700 0.421 0.000 1.012 251 T CA -0.387 61.905 62.100 0.320 0.000 0.982 251 T CB 1.518 70.523 68.868 0.229 0.000 1.018 251 T HN 0.514 nan 8.240 nan 0.000 0.451 252 I N 3.587 124.342 120.570 0.309 0.000 2.287 252 I HA 0.253 4.364 4.170 -0.099 0.000 0.290 252 I C 1.627 177.897 176.117 0.256 0.000 1.069 252 I CA -0.066 61.378 61.300 0.239 0.000 1.237 252 I CB 0.411 38.457 38.000 0.077 0.000 1.418 252 I HN 0.922 nan 8.210 nan 0.000 0.481 253 G N 5.452 114.493 108.800 0.402 0.000 2.446 253 G HA2 -0.176 3.725 3.960 -0.099 0.000 0.217 253 G HA3 -0.176 3.725 3.960 -0.099 0.000 0.217 253 G C 0.295 175.234 174.900 0.065 0.000 1.168 253 G CA 0.785 46.010 45.100 0.209 0.000 0.771 253 G HN 0.607 nan 8.290 nan 0.000 0.551 254 D N -2.469 117.977 120.400 0.077 0.000 2.663 254 D HA 0.497 5.078 4.640 -0.099 0.000 0.233 254 D C -1.553 174.771 176.300 0.041 0.000 1.240 254 D CA -0.687 53.333 54.000 0.033 0.000 0.774 254 D CB 1.540 42.342 40.800 0.002 0.000 1.443 254 D HN 0.082 nan 8.370 nan 0.000 0.441 255 I N 1.565 122.140 120.570 0.009 0.000 2.610 255 I HA 0.468 4.578 4.170 -0.099 0.000 0.289 255 I C -1.697 174.388 176.117 -0.053 0.000 1.163 255 I CA -0.547 60.739 61.300 -0.023 0.000 1.044 255 I CB 1.334 39.305 38.000 -0.048 0.000 1.251 255 I HN 0.310 nan 8.210 nan 0.000 0.424 256 K N 6.402 126.769 120.400 -0.055 0.000 2.397 256 K HA 0.663 4.923 4.320 -0.099 0.000 0.253 256 K C -1.534 175.001 176.600 -0.108 0.000 0.932 256 K CA -0.729 55.489 56.287 -0.116 0.000 0.795 256 K CB 2.812 35.279 32.500 -0.055 0.000 1.159 256 K HN 0.320 nan 8.250 nan 0.000 0.424 257 V N 4.069 123.866 119.914 -0.194 0.000 2.407 257 V HA 0.348 4.408 4.120 -0.099 0.000 0.291 257 V C -1.209 174.826 176.094 -0.097 0.000 1.018 257 V CA -0.905 61.351 62.300 -0.073 0.000 0.842 257 V CB 0.345 32.135 31.823 -0.055 0.000 0.996 257 V HN 0.596 nan 8.190 nan 0.000 0.426 258 Y N 1.994 122.297 120.300 0.005 0.000 2.420 258 Y HA 0.352 4.836 4.550 -0.110 0.000 0.334 258 Y C 1.564 177.476 175.900 0.021 0.000 1.094 258 Y CA -0.484 57.618 58.100 0.003 0.000 1.126 258 Y CB 2.111 40.559 38.460 -0.021 0.000 1.217 258 Y HN 0.660 nan 8.280 nan 0.000 0.462 259 S N 0.124 115.920 115.700 0.161 0.000 2.470 259 S HA -0.026 4.384 4.470 -0.099 0.000 0.225 259 S C 0.306 174.948 174.600 0.071 0.000 1.006 259 S CA 0.028 58.292 58.200 0.106 0.000 0.934 259 S CB -0.493 62.737 63.200 0.051 0.000 0.778 259 S HN 0.748 nan 8.310 nan 0.000 0.517 260 N N 1.727 120.474 118.700 0.078 0.000 2.489 260 N HA 0.487 5.167 4.740 -0.099 0.000 0.284 260 N C -0.886 174.602 175.510 -0.038 0.000 1.158 260 N CA -0.380 52.676 53.050 0.009 0.000 0.965 260 N CB 1.462 39.951 38.487 0.004 0.000 1.195 260 N HN 0.171 nan 8.380 nan 0.000 0.506 261 A N 2.166 124.937 122.820 -0.081 0.000 2.343 261 A HA 0.374 4.634 4.320 -0.099 0.000 0.305 261 A C 0.678 178.180 177.584 -0.136 0.000 1.308 261 A CA -0.695 51.276 52.037 -0.109 0.000 0.949 261 A CB -0.385 18.547 19.000 -0.113 0.000 1.148 261 A HN 0.668 nan 8.150 nan 0.000 0.545 262 L N 2.135 123.238 121.223 -0.200 0.000 2.476 262 L HA 0.207 4.488 4.340 -0.099 0.000 0.264 262 L C 1.369 178.128 176.870 -0.185 0.000 1.224 262 L CA -0.282 54.411 54.840 -0.244 0.000 0.821 262 L CB 0.710 42.535 42.059 -0.389 0.000 1.101 262 L HN 0.864 nan 8.230 nan 0.000 0.488 263 S N -0.790 114.807 115.700 -0.171 0.000 2.603 263 S HA 0.062 4.473 4.470 -0.099 0.000 0.268 263 S C 0.508 175.012 174.600 -0.160 0.000 1.317 263 S CA -0.788 57.337 58.200 -0.123 0.000 1.012 263 S CB 1.120 64.261 63.200 -0.097 0.000 0.926 263 S HN 0.559 nan 8.310 nan 0.000 0.539 264 D N 1.414 121.776 120.400 -0.062 0.000 2.144 264 D HA -0.086 4.495 4.640 -0.099 0.000 0.199 264 D C 1.712 177.938 176.300 -0.123 0.000 0.984 264 D CA 1.492 55.481 54.000 -0.019 0.000 0.834 264 D CB -0.349 40.578 40.800 0.212 0.000 0.955 264 D HN 0.717 nan 8.370 nan 0.000 0.465 265 E N 1.021 121.173 120.200 -0.079 0.000 2.077 265 E HA -0.146 4.145 4.350 -0.099 0.000 0.193 265 E C 2.021 178.539 176.600 -0.136 0.000 0.989 265 E CA 0.862 57.214 56.400 -0.079 0.000 0.800 265 E CB -0.229 29.438 29.700 -0.055 0.000 0.746 265 E HN 0.440 nan 8.360 nan 0.000 0.452 266 E N 0.157 120.252 120.200 -0.176 0.000 2.077 266 E HA -0.133 4.158 4.350 -0.099 0.000 0.193 266 E C 2.076 178.516 176.600 -0.266 0.000 0.989 266 E CA 0.815 57.096 56.400 -0.198 0.000 0.800 266 E CB -0.138 29.432 29.700 -0.216 0.000 0.746 266 E HN 0.230 nan 8.360 nan 0.000 0.452 267 L N 0.744 121.713 121.223 -0.422 0.000 2.156 267 L HA -0.147 4.134 4.340 -0.099 0.000 0.208 267 L C 2.368 178.961 176.870 -0.461 0.000 1.095 267 L CA 0.321 54.793 54.840 -0.612 0.000 0.770 267 L CB -0.261 41.046 42.059 -1.253 0.000 0.914 267 L HN 0.192 nan 8.230 nan 0.000 0.439 268 I N -0.091 120.290 120.570 -0.315 0.000 2.202 268 I HA -0.256 3.854 4.170 -0.099 0.000 0.242 268 I C 2.677 178.747 176.117 -0.079 0.000 1.091 268 I CA 1.413 62.666 61.300 -0.079 0.000 1.368 268 I CB -1.006 36.996 38.000 0.004 0.000 1.058 268 I HN 0.429 nan 8.210 nan 0.000 0.410 269 Q N 1.331 121.070 119.800 -0.102 0.000 2.050 269 Q HA -0.157 4.124 4.340 -0.099 0.000 0.202 269 Q C 2.233 178.183 176.000 -0.083 0.000 0.980 269 Q CA 2.129 57.882 55.803 -0.083 0.000 0.840 269 Q CB -0.111 28.578 28.738 -0.082 0.000 0.898 269 Q HN 0.449 nan 8.270 nan 0.000 0.424 270 A N 0.431 123.185 122.820 -0.109 0.000 1.865 270 A HA -0.195 4.066 4.320 -0.099 0.000 0.217 270 A C 2.274 179.824 177.584 -0.056 0.000 1.191 270 A CA 2.831 54.815 52.037 -0.089 0.000 0.623 270 A CB -1.201 17.727 19.000 -0.121 0.000 0.826 270 A HN 0.655 nan 8.150 nan 0.000 0.444 271 T N -3.213 111.309 114.554 -0.054 0.000 3.023 271 T HA 0.145 4.435 4.350 -0.099 0.000 0.266 271 T C 1.682 176.380 174.700 -0.004 0.000 1.093 271 T CA 1.190 63.291 62.100 0.001 0.000 1.129 271 T CB -0.497 68.404 68.868 0.054 0.000 0.899 271 T HN 0.441 nan 8.240 nan 0.000 0.491 272 G N 0.914 109.698 108.800 -0.028 0.000 2.708 272 G HA2 0.047 3.948 3.960 -0.099 0.000 0.210 272 G HA3 0.047 3.948 3.960 -0.099 0.000 0.210 272 G C 1.348 176.205 174.900 -0.072 0.000 1.141 272 G CA 0.326 45.398 45.100 -0.047 0.000 0.788 272 G HN 0.481 nan 8.290 nan 0.000 0.531 273 V N 1.062 120.939 119.914 -0.061 0.000 2.759 273 V HA -0.029 4.031 4.120 -0.099 0.000 0.256 273 V C 1.639 177.670 176.094 -0.104 0.000 1.080 273 V CA 1.840 64.096 62.300 -0.073 0.000 1.101 273 V CB -0.652 31.139 31.823 -0.054 0.000 0.698 273 V HN 0.544 nan 8.190 nan 0.000 0.477 274 T N -0.449 114.041 114.554 -0.106 0.000 2.833 274 T HA 0.606 4.896 4.350 -0.099 0.000 0.297 274 T C -0.362 174.137 174.700 -0.336 0.000 1.015 274 T CA -0.330 61.654 62.100 -0.193 0.000 0.963 274 T CB 1.334 70.211 68.868 0.015 0.000 0.955 274 T HN 0.351 nan 8.240 nan 0.000 0.449 275 T N 0.633 114.805 114.554 -0.635 0.000 2.909 275 T HA 0.703 4.994 4.350 -0.099 0.000 0.299 275 T C -1.560 172.537 174.700 -1.006 0.000 1.073 275 T CA -0.852 60.908 62.100 -0.567 0.000 0.999 275 T CB 1.347 70.048 68.868 -0.278 0.000 1.098 275 T HN 0.546 nan 8.240 nan 0.000 0.477 276 Y N 0.421 120.585 120.300 -0.227 0.000 2.406 276 Y HA 0.665 5.153 4.550 -0.103 0.000 0.340 276 Y C 0.968 176.655 175.900 -0.355 0.000 0.975 276 Y CA 0.057 57.860 58.100 -0.495 0.000 1.056 276 Y CB 2.003 39.964 38.460 -0.832 0.000 1.210 276 Y HN 1.450 nan 8.280 nan 0.000 0.448 277 G N 2.251 110.950 108.800 -0.169 0.000 2.796 277 G HA2 -0.042 3.859 3.960 -0.099 0.000 0.226 277 G HA3 -0.042 3.859 3.960 -0.099 0.000 0.226 277 G C -0.683 174.226 174.900 0.016 0.000 1.381 277 G CA -0.015 45.088 45.100 0.004 0.000 0.867 277 G HN 0.977 nan 8.290 nan 0.000 0.552 278 E N -1.216 119.039 120.200 0.092 0.000 2.445 278 E HA 0.673 4.963 4.350 -0.099 0.000 0.273 278 E C -0.347 176.298 176.600 0.076 0.000 0.961 278 E CA -1.032 55.425 56.400 0.095 0.000 0.807 278 E CB 1.283 31.093 29.700 0.184 0.000 1.362 278 E HN 0.702 nan 8.360 nan 0.000 0.453 279 N N 0.076 118.775 118.700 -0.001 0.000 2.430 279 N HA 0.385 5.066 4.740 -0.099 0.000 0.298 279 N C 0.020 175.399 175.510 -0.219 0.000 1.130 279 N CA -0.545 52.455 53.050 -0.082 0.000 0.894 279 N CB 1.744 40.202 38.487 -0.048 0.000 1.209 279 N HN 0.431 nan 8.380 nan 0.000 0.503 280 I N -0.042 120.233 120.570 -0.493 0.000 3.132 280 I HA 0.184 4.294 4.170 -0.099 0.000 0.255 280 I C -0.355 175.238 176.117 -0.872 0.000 1.118 280 I CA 0.476 61.196 61.300 -0.967 0.000 1.463 280 I CB 0.257 37.251 38.000 -1.676 0.000 1.356 280 I HN 0.322 nan 8.210 nan 0.000 0.463 281 F N 1.117 120.759 119.950 -0.514 0.000 2.450 281 F HA 0.478 4.945 4.527 -0.099 0.000 0.332 281 F C -0.409 174.986 175.800 -0.675 0.000 1.093 281 F CA -0.995 56.512 58.000 -0.823 0.000 1.003 281 F CB 1.005 39.100 39.000 -1.509 0.000 1.151 281 F HN -0.031 nan 8.300 nan 0.000 0.474 282 Y N -0.303 119.797 120.300 -0.334 0.000 2.609 282 Y HA 0.792 5.286 4.550 -0.094 0.000 0.336 282 Y C -0.968 175.061 175.900 0.215 0.000 1.129 282 Y CA -2.515 55.563 58.100 -0.036 0.000 1.040 282 Y CB 0.665 39.093 38.460 -0.052 0.000 1.310 282 Y HN 0.798 nan 8.280 nan 0.000 0.460 283 A N 1.593 124.626 122.820 0.356 0.000 2.484 283 A HA 0.494 4.755 4.320 -0.099 0.000 0.268 283 A C 1.259 178.969 177.584 0.210 0.000 1.114 283 A CA 0.944 53.081 52.037 0.167 0.000 0.780 283 A CB -1.330 17.674 19.000 0.007 0.000 1.061 283 A HN 2.208 nan 8.150 nan 0.000 0.505 284 G N 2.585 111.426 108.800 0.068 0.000 2.336 284 G HA2 -0.169 3.732 3.960 -0.099 0.000 0.194 284 G HA3 -0.169 3.732 3.960 -0.099 0.000 0.194 284 G C 0.006 174.881 174.900 -0.042 0.000 0.999 284 G CA 0.308 45.475 45.100 0.113 0.000 0.669 284 G HN 1.117 nan 8.290 nan 0.000 0.482 285 D N 0.901 121.011 120.400 -0.483 0.000 2.393 285 D HA 0.361 4.941 4.640 -0.099 0.000 0.246 285 D C 2.032 178.257 176.300 -0.124 0.000 1.275 285 D CA 0.505 54.198 54.000 -0.512 0.000 0.979 285 D CB 0.210 40.466 40.800 -0.906 0.000 1.101 285 D HN 0.839 nan 8.370 nan 0.000 0.505 286 V N -2.757 117.128 119.914 -0.048 0.000 3.241 286 V HA -0.150 3.911 4.120 -0.099 0.000 0.269 286 V C 1.873 178.018 176.094 0.084 0.000 1.151 286 V CA 1.818 64.140 62.300 0.037 0.000 1.158 286 V CB -1.963 29.895 31.823 0.057 0.000 0.764 286 V HN 0.771 nan 8.190 nan 0.000 0.508 287 T N -2.799 111.817 114.554 0.103 0.000 2.962 287 T HA -0.106 4.184 4.350 -0.099 0.000 0.270 287 T C 1.055 175.889 174.700 0.222 0.000 1.088 287 T CA 1.029 63.235 62.100 0.176 0.000 1.127 287 T CB -0.385 68.619 68.868 0.227 0.000 0.883 287 T HN 0.579 nan 8.240 nan 0.000 0.493 288 E N 0.133 120.425 120.200 0.154 0.000 3.413 288 E HA -0.142 4.148 4.350 -0.099 0.000 0.300 288 E C -0.064 176.653 176.600 0.194 0.000 0.891 288 E CA 0.895 57.406 56.400 0.185 0.000 1.050 288 E CB -2.103 27.734 29.700 0.229 0.000 1.534 288 E HN 0.647 nan 8.360 nan 0.000 0.436 289 S N -0.637 114.996 115.700 -0.111 0.000 2.509 289 S HA 0.437 4.848 4.470 -0.099 0.000 0.297 289 S C 0.894 175.176 174.600 -0.529 0.000 1.118 289 S CA -0.386 57.447 58.200 -0.612 0.000 1.074 289 S CB 0.934 63.283 63.200 -1.419 0.000 1.038 289 S HN 0.244 nan 8.310 nan 0.000 0.498 290 N N 1.727 120.110 118.700 -0.528 0.000 2.424 290 N HA 0.119 4.799 4.740 -0.099 0.000 0.178 290 N C -0.945 173.890 175.510 -1.125 0.000 1.060 290 N CA 0.467 53.084 53.050 -0.721 0.000 0.901 290 N CB 0.285 38.288 38.487 -0.808 0.000 0.979 290 N HN 0.566 nan 8.380 nan 0.000 0.451 291 Y N -0.930 118.992 120.300 -0.629 0.000 2.545 291 Y HA 0.497 4.988 4.550 -0.099 0.000 0.348 291 Y C -0.879 174.400 175.900 -1.035 0.000 1.002 291 Y CA -1.033 56.720 58.100 -0.578 0.000 1.039 291 Y CB 1.121 39.359 38.460 -0.370 0.000 1.271 291 Y HN -0.236 nan 8.280 nan 0.000 0.467 292 F N 0.818 120.743 119.950 -0.043 0.000 2.626 292 F HA 0.799 5.267 4.527 -0.099 0.000 0.311 292 F C -0.227 175.535 175.800 -0.063 0.000 1.088 292 F CA -1.128 56.809 58.000 -0.106 0.000 0.949 292 F CB 2.209 41.145 39.000 -0.108 0.000 1.322 292 F HN 0.258 nan 8.300 nan 0.000 0.461 293 R N 0.908 121.472 120.500 0.107 0.000 2.728 293 R HA 0.481 4.762 4.340 -0.099 0.000 0.274 293 R C -1.628 174.700 176.300 0.047 0.000 1.030 293 R CA -0.907 55.228 56.100 0.059 0.000 0.876 293 R CB 2.080 32.370 30.300 -0.016 0.000 1.259 293 R HN 0.660 nan 8.270 nan 0.000 0.468 294 I N 0.155 120.751 120.570 0.044 0.000 7.533 294 I HA -0.153 3.957 4.170 -0.099 0.000 0.126 294 I C -2.312 173.902 176.117 0.162 0.000 1.830 294 I CA -0.171 61.206 61.300 0.129 0.000 2.068 294 I CB -1.953 36.108 38.000 0.101 0.000 3.648 294 I HN 0.417 nan 8.210 nan 0.000 0.179 295 P HA 0.302 nan 4.420 nan 0.000 0.275 295 P C -0.119 177.302 177.300 0.200 0.000 1.228 295 P CA -0.057 63.155 63.100 0.187 0.000 0.786 295 P CB 1.993 33.814 31.700 0.201 0.000 0.927 296 S N 2.275 118.087 115.700 0.186 0.000 2.614 296 S HA 0.648 5.059 4.470 -0.099 0.000 0.288 296 S C -1.514 173.199 174.600 0.189 0.000 1.137 296 S CA -0.576 57.746 58.200 0.204 0.000 0.992 296 S CB 0.317 63.647 63.200 0.216 0.000 1.026 296 S HN 0.367 nan 8.310 nan 0.000 0.486 297 L N 4.847 126.193 121.223 0.206 0.000 2.455 297 L HA 0.919 5.199 4.340 -0.099 0.000 0.264 297 L C -2.023 174.987 176.870 0.234 0.000 0.968 297 L CA -0.523 54.436 54.840 0.198 0.000 0.827 297 L CB 1.938 44.128 42.059 0.218 0.000 1.317 297 L HN 0.720 nan 8.230 nan 0.000 0.407 298 L N 2.967 124.333 121.223 0.238 0.000 2.565 298 L HA 0.624 4.905 4.340 -0.099 0.000 0.261 298 L C -1.087 175.912 176.870 0.214 0.000 0.932 298 L CA 0.144 55.126 54.840 0.237 0.000 0.878 298 L CB 2.524 44.739 42.059 0.259 0.000 1.333 298 L HN 0.632 nan 8.230 nan 0.000 0.409 299 T N 5.452 120.120 114.554 0.189 0.000 2.767 299 T HA 0.572 4.862 4.350 -0.099 0.000 0.288 299 T C 0.231 175.012 174.700 0.135 0.000 0.963 299 T CA -0.298 61.891 62.100 0.148 0.000 1.019 299 T CB 0.428 69.374 68.868 0.130 0.000 0.923 299 T HN 0.450 nan 8.240 nan 0.000 0.468 300 L N 2.195 123.489 121.223 0.118 0.000 2.456 300 L HA 0.240 4.520 4.340 -0.099 0.000 0.257 300 L C 2.053 178.971 176.870 0.079 0.000 1.162 300 L CA -0.603 54.303 54.840 0.110 0.000 0.808 300 L CB 0.491 42.611 42.059 0.101 0.000 1.136 300 L HN 0.771 nan 8.230 nan 0.000 0.466 301 S N -1.947 113.798 115.700 0.074 0.000 2.469 301 S HA -0.147 4.264 4.470 -0.099 0.000 0.238 301 S C 1.507 176.128 174.600 0.036 0.000 0.998 301 S CA 1.087 59.320 58.200 0.054 0.000 0.957 301 S CB -0.708 62.525 63.200 0.055 0.000 0.764 301 S HN 0.891 nan 8.310 nan 0.000 0.514 302 T N -2.956 111.618 114.554 0.034 0.000 3.067 302 T HA 0.487 4.777 4.350 -0.099 0.000 0.261 302 T C 1.689 176.396 174.700 0.011 0.000 1.110 302 T CA 0.796 62.907 62.100 0.018 0.000 1.113 302 T CB -0.193 68.683 68.868 0.014 0.000 0.917 302 T HN 1.050 nan 8.240 nan 0.000 0.499 303 G N 0.609 109.420 108.800 0.018 0.000 2.238 303 G HA2 -0.197 3.703 3.960 -0.099 0.000 0.217 303 G HA3 -0.197 3.703 3.960 -0.099 0.000 0.217 303 G C 0.238 175.135 174.900 -0.005 0.000 0.996 303 G CA -0.078 45.026 45.100 0.007 0.000 0.632 303 G HN 0.682 nan 8.290 nan 0.000 0.503 304 T N 1.509 116.063 114.554 -0.000 0.000 2.901 304 T HA 0.484 4.775 4.350 -0.099 0.000 0.301 304 T C 0.362 175.066 174.700 0.007 0.000 1.012 304 T CA 0.208 62.297 62.100 -0.019 0.000 1.135 304 T CB 2.234 71.106 68.868 0.006 0.000 0.936 304 T HN 0.561 nan 8.240 nan 0.000 0.539 305 V N 5.414 125.299 119.914 -0.049 0.000 2.398 305 V HA 0.529 4.590 4.120 -0.099 0.000 0.286 305 V C 0.327 176.479 176.094 0.096 0.000 1.026 305 V CA -0.878 61.444 62.300 0.036 0.000 0.868 305 V CB 0.841 32.672 31.823 0.014 0.000 0.982 305 V HN 0.795 nan 8.190 nan 0.000 0.443 306 I N 2.405 123.087 120.570 0.187 0.000 2.750 306 I HA 1.016 5.127 4.170 -0.099 0.000 0.308 306 I C -0.055 176.145 176.117 0.138 0.000 1.016 306 I CA -0.438 60.944 61.300 0.138 0.000 1.098 306 I CB 2.455 40.589 38.000 0.222 0.000 1.279 306 I HN 0.660 nan 8.210 nan 0.000 0.454 307 S N 2.470 118.130 115.700 -0.067 0.000 2.579 307 S HA 0.963 5.373 4.470 -0.099 0.000 0.272 307 S C -0.861 173.804 174.600 0.110 0.000 1.141 307 S CA -0.458 57.730 58.200 -0.020 0.000 0.843 307 S CB 1.738 64.743 63.200 -0.325 0.000 1.122 307 S HN 1.445 nan 8.310 nan 0.000 0.468 308 A N 0.255 123.216 122.820 0.235 0.000 2.609 308 A HA 1.055 5.315 4.320 -0.099 0.000 0.291 308 A C -0.706 176.911 177.584 0.055 0.000 1.096 308 A CA -0.493 51.671 52.037 0.211 0.000 0.684 308 A CB 1.046 20.196 19.000 0.250 0.000 1.282 308 A HN 2.390 nan 8.150 nan 0.000 0.412 309 A N 0.492 123.192 122.820 -0.201 0.000 2.597 309 A HA 0.643 4.903 4.320 -0.099 0.000 0.292 309 A C -1.809 175.669 177.584 -0.178 0.000 1.057 309 A CA -0.640 51.290 52.037 -0.179 0.000 0.674 309 A CB 0.711 19.558 19.000 -0.256 0.000 1.278 309 A HN 0.719 nan 8.150 nan 0.000 0.416 310 D N 1.305 121.666 120.400 -0.064 0.000 2.425 310 D HA 0.468 5.048 4.640 -0.099 0.000 0.247 310 D C 0.331 176.572 176.300 -0.099 0.000 1.147 310 D CA 1.192 55.155 54.000 -0.062 0.000 0.879 310 D CB 1.235 42.007 40.800 -0.046 0.000 1.179 310 D HN 0.818 nan 8.370 nan 0.000 0.456 311 A N 4.259 126.977 122.820 -0.169 0.000 2.444 311 A HA 0.309 4.570 4.320 -0.099 0.000 0.332 311 A C 0.080 177.331 177.584 -0.554 0.000 1.430 311 A CA -0.685 51.080 52.037 -0.453 0.000 0.975 311 A CB 0.166 18.972 19.000 -0.323 0.000 1.147 311 A HN 0.423 nan 8.150 nan 0.000 0.524 312 R N 2.592 122.763 120.500 -0.548 0.000 2.235 312 R HA 0.260 4.540 4.340 -0.099 0.000 0.338 312 R C -0.430 175.646 176.300 -0.373 0.000 1.087 312 R CA -0.091 55.798 56.100 -0.352 0.000 0.948 312 R CB 0.319 30.467 30.300 -0.253 0.000 1.099 312 R HN 0.814 nan 8.270 nan 0.000 0.483 313 Y N 0.828 121.027 120.300 -0.169 0.000 2.220 313 Y HA -0.007 4.484 4.550 -0.098 0.000 0.291 313 Y C 2.160 177.983 175.900 -0.130 0.000 1.129 313 Y CA 0.946 59.010 58.100 -0.060 0.000 1.161 313 Y CB 0.151 38.630 38.460 0.031 0.000 0.997 313 Y HN 0.616 nan 8.280 nan 0.000 0.522 314 G N 0.285 108.869 108.800 -0.359 0.000 3.636 314 G HA2 0.451 4.351 3.960 -0.099 0.000 0.260 314 G HA3 0.451 4.351 3.960 -0.099 0.000 0.260 314 G C 0.563 174.407 174.900 -1.761 0.000 1.014 314 G CA 0.254 44.611 45.100 -1.239 0.000 1.797 314 G HN 0.627 nan 8.290 nan 0.000 0.637 315 G N 0.810 108.808 108.800 -1.337 0.000 2.750 315 G HA2 -0.102 3.798 3.960 -0.099 0.000 0.228 315 G HA3 -0.102 3.798 3.960 -0.099 0.000 0.228 315 G C 0.955 175.295 174.900 -0.934 0.000 1.367 315 G CA 0.424 44.602 45.100 -1.536 0.000 0.871 315 G HN 1.275 nan 8.290 nan 0.000 0.560 316 T N -2.485 111.715 114.554 -0.590 0.000 3.188 316 T HA 0.317 4.608 4.350 -0.099 0.000 0.250 316 T C 0.869 175.404 174.700 -0.276 0.000 1.077 316 T CA 0.908 62.791 62.100 -0.360 0.000 0.967 316 T CB -0.355 68.375 68.868 -0.230 0.000 1.006 316 T HN 0.790 nan 8.240 nan 0.000 0.552 317 H N 1.924 120.868 119.070 -0.209 0.000 2.871 317 H HA 0.241 4.738 4.556 -0.098 0.000 0.355 317 H C 0.203 175.427 175.328 -0.174 0.000 1.092 317 H CA -0.329 55.617 56.048 -0.170 0.000 1.420 317 H CB 0.367 30.018 29.762 -0.185 0.000 1.400 317 H HN 0.227 nan 8.280 nan 0.000 0.604 318 D N 0.736 121.133 120.400 -0.004 0.000 2.371 318 D HA 0.009 4.590 4.640 -0.099 0.000 0.242 318 D C 0.231 176.482 176.300 -0.083 0.000 1.218 318 D CA -0.191 53.774 54.000 -0.058 0.000 0.945 318 D CB 0.593 41.359 40.800 -0.057 0.000 1.137 318 D HN 0.444 nan 8.370 nan 0.000 0.464 319 S N 0.355 115.995 115.700 -0.100 0.000 2.571 319 S HA -0.057 4.353 4.470 -0.099 0.000 0.298 319 S C 0.477 174.987 174.600 -0.150 0.000 1.280 319 S CA 0.800 58.923 58.200 -0.127 0.000 1.052 319 S CB 0.042 63.169 63.200 -0.123 0.000 0.799 319 S HN 0.555 nan 8.310 nan 0.000 0.501 320 K N 0.895 121.188 120.400 -0.178 0.000 1.970 320 K HA -0.029 4.231 4.320 -0.099 0.000 0.950 320 K C -0.872 175.587 176.600 -0.234 0.000 0.794 320 K CA 0.557 56.720 56.287 -0.206 0.000 0.916 320 K CB -1.327 31.062 32.500 -0.185 0.000 3.123 320 K HN 0.637 nan 8.250 nan 0.000 0.224 321 S N 1.021 116.560 115.700 -0.268 0.000 2.654 321 S HA 0.387 4.797 4.470 -0.099 0.000 0.267 321 S C -2.259 172.144 174.600 -0.328 0.000 1.151 321 S CA -0.894 57.121 58.200 -0.308 0.000 0.873 321 S CB 1.128 64.182 63.200 -0.243 0.000 1.181 321 S HN 0.332 nan 8.310 nan 0.000 0.489 322 K N 2.234 122.446 120.400 -0.313 0.000 2.367 322 K HA 0.638 4.899 4.320 -0.099 0.000 0.263 322 K C -1.554 175.055 176.600 0.014 0.000 1.000 322 K CA -0.324 55.834 56.287 -0.215 0.000 0.891 322 K CB -0.108 32.206 32.500 -0.311 0.000 1.117 322 K HN 0.625 nan 8.250 nan 0.000 0.443 323 I N 2.927 123.538 120.570 0.068 0.000 2.656 323 I HA 0.328 4.439 4.170 -0.099 0.000 0.292 323 I C -0.504 175.734 176.117 0.201 0.000 1.144 323 I CA -0.978 60.408 61.300 0.145 0.000 1.038 323 I CB 2.340 40.351 38.000 0.020 0.000 1.244 323 I HN 0.426 nan 8.210 nan 0.000 0.420 324 N N 4.381 123.230 118.700 0.248 0.000 2.453 324 N HA 0.587 5.267 4.740 -0.099 0.000 0.290 324 N C -1.190 174.355 175.510 0.057 0.000 1.250 324 N CA -0.582 52.581 53.050 0.189 0.000 0.815 324 N CB 2.239 40.874 38.487 0.245 0.000 1.381 324 N HN 0.289 nan 8.380 nan 0.000 0.510 325 I N 1.048 121.590 120.570 -0.047 0.000 2.354 325 I HA 0.453 4.563 4.170 -0.099 0.000 0.292 325 I C 0.365 176.411 176.117 -0.119 0.000 0.989 325 I CA -0.948 60.287 61.300 -0.109 0.000 1.188 325 I CB 0.433 38.323 38.000 -0.183 0.000 1.342 325 I HN 0.440 nan 8.210 nan 0.000 0.457 326 A N 6.688 129.408 122.820 -0.166 0.000 2.295 326 A HA 0.796 5.057 4.320 -0.099 0.000 0.318 326 A C -1.171 176.417 177.584 0.006 0.000 1.134 326 A CA -0.363 51.581 52.037 -0.154 0.000 0.827 326 A CB 1.203 19.952 19.000 -0.418 0.000 1.136 326 A HN 0.564 nan 8.150 nan 0.000 0.493 327 F N 0.336 120.360 119.950 0.125 0.000 2.591 327 F HA 0.702 5.170 4.527 -0.098 0.000 0.309 327 F C -0.242 175.805 175.800 0.412 0.000 1.098 327 F CA 0.068 58.244 58.000 0.294 0.000 0.937 327 F CB 1.899 41.015 39.000 0.194 0.000 1.250 327 F HN 0.953 nan 8.300 nan 0.000 0.447 328 A N 4.764 127.350 122.820 -0.390 0.000 2.604 328 A HA 0.742 5.002 4.320 -0.099 0.000 0.295 328 A C -1.856 175.516 177.584 -0.354 0.000 1.067 328 A CA -0.865 51.004 52.037 -0.280 0.000 0.683 328 A CB 1.956 20.783 19.000 -0.288 0.000 1.281 328 A HN 0.866 nan 8.150 nan 0.000 0.407 329 K N -0.408 119.973 120.400 -0.032 0.000 2.482 329 K HA 0.831 5.091 4.320 -0.099 0.000 0.257 329 K C -0.974 175.511 176.600 -0.191 0.000 0.969 329 K CA -0.524 55.758 56.287 -0.008 0.000 0.842 329 K CB 2.151 34.634 32.500 -0.028 0.000 1.359 329 K HN 0.694 nan 8.250 nan 0.000 0.441 330 S N 0.176 115.534 115.700 -0.571 0.000 2.532 330 S HA 0.311 4.721 4.470 -0.099 0.000 0.299 330 S C -0.084 174.260 174.600 -0.426 0.000 1.105 330 S CA -0.451 57.254 58.200 -0.825 0.000 1.018 330 S CB 1.231 63.425 63.200 -1.676 0.000 1.021 330 S HN 0.722 nan 8.310 nan 0.000 0.483 331 T N 0.043 114.418 114.554 -0.299 0.000 3.129 331 T HA 0.250 4.541 4.350 -0.099 0.000 0.267 331 T C -0.113 174.492 174.700 -0.158 0.000 1.018 331 T CA -0.171 61.824 62.100 -0.175 0.000 0.903 331 T CB -0.276 68.525 68.868 -0.110 0.000 1.067 331 T HN 0.611 nan 8.240 nan 0.000 0.549 332 D N 0.329 120.601 120.400 -0.213 0.000 2.804 332 D HA 0.337 4.918 4.640 -0.099 0.000 0.308 332 D C 1.254 177.473 176.300 -0.135 0.000 1.371 332 D CA -0.468 53.443 54.000 -0.150 0.000 0.823 332 D CB -0.267 40.452 40.800 -0.134 0.000 1.126 332 D HN 0.339 nan 8.370 nan 0.000 0.467 333 G N -0.202 108.518 108.800 -0.133 0.000 2.160 333 G HA2 -0.024 3.877 3.960 -0.099 0.000 0.251 333 G HA3 -0.024 3.877 3.960 -0.099 0.000 0.251 333 G C 1.142 176.022 174.900 -0.032 0.000 1.008 333 G CA 0.367 45.429 45.100 -0.063 0.000 0.724 333 G HN 1.492 nan 8.290 nan 0.000 0.514 334 G N -1.401 107.274 108.800 -0.208 0.000 2.157 334 G HA2 -0.291 3.610 3.960 -0.099 0.000 0.239 334 G HA3 -0.291 3.610 3.960 -0.099 0.000 0.239 334 G C 0.960 175.884 174.900 0.039 0.000 0.982 334 G CA 0.930 45.965 45.100 -0.110 0.000 0.650 334 G HN 0.729 nan 8.290 nan 0.000 0.527 335 N N 0.377 119.012 118.700 -0.109 0.000 2.148 335 N HA 0.070 4.750 4.740 -0.099 0.000 0.186 335 N C 1.455 176.923 175.510 -0.069 0.000 1.031 335 N CA 1.900 54.941 53.050 -0.015 0.000 0.848 335 N CB -0.171 38.294 38.487 -0.037 0.000 1.005 335 N HN 0.855 nan 8.380 nan 0.000 0.427 336 T N -2.633 111.759 114.554 -0.270 0.000 2.908 336 T HA 0.609 4.899 4.350 -0.099 0.000 0.290 336 T C -1.156 173.226 174.700 -0.529 0.000 1.034 336 T CA -0.813 61.161 62.100 -0.209 0.000 1.010 336 T CB 1.550 70.355 68.868 -0.106 0.000 1.068 336 T HN 0.076 nan 8.240 nan 0.000 0.481 337 W N 1.216 122.445 121.300 -0.119 0.000 2.761 337 W HA 0.608 5.206 4.660 -0.102 0.000 0.340 337 W C 0.647 177.093 176.519 -0.123 0.000 1.072 337 W CA -0.746 56.495 57.345 -0.174 0.000 1.215 337 W CB 1.808 31.090 29.460 -0.295 0.000 1.420 337 W HN 1.006 nan 8.180 nan 0.000 0.519 338 S N 0.076 115.829 115.700 0.088 0.000 2.596 338 S HA 0.142 4.552 4.470 -0.099 0.000 0.260 338 S C 0.108 174.758 174.600 0.083 0.000 1.336 338 S CA -0.655 57.586 58.200 0.068 0.000 0.993 338 S CB 0.824 64.067 63.200 0.071 0.000 0.923 338 S HN 0.564 nan 8.310 nan 0.000 0.567 339 E N 2.190 122.442 120.200 0.086 0.000 2.417 339 E HA 0.150 4.440 4.350 -0.099 0.000 0.261 339 E C -1.970 174.702 176.600 0.119 0.000 1.000 339 E CA -1.763 54.690 56.400 0.089 0.000 0.919 339 E CB 0.296 30.049 29.700 0.087 0.000 0.955 339 E HN 0.463 nan 8.360 nan 0.000 0.455 340 P HA -0.002 nan 4.420 nan 0.000 0.271 340 P C -0.669 176.767 177.300 0.228 0.000 1.218 340 P CA -0.148 63.084 63.100 0.219 0.000 0.780 340 P CB 1.063 32.935 31.700 0.287 0.000 0.901 341 T N -0.635 114.097 114.554 0.297 0.000 2.927 341 T HA 0.553 4.844 4.350 -0.099 0.000 0.286 341 T C -0.358 174.446 174.700 0.174 0.000 1.040 341 T CA -0.835 61.405 62.100 0.233 0.000 1.010 341 T CB 0.875 69.910 68.868 0.278 0.000 1.177 341 T HN 0.080 nan 8.240 nan 0.000 0.546 342 L N 2.072 123.342 121.223 0.078 0.000 2.495 342 L HA 0.423 4.704 4.340 -0.099 0.000 0.248 342 L C -1.982 174.797 176.870 -0.151 0.000 1.229 342 L CA -2.467 52.367 54.840 -0.011 0.000 0.942 342 L CB 0.741 42.820 42.059 0.033 0.000 1.242 342 L HN 0.499 nan 8.230 nan 0.000 0.484 343 P HA -0.047 nan 4.420 nan 0.000 0.220 343 P C 0.014 176.942 177.300 -0.619 0.000 1.148 343 P CA 0.821 63.534 63.100 -0.646 0.000 0.803 343 P CB 0.409 31.307 31.700 -1.336 0.000 0.782 344 L N 0.198 121.060 121.223 -0.601 0.000 2.377 344 L HA 0.402 4.683 4.340 -0.099 0.000 0.270 344 L C -0.032 176.480 176.870 -0.597 0.000 0.991 344 L CA -0.710 53.593 54.840 -0.894 0.000 0.851 344 L CB 0.963 42.285 42.059 -1.228 0.000 1.218 344 L HN -0.028 nan 8.230 nan 0.000 0.420 345 K N 1.811 121.981 120.400 -0.384 0.000 2.556 345 K HA 0.731 4.991 4.320 -0.099 0.000 0.274 345 K C -1.648 174.911 176.600 -0.068 0.000 0.966 345 K CA -0.765 55.476 56.287 -0.077 0.000 0.865 345 K CB 1.967 34.459 32.500 -0.013 0.000 1.444 345 K HN -0.004 nan 8.250 nan 0.000 0.433 346 F N 0.624 120.731 119.950 0.261 0.000 2.561 346 F HA 0.366 4.834 4.527 -0.099 0.000 0.321 346 F C 0.233 176.120 175.800 0.145 0.000 1.065 346 F CA -0.918 57.245 58.000 0.271 0.000 0.934 346 F CB 1.985 41.121 39.000 0.227 0.000 1.215 346 F HN 0.643 nan 8.300 nan 0.000 0.471 347 D N 0.015 120.655 120.400 0.400 0.000 2.479 347 D HA -0.002 4.579 4.640 -0.099 0.000 0.218 347 D C 1.132 177.396 176.300 -0.060 0.000 1.177 347 D CA 0.327 54.419 54.000 0.154 0.000 0.830 347 D CB 0.176 41.088 40.800 0.186 0.000 1.014 347 D HN 0.549 nan 8.370 nan 0.000 0.503 348 D N -0.120 120.014 120.400 -0.442 0.000 2.178 348 D HA -0.210 4.370 4.640 -0.099 0.000 0.201 348 D C 0.217 176.516 176.300 -0.001 0.000 0.980 348 D CA 0.918 54.580 54.000 -0.564 0.000 0.842 348 D CB -0.155 39.990 40.800 -1.092 0.000 0.948 348 D HN 0.181 nan 8.370 nan 0.000 0.472 349 Y N -0.014 120.202 120.300 -0.140 0.000 2.409 349 Y HA 0.394 4.884 4.550 -0.100 0.000 0.343 349 Y C 0.365 176.283 175.900 0.029 0.000 0.973 349 Y CA -1.630 56.481 58.100 0.018 0.000 1.064 349 Y CB 1.675 40.116 38.460 -0.032 0.000 1.207 349 Y HN -0.184 nan 8.280 nan 0.000 0.452 350 I N 2.920 123.601 120.570 0.184 0.000 2.752 350 I HA 0.271 4.382 4.170 -0.099 0.000 0.287 350 I C -0.007 176.128 176.117 0.031 0.000 1.188 350 I CA -0.093 61.245 61.300 0.064 0.000 1.427 350 I CB 0.520 38.510 38.000 -0.017 0.000 1.365 350 I HN 0.787 nan 8.210 nan 0.000 0.585 351 A N 8.339 131.083 122.820 -0.127 0.000 2.269 351 A HA 0.515 4.775 4.320 -0.099 0.000 0.302 351 A C -0.557 177.018 177.584 -0.016 0.000 1.266 351 A CA -0.424 51.392 52.037 -0.368 0.000 0.894 351 A CB 0.176 18.958 19.000 -0.363 0.000 1.147 351 A HN 0.727 nan 8.150 nan 0.000 0.537 352 K N 2.158 122.651 120.400 0.155 0.000 2.551 352 K HA 0.365 4.626 4.320 -0.099 0.000 0.269 352 K C -1.352 175.403 176.600 0.258 0.000 0.949 352 K CA -0.934 55.448 56.287 0.158 0.000 0.849 352 K CB 1.176 33.680 32.500 0.007 0.000 1.411 352 K HN 0.420 nan 8.250 nan 0.000 0.432 353 N N 2.104 120.895 118.700 0.152 0.000 2.411 353 N HA 0.245 4.926 4.740 -0.099 0.000 0.259 353 N C -0.933 174.656 175.510 0.132 0.000 1.103 353 N CA -0.077 53.040 53.050 0.111 0.000 0.954 353 N CB 0.846 39.362 38.487 0.049 0.000 1.085 353 N HN 0.541 nan 8.380 nan 0.000 0.485 354 I N 1.216 121.916 120.570 0.216 0.000 2.619 354 I HA 0.199 4.310 4.170 -0.099 0.000 0.292 354 I C -1.178 175.158 176.117 0.365 0.000 1.100 354 I CA -0.852 60.619 61.300 0.285 0.000 1.043 354 I CB 2.054 40.301 38.000 0.413 0.000 1.239 354 I HN 0.190 nan 8.210 nan 0.000 0.420 355 D N 7.924 128.480 120.400 0.260 0.000 2.365 355 D HA 0.094 4.674 4.640 -0.099 0.000 0.237 355 D C -0.771 175.685 176.300 0.260 0.000 1.190 355 D CA 0.205 54.361 54.000 0.261 0.000 0.867 355 D CB 0.665 41.531 40.800 0.111 0.000 1.050 355 D HN 0.378 nan 8.370 nan 0.000 0.491 356 W N 4.892 126.257 121.300 0.107 0.000 2.304 356 W HA 0.127 4.727 4.660 -0.100 0.000 0.313 356 W C -1.955 174.435 176.519 -0.215 0.000 1.323 356 W CA -1.723 55.529 57.345 -0.154 0.000 1.223 356 W CB 0.965 30.119 29.460 -0.510 0.000 1.237 356 W HN 0.203 nan 8.180 nan 0.000 0.535 357 P HA -0.014 nan 4.420 nan 0.000 0.266 357 P C -0.078 177.187 177.300 -0.058 0.000 1.195 357 P CA 0.576 63.445 63.100 -0.385 0.000 0.768 357 P CB 0.735 31.984 31.700 -0.752 0.000 0.838 358 R N 0.814 121.316 120.500 0.004 0.000 2.543 358 R HA 0.111 4.392 4.340 -0.099 0.000 0.323 358 R C 0.641 176.953 176.300 0.021 0.000 1.002 358 R CA -0.186 55.964 56.100 0.082 0.000 1.106 358 R CB 0.281 30.623 30.300 0.070 0.000 1.280 358 R HN 0.641 nan 8.270 nan 0.000 0.549 359 D N 0.539 120.924 120.400 -0.024 0.000 2.360 359 D HA -0.044 4.536 4.640 -0.099 0.000 0.242 359 D C 0.942 177.242 176.300 -0.001 0.000 1.184 359 D CA 0.087 54.073 54.000 -0.023 0.000 0.930 359 D CB 1.032 41.800 40.800 -0.053 0.000 1.161 359 D HN -0.066 nan 8.370 nan 0.000 0.447 360 S N 0.424 116.126 115.700 0.004 0.000 2.420 360 S HA -0.169 4.241 4.470 -0.099 0.000 0.237 360 S C 1.723 176.336 174.600 0.021 0.000 1.023 360 S CA 1.180 59.388 58.200 0.013 0.000 0.991 360 S CB -0.500 62.706 63.200 0.010 0.000 0.792 360 S HN 0.470 nan 8.310 nan 0.000 0.488 361 V N 1.621 121.543 119.914 0.013 0.000 2.484 361 V HA 0.233 4.294 4.120 -0.099 0.000 0.236 361 V C 2.910 179.031 176.094 0.046 0.000 1.062 361 V CA 1.180 63.495 62.300 0.025 0.000 1.081 361 V CB -1.569 30.262 31.823 0.013 0.000 0.751 361 V HN 0.548 nan 8.190 nan 0.000 0.484 362 G N 1.398 110.191 108.800 -0.011 0.000 2.462 362 G HA2 -0.304 3.596 3.960 -0.099 0.000 0.220 362 G HA3 -0.304 3.596 3.960 -0.099 0.000 0.220 362 G C 1.487 176.425 174.900 0.063 0.000 1.121 362 G CA 1.308 46.370 45.100 -0.063 0.000 0.758 362 G HN 0.679 nan 8.290 nan 0.000 0.559 363 K N 0.243 120.733 120.400 0.151 0.000 2.211 363 K HA -0.056 4.204 4.320 -0.099 0.000 0.204 363 K C 1.698 178.656 176.600 0.597 0.000 1.047 363 K CA 1.381 57.933 56.287 0.443 0.000 0.935 363 K CB -0.238 32.406 32.500 0.239 0.000 0.728 363 K HN 0.136 nan 8.250 nan 0.000 0.452 364 N N 1.082 119.988 118.700 0.343 0.000 2.463 364 N HA 0.009 4.690 4.740 -0.099 0.000 0.181 364 N C -0.075 175.540 175.510 0.176 0.000 1.078 364 N CA 0.305 53.513 53.050 0.263 0.000 0.902 364 N CB 0.177 38.730 38.487 0.109 0.000 0.970 364 N HN 0.006 nan 8.380 nan 0.000 0.451 365 V N 2.597 122.698 119.914 0.312 0.000 2.614 365 V HA 0.096 4.157 4.120 -0.099 0.000 0.291 365 V C 0.458 176.776 176.094 0.373 0.000 1.049 365 V CA -0.160 62.305 62.300 0.275 0.000 1.038 365 V CB 1.089 33.125 31.823 0.355 0.000 0.980 365 V HN 0.270 nan 8.190 nan 0.000 0.481 366 Q N 3.866 123.708 119.800 0.070 0.000 2.495 366 Q HA 0.643 4.923 4.340 -0.099 0.000 0.287 366 Q C -1.005 174.987 176.000 -0.013 0.000 1.078 366 Q CA -1.081 54.718 55.803 -0.006 0.000 0.793 366 Q CB 2.214 30.691 28.738 -0.435 0.000 1.459 366 Q HN 0.541 nan 8.270 nan 0.000 0.422 367 I N 2.574 123.082 120.570 -0.104 0.000 2.668 367 I HA -0.120 3.991 4.170 -0.099 0.000 0.285 367 I C 1.114 177.065 176.117 -0.277 0.000 1.168 367 I CA 0.040 61.206 61.300 -0.223 0.000 1.424 367 I CB 0.625 38.356 38.000 -0.448 0.000 1.377 367 I HN 0.626 nan 8.210 nan 0.000 0.560 368 Q N 4.968 124.622 119.800 -0.243 0.000 2.204 368 Q HA 0.070 4.351 4.340 -0.099 0.000 0.198 368 Q C 1.584 177.414 176.000 -0.283 0.000 0.946 368 Q CA 0.840 56.508 55.803 -0.227 0.000 0.859 368 Q CB 0.253 28.899 28.738 -0.153 0.000 0.946 368 Q HN 0.901 nan 8.270 nan 0.000 0.474 369 G N 0.550 109.125 108.800 -0.375 0.000 3.899 369 G HA2 0.184 4.085 3.960 -0.099 0.000 0.293 369 G HA3 0.184 4.085 3.960 -0.099 0.000 0.293 369 G C -0.276 174.271 174.900 -0.588 0.000 1.054 369 G CA -0.102 44.772 45.100 -0.377 0.000 0.846 369 G HN 0.082 nan 8.290 nan 0.000 0.525 370 S N -0.051 115.133 115.700 -0.859 0.000 2.549 370 S HA 0.772 5.182 4.470 -0.099 0.000 0.297 370 S C 0.485 174.803 174.600 -0.469 0.000 1.115 370 S CA -0.199 57.460 58.200 -0.902 0.000 1.059 370 S CB 1.356 63.804 63.200 -1.253 0.000 1.046 370 S HN 0.574 nan 8.310 nan 0.000 0.506 371 A N 2.593 125.190 122.820 -0.371 0.000 2.286 371 A HA 0.795 5.055 4.320 -0.099 0.000 0.286 371 A C 0.142 177.638 177.584 -0.146 0.000 1.097 371 A CA -0.242 51.574 52.037 -0.367 0.000 0.821 371 A CB 0.360 18.923 19.000 -0.728 0.000 1.076 371 A HN 1.457 nan 8.150 nan 0.000 0.490 372 S N -0.820 114.844 115.700 -0.059 0.000 2.588 372 S HA 0.691 5.101 4.470 -0.099 0.000 0.269 372 S C -1.535 173.008 174.600 -0.096 0.000 1.157 372 S CA -0.655 57.576 58.200 0.052 0.000 0.824 372 S CB 0.638 63.808 63.200 -0.051 0.000 1.126 372 S HN 0.576 nan 8.310 nan 0.000 0.464 373 Y N 0.366 120.703 120.300 0.062 0.000 2.429 373 Y HA 0.828 5.318 4.550 -0.099 0.000 0.342 373 Y C -0.069 175.812 175.900 -0.032 0.000 1.004 373 Y CA -0.926 57.156 58.100 -0.030 0.000 1.075 373 Y CB 1.875 40.254 38.460 -0.135 0.000 1.214 373 Y HN 0.902 nan 8.280 nan 0.000 0.455 374 I N 2.439 123.087 120.570 0.130 0.000 2.775 374 I HA 0.345 4.456 4.170 -0.099 0.000 0.295 374 I C -1.828 174.334 176.117 0.075 0.000 1.287 374 I CA -0.594 60.744 61.300 0.063 0.000 1.029 374 I CB 1.890 39.894 38.000 0.006 0.000 1.282 374 I HN 0.684 nan 8.210 nan 0.000 0.426 375 D N 5.345 125.791 120.400 0.077 0.000 4.465 375 D HA -0.080 4.501 4.640 -0.099 0.000 0.244 375 D C -2.543 173.832 176.300 0.126 0.000 1.062 375 D CA 0.451 54.521 54.000 0.117 0.000 1.227 375 D CB -0.442 40.441 40.800 0.139 0.000 0.829 375 D HN 0.353 nan 8.370 nan 0.000 0.402 376 P HA 0.417 nan 4.420 nan 0.000 0.281 376 P C -0.541 176.878 177.300 0.198 0.000 1.249 376 P CA -0.582 62.603 63.100 0.141 0.000 0.810 376 P CB 1.478 33.242 31.700 0.108 0.000 1.008 377 V N 3.072 123.143 119.914 0.262 0.000 2.686 377 V HA 0.371 4.432 4.120 -0.099 0.000 0.306 377 V C 0.167 176.519 176.094 0.430 0.000 1.065 377 V CA -0.620 61.867 62.300 0.313 0.000 0.894 377 V CB 1.906 33.887 31.823 0.264 0.000 1.004 377 V HN 0.418 nan 8.190 nan 0.000 0.424 378 L N 5.051 126.511 121.223 0.395 0.000 2.334 378 L HA 0.787 5.068 4.340 -0.099 0.000 0.273 378 L C -1.004 176.151 176.870 0.474 0.000 1.013 378 L CA -0.767 54.340 54.840 0.445 0.000 0.816 378 L CB 1.975 44.274 42.059 0.400 0.000 1.278 378 L HN 0.506 nan 8.230 nan 0.000 0.431 379 L N 2.215 123.771 121.223 0.555 0.000 2.545 379 L HA 0.457 4.737 4.340 -0.099 0.000 0.258 379 L C -1.279 175.948 176.870 0.596 0.000 0.942 379 L CA -0.125 55.050 54.840 0.559 0.000 0.855 379 L CB 2.237 44.682 42.059 0.644 0.000 1.374 379 L HN 0.650 nan 8.230 nan 0.000 0.411 380 E N 2.329 122.808 120.200 0.464 0.000 2.238 380 E HA 0.289 4.580 4.350 -0.099 0.000 0.267 380 E C -1.607 175.237 176.600 0.407 0.000 0.887 380 E CA -0.643 55.991 56.400 0.390 0.000 0.769 380 E CB 1.635 31.488 29.700 0.255 0.000 1.187 380 E HN 0.649 nan 8.360 nan 0.000 0.416 381 D N 4.011 124.660 120.400 0.416 0.000 2.428 381 D HA 0.121 4.701 4.640 -0.099 0.000 0.221 381 D C 0.305 176.739 176.300 0.224 0.000 1.123 381 D CA -0.141 54.087 54.000 0.380 0.000 0.869 381 D CB 0.972 42.065 40.800 0.488 0.000 1.032 381 D HN 0.422 nan 8.370 nan 0.000 0.506 382 K N 2.866 123.378 120.400 0.187 0.000 2.360 382 K HA -0.068 4.193 4.320 -0.099 0.000 0.201 382 K C 1.620 178.274 176.600 0.090 0.000 1.046 382 K CA 0.255 56.617 56.287 0.124 0.000 0.945 382 K CB 0.473 33.039 32.500 0.110 0.000 0.750 382 K HN 0.428 nan 8.250 nan 0.000 0.464 383 L N 0.999 122.285 121.223 0.104 0.000 2.102 383 L HA -0.076 4.205 4.340 -0.099 0.000 0.202 383 L C 2.003 178.862 176.870 -0.018 0.000 1.076 383 L CA 2.154 57.021 54.840 0.045 0.000 0.761 383 L CB -0.762 41.335 42.059 0.063 0.000 0.921 383 L HN 0.251 nan 8.230 nan 0.000 0.444 384 T N -4.346 110.195 114.554 -0.023 0.000 3.044 384 T HA 0.069 4.360 4.350 -0.099 0.000 0.250 384 T C 0.934 175.616 174.700 -0.030 0.000 1.081 384 T CA -0.088 61.974 62.100 -0.064 0.000 1.040 384 T CB 0.278 69.084 68.868 -0.104 0.000 0.962 384 T HN 0.211 nan 8.240 nan 0.000 0.506 385 K N 0.043 120.450 120.400 0.012 0.000 3.407 385 K HA -0.164 4.096 4.320 -0.099 0.000 0.312 385 K C 0.285 176.868 176.600 -0.030 0.000 1.302 385 K CA 0.668 56.961 56.287 0.009 0.000 0.931 385 K CB -1.872 30.624 32.500 -0.007 0.000 1.257 385 K HN 0.677 nan 8.250 nan 0.000 0.454 386 R N 1.491 121.952 120.500 -0.065 0.000 2.490 386 R HA 0.417 4.697 4.340 -0.099 0.000 0.280 386 R C 0.705 176.833 176.300 -0.285 0.000 1.077 386 R CA -0.248 55.713 56.100 -0.232 0.000 1.065 386 R CB 0.453 30.535 30.300 -0.363 0.000 1.003 386 R HN 0.321 nan 8.270 nan 0.000 0.470 387 I N 0.319 120.671 120.570 -0.364 0.000 2.693 387 I HA 0.584 4.694 4.170 -0.099 0.000 0.303 387 I C -1.351 174.579 176.117 -0.311 0.000 1.025 387 I CA -1.047 60.161 61.300 -0.153 0.000 1.086 387 I CB 1.694 39.717 38.000 0.037 0.000 1.268 387 I HN 0.397 nan 8.210 nan 0.000 0.440 388 F N 4.520 124.645 119.950 0.291 0.000 2.576 388 F HA 0.675 5.143 4.527 -0.099 0.000 0.313 388 F C -0.788 175.067 175.800 0.092 0.000 1.078 388 F CA -0.884 57.216 58.000 0.166 0.000 0.921 388 F CB 2.062 41.066 39.000 0.006 0.000 1.232 388 F HN 0.367 nan 8.300 nan 0.000 0.459 389 L N 3.383 124.630 121.223 0.039 0.000 2.349 389 L HA 0.713 4.993 4.340 -0.099 0.000 0.278 389 L C -1.805 174.864 176.870 -0.335 0.000 0.996 389 L CA -0.584 54.200 54.840 -0.093 0.000 0.825 389 L CB 0.677 42.514 42.059 -0.372 0.000 1.243 389 L HN 0.430 nan 8.230 nan 0.000 0.412 390 F N 3.981 123.962 119.950 0.052 0.000 2.538 390 F HA 0.943 5.410 4.527 -0.100 0.000 0.325 390 F C 0.364 176.160 175.800 -0.007 0.000 1.066 390 F CA -0.240 57.759 58.000 -0.002 0.000 0.946 390 F CB 2.108 41.094 39.000 -0.023 0.000 1.199 390 F HN 0.701 nan 8.300 nan 0.000 0.473 391 A N 0.714 123.645 122.820 0.185 0.000 2.597 391 A HA 0.540 4.801 4.320 -0.099 0.000 0.292 391 A C -1.939 175.741 177.584 0.160 0.000 1.057 391 A CA -1.019 51.104 52.037 0.143 0.000 0.674 391 A CB 1.089 20.140 19.000 0.085 0.000 1.278 391 A HN 0.575 nan 8.150 nan 0.000 0.416 392 D N 0.913 121.386 120.400 0.122 0.000 2.345 392 D HA 0.424 5.005 4.640 -0.099 0.000 0.247 392 D C -0.578 175.772 176.300 0.084 0.000 1.108 392 D CA 0.154 54.195 54.000 0.069 0.000 0.894 392 D CB 1.745 42.543 40.800 -0.003 0.000 1.203 392 D HN 0.403 nan 8.370 nan 0.000 0.430 393 L N 3.096 124.327 121.223 0.012 0.000 2.316 393 L HA 0.351 4.632 4.340 -0.099 0.000 0.280 393 L C -1.240 175.516 176.870 -0.190 0.000 1.006 393 L CA -0.541 54.187 54.840 -0.187 0.000 0.836 393 L CB 1.050 42.983 42.059 -0.209 0.000 1.221 393 L HN 0.185 nan 8.230 nan 0.000 0.418 394 M N 7.064 126.526 119.600 -0.230 0.000 2.101 394 M HA 0.482 4.902 4.480 -0.099 0.000 0.340 394 M C -2.279 173.871 176.300 -0.249 0.000 1.057 394 M CA -2.147 53.044 55.300 -0.182 0.000 0.984 394 M CB 1.075 33.581 32.600 -0.155 0.000 1.560 394 M HN 0.348 nan 8.290 nan 0.000 0.435 395 P HA 0.113 nan 4.420 nan 0.000 0.271 395 P C -0.463 176.749 177.300 -0.147 0.000 1.244 395 P CA -0.258 62.790 63.100 -0.088 0.000 0.793 395 P CB 0.469 32.243 31.700 0.123 0.000 0.984 396 A N 1.618 124.360 122.820 -0.131 0.000 2.580 396 A HA 0.327 4.588 4.320 -0.099 0.000 0.244 396 A C 1.547 179.027 177.584 -0.173 0.000 1.045 396 A CA 0.906 52.838 52.037 -0.174 0.000 0.761 396 A CB -1.776 17.156 19.000 -0.112 0.000 0.962 396 A HN 0.893 nan 8.150 nan 0.000 0.512 397 G N 1.364 110.025 108.800 -0.232 0.000 2.168 397 G HA2 -0.205 3.695 3.960 -0.099 0.000 0.263 397 G HA3 -0.205 3.695 3.960 -0.099 0.000 0.263 397 G C 0.089 174.887 174.900 -0.170 0.000 0.977 397 G CA 0.482 45.457 45.100 -0.208 0.000 0.659 397 G HN 0.746 nan 8.290 nan 0.000 0.533 398 I N 0.725 121.197 120.570 -0.163 0.000 2.498 398 I HA 0.743 4.854 4.170 -0.099 0.000 0.301 398 I C 0.897 176.926 176.117 -0.147 0.000 0.984 398 I CA -0.132 61.084 61.300 -0.140 0.000 1.204 398 I CB 1.100 39.031 38.000 -0.115 0.000 1.362 398 I HN 0.223 nan 8.210 nan 0.000 0.471 399 G N 1.985 110.702 108.800 -0.138 0.000 2.725 399 G HA2 0.419 4.319 3.960 -0.099 0.000 0.288 399 G HA3 0.419 4.319 3.960 -0.099 0.000 0.288 399 G C 0.468 175.272 174.900 -0.161 0.000 1.399 399 G CA 0.149 45.159 45.100 -0.150 0.000 0.859 399 G HN 0.563 nan 8.290 nan 0.000 0.479 400 S N -0.606 114.952 115.700 -0.237 0.000 2.399 400 S HA -0.190 4.221 4.470 -0.099 0.000 0.231 400 S C 2.455 176.945 174.600 -0.183 0.000 1.022 400 S CA 2.151 60.130 58.200 -0.369 0.000 0.983 400 S CB -0.596 62.084 63.200 -0.867 0.000 0.803 400 S HN 1.291 nan 8.310 nan 0.000 0.480 401 S N 3.424 119.043 115.700 -0.135 0.000 2.419 401 S HA -0.113 4.297 4.470 -0.099 0.000 0.233 401 S C 1.399 175.991 174.600 -0.013 0.000 1.016 401 S CA 1.013 59.189 58.200 -0.040 0.000 0.974 401 S CB -0.763 62.404 63.200 -0.053 0.000 0.786 401 S HN 0.835 nan 8.310 nan 0.000 0.492 402 N N 1.417 120.089 118.700 -0.046 0.000 2.282 402 N HA 0.367 5.047 4.740 -0.099 0.000 0.240 402 N C -0.148 175.329 175.510 -0.054 0.000 1.182 402 N CA 0.074 53.097 53.050 -0.045 0.000 0.874 402 N CB 0.167 38.614 38.487 -0.067 0.000 1.126 402 N HN 0.444 nan 8.380 nan 0.000 0.516 403 A N 0.467 123.271 122.820 -0.028 0.000 2.425 403 A HA 0.474 4.735 4.320 -0.099 0.000 0.249 403 A C 0.340 177.897 177.584 -0.045 0.000 1.084 403 A CA -0.230 51.780 52.037 -0.044 0.000 0.781 403 A CB 0.284 19.291 19.000 0.013 0.000 1.019 403 A HN 0.294 nan 8.150 nan 0.000 0.490 404 S N 0.419 116.036 115.700 -0.139 0.000 2.580 404 S HA 0.331 4.742 4.470 -0.099 0.000 0.274 404 S C 0.218 174.843 174.600 0.042 0.000 1.329 404 S CA -0.574 57.552 58.200 -0.123 0.000 1.036 404 S CB 0.987 63.924 63.200 -0.438 0.000 0.919 404 S HN 0.549 nan 8.310 nan 0.000 0.515 405 V N 3.035 123.012 119.914 0.105 0.000 2.508 405 V HA 0.641 4.702 4.120 -0.099 0.000 0.281 405 V C 0.904 177.130 176.094 0.219 0.000 1.041 405 V CA 0.626 62.995 62.300 0.114 0.000 1.016 405 V CB -0.036 31.826 31.823 0.065 0.000 0.984 405 V HN 1.135 nan 8.190 nan 0.000 0.478 406 G N 3.378 112.271 108.800 0.156 0.000 2.352 406 G HA2 0.246 4.146 3.960 -0.099 0.000 0.302 406 G HA3 0.246 4.146 3.960 -0.099 0.000 0.302 406 G C 0.248 175.170 174.900 0.036 0.000 1.370 406 G CA 0.034 45.173 45.100 0.066 0.000 0.918 406 G HN 0.884 nan 8.290 nan 0.000 0.610 407 S N -1.429 114.246 115.700 -0.041 0.000 2.439 407 S HA 0.406 4.817 4.470 -0.099 0.000 0.224 407 S C 2.069 176.771 174.600 0.171 0.000 1.029 407 S CA 1.556 59.789 58.200 0.056 0.000 0.946 407 S CB 0.290 63.547 63.200 0.096 0.000 0.797 407 S HN 2.890 nan 8.310 nan 0.000 0.504 408 G N 0.170 108.967 108.800 -0.004 0.000 2.175 408 G HA2 -0.190 3.710 3.960 -0.099 0.000 0.244 408 G HA3 -0.190 3.710 3.960 -0.099 0.000 0.244 408 G C -0.135 174.696 174.900 -0.115 0.000 0.982 408 G CA 0.217 45.359 45.100 0.070 0.000 0.641 408 G HN 0.488 nan 8.290 nan 0.000 0.527 409 F N 0.084 120.013 119.950 -0.035 0.000 2.579 409 F HA 0.793 5.260 4.527 -0.099 0.000 0.324 409 F C 0.354 176.131 175.800 -0.038 0.000 1.058 409 F CA -0.910 57.096 58.000 0.010 0.000 0.944 409 F CB 2.108 41.118 39.000 0.017 0.000 1.245 409 F HN 0.042 nan 8.300 nan 0.000 0.477 410 K N 1.295 121.812 120.400 0.195 0.000 2.427 410 K HA 0.352 4.613 4.320 -0.099 0.000 0.252 410 K C -1.489 175.194 176.600 0.138 0.000 0.931 410 K CA -0.581 55.779 56.287 0.121 0.000 0.793 410 K CB 2.003 34.569 32.500 0.110 0.000 1.211 410 K HN 0.765 nan 8.250 nan 0.000 0.426 411 E N 3.162 123.409 120.200 0.079 0.000 2.146 411 E HA 0.318 4.609 4.350 -0.099 0.000 0.282 411 E C -1.471 175.171 176.600 0.070 0.000 0.989 411 E CA -0.764 55.660 56.400 0.040 0.000 0.799 411 E CB 1.356 31.061 29.700 0.007 0.000 1.088 411 E HN 0.295 nan 8.360 nan 0.000 0.397 412 V N 4.944 124.920 119.914 0.104 0.000 2.638 412 V HA 0.208 4.269 4.120 -0.099 0.000 0.306 412 V C -0.187 175.982 176.094 0.124 0.000 1.052 412 V CA -0.918 61.470 62.300 0.146 0.000 0.885 412 V CB 1.571 33.538 31.823 0.239 0.000 0.999 412 V HN 1.016 nan 8.190 nan 0.000 0.424 413 N N 3.203 121.947 118.700 0.073 0.000 2.735 413 N HA -0.208 4.472 4.740 -0.099 0.000 0.248 413 N C 1.046 176.569 175.510 0.021 0.000 1.083 413 N CA 0.807 53.888 53.050 0.051 0.000 0.703 413 N CB -0.861 37.669 38.487 0.071 0.000 1.005 413 N HN 1.568 nan 8.380 nan 0.000 0.550 414 G N -0.706 108.096 108.800 0.002 0.000 2.166 414 G HA2 -0.397 3.504 3.960 -0.099 0.000 0.260 414 G HA3 -0.397 3.504 3.960 -0.099 0.000 0.260 414 G C -0.013 174.844 174.900 -0.071 0.000 0.986 414 G CA 0.999 46.086 45.100 -0.023 0.000 0.683 414 G HN 0.621 nan 8.290 nan 0.000 0.527 415 K N 0.141 120.455 120.400 -0.143 0.000 2.371 415 K HA 0.527 4.787 4.320 -0.099 0.000 0.251 415 K C -0.099 176.209 176.600 -0.487 0.000 0.934 415 K CA -0.942 55.152 56.287 -0.322 0.000 0.798 415 K CB 1.007 33.249 32.500 -0.431 0.000 1.204 415 K HN 0.098 nan 8.250 nan 0.000 0.427 416 K N 2.875 123.051 120.400 -0.374 0.000 2.234 416 K HA 0.234 4.495 4.320 -0.099 0.000 0.282 416 K C -1.160 175.335 176.600 -0.175 0.000 1.039 416 K CA -0.339 55.836 56.287 -0.187 0.000 0.928 416 K CB 0.649 33.096 32.500 -0.088 0.000 1.039 416 K HN 0.348 nan 8.250 nan 0.000 0.470 417 Y N 0.913 121.398 120.300 0.308 0.000 2.536 417 Y HA 0.302 4.793 4.550 -0.099 0.000 0.347 417 Y C 0.144 176.128 175.900 0.140 0.000 1.000 417 Y CA -1.070 57.187 58.100 0.260 0.000 1.051 417 Y CB 1.096 39.619 38.460 0.106 0.000 1.259 417 Y HN 0.331 nan 8.280 nan 0.000 0.468 418 L N 3.468 124.728 121.223 0.062 0.000 2.455 418 L HA 0.138 4.418 4.340 -0.099 0.000 0.272 418 L C -0.078 176.720 176.870 -0.120 0.000 1.174 418 L CA 0.046 54.633 54.840 -0.422 0.000 0.869 418 L CB 0.276 42.123 42.059 -0.354 0.000 1.130 418 L HN 0.558 nan 8.230 nan 0.000 0.474 419 K N 5.325 125.652 120.400 -0.122 0.000 2.185 419 K HA 0.609 4.869 4.320 -0.099 0.000 0.271 419 K C -0.879 175.833 176.600 0.187 0.000 1.013 419 K CA -0.498 55.834 56.287 0.074 0.000 0.943 419 K CB 1.286 33.812 32.500 0.043 0.000 0.998 419 K HN 0.442 nan 8.250 nan 0.000 0.468 420 L N 1.546 122.970 121.223 0.335 0.000 2.409 420 L HA 0.490 4.770 4.340 -0.099 0.000 0.262 420 L C -0.554 176.601 176.870 0.475 0.000 0.992 420 L CA -0.977 54.089 54.840 0.375 0.000 0.817 420 L CB 2.418 44.599 42.059 0.203 0.000 1.350 420 L HN 0.583 nan 8.230 nan 0.000 0.411 421 R N 2.156 122.838 120.500 0.303 0.000 2.437 421 R HA 0.247 4.528 4.340 -0.099 0.000 0.310 421 R C -1.155 175.199 176.300 0.091 0.000 0.955 421 R CA -0.551 55.568 56.100 0.031 0.000 0.851 421 R CB 1.529 31.501 30.300 -0.546 0.000 1.161 421 R HN 0.742 nan 8.270 nan 0.000 0.446 422 W N 7.776 128.989 121.300 -0.144 0.000 2.304 422 W HA 0.009 4.610 4.660 -0.099 0.000 0.313 422 W C 0.897 177.243 176.519 -0.288 0.000 1.323 422 W CA -0.230 56.821 57.345 -0.489 0.000 1.223 422 W CB 0.611 29.767 29.460 -0.508 0.000 1.237 422 W HN 0.901 nan 8.180 nan 0.000 0.535 423 H N 3.787 122.243 119.070 -1.024 0.000 2.496 423 H HA -0.190 4.307 4.556 -0.099 0.000 0.296 423 H C 0.561 175.509 175.328 -0.634 0.000 1.107 423 H CA 1.571 57.155 56.048 -0.774 0.000 1.263 423 H CB -0.150 29.145 29.762 -0.778 0.000 1.369 423 H HN 0.483 nan 8.280 nan 0.000 0.541 424 K N 0.418 120.063 120.400 -1.258 0.000 2.374 424 K HA 0.063 4.323 4.320 -0.099 0.000 0.196 424 K C -0.280 176.217 176.600 -0.173 0.000 1.023 424 K CA -0.178 55.733 56.287 -0.627 0.000 1.103 424 K CB 0.617 32.812 32.500 -0.508 0.000 0.848 424 K HN 0.236 nan 8.250 nan 0.000 0.528 425 D N 0.864 121.216 120.400 -0.079 0.000 2.423 425 D HA 0.221 4.802 4.640 -0.099 0.000 0.255 425 D C -0.027 176.245 176.300 -0.046 0.000 1.174 425 D CA -0.342 53.672 54.000 0.023 0.000 1.008 425 D CB 0.715 41.586 40.800 0.118 0.000 1.101 425 D HN 0.061 nan 8.370 nan 0.000 0.516 426 A N -0.117 122.692 122.820 -0.019 0.000 2.507 426 A HA 0.347 4.608 4.320 -0.099 0.000 0.235 426 A C 1.627 179.179 177.584 -0.053 0.000 1.070 426 A CA 0.499 52.520 52.037 -0.026 0.000 0.768 426 A CB -0.261 18.741 19.000 0.002 0.000 1.011 426 A HN 0.584 nan 8.150 nan 0.000 0.502 427 G N 0.992 109.770 108.800 -0.037 0.000 2.507 427 G HA2 -0.243 3.657 3.960 -0.099 0.000 0.221 427 G HA3 -0.243 3.657 3.960 -0.099 0.000 0.221 427 G C 1.052 175.945 174.900 -0.011 0.000 1.119 427 G CA 1.473 46.553 45.100 -0.033 0.000 0.751 427 G HN 0.990 nan 8.290 nan 0.000 0.574 428 R N -0.682 119.842 120.500 0.039 0.000 2.613 428 R HA 0.643 4.924 4.340 -0.099 0.000 0.361 428 R C 0.307 176.692 176.300 0.142 0.000 1.072 428 R CA -0.137 56.078 56.100 0.191 0.000 1.089 428 R CB -0.490 29.961 30.300 0.252 0.000 1.343 428 R HN 0.108 nan 8.270 nan 0.000 0.571 429 A N 1.341 124.117 122.820 -0.074 0.000 2.478 429 A HA 0.431 4.691 4.320 -0.099 0.000 0.327 429 A C -1.203 176.306 177.584 -0.126 0.000 1.431 429 A CA -0.514 51.513 52.037 -0.016 0.000 1.014 429 A CB -0.434 18.573 19.000 0.012 0.000 1.143 429 A HN 0.383 nan 8.150 nan 0.000 0.532 430 Y N 1.738 122.137 120.300 0.166 0.000 2.880 430 Y HA 0.207 4.697 4.550 -0.099 0.000 0.329 430 Y C 0.274 176.269 175.900 0.159 0.000 1.156 430 Y CA -0.558 57.661 58.100 0.198 0.000 1.348 430 Y CB 0.726 39.284 38.460 0.163 0.000 1.280 430 Y HN 0.649 nan 8.280 nan 0.000 0.516 431 D N 1.608 122.152 120.400 0.240 0.000 2.388 431 D HA 0.053 4.634 4.640 -0.099 0.000 0.221 431 D C -0.587 175.576 176.300 -0.229 0.000 1.133 431 D CA 0.508 54.508 54.000 -0.001 0.000 0.831 431 D CB 0.171 40.893 40.800 -0.131 0.000 0.962 431 D HN 0.343 nan 8.370 nan 0.000 0.502 432 Y N -0.243 120.155 120.300 0.162 0.000 2.581 432 Y HA 0.427 4.917 4.550 -0.099 0.000 0.345 432 Y C 0.541 176.493 175.900 0.086 0.000 1.036 432 Y CA -1.120 57.050 58.100 0.118 0.000 1.042 432 Y CB 1.840 40.373 38.460 0.122 0.000 1.289 432 Y HN -0.298 nan 8.280 nan 0.000 0.471 433 T N -1.175 113.492 114.554 0.188 0.000 2.903 433 T HA 0.690 4.980 4.350 -0.099 0.000 0.299 433 T C -1.058 173.650 174.700 0.014 0.000 1.093 433 T CA -0.755 61.400 62.100 0.091 0.000 1.002 433 T CB 1.398 70.299 68.868 0.055 0.000 1.127 433 T HN 0.471 nan 8.240 nan 0.000 0.488 434 I N 2.698 123.276 120.570 0.013 0.000 2.297 434 I HA 0.366 4.477 4.170 -0.099 0.000 0.291 434 I C 0.986 177.072 176.117 -0.052 0.000 1.033 434 I CA -0.726 60.579 61.300 0.009 0.000 1.253 434 I CB 0.636 38.688 38.000 0.087 0.000 1.396 434 I HN 0.463 nan 8.210 nan 0.000 0.476 435 R N 3.682 124.066 120.500 -0.193 0.000 2.748 435 R HA 0.431 4.711 4.340 -0.099 0.000 0.220 435 R C -0.320 175.951 176.300 -0.050 0.000 1.404 435 R CA -1.118 54.727 56.100 -0.425 0.000 1.039 435 R CB 0.380 30.167 30.300 -0.855 0.000 1.904 435 R HN 0.356 nan 8.270 nan 0.000 0.529 436 E N 2.039 122.235 120.200 -0.006 0.000 2.568 436 E HA -0.096 4.195 4.350 -0.099 0.000 0.262 436 E C -0.310 176.317 176.600 0.045 0.000 0.961 436 E CA 0.726 57.168 56.400 0.070 0.000 0.945 436 E CB 0.153 29.896 29.700 0.071 0.000 0.924 436 E HN 0.290 nan 8.360 nan 0.000 0.467 437 K N 1.780 122.203 120.400 0.038 0.000 3.209 437 K HA -0.230 4.031 4.320 -0.099 0.000 0.289 437 K C 0.815 177.402 176.600 -0.023 0.000 1.191 437 K CA 1.039 57.328 56.287 0.003 0.000 0.851 437 K CB -2.237 30.263 32.500 -0.000 0.000 1.242 437 K HN 1.080 nan 8.250 nan 0.000 0.480 438 G N -0.856 107.935 108.800 -0.014 0.000 2.166 438 G HA2 -0.352 3.548 3.960 -0.099 0.000 0.260 438 G HA3 -0.352 3.548 3.960 -0.099 0.000 0.260 438 G C 0.242 175.135 174.900 -0.012 0.000 0.986 438 G CA 0.303 45.381 45.100 -0.037 0.000 0.683 438 G HN 0.287 nan 8.290 nan 0.000 0.527 439 V N 1.419 121.346 119.914 0.022 0.000 2.521 439 V HA 0.329 4.389 4.120 -0.099 0.000 0.286 439 V C 1.198 177.346 176.094 0.090 0.000 1.034 439 V CA -0.044 62.286 62.300 0.050 0.000 1.045 439 V CB 1.170 33.060 31.823 0.111 0.000 0.974 439 V HN 0.319 nan 8.190 nan 0.000 0.480 440 I N 5.514 126.092 120.570 0.013 0.000 2.395 440 I HA 0.312 4.423 4.170 -0.099 0.000 0.289 440 I C -0.555 175.597 176.117 0.059 0.000 1.023 440 I CA -0.128 61.157 61.300 -0.024 0.000 1.350 440 I CB 0.646 38.469 38.000 -0.295 0.000 1.409 440 I HN 0.480 nan 8.210 nan 0.000 0.507 441 Y N 4.512 124.792 120.300 -0.034 0.000 2.446 441 Y HA 0.280 4.770 4.550 -0.099 0.000 0.338 441 Y C 0.454 176.400 175.900 0.077 0.000 1.055 441 Y CA -0.826 57.276 58.100 0.003 0.000 1.101 441 Y CB 1.328 39.736 38.460 -0.086 0.000 1.221 441 Y HN 0.451 nan 8.280 nan 0.000 0.460 442 N N 2.857 121.632 118.700 0.125 0.000 2.469 442 N HA 0.024 4.704 4.740 -0.099 0.000 0.239 442 N C -0.014 175.445 175.510 -0.085 0.000 1.053 442 N CA 0.051 53.014 53.050 -0.145 0.000 0.937 442 N CB 0.602 39.037 38.487 -0.086 0.000 1.163 442 N HN 0.717 nan 8.380 nan 0.000 0.509 443 D N 3.028 123.347 120.400 -0.134 0.000 2.149 443 D HA -0.163 4.418 4.640 -0.099 0.000 0.198 443 D C 1.591 177.865 176.300 -0.043 0.000 0.990 443 D CA 1.146 55.121 54.000 -0.041 0.000 0.839 443 D CB -0.035 40.746 40.800 -0.031 0.000 0.948 443 D HN 0.687 nan 8.370 nan 0.000 0.460 444 A N 0.735 123.494 122.820 -0.101 0.000 1.865 444 A HA -0.194 4.067 4.320 -0.099 0.000 0.217 444 A C 2.384 179.949 177.584 -0.031 0.000 1.191 444 A CA 2.958 54.956 52.037 -0.064 0.000 0.623 444 A CB -0.974 17.973 19.000 -0.089 0.000 0.826 444 A HN 0.406 nan 8.150 nan 0.000 0.444 445 T N -4.214 110.320 114.554 -0.034 0.000 3.067 445 T HA 0.050 4.341 4.350 -0.099 0.000 0.257 445 T C 0.788 175.507 174.700 0.030 0.000 1.105 445 T CA 0.810 62.907 62.100 -0.006 0.000 1.104 445 T CB -0.436 68.422 68.868 -0.016 0.000 0.925 445 T HN 0.633 nan 8.240 nan 0.000 0.498 446 N N 1.055 119.792 118.700 0.063 0.000 2.747 446 N HA -0.153 4.528 4.740 -0.099 0.000 0.249 446 N C -1.175 174.478 175.510 0.239 0.000 1.107 446 N CA 0.341 53.484 53.050 0.155 0.000 0.707 446 N CB -0.493 38.051 38.487 0.096 0.000 1.054 446 N HN 0.535 nan 8.380 nan 0.000 0.555 447 Q N -0.185 119.676 119.800 0.103 0.000 2.348 447 Q HA 0.565 4.845 4.340 -0.099 0.000 0.271 447 Q C -2.485 173.238 176.000 -0.461 0.000 1.067 447 Q CA -1.565 54.184 55.803 -0.090 0.000 0.839 447 Q CB 1.629 30.326 28.738 -0.068 0.000 1.354 447 Q HN 0.149 nan 8.270 nan 0.000 0.447 448 P HA 0.105 nan 4.420 nan 0.000 0.272 448 P C -0.154 176.948 177.300 -0.331 0.000 1.223 448 P CA 0.022 62.576 63.100 -0.910 0.000 0.784 448 P CB 0.699 31.981 31.700 -0.698 0.000 0.923 449 T N -0.034 114.417 114.554 -0.171 0.000 2.888 449 T HA 0.178 4.469 4.350 -0.099 0.000 0.283 449 T C 0.774 175.484 174.700 0.016 0.000 1.013 449 T CA -0.463 61.661 62.100 0.040 0.000 0.938 449 T CB 0.321 69.330 68.868 0.235 0.000 1.298 449 T HN 0.325 nan 8.240 nan 0.000 0.580 450 E N -0.280 119.952 120.200 0.053 0.000 2.437 450 E HA 0.182 4.472 4.350 -0.099 0.000 0.189 450 E C -0.767 175.655 176.600 -0.297 0.000 1.054 450 E CA -0.037 56.266 56.400 -0.162 0.000 0.874 450 E CB 0.112 29.660 29.700 -0.255 0.000 1.011 450 E HN 0.370 nan 8.360 nan 0.000 0.474 451 F N 0.990 120.936 119.950 -0.006 0.000 2.507 451 F HA 0.505 4.973 4.527 -0.099 0.000 0.327 451 F C 0.539 176.303 175.800 -0.058 0.000 1.068 451 F CA -1.029 56.978 58.000 0.011 0.000 0.965 451 F CB 1.311 40.330 39.000 0.030 0.000 1.192 451 F HN -0.198 nan 8.300 nan 0.000 0.476 452 R N -0.246 120.366 120.500 0.186 0.000 2.766 452 R HA 0.913 5.193 4.340 -0.099 0.000 0.270 452 R C -2.384 174.000 176.300 0.140 0.000 1.035 452 R CA -1.090 55.057 56.100 0.078 0.000 0.911 452 R CB 1.883 32.180 30.300 -0.006 0.000 1.243 452 R HN 0.450 nan 8.270 nan 0.000 0.460 453 V N 1.316 121.263 119.914 0.055 0.000 2.876 453 V HA 0.326 4.386 4.120 -0.099 0.000 0.312 453 V C -1.051 175.022 176.094 -0.035 0.000 1.085 453 V CA -0.508 61.834 62.300 0.069 0.000 0.945 453 V CB 2.140 33.956 31.823 -0.012 0.000 1.017 453 V HN 1.006 nan 8.190 nan 0.000 0.428 454 D N 3.244 123.666 120.400 0.037 0.000 2.511 454 D HA 0.288 4.868 4.640 -0.099 0.000 0.276 454 D C 1.262 177.461 176.300 -0.167 0.000 1.220 454 D CA 0.214 54.175 54.000 -0.064 0.000 1.077 454 D CB 0.772 41.613 40.800 0.069 0.000 1.126 454 D HN 0.563 nan 8.370 nan 0.000 0.583 455 G N -1.352 107.379 108.800 -0.114 0.000 2.708 455 G HA2 -0.137 3.763 3.960 -0.099 0.000 0.210 455 G HA3 -0.137 3.763 3.960 -0.099 0.000 0.210 455 G C 0.810 175.672 174.900 -0.063 0.000 1.141 455 G CA 0.221 45.245 45.100 -0.125 0.000 0.788 455 G HN 0.374 nan 8.290 nan 0.000 0.531 456 E N -0.590 119.611 120.200 0.003 0.000 2.498 456 E HA 0.134 4.425 4.350 -0.099 0.000 0.203 456 E C -0.163 176.596 176.600 0.266 0.000 1.013 456 E CA -0.719 55.769 56.400 0.146 0.000 0.927 456 E CB 0.164 29.949 29.700 0.142 0.000 1.012 456 E HN 0.460 nan 8.360 nan 0.000 0.482 457 Y N -0.133 120.238 120.300 0.118 0.000 4.272 457 Y HA -0.255 4.235 4.550 -0.099 0.000 0.232 457 Y C 0.011 175.910 175.900 -0.003 0.000 1.149 457 Y CA 0.262 58.396 58.100 0.056 0.000 1.961 457 Y CB -2.115 36.390 38.460 0.074 0.000 1.611 457 Y HN 0.043 nan 8.280 nan 0.000 0.682 458 N N 0.919 119.690 118.700 0.118 0.000 2.498 458 N HA 0.512 5.192 4.740 -0.099 0.000 0.287 458 N C -0.020 175.519 175.510 0.048 0.000 1.097 458 N CA -0.540 52.527 53.050 0.029 0.000 0.973 458 N CB 1.171 39.666 38.487 0.014 0.000 1.153 458 N HN 0.200 nan 8.380 nan 0.000 0.472 459 L N 2.209 123.412 121.223 -0.033 0.000 2.371 459 L HA 0.313 4.593 4.340 -0.099 0.000 0.272 459 L C -0.686 176.130 176.870 -0.090 0.000 1.124 459 L CA -0.252 54.624 54.840 0.061 0.000 0.816 459 L CB 0.247 42.382 42.059 0.127 0.000 1.129 459 L HN 0.405 nan 8.230 nan 0.000 0.448 460 Y N 1.164 121.541 120.300 0.128 0.000 2.477 460 Y HA 0.424 4.915 4.550 -0.099 0.000 0.347 460 Y C -0.253 175.686 175.900 0.065 0.000 0.981 460 Y CA -0.765 57.383 58.100 0.081 0.000 1.033 460 Y CB 1.919 40.395 38.460 0.026 0.000 1.245 460 Y HN 0.423 nan 8.280 nan 0.000 0.455 461 Q N 2.985 122.846 119.800 0.103 0.000 2.337 461 Q HA 0.239 4.520 4.340 -0.099 0.000 0.264 461 Q C -0.762 175.223 176.000 -0.025 0.000 1.007 461 Q CA -0.431 55.251 55.803 -0.202 0.000 0.727 461 Q CB 0.579 29.106 28.738 -0.353 0.000 1.256 461 Q HN 0.900 nan 8.270 nan 0.000 0.467 462 H N 3.377 122.351 119.070 -0.159 0.000 2.756 462 H HA -0.186 4.310 4.556 -0.099 0.000 0.315 462 H C -0.331 174.982 175.328 -0.024 0.000 1.210 462 H CA 1.570 57.561 56.048 -0.095 0.000 1.150 462 H CB -0.678 29.020 29.762 -0.108 0.000 1.463 462 H HN 1.098 nan 8.280 nan 0.000 0.427 463 D N -0.740 119.705 120.400 0.075 0.000 3.079 463 D HA -0.163 4.417 4.640 -0.099 0.000 0.214 463 D C -0.031 176.413 176.300 0.239 0.000 1.145 463 D CA 1.812 55.880 54.000 0.113 0.000 0.958 463 D CB -0.840 39.983 40.800 0.038 0.000 1.117 463 D HN 0.656 nan 8.370 nan 0.000 0.416 464 T N -0.026 114.668 114.554 0.232 0.000 2.779 464 T HA 0.343 4.634 4.350 -0.099 0.000 0.280 464 T C -0.334 174.414 174.700 0.080 0.000 0.987 464 T CA -0.690 61.506 62.100 0.160 0.000 0.966 464 T CB 0.877 69.790 68.868 0.076 0.000 0.933 464 T HN 0.144 nan 8.240 nan 0.000 0.442 465 N N 4.380 123.035 118.700 -0.075 0.000 2.483 465 N HA 0.123 4.803 4.740 -0.099 0.000 0.264 465 N C -0.481 174.902 175.510 -0.212 0.000 1.197 465 N CA -0.212 52.554 53.050 -0.472 0.000 0.927 465 N CB 0.242 38.440 38.487 -0.482 0.000 1.065 465 N HN 0.451 nan 8.380 nan 0.000 0.461 466 L N 2.004 123.110 121.223 -0.194 0.000 2.418 466 L HA 0.374 4.655 4.340 -0.099 0.000 0.265 466 L C 1.071 177.903 176.870 -0.065 0.000 1.143 466 L CA 0.038 54.842 54.840 -0.060 0.000 0.809 466 L CB 1.049 43.122 42.059 0.022 0.000 1.124 466 L HN 0.665 nan 8.230 nan 0.000 0.456 467 T N -1.349 113.188 114.554 -0.027 0.000 2.883 467 T HA 0.818 5.108 4.350 -0.099 0.000 0.296 467 T C -0.588 174.112 174.700 -0.001 0.000 1.117 467 T CA -0.854 61.242 62.100 -0.008 0.000 1.006 467 T CB 1.529 70.388 68.868 -0.014 0.000 1.191 467 T HN 0.852 nan 8.240 nan 0.000 0.508 468 C N 0.040 119.350 119.300 0.018 0.000 3.090 468 C HA 0.834 5.234 4.460 -0.099 0.000 0.305 468 C C -0.803 174.163 174.990 -0.041 0.000 1.292 468 C CA -1.274 57.740 59.018 -0.007 0.000 1.482 468 C CB 1.219 28.978 27.740 0.032 0.000 1.897 468 C HN 0.964 nan 8.230 nan 0.000 0.469 469 K N 1.748 122.083 120.400 -0.108 0.000 2.368 469 K HA 0.213 4.474 4.320 -0.099 0.000 0.282 469 K C 0.062 176.519 176.600 -0.238 0.000 1.035 469 K CA 0.546 56.725 56.287 -0.180 0.000 0.973 469 K CB 0.736 33.087 32.500 -0.248 0.000 0.957 469 K HN 0.919 nan 8.250 nan 0.000 0.474 470 Q N 2.364 122.046 119.800 -0.197 0.000 2.340 470 Q HA 0.093 4.374 4.340 -0.099 0.000 0.249 470 Q C -0.957 174.849 176.000 -0.324 0.000 0.957 470 Q CA -0.135 55.556 55.803 -0.186 0.000 0.882 470 Q CB 0.496 29.169 28.738 -0.108 0.000 1.235 470 Q HN 0.371 nan 8.270 nan 0.000 0.439 471 Y N 1.371 121.413 120.300 -0.430 0.000 2.376 471 Y HA 0.281 4.771 4.550 -0.099 0.000 0.325 471 Y C -0.009 175.647 175.900 -0.406 0.000 1.199 471 Y CA -0.278 57.463 58.100 -0.597 0.000 1.206 471 Y CB 1.567 39.188 38.460 -1.399 0.000 1.229 471 Y HN 0.713 nan 8.280 nan 0.000 0.480 472 D N 0.212 120.561 120.400 -0.085 0.000 2.423 472 D HA 0.405 4.985 4.640 -0.099 0.000 0.235 472 D C -1.816 174.551 176.300 0.111 0.000 1.011 472 D CA -0.544 53.418 54.000 -0.064 0.000 0.963 472 D CB 1.255 41.974 40.800 -0.136 0.000 1.349 472 D HN 0.341 nan 8.370 nan 0.000 0.508 473 Y N -0.382 119.950 120.300 0.053 0.000 2.433 473 Y HA 0.648 5.138 4.550 -0.100 0.000 0.337 473 Y C -0.909 175.009 175.900 0.030 0.000 1.026 473 Y CA -1.002 57.138 58.100 0.067 0.000 1.037 473 Y CB 1.155 39.731 38.460 0.195 0.000 1.245 473 Y HN 0.111 nan 8.280 nan 0.000 0.443 474 N N 2.183 120.893 118.700 0.016 0.000 2.396 474 N HA 0.396 5.077 4.740 -0.099 0.000 0.275 474 N C -1.950 173.479 175.510 -0.134 0.000 1.218 474 N CA -0.695 52.337 53.050 -0.030 0.000 0.812 474 N CB 2.499 40.969 38.487 -0.029 0.000 1.592 474 N HN 0.508 nan 8.380 nan 0.000 0.480 475 F N 0.760 120.639 119.950 -0.117 0.000 2.396 475 F HA 0.227 4.695 4.527 -0.099 0.000 0.343 475 F C 1.187 176.930 175.800 -0.096 0.000 1.104 475 F CA -0.030 57.881 58.000 -0.148 0.000 1.161 475 F CB 1.253 40.110 39.000 -0.238 0.000 1.146 475 F HN 0.226 nan 8.300 nan 0.000 0.522 476 S N 3.366 119.115 115.700 0.082 0.000 2.532 476 S HA 0.574 4.985 4.470 -0.099 0.000 0.256 476 S C 0.298 174.938 174.600 0.067 0.000 1.298 476 S CA 0.217 58.443 58.200 0.044 0.000 1.166 476 S CB -0.439 62.762 63.200 0.002 0.000 1.022 476 S HN 1.200 nan 8.310 nan 0.000 0.480 477 G N 4.964 113.804 108.800 0.068 0.000 2.531 477 G HA2 -0.297 3.604 3.960 -0.099 0.000 0.274 477 G HA3 -0.297 3.604 3.960 -0.099 0.000 0.274 477 G C 0.467 175.428 174.900 0.101 0.000 1.159 477 G CA 0.254 45.381 45.100 0.046 0.000 0.969 477 G HN 0.595 nan 8.290 nan 0.000 0.554 478 N N 2.308 121.062 118.700 0.089 0.000 2.398 478 N HA 0.064 4.744 4.740 -0.099 0.000 0.188 478 N C 0.261 175.908 175.510 0.229 0.000 1.122 478 N CA 0.343 53.474 53.050 0.135 0.000 0.866 478 N CB -0.157 38.365 38.487 0.059 0.000 0.970 478 N HN 0.459 nan 8.380 nan 0.000 0.462 479 N N 1.164 119.947 118.700 0.139 0.000 2.479 479 N HA 0.102 4.783 4.740 -0.099 0.000 0.285 479 N C -0.654 174.732 175.510 -0.206 0.000 1.075 479 N CA -0.321 52.730 53.050 0.001 0.000 0.967 479 N CB 1.974 40.450 38.487 -0.020 0.000 1.137 479 N HN 0.028 nan 8.380 nan 0.000 0.472 480 L N 4.319 125.284 121.223 -0.431 0.000 2.255 480 L HA 0.360 4.641 4.340 -0.099 0.000 0.289 480 L C -0.799 175.890 176.870 -0.301 0.000 1.046 480 L CA -0.435 53.961 54.840 -0.740 0.000 0.816 480 L CB 0.248 41.783 42.059 -0.874 0.000 1.197 480 L HN 0.348 nan 8.230 nan 0.000 0.427 481 I N 4.973 125.415 120.570 -0.214 0.000 2.325 481 I HA 0.265 4.375 4.170 -0.099 0.000 0.291 481 I C 0.385 176.505 176.117 0.006 0.000 1.019 481 I CA -0.212 61.042 61.300 -0.077 0.000 1.302 481 I CB 0.955 38.923 38.000 -0.054 0.000 1.401 481 I HN 0.544 nan 8.210 nan 0.000 0.485 482 E N 5.043 125.275 120.200 0.054 0.000 2.073 482 E HA 0.386 4.676 4.350 -0.099 0.000 0.269 482 E C -0.605 176.120 176.600 0.208 0.000 0.917 482 E CA -0.371 56.120 56.400 0.152 0.000 0.757 482 E CB 1.300 31.078 29.700 0.130 0.000 1.111 482 E HN 0.657 nan 8.360 nan 0.000 0.410 483 S N 2.481 118.292 115.700 0.185 0.000 2.542 483 S HA 0.463 4.874 4.470 -0.099 0.000 0.293 483 S C -0.180 174.333 174.600 -0.145 0.000 1.089 483 S CA -1.201 57.043 58.200 0.073 0.000 0.961 483 S CB 1.818 65.011 63.200 -0.012 0.000 1.062 483 S HN 0.225 nan 8.310 nan 0.000 0.483 484 K N 1.337 121.491 120.400 -0.411 0.000 2.276 484 K HA 0.403 4.663 4.320 -0.099 0.000 0.259 484 K C 0.712 177.113 176.600 -0.331 0.000 1.001 484 K CA -0.034 55.874 56.287 -0.632 0.000 0.927 484 K CB 0.459 32.608 32.500 -0.586 0.000 0.969 484 K HN 0.880 nan 8.250 nan 0.000 0.490 485 T N -2.850 111.521 114.554 -0.304 0.000 2.762 485 T HA 0.157 4.447 4.350 -0.099 0.000 0.272 485 T C 0.537 175.137 174.700 -0.168 0.000 0.982 485 T CA -0.682 61.303 62.100 -0.191 0.000 1.013 485 T CB 0.977 69.749 68.868 -0.159 0.000 1.309 485 T HN 0.646 nan 8.240 nan 0.000 0.572 486 D N -0.435 119.893 120.400 -0.120 0.000 2.339 486 D HA 0.065 4.645 4.640 -0.099 0.000 0.217 486 D C 0.433 176.682 176.300 -0.085 0.000 1.050 486 D CA -0.158 53.783 54.000 -0.098 0.000 0.856 486 D CB -0.497 40.259 40.800 -0.074 0.000 0.922 486 D HN 0.311 nan 8.370 nan 0.000 0.518 487 V N 2.118 121.978 119.914 -0.090 0.000 2.521 487 V HA 0.042 4.102 4.120 -0.099 0.000 0.286 487 V C 0.267 176.322 176.094 -0.065 0.000 1.034 487 V CA -0.093 62.166 62.300 -0.068 0.000 1.045 487 V CB 0.901 32.686 31.823 -0.062 0.000 0.974 487 V HN 0.073 nan 8.190 nan 0.000 0.480 488 D N 3.872 124.247 120.400 -0.041 0.000 2.225 488 D HA 0.482 5.062 4.640 -0.099 0.000 0.248 488 D C -0.095 176.204 176.300 -0.001 0.000 1.096 488 D CA 0.041 54.024 54.000 -0.028 0.000 0.863 488 D CB 2.152 42.939 40.800 -0.022 0.000 1.156 488 D HN 0.471 nan 8.370 nan 0.000 0.450 489 V N -0.167 119.760 119.914 0.021 0.000 3.001 489 V HA 0.474 4.534 4.120 -0.099 0.000 0.314 489 V C -0.036 176.118 176.094 0.101 0.000 1.099 489 V CA -1.250 61.094 62.300 0.073 0.000 0.989 489 V CB 1.662 33.549 31.823 0.107 0.000 1.040 489 V HN 0.339 nan 8.190 nan 0.000 0.434 490 N N 2.512 121.279 118.700 0.112 0.000 2.454 490 N HA 0.228 4.909 4.740 -0.099 0.000 0.260 490 N C -0.115 175.467 175.510 0.120 0.000 1.218 490 N CA -0.086 53.001 53.050 0.061 0.000 0.904 490 N CB 0.626 39.127 38.487 0.024 0.000 1.065 490 N HN 0.862 nan 8.380 nan 0.000 0.462 491 M N 3.211 122.833 119.600 0.037 0.000 2.292 491 M HA 0.005 4.426 4.480 -0.099 0.000 0.342 491 M C -0.495 175.716 176.300 -0.147 0.000 1.538 491 M CA 0.121 55.440 55.300 0.033 0.000 1.163 491 M CB 0.032 32.635 32.600 0.005 0.000 1.823 491 M HN 0.547 nan 8.290 nan 0.000 0.462 492 N N 4.731 123.122 118.700 -0.515 0.000 2.456 492 N HA 0.223 4.904 4.740 -0.099 0.000 0.296 492 N C 0.941 176.126 175.510 -0.542 0.000 1.102 492 N CA -0.374 52.268 53.050 -0.679 0.000 0.924 492 N CB 1.175 38.907 38.487 -1.258 0.000 1.186 492 N HN 0.892 nan 8.380 nan 0.000 0.492 493 I N -0.504 119.825 120.570 -0.403 0.000 2.800 493 I HA -0.092 4.018 4.170 -0.099 0.000 0.266 493 I C 0.283 176.048 176.117 -0.586 0.000 1.249 493 I CA 1.169 62.196 61.300 -0.456 0.000 1.458 493 I CB -0.314 37.368 38.000 -0.530 0.000 1.093 493 I HN 0.241 nan 8.210 nan 0.000 0.466 494 F N 0.087 119.834 119.950 -0.338 0.000 2.727 494 F HA 0.288 4.756 4.527 -0.099 0.000 0.302 494 F C 0.430 176.142 175.800 -0.147 0.000 1.097 494 F CA -0.548 57.258 58.000 -0.323 0.000 1.330 494 F CB -0.317 38.361 39.000 -0.536 0.000 1.084 494 F HN -0.053 nan 8.300 nan 0.000 0.578 495 Y N 0.941 121.172 120.300 -0.115 0.000 2.301 495 Y HA 0.200 4.691 4.550 -0.099 0.000 0.325 495 Y C 1.755 177.611 175.900 -0.073 0.000 1.203 495 Y CA -1.888 56.154 58.100 -0.096 0.000 1.255 495 Y CB 0.668 39.105 38.460 -0.038 0.000 1.232 495 Y HN -0.049 nan 8.280 nan 0.000 0.501 496 K N 1.503 121.961 120.400 0.097 0.000 2.097 496 K HA -0.168 4.092 4.320 -0.099 0.000 0.206 496 K C 0.046 176.663 176.600 0.029 0.000 1.049 496 K CA 1.959 58.261 56.287 0.025 0.000 0.933 496 K CB -0.125 32.362 32.500 -0.022 0.000 0.717 496 K HN 0.761 nan 8.250 nan 0.000 0.442 497 N N 0.739 119.485 118.700 0.078 0.000 2.295 497 N HA 0.004 4.684 4.740 -0.099 0.000 0.221 497 N C -0.812 174.661 175.510 -0.061 0.000 1.129 497 N CA -0.495 52.565 53.050 0.017 0.000 0.836 497 N CB 0.852 39.377 38.487 0.062 0.000 1.040 497 N HN 0.042 nan 8.380 nan 0.000 0.494 498 S N 0.275 115.941 115.700 -0.058 0.000 2.580 498 S HA 0.099 4.510 4.470 -0.099 0.000 0.274 498 S C 1.592 175.987 174.600 -0.342 0.000 1.329 498 S CA -0.816 57.305 58.200 -0.132 0.000 1.036 498 S CB 0.985 64.135 63.200 -0.085 0.000 0.919 498 S HN 0.169 nan 8.310 nan 0.000 0.515 499 V N 2.191 121.818 119.914 -0.478 0.000 2.809 499 V HA 0.345 4.406 4.120 -0.099 0.000 0.256 499 V C -0.030 175.572 176.094 -0.819 0.000 1.080 499 V CA 0.802 62.497 62.300 -1.009 0.000 1.102 499 V CB -0.946 30.304 31.823 -0.954 0.000 0.705 499 V HN 0.635 nan 8.190 nan 0.000 0.475 500 F N 1.074 120.851 119.950 -0.287 0.000 2.499 500 F HA 0.668 5.135 4.527 -0.099 0.000 0.333 500 F C 0.102 175.804 175.800 -0.163 0.000 1.138 500 F CA -1.078 56.815 58.000 -0.178 0.000 0.945 500 F CB 1.966 40.861 39.000 -0.174 0.000 1.181 500 F HN -0.099 nan 8.300 nan 0.000 0.435 501 K N 2.495 122.935 120.400 0.066 0.000 2.207 501 K HA 0.832 5.092 4.320 -0.099 0.000 0.255 501 K C -0.390 176.285 176.600 0.124 0.000 0.941 501 K CA -0.956 55.348 56.287 0.029 0.000 0.825 501 K CB 2.186 34.695 32.500 0.016 0.000 1.119 501 K HN 0.620 nan 8.250 nan 0.000 0.430 502 A N 2.199 125.013 122.820 -0.010 0.000 2.332 502 A HA 0.254 4.514 4.320 -0.099 0.000 0.258 502 A C -0.516 177.238 177.584 0.283 0.000 1.087 502 A CA -0.383 51.672 52.037 0.030 0.000 0.802 502 A CB 0.075 18.875 19.000 -0.334 0.000 1.042 502 A HN 0.693 nan 8.150 nan 0.000 0.489 503 F N 2.952 122.949 119.950 0.079 0.000 2.578 503 F HA 0.283 4.750 4.527 -0.099 0.000 0.376 503 F C -1.318 174.549 175.800 0.110 0.000 1.085 503 F CA -1.742 56.178 58.000 -0.134 0.000 1.260 503 F CB 0.753 39.533 39.000 -0.366 0.000 1.095 503 F HN 0.341 nan 8.300 nan 0.000 0.573 504 P HA -0.011 nan 4.420 nan 0.000 0.249 504 P C -0.162 176.928 177.300 -0.350 0.000 1.686 504 P CA 0.275 63.178 63.100 -0.330 0.000 0.873 504 P CB -0.192 31.332 31.700 -0.292 0.000 1.828 505 T N 0.103 114.525 114.554 -0.221 0.000 2.870 505 T HA 0.292 4.583 4.350 -0.099 0.000 0.277 505 T C -0.069 174.508 174.700 -0.205 0.000 1.000 505 T CA -0.848 61.146 62.100 -0.177 0.000 0.982 505 T CB 0.964 69.792 68.868 -0.068 0.000 1.249 505 T HN 0.149 nan 8.240 nan 0.000 0.589 506 N N 0.394 118.949 118.700 -0.242 0.000 2.489 506 N HA 0.283 4.964 4.740 -0.099 0.000 0.284 506 N C -1.514 173.725 175.510 -0.452 0.000 1.158 506 N CA -0.257 52.668 53.050 -0.209 0.000 0.965 506 N CB 1.013 39.434 38.487 -0.110 0.000 1.195 506 N HN 0.544 nan 8.380 nan 0.000 0.506 507 Y N -0.477 119.789 120.300 -0.056 0.000 2.630 507 Y HA 0.517 5.008 4.550 -0.099 0.000 0.337 507 Y C -0.141 175.738 175.900 -0.035 0.000 1.051 507 Y CA -0.964 57.122 58.100 -0.023 0.000 1.121 507 Y CB 1.848 40.285 38.460 -0.039 0.000 1.299 507 Y HN 0.278 nan 8.280 nan 0.000 0.498 508 L N 2.098 123.396 121.223 0.125 0.000 2.298 508 L HA 0.803 5.083 4.340 -0.099 0.000 0.284 508 L C -0.403 176.539 176.870 0.119 0.000 1.013 508 L CA -0.714 54.175 54.840 0.080 0.000 0.824 508 L CB 1.182 43.248 42.059 0.012 0.000 1.221 508 L HN 0.733 nan 8.230 nan 0.000 0.418 509 A N 4.623 127.531 122.820 0.146 0.000 2.354 509 A HA 1.024 5.284 4.320 -0.099 0.000 0.321 509 A C -0.621 177.008 177.584 0.076 0.000 1.125 509 A CA -0.540 51.579 52.037 0.135 0.000 0.799 509 A CB 2.008 21.127 19.000 0.198 0.000 1.293 509 A HN 0.737 nan 8.150 nan 0.000 0.452 510 M N 0.018 119.624 119.600 0.011 0.000 2.643 510 M HA 0.753 5.173 4.480 -0.099 0.000 0.276 510 M C -1.374 174.893 176.300 -0.055 0.000 1.200 510 M CA -0.214 55.002 55.300 -0.139 0.000 0.863 510 M CB 1.619 34.034 32.600 -0.308 0.000 1.711 510 M HN 0.582 nan 8.290 nan 0.000 0.492 511 R N 0.876 121.332 120.500 -0.074 0.000 2.771 511 R HA 0.763 5.043 4.340 -0.099 0.000 0.274 511 R C -1.853 174.640 176.300 0.323 0.000 0.987 511 R CA -0.871 55.277 56.100 0.079 0.000 0.908 511 R CB 2.404 32.689 30.300 -0.024 0.000 1.213 511 R HN 0.890 nan 8.270 nan 0.000 0.468 512 Y N -1.644 118.813 120.300 0.260 0.000 2.598 512 Y HA 0.804 5.294 4.550 -0.099 0.000 0.340 512 Y C -0.632 175.171 175.900 -0.162 0.000 1.038 512 Y CA -1.202 56.913 58.100 0.026 0.000 1.100 512 Y CB 2.051 40.432 38.460 -0.130 0.000 1.281 512 Y HN 0.437 nan 8.280 nan 0.000 0.488 513 S N 0.434 115.983 115.700 -0.253 0.000 2.572 513 S HA 0.336 4.747 4.470 -0.099 0.000 0.274 513 S C -1.158 173.258 174.600 -0.307 0.000 1.150 513 S CA -0.678 57.178 58.200 -0.573 0.000 0.944 513 S CB 1.029 63.341 63.200 -1.480 0.000 1.071 513 S HN 0.793 nan 8.310 nan 0.000 0.479 514 D N 2.439 122.729 120.400 -0.184 0.000 2.363 514 D HA 0.150 4.731 4.640 -0.099 0.000 0.214 514 D C -0.143 176.073 176.300 -0.139 0.000 1.093 514 D CA 0.306 54.233 54.000 -0.122 0.000 0.837 514 D CB 0.494 41.272 40.800 -0.037 0.000 0.948 514 D HN 0.741 nan 8.370 nan 0.000 0.507 515 D N -0.500 119.775 120.400 -0.209 0.000 2.819 515 D HA 0.043 4.624 4.640 -0.099 0.000 0.326 515 D C -0.197 176.004 176.300 -0.164 0.000 1.408 515 D CA -0.374 53.532 54.000 -0.157 0.000 0.811 515 D CB -0.468 40.251 40.800 -0.134 0.000 1.148 515 D HN -0.115 nan 8.370 nan 0.000 0.457 516 E N -0.105 119.988 120.200 -0.178 0.000 2.360 516 E HA -0.205 4.085 4.350 -0.099 0.000 0.238 516 E C 0.986 177.561 176.600 -0.042 0.000 1.186 516 E CA 0.529 56.886 56.400 -0.071 0.000 0.719 516 E CB -1.637 28.082 29.700 0.032 0.000 1.236 516 E HN 0.729 nan 8.360 nan 0.000 0.386 517 G N -1.491 107.034 108.800 -0.460 0.000 2.175 517 G HA2 -0.358 3.543 3.960 -0.099 0.000 0.244 517 G HA3 -0.358 3.543 3.960 -0.099 0.000 0.244 517 G C 0.985 175.758 174.900 -0.211 0.000 0.982 517 G CA 0.611 45.414 45.100 -0.494 0.000 0.641 517 G HN 0.815 nan 8.290 nan 0.000 0.527 518 A N -0.275 122.437 122.820 -0.180 0.000 1.933 518 A HA 0.475 4.736 4.320 -0.099 0.000 0.218 518 A C 1.634 179.158 177.584 -0.100 0.000 1.175 518 A CA 2.476 54.469 52.037 -0.073 0.000 0.628 518 A CB -0.270 18.692 19.000 -0.064 0.000 0.814 518 A HN 2.179 nan 8.150 nan 0.000 0.444 519 S N -3.502 112.041 115.700 -0.262 0.000 2.556 519 S HA 0.618 5.028 4.470 -0.099 0.000 0.271 519 S C -1.379 172.965 174.600 -0.427 0.000 1.135 519 S CA -0.879 57.207 58.200 -0.191 0.000 0.858 519 S CB 0.723 63.853 63.200 -0.116 0.000 1.114 519 S HN 0.376 nan 8.310 nan 0.000 0.468 520 W N 1.359 122.547 121.300 -0.187 0.000 2.864 520 W HA 0.684 5.284 4.660 -0.100 0.000 0.343 520 W C 0.635 176.968 176.519 -0.311 0.000 1.109 520 W CA -0.483 56.702 57.345 -0.268 0.000 1.192 520 W CB 1.927 31.231 29.460 -0.260 0.000 1.426 520 W HN 0.952 nan 8.180 nan 0.000 0.529 521 S N 0.267 115.808 115.700 -0.266 0.000 2.626 521 S HA 0.231 4.641 4.470 -0.099 0.000 0.257 521 S C -0.028 174.494 174.600 -0.129 0.000 1.288 521 S CA -0.582 57.383 58.200 -0.391 0.000 0.980 521 S CB 0.509 63.116 63.200 -0.988 0.000 0.975 521 S HN 0.403 nan 8.310 nan 0.000 0.577 522 D N 0.027 120.383 120.400 -0.074 0.000 2.354 522 D HA 0.209 4.789 4.640 -0.099 0.000 0.238 522 D C -0.048 176.286 176.300 0.058 0.000 1.250 522 D CA -0.339 53.666 54.000 0.008 0.000 0.911 522 D CB -0.020 40.793 40.800 0.022 0.000 1.163 522 D HN 0.416 nan 8.370 nan 0.000 0.456 523 L N 1.737 123.030 121.223 0.116 0.000 2.477 523 L HA 0.088 4.368 4.340 -0.099 0.000 0.272 523 L C -0.273 176.771 176.870 0.290 0.000 1.157 523 L CA 0.408 55.368 54.840 0.199 0.000 0.889 523 L CB 0.025 42.286 42.059 0.337 0.000 1.158 523 L HN 0.191 nan 8.230 nan 0.000 0.473 524 D N 5.543 126.085 120.400 0.236 0.000 2.441 524 D HA 0.261 4.841 4.640 -0.099 0.000 0.231 524 D C -0.467 175.976 176.300 0.239 0.000 1.073 524 D CA -0.233 53.929 54.000 0.270 0.000 0.850 524 D CB 0.561 41.521 40.800 0.268 0.000 1.062 524 D HN 0.420 nan 8.370 nan 0.000 0.524 525 I N 4.745 125.481 120.570 0.277 0.000 2.281 525 I HA 0.032 4.142 4.170 -0.099 0.000 0.293 525 I C 1.635 177.856 176.117 0.173 0.000 1.085 525 I CA -0.532 60.899 61.300 0.218 0.000 1.257 525 I CB 1.317 39.441 38.000 0.207 0.000 1.430 525 I HN 0.323 nan 8.210 nan 0.000 0.489 526 V N 1.878 121.826 119.914 0.056 0.000 3.623 526 V HA 0.007 4.067 4.120 -0.099 0.000 0.271 526 V C 1.489 177.236 176.094 -0.579 0.000 1.248 526 V CA 0.628 62.870 62.300 -0.096 0.000 1.156 526 V CB -0.241 31.560 31.823 -0.037 0.000 0.870 526 V HN 0.794 nan 8.190 nan 0.000 0.453 527 S N 0.769 116.182 115.700 -0.478 0.000 2.768 527 S HA 0.061 4.471 4.470 -0.099 0.000 0.246 527 S C 1.662 175.716 174.600 -0.911 0.000 1.006 527 S CA 0.319 58.017 58.200 -0.837 0.000 1.075 527 S CB -0.572 62.460 63.200 -0.281 0.000 0.786 527 S HN 0.884 nan 8.310 nan 0.000 0.468 528 S N 1.758 116.771 115.700 -1.145 0.000 2.442 528 S HA -0.115 4.295 4.470 -0.099 0.000 0.236 528 S C 1.344 175.482 174.600 -0.770 0.000 1.007 528 S CA 0.480 57.729 58.200 -1.584 0.000 0.965 528 S CB -1.060 61.530 63.200 -1.017 0.000 0.773 528 S HN 0.785 nan 8.310 nan 0.000 0.504 529 F N 1.152 120.902 119.950 -0.334 0.000 2.811 529 F HA 0.456 4.923 4.527 -0.099 0.000 0.301 529 F C 0.606 176.278 175.800 -0.213 0.000 1.151 529 F CA -1.401 56.487 58.000 -0.187 0.000 1.412 529 F CB -0.899 38.069 39.000 -0.053 0.000 1.113 529 F HN -0.008 nan 8.300 nan 0.000 0.579 530 K N 3.592 123.968 120.400 -0.040 0.000 2.437 530 K HA 0.060 4.320 4.320 -0.099 0.000 0.277 530 K C -2.377 174.198 176.600 -0.042 0.000 1.073 530 K CA -1.471 54.776 56.287 -0.066 0.000 1.105 530 K CB 0.118 32.550 32.500 -0.114 0.000 0.881 530 K HN 0.013 nan 8.250 nan 0.000 0.475 531 P HA -0.062 nan 4.420 nan 0.000 0.262 531 P C -0.488 176.803 177.300 -0.015 0.000 1.182 531 P CA 0.325 63.424 63.100 -0.001 0.000 0.761 531 P CB 0.624 32.333 31.700 0.015 0.000 0.795 532 E N 1.612 121.810 120.200 -0.004 0.000 2.333 532 E HA -0.110 4.180 4.350 -0.099 0.000 0.198 532 E C 1.424 178.019 176.600 -0.009 0.000 1.007 532 E CA 0.531 56.923 56.400 -0.014 0.000 0.845 532 E CB -0.105 29.585 29.700 -0.017 0.000 0.766 532 E HN 0.204 nan 8.360 nan 0.000 0.507 533 V N 0.874 120.784 119.914 -0.006 0.000 3.608 533 V HA -0.008 4.053 4.120 -0.099 0.000 0.269 533 V C 0.459 176.535 176.094 -0.029 0.000 1.245 533 V CA 0.388 62.684 62.300 -0.008 0.000 1.138 533 V CB 0.099 31.921 31.823 -0.002 0.000 0.841 533 V HN 0.180 nan 8.190 nan 0.000 0.451 534 S N -0.716 114.956 115.700 -0.047 0.000 2.562 534 S HA 0.274 4.685 4.470 -0.099 0.000 0.275 534 S C 0.874 175.420 174.600 -0.090 0.000 1.281 534 S CA -0.240 57.899 58.200 -0.102 0.000 1.045 534 S CB 1.595 64.714 63.200 -0.135 0.000 0.962 534 S HN 0.431 nan 8.310 nan 0.000 0.503 535 K N 1.157 121.464 120.400 -0.155 0.000 2.044 535 K HA 0.120 4.380 4.320 -0.099 0.000 0.204 535 K C -0.189 176.420 176.600 0.015 0.000 1.049 535 K CA 0.754 57.004 56.287 -0.062 0.000 0.945 535 K CB -0.040 32.427 32.500 -0.055 0.000 0.724 535 K HN 0.786 nan 8.250 nan 0.000 0.440 536 F N -0.881 119.024 119.950 -0.076 0.000 2.654 536 F HA 0.543 5.011 4.527 -0.099 0.000 0.308 536 F C -1.647 174.055 175.800 -0.163 0.000 1.108 536 F CA -1.718 56.205 58.000 -0.129 0.000 0.957 536 F CB 1.126 40.047 39.000 -0.131 0.000 1.309 536 F HN -0.227 nan 8.300 nan 0.000 0.446 537 L N 4.707 125.957 121.223 0.046 0.000 2.504 537 L HA 0.786 5.066 4.340 -0.099 0.000 0.265 537 L C -1.292 175.529 176.870 -0.081 0.000 0.975 537 L CA -0.610 54.182 54.840 -0.079 0.000 0.864 537 L CB 1.375 43.330 42.059 -0.173 0.000 1.212 537 L HN 0.909 nan 8.230 nan 0.000 0.416 538 V N 2.523 122.326 119.914 -0.185 0.000 3.158 538 V HA 0.860 4.920 4.120 -0.099 0.000 0.315 538 V C 0.011 175.970 176.094 -0.224 0.000 1.148 538 V CA -0.440 61.717 62.300 -0.239 0.000 1.042 538 V CB 1.649 33.249 31.823 -0.372 0.000 1.101 538 V HN 0.663 nan 8.190 nan 0.000 0.448 539 V N -0.983 118.877 119.914 -0.091 0.000 3.036 539 V HA 0.869 4.929 4.120 -0.099 0.000 0.308 539 V C 0.650 176.828 176.094 0.140 0.000 1.070 539 V CA 0.295 62.597 62.300 0.003 0.000 1.056 539 V CB 0.964 32.805 31.823 0.030 0.000 1.084 539 V HN 1.508 nan 8.190 nan 0.000 0.471 540 G N 3.103 111.991 108.800 0.147 0.000 2.404 540 G HA2 0.574 4.475 3.960 -0.099 0.000 0.316 540 G HA3 0.574 4.475 3.960 -0.099 0.000 0.316 540 G C -2.251 172.736 174.900 0.145 0.000 1.074 540 G CA -1.357 43.854 45.100 0.185 0.000 0.989 540 G HN 0.794 nan 8.290 nan 0.000 0.430 541 P HA 0.267 nan 4.420 nan 0.000 0.267 541 P C 0.877 178.281 177.300 0.174 0.000 1.200 541 P CA 1.025 64.240 63.100 0.191 0.000 0.772 541 P CB 1.788 33.640 31.700 0.253 0.000 0.855 542 G N 2.515 111.430 108.800 0.191 0.000 2.013 542 G HA2 0.052 3.952 3.960 -0.099 0.000 0.076 542 G HA3 0.052 3.952 3.960 -0.099 0.000 0.076 542 G C -0.762 174.267 174.900 0.216 0.000 1.053 542 G CA 0.065 45.282 45.100 0.195 0.000 1.230 542 G HN 0.766 nan 8.290 nan 0.000 0.431 543 I N -0.907 119.791 120.570 0.212 0.000 3.074 543 I HA 0.880 4.990 4.170 -0.099 0.000 0.310 543 I C 0.561 176.811 176.117 0.221 0.000 1.153 543 I CA -0.593 60.852 61.300 0.241 0.000 0.993 543 I CB 1.850 39.998 38.000 0.247 0.000 1.237 543 I HN 1.057 nan 8.210 nan 0.000 0.443 544 G N 1.774 110.723 108.800 0.249 0.000 2.531 544 G HA2 0.606 4.506 3.960 -0.099 0.000 0.281 544 G HA3 0.606 4.506 3.960 -0.099 0.000 0.281 544 G C -1.215 173.828 174.900 0.238 0.000 1.382 544 G CA -0.419 44.814 45.100 0.222 0.000 1.045 544 G HN 0.806 nan 8.290 nan 0.000 0.533 545 K N -0.891 119.649 120.400 0.234 0.000 2.535 545 K HA 0.386 4.647 4.320 -0.099 0.000 0.251 545 K C -1.069 175.646 176.600 0.192 0.000 0.942 545 K CA -0.526 55.887 56.287 0.209 0.000 0.798 545 K CB 1.879 34.497 32.500 0.196 0.000 1.267 545 K HN 0.538 nan 8.250 nan 0.000 0.434 546 Q N 4.917 124.820 119.800 0.172 0.000 2.316 546 Q HA 0.460 4.741 4.340 -0.099 0.000 0.264 546 Q C -0.673 175.384 176.000 0.094 0.000 0.987 546 Q CA -0.776 55.111 55.803 0.140 0.000 0.852 546 Q CB 1.064 29.900 28.738 0.163 0.000 1.287 546 Q HN 0.728 nan 8.270 nan 0.000 0.448 547 I N 3.101 123.703 120.570 0.053 0.000 2.533 547 I HA -0.036 4.074 4.170 -0.099 0.000 0.284 547 I C 1.197 177.330 176.117 0.028 0.000 1.109 547 I CA 0.181 61.495 61.300 0.022 0.000 1.412 547 I CB 1.084 39.069 38.000 -0.025 0.000 1.396 547 I HN 0.781 nan 8.210 nan 0.000 0.543 548 S N 2.491 118.208 115.700 0.028 0.000 2.517 548 S HA 0.088 4.498 4.470 -0.099 0.000 0.214 548 S C 0.626 175.236 174.600 0.016 0.000 0.991 548 S CA -0.109 58.109 58.200 0.031 0.000 0.906 548 S CB 0.360 63.582 63.200 0.036 0.000 0.789 548 S HN 0.744 nan 8.310 nan 0.000 0.513 549 T N -0.577 113.979 114.554 0.003 0.000 2.821 549 T HA 0.589 4.879 4.350 -0.099 0.000 0.306 549 T C -0.147 174.544 174.700 -0.016 0.000 1.313 549 T CA 0.529 62.628 62.100 -0.002 0.000 1.012 549 T CB 1.012 69.882 68.868 0.003 0.000 1.298 549 T HN 1.375 nan 8.240 nan 0.000 0.502 550 G N 2.279 111.069 108.800 -0.016 0.000 2.627 550 G HA2 -0.112 3.788 3.960 -0.099 0.000 0.214 550 G HA3 -0.112 3.788 3.960 -0.099 0.000 0.214 550 G C 0.363 175.240 174.900 -0.038 0.000 1.331 550 G CA 0.413 45.496 45.100 -0.028 0.000 0.891 550 G HN 0.678 nan 8.290 nan 0.000 0.539 551 E N 0.283 120.452 120.200 -0.052 0.000 2.160 551 E HA -0.097 4.194 4.350 -0.099 0.000 0.195 551 E C 1.967 178.523 176.600 -0.073 0.000 0.991 551 E CA 1.627 57.992 56.400 -0.059 0.000 0.810 551 E CB -0.241 29.418 29.700 -0.069 0.000 0.742 551 E HN 0.514 nan 8.360 nan 0.000 0.466 552 N N 0.064 118.710 118.700 -0.091 0.000 2.279 552 N HA 0.201 4.882 4.740 -0.099 0.000 0.226 552 N C -0.425 175.036 175.510 -0.081 0.000 1.126 552 N CA 0.021 53.005 53.050 -0.110 0.000 0.846 552 N CB 0.777 39.163 38.487 -0.168 0.000 1.050 552 N HN 0.002 nan 8.380 nan 0.000 0.502 553 A N 0.252 123.043 122.820 -0.050 0.000 2.567 553 A HA 0.413 4.673 4.320 -0.099 0.000 0.240 553 A C 1.599 179.172 177.584 -0.019 0.000 1.053 553 A CA 0.904 52.928 52.037 -0.022 0.000 0.755 553 A CB -0.395 18.602 19.000 -0.005 0.000 0.978 553 A HN 0.494 nan 8.150 nan 0.000 0.507 554 G N 1.413 110.213 108.800 0.001 0.000 2.254 554 G HA2 -0.247 3.654 3.960 -0.099 0.000 0.225 554 G HA3 -0.247 3.654 3.960 -0.099 0.000 0.225 554 G C 0.590 175.455 174.900 -0.060 0.000 1.003 554 G CA 0.372 45.472 45.100 0.000 0.000 0.622 554 G HN 1.107 nan 8.290 nan 0.000 0.507 555 R N 0.648 121.104 120.500 -0.074 0.000 2.570 555 R HA 0.419 4.700 4.340 -0.099 0.000 0.277 555 R C -0.384 175.911 176.300 -0.009 0.000 1.039 555 R CA -0.227 55.824 56.100 -0.082 0.000 1.065 555 R CB 0.058 30.287 30.300 -0.118 0.000 0.964 555 R HN 0.100 nan 8.270 nan 0.000 0.428 556 L N 5.555 126.773 121.223 -0.009 0.000 2.309 556 L HA 0.470 4.750 4.340 -0.099 0.000 0.282 556 L C -0.735 176.281 176.870 0.242 0.000 1.036 556 L CA -0.395 54.509 54.840 0.106 0.000 0.806 556 L CB 1.529 43.604 42.059 0.026 0.000 1.220 556 L HN 0.571 nan 8.230 nan 0.000 0.429 557 L N 3.659 125.063 121.223 0.302 0.000 2.422 557 L HA 0.749 5.029 4.340 -0.099 0.000 0.264 557 L C -0.822 176.223 176.870 0.291 0.000 0.984 557 L CA -0.494 54.561 54.840 0.358 0.000 0.819 557 L CB 2.328 44.559 42.059 0.286 0.000 1.330 557 L HN 0.137 nan 8.230 nan 0.000 0.410 558 V N 2.982 123.040 119.914 0.240 0.000 2.525 558 V HA 0.506 4.567 4.120 -0.099 0.000 0.299 558 V C -2.279 173.879 176.094 0.106 0.000 1.034 558 V CA -1.469 60.837 62.300 0.010 0.000 0.863 558 V CB 2.288 33.816 31.823 -0.491 0.000 0.999 558 V HN 0.566 nan 8.190 nan 0.000 0.423 559 P HA 0.381 nan 4.420 nan 0.000 0.275 559 P C -1.331 175.885 177.300 -0.140 0.000 1.227 559 P CA -0.150 62.885 63.100 -0.109 0.000 0.781 559 P CB 1.785 33.461 31.700 -0.040 0.000 0.906 560 L N 3.398 124.469 121.223 -0.253 0.000 2.341 560 L HA 0.629 4.910 4.340 -0.099 0.000 0.254 560 L C -0.315 176.550 176.870 -0.009 0.000 1.040 560 L CA -1.015 53.773 54.840 -0.087 0.000 0.837 560 L CB 1.193 43.233 42.059 -0.032 0.000 1.425 560 L HN 0.530 nan 8.230 nan 0.000 0.414 561 Y N -1.789 118.485 120.300 -0.044 0.000 2.609 561 Y HA 0.842 5.332 4.550 -0.099 0.000 0.336 561 Y C -0.841 175.107 175.900 0.079 0.000 1.129 561 Y CA -0.980 57.114 58.100 -0.009 0.000 1.040 561 Y CB 1.703 40.166 38.460 0.004 0.000 1.310 561 Y HN 0.609 nan 8.280 nan 0.000 0.460 562 S N 1.008 116.782 115.700 0.124 0.000 2.611 562 S HA 0.587 4.998 4.470 -0.099 0.000 0.268 562 S C -1.816 172.556 174.600 -0.379 0.000 1.156 562 S CA -1.203 56.880 58.200 -0.195 0.000 0.817 562 S CB 1.801 64.886 63.200 -0.191 0.000 1.122 562 S HN 0.856 nan 8.310 nan 0.000 0.466 563 K N 1.009 120.848 120.400 -0.935 0.000 2.354 563 K HA 0.818 5.078 4.320 -0.099 0.000 0.257 563 K C -0.445 175.916 176.600 -0.398 0.000 1.062 563 K CA 0.050 55.949 56.287 -0.646 0.000 0.971 563 K CB 0.475 32.438 32.500 -0.895 0.000 1.305 563 K HN 0.811 nan 8.250 nan 0.000 0.449 564 S N 1.340 116.919 115.700 -0.201 0.000 3.127 564 S HA 0.227 4.638 4.470 -0.099 0.000 0.314 564 S C -0.044 174.529 174.600 -0.045 0.000 1.238 564 S CA 0.054 58.187 58.200 -0.111 0.000 1.074 564 S CB -0.069 63.076 63.200 -0.090 0.000 1.417 564 S HN 0.467 nan 8.310 nan 0.000 0.597 565 S N 0.612 116.309 115.700 -0.004 0.000 2.522 565 S HA 0.555 4.965 4.470 -0.099 0.000 0.227 565 S C 0.518 175.131 174.600 0.020 0.000 0.986 565 S CA 0.432 58.639 58.200 0.012 0.000 0.929 565 S CB -0.273 62.943 63.200 0.027 0.000 0.769 565 S HN 1.118 nan 8.310 nan 0.000 0.529 566 A N 0.362 123.201 122.820 0.030 0.000 2.515 566 A HA 0.749 5.009 4.320 -0.099 0.000 0.296 566 A C 0.360 177.958 177.584 0.024 0.000 1.094 566 A CA -0.673 51.385 52.037 0.036 0.000 0.718 566 A CB 1.479 20.516 19.000 0.060 0.000 1.307 566 A HN 0.114 nan 8.150 nan 0.000 0.408 567 E N 0.134 120.346 120.200 0.020 0.000 2.101 567 E HA 0.202 4.493 4.350 -0.099 0.000 0.194 567 E C 0.133 176.759 176.600 0.043 0.000 0.950 567 E CA -0.185 56.237 56.400 0.036 0.000 0.917 567 E CB 0.045 29.758 29.700 0.021 0.000 0.963 567 E HN 0.597 nan 8.360 nan 0.000 0.476 568 L N 0.859 122.064 121.223 -0.030 0.000 2.426 568 L HA 0.444 4.724 4.340 -0.099 0.000 0.271 568 L C -0.027 176.728 176.870 -0.191 0.000 1.169 568 L CA 0.733 55.484 54.840 -0.149 0.000 0.836 568 L CB 1.213 43.138 42.059 -0.223 0.000 1.112 568 L HN 0.209 nan 8.230 nan 0.000 0.465 569 G N 2.810 111.391 108.800 -0.364 0.000 2.687 569 G HA2 0.686 4.586 3.960 -0.099 0.000 0.291 569 G HA3 0.686 4.586 3.960 -0.099 0.000 0.291 569 G C -1.874 172.640 174.900 -0.643 0.000 1.420 569 G CA -0.536 44.411 45.100 -0.255 0.000 0.796 569 G HN 0.454 nan 8.290 nan 0.000 0.485 570 F N -0.758 119.208 119.950 0.027 0.000 2.668 570 F HA 0.700 5.168 4.527 -0.099 0.000 0.309 570 F C 0.037 175.909 175.800 0.120 0.000 1.117 570 F CA -0.928 57.121 58.000 0.082 0.000 0.951 570 F CB 2.528 41.612 39.000 0.139 0.000 1.323 570 F HN 0.617 nan 8.300 nan 0.000 0.451 571 M N 2.248 122.058 119.600 0.349 0.000 2.263 571 M HA 0.742 5.163 4.480 -0.099 0.000 0.295 571 M C -2.017 174.593 176.300 0.516 0.000 1.028 571 M CA -0.699 54.763 55.300 0.269 0.000 0.921 571 M CB 2.328 35.056 32.600 0.214 0.000 1.601 571 M HN 0.620 nan 8.290 nan 0.000 0.440 572 Y N -0.136 120.387 120.300 0.372 0.000 2.570 572 Y HA 0.898 5.389 4.550 -0.099 0.000 0.345 572 Y C -1.207 174.633 175.900 -0.100 0.000 1.014 572 Y CA -1.213 57.018 58.100 0.217 0.000 1.063 572 Y CB 1.695 40.202 38.460 0.078 0.000 1.272 572 Y HN 0.839 nan 8.280 nan 0.000 0.477 573 S N 0.614 116.164 115.700 -0.250 0.000 2.571 573 S HA 0.383 4.793 4.470 -0.099 0.000 0.284 573 S C -0.988 173.441 174.600 -0.285 0.000 1.128 573 S CA -0.635 57.192 58.200 -0.622 0.000 0.970 573 S CB 1.073 63.320 63.200 -1.588 0.000 1.039 573 S HN 0.795 nan 8.310 nan 0.000 0.485 574 D N 2.025 122.308 120.400 -0.195 0.000 2.398 574 D HA 0.130 4.710 4.640 -0.099 0.000 0.210 574 D C -0.153 175.978 176.300 -0.280 0.000 1.094 574 D CA 0.286 54.178 54.000 -0.180 0.000 0.839 574 D CB 0.460 41.223 40.800 -0.061 0.000 0.963 574 D HN 0.737 nan 8.370 nan 0.000 0.506 575 D N -0.948 119.280 120.400 -0.286 0.000 3.008 575 D HA 0.045 4.625 4.640 -0.099 0.000 0.312 575 D C -0.372 175.854 176.300 -0.124 0.000 1.361 575 D CA -0.861 53.026 54.000 -0.189 0.000 0.858 575 D CB -0.979 39.776 40.800 -0.076 0.000 1.098 575 D HN -0.011 nan 8.370 nan 0.000 0.482 576 H N -0.204 118.820 119.070 -0.078 0.000 2.741 576 H HA -0.096 4.401 4.556 -0.099 0.000 0.305 576 H C 1.558 176.918 175.328 0.053 0.000 1.169 576 H CA 1.061 57.116 56.048 0.011 0.000 1.144 576 H CB -1.457 28.344 29.762 0.066 0.000 1.397 576 H HN 0.626 nan 8.280 nan 0.000 0.409 577 G N -1.058 107.622 108.800 -0.201 0.000 2.176 577 G HA2 -0.349 3.552 3.960 -0.099 0.000 0.253 577 G HA3 -0.349 3.552 3.960 -0.099 0.000 0.253 577 G C 0.971 175.930 174.900 0.099 0.000 0.979 577 G CA 0.470 45.469 45.100 -0.168 0.000 0.641 577 G HN 0.512 nan 8.290 nan 0.000 0.530 578 D N 0.654 121.067 120.400 0.022 0.000 2.144 578 D HA 0.025 4.606 4.640 -0.099 0.000 0.200 578 D C 1.042 177.406 176.300 0.105 0.000 0.978 578 D CA 1.065 55.132 54.000 0.111 0.000 0.833 578 D CB 0.073 40.917 40.800 0.073 0.000 0.961 578 D HN 0.544 nan 8.370 nan 0.000 0.470 579 N N -0.662 117.974 118.700 -0.107 0.000 2.242 579 N HA 0.227 4.908 4.740 -0.099 0.000 0.292 579 N C -1.307 174.007 175.510 -0.327 0.000 1.125 579 N CA -0.507 52.522 53.050 -0.036 0.000 0.783 579 N CB 1.827 40.311 38.487 -0.005 0.000 1.558 579 N HN -0.063 nan 8.380 nan 0.000 0.472 580 W N 0.157 121.521 121.300 0.105 0.000 2.736 580 W HA 0.438 5.039 4.660 -0.099 0.000 0.335 580 W C -0.156 176.374 176.519 0.017 0.000 1.059 580 W CA -0.395 57.002 57.345 0.086 0.000 1.226 580 W CB 1.659 31.276 29.460 0.262 0.000 1.416 580 W HN 0.129 nan 8.180 nan 0.000 0.505 581 T N 2.419 116.886 114.554 -0.145 0.000 2.807 581 T HA 0.237 4.528 4.350 -0.099 0.000 0.279 581 T C -1.471 172.930 174.700 -0.498 0.000 0.993 581 T CA -0.458 61.403 62.100 -0.398 0.000 0.970 581 T CB 0.741 69.129 68.868 -0.800 0.000 0.950 581 T HN 0.201 nan 8.240 nan 0.000 0.441 582 Y N 3.493 123.342 120.300 -0.752 0.000 2.304 582 Y HA 0.597 5.087 4.550 -0.099 0.000 0.328 582 Y C -0.904 174.838 175.900 -0.264 0.000 1.123 582 Y CA -0.978 56.662 58.100 -0.767 0.000 1.218 582 Y CB 0.689 38.441 38.460 -1.181 0.000 1.207 582 Y HN 0.366 nan 8.280 nan 0.000 0.495 583 V N 6.342 125.800 119.914 -0.760 0.000 2.577 583 V HA 0.262 4.322 4.120 -0.099 0.000 0.303 583 V C -0.833 174.858 176.094 -0.671 0.000 1.042 583 V CA -1.137 60.880 62.300 -0.472 0.000 0.872 583 V CB 1.813 33.705 31.823 0.115 0.000 0.998 583 V HN 0.735 nan 8.190 nan 0.000 0.423 584 E N 2.743 122.648 120.200 -0.492 0.000 2.194 584 E HA 0.443 4.733 4.350 -0.099 0.000 0.284 584 E C 0.531 177.133 176.600 0.004 0.000 1.035 584 E CA -0.081 56.173 56.400 -0.244 0.000 0.836 584 E CB 1.843 31.468 29.700 -0.124 0.000 1.070 584 E HN 0.806 nan 8.360 nan 0.000 0.401 585 A N 3.846 126.695 122.820 0.048 0.000 2.195 585 A HA 0.022 4.282 4.320 -0.099 0.000 0.210 585 A C 0.225 177.875 177.584 0.110 0.000 1.165 585 A CA 0.755 52.881 52.037 0.147 0.000 0.806 585 A CB -0.105 18.896 19.000 0.001 0.000 0.847 585 A HN 0.724 nan 8.150 nan 0.000 0.482 586 D N -2.931 117.500 120.400 0.052 0.000 2.838 586 D HA 0.249 4.830 4.640 -0.099 0.000 0.334 586 D C -0.560 175.757 176.300 0.029 0.000 1.315 586 D CA -0.217 53.809 54.000 0.043 0.000 0.917 586 D CB 0.017 40.831 40.800 0.024 0.000 1.435 586 D HN -0.052 nan 8.370 nan 0.000 0.517 587 N N -0.344 118.370 118.700 0.024 0.000 2.338 587 N HA 0.177 4.858 4.740 -0.099 0.000 0.251 587 N C -0.846 174.672 175.510 0.013 0.000 1.199 587 N CA -0.402 52.659 53.050 0.019 0.000 0.879 587 N CB -0.162 38.336 38.487 0.018 0.000 1.159 587 N HN 0.439 nan 8.380 nan 0.000 0.514 588 L N 0.833 122.062 121.223 0.011 0.000 2.331 588 L HA 0.297 4.578 4.340 -0.099 0.000 0.278 588 L C 1.252 178.123 176.870 0.002 0.000 1.106 588 L CA -0.219 54.625 54.840 0.006 0.000 0.824 588 L CB 1.207 43.269 42.059 0.005 0.000 1.142 588 L HN 0.232 nan 8.230 nan 0.000 0.443 589 T N -2.621 111.933 114.554 -0.001 0.000 3.054 589 T HA 0.067 4.357 4.350 -0.099 0.000 0.255 589 T C 1.511 176.204 174.700 -0.012 0.000 1.035 589 T CA 0.294 62.387 62.100 -0.012 0.000 0.941 589 T CB 0.457 69.321 68.868 -0.008 0.000 1.026 589 T HN 0.689 nan 8.240 nan 0.000 0.533 590 G N 1.390 110.193 108.800 0.004 0.000 2.534 590 G HA2 0.336 4.237 3.960 -0.099 0.000 0.217 590 G HA3 0.336 4.237 3.960 -0.099 0.000 0.217 590 G C 1.365 176.286 174.900 0.035 0.000 1.128 590 G CA 0.089 45.201 45.100 0.020 0.000 0.784 590 G HN 1.259 nan 8.290 nan 0.000 0.542 591 G N -0.579 108.234 108.800 0.021 0.000 2.221 591 G HA2 0.110 4.010 3.960 -0.099 0.000 0.265 591 G HA3 0.110 4.010 3.960 -0.099 0.000 0.265 591 G C 0.514 175.537 174.900 0.206 0.000 1.041 591 G CA 0.443 45.576 45.100 0.055 0.000 0.807 591 G HN 1.304 nan 8.290 nan 0.000 0.502 592 A N -0.513 122.388 122.820 0.135 0.000 2.346 592 A HA 0.668 4.929 4.320 -0.099 0.000 0.252 592 A C 1.100 178.740 177.584 0.093 0.000 1.089 592 A CA 0.867 52.971 52.037 0.112 0.000 0.797 592 A CB 0.335 19.357 19.000 0.036 0.000 1.047 592 A HN 0.933 nan 8.150 nan 0.000 0.494 593 T N 2.076 116.617 114.554 -0.021 0.000 3.842 593 T HA 0.349 4.640 4.350 -0.099 0.000 0.267 593 T C 0.630 174.975 174.700 -0.592 0.000 1.173 593 T CA 0.614 62.489 62.100 -0.375 0.000 1.142 593 T CB -0.498 68.275 68.868 -0.158 0.000 1.191 593 T HN 0.836 nan 8.240 nan 0.000 0.895 594 A N 3.203 125.641 122.820 -0.638 0.000 3.074 594 A HA 0.236 4.497 4.320 -0.099 0.000 0.251 594 A C 0.606 177.932 177.584 -0.430 0.000 1.695 594 A CA -0.569 51.234 52.037 -0.390 0.000 1.343 594 A CB -0.479 18.421 19.000 -0.166 0.000 1.078 594 A HN 0.701 nan 8.150 nan 0.000 0.644 595 E N 0.598 120.489 120.200 -0.514 0.000 2.414 595 E HA 0.424 4.714 4.350 -0.099 0.000 0.263 595 E C 0.294 176.801 176.600 -0.155 0.000 1.000 595 E CA 0.509 56.752 56.400 -0.262 0.000 0.914 595 E CB 0.756 30.318 29.700 -0.229 0.000 0.948 595 E HN 0.636 nan 8.360 nan 0.000 0.444 596 A N 3.013 125.786 122.820 -0.078 0.000 2.593 596 A HA 0.554 4.814 4.320 -0.099 0.000 0.290 596 A C -1.303 176.302 177.584 0.035 0.000 1.126 596 A CA -0.850 51.162 52.037 -0.041 0.000 0.695 596 A CB 1.886 20.825 19.000 -0.101 0.000 1.290 596 A HN 0.436 nan 8.150 nan 0.000 0.414 597 Q N -0.175 119.688 119.800 0.104 0.000 2.421 597 Q HA 0.618 4.899 4.340 -0.099 0.000 0.280 597 Q C -1.471 174.666 176.000 0.228 0.000 1.085 597 Q CA -0.344 55.558 55.803 0.164 0.000 0.807 597 Q CB 2.280 31.114 28.738 0.161 0.000 1.405 597 Q HN 0.684 nan 8.270 nan 0.000 0.419 598 I N 1.177 121.893 120.570 0.244 0.000 2.474 598 I HA 0.599 4.710 4.170 -0.099 0.000 0.294 598 I C 0.002 176.269 176.117 0.249 0.000 1.005 598 I CA -1.195 60.263 61.300 0.264 0.000 1.113 598 I CB 1.884 40.048 38.000 0.273 0.000 1.289 598 I HN 0.269 nan 8.210 nan 0.000 0.436 599 V N 1.363 121.431 119.914 0.258 0.000 2.914 599 V HA 0.601 4.661 4.120 -0.099 0.000 0.314 599 V C -0.652 175.531 176.094 0.150 0.000 1.084 599 V CA -0.737 61.690 62.300 0.212 0.000 0.963 599 V CB 1.936 33.906 31.823 0.245 0.000 1.025 599 V HN 0.853 nan 8.190 nan 0.000 0.432 600 E N 2.972 123.228 120.200 0.094 0.000 2.191 600 E HA 0.494 4.784 4.350 -0.099 0.000 0.278 600 E C -0.765 175.812 176.600 -0.039 0.000 0.972 600 E CA -0.955 55.464 56.400 0.032 0.000 0.804 600 E CB 1.449 31.168 29.700 0.030 0.000 1.110 600 E HN 0.699 nan 8.360 nan 0.000 0.394 601 M N 3.922 123.455 119.600 -0.112 0.000 2.283 601 M HA 0.212 4.633 4.480 -0.099 0.000 0.314 601 M C -1.749 174.397 176.300 -0.256 0.000 1.153 601 M CA -2.399 52.708 55.300 -0.322 0.000 1.084 601 M CB -0.038 32.261 32.600 -0.502 0.000 1.468 601 M HN 0.358 nan 8.290 nan 0.000 0.474 602 P HA -0.199 nan 4.420 nan 0.000 0.217 602 P C 0.435 177.731 177.300 -0.007 0.000 1.151 602 P CA 1.534 64.564 63.100 -0.117 0.000 0.849 602 P CB -0.001 31.657 31.700 -0.069 0.000 0.787 603 D N -2.646 117.792 120.400 0.062 0.000 2.340 603 D HA 0.101 4.682 4.640 -0.099 0.000 0.220 603 D C 1.384 177.702 176.300 0.030 0.000 1.039 603 D CA 0.647 54.699 54.000 0.087 0.000 0.866 603 D CB -0.734 40.162 40.800 0.161 0.000 0.913 603 D HN 0.254 nan 8.370 nan 0.000 0.523 604 G N 0.139 108.938 108.800 -0.002 0.000 2.176 604 G HA2 -0.268 3.632 3.960 -0.099 0.000 0.232 604 G HA3 -0.268 3.632 3.960 -0.099 0.000 0.232 604 G C 0.444 175.318 174.900 -0.043 0.000 0.986 604 G CA 0.282 45.368 45.100 -0.023 0.000 0.643 604 G HN 0.773 nan 8.290 nan 0.000 0.522 605 S N -0.156 115.531 115.700 -0.021 0.000 2.608 605 S HA 0.762 5.172 4.470 -0.099 0.000 0.261 605 S C 0.176 174.741 174.600 -0.057 0.000 1.314 605 S CA -0.248 57.922 58.200 -0.051 0.000 0.992 605 S CB 1.636 64.850 63.200 0.024 0.000 0.935 605 S HN 0.816 nan 8.310 nan 0.000 0.564 606 L N 0.376 121.544 121.223 -0.092 0.000 2.370 606 L HA 0.613 4.893 4.340 -0.099 0.000 0.266 606 L C -0.228 176.697 176.870 0.091 0.000 1.002 606 L CA -0.761 54.079 54.840 0.000 0.000 0.818 606 L CB 2.043 44.108 42.059 0.009 0.000 1.325 606 L HN 0.657 nan 8.230 nan 0.000 0.418 607 K N 1.158 121.653 120.400 0.159 0.000 2.397 607 K HA 0.594 4.854 4.320 -0.099 0.000 0.253 607 K C -1.219 175.448 176.600 0.112 0.000 0.932 607 K CA -0.613 55.744 56.287 0.116 0.000 0.795 607 K CB 2.499 35.027 32.500 0.046 0.000 1.159 607 K HN 0.487 nan 8.250 nan 0.000 0.424 608 T N 2.401 116.969 114.554 0.023 0.000 2.807 608 T HA 0.387 4.677 4.350 -0.099 0.000 0.279 608 T C -1.120 173.437 174.700 -0.240 0.000 0.993 608 T CA -0.499 61.596 62.100 -0.008 0.000 0.970 608 T CB 0.334 69.172 68.868 -0.050 0.000 0.950 608 T HN 0.256 nan 8.240 nan 0.000 0.441 609 Y N 3.395 123.741 120.300 0.078 0.000 2.341 609 Y HA 0.684 5.175 4.550 -0.098 0.000 0.337 609 Y C 0.167 176.048 175.900 -0.031 0.000 1.014 609 Y CA -1.166 56.950 58.100 0.025 0.000 1.111 609 Y CB 1.090 39.570 38.460 0.033 0.000 1.194 609 Y HN 0.518 nan 8.280 nan 0.000 0.462 610 L N 0.825 122.069 121.223 0.036 0.000 2.376 610 L HA 0.808 5.089 4.340 -0.099 0.000 0.258 610 L C -0.607 176.211 176.870 -0.087 0.000 1.013 610 L CA -1.599 53.211 54.840 -0.050 0.000 0.822 610 L CB 2.093 44.090 42.059 -0.103 0.000 1.388 610 L HN 0.564 nan 8.230 nan 0.000 0.413 611 R N 0.602 121.020 120.500 -0.136 0.000 2.582 611 R HA 0.744 5.024 4.340 -0.099 0.000 0.271 611 R C -0.348 175.862 176.300 -0.151 0.000 1.078 611 R CA 0.569 56.573 56.100 -0.160 0.000 1.127 611 R CB 1.243 31.423 30.300 -0.199 0.000 1.038 611 R HN 0.970 nan 8.270 nan 0.000 0.500 612 T N -1.055 113.416 114.554 -0.139 0.000 2.804 612 T HA 0.478 4.768 4.350 -0.099 0.000 0.290 612 T C 0.634 175.272 174.700 -0.104 0.000 1.099 612 T CA -0.613 61.421 62.100 -0.110 0.000 1.011 612 T CB 1.528 70.342 68.868 -0.090 0.000 1.291 612 T HN 0.561 nan 8.240 nan 0.000 0.523 613 G N 0.132 108.892 108.800 -0.067 0.000 3.284 613 G HA2 0.427 4.328 3.960 -0.099 0.000 0.236 613 G HA3 0.427 4.328 3.960 -0.099 0.000 0.236 613 G C 0.362 175.230 174.900 -0.053 0.000 1.158 613 G CA -0.286 44.788 45.100 -0.044 0.000 0.774 613 G HN 0.677 nan 8.290 nan 0.000 0.545 614 S N 0.329 115.985 115.700 -0.074 0.000 2.590 614 S HA 0.268 4.679 4.470 -0.099 0.000 0.282 614 S C 0.439 174.971 174.600 -0.113 0.000 1.136 614 S CA -0.659 57.497 58.200 -0.073 0.000 1.030 614 S CB 0.489 63.651 63.200 -0.062 0.000 1.195 614 S HN 0.165 nan 8.310 nan 0.000 0.506 615 N N 1.118 119.753 118.700 -0.108 0.000 2.453 615 N HA 0.303 4.984 4.740 -0.099 0.000 0.270 615 N C -0.582 174.843 175.510 -0.141 0.000 1.195 615 N CA -0.106 52.862 53.050 -0.138 0.000 0.902 615 N CB -0.297 38.122 38.487 -0.113 0.000 1.186 615 N HN 0.595 nan 8.380 nan 0.000 0.510 616 C N -2.098 117.118 119.300 -0.140 0.000 3.285 616 C HA 0.609 5.009 4.460 -0.099 0.000 0.325 616 C C -0.361 174.544 174.990 -0.142 0.000 1.304 616 C CA -1.386 57.547 59.018 -0.142 0.000 1.319 616 C CB 0.414 28.088 27.740 -0.110 0.000 1.640 616 C HN 0.142 nan 8.230 nan 0.000 0.477 617 I N 2.537 123.015 120.570 -0.154 0.000 2.365 617 I HA 0.571 4.682 4.170 -0.099 0.000 0.291 617 I C 0.877 176.953 176.117 -0.068 0.000 1.004 617 I CA 0.159 61.383 61.300 -0.127 0.000 1.311 617 I CB 1.459 39.355 38.000 -0.173 0.000 1.401 617 I HN 1.018 nan 8.210 nan 0.000 0.491 618 A N 6.232 129.026 122.820 -0.043 0.000 2.294 618 A HA 0.631 4.891 4.320 -0.099 0.000 0.330 618 A C -0.553 177.014 177.584 -0.028 0.000 1.133 618 A CA -0.450 51.569 52.037 -0.030 0.000 0.836 618 A CB 1.383 20.355 19.000 -0.047 0.000 1.190 618 A HN 0.704 nan 8.150 nan 0.000 0.492 619 E N 0.385 120.547 120.200 -0.063 0.000 2.272 619 E HA 0.552 4.842 4.350 -0.099 0.000 0.269 619 E C -1.666 174.871 176.600 -0.105 0.000 0.877 619 E CA -0.495 55.778 56.400 -0.212 0.000 0.755 619 E CB 1.984 31.553 29.700 -0.218 0.000 1.192 619 E HN 0.769 nan 8.360 nan 0.000 0.422 620 V N 0.367 120.230 119.914 -0.085 0.000 2.876 620 V HA 0.735 4.796 4.120 -0.099 0.000 0.312 620 V C -0.445 175.793 176.094 0.240 0.000 1.085 620 V CA -0.609 61.754 62.300 0.105 0.000 0.945 620 V CB 1.769 33.691 31.823 0.166 0.000 1.017 620 V HN 0.589 nan 8.190 nan 0.000 0.428 621 T N 2.554 117.258 114.554 0.249 0.000 2.887 621 T HA 0.692 4.983 4.350 -0.099 0.000 0.288 621 T C -0.452 174.199 174.700 -0.082 0.000 1.021 621 T CA -0.434 61.749 62.100 0.137 0.000 1.000 621 T CB 1.655 70.549 68.868 0.043 0.000 1.034 621 T HN 1.033 nan 8.240 nan 0.000 0.467 622 S N 1.078 116.506 115.700 -0.452 0.000 2.521 622 S HA 0.611 5.022 4.470 -0.099 0.000 0.295 622 S C -0.163 174.147 174.600 -0.482 0.000 1.098 622 S CA -0.577 57.103 58.200 -0.865 0.000 0.999 622 S CB 0.866 62.898 63.200 -1.947 0.000 1.034 622 S HN 0.572 nan 8.310 nan 0.000 0.483 623 I N 3.074 123.413 120.570 -0.386 0.000 4.154 623 I HA 0.324 4.434 4.170 -0.099 0.000 0.334 623 I C -0.211 175.757 176.117 -0.249 0.000 1.371 623 I CA 0.081 61.235 61.300 -0.243 0.000 1.110 623 I CB 0.646 38.547 38.000 -0.165 0.000 1.085 623 I HN 0.688 nan 8.210 nan 0.000 0.398 624 D N -0.827 119.369 120.400 -0.339 0.000 2.891 624 D HA 0.315 4.895 4.640 -0.099 0.000 0.332 624 D C 1.078 177.161 176.300 -0.362 0.000 1.369 624 D CA -0.136 53.685 54.000 -0.298 0.000 0.827 624 D CB -0.251 40.393 40.800 -0.261 0.000 1.141 624 D HN 0.088 nan 8.370 nan 0.000 0.464 625 G N -0.032 108.548 108.800 -0.366 0.000 2.249 625 G HA2 -0.024 3.877 3.960 -0.099 0.000 0.273 625 G HA3 -0.024 3.877 3.960 -0.099 0.000 0.273 625 G C 1.175 175.791 174.900 -0.474 0.000 1.036 625 G CA 0.453 45.328 45.100 -0.375 0.000 0.824 625 G HN 1.522 nan 8.290 nan 0.000 0.504 626 G N -1.450 106.967 108.800 -0.639 0.000 2.157 626 G HA2 -0.266 3.634 3.960 -0.099 0.000 0.248 626 G HA3 -0.266 3.634 3.960 -0.099 0.000 0.248 626 G C 0.793 175.457 174.900 -0.394 0.000 0.979 626 G CA 1.190 45.913 45.100 -0.627 0.000 0.650 626 G HN 0.771 nan 8.290 nan 0.000 0.529 627 E N -0.158 119.780 120.200 -0.437 0.000 2.112 627 E HA 0.143 4.433 4.350 -0.099 0.000 0.190 627 E C 1.383 177.889 176.600 -0.156 0.000 0.979 627 E CA 1.309 57.587 56.400 -0.204 0.000 0.814 627 E CB 0.143 29.722 29.700 -0.202 0.000 0.762 627 E HN 0.718 nan 8.360 nan 0.000 0.460 628 T N -2.191 112.146 114.554 -0.362 0.000 2.900 628 T HA 0.520 4.810 4.350 -0.099 0.000 0.295 628 T C -1.369 173.031 174.700 -0.499 0.000 1.044 628 T CA -0.919 61.045 62.100 -0.227 0.000 0.995 628 T CB 1.207 69.985 68.868 -0.149 0.000 1.072 628 T HN 0.049 nan 8.240 nan 0.000 0.473 629 W N 1.291 122.562 121.300 -0.049 0.000 2.936 629 W HA 0.614 5.215 4.660 -0.099 0.000 0.338 629 W C 0.512 177.018 176.519 -0.022 0.000 1.121 629 W CA -0.741 56.581 57.345 -0.038 0.000 1.209 629 W CB 2.055 31.525 29.460 0.017 0.000 1.420 629 W HN 1.002 nan 8.180 nan 0.000 0.516 630 S N 0.435 116.252 115.700 0.194 0.000 2.608 630 S HA 0.260 4.671 4.470 -0.099 0.000 0.261 630 S C -0.123 174.551 174.600 0.124 0.000 1.314 630 S CA -0.750 57.515 58.200 0.109 0.000 0.992 630 S CB 0.671 63.910 63.200 0.066 0.000 0.935 630 S HN 0.394 nan 8.310 nan 0.000 0.564 631 D N 0.797 121.240 120.400 0.072 0.000 2.362 631 D HA 0.173 4.753 4.640 -0.099 0.000 0.242 631 D C 0.240 176.567 176.300 0.044 0.000 1.132 631 D CA 0.055 54.088 54.000 0.054 0.000 0.907 631 D CB 0.312 41.132 40.800 0.033 0.000 1.195 631 D HN 0.448 nan 8.370 nan 0.000 0.429 632 R N 0.260 120.776 120.500 0.027 0.000 2.585 632 R HA 0.246 4.527 4.340 -0.099 0.000 0.275 632 R C -0.499 175.804 176.300 0.005 0.000 1.018 632 R CA -0.004 56.101 56.100 0.008 0.000 1.072 632 R CB 0.418 30.712 30.300 -0.010 0.000 0.953 632 R HN 0.124 nan 8.270 nan 0.000 0.419 633 V N 5.905 125.820 119.914 0.002 0.000 2.531 633 V HA 0.269 4.330 4.120 -0.099 0.000 0.301 633 V C -2.187 173.909 176.094 0.004 0.000 1.034 633 V CA -2.350 59.955 62.300 0.007 0.000 0.865 633 V CB 2.172 34.007 31.823 0.021 0.000 0.995 633 V HN 0.651 nan 8.190 nan 0.000 0.424 634 P HA 0.096 nan 4.420 nan 0.000 0.268 634 P C -0.671 176.626 177.300 -0.004 0.000 1.204 634 P CA -0.278 62.810 63.100 -0.020 0.000 0.768 634 P CB 0.432 32.113 31.700 -0.032 0.000 0.842 635 L N 4.542 125.748 121.223 -0.028 0.000 2.363 635 L HA 0.133 4.413 4.340 -0.099 0.000 0.286 635 L C -0.022 176.773 176.870 -0.124 0.000 1.106 635 L CA 0.090 54.908 54.840 -0.037 0.000 0.859 635 L CB -0.742 41.252 42.059 -0.109 0.000 1.223 635 L HN 0.283 nan 8.230 nan 0.000 0.446 636 Q N 4.287 124.055 119.800 -0.052 0.000 2.300 636 Q HA 0.316 4.596 4.340 -0.099 0.000 0.280 636 Q C 1.181 177.104 176.000 -0.127 0.000 1.033 636 Q CA 0.851 56.615 55.803 -0.066 0.000 0.903 636 Q CB 0.710 29.446 28.738 -0.004 0.000 1.195 636 Q HN 0.994 nan 8.270 nan 0.000 0.386 637 G N 2.771 111.484 108.800 -0.145 0.000 2.195 637 G HA2 -0.243 3.658 3.960 -0.099 0.000 0.246 637 G HA3 -0.243 3.658 3.960 -0.099 0.000 0.246 637 G C 0.194 174.902 174.900 -0.319 0.000 0.984 637 G CA -0.226 44.776 45.100 -0.164 0.000 0.633 637 G HN 0.542 nan 8.290 nan 0.000 0.525 638 I N 2.870 123.150 120.570 -0.484 0.000 2.371 638 I HA 0.326 4.437 4.170 -0.099 0.000 0.282 638 I C 0.431 176.342 176.117 -0.344 0.000 1.031 638 I CA -0.609 60.309 61.300 -0.637 0.000 1.180 638 I CB 1.404 38.734 38.000 -1.118 0.000 1.336 638 I HN 0.089 nan 8.210 nan 0.000 0.467 639 S N 3.939 119.526 115.700 -0.188 0.000 2.579 639 S HA 0.418 4.829 4.470 -0.099 0.000 0.275 639 S C 0.199 174.703 174.600 -0.160 0.000 1.345 639 S CA -0.253 57.862 58.200 -0.142 0.000 1.031 639 S CB 1.686 64.839 63.200 -0.079 0.000 0.892 639 S HN 0.745 nan 8.310 nan 0.000 0.529 640 T N -0.042 114.406 114.554 -0.176 0.000 2.665 640 T HA 0.556 4.846 4.350 -0.099 0.000 0.303 640 T C -0.644 173.893 174.700 -0.272 0.000 1.334 640 T CA -0.421 61.549 62.100 -0.218 0.000 1.011 640 T CB 0.748 69.474 68.868 -0.237 0.000 1.573 640 T HN 0.796 nan 8.240 nan 0.000 0.492 641 T N -0.108 114.197 114.554 -0.416 0.000 2.862 641 T HA 0.453 4.743 4.350 -0.099 0.000 0.276 641 T C 1.685 176.041 174.700 -0.573 0.000 0.974 641 T CA 0.237 61.967 62.100 -0.617 0.000 0.966 641 T CB 0.897 69.023 68.868 -1.238 0.000 1.072 641 T HN 0.768 nan 8.240 nan 0.000 0.538 642 S N 0.493 115.880 115.700 -0.522 0.000 2.368 642 S HA -0.164 4.247 4.470 -0.099 0.000 0.224 642 S C 1.948 176.386 174.600 -0.270 0.000 1.029 642 S CA 1.083 59.118 58.200 -0.274 0.000 0.988 642 S CB -1.205 61.939 63.200 -0.093 0.000 0.838 642 S HN 0.904 nan 8.310 nan 0.000 0.462 643 Y N 1.711 121.846 120.300 -0.276 0.000 2.395 643 Y HA 0.480 4.970 4.550 -0.100 0.000 0.293 643 Y C 1.391 177.071 175.900 -0.366 0.000 1.123 643 Y CA -0.709 57.173 58.100 -0.363 0.000 1.227 643 Y CB -1.271 36.747 38.460 -0.736 0.000 1.012 643 Y HN 0.516 nan 8.280 nan 0.000 0.552 644 G N 0.046 108.479 108.800 -0.611 0.000 2.795 644 G HA2 0.050 3.951 3.960 -0.099 0.000 0.664 644 G HA3 0.050 3.951 3.960 -0.099 0.000 0.664 644 G C -0.709 174.039 174.900 -0.253 0.000 1.381 644 G CA -0.336 44.531 45.100 -0.388 0.000 0.853 644 G HN 0.514 nan 8.290 nan 0.000 0.545 645 T N 0.558 114.994 114.554 -0.196 0.000 2.894 645 T HA 0.524 4.814 4.350 -0.099 0.000 0.309 645 T C -0.074 174.459 174.700 -0.278 0.000 1.208 645 T CA -0.360 61.657 62.100 -0.138 0.000 1.016 645 T CB 1.891 70.735 68.868 -0.039 0.000 1.192 645 T HN 0.905 nan 8.240 nan 0.000 0.491 646 Q N 1.982 121.420 119.800 -0.603 0.000 2.386 646 Q HA 0.285 4.565 4.340 -0.099 0.000 0.282 646 Q C -1.025 174.777 176.000 -0.330 0.000 1.050 646 Q CA 0.066 55.479 55.803 -0.650 0.000 0.918 646 Q CB 0.324 28.245 28.738 -1.362 0.000 1.266 646 Q HN 0.621 nan 8.270 nan 0.000 0.423 647 L N -0.280 120.836 121.223 -0.179 0.000 2.303 647 L HA 0.764 5.045 4.340 -0.099 0.000 0.256 647 L C -0.723 176.153 176.870 0.010 0.000 1.034 647 L CA -0.841 53.963 54.840 -0.060 0.000 0.832 647 L CB 1.910 43.925 42.059 -0.072 0.000 1.403 647 L HN 0.441 nan 8.230 nan 0.000 0.419 648 S N 0.311 116.050 115.700 0.064 0.000 2.561 648 S HA 0.838 5.249 4.470 -0.099 0.000 0.303 648 S C -1.462 173.204 174.600 0.110 0.000 1.110 648 S CA -0.462 57.805 58.200 0.112 0.000 1.034 648 S CB 1.536 64.829 63.200 0.156 0.000 1.010 648 S HN 1.026 nan 8.310 nan 0.000 0.482 649 V N 7.299 127.295 119.914 0.137 0.000 2.686 649 V HA 0.792 4.853 4.120 -0.099 0.000 0.306 649 V C -1.002 175.205 176.094 0.189 0.000 1.065 649 V CA -0.742 61.646 62.300 0.146 0.000 0.894 649 V CB 1.487 33.376 31.823 0.110 0.000 1.004 649 V HN 0.925 nan 8.190 nan 0.000 0.424 650 I N 2.716 123.402 120.570 0.193 0.000 3.074 650 I HA 0.675 4.786 4.170 -0.099 0.000 0.310 650 I C -0.604 175.629 176.117 0.193 0.000 1.153 650 I CA -1.041 60.378 61.300 0.198 0.000 0.993 650 I CB 2.483 40.607 38.000 0.207 0.000 1.237 650 I HN 0.511 nan 8.210 nan 0.000 0.443 651 N N 1.461 120.268 118.700 0.177 0.000 2.524 651 N HA 0.378 5.058 4.740 -0.099 0.000 0.283 651 N C -1.639 173.991 175.510 0.200 0.000 1.142 651 N CA -0.195 52.949 53.050 0.157 0.000 0.984 651 N CB 0.765 39.319 38.487 0.111 0.000 1.155 651 N HN 0.561 nan 8.380 nan 0.000 0.467 652 Y N 0.396 120.730 120.300 0.056 0.000 2.393 652 Y HA 0.239 4.730 4.550 -0.099 0.000 0.341 652 Y C 1.215 177.138 175.900 0.039 0.000 0.988 652 Y CA -0.795 57.337 58.100 0.052 0.000 1.078 652 Y CB 1.283 39.769 38.460 0.043 0.000 1.203 652 Y HN 0.685 nan 8.280 nan 0.000 0.453 653 S N 2.458 117.871 115.700 -0.479 0.000 2.453 653 S HA 0.037 4.448 4.470 -0.099 0.000 0.231 653 S C 0.205 174.691 174.600 -0.191 0.000 1.005 653 S CA 0.508 58.544 58.200 -0.275 0.000 0.949 653 S CB -0.046 63.002 63.200 -0.253 0.000 0.774 653 S HN 0.655 nan 8.310 nan 0.000 0.510 654 Q N 1.843 121.503 119.800 -0.233 0.000 2.301 654 Q HA 0.549 4.829 4.340 -0.099 0.000 0.267 654 Q C -2.789 173.322 176.000 0.186 0.000 1.035 654 Q CA -2.538 53.273 55.803 0.014 0.000 0.856 654 Q CB 1.428 30.192 28.738 0.044 0.000 1.337 654 Q HN 0.239 nan 8.270 nan 0.000 0.450 655 P HA 0.295 nan 4.420 nan 0.000 0.274 655 P C -0.540 176.832 177.300 0.120 0.000 1.231 655 P CA -0.081 63.087 63.100 0.112 0.000 0.790 655 P CB 0.916 32.655 31.700 0.065 0.000 0.951 656 I N 1.599 122.221 120.570 0.087 0.000 2.418 656 I HA 0.144 4.254 4.170 -0.099 0.000 0.287 656 I C -0.030 176.125 176.117 0.063 0.000 1.008 656 I CA -0.431 60.897 61.300 0.048 0.000 1.104 656 I CB 1.264 39.261 38.000 -0.004 0.000 1.264 656 I HN 0.343 nan 8.210 nan 0.000 0.438 657 D N 4.908 125.343 120.400 0.058 0.000 2.945 657 D HA -0.184 4.396 4.640 -0.099 0.000 0.225 657 D C 1.101 177.432 176.300 0.053 0.000 1.158 657 D CA 1.679 55.721 54.000 0.070 0.000 0.805 657 D CB -1.112 39.756 40.800 0.113 0.000 1.098 657 D HN 1.142 nan 8.370 nan 0.000 0.426 658 G N -0.800 108.028 108.800 0.047 0.000 2.162 658 G HA2 -0.371 3.529 3.960 -0.099 0.000 0.260 658 G HA3 -0.371 3.529 3.960 -0.099 0.000 0.260 658 G C 0.268 175.191 174.900 0.039 0.000 0.976 658 G CA 0.983 46.107 45.100 0.040 0.000 0.655 658 G HN 0.519 nan 8.290 nan 0.000 0.533 659 K N 0.220 120.645 120.400 0.042 0.000 2.328 659 K HA 0.543 4.804 4.320 -0.099 0.000 0.246 659 K C -2.862 173.758 176.600 0.033 0.000 0.955 659 K CA -2.362 53.944 56.287 0.032 0.000 0.817 659 K CB 2.169 34.681 32.500 0.021 0.000 1.208 659 K HN -0.093 nan 8.250 nan 0.000 0.432 660 P HA 0.025 nan 4.420 nan 0.000 0.268 660 P C -1.379 175.924 177.300 0.006 0.000 1.205 660 P CA 0.052 63.159 63.100 0.012 0.000 0.771 660 P CB 0.755 32.437 31.700 -0.030 0.000 0.858 661 A N 3.079 125.926 122.820 0.045 0.000 2.498 661 A HA 0.828 5.088 4.320 -0.099 0.000 0.298 661 A C -0.653 176.964 177.584 0.055 0.000 1.075 661 A CA -0.732 51.320 52.037 0.024 0.000 0.714 661 A CB 1.009 20.035 19.000 0.043 0.000 1.299 661 A HN 0.570 nan 8.150 nan 0.000 0.407 662 I N -1.215 119.351 120.570 -0.007 0.000 2.785 662 I HA 0.808 4.918 4.170 -0.099 0.000 0.302 662 I C -1.172 175.011 176.117 0.111 0.000 1.069 662 I CA -1.060 60.276 61.300 0.060 0.000 1.045 662 I CB 2.042 40.066 38.000 0.040 0.000 1.236 662 I HN 0.481 nan 8.210 nan 0.000 0.429 663 I N 4.863 125.545 120.570 0.185 0.000 2.498 663 I HA 0.509 4.619 4.170 -0.099 0.000 0.290 663 I C -1.015 175.247 176.117 0.241 0.000 1.032 663 I CA -0.674 60.757 61.300 0.220 0.000 1.073 663 I CB 2.362 40.442 38.000 0.134 0.000 1.251 663 I HN 0.520 nan 8.210 nan 0.000 0.426 664 L N 4.906 126.296 121.223 0.278 0.000 2.362 664 L HA 0.679 4.959 4.340 -0.099 0.000 0.271 664 L C -0.593 176.369 176.870 0.154 0.000 1.002 664 L CA -0.100 54.816 54.840 0.127 0.000 0.818 664 L CB 2.064 44.031 42.059 -0.154 0.000 1.298 664 L HN 0.666 nan 8.230 nan 0.000 0.420 665 S N 2.945 118.715 115.700 0.118 0.000 2.521 665 S HA 0.846 5.257 4.470 -0.099 0.000 0.295 665 S C -1.108 173.577 174.600 0.142 0.000 1.098 665 S CA -0.263 58.034 58.200 0.162 0.000 0.999 665 S CB 1.573 64.904 63.200 0.218 0.000 1.034 665 S HN 0.808 nan 8.310 nan 0.000 0.483 666 S N 3.802 119.575 115.700 0.120 0.000 2.608 666 S HA 0.538 4.949 4.470 -0.099 0.000 0.285 666 S C -3.204 171.373 174.600 -0.038 0.000 1.108 666 S CA -0.921 57.330 58.200 0.085 0.000 0.858 666 S CB 1.655 64.832 63.200 -0.039 0.000 1.077 666 S HN 0.598 nan 8.310 nan 0.000 0.450 667 P HA 0.278 nan 4.420 nan 0.000 0.271 667 P C -0.368 176.890 177.300 -0.071 0.000 1.216 667 P CA 0.046 63.118 63.100 -0.048 0.000 0.776 667 P CB 0.413 32.177 31.700 0.107 0.000 0.881 668 N N 0.982 119.635 118.700 -0.079 0.000 2.205 668 N HA 0.126 4.807 4.740 -0.099 0.000 0.201 668 N C 0.298 175.780 175.510 -0.048 0.000 1.128 668 N CA -0.283 52.747 53.050 -0.033 0.000 0.867 668 N CB 0.108 38.613 38.487 0.030 0.000 0.996 668 N HN 0.429 nan 8.380 nan 0.000 0.503 669 A N -0.585 122.203 122.820 -0.053 0.000 2.386 669 A HA 0.277 4.537 4.320 -0.099 0.000 0.248 669 A C 1.250 178.782 177.584 -0.087 0.000 1.082 669 A CA 0.231 52.239 52.037 -0.049 0.000 0.789 669 A CB 0.057 19.046 19.000 -0.019 0.000 1.025 669 A HN 0.442 nan 8.150 nan 0.000 0.490 670 T N -1.008 113.499 114.554 -0.077 0.000 3.129 670 T HA 0.177 4.467 4.350 -0.099 0.000 0.251 670 T C 0.332 174.961 174.700 -0.118 0.000 1.117 670 T CA 0.201 62.235 62.100 -0.111 0.000 1.034 670 T CB -0.298 68.522 68.868 -0.080 0.000 0.968 670 T HN 0.503 nan 8.240 nan 0.000 0.526 671 N N 0.471 119.131 118.700 -0.066 0.000 2.537 671 N HA 0.493 5.173 4.740 -0.099 0.000 0.281 671 N C -0.419 175.133 175.510 0.070 0.000 1.097 671 N CA 0.499 53.551 53.050 0.004 0.000 0.964 671 N CB 1.947 40.465 38.487 0.052 0.000 1.588 671 N HN 0.566 nan 8.380 nan 0.000 0.511 672 G N 1.676 110.578 108.800 0.170 0.000 2.721 672 G HA2 -0.177 3.724 3.960 -0.099 0.000 0.686 672 G HA3 -0.177 3.724 3.960 -0.099 0.000 0.686 672 G C -0.898 174.079 174.900 0.129 0.000 1.236 672 G CA -0.929 44.293 45.100 0.204 0.000 0.786 672 G HN 0.601 nan 8.290 nan 0.000 0.616 673 R N 1.726 122.326 120.500 0.167 0.000 2.408 673 R HA 0.394 4.674 4.340 -0.099 0.000 0.308 673 R C 0.809 177.198 176.300 0.149 0.000 1.210 673 R CA -0.046 56.137 56.100 0.137 0.000 1.115 673 R CB 0.494 30.892 30.300 0.164 0.000 1.127 673 R HN 0.737 nan 8.270 nan 0.000 0.523 674 K N 0.285 120.756 120.400 0.119 0.000 2.507 674 K HA 0.174 4.434 4.320 -0.099 0.000 0.284 674 K C -0.646 175.981 176.600 0.044 0.000 1.038 674 K CA -0.938 55.426 56.287 0.127 0.000 0.903 674 K CB 1.065 33.631 32.500 0.109 0.000 1.531 674 K HN 0.402 nan 8.250 nan 0.000 0.430 675 N N -0.097 118.616 118.700 0.021 0.000 2.681 675 N HA -0.153 4.528 4.740 -0.099 0.000 0.259 675 N C -0.303 175.060 175.510 -0.246 0.000 1.066 675 N CA 0.380 53.381 53.050 -0.082 0.000 0.717 675 N CB -0.838 37.609 38.487 -0.067 0.000 0.885 675 N HN 0.794 nan 8.380 nan 0.000 0.547 676 G N 1.583 110.092 108.800 -0.485 0.000 2.441 676 G HA2 0.335 4.235 3.960 -0.099 0.000 0.243 676 G HA3 0.335 4.235 3.960 -0.099 0.000 0.243 676 G C -0.360 174.047 174.900 -0.822 0.000 1.281 676 G CA 0.035 44.321 45.100 -1.357 0.000 0.854 676 G HN 0.377 nan 8.290 nan 0.000 0.560 677 K N 0.962 121.001 120.400 -0.602 0.000 2.469 677 K HA 0.452 4.713 4.320 -0.099 0.000 0.254 677 K C -0.965 175.512 176.600 -0.205 0.000 0.939 677 K CA -0.753 55.304 56.287 -0.383 0.000 0.812 677 K CB 2.760 35.015 32.500 -0.408 0.000 1.301 677 K HN 0.354 nan 8.250 nan 0.000 0.433 678 I N 1.852 122.297 120.570 -0.208 0.000 2.362 678 I HA 0.351 4.462 4.170 -0.099 0.000 0.289 678 I C -1.107 174.960 176.117 -0.083 0.000 0.994 678 I CA -0.654 60.611 61.300 -0.058 0.000 1.158 678 I CB 0.787 38.707 38.000 -0.134 0.000 1.315 678 I HN 0.382 nan 8.210 nan 0.000 0.451 679 W N 6.642 127.953 121.300 0.018 0.000 2.627 679 W HA 0.654 5.255 4.660 -0.097 0.000 0.339 679 W C -0.451 176.226 176.519 0.262 0.000 1.058 679 W CA -0.453 56.974 57.345 0.137 0.000 1.223 679 W CB 1.138 30.647 29.460 0.081 0.000 1.389 679 W HN 0.151 nan 8.180 nan 0.000 0.541 680 I N 2.586 123.478 120.570 0.536 0.000 2.389 680 I HA 0.524 4.634 4.170 -0.099 0.000 0.288 680 I C 0.480 176.756 176.117 0.266 0.000 0.999 680 I CA -0.723 60.782 61.300 0.342 0.000 1.129 680 I CB 1.253 39.390 38.000 0.228 0.000 1.288 680 I HN 0.553 nan 8.210 nan 0.000 0.444 681 G N 6.866 115.587 108.800 -0.132 0.000 2.417 681 G HA2 0.621 4.521 3.960 -0.099 0.000 0.320 681 G HA3 0.621 4.521 3.960 -0.099 0.000 0.320 681 G C -1.062 173.585 174.900 -0.423 0.000 1.204 681 G CA -0.410 44.233 45.100 -0.761 0.000 0.923 681 G HN 0.234 nan 8.290 nan 0.000 0.466 682 L N 2.478 123.519 121.223 -0.303 0.000 2.275 682 L HA 0.342 4.622 4.340 -0.099 0.000 0.288 682 L C 0.426 177.195 176.870 -0.169 0.000 1.046 682 L CA -0.747 54.000 54.840 -0.156 0.000 0.805 682 L CB 1.688 43.706 42.059 -0.069 0.000 1.193 682 L HN 0.241 nan 8.230 nan 0.000 0.426 683 V N 4.606 124.452 119.914 -0.113 0.000 2.488 683 V HA 0.323 4.384 4.120 -0.099 0.000 0.277 683 V C 0.183 176.286 176.094 0.016 0.000 1.046 683 V CA -0.554 61.703 62.300 -0.072 0.000 0.986 683 V CB 0.591 32.343 31.823 -0.119 0.000 0.989 683 V HN 0.705 nan 8.190 nan 0.000 0.475 684 N N 2.864 121.608 118.700 0.074 0.000 2.284 684 N HA 0.297 4.978 4.740 -0.099 0.000 0.300 684 N C -1.110 174.510 175.510 0.183 0.000 1.047 684 N CA -0.598 52.510 53.050 0.097 0.000 0.821 684 N CB 2.317 40.826 38.487 0.037 0.000 1.337 684 N HN 0.660 nan 8.380 nan 0.000 0.482 685 D N 0.616 121.097 120.400 0.135 0.000 2.359 685 D HA 0.120 4.700 4.640 -0.099 0.000 0.230 685 D C 1.116 177.379 176.300 -0.061 0.000 1.118 685 D CA -0.297 53.705 54.000 0.003 0.000 0.844 685 D CB 0.832 41.635 40.800 0.006 0.000 1.059 685 D HN 0.533 nan 8.370 nan 0.000 0.493 686 T N 0.760 115.251 114.554 -0.105 0.000 3.088 686 T HA 0.193 4.484 4.350 -0.099 0.000 0.259 686 T C 1.624 176.266 174.700 -0.096 0.000 1.122 686 T CA 0.503 62.556 62.100 -0.078 0.000 1.095 686 T CB -0.099 68.729 68.868 -0.066 0.000 0.930 686 T HN 0.599 nan 8.240 nan 0.000 0.508 687 G N 1.313 110.025 108.800 -0.147 0.000 2.212 687 G HA2 -0.301 3.600 3.960 -0.099 0.000 0.266 687 G HA3 -0.301 3.600 3.960 -0.099 0.000 0.266 687 G C 0.050 174.875 174.900 -0.124 0.000 0.978 687 G CA 0.129 45.153 45.100 -0.127 0.000 0.632 687 G HN 0.682 nan 8.290 nan 0.000 0.537 688 N N 0.960 119.583 118.700 -0.127 0.000 2.371 688 N HA 0.489 5.169 4.740 -0.099 0.000 0.243 688 N C 0.788 176.221 175.510 -0.130 0.000 1.287 688 N CA 0.822 53.809 53.050 -0.104 0.000 0.911 688 N CB 0.499 38.935 38.487 -0.086 0.000 1.142 688 N HN 0.465 nan 8.380 nan 0.000 0.451 689 T N -1.720 112.774 114.554 -0.100 0.000 2.927 689 T HA 0.666 4.956 4.350 -0.099 0.000 0.281 689 T C 0.910 175.555 174.700 -0.092 0.000 0.998 689 T CA -0.234 61.806 62.100 -0.101 0.000 1.019 689 T CB 1.227 70.049 68.868 -0.076 0.000 1.061 689 T HN 0.743 nan 8.240 nan 0.000 0.518 690 G N 1.530 110.276 108.800 -0.090 0.000 2.566 690 G HA2 -0.261 3.639 3.960 -0.099 0.000 0.280 690 G HA3 -0.261 3.639 3.960 -0.099 0.000 0.280 690 G C 0.785 175.645 174.900 -0.066 0.000 1.225 690 G CA 0.019 45.073 45.100 -0.076 0.000 0.966 690 G HN 0.785 nan 8.290 nan 0.000 0.560 691 I N 1.553 122.092 120.570 -0.052 0.000 2.185 691 I HA -0.120 3.991 4.170 -0.099 0.000 0.246 691 I C 2.033 178.143 176.117 -0.012 0.000 1.088 691 I CA 2.378 63.661 61.300 -0.028 0.000 1.347 691 I CB -1.099 36.887 38.000 -0.024 0.000 1.041 691 I HN 0.472 nan 8.210 nan 0.000 0.415 692 D N 0.161 120.541 120.400 -0.033 0.000 2.328 692 D HA -0.056 4.525 4.640 -0.099 0.000 0.226 692 D C 1.966 178.221 176.300 -0.075 0.000 1.066 692 D CA 0.118 54.099 54.000 -0.032 0.000 0.861 692 D CB 0.135 40.916 40.800 -0.031 0.000 0.912 692 D HN 0.402 nan 8.370 nan 0.000 0.521 693 K N 0.018 120.335 120.400 -0.140 0.000 2.063 693 K HA -0.152 4.109 4.320 -0.099 0.000 0.208 693 K C -0.113 176.229 176.600 -0.430 0.000 1.048 693 K CA 1.033 57.117 56.287 -0.339 0.000 0.928 693 K CB 0.192 32.387 32.500 -0.509 0.000 0.713 693 K HN 0.023 nan 8.250 nan 0.000 0.442 694 Y N -0.634 119.658 120.300 -0.012 0.000 2.446 694 Y HA 0.380 4.871 4.550 -0.099 0.000 0.338 694 Y C -0.277 175.622 175.900 -0.001 0.000 1.055 694 Y CA -0.939 57.157 58.100 -0.008 0.000 1.101 694 Y CB 2.209 40.667 38.460 -0.003 0.000 1.221 694 Y HN -0.205 nan 8.280 nan 0.000 0.460 695 S N 1.344 117.145 115.700 0.169 0.000 2.557 695 S HA 0.711 5.121 4.470 -0.099 0.000 0.291 695 S C -1.587 173.029 174.600 0.027 0.000 1.116 695 S CA -0.615 57.636 58.200 0.084 0.000 0.992 695 S CB 0.845 64.072 63.200 0.046 0.000 1.028 695 S HN 0.388 nan 8.310 nan 0.000 0.484 696 V N 4.625 124.523 119.914 -0.027 0.000 2.370 696 V HA 0.438 4.499 4.120 -0.099 0.000 0.283 696 V C 0.215 176.104 176.094 -0.342 0.000 1.023 696 V CA -0.629 61.526 62.300 -0.242 0.000 0.857 696 V CB 1.441 33.039 31.823 -0.375 0.000 0.985 696 V HN 0.875 nan 8.190 nan 0.000 0.443 697 E N 4.575 124.579 120.200 -0.327 0.000 2.046 697 E HA 0.162 4.453 4.350 -0.099 0.000 0.279 697 E C -1.115 175.310 176.600 -0.292 0.000 0.989 697 E CA -0.642 55.628 56.400 -0.215 0.000 0.798 697 E CB 0.552 30.184 29.700 -0.114 0.000 1.086 697 E HN 0.692 nan 8.360 nan 0.000 0.399 698 W N 5.626 126.932 121.300 0.010 0.000 2.110 698 W HA 0.140 4.741 4.660 -0.100 0.000 0.450 698 W C 1.471 178.043 176.519 0.088 0.000 0.893 698 W CA -0.316 57.066 57.345 0.061 0.000 1.688 698 W CB 0.317 29.767 29.460 -0.018 0.000 1.779 698 W HN 0.568 nan 8.180 nan 0.000 0.300 699 K N 1.189 121.639 120.400 0.084 0.000 2.167 699 K HA -0.065 4.196 4.320 -0.099 0.000 0.203 699 K C -0.307 176.078 176.600 -0.358 0.000 1.052 699 K CA 0.978 57.139 56.287 -0.209 0.000 0.956 699 K CB 0.147 32.356 32.500 -0.484 0.000 0.735 699 K HN 0.229 nan 8.250 nan 0.000 0.451 700 Y N -0.372 120.035 120.300 0.178 0.000 2.499 700 Y HA 0.309 4.800 4.550 -0.099 0.000 0.347 700 Y C -0.389 175.491 175.900 -0.033 0.000 0.987 700 Y CA -1.129 57.004 58.100 0.055 0.000 1.044 700 Y CB 2.231 40.698 38.460 0.011 0.000 1.245 700 Y HN -0.090 nan 8.280 nan 0.000 0.461 701 S N 1.066 116.662 115.700 -0.174 0.000 2.541 701 S HA 0.664 5.074 4.470 -0.099 0.000 0.280 701 S C -1.934 172.423 174.600 -0.406 0.000 1.112 701 S CA -0.840 56.898 58.200 -0.769 0.000 0.925 701 S CB 1.849 64.090 63.200 -1.598 0.000 1.067 701 S HN 0.634 nan 8.310 nan 0.000 0.479 702 Y N 1.810 121.770 120.300 -0.565 0.000 2.329 702 Y HA 0.619 5.108 4.550 -0.101 0.000 0.328 702 Y C -0.442 175.198 175.900 -0.433 0.000 0.992 702 Y CA -0.684 57.165 58.100 -0.418 0.000 1.151 702 Y CB 1.267 39.495 38.460 -0.387 0.000 1.150 702 Y HN 1.117 nan 8.280 nan 0.000 0.450 703 A N 5.468 127.853 122.820 -0.724 0.000 2.347 703 A HA 0.385 4.646 4.320 -0.099 0.000 0.287 703 A C 0.493 177.729 177.584 -0.580 0.000 1.199 703 A CA -0.260 51.451 52.037 -0.542 0.000 0.851 703 A CB 0.560 19.314 19.000 -0.410 0.000 1.118 703 A HN 0.858 nan 8.150 nan 0.000 0.525 704 V N 2.121 121.850 119.914 -0.309 0.000 2.515 704 V HA -0.028 4.032 4.120 -0.099 0.000 0.250 704 V C 0.985 177.087 176.094 0.013 0.000 1.058 704 V CA 2.427 64.677 62.300 -0.082 0.000 1.064 704 V CB -0.433 31.389 31.823 -0.002 0.000 0.675 704 V HN 1.007 nan 8.190 nan 0.000 0.461 705 D N -2.216 118.162 120.400 -0.037 0.000 3.103 705 D HA 0.212 4.793 4.640 -0.099 0.000 0.337 705 D C -0.408 175.869 176.300 -0.039 0.000 1.356 705 D CA 0.372 54.382 54.000 0.017 0.000 0.951 705 D CB 1.306 42.179 40.800 0.121 0.000 1.438 705 D HN 0.184 nan 8.370 nan 0.000 0.562 706 T N -1.133 113.418 114.554 -0.005 0.000 2.868 706 T HA 0.388 4.678 4.350 -0.099 0.000 0.292 706 T C -1.827 172.867 174.700 -0.010 0.000 1.028 706 T CA -0.955 61.132 62.100 -0.021 0.000 1.059 706 T CB 1.172 70.037 68.868 -0.004 0.000 0.991 706 T HN 0.089 nan 8.240 nan 0.000 0.531 707 P HA -0.145 nan 4.420 nan 0.000 0.217 707 P C 1.477 178.788 177.300 0.018 0.000 1.151 707 P CA 1.119 64.209 63.100 -0.016 0.000 0.849 707 P CB 0.049 31.736 31.700 -0.022 0.000 0.787 708 Q N -2.241 117.582 119.800 0.039 0.000 2.392 708 Q HA 0.134 4.415 4.340 -0.099 0.000 0.203 708 Q C 0.632 176.689 176.000 0.095 0.000 0.917 708 Q CA 0.393 56.235 55.803 0.064 0.000 0.939 708 Q CB -0.232 28.545 28.738 0.065 0.000 1.063 708 Q HN 0.341 nan 8.270 nan 0.000 0.516 709 M N 1.068 120.730 119.600 0.103 0.000 2.238 709 M HA 0.160 4.580 4.480 -0.099 0.000 0.350 709 M C 0.802 177.221 176.300 0.197 0.000 1.321 709 M CA 0.010 55.400 55.300 0.151 0.000 1.097 709 M CB 0.156 32.850 32.600 0.156 0.000 1.713 709 M HN 0.007 nan 8.290 nan 0.000 0.455 710 G N 2.982 111.917 108.800 0.224 0.000 2.432 710 G HA2 0.180 4.080 3.960 -0.099 0.000 0.239 710 G HA3 0.180 4.080 3.960 -0.099 0.000 0.239 710 G C -1.404 173.724 174.900 0.379 0.000 1.291 710 G CA 0.037 45.289 45.100 0.253 0.000 0.863 710 G HN 0.730 nan 8.290 nan 0.000 0.560 711 Y N 1.351 121.757 120.300 0.177 0.000 2.275 711 Y HA 0.391 4.880 4.550 -0.101 0.000 0.319 711 Y C 0.195 176.203 175.900 0.181 0.000 1.204 711 Y CA -0.736 57.513 58.100 0.248 0.000 1.136 711 Y CB 1.007 39.586 38.460 0.198 0.000 1.228 711 Y HN 0.631 nan 8.280 nan 0.000 0.413 712 S N 2.683 118.523 115.700 0.232 0.000 4.355 712 S HA 0.388 4.798 4.470 -0.099 0.000 0.201 712 S C -0.980 173.831 174.600 0.352 0.000 1.044 712 S CA -0.398 57.960 58.200 0.264 0.000 1.777 712 S CB 0.027 63.284 63.200 0.095 0.000 0.797 712 S HN 0.396 nan 8.310 nan 0.000 0.774 713 Y N 2.897 123.250 120.300 0.088 0.000 2.457 713 Y HA 0.439 4.930 4.550 -0.100 0.000 0.341 713 Y C 1.093 177.061 175.900 0.113 0.000 1.240 713 Y CA -0.647 57.520 58.100 0.111 0.000 1.437 713 Y CB 0.111 38.639 38.460 0.113 0.000 1.328 713 Y HN 0.585 nan 8.280 nan 0.000 0.588 714 S N -0.038 115.819 115.700 0.263 0.000 2.643 714 S HA 0.696 5.106 4.470 -0.099 0.000 0.270 714 S C -1.552 173.185 174.600 0.229 0.000 1.166 714 S CA -0.993 57.353 58.200 0.243 0.000 0.815 714 S CB 1.810 65.143 63.200 0.221 0.000 1.139 714 S HN 0.829 nan 8.310 nan 0.000 0.472 715 C N 1.920 121.367 119.300 0.246 0.000 2.832 715 C HA 0.630 5.030 4.460 -0.099 0.000 0.383 715 C C -1.513 173.630 174.990 0.256 0.000 1.046 715 C CA -0.418 58.740 59.018 0.233 0.000 1.242 715 C CB 0.037 27.913 27.740 0.227 0.000 1.693 715 C HN 0.875 nan 8.230 nan 0.000 0.497 716 L N 4.177 125.542 121.223 0.237 0.000 2.399 716 L HA 0.902 5.182 4.340 -0.099 0.000 0.265 716 L C 0.590 177.613 176.870 0.254 0.000 1.089 716 L CA 0.291 55.278 54.840 0.245 0.000 0.802 716 L CB 1.351 43.538 42.059 0.213 0.000 1.180 716 L HN 0.933 nan 8.230 nan 0.000 0.454 717 A N 1.347 124.329 122.820 0.270 0.000 2.540 717 A HA 0.459 4.719 4.320 -0.099 0.000 0.297 717 A C -0.825 176.915 177.584 0.260 0.000 1.056 717 A CA -0.631 51.563 52.037 0.262 0.000 0.700 717 A CB 1.031 20.200 19.000 0.283 0.000 1.280 717 A HN 0.661 nan 8.150 nan 0.000 0.398 718 E N 2.922 123.260 120.200 0.230 0.000 2.152 718 E HA 0.480 4.771 4.350 -0.099 0.000 0.285 718 E C -0.670 176.031 176.600 0.169 0.000 1.043 718 E CA -0.353 56.178 56.400 0.219 0.000 0.839 718 E CB 0.400 30.178 29.700 0.130 0.000 1.069 718 E HN 0.599 nan 8.360 nan 0.000 0.399 719 L N 5.606 126.936 121.223 0.180 0.000 2.475 719 L HA 0.201 4.481 4.340 -0.099 0.000 0.253 719 L C -1.516 175.407 176.870 0.088 0.000 1.198 719 L CA -1.827 53.102 54.840 0.148 0.000 0.814 719 L CB 0.224 42.385 42.059 0.170 0.000 1.134 719 L HN 0.526 nan 8.230 nan 0.000 0.478 720 P HA -0.155 nan 4.420 nan 0.000 0.216 720 P C -0.292 177.025 177.300 0.028 0.000 1.150 720 P CA 1.068 64.187 63.100 0.031 0.000 0.843 720 P CB -0.056 31.654 31.700 0.016 0.000 0.787 721 D N -1.529 118.895 120.400 0.040 0.000 2.376 721 D HA 0.067 4.647 4.640 -0.099 0.000 0.268 721 D C 1.768 178.104 176.300 0.061 0.000 1.252 721 D CA 0.014 54.037 54.000 0.039 0.000 1.041 721 D CB -0.943 39.878 40.800 0.036 0.000 1.109 721 D HN -0.026 nan 8.370 nan 0.000 0.552 722 G N -1.930 106.914 108.800 0.073 0.000 2.598 722 G HA2 -0.111 3.789 3.960 -0.099 0.000 0.215 722 G HA3 -0.111 3.789 3.960 -0.099 0.000 0.215 722 G C 0.596 175.616 174.900 0.199 0.000 1.131 722 G CA 0.048 45.229 45.100 0.135 0.000 0.785 722 G HN 0.415 nan 8.290 nan 0.000 0.539 723 Q N -0.406 119.472 119.800 0.130 0.000 2.474 723 Q HA 0.302 4.582 4.340 -0.099 0.000 0.256 723 Q C -0.698 175.412 176.000 0.182 0.000 1.048 723 Q CA 0.014 55.890 55.803 0.121 0.000 0.922 723 Q CB 1.648 30.421 28.738 0.059 0.000 1.288 723 Q HN 0.022 nan 8.270 nan 0.000 0.484 724 V N 1.454 121.457 119.914 0.148 0.000 2.334 724 V HA 0.366 4.427 4.120 -0.099 0.000 0.281 724 V C 0.389 176.589 176.094 0.175 0.000 1.016 724 V CA -0.572 61.839 62.300 0.186 0.000 0.832 724 V CB 1.150 33.050 31.823 0.129 0.000 0.999 724 V HN 0.847 nan 8.190 nan 0.000 0.439 725 G N 4.365 113.306 108.800 0.235 0.000 2.476 725 G HA2 0.576 4.476 3.960 -0.099 0.000 0.269 725 G HA3 0.576 4.476 3.960 -0.099 0.000 0.269 725 G C -0.886 174.198 174.900 0.307 0.000 1.195 725 G CA -0.365 44.893 45.100 0.264 0.000 0.843 725 G HN 0.597 nan 8.290 nan 0.000 0.545 726 L N 2.199 123.580 121.223 0.263 0.000 2.482 726 L HA 0.483 4.763 4.340 -0.099 0.000 0.269 726 L C -1.643 175.524 176.870 0.496 0.000 0.967 726 L CA -0.855 54.191 54.840 0.344 0.000 0.851 726 L CB 1.820 44.053 42.059 0.290 0.000 1.242 726 L HN 0.458 nan 8.230 nan 0.000 0.404 727 L N 6.936 128.454 121.223 0.491 0.000 2.305 727 L HA 0.619 4.900 4.340 -0.099 0.000 0.284 727 L C -1.086 176.023 176.870 0.398 0.000 1.013 727 L CA -0.113 54.987 54.840 0.432 0.000 0.819 727 L CB 1.246 43.462 42.059 0.262 0.000 1.227 727 L HN 0.523 nan 8.230 nan 0.000 0.417 728 Y N 1.369 121.730 120.300 0.102 0.000 2.670 728 Y HA 0.623 5.112 4.550 -0.101 0.000 0.334 728 Y C -1.240 174.670 175.900 0.017 0.000 1.185 728 Y CA -1.477 56.621 58.100 -0.002 0.000 1.053 728 Y CB 0.920 39.240 38.460 -0.234 0.000 1.298 728 Y HN 0.560 nan 8.280 nan 0.000 0.459 729 E N 1.672 121.849 120.200 -0.038 0.000 2.044 729 E HA 0.200 4.490 4.350 -0.099 0.000 0.282 729 E C -0.899 175.721 176.600 0.032 0.000 1.031 729 E CA -0.622 55.804 56.400 0.043 0.000 0.824 729 E CB 1.104 30.953 29.700 0.249 0.000 1.076 729 E HN 0.467 nan 8.360 nan 0.000 0.395 730 K N 4.710 125.054 120.400 -0.093 0.000 2.751 730 K HA 0.071 4.331 4.320 -0.099 0.000 0.252 730 K C -1.326 175.471 176.600 0.328 0.000 1.277 730 K CA -0.082 56.273 56.287 0.112 0.000 1.226 730 K CB -0.134 32.363 32.500 -0.006 0.000 1.658 730 K HN 0.441 nan 8.250 nan 0.000 0.303 731 Y N -2.613 117.754 120.300 0.113 0.000 2.818 731 Y HA 0.293 4.783 4.550 -0.099 0.000 0.341 731 Y C -1.867 174.126 175.900 0.155 0.000 1.283 731 Y CA -1.922 56.249 58.100 0.120 0.000 1.075 731 Y CB 0.638 39.140 38.460 0.071 0.000 1.370 731 Y HN -0.054 nan 8.280 nan 0.000 0.448 732 D N 1.353 121.661 120.400 -0.154 0.000 2.479 732 D HA 0.205 4.786 4.640 -0.099 0.000 0.218 732 D C 0.681 176.706 176.300 -0.459 0.000 1.131 732 D CA 0.474 54.361 54.000 -0.187 0.000 0.916 732 D CB 0.972 41.806 40.800 0.057 0.000 1.022 732 D HN 0.717 nan 8.370 nan 0.000 0.515 733 S N 2.901 118.158 115.700 -0.738 0.000 2.595 733 S HA -0.086 4.324 4.470 -0.099 0.000 0.235 733 S C 1.594 176.166 174.600 -0.047 0.000 0.974 733 S CA -0.265 57.617 58.200 -0.530 0.000 0.942 733 S CB -0.295 62.653 63.200 -0.419 0.000 0.766 733 S HN 0.691 nan 8.310 nan 0.000 0.536 734 W N 1.963 123.170 121.300 -0.155 0.000 2.574 734 W HA 0.303 4.903 4.660 -0.100 0.000 0.282 734 W C 0.759 177.205 176.519 -0.122 0.000 1.197 734 W CA 0.286 57.557 57.345 -0.124 0.000 1.376 734 W CB -0.310 29.087 29.460 -0.105 0.000 1.091 734 W HN 0.361 nan 8.180 nan 0.000 0.569 735 S N 2.187 117.930 115.700 0.070 0.000 2.563 735 S HA -0.030 4.380 4.470 -0.099 0.000 0.294 735 S C 1.128 175.675 174.600 -0.089 0.000 1.279 735 S CA -0.023 58.176 58.200 -0.001 0.000 1.069 735 S CB 0.621 63.861 63.200 0.068 0.000 0.828 735 S HN 0.163 nan 8.310 nan 0.000 0.497 736 R N 3.707 124.133 120.500 -0.122 0.000 2.323 736 R HA 0.040 4.321 4.340 -0.099 0.000 0.198 736 R C 1.345 177.599 176.300 -0.076 0.000 0.988 736 R CA 0.318 56.343 56.100 -0.125 0.000 1.041 736 R CB -0.589 29.638 30.300 -0.123 0.000 0.926 736 R HN 0.738 nan 8.270 nan 0.000 0.476 737 N N 0.791 119.471 118.700 -0.034 0.000 2.254 737 N HA -0.021 4.659 4.740 -0.099 0.000 0.190 737 N C -0.118 175.396 175.510 0.007 0.000 1.107 737 N CA 0.176 53.223 53.050 -0.006 0.000 0.869 737 N CB 0.587 39.089 38.487 0.025 0.000 0.983 737 N HN 0.207 nan 8.380 nan 0.000 0.487 738 E N 0.871 121.082 120.200 0.018 0.000 2.869 738 E HA 0.195 4.485 4.350 -0.099 0.000 0.207 738 E C -0.486 176.144 176.600 0.050 0.000 0.986 738 E CA -0.188 56.267 56.400 0.092 0.000 1.131 738 E CB 0.924 30.767 29.700 0.239 0.000 1.098 738 E HN 0.286 nan 8.360 nan 0.000 0.459 739 L N 0.455 121.566 121.223 -0.186 0.000 2.418 739 L HA 0.247 4.527 4.340 -0.099 0.000 0.265 739 L C 0.247 176.765 176.870 -0.587 0.000 1.143 739 L CA -0.221 54.306 54.840 -0.523 0.000 0.809 739 L CB -0.115 41.346 42.059 -0.996 0.000 1.124 739 L HN 0.400 nan 8.230 nan 0.000 0.456 740 H N 0.580 119.469 119.070 -0.302 0.000 2.748 740 H HA -0.143 4.354 4.556 -0.100 0.000 0.322 740 H C -1.057 174.234 175.328 -0.061 0.000 1.208 740 H CA -0.302 55.480 56.048 -0.444 0.000 1.151 740 H CB -1.786 27.767 29.762 -0.349 0.000 1.505 740 H HN 0.289 nan 8.280 nan 0.000 0.429 741 L N 1.094 122.321 121.223 0.007 0.000 2.307 741 L HA 0.397 4.677 4.340 -0.099 0.000 0.284 741 L C 0.576 177.504 176.870 0.096 0.000 1.023 741 L CA -0.714 54.139 54.840 0.023 0.000 0.810 741 L CB 1.665 43.605 42.059 -0.197 0.000 1.231 741 L HN 0.198 nan 8.230 nan 0.000 0.423 742 K N 1.133 121.576 120.400 0.071 0.000 2.098 742 K HA 0.191 4.452 4.320 -0.099 0.000 0.257 742 K C -0.133 176.454 176.600 -0.021 0.000 0.999 742 K CA -0.625 55.642 56.287 -0.033 0.000 0.924 742 K CB 0.546 32.981 32.500 -0.107 0.000 1.028 742 K HN 0.536 nan 8.250 nan 0.000 0.466 743 D N 1.056 121.466 120.400 0.016 0.000 2.723 743 D HA -0.137 4.444 4.640 -0.099 0.000 0.236 743 D C -0.029 176.257 176.300 -0.025 0.000 1.138 743 D CA 0.621 54.632 54.000 0.018 0.000 0.676 743 D CB -0.849 39.959 40.800 0.013 0.000 1.069 743 D HN 0.505 nan 8.370 nan 0.000 0.430 744 I N -2.992 117.544 120.570 -0.056 0.000 4.057 744 I HA 0.315 4.426 4.170 -0.099 0.000 0.334 744 I C 0.535 176.591 176.117 -0.101 0.000 1.308 744 I CA -0.309 60.930 61.300 -0.102 0.000 1.125 744 I CB 0.167 38.002 38.000 -0.274 0.000 1.034 744 I HN 0.114 nan 8.210 nan 0.000 0.401 745 L N 3.459 124.647 121.223 -0.057 0.000 2.282 745 L HA 0.516 4.797 4.340 -0.099 0.000 0.287 745 L C -0.420 176.379 176.870 -0.119 0.000 1.075 745 L CA 0.071 54.868 54.840 -0.072 0.000 0.839 745 L CB -0.183 41.898 42.059 0.036 0.000 1.219 745 L HN 0.028 nan 8.230 nan 0.000 0.434 746 K N 4.499 124.741 120.400 -0.264 0.000 2.156 746 K HA 0.422 4.683 4.320 -0.099 0.000 0.254 746 K C -1.034 175.630 176.600 0.107 0.000 0.950 746 K CA -0.534 55.673 56.287 -0.134 0.000 0.849 746 K CB 1.967 34.347 32.500 -0.201 0.000 1.100 746 K HN 0.331 nan 8.250 nan 0.000 0.434 747 F N 1.599 121.565 119.950 0.026 0.000 2.449 747 F HA 0.343 4.810 4.527 -0.099 0.000 0.342 747 F C -0.497 175.417 175.800 0.190 0.000 1.127 747 F CA -0.647 57.415 58.000 0.103 0.000 0.975 747 F CB 1.132 40.119 39.000 -0.022 0.000 1.146 747 F HN 0.509 nan 8.300 nan 0.000 0.444 748 E N 4.425 124.421 120.200 -0.340 0.000 2.393 748 E HA 0.492 4.782 4.350 -0.099 0.000 0.273 748 E C -1.423 174.815 176.600 -0.603 0.000 0.918 748 E CA -1.262 54.927 56.400 -0.352 0.000 0.773 748 E CB 2.733 32.477 29.700 0.074 0.000 1.275 748 E HN 0.476 nan 8.360 nan 0.000 0.451 749 K N 1.340 121.355 120.400 -0.642 0.000 2.371 749 K HA 0.553 4.814 4.320 -0.099 0.000 0.251 749 K C -1.552 174.626 176.600 -0.703 0.000 0.934 749 K CA -0.732 55.266 56.287 -0.482 0.000 0.798 749 K CB 1.589 33.909 32.500 -0.299 0.000 1.204 749 K HN 0.359 nan 8.250 nan 0.000 0.427 750 Y N -0.102 120.113 120.300 -0.141 0.000 2.492 750 Y HA 0.258 4.749 4.550 -0.099 0.000 0.346 750 Y C 0.213 176.009 175.900 -0.173 0.000 0.997 750 Y CA -0.936 57.035 58.100 -0.215 0.000 1.025 750 Y CB 2.277 40.516 38.460 -0.368 0.000 1.263 750 Y HN 0.657 nan 8.280 nan 0.000 0.454 751 S N 1.719 117.399 115.700 -0.033 0.000 2.672 751 S HA 0.372 4.782 4.470 -0.099 0.000 0.276 751 S C 0.806 175.336 174.600 -0.117 0.000 1.207 751 S CA -0.729 57.441 58.200 -0.050 0.000 1.002 751 S CB 0.853 64.026 63.200 -0.045 0.000 0.998 751 S HN 0.568 nan 8.310 nan 0.000 0.542 752 I N 1.383 121.874 120.570 -0.131 0.000 2.361 752 I HA -0.111 3.999 4.170 -0.099 0.000 0.251 752 I C 2.727 178.716 176.117 -0.214 0.000 1.133 752 I CA 1.287 62.452 61.300 -0.224 0.000 1.413 752 I CB -1.877 35.983 38.000 -0.232 0.000 1.073 752 I HN 0.886 nan 8.210 nan 0.000 0.424 753 S N 0.705 116.320 115.700 -0.141 0.000 2.359 753 S HA -0.229 4.182 4.470 -0.099 0.000 0.224 753 S C 1.911 176.436 174.600 -0.125 0.000 1.035 753 S CA 1.704 59.832 58.200 -0.119 0.000 1.018 753 S CB -0.057 63.102 63.200 -0.068 0.000 0.876 753 S HN 0.494 nan 8.310 nan 0.000 0.448 754 E N 0.164 120.292 120.200 -0.120 0.000 2.031 754 E HA -0.125 4.166 4.350 -0.099 0.000 0.193 754 E C 2.132 178.619 176.600 -0.189 0.000 0.994 754 E CA 1.247 57.586 56.400 -0.102 0.000 0.800 754 E CB -0.282 29.350 29.700 -0.114 0.000 0.752 754 E HN 0.312 nan 8.360 nan 0.000 0.447 755 L N 0.879 121.877 121.223 -0.375 0.000 2.081 755 L HA -0.161 4.120 4.340 -0.099 0.000 0.212 755 L C 2.519 179.242 176.870 -0.246 0.000 1.080 755 L CA 2.096 56.689 54.840 -0.412 0.000 0.754 755 L CB -1.200 40.620 42.059 -0.398 0.000 0.893 755 L HN 0.278 nan 8.230 nan 0.000 0.433 756 T N -4.186 110.149 114.554 -0.365 0.000 3.219 756 T HA 0.359 4.650 4.350 -0.099 0.000 0.249 756 T C 1.439 175.999 174.700 -0.232 0.000 1.099 756 T CA 0.376 62.098 62.100 -0.629 0.000 0.988 756 T CB -0.110 68.194 68.868 -0.940 0.000 0.999 756 T HN 0.449 nan 8.240 nan 0.000 0.550 757 G N 1.488 110.248 108.800 -0.068 0.000 2.184 757 G HA2 -0.385 3.516 3.960 -0.099 0.000 0.264 757 G HA3 -0.385 3.516 3.960 -0.099 0.000 0.264 757 G C 0.747 175.639 174.900 -0.013 0.000 0.975 757 G CA 0.596 45.701 45.100 0.008 0.000 0.642 757 G HN 0.608 nan 8.290 nan 0.000 0.536 758 Q N 0.132 119.898 119.800 -0.057 0.000 2.224 758 Q HA 0.328 4.609 4.340 -0.099 0.000 0.203 758 Q C 1.517 177.502 176.000 -0.025 0.000 0.970 758 Q CA 1.852 57.629 55.803 -0.043 0.000 0.865 758 Q CB -0.267 28.427 28.738 -0.072 0.000 0.922 758 Q HN 2.250 nan 8.270 nan 0.000 0.445 759 A N 0.000 122.807 122.820 -0.022 0.000 2.254 759 A HA 0.000 4.260 4.320 -0.099 0.000 0.244 759 A CA 0.000 52.035 52.037 -0.004 0.000 0.836 759 A CB 0.000 19.003 19.000 0.004 0.000 0.831 759 A HN 0.000 nan 8.150 nan 0.000 0.486