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 2h23_1_A DATA FIRST_RESID 50 DATA SEQUENCE LSPAVQTFWK WLQEEGVITA KTPVKASVVT EGLGLVALKD ISRNDVILQV DATA SEQUENCE PKRLWINPDA VAASEIGRVC SELKPWLSVI LFLIRERSRE DSVWKHYFGI DATA SEQUENCE LPQETDSTIY WSEEELQELQ GSQLLKTTVS VKEYVKNECL KLEQEIILPN DATA SEQUENCE KRLFPDPVTL DDFFWAFGIL RSRAFSRLXX XNLVVVPMAD LINHSAGVTT DATA SEQUENCE EDHAYEVXXX XXXXXXXYLF SLKSPLSVKA GEQVYIQYDL NKSNAELALD DATA SEQUENCE YGFIEPNENR HAYTLTLEIS ESDPFFDDKL DVAESNGFAQ TAYFDIFYNR DATA SEQUENCE TLPPGLLPYL RLVALGGTDA FLLESLFRDT IWGHLELSVS RDNEELLCKA DATA SEQUENCE VREACKSALA GYHTTIEQDR ELKEGNLDSR LAIAVGIREG EKMVLQQIDG DATA SEQUENCE IFEQKELELD QLEYYQERRL KDLGLCGENG DILENLY 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 50 L HA 0.000 nan 4.340 nan 0.000 0.249 50 L C 0.000 176.866 176.870 -0.006 0.000 1.165 50 L CA 0.000 54.834 54.840 -0.010 0.000 0.813 50 L CB 0.000 42.041 42.059 -0.030 0.000 0.961 51 S N -0.621 115.078 115.700 -0.001 0.000 2.537 51 S HA 0.549 5.019 4.470 -0.000 0.000 0.270 51 S C -2.458 172.161 174.600 0.032 0.000 1.142 51 S CA -0.926 57.280 58.200 0.009 0.000 0.870 51 S CB 1.875 65.073 63.200 -0.003 0.000 1.112 51 S HN 0.118 nan 8.310 nan 0.000 0.466 52 P HA -0.077 nan 4.420 nan 0.000 0.202 52 P C 1.420 178.774 177.300 0.089 0.000 1.121 52 P CA 2.414 65.549 63.100 0.058 0.000 0.939 52 P CB -0.083 31.647 31.700 0.050 0.000 0.761 53 A N -1.091 121.787 122.820 0.097 0.000 2.076 53 A HA -0.158 4.162 4.320 -0.000 0.000 0.220 53 A C 2.258 179.960 177.584 0.197 0.000 1.160 53 A CA 1.720 53.848 52.037 0.151 0.000 0.653 53 A CB -1.683 17.382 19.000 0.108 0.000 0.801 53 A HN 0.062 nan 8.150 nan 0.000 0.455 54 V N -0.698 119.290 119.914 0.124 0.000 2.256 54 V HA -0.257 3.862 4.120 -0.000 0.000 0.240 54 V C 2.562 178.751 176.094 0.159 0.000 1.036 54 V CA 2.028 64.402 62.300 0.123 0.000 1.008 54 V CB -0.829 30.992 31.823 -0.003 0.000 0.648 54 V HN 0.708 nan 8.190 nan 0.000 0.453 55 Q N -0.559 119.299 119.800 0.097 0.000 2.376 55 Q HA -0.198 4.142 4.340 -0.000 0.000 0.211 55 Q C 1.989 178.093 176.000 0.173 0.000 0.986 55 Q CA 2.004 57.876 55.803 0.115 0.000 0.886 55 Q CB -0.033 28.752 28.738 0.077 0.000 0.927 55 Q HN 0.745 nan 8.270 nan 0.000 0.457 56 T N -0.651 114.010 114.554 0.178 0.000 2.953 56 T HA -0.037 4.313 4.350 -0.000 0.000 0.247 56 T C 1.087 175.919 174.700 0.220 0.000 1.029 56 T CA 0.439 62.608 62.100 0.115 0.000 1.144 56 T CB -0.373 68.529 68.868 0.057 0.000 0.870 56 T HN 0.324 nan 8.240 nan 0.000 0.446 57 F N 0.868 120.964 119.950 0.243 0.000 2.147 57 F HA -0.121 4.406 4.527 -0.000 0.000 0.301 57 F C 2.018 178.197 175.800 0.632 0.000 1.084 57 F CA 1.099 59.370 58.000 0.452 0.000 1.268 57 F CB -0.444 38.796 39.000 0.400 0.000 1.009 57 F HN 0.286 nan 8.300 nan 0.000 0.486 58 W N 0.986 122.381 121.300 0.158 0.000 2.358 58 W HA -0.232 4.428 4.660 -0.000 0.000 0.303 58 W C 2.319 178.830 176.519 -0.014 0.000 1.208 58 W CA 0.714 58.072 57.345 0.023 0.000 1.274 58 W CB -0.035 29.473 29.460 0.080 0.000 1.138 58 W HN -0.131 nan 8.180 nan 0.000 0.515 59 K N -0.397 120.149 120.400 0.243 0.000 2.032 59 K HA -0.256 4.064 4.320 -0.000 0.000 0.209 59 K C 1.443 178.082 176.600 0.064 0.000 1.048 59 K CA 1.817 58.158 56.287 0.090 0.000 0.927 59 K CB -1.444 31.089 32.500 0.055 0.000 0.712 59 K HN 0.312 nan 8.250 nan 0.000 0.441 60 W N 2.232 123.494 121.300 -0.063 0.000 2.318 60 W HA -0.214 4.446 4.660 -0.000 0.000 0.313 60 W C 1.779 178.262 176.519 -0.061 0.000 1.221 60 W CA 1.597 58.950 57.345 0.012 0.000 1.266 60 W CB -0.563 29.027 29.460 0.217 0.000 1.150 60 W HN -0.025 nan 8.180 nan 0.000 0.496 61 L N 0.358 121.380 121.223 -0.335 0.000 2.201 61 L HA -0.235 4.105 4.340 -0.000 0.000 0.212 61 L C 2.639 179.239 176.870 -0.451 0.000 1.105 61 L CA 1.425 55.909 54.840 -0.594 0.000 0.775 61 L CB -0.994 40.770 42.059 -0.493 0.000 0.913 61 L HN 0.131 nan 8.230 nan 0.000 0.440 62 Q N -0.010 119.596 119.800 -0.324 0.000 2.096 62 Q HA -0.247 4.093 4.340 -0.000 0.000 0.204 62 Q C 2.048 177.917 176.000 -0.217 0.000 0.982 62 Q CA 1.640 57.291 55.803 -0.254 0.000 0.850 62 Q CB -0.054 28.579 28.738 -0.174 0.000 0.901 62 Q HN 0.449 nan 8.270 nan 0.000 0.422 63 E N 0.378 120.450 120.200 -0.213 0.000 2.158 63 E HA -0.094 4.256 4.350 -0.000 0.000 0.191 63 E C 1.324 177.785 176.600 -0.231 0.000 0.982 63 E CA 0.556 56.851 56.400 -0.175 0.000 0.823 63 E CB 0.221 29.854 29.700 -0.112 0.000 0.766 63 E HN 0.203 nan 8.360 nan 0.000 0.468 64 E N -0.114 119.863 120.200 -0.372 0.000 2.526 64 E HA 0.024 4.374 4.350 -0.000 0.000 0.198 64 E C 0.665 177.098 176.600 -0.278 0.000 1.091 64 E CA 0.676 56.844 56.400 -0.386 0.000 0.880 64 E CB -0.239 29.065 29.700 -0.660 0.000 0.873 64 E HN 0.301 nan 8.360 nan 0.000 0.527 65 G N 0.986 109.645 108.800 -0.236 0.000 2.295 65 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.287 65 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.287 65 G C 0.821 175.614 174.900 -0.179 0.000 1.055 65 G CA 0.512 45.505 45.100 -0.180 0.000 0.922 65 G HN 0.265 nan 8.290 nan 0.000 0.503 66 V N -0.294 119.481 119.914 -0.230 0.000 2.840 66 V HA 0.399 4.519 4.120 -0.000 0.000 0.234 66 V C 1.475 177.435 176.094 -0.223 0.000 1.159 66 V CA 1.135 63.313 62.300 -0.202 0.000 1.194 66 V CB 0.206 31.882 31.823 -0.245 0.000 0.971 66 V HN 0.561 nan 8.190 nan 0.000 0.494 67 I N 2.741 123.118 120.570 -0.323 0.000 2.312 67 I HA 0.516 4.686 4.170 -0.000 0.000 0.290 67 I C 0.012 175.958 176.117 -0.286 0.000 1.008 67 I CA 0.201 61.271 61.300 -0.383 0.000 1.226 67 I CB 0.958 38.535 38.000 -0.706 0.000 1.371 67 I HN 0.522 nan 8.210 nan 0.000 0.468 68 T N 2.915 117.347 114.554 -0.204 0.000 2.831 68 T HA 0.539 4.889 4.350 -0.000 0.000 0.287 68 T C 0.779 175.415 174.700 -0.108 0.000 1.070 68 T CA -0.244 61.770 62.100 -0.143 0.000 1.010 68 T CB 1.515 70.319 68.868 -0.107 0.000 1.264 68 T HN 0.514 nan 8.240 nan 0.000 0.532 69 A N -0.250 122.526 122.820 -0.074 0.000 2.248 69 A HA 0.082 4.402 4.320 -0.000 0.000 0.210 69 A C 2.010 179.572 177.584 -0.036 0.000 1.174 69 A CA 1.265 53.274 52.037 -0.046 0.000 0.750 69 A CB -0.897 18.083 19.000 -0.032 0.000 0.780 69 A HN 0.840 nan 8.150 nan 0.000 0.478 70 K N 0.224 120.596 120.400 -0.046 0.000 2.211 70 K HA -0.031 4.289 4.320 -0.000 0.000 0.201 70 K C 0.419 177.004 176.600 -0.025 0.000 1.052 70 K CA 1.148 57.416 56.287 -0.032 0.000 0.973 70 K CB 0.021 32.499 32.500 -0.036 0.000 0.766 70 K HN 0.466 nan 8.250 nan 0.000 0.466 71 T N 1.850 116.379 114.554 -0.043 0.000 2.723 71 T HA 0.284 4.634 4.350 -0.000 0.000 0.297 71 T C -2.258 172.442 174.700 -0.000 0.000 0.925 71 T CA -1.764 60.319 62.100 -0.028 0.000 1.030 71 T CB 1.316 70.142 68.868 -0.070 0.000 0.905 71 T HN 0.037 nan 8.240 nan 0.000 0.502 72 P HA 0.407 nan 4.420 nan 0.000 0.219 72 P C -0.812 176.533 177.300 0.075 0.000 1.847 72 P CA -0.453 62.674 63.100 0.045 0.000 1.059 72 P CB 0.197 31.917 31.700 0.034 0.000 1.900 73 V N 3.291 123.276 119.914 0.118 0.000 2.850 73 V HA 0.273 4.393 4.120 -0.000 0.000 0.276 73 V C -1.345 174.951 176.094 0.337 0.000 1.467 73 V CA -0.720 61.684 62.300 0.173 0.000 0.926 73 V CB 1.811 33.728 31.823 0.157 0.000 1.131 73 V HN 0.434 nan 8.190 nan 0.000 0.453 74 K N 6.067 126.651 120.400 0.307 0.000 2.156 74 K HA 0.953 5.272 4.320 -0.000 0.000 0.254 74 K C -0.055 176.604 176.600 0.099 0.000 0.950 74 K CA -0.103 56.431 56.287 0.413 0.000 0.849 74 K CB 2.286 34.951 32.500 0.276 0.000 1.100 74 K HN 1.204 nan 8.250 nan 0.000 0.434 75 A N 1.581 124.209 122.820 -0.321 0.000 2.440 75 A HA 0.346 4.666 4.320 -0.000 0.000 0.251 75 A C -0.270 177.158 177.584 -0.261 0.000 1.089 75 A CA -0.215 51.575 52.037 -0.411 0.000 0.779 75 A CB 0.408 18.918 19.000 -0.817 0.000 1.022 75 A HN 0.722 nan 8.150 nan 0.000 0.492 76 S N 0.776 116.387 115.700 -0.148 0.000 2.618 76 S HA 0.567 5.037 4.470 -0.000 0.000 0.277 76 S C -1.021 173.533 174.600 -0.077 0.000 1.138 76 S CA -0.514 57.626 58.200 -0.101 0.000 0.844 76 S CB 1.461 64.622 63.200 -0.066 0.000 1.127 76 S HN 0.861 nan 8.310 nan 0.000 0.474 77 V N 3.737 123.618 119.914 -0.056 0.000 2.368 77 V HA 0.465 4.585 4.120 -0.000 0.000 0.266 77 V C 0.303 176.379 176.094 -0.029 0.000 1.045 77 V CA -0.296 61.981 62.300 -0.039 0.000 0.899 77 V CB 0.302 32.108 31.823 -0.029 0.000 1.006 77 V HN 0.689 nan 8.190 nan 0.000 0.470 78 V N 2.154 122.053 119.914 -0.026 0.000 3.177 78 V HA 0.556 4.676 4.120 -0.000 0.000 0.319 78 V C 1.446 177.539 176.094 -0.002 0.000 1.125 78 V CA 0.113 62.403 62.300 -0.017 0.000 1.029 78 V CB 1.336 33.140 31.823 -0.032 0.000 1.119 78 V HN 0.765 nan 8.190 nan 0.000 0.452 79 T N -1.173 113.385 114.554 0.007 0.000 2.849 79 T HA -0.185 4.165 4.350 -0.000 0.000 0.270 79 T C 1.052 175.760 174.700 0.013 0.000 1.066 79 T CA 1.804 63.911 62.100 0.010 0.000 1.130 79 T CB -0.574 68.300 68.868 0.010 0.000 0.864 79 T HN 0.940 nan 8.240 nan 0.000 0.481 80 E N 1.453 121.660 120.200 0.012 0.000 2.476 80 E HA 0.366 4.716 4.350 -0.000 0.000 0.191 80 E C 1.504 178.122 176.600 0.030 0.000 1.064 80 E CA 0.486 56.894 56.400 0.014 0.000 0.866 80 E CB -0.277 29.422 29.700 -0.003 0.000 0.952 80 E HN 0.710 nan 8.360 nan 0.000 0.492 81 G N 1.135 109.947 108.800 0.020 0.000 2.539 81 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.230 81 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.230 81 G C -0.579 174.321 174.900 -0.001 0.000 1.758 81 G CA -0.237 44.874 45.100 0.019 0.000 1.433 81 G HN 0.178 nan 8.290 nan 0.000 0.494 82 L N 1.268 122.490 121.223 -0.001 0.000 2.381 82 L HA 0.784 5.124 4.340 -0.000 0.000 0.268 82 L C 0.525 177.386 176.870 -0.016 0.000 0.997 82 L CA -0.198 54.629 54.840 -0.022 0.000 0.818 82 L CB 2.159 44.200 42.059 -0.029 0.000 1.310 82 L HN 1.141 nan 8.230 nan 0.000 0.416 83 G N 1.905 110.679 108.800 -0.043 0.000 2.687 83 G HA2 0.592 4.552 3.960 -0.000 0.000 0.291 83 G HA3 0.592 4.552 3.960 -0.000 0.000 0.291 83 G C -1.722 173.145 174.900 -0.055 0.000 1.420 83 G CA -0.743 44.325 45.100 -0.054 0.000 0.796 83 G HN 0.337 nan 8.290 nan 0.000 0.485 84 L N 1.171 122.359 121.223 -0.058 0.000 2.255 84 L HA 0.458 4.798 4.340 -0.000 0.000 0.289 84 L C -0.288 176.545 176.870 -0.061 0.000 1.046 84 L CA -0.810 54.025 54.840 -0.007 0.000 0.816 84 L CB 1.338 43.430 42.059 0.055 0.000 1.197 84 L HN 0.099 nan 8.230 nan 0.000 0.427 85 V N 3.091 122.992 119.914 -0.022 0.000 2.427 85 V HA 0.406 4.526 4.120 -0.000 0.000 0.286 85 V C 0.676 176.783 176.094 0.022 0.000 1.034 85 V CA -0.675 61.609 62.300 -0.026 0.000 0.893 85 V CB 1.659 33.471 31.823 -0.020 0.000 0.982 85 V HN 0.858 nan 8.190 nan 0.000 0.452 86 A N 4.977 127.804 122.820 0.011 0.000 2.491 86 A HA 0.341 4.661 4.320 -0.000 0.000 0.261 86 A C 0.989 178.598 177.584 0.042 0.000 1.101 86 A CA -0.079 51.978 52.037 0.033 0.000 0.772 86 A CB -0.021 18.991 19.000 0.021 0.000 1.043 86 A HN 0.956 nan 8.150 nan 0.000 0.501 87 L N 0.402 121.661 121.223 0.060 0.000 2.376 87 L HA 0.063 4.403 4.340 -0.000 0.000 0.219 87 L C 0.717 177.612 176.870 0.042 0.000 1.133 87 L CA 1.115 55.991 54.840 0.061 0.000 0.816 87 L CB -0.069 42.037 42.059 0.079 0.000 0.933 87 L HN 0.747 nan 8.230 nan 0.000 0.449 88 K N -1.124 119.298 120.400 0.035 0.000 2.625 88 K HA 0.173 4.493 4.320 -0.000 0.000 0.284 88 K C -1.569 175.046 176.600 0.024 0.000 0.984 88 K CA -0.733 55.571 56.287 0.027 0.000 0.865 88 K CB 0.931 33.446 32.500 0.024 0.000 1.468 88 K HN -0.305 nan 8.250 nan 0.000 0.407 89 D N 2.078 122.490 120.400 0.019 0.000 2.793 89 D HA 0.000 4.640 4.640 -0.000 0.000 0.230 89 D C -0.105 176.206 176.300 0.018 0.000 1.139 89 D CA 1.096 55.107 54.000 0.017 0.000 0.838 89 D CB -0.150 40.658 40.800 0.014 0.000 1.149 89 D HN 0.312 nan 8.370 nan 0.000 0.526 90 I N 1.417 121.999 120.570 0.020 0.000 2.607 90 I HA 0.276 4.446 4.170 -0.000 0.000 0.305 90 I C 0.559 176.687 176.117 0.018 0.000 0.995 90 I CA -0.731 60.581 61.300 0.021 0.000 1.148 90 I CB 1.678 39.693 38.000 0.025 0.000 1.323 90 I HN 0.174 nan 8.210 nan 0.000 0.461 91 S N 2.891 118.601 115.700 0.016 0.000 2.704 91 S HA 0.483 4.953 4.470 -0.000 0.000 0.305 91 S C -0.224 174.384 174.600 0.013 0.000 1.107 91 S CA -0.781 57.427 58.200 0.013 0.000 0.993 91 S CB 1.590 64.796 63.200 0.010 0.000 1.110 91 S HN 0.504 nan 8.310 nan 0.000 0.534 92 R N 1.181 121.687 120.500 0.010 0.000 2.585 92 R HA 0.014 4.354 4.340 -0.000 0.000 0.275 92 R C 0.361 176.663 176.300 0.003 0.000 1.018 92 R CA 0.654 56.758 56.100 0.008 0.000 1.072 92 R CB -0.187 30.115 30.300 0.004 0.000 0.953 92 R HN 0.729 nan 8.270 nan 0.000 0.419 93 N N 0.955 119.655 118.700 0.001 0.000 2.929 93 N HA -0.250 4.490 4.740 -0.000 0.000 0.234 93 N C -1.003 174.504 175.510 -0.005 0.000 0.908 93 N CA 1.694 54.736 53.050 -0.014 0.000 0.993 93 N CB -0.921 37.547 38.487 -0.032 0.000 1.075 93 N HN 0.687 nan 8.380 nan 0.000 0.603 94 D N 1.371 121.777 120.400 0.009 0.000 2.502 94 D HA 0.108 4.748 4.640 -0.000 0.000 0.249 94 D C 0.119 176.436 176.300 0.029 0.000 1.188 94 D CA 0.235 54.246 54.000 0.018 0.000 0.890 94 D CB 0.579 41.391 40.800 0.020 0.000 1.140 94 D HN -0.027 nan 8.370 nan 0.000 0.505 95 V N 5.482 125.419 119.914 0.038 0.000 2.434 95 V HA -0.067 4.053 4.120 -0.000 0.000 0.281 95 V C 1.821 177.943 176.094 0.048 0.000 1.005 95 V CA 0.154 62.486 62.300 0.054 0.000 1.089 95 V CB -0.207 31.662 31.823 0.076 0.000 0.978 95 V HN 0.485 nan 8.190 nan 0.000 0.474 96 I N 4.021 124.624 120.570 0.054 0.000 2.617 96 I HA 0.227 4.397 4.170 -0.000 0.000 0.256 96 I C 0.327 176.479 176.117 0.058 0.000 1.167 96 I CA 0.750 62.084 61.300 0.057 0.000 1.469 96 I CB 0.038 38.081 38.000 0.071 0.000 1.098 96 I HN 0.516 nan 8.210 nan 0.000 0.436 97 L N -1.241 120.020 121.223 0.063 0.000 2.789 97 L HA 0.560 4.900 4.340 -0.000 0.000 0.254 97 L C -1.446 175.466 176.870 0.071 0.000 0.952 97 L CA -0.789 54.084 54.840 0.055 0.000 0.942 97 L CB 1.297 43.397 42.059 0.069 0.000 1.502 97 L HN 0.057 nan 8.230 nan 0.000 0.425 98 Q N 1.126 120.963 119.800 0.061 0.000 2.365 98 Q HA 0.913 5.253 4.340 -0.000 0.000 0.269 98 Q C -1.354 174.728 176.000 0.138 0.000 1.061 98 Q CA -1.167 54.694 55.803 0.098 0.000 0.816 98 Q CB 3.440 32.215 28.738 0.062 0.000 1.325 98 Q HN 0.604 nan 8.270 nan 0.000 0.446 99 V N 2.162 122.243 119.914 0.278 0.000 2.628 99 V HA 0.449 4.569 4.120 -0.000 0.000 0.306 99 V C -2.462 173.927 176.094 0.493 0.000 1.045 99 V CA -2.352 60.162 62.300 0.356 0.000 0.905 99 V CB 1.691 33.761 31.823 0.412 0.000 0.997 99 V HN 0.659 nan 8.190 nan 0.000 0.436 100 P HA 0.197 nan 4.420 nan 0.000 0.276 100 P C 0.397 177.371 177.300 -0.543 0.000 1.235 100 P CA -0.376 62.668 63.100 -0.092 0.000 0.772 100 P CB 0.626 32.263 31.700 -0.106 0.000 0.871 101 K N 3.764 123.444 120.400 -1.201 0.000 2.520 101 K HA -0.181 4.139 4.320 -0.000 0.000 0.197 101 K C 1.699 177.724 176.600 -0.957 0.000 1.043 101 K CA 0.771 55.681 56.287 -2.295 0.000 0.944 101 K CB -0.045 31.571 32.500 -1.473 0.000 0.770 101 K HN 0.247 nan 8.250 nan 0.000 0.480 102 R N 0.744 120.984 120.500 -0.433 0.000 2.237 102 R HA -0.076 4.263 4.340 -0.000 0.000 0.219 102 R C 0.975 177.358 176.300 0.139 0.000 1.080 102 R CA 0.899 56.924 56.100 -0.125 0.000 0.995 102 R CB 0.045 30.280 30.300 -0.109 0.000 0.875 102 R HN 0.283 nan 8.270 nan 0.000 0.462 103 L N -0.334 121.052 121.223 0.273 0.000 2.808 103 L HA 0.268 4.608 4.340 -0.000 0.000 0.246 103 L C 0.607 178.027 176.870 0.917 0.000 1.153 103 L CA -0.563 54.759 54.840 0.804 0.000 0.956 103 L CB 0.011 42.452 42.059 0.636 0.000 1.270 103 L HN 0.129 nan 8.230 nan 0.000 0.528 104 W N 0.611 122.041 121.300 0.217 0.000 1.741 104 W HA 0.238 4.898 4.660 -0.000 0.000 0.363 104 W C 0.425 176.850 176.519 -0.156 0.000 1.564 104 W CA -0.587 56.749 57.345 -0.015 0.000 1.688 104 W CB 0.799 30.246 29.460 -0.022 0.000 1.382 104 W HN -0.154 nan 8.180 nan 0.000 0.725 105 I N 2.302 122.889 120.570 0.028 0.000 2.826 105 I HA -0.051 4.119 4.170 -0.000 0.000 0.295 105 I C -0.508 175.526 176.117 -0.137 0.000 1.660 105 I CA -0.342 60.835 61.300 -0.205 0.000 0.766 105 I CB -0.324 37.468 38.000 -0.347 0.000 1.924 105 I HN 0.381 nan 8.210 nan 0.000 0.572 106 N N 1.626 120.282 118.700 -0.074 0.000 2.619 106 N HA 0.562 5.302 4.740 -0.000 0.000 0.294 106 N C -2.540 172.935 175.510 -0.059 0.000 1.279 106 N CA -1.688 51.346 53.050 -0.028 0.000 0.867 106 N CB 1.040 39.562 38.487 0.058 0.000 1.329 106 N HN -0.236 nan 8.380 nan 0.000 0.557 107 P HA -0.128 nan 4.420 nan 0.000 0.217 107 P C 0.364 177.661 177.300 -0.005 0.000 1.151 107 P CA 1.611 64.715 63.100 0.007 0.000 0.849 107 P CB 0.116 31.844 31.700 0.047 0.000 0.787 108 D N -1.574 118.838 120.400 0.019 0.000 2.218 108 D HA -0.084 4.556 4.640 -0.000 0.000 0.204 108 D C 1.892 178.193 176.300 0.003 0.000 0.976 108 D CA 1.258 55.275 54.000 0.029 0.000 0.853 108 D CB -0.490 40.347 40.800 0.063 0.000 0.939 108 D HN 0.095 nan 8.370 nan 0.000 0.481 109 A N -0.138 122.649 122.820 -0.056 0.000 1.984 109 A HA 0.019 4.339 4.320 -0.000 0.000 0.214 109 A C 2.264 179.716 177.584 -0.220 0.000 1.173 109 A CA 0.934 52.912 52.037 -0.098 0.000 0.673 109 A CB -0.394 18.537 19.000 -0.115 0.000 0.830 109 A HN 0.205 nan 8.150 nan 0.000 0.453 110 V N -2.514 117.199 119.914 -0.335 0.000 2.548 110 V HA 0.053 4.173 4.120 -0.000 0.000 0.249 110 V C 2.364 178.498 176.094 0.068 0.000 1.055 110 V CA 1.682 63.869 62.300 -0.188 0.000 1.065 110 V CB -1.151 30.626 31.823 -0.075 0.000 0.681 110 V HN 0.413 nan 8.190 nan 0.000 0.462 111 A N 0.541 123.383 122.820 0.036 0.000 2.067 111 A HA 0.310 4.630 4.320 -0.000 0.000 0.219 111 A C 2.246 179.877 177.584 0.079 0.000 1.158 111 A CA 1.699 53.775 52.037 0.066 0.000 0.661 111 A CB -0.676 18.353 19.000 0.049 0.000 0.801 111 A HN 1.048 nan 8.150 nan 0.000 0.452 112 A N -0.165 122.703 122.820 0.080 0.000 2.308 112 A HA 0.428 4.748 4.320 -0.000 0.000 0.217 112 A C 1.303 178.969 177.584 0.136 0.000 1.216 112 A CA 0.674 52.767 52.037 0.092 0.000 0.864 112 A CB -0.398 18.647 19.000 0.075 0.000 0.902 112 A HN 0.625 nan 8.150 nan 0.000 0.499 113 S N -0.992 114.826 115.700 0.197 0.000 2.738 113 S HA 0.359 4.829 4.470 -0.000 0.000 0.284 113 S C 0.579 175.280 174.600 0.168 0.000 1.146 113 S CA -0.234 58.117 58.200 0.251 0.000 0.997 113 S CB 0.654 64.152 63.200 0.496 0.000 1.081 113 S HN 0.321 nan 8.310 nan 0.000 0.553 114 E N 0.266 120.540 120.200 0.123 0.000 2.219 114 E HA -0.146 4.204 4.350 -0.000 0.000 0.198 114 E C 1.394 178.030 176.600 0.060 0.000 0.998 114 E CA 1.482 57.916 56.400 0.058 0.000 0.818 114 E CB -0.622 29.078 29.700 -0.000 0.000 0.741 114 E HN 0.751 nan 8.360 nan 0.000 0.477 115 I N -3.350 117.284 120.570 0.107 0.000 3.861 115 I HA 0.277 4.447 4.170 -0.000 0.000 0.329 115 I C 1.792 178.015 176.117 0.178 0.000 1.321 115 I CA 0.050 61.436 61.300 0.143 0.000 1.126 115 I CB 0.092 38.213 38.000 0.201 0.000 1.018 115 I HN -0.120 nan 8.210 nan 0.000 0.407 116 G N 1.922 110.814 108.800 0.153 0.000 2.442 116 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.219 116 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.219 116 G C 1.796 176.756 174.900 0.101 0.000 1.141 116 G CA 0.395 45.571 45.100 0.128 0.000 0.763 116 G HN 0.282 nan 8.290 nan 0.000 0.554 117 R N 0.313 120.867 120.500 0.090 0.000 2.060 117 R HA -0.052 4.288 4.340 -0.000 0.000 0.225 117 R C 2.952 179.300 176.300 0.080 0.000 1.155 117 R CA 1.556 57.700 56.100 0.073 0.000 0.930 117 R CB -1.559 28.779 30.300 0.062 0.000 0.829 117 R HN 0.464 nan 8.270 nan 0.000 0.433 118 V N -0.525 119.450 119.914 0.101 0.000 2.439 118 V HA -0.243 3.877 4.120 -0.000 0.000 0.253 118 V C 2.084 178.237 176.094 0.099 0.000 1.074 118 V CA 1.778 64.144 62.300 0.111 0.000 1.076 118 V CB -1.197 30.733 31.823 0.177 0.000 0.664 118 V HN 0.237 nan 8.190 nan 0.000 0.461 119 C N 1.428 120.797 119.300 0.115 0.000 2.673 119 C HA 0.225 4.685 4.460 -0.000 0.000 0.274 119 C C 2.958 177.985 174.990 0.061 0.000 1.276 119 C CA 0.210 59.283 59.018 0.092 0.000 1.701 119 C CB -1.615 26.208 27.740 0.137 0.000 1.836 119 C HN 0.830 nan 8.230 nan 0.000 0.596 120 S N 2.520 118.254 115.700 0.057 0.000 2.378 120 S HA -0.279 4.191 4.470 -0.000 0.000 0.229 120 S C 1.260 175.878 174.600 0.029 0.000 1.052 120 S CA 1.991 60.218 58.200 0.044 0.000 1.084 120 S CB -0.340 62.884 63.200 0.040 0.000 0.950 120 S HN 0.605 nan 8.310 nan 0.000 0.440 121 E N 0.872 121.083 120.200 0.018 0.000 2.479 121 E HA 0.408 4.758 4.350 -0.000 0.000 0.193 121 E C 0.157 176.751 176.600 -0.011 0.000 1.049 121 E CA -0.215 56.188 56.400 0.006 0.000 0.870 121 E CB -0.193 29.507 29.700 0.000 0.000 0.944 121 E HN 0.552 nan 8.360 nan 0.000 0.492 122 L N 1.231 122.445 121.223 -0.016 0.000 2.467 122 L HA 0.050 4.390 4.340 -0.000 0.000 0.270 122 L C 0.833 177.673 176.870 -0.050 0.000 1.205 122 L CA 0.142 54.950 54.840 -0.054 0.000 0.828 122 L CB 0.483 42.512 42.059 -0.050 0.000 1.101 122 L HN -0.061 nan 8.230 nan 0.000 0.479 123 K N 3.313 123.648 120.400 -0.108 0.000 2.219 123 K HA 0.083 4.403 4.320 -0.000 0.000 0.258 123 K C -1.321 175.272 176.600 -0.012 0.000 1.008 123 K CA -1.223 55.031 56.287 -0.056 0.000 0.928 123 K CB 0.576 33.019 32.500 -0.095 0.000 0.983 123 K HN 0.369 nan 8.250 nan 0.000 0.484 124 P HA -0.246 nan 4.420 nan 0.000 0.214 124 P C 1.226 178.672 177.300 0.244 0.000 1.172 124 P CA 2.011 65.220 63.100 0.181 0.000 0.925 124 P CB -0.337 31.495 31.700 0.221 0.000 0.793 125 W N 0.792 122.128 121.300 0.060 0.000 2.358 125 W HA -0.081 4.579 4.660 -0.000 0.000 0.303 125 W C 2.172 178.752 176.519 0.101 0.000 1.208 125 W CA 0.429 57.822 57.345 0.080 0.000 1.274 125 W CB -2.112 27.411 29.460 0.105 0.000 1.138 125 W HN -0.128 nan 8.180 nan 0.000 0.515 126 L N 1.394 122.468 121.223 -0.248 0.000 2.081 126 L HA -0.257 4.083 4.340 -0.000 0.000 0.212 126 L C 2.993 179.840 176.870 -0.038 0.000 1.080 126 L CA 2.003 56.647 54.840 -0.326 0.000 0.754 126 L CB -1.184 40.539 42.059 -0.559 0.000 0.893 126 L HN 0.033 nan 8.230 nan 0.000 0.433 127 S N -0.470 115.245 115.700 0.025 0.000 2.356 127 S HA -0.123 4.347 4.470 -0.000 0.000 0.223 127 S C 1.914 176.642 174.600 0.213 0.000 1.032 127 S CA 1.264 59.531 58.200 0.112 0.000 1.005 127 S CB -0.057 63.197 63.200 0.090 0.000 0.867 127 S HN 0.218 nan 8.310 nan 0.000 0.449 128 V N 1.940 121.978 119.914 0.207 0.000 2.515 128 V HA -0.102 4.018 4.120 -0.000 0.000 0.250 128 V C 2.120 178.420 176.094 0.345 0.000 1.058 128 V CA 1.273 63.728 62.300 0.259 0.000 1.064 128 V CB -0.688 31.247 31.823 0.186 0.000 0.675 128 V HN 0.455 nan 8.190 nan 0.000 0.461 129 I N -0.016 120.743 120.570 0.315 0.000 2.076 129 I HA -0.292 3.878 4.170 -0.000 0.000 0.237 129 I C 2.452 178.806 176.117 0.395 0.000 1.059 129 I CA 1.961 63.479 61.300 0.363 0.000 1.317 129 I CB -0.370 37.823 38.000 0.321 0.000 1.037 129 I HN 0.253 nan 8.210 nan 0.000 0.398 130 L N -0.380 121.043 121.223 0.334 0.000 2.013 130 L HA -0.279 4.061 4.340 -0.000 0.000 0.212 130 L C 2.640 179.758 176.870 0.414 0.000 1.073 130 L CA 1.550 56.596 54.840 0.343 0.000 0.753 130 L CB -0.858 41.358 42.059 0.261 0.000 0.890 130 L HN 0.202 nan 8.230 nan 0.000 0.432 131 F N 0.925 121.048 119.950 0.288 0.000 2.065 131 F HA -0.289 4.238 4.527 -0.000 0.000 0.298 131 F C 2.328 178.311 175.800 0.306 0.000 1.112 131 F CA 1.744 59.909 58.000 0.275 0.000 1.212 131 F CB -0.298 38.839 39.000 0.227 0.000 0.975 131 F HN -0.137 nan 8.300 nan 0.000 0.476 132 L N -0.042 121.486 121.223 0.508 0.000 2.013 132 L HA -0.290 4.050 4.340 -0.000 0.000 0.212 132 L C 2.467 179.619 176.870 0.471 0.000 1.073 132 L CA 1.734 56.923 54.840 0.581 0.000 0.753 132 L CB -0.784 41.630 42.059 0.591 0.000 0.890 132 L HN 0.230 nan 8.230 nan 0.000 0.432 133 I N -0.700 120.113 120.570 0.404 0.000 2.099 133 I HA -0.338 3.832 4.170 -0.000 0.000 0.239 133 I C 2.832 178.941 176.117 -0.015 0.000 1.066 133 I CA 1.382 62.797 61.300 0.191 0.000 1.324 133 I CB -0.460 37.653 38.000 0.189 0.000 1.037 133 I HN 0.238 nan 8.210 nan 0.000 0.401 134 R N 1.105 121.634 120.500 0.049 0.000 2.097 134 R HA -0.222 4.118 4.340 -0.000 0.000 0.236 134 R C 2.266 178.433 176.300 -0.222 0.000 1.135 134 R CA 1.881 57.949 56.100 -0.052 0.000 0.934 134 R CB -0.144 30.135 30.300 -0.035 0.000 0.846 134 R HN 0.257 nan 8.270 nan 0.000 0.431 135 E N 0.153 120.173 120.200 -0.301 0.000 2.209 135 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 135 E C 1.893 178.060 176.600 -0.721 0.000 0.993 135 E CA 0.836 57.031 56.400 -0.341 0.000 0.819 135 E CB -0.263 29.419 29.700 -0.029 0.000 0.745 135 E HN 0.383 nan 8.360 nan 0.000 0.477 136 R N 0.458 120.396 120.500 -0.937 0.000 2.148 136 R HA -0.039 4.301 4.340 -0.000 0.000 0.227 136 R C 2.095 178.083 176.300 -0.521 0.000 1.103 136 R CA 1.184 56.671 56.100 -1.021 0.000 0.983 136 R CB 0.179 30.030 30.300 -0.750 0.000 0.874 136 R HN 0.018 nan 8.270 nan 0.000 0.451 137 S N 0.373 115.852 115.700 -0.369 0.000 2.336 137 S HA 0.011 4.481 4.470 -0.000 0.000 0.216 137 S C 0.470 174.948 174.600 -0.203 0.000 1.032 137 S CA 0.438 58.492 58.200 -0.243 0.000 0.973 137 S CB -0.140 62.954 63.200 -0.177 0.000 0.888 137 S HN 0.320 nan 8.310 nan 0.000 0.455 138 R N 2.185 122.566 120.500 -0.197 0.000 2.494 138 R HA -0.011 4.329 4.340 -0.000 0.000 0.291 138 R C 0.509 176.729 176.300 -0.134 0.000 0.953 138 R CA 0.347 56.358 56.100 -0.148 0.000 1.098 138 R CB 0.080 30.300 30.300 -0.135 0.000 0.911 138 R HN 0.500 nan 8.270 nan 0.000 0.407 139 E N 1.604 121.743 120.200 -0.101 0.000 2.489 139 E HA -0.087 4.263 4.350 -0.000 0.000 0.193 139 E C 0.145 176.701 176.600 -0.073 0.000 1.057 139 E CA 0.424 56.774 56.400 -0.084 0.000 0.866 139 E CB 0.257 29.919 29.700 -0.063 0.000 0.916 139 E HN 0.599 nan 8.360 nan 0.000 0.500 140 D N -0.125 120.232 120.400 -0.073 0.000 2.535 140 D HA -0.007 4.633 4.640 -0.000 0.000 0.229 140 D C 0.289 176.547 176.300 -0.070 0.000 1.238 140 D CA -0.191 53.772 54.000 -0.061 0.000 0.824 140 D CB 0.070 40.844 40.800 -0.044 0.000 1.045 140 D HN -0.156 nan 8.370 nan 0.000 0.500 141 S N -0.013 115.641 115.700 -0.076 0.000 2.573 141 S HA 0.079 4.549 4.470 -0.000 0.000 0.277 141 S C 1.505 176.019 174.600 -0.144 0.000 1.346 141 S CA -0.431 57.736 58.200 -0.054 0.000 1.034 141 S CB 1.257 64.483 63.200 0.044 0.000 0.879 141 S HN 0.033 nan 8.310 nan 0.000 0.528 142 V N 3.030 122.748 119.914 -0.327 0.000 2.970 142 V HA -0.044 4.076 4.120 -0.000 0.000 0.260 142 V C 0.653 176.380 176.094 -0.612 0.000 1.100 142 V CA 1.066 63.080 62.300 -0.476 0.000 1.122 142 V CB -0.869 30.517 31.823 -0.730 0.000 0.721 142 V HN 0.918 nan 8.190 nan 0.000 0.483 143 W N -0.462 120.870 121.300 0.054 0.000 2.817 143 W HA 0.440 5.100 4.660 -0.000 0.000 0.433 143 W C 1.600 178.155 176.519 0.061 0.000 0.838 143 W CA -0.912 56.377 57.345 -0.092 0.000 2.356 143 W CB -0.378 29.270 29.460 0.314 0.000 1.216 143 W HN -0.018 nan 8.180 nan 0.000 0.793 144 K N 0.425 120.745 120.400 -0.134 0.000 2.032 144 K HA -0.210 4.110 4.320 -0.000 0.000 0.209 144 K C 1.620 178.145 176.600 -0.125 0.000 1.048 144 K CA 1.697 57.887 56.287 -0.162 0.000 0.927 144 K CB -0.076 32.161 32.500 -0.438 0.000 0.712 144 K HN 0.258 nan 8.250 nan 0.000 0.441 145 H N -1.472 117.604 119.070 0.011 0.000 2.529 145 H HA -0.095 4.461 4.556 -0.000 0.000 0.277 145 H C 1.652 177.177 175.328 0.328 0.000 0.999 145 H CA 0.927 57.093 56.048 0.197 0.000 1.256 145 H CB -0.146 29.786 29.762 0.284 0.000 1.402 145 H HN 0.336 nan 8.280 nan 0.000 0.566 146 Y N 0.991 121.383 120.300 0.154 0.000 2.176 146 Y HA -0.125 4.425 4.550 -0.000 0.000 0.291 146 Y C 1.916 177.688 175.900 -0.214 0.000 1.122 146 Y CA 0.936 58.975 58.100 -0.102 0.000 1.128 146 Y CB -0.822 37.654 38.460 0.028 0.000 1.005 146 Y HN -0.099 nan 8.280 nan 0.000 0.509 147 F N 0.252 120.115 119.950 -0.145 0.000 2.269 147 F HA -0.025 4.502 4.527 -0.000 0.000 0.301 147 F C 2.554 178.268 175.800 -0.143 0.000 1.082 147 F CA 1.319 59.209 58.000 -0.184 0.000 1.360 147 F CB -0.874 38.125 39.000 -0.003 0.000 1.041 147 F HN 0.167 nan 8.300 nan 0.000 0.512 148 G N -0.409 108.437 108.800 0.076 0.000 2.679 148 G HA2 -0.098 3.862 3.960 -0.000 0.000 0.212 148 G HA3 -0.098 3.862 3.960 -0.000 0.000 0.212 148 G C 1.493 176.369 174.900 -0.041 0.000 1.137 148 G CA 0.432 45.557 45.100 0.042 0.000 0.787 148 G HN 0.225 nan 8.290 nan 0.000 0.534 149 I N 0.286 120.745 120.570 -0.185 0.000 3.172 149 I HA 0.249 4.418 4.170 -0.000 0.000 0.278 149 I C 1.270 177.247 176.117 -0.234 0.000 1.174 149 I CA -0.090 61.051 61.300 -0.265 0.000 1.445 149 I CB -0.673 36.995 38.000 -0.553 0.000 1.175 149 I HN 0.011 nan 8.210 nan 0.000 0.447 150 L N 3.513 124.561 121.223 -0.292 0.000 2.540 150 L HA 0.035 4.375 4.340 -0.000 0.000 0.276 150 L C -1.914 174.969 176.870 0.022 0.000 1.212 150 L CA -1.098 53.641 54.840 -0.167 0.000 0.893 150 L CB -0.450 41.522 42.059 -0.145 0.000 1.138 150 L HN -0.085 nan 8.230 nan 0.000 0.491 151 P HA 0.049 nan 4.420 nan 0.000 0.271 151 P C 0.143 177.543 177.300 0.166 0.000 1.226 151 P CA -0.142 62.998 63.100 0.067 0.000 0.765 151 P CB 0.615 32.343 31.700 0.046 0.000 0.835 152 Q N 1.034 120.931 119.800 0.162 0.000 2.291 152 Q HA -0.116 4.224 4.340 -0.000 0.000 0.206 152 Q C 0.503 176.586 176.000 0.138 0.000 0.976 152 Q CA 1.297 57.239 55.803 0.231 0.000 0.875 152 Q CB 0.254 29.035 28.738 0.072 0.000 0.927 152 Q HN 0.590 nan 8.270 nan 0.000 0.450 153 E N -1.089 119.113 120.200 0.003 0.000 2.430 153 E HA 0.235 4.585 4.350 -0.000 0.000 0.279 153 E C -1.208 175.407 176.600 0.026 0.000 1.003 153 E CA -0.308 55.977 56.400 -0.191 0.000 0.801 153 E CB 1.981 31.513 29.700 -0.279 0.000 1.313 153 E HN 0.079 nan 8.360 nan 0.000 0.459 154 T N -2.110 112.562 114.554 0.196 0.000 2.693 154 T HA 0.358 4.708 4.350 -0.000 0.000 0.278 154 T C -0.126 174.817 174.700 0.406 0.000 0.994 154 T CA -0.678 61.605 62.100 0.304 0.000 1.033 154 T CB 0.971 70.031 68.868 0.320 0.000 1.342 154 T HN 0.260 nan 8.240 nan 0.000 0.538 155 D N 0.990 121.605 120.400 0.358 0.000 2.325 155 D HA 0.175 4.814 4.640 -0.000 0.000 0.225 155 D C 0.774 177.369 176.300 0.492 0.000 1.096 155 D CA 0.170 54.433 54.000 0.438 0.000 0.844 155 D CB 0.198 41.212 40.800 0.357 0.000 0.925 155 D HN 0.523 nan 8.370 nan 0.000 0.513 156 S N 0.293 116.151 115.700 0.264 0.000 2.558 156 S HA -0.037 4.433 4.470 -0.000 0.000 0.288 156 S C 1.798 176.252 174.600 -0.242 0.000 1.318 156 S CA 0.131 58.294 58.200 -0.062 0.000 1.056 156 S CB 0.899 63.949 63.200 -0.250 0.000 0.853 156 S HN 0.309 nan 8.310 nan 0.000 0.505 157 T N 3.131 117.290 114.554 -0.659 0.000 3.025 157 T HA -0.131 4.219 4.350 -0.000 0.000 0.270 157 T C 1.721 176.051 174.700 -0.617 0.000 1.126 157 T CA 1.316 62.703 62.100 -1.190 0.000 1.105 157 T CB -0.932 67.240 68.868 -1.160 0.000 0.884 157 T HN 0.818 nan 8.240 nan 0.000 0.522 158 I N -2.698 117.530 120.570 -0.570 0.000 3.083 158 I HA 0.025 4.195 4.170 -0.000 0.000 0.273 158 I C 1.542 177.375 176.117 -0.473 0.000 1.297 158 I CA 0.931 61.853 61.300 -0.630 0.000 1.452 158 I CB -0.707 36.804 38.000 -0.814 0.000 1.078 158 I HN 0.188 nan 8.210 nan 0.000 0.484 159 Y N -1.083 119.218 120.300 0.001 0.000 2.444 159 Y HA 0.230 4.780 4.550 -0.000 0.000 0.252 159 Y C 0.608 176.669 175.900 0.269 0.000 1.091 159 Y CA -1.242 56.939 58.100 0.135 0.000 1.276 159 Y CB 0.072 38.641 38.460 0.181 0.000 1.170 159 Y HN 0.060 nan 8.280 nan 0.000 0.517 160 W N 3.260 124.622 121.300 0.104 0.000 2.343 160 W HA 0.055 4.715 4.660 -0.000 0.000 0.337 160 W C 1.180 177.733 176.519 0.056 0.000 1.320 160 W CA -0.387 56.999 57.345 0.068 0.000 1.290 160 W CB 0.061 29.536 29.460 0.026 0.000 1.206 160 W HN -0.006 nan 8.180 nan 0.000 0.565 161 S N 1.339 117.177 115.700 0.230 0.000 2.641 161 S HA -0.048 4.422 4.470 -0.000 0.000 0.251 161 S C 1.171 175.856 174.600 0.142 0.000 1.332 161 S CA 0.259 58.545 58.200 0.143 0.000 0.968 161 S CB 0.751 63.994 63.200 0.071 0.000 0.987 161 S HN 0.517 nan 8.310 nan 0.000 0.587 162 E N 0.566 120.822 120.200 0.094 0.000 2.107 162 E HA -0.073 4.277 4.350 -0.000 0.000 0.191 162 E C 1.701 178.338 176.600 0.062 0.000 0.982 162 E CA 1.618 58.064 56.400 0.076 0.000 0.809 162 E CB -0.446 29.285 29.700 0.051 0.000 0.756 162 E HN 0.762 nan 8.360 nan 0.000 0.459 163 E N 0.625 120.851 120.200 0.042 0.000 2.047 163 E HA -0.135 4.215 4.350 -0.000 0.000 0.191 163 E C 2.037 178.651 176.600 0.024 0.000 0.987 163 E CA 1.423 57.833 56.400 0.017 0.000 0.799 163 E CB -0.255 29.445 29.700 -0.000 0.000 0.752 163 E HN 0.368 nan 8.360 nan 0.000 0.449 164 E N 0.629 120.840 120.200 0.018 0.000 2.097 164 E HA -0.181 4.169 4.350 -0.000 0.000 0.196 164 E C 2.014 178.744 176.600 0.216 0.000 1.000 164 E CA 0.949 57.331 56.400 -0.031 0.000 0.804 164 E CB -0.228 29.356 29.700 -0.194 0.000 0.740 164 E HN 0.203 nan 8.360 nan 0.000 0.454 165 L N 0.774 122.181 121.223 0.306 0.000 2.265 165 L HA -0.206 4.134 4.340 -0.000 0.000 0.215 165 L C 2.294 179.263 176.870 0.166 0.000 1.117 165 L CA 0.892 55.921 54.840 0.315 0.000 0.782 165 L CB -0.202 41.967 42.059 0.184 0.000 0.914 165 L HN 0.164 nan 8.230 nan 0.000 0.441 166 Q N -0.573 119.278 119.800 0.085 0.000 2.369 166 Q HA -0.205 4.135 4.340 -0.000 0.000 0.206 166 Q C 1.697 177.675 176.000 -0.038 0.000 0.963 166 Q CA 0.713 56.507 55.803 -0.015 0.000 0.894 166 Q CB 0.139 28.839 28.738 -0.063 0.000 0.965 166 Q HN 0.291 nan 8.270 nan 0.000 0.475 167 E N 0.219 120.477 120.200 0.096 0.000 2.427 167 E HA -0.019 4.331 4.350 -0.000 0.000 0.196 167 E C 0.719 177.489 176.600 0.285 0.000 1.028 167 E CA 0.493 57.010 56.400 0.196 0.000 0.864 167 E CB 0.284 30.088 29.700 0.175 0.000 0.813 167 E HN 0.264 nan 8.360 nan 0.000 0.514 168 L N 0.657 122.021 121.223 0.236 0.000 2.700 168 L HA 0.200 4.540 4.340 -0.000 0.000 0.234 168 L C 0.603 177.535 176.870 0.103 0.000 1.156 168 L CA -0.295 54.663 54.840 0.197 0.000 0.946 168 L CB 0.049 42.192 42.059 0.139 0.000 1.216 168 L HN 0.096 nan 8.230 nan 0.000 0.493 169 Q N 0.922 120.765 119.800 0.072 0.000 2.304 169 Q HA -0.015 4.325 4.340 -0.000 0.000 0.315 169 Q C 1.283 177.213 176.000 -0.118 0.000 1.075 169 Q CA 1.255 57.045 55.803 -0.021 0.000 0.988 169 Q CB 0.433 29.131 28.738 -0.068 0.000 1.146 169 Q HN 0.450 nan 8.270 nan 0.000 0.383 170 G N 2.640 111.301 108.800 -0.231 0.000 2.212 170 G HA2 -0.352 3.608 3.960 -0.000 0.000 0.266 170 G HA3 -0.352 3.608 3.960 -0.000 0.000 0.266 170 G C 0.084 174.603 174.900 -0.634 0.000 0.978 170 G CA 0.503 45.300 45.100 -0.505 0.000 0.632 170 G HN 1.101 nan 8.290 nan 0.000 0.537 171 S N -0.477 115.047 115.700 -0.293 0.000 2.584 171 S HA 0.542 5.011 4.470 -0.000 0.000 0.273 171 S C 1.118 175.705 174.600 -0.022 0.000 1.311 171 S CA 0.645 58.838 58.200 -0.011 0.000 1.034 171 S CB 1.948 65.226 63.200 0.131 0.000 0.939 171 S HN 0.501 nan 8.310 nan 0.000 0.513 172 Q N 0.430 120.240 119.800 0.016 0.000 2.119 172 Q HA -0.110 4.230 4.340 -0.000 0.000 0.201 172 Q C 1.820 177.733 176.000 -0.146 0.000 0.972 172 Q CA 1.242 56.964 55.803 -0.135 0.000 0.847 172 Q CB -0.285 28.215 28.738 -0.397 0.000 0.903 172 Q HN 0.835 nan 8.270 nan 0.000 0.433 173 L N 0.616 121.768 121.223 -0.118 0.000 2.042 173 L HA -0.192 4.148 4.340 -0.000 0.000 0.210 173 L C 2.060 178.825 176.870 -0.175 0.000 1.076 173 L CA 1.471 56.217 54.840 -0.158 0.000 0.749 173 L CB -0.773 41.199 42.059 -0.145 0.000 0.893 173 L HN 0.373 nan 8.230 nan 0.000 0.432 174 L N -0.230 120.914 121.223 -0.131 0.000 1.989 174 L HA -0.227 4.113 4.340 -0.000 0.000 0.211 174 L C 2.475 179.270 176.870 -0.126 0.000 1.071 174 L CA 1.914 56.678 54.840 -0.128 0.000 0.749 174 L CB -0.898 41.114 42.059 -0.078 0.000 0.890 174 L HN 0.303 nan 8.230 nan 0.000 0.431 175 K N -1.128 119.206 120.400 -0.110 0.000 2.000 175 K HA -0.211 4.109 4.320 -0.000 0.000 0.218 175 K C 1.892 178.419 176.600 -0.122 0.000 1.053 175 K CA 2.333 58.560 56.287 -0.100 0.000 0.946 175 K CB -0.966 31.479 32.500 -0.092 0.000 0.723 175 K HN 0.386 nan 8.250 nan 0.000 0.446 176 T N 1.074 115.537 114.554 -0.150 0.000 2.653 176 T HA -0.224 4.126 4.350 -0.000 0.000 0.268 176 T C 2.178 176.774 174.700 -0.175 0.000 1.035 176 T CA 2.425 64.423 62.100 -0.171 0.000 1.154 176 T CB -0.793 67.956 68.868 -0.199 0.000 0.862 176 T HN 0.599 nan 8.240 nan 0.000 0.441 177 T N 0.788 115.221 114.554 -0.201 0.000 2.759 177 T HA -0.108 4.242 4.350 -0.000 0.000 0.269 177 T C 2.005 176.597 174.700 -0.180 0.000 1.042 177 T CA 1.318 63.280 62.100 -0.229 0.000 1.140 177 T CB -0.984 67.701 68.868 -0.305 0.000 0.864 177 T HN 0.235 nan 8.240 nan 0.000 0.455 178 V N 1.925 121.758 119.914 -0.135 0.000 2.223 178 V HA -0.195 3.925 4.120 -0.000 0.000 0.244 178 V C 3.089 179.145 176.094 -0.063 0.000 1.045 178 V CA 2.182 64.430 62.300 -0.087 0.000 1.000 178 V CB -1.265 30.522 31.823 -0.060 0.000 0.635 178 V HN 0.546 nan 8.190 nan 0.000 0.445 179 S N 0.230 115.891 115.700 -0.065 0.000 2.380 179 S HA -0.258 4.212 4.470 -0.000 0.000 0.229 179 S C 1.987 176.571 174.600 -0.026 0.000 1.050 179 S CA 1.996 60.170 58.200 -0.044 0.000 1.100 179 S CB -0.597 62.556 63.200 -0.079 0.000 0.984 179 S HN 0.376 nan 8.310 nan 0.000 0.434 180 V N 1.873 121.741 119.914 -0.077 0.000 2.287 180 V HA -0.222 3.897 4.120 -0.000 0.000 0.248 180 V C 2.337 178.399 176.094 -0.053 0.000 1.053 180 V CA 1.777 64.035 62.300 -0.070 0.000 1.027 180 V CB -0.647 31.112 31.823 -0.107 0.000 0.646 180 V HN 0.418 nan 8.190 nan 0.000 0.447 181 K N -0.165 120.176 120.400 -0.098 0.000 2.032 181 K HA -0.262 4.058 4.320 -0.000 0.000 0.209 181 K C 2.261 178.964 176.600 0.171 0.000 1.048 181 K CA 2.002 58.253 56.287 -0.061 0.000 0.927 181 K CB -0.207 32.204 32.500 -0.149 0.000 0.712 181 K HN 0.594 nan 8.250 nan 0.000 0.441 182 E N 0.164 120.422 120.200 0.097 0.000 2.012 182 E HA -0.269 4.081 4.350 -0.000 0.000 0.197 182 E C 1.984 178.637 176.600 0.090 0.000 1.007 182 E CA 1.502 57.959 56.400 0.095 0.000 0.816 182 E CB -0.282 29.456 29.700 0.064 0.000 0.762 182 E HN 0.280 nan 8.360 nan 0.000 0.451 183 Y N 1.149 121.439 120.300 -0.017 0.000 2.014 183 Y HA -0.348 4.202 4.550 -0.000 0.000 0.272 183 Y C 2.217 178.104 175.900 -0.021 0.000 1.164 183 Y CA 2.217 60.307 58.100 -0.016 0.000 1.114 183 Y CB -0.806 37.646 38.460 -0.014 0.000 0.961 183 Y HN -0.031 nan 8.280 nan 0.000 0.489 184 V N 1.336 121.274 119.914 0.040 0.000 2.313 184 V HA -0.432 3.688 4.120 -0.000 0.000 0.253 184 V C 2.500 178.445 176.094 -0.249 0.000 1.070 184 V CA 2.476 64.712 62.300 -0.106 0.000 1.057 184 V CB -0.961 30.741 31.823 -0.203 0.000 0.653 184 V HN 0.458 nan 8.190 nan 0.000 0.450 185 K N 0.220 120.528 120.400 -0.152 0.000 1.987 185 K HA -0.277 4.043 4.320 -0.000 0.000 0.216 185 K C 2.103 178.535 176.600 -0.279 0.000 1.051 185 K CA 2.227 58.370 56.287 -0.241 0.000 0.942 185 K CB -0.325 32.127 32.500 -0.079 0.000 0.722 185 K HN 0.530 nan 8.250 nan 0.000 0.444 186 N N 1.294 119.850 118.700 -0.239 0.000 2.011 186 N HA -0.204 4.536 4.740 -0.000 0.000 0.199 186 N C 1.590 176.888 175.510 -0.354 0.000 1.047 186 N CA 1.695 54.592 53.050 -0.255 0.000 0.863 186 N CB -0.768 37.581 38.487 -0.230 0.000 1.056 186 N HN 0.318 nan 8.380 nan 0.000 0.427 187 E N 0.452 120.358 120.200 -0.490 0.000 2.187 187 E HA -0.143 4.207 4.350 -0.000 0.000 0.199 187 E C 2.062 178.324 176.600 -0.564 0.000 1.004 187 E CA 0.601 56.678 56.400 -0.540 0.000 0.813 187 E CB -0.674 28.614 29.700 -0.687 0.000 0.736 187 E HN 0.409 nan 8.360 nan 0.000 0.468 188 C N 0.167 119.079 119.300 -0.647 0.000 2.468 188 C HA 0.084 4.544 4.460 -0.000 0.000 0.277 188 C C 2.673 177.246 174.990 -0.696 0.000 1.400 188 C CA -0.069 58.322 59.018 -1.045 0.000 1.770 188 C CB -0.854 25.969 27.740 -1.528 0.000 1.905 188 C HN 0.347 nan 8.230 nan 0.000 0.519 189 L N 0.168 121.170 121.223 -0.370 0.000 2.209 189 L HA -0.028 4.312 4.340 -0.000 0.000 0.207 189 L C 2.437 179.209 176.870 -0.162 0.000 1.094 189 L CA 1.168 55.906 54.840 -0.171 0.000 0.790 189 L CB -0.429 41.553 42.059 -0.129 0.000 0.932 189 L HN 0.309 nan 8.230 nan 0.000 0.447 190 K N 0.111 120.381 120.400 -0.217 0.000 2.217 190 K HA -0.065 4.255 4.320 -0.000 0.000 0.202 190 K C 2.059 178.552 176.600 -0.178 0.000 1.051 190 K CA 0.844 57.024 56.287 -0.178 0.000 0.952 190 K CB 0.036 32.421 32.500 -0.192 0.000 0.736 190 K HN 0.245 nan 8.250 nan 0.000 0.453 191 L N 0.980 122.060 121.223 -0.238 0.000 2.056 191 L HA -0.178 4.162 4.340 -0.000 0.000 0.207 191 L C 2.636 179.422 176.870 -0.139 0.000 1.078 191 L CA 1.272 55.985 54.840 -0.212 0.000 0.749 191 L CB -0.267 41.621 42.059 -0.285 0.000 0.901 191 L HN 0.291 nan 8.230 nan 0.000 0.433 192 E N 0.386 120.547 120.200 -0.066 0.000 2.023 192 E HA -0.320 4.030 4.350 -0.000 0.000 0.196 192 E C 2.109 178.669 176.600 -0.066 0.000 1.003 192 E CA 1.852 58.235 56.400 -0.028 0.000 0.809 192 E CB -0.061 29.672 29.700 0.055 0.000 0.755 192 E HN 0.603 nan 8.360 nan 0.000 0.449 193 Q N -0.151 119.613 119.800 -0.060 0.000 2.226 193 Q HA -0.158 4.182 4.340 -0.000 0.000 0.204 193 Q C 1.349 177.315 176.000 -0.056 0.000 0.975 193 Q CA 1.740 57.511 55.803 -0.053 0.000 0.866 193 Q CB -0.034 28.673 28.738 -0.052 0.000 0.915 193 Q HN 0.343 nan 8.270 nan 0.000 0.440 194 E N -0.910 119.245 120.200 -0.075 0.000 2.489 194 E HA 0.159 4.509 4.350 -0.000 0.000 0.204 194 E C 0.424 176.986 176.600 -0.062 0.000 1.006 194 E CA 0.047 56.408 56.400 -0.065 0.000 0.936 194 E CB 0.636 30.291 29.700 -0.074 0.000 1.002 194 E HN 0.333 nan 8.360 nan 0.000 0.488 195 I N -0.944 119.567 120.570 -0.097 0.000 4.079 195 I HA 0.004 4.174 4.170 -0.000 0.000 0.276 195 I C 1.585 177.587 176.117 -0.192 0.000 1.146 195 I CA 0.105 61.340 61.300 -0.108 0.000 1.324 195 I CB 0.197 38.108 38.000 -0.148 0.000 1.638 195 I HN -0.049 nan 8.210 nan 0.000 0.436 196 I N 0.679 121.025 120.570 -0.373 0.000 2.179 196 I HA -0.248 3.922 4.170 -0.000 0.000 0.242 196 I C 2.235 178.311 176.117 -0.068 0.000 1.088 196 I CA 1.684 62.694 61.300 -0.483 0.000 1.357 196 I CB -0.311 37.444 38.000 -0.408 0.000 1.051 196 I HN 0.156 nan 8.210 nan 0.000 0.409 197 L N 0.164 121.360 121.223 -0.046 0.000 2.068 197 L HA -0.053 4.287 4.340 -0.000 0.000 0.204 197 L C -0.032 176.858 176.870 0.033 0.000 1.076 197 L CA 1.171 56.014 54.840 0.004 0.000 0.753 197 L CB -1.994 40.057 42.059 -0.014 0.000 0.910 197 L HN 0.135 nan 8.230 nan 0.000 0.439 198 P HA -0.150 nan 4.420 nan 0.000 0.214 198 P C 0.134 177.478 177.300 0.073 0.000 1.163 198 P CA 1.278 64.401 63.100 0.039 0.000 0.889 198 P CB -0.041 31.677 31.700 0.029 0.000 0.790 199 N N 0.533 119.312 118.700 0.130 0.000 3.303 199 N HA 0.009 4.749 4.740 -0.000 0.000 0.304 199 N C 0.844 176.481 175.510 0.211 0.000 1.302 199 N CA 0.074 53.232 53.050 0.179 0.000 1.213 199 N CB -0.060 38.594 38.487 0.279 0.000 1.481 199 N HN 0.437 nan 8.380 nan 0.000 0.546 200 K N -0.281 120.193 120.400 0.123 0.000 2.585 200 K HA -0.103 4.216 4.320 -0.000 0.000 0.194 200 K C 1.599 178.233 176.600 0.057 0.000 1.037 200 K CA 0.582 56.929 56.287 0.100 0.000 0.964 200 K CB 0.322 32.855 32.500 0.054 0.000 0.787 200 K HN 0.158 nan 8.250 nan 0.000 0.488 201 R N 0.993 121.513 120.500 0.034 0.000 2.140 201 R HA 0.097 4.437 4.340 -0.000 0.000 0.213 201 R C 1.803 178.046 176.300 -0.094 0.000 1.059 201 R CA 0.380 56.468 56.100 -0.021 0.000 1.000 201 R CB 0.036 30.327 30.300 -0.016 0.000 0.910 201 R HN 0.260 nan 8.270 nan 0.000 0.455 202 L N -0.251 120.871 121.223 -0.169 0.000 2.307 202 L HA 0.163 4.503 4.340 -0.000 0.000 0.211 202 L C 0.018 176.440 176.870 -0.747 0.000 1.099 202 L CA 0.368 54.916 54.840 -0.486 0.000 0.816 202 L CB 0.295 41.949 42.059 -0.677 0.000 0.952 202 L HN 0.041 nan 8.230 nan 0.000 0.455 203 F N -0.636 119.304 119.950 -0.016 0.000 2.449 203 F HA 0.336 4.863 4.527 -0.000 0.000 0.344 203 F C -1.764 174.013 175.800 -0.039 0.000 1.180 203 F CA -1.802 56.180 58.000 -0.030 0.000 1.209 203 F CB 0.282 39.271 39.000 -0.018 0.000 1.440 203 F HN -0.213 nan 8.300 nan 0.000 0.526 204 P HA -0.091 nan 4.420 nan 0.000 0.215 204 P C -0.154 177.149 177.300 0.006 0.000 1.157 204 P CA 1.293 64.397 63.100 0.007 0.000 0.863 204 P CB 0.266 31.946 31.700 -0.034 0.000 0.787 205 D N -0.126 120.271 120.400 -0.004 0.000 2.313 205 D HA 0.215 4.855 4.640 -0.000 0.000 0.247 205 D C -2.159 174.124 176.300 -0.029 0.000 1.094 205 D CA -1.306 52.676 54.000 -0.031 0.000 0.925 205 D CB -0.179 40.584 40.800 -0.063 0.000 1.188 205 D HN 0.034 nan 8.370 nan 0.000 0.430 206 P HA 0.130 nan 4.420 nan 0.000 0.275 206 P C -0.705 176.517 177.300 -0.130 0.000 1.228 206 P CA -0.369 62.686 63.100 -0.075 0.000 0.786 206 P CB 0.776 32.433 31.700 -0.072 0.000 0.927 207 V N 2.193 121.998 119.914 -0.181 0.000 2.378 207 V HA 0.344 4.464 4.120 -0.000 0.000 0.288 207 V C 0.566 176.422 176.094 -0.396 0.000 1.016 207 V CA -0.541 61.558 62.300 -0.335 0.000 0.840 207 V CB 1.059 32.611 31.823 -0.451 0.000 0.994 207 V HN 0.696 nan 8.190 nan 0.000 0.431 208 T N 1.894 116.233 114.554 -0.359 0.000 2.902 208 T HA 0.479 4.829 4.350 -0.000 0.000 0.280 208 T C 1.225 175.730 174.700 -0.326 0.000 0.992 208 T CA -0.553 61.391 62.100 -0.260 0.000 1.015 208 T CB 1.485 70.265 68.868 -0.147 0.000 1.044 208 T HN 0.357 nan 8.240 nan 0.000 0.520 209 L N 0.376 121.520 121.223 -0.131 0.000 2.013 209 L HA -0.170 4.170 4.340 -0.000 0.000 0.212 209 L C 2.229 179.081 176.870 -0.030 0.000 1.073 209 L CA 2.028 56.838 54.840 -0.051 0.000 0.753 209 L CB -0.621 41.393 42.059 -0.074 0.000 0.890 209 L HN 0.776 nan 8.230 nan 0.000 0.432 210 D N 0.076 120.502 120.400 0.042 0.000 2.154 210 D HA -0.263 4.376 4.640 -0.000 0.000 0.190 210 D C 1.832 178.254 176.300 0.204 0.000 1.003 210 D CA 1.745 55.849 54.000 0.172 0.000 0.849 210 D CB -0.286 40.566 40.800 0.087 0.000 0.942 210 D HN 0.378 nan 8.370 nan 0.000 0.446 211 D N -0.759 119.644 120.400 0.004 0.000 2.158 211 D HA -0.160 4.480 4.640 -0.000 0.000 0.197 211 D C 2.127 178.599 176.300 0.287 0.000 0.995 211 D CA 0.681 54.685 54.000 0.008 0.000 0.846 211 D CB -0.327 40.315 40.800 -0.263 0.000 0.941 211 D HN 0.306 nan 8.370 nan 0.000 0.456 212 F N 0.359 120.416 119.950 0.178 0.000 2.014 212 F HA -0.171 4.356 4.527 -0.000 0.000 0.295 212 F C 2.521 178.546 175.800 0.375 0.000 1.145 212 F CA 0.695 58.793 58.000 0.165 0.000 1.178 212 F CB -0.608 38.325 39.000 -0.112 0.000 0.972 212 F HN -0.103 nan 8.300 nan 0.000 0.476 213 F N -1.062 119.206 119.950 0.530 0.000 2.147 213 F HA -0.342 4.185 4.527 -0.000 0.000 0.301 213 F C 2.326 178.499 175.800 0.622 0.000 1.084 213 F CA 1.081 59.383 58.000 0.504 0.000 1.268 213 F CB -0.640 38.639 39.000 0.465 0.000 1.009 213 F HN 0.215 nan 8.300 nan 0.000 0.486 214 W N 1.187 122.829 121.300 0.569 0.000 2.332 214 W HA -0.296 4.364 4.660 -0.000 0.000 0.321 214 W C 2.455 179.197 176.519 0.373 0.000 1.219 214 W CA 2.269 59.847 57.345 0.388 0.000 1.277 214 W CB -0.707 28.876 29.460 0.206 0.000 1.161 214 W HN -0.056 nan 8.180 nan 0.000 0.476 215 A N -0.153 122.986 122.820 0.532 0.000 1.902 215 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 215 A C 1.980 179.673 177.584 0.182 0.000 1.181 215 A CA 1.630 53.782 52.037 0.192 0.000 0.623 215 A CB -1.545 17.791 19.000 0.560 0.000 0.818 215 A HN 0.544 nan 8.150 nan 0.000 0.443 216 F N 1.187 121.281 119.950 0.240 0.000 2.069 216 F HA -0.057 4.470 4.527 -0.000 0.000 0.298 216 F C 2.350 178.170 175.800 0.033 0.000 1.113 216 F CA 1.704 59.820 58.000 0.193 0.000 1.214 216 F CB -0.886 38.299 39.000 0.309 0.000 0.978 216 F HN 0.200 nan 8.300 nan 0.000 0.474 217 G N 1.372 110.247 108.800 0.125 0.000 2.476 217 G HA2 -0.276 3.684 3.960 -0.000 0.000 0.218 217 G HA3 -0.276 3.684 3.960 -0.000 0.000 0.218 217 G C 1.699 176.465 174.900 -0.223 0.000 1.164 217 G CA 1.194 46.242 45.100 -0.087 0.000 0.768 217 G HN 0.391 nan 8.290 nan 0.000 0.560 218 I N 0.299 120.706 120.570 -0.273 0.000 2.194 218 I HA -0.139 4.031 4.170 -0.000 0.000 0.246 218 I C 2.755 178.712 176.117 -0.267 0.000 1.093 218 I CA 0.908 61.999 61.300 -0.349 0.000 1.355 218 I CB -1.121 36.512 38.000 -0.613 0.000 1.046 218 I HN 0.095 nan 8.210 nan 0.000 0.413 219 L N 0.598 121.666 121.223 -0.260 0.000 1.976 219 L HA -0.146 4.194 4.340 -0.000 0.000 0.209 219 L C 2.726 179.374 176.870 -0.370 0.000 1.071 219 L CA 1.786 56.475 54.840 -0.252 0.000 0.746 219 L CB -0.776 41.167 42.059 -0.192 0.000 0.890 219 L HN 0.132 nan 8.230 nan 0.000 0.432 220 R N -0.700 119.454 120.500 -0.577 0.000 2.159 220 R HA -0.084 4.256 4.340 -0.000 0.000 0.237 220 R C 1.900 177.872 176.300 -0.547 0.000 1.131 220 R CA 1.434 57.147 56.100 -0.644 0.000 0.982 220 R CB -0.428 29.351 30.300 -0.868 0.000 0.868 220 R HN 0.598 nan 8.270 nan 0.000 0.453 221 S N -1.330 114.149 115.700 -0.369 0.000 2.559 221 S HA 0.223 4.693 4.470 -0.000 0.000 0.226 221 S C 1.132 175.683 174.600 -0.082 0.000 1.000 221 S CA -0.548 57.560 58.200 -0.154 0.000 0.948 221 S CB 0.566 63.763 63.200 -0.005 0.000 0.870 221 S HN 0.196 nan 8.310 nan 0.000 0.497 222 R N 0.361 120.740 120.500 -0.203 0.000 2.539 222 R HA 0.432 4.772 4.340 -0.000 0.000 0.342 222 R C -0.088 176.036 176.300 -0.294 0.000 0.941 222 R CA 0.228 56.195 56.100 -0.222 0.000 1.146 222 R CB 1.078 31.310 30.300 -0.114 0.000 1.541 222 R HN 0.341 nan 8.270 nan 0.000 0.525 223 A N 1.057 123.696 122.820 -0.301 0.000 2.309 223 A HA 0.542 4.862 4.320 -0.000 0.000 0.298 223 A C -0.658 176.745 177.584 -0.301 0.000 1.165 223 A CA -0.186 51.718 52.037 -0.221 0.000 0.821 223 A CB 0.054 18.950 19.000 -0.173 0.000 1.102 223 A HN 0.162 nan 8.150 nan 0.000 0.500 224 F N 2.430 122.289 119.950 -0.153 0.000 2.329 224 F HA 0.207 4.734 4.527 -0.000 0.000 0.362 224 F C 1.385 177.152 175.800 -0.055 0.000 1.113 224 F CA -0.166 57.788 58.000 -0.076 0.000 1.212 224 F CB 0.932 39.907 39.000 -0.043 0.000 1.509 224 F HN 0.565 nan 8.300 nan 0.000 0.546 225 S N 0.696 116.429 115.700 0.055 0.000 2.840 225 S HA 0.154 4.624 4.470 -0.000 0.000 0.235 225 S C 0.560 175.192 174.600 0.053 0.000 0.968 225 S CA -0.530 57.688 58.200 0.029 0.000 1.026 225 S CB -0.517 62.663 63.200 -0.033 0.000 0.788 225 S HN 0.437 nan 8.310 nan 0.000 0.487 226 R N 1.253 121.821 120.500 0.113 0.000 2.352 226 R HA 0.584 4.924 4.340 -0.000 0.000 0.304 226 R C -1.140 175.220 176.300 0.101 0.000 1.104 226 R CA -0.362 55.791 56.100 0.088 0.000 0.991 226 R CB 0.030 30.379 30.300 0.081 0.000 1.140 226 R HN 0.219 nan 8.270 nan 0.000 0.540 232 L N 1.042 122.273 121.223 0.014 0.000 2.508 232 L HA 0.387 4.727 4.340 -0.000 0.000 0.276 232 L C -1.184 175.678 176.870 -0.013 0.000 1.456 232 L CA -0.260 54.578 54.840 -0.003 0.000 0.693 232 L CB 1.202 43.278 42.059 0.027 0.000 0.965 232 L HN -0.191 nan 8.230 nan 0.000 0.517 233 V N 0.067 119.959 119.914 -0.038 0.000 2.973 233 V HA 0.584 4.704 4.120 -0.000 0.000 0.314 233 V C 0.100 176.106 176.094 -0.146 0.000 1.066 233 V CA -0.715 61.504 62.300 -0.135 0.000 1.021 233 V CB 2.464 34.113 31.823 -0.290 0.000 1.076 233 V HN 0.050 nan 8.190 nan 0.000 0.462 234 V N 2.162 121.924 119.914 -0.253 0.000 2.686 234 V HA 0.483 4.603 4.120 -0.000 0.000 0.306 234 V C -0.763 175.102 176.094 -0.381 0.000 1.065 234 V CA -0.495 61.690 62.300 -0.193 0.000 0.894 234 V CB 2.163 33.915 31.823 -0.119 0.000 1.004 234 V HN 0.583 nan 8.190 nan 0.000 0.424 235 V N 5.785 125.495 119.914 -0.340 0.000 2.380 235 V HA 0.264 4.384 4.120 -0.000 0.000 0.272 235 V C -1.745 174.302 176.094 -0.079 0.000 1.011 235 V CA -1.436 60.615 62.300 -0.415 0.000 0.826 235 V CB 1.357 32.631 31.823 -0.914 0.000 1.040 235 V HN 0.665 nan 8.190 nan 0.000 0.441 236 P HA -0.291 nan 4.420 nan 0.000 0.221 236 P C 1.587 179.201 177.300 0.522 0.000 1.151 236 P CA 1.751 64.854 63.100 0.004 0.000 0.843 236 P CB 0.249 31.811 31.700 -0.229 0.000 0.778 237 M N -0.990 118.834 119.600 0.373 0.000 2.257 237 M HA 0.176 4.656 4.480 -0.000 0.000 0.260 237 M C 1.537 178.061 176.300 0.374 0.000 1.102 237 M CA 1.728 57.280 55.300 0.420 0.000 1.169 237 M CB -0.870 31.881 32.600 0.251 0.000 1.323 237 M HN -0.197 nan 8.290 nan 0.000 0.447 238 A N -0.494 122.481 122.820 0.258 0.000 2.346 238 A HA 0.120 4.440 4.320 -0.000 0.000 0.242 238 A C 1.048 178.861 177.584 0.382 0.000 1.323 238 A CA 0.654 52.862 52.037 0.284 0.000 0.940 238 A CB -1.129 18.018 19.000 0.244 0.000 0.943 238 A HN 0.618 nan 8.150 nan 0.000 0.501 239 D N -0.706 119.901 120.400 0.345 0.000 2.366 239 D HA 0.092 4.732 4.640 -0.000 0.000 0.205 239 D C 1.309 177.760 176.300 0.251 0.000 1.022 239 D CA 0.523 54.717 54.000 0.322 0.000 0.868 239 D CB 0.070 41.055 40.800 0.308 0.000 0.953 239 D HN 0.449 nan 8.370 nan 0.000 0.514 240 L N 0.419 121.802 121.223 0.267 0.000 2.627 240 L HA 0.260 4.600 4.340 -0.000 0.000 0.232 240 L C 0.371 177.340 176.870 0.165 0.000 1.150 240 L CA -0.360 54.597 54.840 0.195 0.000 0.917 240 L CB -0.034 42.144 42.059 0.198 0.000 1.104 240 L HN 0.048 nan 8.230 nan 0.000 0.445 241 I N 0.739 121.435 120.570 0.209 0.000 2.371 241 I HA 0.184 4.354 4.170 -0.000 0.000 0.290 241 I C 0.245 176.509 176.117 0.245 0.000 1.028 241 I CA 0.119 61.529 61.300 0.184 0.000 1.345 241 I CB 0.329 38.468 38.000 0.231 0.000 1.407 241 I HN 0.092 nan 8.210 nan 0.000 0.501 242 N N 4.692 123.482 118.700 0.150 0.000 2.447 242 N HA 0.183 4.923 4.740 -0.000 0.000 0.271 242 N C -0.902 174.681 175.510 0.122 0.000 1.226 242 N CA -0.488 52.675 53.050 0.189 0.000 0.980 242 N CB 0.590 39.126 38.487 0.082 0.000 1.206 242 N HN 0.649 nan 8.380 nan 0.000 0.558 243 H N -0.934 117.817 119.070 -0.532 0.000 2.487 243 H HA 0.448 5.004 4.556 -0.000 0.000 0.333 243 H C -0.890 174.104 175.328 -0.558 0.000 1.114 243 H CA -0.076 55.431 56.048 -0.902 0.000 1.310 243 H CB 0.766 29.484 29.762 -1.739 0.000 1.462 243 H HN 0.302 nan 8.280 nan 0.000 0.516 244 S N 2.806 117.771 115.700 -1.226 0.000 2.546 244 S HA 0.508 4.978 4.470 -0.000 0.000 0.272 244 S C 0.473 174.555 174.600 -0.864 0.000 1.140 244 S CA -0.122 57.435 58.200 -1.072 0.000 0.920 244 S CB 0.957 63.431 63.200 -1.211 0.000 1.083 244 S HN 0.929 nan 8.310 nan 0.000 0.476 245 A N 3.405 125.889 122.820 -0.559 0.000 2.172 245 A HA 0.206 4.526 4.320 -0.000 0.000 0.216 245 A C 1.913 179.360 177.584 -0.228 0.000 1.154 245 A CA 1.534 53.402 52.037 -0.283 0.000 0.701 245 A CB -1.015 17.901 19.000 -0.140 0.000 0.789 245 A HN 1.104 nan 8.150 nan 0.000 0.465 246 G N -0.446 108.181 108.800 -0.288 0.000 2.408 246 G HA2 0.078 4.038 3.960 -0.000 0.000 0.217 246 G HA3 0.078 4.038 3.960 -0.000 0.000 0.217 246 G C 0.652 175.471 174.900 -0.135 0.000 1.150 246 G CA 0.877 45.862 45.100 -0.192 0.000 0.776 246 G HN 0.293 nan 8.290 nan 0.000 0.542 247 V N 1.609 121.426 119.914 -0.162 0.000 2.488 247 V HA 0.364 4.484 4.120 -0.000 0.000 0.277 247 V C 1.002 177.072 176.094 -0.041 0.000 1.046 247 V CA 0.780 63.031 62.300 -0.081 0.000 0.986 247 V CB 1.162 32.937 31.823 -0.080 0.000 0.989 247 V HN 0.366 nan 8.190 nan 0.000 0.475 248 T N -0.795 113.757 114.554 -0.004 0.000 3.380 248 T HA 0.157 4.507 4.350 -0.000 0.000 0.289 248 T C 0.757 175.479 174.700 0.036 0.000 1.012 248 T CA 0.082 62.191 62.100 0.015 0.000 0.944 248 T CB 0.357 69.225 68.868 -0.000 0.000 1.172 248 T HN 0.564 nan 8.240 nan 0.000 0.502 249 T N 1.271 115.864 114.554 0.065 0.000 3.111 249 T HA 0.296 4.646 4.350 -0.000 0.000 0.236 249 T C 0.462 175.214 174.700 0.086 0.000 0.984 249 T CA 0.290 62.431 62.100 0.068 0.000 1.195 249 T CB -0.153 68.761 68.868 0.077 0.000 0.929 249 T HN 0.536 nan 8.240 nan 0.000 0.431 250 E N 1.224 121.525 120.200 0.169 0.000 2.702 250 E HA -0.147 4.203 4.350 -0.000 0.000 0.292 250 E C -1.758 174.795 176.600 -0.078 0.000 0.987 250 E CA 0.156 56.654 56.400 0.165 0.000 0.887 250 E CB -1.323 28.442 29.700 0.109 0.000 1.417 250 E HN 0.568 nan 8.360 nan 0.000 0.403 251 D N -0.049 120.276 120.400 -0.125 0.000 2.365 251 D HA 0.207 4.847 4.640 -0.000 0.000 0.235 251 D C 0.355 176.556 176.300 -0.164 0.000 1.368 251 D CA -0.489 53.360 54.000 -0.251 0.000 1.001 251 D CB 0.544 41.286 40.800 -0.097 0.000 1.364 251 D HN 0.267 nan 8.370 nan 0.000 0.577 252 H N -0.035 119.060 119.070 0.042 0.000 3.734 252 H HA 0.420 4.976 4.556 -0.000 0.000 0.253 252 H C 0.679 175.985 175.328 -0.037 0.000 1.072 252 H CA -0.346 55.715 56.048 0.021 0.000 1.147 252 H CB -0.013 29.808 29.762 0.099 0.000 1.495 252 H HN 0.330 nan 8.280 nan 0.000 0.588 253 A N 1.353 124.142 122.820 -0.052 0.000 2.429 253 A HA 0.426 4.745 4.320 -0.000 0.000 0.242 253 A C -0.588 176.897 177.584 -0.166 0.000 1.088 253 A CA 0.316 52.233 52.037 -0.199 0.000 0.784 253 A CB 0.514 19.486 19.000 -0.047 0.000 1.038 253 A HN 0.561 nan 8.150 nan 0.000 0.501 254 Y N -1.101 118.874 120.300 -0.541 0.000 2.818 254 Y HA 0.462 5.012 4.550 -0.000 0.000 0.341 254 Y C -1.527 174.181 175.900 -0.320 0.000 1.283 254 Y CA -0.731 57.175 58.100 -0.323 0.000 1.075 254 Y CB 1.212 39.527 38.460 -0.241 0.000 1.370 254 Y HN 0.823 nan 8.280 nan 0.000 0.448 255 E N 1.737 121.666 120.200 -0.451 0.000 2.506 255 E HA 0.504 4.853 4.350 -0.000 0.000 0.308 255 E C -2.352 174.008 176.600 -0.400 0.000 0.931 255 E CA -0.644 55.577 56.400 -0.298 0.000 0.800 255 E CB 1.738 31.403 29.700 -0.058 0.000 1.292 255 E HN 0.343 nan 8.360 nan 0.000 0.401 268 L N -0.589 120.827 121.223 0.321 0.000 2.789 268 L HA 0.488 4.828 4.340 -0.000 0.000 0.258 268 L C -2.310 174.928 176.870 0.614 0.000 0.966 268 L CA -0.482 54.579 54.840 0.368 0.000 0.916 268 L CB 1.908 44.054 42.059 0.145 0.000 1.475 268 L HN 0.331 nan 8.230 nan 0.000 0.418 269 F N 2.326 122.605 119.950 0.547 0.000 2.375 269 F HA 0.686 5.213 4.527 -0.000 0.000 0.361 269 F C -0.052 175.771 175.800 0.037 0.000 1.117 269 F CA -0.101 57.955 58.000 0.094 0.000 1.037 269 F CB 1.578 40.309 39.000 -0.448 0.000 1.192 269 F HN 0.348 nan 8.300 nan 0.000 0.452 270 S N 6.316 121.822 115.700 -0.324 0.000 2.462 270 S HA 0.689 5.159 4.470 -0.000 0.000 0.294 270 S C -1.363 173.098 174.600 -0.231 0.000 1.144 270 S CA -0.567 57.547 58.200 -0.142 0.000 1.088 270 S CB 0.786 63.977 63.200 -0.015 0.000 1.009 270 S HN 0.628 nan 8.310 nan 0.000 0.484 271 L N 6.179 127.363 121.223 -0.065 0.000 2.356 271 L HA 0.666 5.006 4.340 -0.000 0.000 0.277 271 L C -0.979 175.921 176.870 0.050 0.000 0.996 271 L CA -0.251 54.581 54.840 -0.013 0.000 0.822 271 L CB 1.389 43.496 42.059 0.080 0.000 1.256 271 L HN 0.716 nan 8.230 nan 0.000 0.413 272 K N 2.444 122.877 120.400 0.055 0.000 2.397 272 K HA 0.542 4.862 4.320 -0.000 0.000 0.253 272 K C -0.667 175.969 176.600 0.060 0.000 0.932 272 K CA -0.564 55.750 56.287 0.046 0.000 0.795 272 K CB 1.743 34.245 32.500 0.004 0.000 1.159 272 K HN 0.443 nan 8.250 nan 0.000 0.424 273 S N 3.640 119.369 115.700 0.048 0.000 2.481 273 S HA 0.106 4.576 4.470 -0.000 0.000 0.282 273 S C -1.250 173.373 174.600 0.039 0.000 1.243 273 S CA -1.340 56.886 58.200 0.042 0.000 1.078 273 S CB 0.295 63.516 63.200 0.035 0.000 0.916 273 S HN 0.608 nan 8.310 nan 0.000 0.495 274 P HA 0.112 nan 4.420 nan 0.000 0.242 274 P C -0.336 176.982 177.300 0.030 0.000 1.197 274 P CA 0.452 63.581 63.100 0.048 0.000 0.765 274 P CB 0.031 31.782 31.700 0.085 0.000 0.936 275 L N -1.113 120.127 121.223 0.028 0.000 2.434 275 L HA 0.308 4.648 4.340 -0.000 0.000 0.260 275 L C -0.028 176.856 176.870 0.024 0.000 0.983 275 L CA -0.899 53.955 54.840 0.023 0.000 0.820 275 L CB 2.409 44.483 42.059 0.025 0.000 1.361 275 L HN -0.362 nan 8.230 nan 0.000 0.410 276 S N 1.538 117.249 115.700 0.018 0.000 2.430 276 S HA 0.325 4.795 4.470 -0.000 0.000 0.282 276 S C -0.116 174.497 174.600 0.022 0.000 1.186 276 S CA -0.442 57.769 58.200 0.018 0.000 1.060 276 S CB 0.568 63.776 63.200 0.012 0.000 0.966 276 S HN 0.250 nan 8.310 nan 0.000 0.501 277 V N 4.925 124.853 119.914 0.024 0.000 2.547 277 V HA 0.361 4.481 4.120 -0.000 0.000 0.299 277 V C 0.396 176.502 176.094 0.020 0.000 1.040 277 V CA -0.860 61.455 62.300 0.026 0.000 0.913 277 V CB 1.658 33.495 31.823 0.024 0.000 0.992 277 V HN 0.694 nan 8.190 nan 0.000 0.449 278 K N 2.027 122.439 120.400 0.020 0.000 2.090 278 K HA 0.682 5.002 4.320 -0.000 0.000 0.250 278 K C 0.164 176.773 176.600 0.016 0.000 1.004 278 K CA -0.452 55.845 56.287 0.017 0.000 0.919 278 K CB 1.096 33.605 32.500 0.015 0.000 1.045 278 K HN 0.822 nan 8.250 nan 0.000 0.471 279 A N 0.726 123.556 122.820 0.016 0.000 2.545 279 A HA 0.346 4.666 4.320 -0.000 0.000 0.253 279 A C 1.095 178.688 177.584 0.016 0.000 1.074 279 A CA 1.072 53.120 52.037 0.018 0.000 0.760 279 A CB -0.981 18.030 19.000 0.018 0.000 1.005 279 A HN 0.907 nan 8.150 nan 0.000 0.506 280 G N 1.977 110.786 108.800 0.015 0.000 2.259 280 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.217 280 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.217 280 G C 0.127 175.030 174.900 0.003 0.000 1.001 280 G CA 0.267 45.374 45.100 0.011 0.000 0.627 280 G HN 0.815 nan 8.290 nan 0.000 0.501 281 E N 0.511 120.713 120.200 0.004 0.000 2.351 281 E HA 0.495 4.845 4.350 -0.000 0.000 0.255 281 E C 0.253 176.831 176.600 -0.037 0.000 1.188 281 E CA -0.464 55.936 56.400 0.000 0.000 0.940 281 E CB 0.702 30.415 29.700 0.021 0.000 1.094 281 E HN 0.431 nan 8.360 nan 0.000 0.474 282 Q N 0.526 120.278 119.800 -0.080 0.000 2.227 282 Q HA 0.321 4.661 4.340 -0.000 0.000 0.245 282 Q C -1.319 174.502 176.000 -0.299 0.000 0.926 282 Q CA -0.592 55.054 55.803 -0.262 0.000 0.895 282 Q CB 1.344 29.777 28.738 -0.509 0.000 1.230 282 Q HN 0.267 nan 8.270 nan 0.000 0.450 283 V N 4.070 123.788 119.914 -0.326 0.000 2.427 283 V HA 0.398 4.518 4.120 -0.000 0.000 0.286 283 V C -0.939 174.984 176.094 -0.286 0.000 1.034 283 V CA -0.414 61.779 62.300 -0.179 0.000 0.893 283 V CB 0.516 32.306 31.823 -0.056 0.000 0.982 283 V HN 0.724 nan 8.190 nan 0.000 0.452 284 Y N 4.463 124.731 120.300 -0.054 0.000 2.773 284 Y HA 0.841 5.391 4.550 -0.000 0.000 0.323 284 Y C 0.228 176.051 175.900 -0.129 0.000 1.183 284 Y CA -1.008 57.033 58.100 -0.099 0.000 1.144 284 Y CB 1.954 40.309 38.460 -0.175 0.000 1.340 284 Y HN 0.625 nan 8.280 nan 0.000 0.531 285 I N -1.522 119.062 120.570 0.023 0.000 3.149 285 I HA 0.503 4.673 4.170 -0.000 0.000 0.310 285 I C -1.710 174.354 176.117 -0.088 0.000 1.343 285 I CA -1.403 59.788 61.300 -0.182 0.000 0.955 285 I CB 2.158 39.808 38.000 -0.583 0.000 1.309 285 I HN 0.366 nan 8.210 nan 0.000 0.478 286 Q N 1.659 121.490 119.800 0.051 0.000 2.360 286 Q HA 0.419 4.759 4.340 -0.000 0.000 0.254 286 Q C -0.640 175.695 176.000 0.559 0.000 0.975 286 Q CA -0.119 55.832 55.803 0.247 0.000 0.912 286 Q CB 0.584 29.455 28.738 0.222 0.000 1.212 286 Q HN 0.740 nan 8.270 nan 0.000 0.452 287 Y N 1.792 122.362 120.300 0.450 0.000 2.145 287 Y HA -0.077 4.473 4.550 -0.000 0.000 0.286 287 Y C 0.563 176.566 175.900 0.171 0.000 1.145 287 Y CA 0.593 58.816 58.100 0.206 0.000 1.148 287 Y CB 0.747 39.134 38.460 -0.121 0.000 0.981 287 Y HN 0.510 nan 8.280 nan 0.000 0.507 288 D N -1.273 119.318 120.400 0.319 0.000 2.400 288 D HA 0.103 4.743 4.640 -0.000 0.000 0.197 288 D C -0.195 176.200 176.300 0.158 0.000 1.295 288 D CA -0.106 54.013 54.000 0.198 0.000 0.878 288 D CB 0.822 41.716 40.800 0.157 0.000 1.659 288 D HN 0.048 nan 8.370 nan 0.000 0.546 289 L N 2.336 123.636 121.223 0.129 0.000 2.362 289 L HA -0.011 4.329 4.340 -0.000 0.000 0.219 289 L C 1.636 178.534 176.870 0.046 0.000 1.134 289 L CA 0.684 55.578 54.840 0.090 0.000 0.807 289 L CB -0.072 42.023 42.059 0.061 0.000 0.927 289 L HN 0.269 nan 8.230 nan 0.000 0.447 290 N N -0.517 118.207 118.700 0.041 0.000 2.254 290 N HA 0.063 4.803 4.740 -0.000 0.000 0.190 290 N C 0.224 175.778 175.510 0.072 0.000 1.107 290 N CA 0.178 53.230 53.050 0.003 0.000 0.869 290 N CB 0.499 38.976 38.487 -0.017 0.000 0.983 290 N HN 0.300 nan 8.380 nan 0.000 0.487 291 K N 1.498 121.958 120.400 0.099 0.000 2.295 291 K HA 0.139 4.459 4.320 -0.000 0.000 0.270 291 K C 0.829 177.547 176.600 0.196 0.000 1.011 291 K CA -0.151 56.208 56.287 0.120 0.000 0.953 291 K CB 0.868 33.405 32.500 0.063 0.000 0.956 291 K HN 0.059 nan 8.250 nan 0.000 0.477 292 S N 1.058 116.881 115.700 0.204 0.000 2.655 292 S HA 0.126 4.596 4.470 -0.000 0.000 0.265 292 S C 0.897 175.532 174.600 0.058 0.000 1.240 292 S CA -0.689 57.616 58.200 0.174 0.000 0.986 292 S CB 0.821 63.988 63.200 -0.056 0.000 0.985 292 S HN 0.530 nan 8.310 nan 0.000 0.562 293 N N 0.701 119.435 118.700 0.058 0.000 2.244 293 N HA -0.035 4.705 4.740 -0.000 0.000 0.183 293 N C 1.939 177.433 175.510 -0.028 0.000 1.016 293 N CA 1.305 54.377 53.050 0.037 0.000 0.866 293 N CB -0.968 37.603 38.487 0.141 0.000 0.980 293 N HN 0.791 nan 8.380 nan 0.000 0.430 294 A N 1.142 123.935 122.820 -0.044 0.000 1.978 294 A HA -0.146 4.174 4.320 -0.000 0.000 0.220 294 A C 2.063 179.560 177.584 -0.144 0.000 1.170 294 A CA 1.354 53.330 52.037 -0.102 0.000 0.636 294 A CB -0.347 18.577 19.000 -0.127 0.000 0.810 294 A HN 0.347 nan 8.150 nan 0.000 0.448 295 E N -0.426 119.700 120.200 -0.123 0.000 2.112 295 E HA -0.011 4.339 4.350 -0.000 0.000 0.190 295 E C 1.871 178.360 176.600 -0.184 0.000 0.979 295 E CA 0.701 57.012 56.400 -0.149 0.000 0.814 295 E CB -0.177 29.467 29.700 -0.094 0.000 0.762 295 E HN 0.615 nan 8.360 nan 0.000 0.460 296 L N 0.560 121.683 121.223 -0.168 0.000 2.141 296 L HA -0.109 4.231 4.340 -0.000 0.000 0.209 296 L C 2.524 179.202 176.870 -0.320 0.000 1.094 296 L CA 0.726 55.408 54.840 -0.264 0.000 0.763 296 L CB -0.376 41.420 42.059 -0.437 0.000 0.908 296 L HN 0.143 nan 8.230 nan 0.000 0.437 297 A N -0.041 122.639 122.820 -0.233 0.000 1.902 297 A HA -0.191 4.129 4.320 -0.000 0.000 0.217 297 A C 2.287 179.721 177.584 -0.250 0.000 1.181 297 A CA 1.499 53.422 52.037 -0.190 0.000 0.623 297 A CB -0.533 18.378 19.000 -0.148 0.000 0.818 297 A HN 0.372 nan 8.150 nan 0.000 0.443 298 L N -1.069 119.978 121.223 -0.294 0.000 2.068 298 L HA -0.108 4.231 4.340 -0.000 0.000 0.204 298 L C 2.107 178.747 176.870 -0.384 0.000 1.076 298 L CA 1.742 56.380 54.840 -0.338 0.000 0.753 298 L CB -0.356 41.517 42.059 -0.310 0.000 0.910 298 L HN 0.334 nan 8.230 nan 0.000 0.439 299 D N -1.425 118.691 120.400 -0.474 0.000 2.097 299 D HA -0.139 4.501 4.640 -0.000 0.000 0.195 299 D C -0.034 175.733 176.300 -0.889 0.000 0.989 299 D CA 1.505 55.044 54.000 -0.768 0.000 0.827 299 D CB 0.059 40.260 40.800 -0.998 0.000 0.966 299 D HN 0.234 nan 8.370 nan 0.000 0.456 300 Y N -2.112 118.050 120.300 -0.229 0.000 2.805 300 Y HA 0.586 5.136 4.550 -0.000 0.000 0.321 300 Y C 1.233 177.083 175.900 -0.084 0.000 1.203 300 Y CA -1.272 56.764 58.100 -0.107 0.000 1.165 300 Y CB 1.130 39.552 38.460 -0.064 0.000 1.371 300 Y HN -0.261 nan 8.280 nan 0.000 0.564 301 G N 0.419 109.396 108.800 0.294 0.000 4.294 301 G HA2 0.451 4.411 3.960 -0.000 0.000 0.301 301 G HA3 0.451 4.411 3.960 -0.000 0.000 0.301 301 G C -1.124 173.987 174.900 0.352 0.000 1.321 301 G CA -0.037 45.226 45.100 0.271 0.000 1.190 301 G HN 0.425 nan 8.290 nan 0.000 0.600 302 F N -0.625 119.424 119.950 0.165 0.000 2.713 302 F HA 0.781 5.308 4.527 -0.000 0.000 0.311 302 F C -1.239 174.613 175.800 0.085 0.000 1.141 302 F CA -2.209 55.861 58.000 0.116 0.000 0.939 302 F CB 1.129 40.173 39.000 0.072 0.000 1.325 302 F HN 0.129 nan 8.300 nan 0.000 0.453 303 I N -1.361 119.405 120.570 0.327 0.000 3.264 303 I HA 0.739 4.909 4.170 -0.000 0.000 0.315 303 I C -1.388 174.912 176.117 0.305 0.000 1.154 303 I CA -1.039 60.378 61.300 0.196 0.000 0.962 303 I CB 2.587 40.671 38.000 0.139 0.000 1.265 303 I HN 0.750 nan 8.210 nan 0.000 0.463 304 E N 1.676 121.991 120.200 0.193 0.000 2.235 304 E HA 0.382 4.732 4.350 -0.000 0.000 0.265 304 E C -2.155 174.485 176.600 0.066 0.000 0.940 304 E CA -1.668 54.817 56.400 0.141 0.000 0.819 304 E CB 2.051 31.828 29.700 0.129 0.000 1.206 304 E HN 0.466 nan 8.360 nan 0.000 0.409 305 P HA -0.063 nan 4.420 nan 0.000 0.229 305 P C -0.032 177.238 177.300 -0.049 0.000 1.160 305 P CA 0.466 63.573 63.100 0.012 0.000 0.777 305 P CB 0.173 31.880 31.700 0.011 0.000 0.814 306 N N 1.400 120.065 118.700 -0.059 0.000 2.418 306 N HA -0.100 4.640 4.740 -0.000 0.000 0.277 306 N C 1.146 176.515 175.510 -0.235 0.000 1.317 306 N CA 0.336 53.335 53.050 -0.085 0.000 0.922 306 N CB 0.121 38.591 38.487 -0.029 0.000 1.194 306 N HN 0.312 nan 8.380 nan 0.000 0.485 307 E N 2.236 122.301 120.200 -0.224 0.000 2.331 307 E HA -0.206 4.144 4.350 -0.000 0.000 0.199 307 E C 0.094 176.609 176.600 -0.141 0.000 1.008 307 E CA 0.831 57.001 56.400 -0.383 0.000 0.843 307 E CB -0.081 29.519 29.700 -0.166 0.000 0.761 307 E HN 0.436 nan 8.360 nan 0.000 0.507 308 N N 0.646 119.355 118.700 0.016 0.000 2.521 308 N HA 0.005 4.745 4.740 -0.000 0.000 0.188 308 N C 0.970 176.607 175.510 0.211 0.000 1.146 308 N CA 0.290 53.439 53.050 0.165 0.000 0.893 308 N CB 0.150 38.711 38.487 0.122 0.000 0.975 308 N HN 0.215 nan 8.380 nan 0.000 0.451 309 R N -0.041 120.493 120.500 0.057 0.000 2.290 309 R HA 0.111 4.451 4.340 -0.000 0.000 0.197 309 R C -0.092 176.299 176.300 0.151 0.000 0.913 309 R CA -0.047 56.146 56.100 0.156 0.000 1.040 309 R CB -0.020 30.306 30.300 0.043 0.000 0.992 309 R HN 0.457 nan 8.270 nan 0.000 0.500 310 H N 0.295 119.436 119.070 0.119 0.000 2.848 310 H HA 0.358 4.914 4.556 -0.000 0.000 0.317 310 H C 0.015 175.275 175.328 -0.113 0.000 1.046 310 H CA -0.273 55.776 56.048 0.001 0.000 1.470 310 H CB 0.997 30.744 29.762 -0.026 0.000 1.483 310 H HN 0.143 nan 8.280 nan 0.000 0.548 311 A N 3.650 126.369 122.820 -0.168 0.000 2.556 311 A HA 0.533 4.852 4.320 -0.000 0.000 0.294 311 A C -2.015 175.479 177.584 -0.150 0.000 1.091 311 A CA -0.622 51.129 52.037 -0.477 0.000 0.704 311 A CB 1.454 19.564 19.000 -1.484 0.000 1.300 311 A HN 0.697 nan 8.150 nan 0.000 0.406 312 Y N 0.475 120.665 120.300 -0.184 0.000 2.332 312 Y HA 0.513 5.063 4.550 -0.000 0.000 0.325 312 Y C 0.172 176.061 175.900 -0.019 0.000 1.054 312 Y CA 0.015 58.075 58.100 -0.065 0.000 1.119 312 Y CB 2.001 40.461 38.460 -0.001 0.000 1.168 312 Y HN 0.846 nan 8.280 nan 0.000 0.439 313 T N 6.638 121.078 114.554 -0.191 0.000 2.771 313 T HA 0.557 4.907 4.350 -0.000 0.000 0.291 313 T C -0.680 174.090 174.700 0.118 0.000 0.954 313 T CA -0.430 61.676 62.100 0.010 0.000 1.045 313 T CB 0.083 68.930 68.868 -0.034 0.000 0.917 313 T HN 0.584 nan 8.240 nan 0.000 0.484 314 L N 4.030 125.401 121.223 0.248 0.000 2.325 314 L HA 0.520 4.860 4.340 -0.000 0.000 0.279 314 L C 0.785 177.777 176.870 0.204 0.000 1.054 314 L CA -0.963 54.022 54.840 0.242 0.000 0.804 314 L CB 1.795 43.984 42.059 0.217 0.000 1.200 314 L HN 0.680 nan 8.230 nan 0.000 0.436 315 T N 3.925 118.548 114.554 0.116 0.000 2.770 315 T HA 0.610 4.960 4.350 -0.000 0.000 0.283 315 T C -0.699 173.960 174.700 -0.068 0.000 0.988 315 T CA -0.396 61.667 62.100 -0.060 0.000 0.957 315 T CB 0.383 69.221 68.868 -0.050 0.000 0.930 315 T HN 0.354 nan 8.240 nan 0.000 0.443 316 L N 4.766 125.909 121.223 -0.133 0.000 2.334 316 L HA 0.761 5.101 4.340 -0.000 0.000 0.273 316 L C -0.205 176.643 176.870 -0.036 0.000 1.013 316 L CA -0.784 54.023 54.840 -0.054 0.000 0.816 316 L CB 1.822 43.831 42.059 -0.084 0.000 1.278 316 L HN 0.803 nan 8.230 nan 0.000 0.431 317 E N 2.528 122.827 120.200 0.165 0.000 2.375 317 E HA 0.410 4.760 4.350 -0.000 0.000 0.280 317 E C -1.516 175.246 176.600 0.271 0.000 0.972 317 E CA -0.826 55.709 56.400 0.224 0.000 0.782 317 E CB 1.839 31.600 29.700 0.102 0.000 1.229 317 E HN 0.434 nan 8.360 nan 0.000 0.439 318 I N 2.460 123.197 120.570 0.279 0.000 2.281 318 I HA 0.147 4.317 4.170 -0.000 0.000 0.293 318 I C 0.461 176.785 176.117 0.346 0.000 1.085 318 I CA -0.490 60.951 61.300 0.234 0.000 1.257 318 I CB 1.187 39.258 38.000 0.118 0.000 1.430 318 I HN 0.500 nan 8.210 nan 0.000 0.489 319 S N 4.431 120.271 115.700 0.234 0.000 2.558 319 S HA 0.008 4.478 4.470 -0.000 0.000 0.288 319 S C 1.260 175.932 174.600 0.120 0.000 1.318 319 S CA -0.087 58.202 58.200 0.149 0.000 1.056 319 S CB 0.577 63.823 63.200 0.077 0.000 0.853 319 S HN 0.663 nan 8.310 nan 0.000 0.505 320 E N 1.929 122.016 120.200 -0.189 0.000 2.347 320 E HA -0.079 4.271 4.350 -0.000 0.000 0.196 320 E C 1.745 178.170 176.600 -0.291 0.000 1.008 320 E CA 0.979 56.992 56.400 -0.644 0.000 0.852 320 E CB -0.001 29.287 29.700 -0.687 0.000 0.783 320 E HN 0.807 nan 8.360 nan 0.000 0.505 321 S N 0.499 116.127 115.700 -0.119 0.000 2.562 321 S HA -0.066 4.404 4.470 -0.000 0.000 0.221 321 S C 0.736 175.322 174.600 -0.023 0.000 0.975 321 S CA -0.175 57.983 58.200 -0.071 0.000 0.918 321 S CB 0.089 63.260 63.200 -0.048 0.000 0.772 321 S HN 0.038 nan 8.310 nan 0.000 0.531 322 D N 3.665 124.092 120.400 0.044 0.000 2.417 322 D HA 0.113 4.753 4.640 -0.000 0.000 0.250 322 D C -1.280 175.039 176.300 0.032 0.000 1.166 322 D CA -1.751 52.301 54.000 0.088 0.000 0.881 322 D CB 1.427 42.342 40.800 0.192 0.000 1.164 322 D HN 0.094 nan 8.370 nan 0.000 0.467 323 P HA -0.096 nan 4.420 nan 0.000 0.228 323 P C 0.491 177.488 177.300 -0.505 0.000 1.151 323 P CA 0.828 63.711 63.100 -0.361 0.000 0.770 323 P CB -0.038 31.329 31.700 -0.556 0.000 0.786 324 F N -2.836 117.151 119.950 0.061 0.000 2.708 324 F HA 0.260 4.787 4.527 -0.000 0.000 0.300 324 F C 1.813 177.643 175.800 0.050 0.000 1.118 324 F CA -0.843 57.178 58.000 0.036 0.000 1.307 324 F CB -0.606 38.383 39.000 -0.018 0.000 0.986 324 F HN -0.251 nan 8.300 nan 0.000 0.522 325 F N 1.959 121.958 119.950 0.081 0.000 2.043 325 F HA -0.330 4.197 4.527 -0.000 0.000 0.297 325 F C 2.139 177.972 175.800 0.056 0.000 1.118 325 F CA 2.172 60.205 58.000 0.055 0.000 1.202 325 F CB -0.260 38.754 39.000 0.022 0.000 0.965 325 F HN 0.003 nan 8.300 nan 0.000 0.482 326 D N 0.080 120.520 120.400 0.066 0.000 2.123 326 D HA -0.210 4.430 4.640 -0.000 0.000 0.196 326 D C 1.848 178.090 176.300 -0.096 0.000 0.992 326 D CA 1.785 55.758 54.000 -0.045 0.000 0.833 326 D CB -0.495 40.368 40.800 0.105 0.000 0.954 326 D HN 0.476 nan 8.370 nan 0.000 0.455 327 D N 0.742 121.137 120.400 -0.009 0.000 2.123 327 D HA -0.059 4.581 4.640 -0.000 0.000 0.200 327 D C 2.027 178.287 176.300 -0.066 0.000 0.976 327 D CA 0.620 54.617 54.000 -0.005 0.000 0.831 327 D CB 0.065 40.903 40.800 0.063 0.000 0.974 327 D HN 0.241 nan 8.370 nan 0.000 0.469 328 K N 0.451 120.795 120.400 -0.093 0.000 2.057 328 K HA -0.111 4.209 4.320 -0.000 0.000 0.206 328 K C 2.110 178.594 176.600 -0.194 0.000 1.050 328 K CA 0.393 56.599 56.287 -0.136 0.000 0.935 328 K CB -0.123 32.305 32.500 -0.119 0.000 0.715 328 K HN 0.018 nan 8.250 nan 0.000 0.439 329 L N 1.774 122.797 121.223 -0.333 0.000 2.141 329 L HA -0.153 4.187 4.340 -0.000 0.000 0.209 329 L C 1.364 178.138 176.870 -0.159 0.000 1.094 329 L CA 1.894 56.541 54.840 -0.322 0.000 0.763 329 L CB -0.354 41.349 42.059 -0.594 0.000 0.908 329 L HN 0.057 nan 8.230 nan 0.000 0.437 330 D N -1.016 119.307 120.400 -0.129 0.000 2.117 330 D HA -0.139 4.501 4.640 -0.000 0.000 0.198 330 D C 2.324 178.605 176.300 -0.031 0.000 0.982 330 D CA 1.468 55.432 54.000 -0.060 0.000 0.828 330 D CB -0.098 40.680 40.800 -0.036 0.000 0.967 330 D HN 0.234 nan 8.370 nan 0.000 0.464 331 V N 1.131 121.034 119.914 -0.019 0.000 2.295 331 V HA -0.241 3.879 4.120 -0.000 0.000 0.246 331 V C 2.470 178.591 176.094 0.046 0.000 1.049 331 V CA 1.841 64.167 62.300 0.042 0.000 1.024 331 V CB -0.843 31.019 31.823 0.065 0.000 0.648 331 V HN 0.190 nan 8.190 nan 0.000 0.447 332 A N -0.137 122.699 122.820 0.025 0.000 1.851 332 A HA -0.277 4.043 4.320 -0.000 0.000 0.216 332 A C 2.162 179.767 177.584 0.034 0.000 1.195 332 A CA 2.103 54.175 52.037 0.058 0.000 0.622 332 A CB -0.620 18.405 19.000 0.042 0.000 0.831 332 A HN 0.634 nan 8.150 nan 0.000 0.444 333 E N -0.544 119.662 120.200 0.010 0.000 2.118 333 E HA -0.143 4.207 4.350 -0.000 0.000 0.195 333 E C 2.094 178.653 176.600 -0.067 0.000 0.992 333 E CA 1.129 57.519 56.400 -0.017 0.000 0.804 333 E CB -0.246 29.443 29.700 -0.018 0.000 0.741 333 E HN 0.510 nan 8.360 nan 0.000 0.458 334 S N 0.341 116.000 115.700 -0.067 0.000 2.500 334 S HA -0.050 4.420 4.470 -0.000 0.000 0.239 334 S C 0.950 175.457 174.600 -0.155 0.000 0.989 334 S CA 0.610 58.763 58.200 -0.079 0.000 0.951 334 S CB -0.021 63.157 63.200 -0.037 0.000 0.759 334 S HN 0.215 nan 8.310 nan 0.000 0.523 335 N N -0.137 118.413 118.700 -0.250 0.000 2.365 335 N HA 0.210 4.950 4.740 -0.000 0.000 0.257 335 N C 0.639 175.905 175.510 -0.406 0.000 1.287 335 N CA 0.570 53.346 53.050 -0.457 0.000 0.882 335 N CB 1.143 38.975 38.487 -1.091 0.000 1.250 335 N HN 0.382 nan 8.380 nan 0.000 0.507 336 G N 0.749 109.359 108.800 -0.317 0.000 2.143 336 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.249 336 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.249 336 G C -0.298 174.210 174.900 -0.653 0.000 0.981 336 G CA -0.037 44.784 45.100 -0.465 0.000 0.665 336 G HN 0.288 nan 8.290 nan 0.000 0.528 337 F N 0.593 120.502 119.950 -0.068 0.000 2.520 337 F HA 0.784 5.311 4.527 -0.000 0.000 0.322 337 F C 0.609 176.461 175.800 0.086 0.000 1.103 337 F CA -0.351 57.687 58.000 0.063 0.000 0.926 337 F CB 1.925 41.105 39.000 0.299 0.000 1.154 337 F HN 0.267 nan 8.300 nan 0.000 0.453 338 A N 1.607 124.578 122.820 0.252 0.000 2.257 338 A HA 0.274 4.594 4.320 -0.000 0.000 0.290 338 A C 1.312 179.038 177.584 0.237 0.000 1.201 338 A CA -0.349 51.790 52.037 0.170 0.000 0.863 338 A CB 0.517 19.572 19.000 0.091 0.000 1.256 338 A HN 0.772 nan 8.150 nan 0.000 0.506 339 Q N -0.632 119.269 119.800 0.169 0.000 2.181 339 Q HA -0.094 4.246 4.340 -0.000 0.000 0.205 339 Q C -0.271 175.855 176.000 0.209 0.000 0.980 339 Q CA 1.727 57.649 55.803 0.198 0.000 0.862 339 Q CB -0.159 28.703 28.738 0.207 0.000 0.905 339 Q HN 0.714 nan 8.270 nan 0.000 0.429 340 T N 0.147 114.766 114.554 0.109 0.000 2.861 340 T HA 0.730 5.080 4.350 -0.000 0.000 0.287 340 T C -1.312 173.284 174.700 -0.173 0.000 1.003 340 T CA -0.233 61.840 62.100 -0.045 0.000 0.977 340 T CB 1.760 70.577 68.868 -0.086 0.000 0.996 340 T HN 0.222 nan 8.240 nan 0.000 0.448 341 A N 2.532 125.102 122.820 -0.416 0.000 2.486 341 A HA 0.770 5.090 4.320 -0.000 0.000 0.300 341 A C -1.953 175.186 177.584 -0.742 0.000 1.048 341 A CA -0.746 50.985 52.037 -0.510 0.000 0.696 341 A CB 1.084 19.760 19.000 -0.540 0.000 1.278 341 A HN 0.800 nan 8.150 nan 0.000 0.405 342 Y N 0.473 120.541 120.300 -0.388 0.000 2.331 342 Y HA 0.601 5.151 4.550 -0.000 0.000 0.338 342 Y C -0.753 174.878 175.900 -0.448 0.000 0.992 342 Y CA -0.276 57.654 58.100 -0.283 0.000 1.121 342 Y CB 1.617 39.984 38.460 -0.156 0.000 1.184 342 Y HN 0.537 nan 8.280 nan 0.000 0.469 343 F N 2.764 122.793 119.950 0.131 0.000 2.375 343 F HA 0.298 4.825 4.527 -0.000 0.000 0.361 343 F C -0.308 175.583 175.800 0.152 0.000 1.117 343 F CA -1.170 56.910 58.000 0.133 0.000 1.037 343 F CB 0.937 39.988 39.000 0.085 0.000 1.192 343 F HN 0.415 nan 8.300 nan 0.000 0.452 344 D N 4.999 125.578 120.400 0.297 0.000 2.325 344 D HA 0.283 4.923 4.640 -0.000 0.000 0.251 344 D C 0.081 176.578 176.300 0.329 0.000 1.196 344 D CA 0.269 54.423 54.000 0.257 0.000 0.866 344 D CB 1.399 42.377 40.800 0.298 0.000 1.101 344 D HN 0.361 nan 8.370 nan 0.000 0.476 345 I N 3.115 123.823 120.570 0.230 0.000 2.330 345 I HA 0.235 4.405 4.170 -0.000 0.000 0.289 345 I C -0.178 176.038 176.117 0.165 0.000 1.001 345 I CA -0.642 60.810 61.300 0.254 0.000 1.193 345 I CB 0.558 38.696 38.000 0.231 0.000 1.345 345 I HN 0.043 nan 8.210 nan 0.000 0.461 346 F N 5.057 125.103 119.950 0.161 0.000 2.432 346 F HA 0.321 4.848 4.527 -0.000 0.000 0.329 346 F C 0.227 176.138 175.800 0.185 0.000 1.076 346 F CA -0.528 57.577 58.000 0.174 0.000 1.018 346 F CB 0.850 39.930 39.000 0.132 0.000 1.201 346 F HN 0.280 nan 8.300 nan 0.000 0.489 347 Y N 3.333 123.793 120.300 0.266 0.000 2.610 347 Y HA 0.013 4.563 4.550 -0.000 0.000 0.332 347 Y C 1.125 177.124 175.900 0.166 0.000 1.201 347 Y CA 0.240 58.453 58.100 0.188 0.000 1.465 347 Y CB 0.141 38.712 38.460 0.185 0.000 1.283 347 Y HN 0.714 nan 8.280 nan 0.000 0.563 348 N N 1.209 119.599 118.700 -0.517 0.000 2.857 348 N HA -0.324 4.416 4.740 -0.000 0.000 0.242 348 N C 0.032 175.489 175.510 -0.089 0.000 0.983 348 N CA 1.476 54.324 53.050 -0.336 0.000 0.934 348 N CB -0.799 37.552 38.487 -0.227 0.000 1.115 348 N HN 0.739 nan 8.380 nan 0.000 0.593 349 R N 1.141 121.652 120.500 0.018 0.000 2.528 349 R HA 0.362 4.702 4.340 -0.000 0.000 0.271 349 R C 0.187 176.511 176.300 0.041 0.000 1.056 349 R CA 0.103 56.234 56.100 0.053 0.000 1.117 349 R CB 0.621 30.995 30.300 0.124 0.000 1.085 349 R HN 0.171 nan 8.270 nan 0.000 0.530 350 T N 0.922 115.497 114.554 0.034 0.000 2.904 350 T HA 0.247 4.597 4.350 -0.000 0.000 0.290 350 T C 0.861 175.599 174.700 0.063 0.000 1.018 350 T CA -0.823 61.293 62.100 0.026 0.000 1.075 350 T CB 0.587 69.461 68.868 0.011 0.000 0.986 350 T HN 0.381 nan 8.240 nan 0.000 0.523 351 L N 2.470 123.723 121.223 0.049 0.000 2.573 351 L HA 0.128 4.468 4.340 -0.000 0.000 0.290 351 L C -1.829 175.103 176.870 0.102 0.000 1.247 351 L CA -1.265 53.621 54.840 0.077 0.000 0.876 351 L CB -0.354 41.724 42.059 0.032 0.000 1.123 351 L HN 0.535 nan 8.230 nan 0.000 0.505 352 P HA 0.214 nan 4.420 nan 0.000 0.275 352 P C -2.463 174.954 177.300 0.194 0.000 1.228 352 P CA -1.201 62.029 63.100 0.217 0.000 0.786 352 P CB 0.124 32.041 31.700 0.361 0.000 0.927 353 P HA 0.178 nan 4.420 nan 0.000 0.271 353 P C 0.980 178.509 177.300 0.381 0.000 1.216 353 P CA 0.656 63.901 63.100 0.242 0.000 0.776 353 P CB 0.342 32.190 31.700 0.247 0.000 0.881 354 G N 1.313 110.299 108.800 0.310 0.000 2.317 354 G HA2 -0.322 3.638 3.960 -0.000 0.000 0.227 354 G HA3 -0.322 3.638 3.960 -0.000 0.000 0.227 354 G C 0.735 175.542 174.900 -0.155 0.000 1.042 354 G CA 0.323 45.633 45.100 0.351 0.000 0.623 354 G HN 0.568 nan 8.290 nan 0.000 0.509 355 L N 1.245 122.172 121.223 -0.492 0.000 1.989 355 L HA 0.212 4.552 4.340 -0.000 0.000 0.211 355 L C 2.742 179.342 176.870 -0.450 0.000 1.071 355 L CA 2.778 56.988 54.840 -1.051 0.000 0.749 355 L CB -0.668 40.979 42.059 -0.688 0.000 0.890 355 L HN 0.453 nan 8.230 nan 0.000 0.431 356 L N 0.035 121.128 121.223 -0.216 0.000 1.994 356 L HA -0.109 4.231 4.340 -0.000 0.000 0.208 356 L C -0.165 176.596 176.870 -0.183 0.000 1.071 356 L CA 1.549 56.315 54.840 -0.123 0.000 0.745 356 L CB -2.009 40.002 42.059 -0.080 0.000 0.892 356 L HN 0.285 nan 8.230 nan 0.000 0.431 357 P HA -0.247 nan 4.420 nan 0.000 0.218 357 P C 1.348 178.386 177.300 -0.437 0.000 1.148 357 P CA 1.651 64.443 63.100 -0.512 0.000 0.822 357 P CB -0.078 31.054 31.700 -0.946 0.000 0.784 358 Y N 0.325 120.405 120.300 -0.366 0.000 2.263 358 Y HA -0.060 4.489 4.550 -0.000 0.000 0.292 358 Y C 2.557 178.355 175.900 -0.169 0.000 1.130 358 Y CA 0.948 58.929 58.100 -0.199 0.000 1.179 358 Y CB -0.656 37.709 38.460 -0.159 0.000 0.998 358 Y HN -0.261 nan 8.280 nan 0.000 0.532 359 L N -0.321 120.911 121.223 0.016 0.000 2.046 359 L HA -0.263 4.077 4.340 -0.000 0.000 0.208 359 L C 2.464 179.299 176.870 -0.059 0.000 1.077 359 L CA 1.522 56.357 54.840 -0.008 0.000 0.747 359 L CB -0.373 41.660 42.059 -0.043 0.000 0.896 359 L HN 0.173 nan 8.230 nan 0.000 0.432 360 R N -0.720 119.711 120.500 -0.115 0.000 2.096 360 R HA -0.190 4.150 4.340 -0.000 0.000 0.235 360 R C 2.129 178.320 176.300 -0.181 0.000 1.127 360 R CA 1.134 57.148 56.100 -0.142 0.000 0.968 360 R CB -0.424 29.774 30.300 -0.171 0.000 0.861 360 R HN 0.176 nan 8.270 nan 0.000 0.440 361 L N 0.565 121.650 121.223 -0.230 0.000 2.046 361 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 361 L C 2.030 178.789 176.870 -0.185 0.000 1.077 361 L CA 1.554 56.244 54.840 -0.249 0.000 0.747 361 L CB -0.417 41.445 42.059 -0.328 0.000 0.896 361 L HN -0.083 nan 8.230 nan 0.000 0.432 362 V N 0.217 120.047 119.914 -0.139 0.000 2.287 362 V HA -0.284 3.836 4.120 -0.000 0.000 0.248 362 V C 2.345 178.421 176.094 -0.031 0.000 1.053 362 V CA 1.819 64.094 62.300 -0.042 0.000 1.027 362 V CB -1.116 30.736 31.823 0.049 0.000 0.646 362 V HN 0.601 nan 8.190 nan 0.000 0.447 363 A N -1.081 121.708 122.820 -0.052 0.000 2.327 363 A HA 0.206 4.526 4.320 -0.000 0.000 0.228 363 A C 1.653 179.187 177.584 -0.084 0.000 1.275 363 A CA 0.003 52.010 52.037 -0.049 0.000 0.875 363 A CB -0.329 18.642 19.000 -0.048 0.000 0.925 363 A HN 0.386 nan 8.150 nan 0.000 0.493 364 L N 0.323 121.474 121.223 -0.121 0.000 1.957 364 L HA 0.031 4.371 4.340 -0.000 0.000 0.228 364 L C 1.326 178.084 176.870 -0.187 0.000 1.086 364 L CA 2.460 57.182 54.840 -0.197 0.000 0.796 364 L CB -0.970 40.926 42.059 -0.273 0.000 0.900 364 L HN 1.023 nan 8.230 nan 0.000 0.439 365 G N -4.163 104.554 108.800 -0.137 0.000 2.692 365 G HA2 0.019 3.979 3.960 -0.000 0.000 0.686 365 G HA3 0.019 3.979 3.960 -0.000 0.000 0.686 365 G C 0.635 175.450 174.900 -0.142 0.000 1.243 365 G CA -0.086 44.974 45.100 -0.068 0.000 0.782 365 G HN 0.863 nan 8.290 nan 0.000 0.625 366 G N -0.059 108.772 108.800 0.052 0.000 2.574 366 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.220 366 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.220 366 G C 1.964 176.847 174.900 -0.029 0.000 1.173 366 G CA 2.544 47.694 45.100 0.083 0.000 0.772 366 G HN 1.519 nan 8.290 nan 0.000 0.585 367 T N 0.993 115.533 114.554 -0.023 0.000 2.699 367 T HA -0.109 4.241 4.350 -0.000 0.000 0.268 367 T C 1.655 176.364 174.700 0.016 0.000 1.036 367 T CA 1.666 63.769 62.100 0.005 0.000 1.147 367 T CB -0.240 68.623 68.868 -0.008 0.000 0.862 367 T HN 0.355 nan 8.240 nan 0.000 0.446 368 D N 0.649 120.944 120.400 -0.175 0.000 2.349 368 D HA 0.318 4.958 4.640 -0.000 0.000 0.214 368 D C 1.891 177.748 176.300 -0.738 0.000 1.063 368 D CA 0.201 53.934 54.000 -0.445 0.000 0.847 368 D CB -0.121 40.416 40.800 -0.438 0.000 0.933 368 D HN 0.362 nan 8.370 nan 0.000 0.513 369 A N 1.191 123.678 122.820 -0.556 0.000 2.131 369 A HA -0.187 4.133 4.320 -0.000 0.000 0.220 369 A C 1.809 179.095 177.584 -0.496 0.000 1.158 369 A CA 0.766 52.371 52.037 -0.720 0.000 0.665 369 A CB -1.164 17.276 19.000 -0.933 0.000 0.795 369 A HN 0.389 nan 8.150 nan 0.000 0.460 370 F N -0.930 118.822 119.950 -0.329 0.000 2.333 370 F HA 0.002 4.529 4.527 -0.000 0.000 0.300 370 F C 1.357 176.911 175.800 -0.409 0.000 1.083 370 F CA 0.881 58.725 58.000 -0.260 0.000 1.395 370 F CB -0.715 38.165 39.000 -0.200 0.000 1.056 370 F HN 0.092 nan 8.300 nan 0.000 0.529 371 L N 0.375 120.797 121.223 -1.335 0.000 2.465 371 L HA -0.018 4.322 4.340 -0.000 0.000 0.224 371 L C 1.939 178.465 176.870 -0.573 0.000 1.145 371 L CA 0.395 54.436 54.840 -1.332 0.000 0.834 371 L CB -0.399 40.832 42.059 -1.380 0.000 0.944 371 L HN 0.301 nan 8.230 nan 0.000 0.451 372 L N -1.041 119.949 121.223 -0.388 0.000 2.599 372 L HA 0.041 4.381 4.340 -0.000 0.000 0.230 372 L C 0.829 177.691 176.870 -0.014 0.000 1.141 372 L CA -0.069 54.666 54.840 -0.174 0.000 0.877 372 L CB -0.168 41.776 42.059 -0.193 0.000 1.009 372 L HN 0.152 nan 8.230 nan 0.000 0.447 373 E N 0.065 120.300 120.200 0.058 0.000 2.390 373 E HA 0.029 4.379 4.350 -0.000 0.000 0.261 373 E C 1.238 177.953 176.600 0.193 0.000 1.076 373 E CA 0.030 56.523 56.400 0.155 0.000 0.905 373 E CB 1.119 30.955 29.700 0.226 0.000 0.984 373 E HN -0.044 nan 8.360 nan 0.000 0.427 374 S N 1.249 117.027 115.700 0.129 0.000 2.441 374 S HA -0.219 4.251 4.470 -0.000 0.000 0.242 374 S C 1.691 176.346 174.600 0.093 0.000 1.018 374 S CA 0.835 59.093 58.200 0.098 0.000 0.988 374 S CB -0.127 63.112 63.200 0.065 0.000 0.778 374 S HN 0.449 nan 8.310 nan 0.000 0.498 375 L N 0.456 121.744 121.223 0.108 0.000 2.083 375 L HA 0.032 4.372 4.340 -0.000 0.000 0.209 375 L C 1.157 177.925 176.870 -0.171 0.000 1.083 375 L CA 1.841 56.650 54.840 -0.051 0.000 0.752 375 L CB -0.510 41.482 42.059 -0.112 0.000 0.899 375 L HN 0.255 nan 8.230 nan 0.000 0.433 376 F N -1.350 118.639 119.950 0.065 0.000 2.678 376 F HA 0.302 4.829 4.527 -0.000 0.000 0.305 376 F C 1.476 177.320 175.800 0.072 0.000 1.090 376 F CA -0.352 57.698 58.000 0.084 0.000 1.272 376 F CB -0.308 38.731 39.000 0.065 0.000 1.060 376 F HN -0.179 nan 8.300 nan 0.000 0.576 377 R N 0.856 121.476 120.500 0.201 0.000 2.500 377 R HA -0.064 4.276 4.340 -0.000 0.000 0.212 377 R C 0.279 176.649 176.300 0.115 0.000 1.330 377 R CA 0.551 56.734 56.100 0.139 0.000 1.262 377 R CB -0.905 29.450 30.300 0.091 0.000 0.998 377 R HN 0.337 nan 8.270 nan 0.000 0.484 378 D N -1.899 118.581 120.400 0.133 0.000 2.490 378 D HA 0.034 4.674 4.640 -0.000 0.000 0.246 378 D C 0.496 176.866 176.300 0.117 0.000 1.196 378 D CA 0.558 54.618 54.000 0.099 0.000 0.812 378 D CB 1.136 41.972 40.800 0.059 0.000 1.191 378 D HN 0.255 nan 8.370 nan 0.000 0.531 379 T N -1.845 112.813 114.554 0.173 0.000 3.080 379 T HA 0.051 4.401 4.350 -0.000 0.000 0.280 379 T C 1.651 176.467 174.700 0.193 0.000 0.926 379 T CA -0.184 61.997 62.100 0.135 0.000 0.883 379 T CB 0.182 69.112 68.868 0.104 0.000 1.194 379 T HN -0.063 nan 8.240 nan 0.000 0.541 380 I N 1.104 121.853 120.570 0.299 0.000 2.248 380 I HA -0.051 4.119 4.170 -0.000 0.000 0.248 380 I C 1.897 178.115 176.117 0.168 0.000 1.107 380 I CA 1.214 62.658 61.300 0.240 0.000 1.373 380 I CB -0.517 37.577 38.000 0.157 0.000 1.055 380 I HN 0.537 nan 8.210 nan 0.000 0.418 381 W N 0.991 122.317 121.300 0.043 0.000 2.436 381 W HA -0.027 4.633 4.660 -0.000 0.000 0.284 381 W C 2.166 178.698 176.519 0.022 0.000 1.225 381 W CA 1.249 58.612 57.345 0.031 0.000 1.271 381 W CB -0.551 28.941 29.460 0.053 0.000 1.114 381 W HN 0.302 nan 8.180 nan 0.000 0.559 382 G N -0.427 108.418 108.800 0.076 0.000 2.418 382 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.217 382 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.217 382 G C 1.287 176.116 174.900 -0.120 0.000 1.158 382 G CA 0.976 46.048 45.100 -0.045 0.000 0.771 382 G HN 0.271 nan 8.290 nan 0.000 0.545 383 H N 0.423 119.497 119.070 0.007 0.000 2.357 383 H HA 0.067 4.623 4.556 -0.000 0.000 0.301 383 H C 2.759 178.009 175.328 -0.129 0.000 1.082 383 H CA 0.916 56.959 56.048 -0.007 0.000 1.342 383 H CB -0.363 29.401 29.762 0.003 0.000 1.389 383 H HN 0.256 nan 8.280 nan 0.000 0.511 384 L N 0.620 121.752 121.223 -0.152 0.000 2.127 384 L HA -0.174 4.166 4.340 -0.000 0.000 0.211 384 L C 2.253 178.913 176.870 -0.351 0.000 1.089 384 L CA 1.244 55.874 54.840 -0.349 0.000 0.757 384 L CB -0.266 41.386 42.059 -0.678 0.000 0.899 384 L HN 0.293 nan 8.230 nan 0.000 0.434 385 E N -0.196 119.803 120.200 -0.334 0.000 2.216 385 E HA -0.101 4.249 4.350 -0.000 0.000 0.192 385 E C 2.146 178.682 176.600 -0.106 0.000 0.988 385 E CA 0.683 56.950 56.400 -0.221 0.000 0.834 385 E CB 0.106 29.715 29.700 -0.152 0.000 0.772 385 E HN 0.496 nan 8.360 nan 0.000 0.479 386 L N 0.336 121.525 121.223 -0.057 0.000 2.529 386 L HA 0.088 4.428 4.340 -0.000 0.000 0.223 386 L C 0.284 177.154 176.870 0.001 0.000 1.113 386 L CA -0.034 54.798 54.840 -0.013 0.000 0.861 386 L CB 0.030 42.112 42.059 0.038 0.000 1.012 386 L HN 0.065 nan 8.230 nan 0.000 0.461 387 S N -3.025 112.687 115.700 0.019 0.000 2.890 387 S HA -0.096 4.374 4.470 -0.000 0.000 0.846 387 S C -0.010 174.697 174.600 0.177 0.000 0.892 387 S CA -0.241 58.014 58.200 0.092 0.000 1.448 387 S CB -0.567 62.697 63.200 0.107 0.000 1.037 387 S HN -0.190 nan 8.310 nan 0.000 0.227 388 V N 1.801 121.805 119.914 0.151 0.000 2.484 388 V HA 0.533 4.653 4.120 -0.000 0.000 0.236 388 V C 1.305 177.457 176.094 0.097 0.000 1.062 388 V CA 1.504 63.835 62.300 0.051 0.000 1.081 388 V CB -0.163 31.575 31.823 -0.141 0.000 0.751 388 V HN 1.909 nan 8.190 nan 0.000 0.484 389 S N -1.528 114.065 115.700 -0.179 0.000 2.567 389 S HA 0.406 4.876 4.470 -0.000 0.000 0.270 389 S C 0.173 173.945 174.600 -1.381 0.000 1.152 389 S CA -0.418 57.339 58.200 -0.737 0.000 0.835 389 S CB 2.079 65.086 63.200 -0.321 0.000 1.115 389 S HN 0.213 nan 8.310 nan 0.000 0.459 390 R N 0.496 119.930 120.500 -1.776 0.000 2.127 390 R HA -0.126 4.214 4.340 -0.000 0.000 0.238 390 R C 0.826 176.905 176.300 -0.369 0.000 1.134 390 R CA 2.168 57.712 56.100 -0.926 0.000 0.975 390 R CB -0.496 29.589 30.300 -0.359 0.000 0.865 390 R HN 0.767 nan 8.270 nan 0.000 0.447 391 D N -0.217 120.001 120.400 -0.303 0.000 2.183 391 D HA -0.163 4.477 4.640 -0.000 0.000 0.203 391 D C 1.448 177.661 176.300 -0.145 0.000 0.969 391 D CA 0.730 54.632 54.000 -0.163 0.000 0.842 391 D CB -0.269 40.456 40.800 -0.125 0.000 0.957 391 D HN 0.374 nan 8.370 nan 0.000 0.484 392 N N 1.158 119.742 118.700 -0.195 0.000 2.135 392 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 392 N C 1.704 177.167 175.510 -0.078 0.000 1.027 392 N CA 0.920 53.887 53.050 -0.138 0.000 0.849 392 N CB 0.238 38.629 38.487 -0.161 0.000 1.002 392 N HN -0.026 nan 8.380 nan 0.000 0.425 393 E N 1.264 121.427 120.200 -0.061 0.000 2.077 393 E HA -0.160 4.190 4.350 -0.000 0.000 0.193 393 E C 1.775 178.403 176.600 0.046 0.000 0.989 393 E CA 1.180 57.609 56.400 0.049 0.000 0.800 393 E CB -0.229 29.580 29.700 0.182 0.000 0.746 393 E HN 0.432 nan 8.360 nan 0.000 0.452 394 E N -0.164 120.042 120.200 0.011 0.000 2.110 394 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 394 E C 2.116 178.720 176.600 0.007 0.000 0.988 394 E CA 0.860 57.271 56.400 0.018 0.000 0.804 394 E CB -0.158 29.540 29.700 -0.004 0.000 0.745 394 E HN 0.333 nan 8.360 nan 0.000 0.458 395 L N 0.696 121.910 121.223 -0.015 0.000 1.976 395 L HA -0.183 4.157 4.340 -0.000 0.000 0.209 395 L C 2.603 179.461 176.870 -0.020 0.000 1.071 395 L CA 1.442 56.270 54.840 -0.021 0.000 0.746 395 L CB -0.404 41.634 42.059 -0.034 0.000 0.890 395 L HN 0.329 nan 8.230 nan 0.000 0.432 396 L N -2.098 119.116 121.223 -0.016 0.000 2.083 396 L HA -0.160 4.179 4.340 -0.000 0.000 0.209 396 L C 2.487 179.329 176.870 -0.047 0.000 1.083 396 L CA 1.592 56.413 54.840 -0.031 0.000 0.752 396 L CB -1.764 40.290 42.059 -0.009 0.000 0.899 396 L HN 0.167 nan 8.230 nan 0.000 0.433 397 C N -0.024 119.304 119.300 0.046 0.000 2.432 397 C HA -0.124 4.336 4.460 -0.000 0.000 0.277 397 C C 2.912 177.899 174.990 -0.005 0.000 1.249 397 C CA 1.200 60.280 59.018 0.103 0.000 1.725 397 C CB -0.740 27.106 27.740 0.176 0.000 2.028 397 C HN 0.686 nan 8.230 nan 0.000 0.477 398 K N 1.751 122.149 120.400 -0.002 0.000 2.009 398 K HA -0.114 4.206 4.320 -0.000 0.000 0.210 398 K C 2.018 178.589 176.600 -0.049 0.000 1.049 398 K CA 2.179 58.457 56.287 -0.016 0.000 0.929 398 K CB -0.710 31.784 32.500 -0.010 0.000 0.714 398 K HN 0.379 nan 8.250 nan 0.000 0.440 399 A N -0.036 122.745 122.820 -0.066 0.000 1.883 399 A HA -0.127 4.192 4.320 -0.000 0.000 0.217 399 A C 2.391 179.896 177.584 -0.132 0.000 1.186 399 A CA 2.013 54.002 52.037 -0.081 0.000 0.624 399 A CB -0.863 18.094 19.000 -0.072 0.000 0.822 399 A HN 0.143 nan 8.150 nan 0.000 0.444 400 V N 0.114 119.886 119.914 -0.236 0.000 2.307 400 V HA -0.261 3.859 4.120 -0.000 0.000 0.245 400 V C 2.663 178.612 176.094 -0.241 0.000 1.045 400 V CA 2.192 64.272 62.300 -0.366 0.000 1.024 400 V CB -0.821 30.464 31.823 -0.896 0.000 0.651 400 V HN 0.521 nan 8.190 nan 0.000 0.449 401 R N -0.179 120.223 120.500 -0.163 0.000 2.091 401 R HA -0.155 4.185 4.340 -0.000 0.000 0.238 401 R C 2.288 178.555 176.300 -0.054 0.000 1.136 401 R CA 1.430 57.490 56.100 -0.066 0.000 0.959 401 R CB -0.393 29.904 30.300 -0.006 0.000 0.856 401 R HN 0.537 nan 8.270 nan 0.000 0.437 402 E N 0.717 120.884 120.200 -0.054 0.000 2.077 402 E HA -0.142 4.207 4.350 -0.000 0.000 0.193 402 E C 2.009 178.585 176.600 -0.039 0.000 0.989 402 E CA 1.297 57.675 56.400 -0.036 0.000 0.800 402 E CB -0.215 29.467 29.700 -0.030 0.000 0.746 402 E HN 0.334 nan 8.360 nan 0.000 0.452 403 A N 0.831 123.617 122.820 -0.057 0.000 1.933 403 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 403 A C 2.623 180.176 177.584 -0.051 0.000 1.175 403 A CA 1.334 53.344 52.037 -0.046 0.000 0.628 403 A CB -0.847 18.121 19.000 -0.053 0.000 0.814 403 A HN 0.325 nan 8.150 nan 0.000 0.444 404 C N -0.571 118.684 119.300 -0.075 0.000 2.462 404 C HA -0.065 4.395 4.460 -0.000 0.000 0.278 404 C C 2.733 177.697 174.990 -0.044 0.000 1.253 404 C CA 1.317 60.285 59.018 -0.082 0.000 1.713 404 C CB -1.023 26.670 27.740 -0.078 0.000 2.049 404 C HN 0.635 nan 8.230 nan 0.000 0.477 405 K N 0.670 121.055 120.400 -0.026 0.000 2.057 405 K HA -0.154 4.166 4.320 -0.000 0.000 0.207 405 K C 2.318 178.922 176.600 0.006 0.000 1.049 405 K CA 1.625 57.909 56.287 -0.006 0.000 0.931 405 K CB -0.402 32.095 32.500 -0.005 0.000 0.714 405 K HN 0.395 nan 8.250 nan 0.000 0.440 406 S N 0.646 116.345 115.700 -0.001 0.000 2.356 406 S HA -0.170 4.300 4.470 -0.000 0.000 0.223 406 S C 2.105 176.716 174.600 0.018 0.000 1.032 406 S CA 1.313 59.517 58.200 0.006 0.000 1.005 406 S CB -0.253 62.947 63.200 -0.000 0.000 0.867 406 S HN 0.390 nan 8.310 nan 0.000 0.449 407 A N 1.438 124.268 122.820 0.018 0.000 1.902 407 A HA 0.041 4.361 4.320 -0.000 0.000 0.217 407 A C 2.218 179.884 177.584 0.137 0.000 1.181 407 A CA 1.426 53.490 52.037 0.044 0.000 0.623 407 A CB -0.878 18.134 19.000 0.020 0.000 0.818 407 A HN 0.573 nan 8.150 nan 0.000 0.443 408 L N -0.776 120.523 121.223 0.127 0.000 2.079 408 L HA -0.241 4.099 4.340 -0.000 0.000 0.210 408 L C 2.933 179.934 176.870 0.218 0.000 1.081 408 L CA 1.107 56.059 54.840 0.185 0.000 0.752 408 L CB -0.461 41.627 42.059 0.048 0.000 0.896 408 L HN 0.464 nan 8.230 nan 0.000 0.433 409 A N -0.167 122.722 122.820 0.115 0.000 2.168 409 A HA -0.010 4.310 4.320 -0.000 0.000 0.215 409 A C 2.225 179.859 177.584 0.083 0.000 1.152 409 A CA 1.168 53.258 52.037 0.088 0.000 0.716 409 A CB -0.749 18.279 19.000 0.046 0.000 0.794 409 A HN 0.450 nan 8.150 nan 0.000 0.465 410 G N -1.699 107.133 108.800 0.053 0.000 2.650 410 G HA2 0.172 4.132 3.960 -0.000 0.000 0.214 410 G HA3 0.172 4.132 3.960 -0.000 0.000 0.214 410 G C 0.389 175.233 174.900 -0.094 0.000 1.136 410 G CA 0.038 45.101 45.100 -0.062 0.000 0.789 410 G HN 0.464 nan 8.290 nan 0.000 0.536 411 Y N 0.066 120.402 120.300 0.060 0.000 2.301 411 Y HA 0.278 4.828 4.550 -0.000 0.000 0.328 411 Y C 1.772 177.745 175.900 0.122 0.000 1.242 411 Y CA -0.560 57.598 58.100 0.097 0.000 1.323 411 Y CB 0.872 39.358 38.460 0.043 0.000 1.266 411 Y HN 0.279 nan 8.280 nan 0.000 0.527 412 H N -1.204 117.964 119.070 0.163 0.000 2.551 412 H HA 0.197 4.753 4.556 -0.000 0.000 0.271 412 H C -0.319 175.058 175.328 0.082 0.000 0.984 412 H CA 0.576 56.680 56.048 0.094 0.000 1.164 412 H CB -0.125 29.675 29.762 0.063 0.000 1.437 412 H HN 0.552 nan 8.280 nan 0.000 0.550 413 T N -0.811 113.571 114.554 -0.287 0.000 2.906 413 T HA 0.462 4.812 4.350 -0.000 0.000 0.295 413 T C 0.091 174.714 174.700 -0.127 0.000 1.075 413 T CA -0.436 61.503 62.100 -0.268 0.000 1.005 413 T CB 2.484 71.114 68.868 -0.398 0.000 1.136 413 T HN 0.305 nan 8.240 nan 0.000 0.498 414 T N -0.684 113.808 114.554 -0.104 0.000 2.902 414 T HA 0.504 4.854 4.350 -0.000 0.000 0.280 414 T C 1.503 176.139 174.700 -0.106 0.000 0.992 414 T CA -1.047 61.000 62.100 -0.087 0.000 1.015 414 T CB 0.496 69.330 68.868 -0.058 0.000 1.044 414 T HN 0.578 nan 8.240 nan 0.000 0.520 415 I N 0.623 121.126 120.570 -0.111 0.000 2.335 415 I HA -0.170 4.000 4.170 -0.000 0.000 0.251 415 I C 2.444 178.515 176.117 -0.077 0.000 1.129 415 I CA 1.392 62.625 61.300 -0.111 0.000 1.402 415 I CB -0.286 37.649 38.000 -0.108 0.000 1.069 415 I HN 0.738 nan 8.210 nan 0.000 0.424 416 E N 0.599 120.763 120.200 -0.060 0.000 2.051 416 E HA -0.255 4.095 4.350 -0.000 0.000 0.192 416 E C 2.161 178.735 176.600 -0.044 0.000 0.991 416 E CA 1.257 57.631 56.400 -0.043 0.000 0.799 416 E CB -0.210 29.470 29.700 -0.033 0.000 0.748 416 E HN 0.491 nan 8.360 nan 0.000 0.449 417 Q N 0.360 120.129 119.800 -0.052 0.000 2.084 417 Q HA -0.175 4.165 4.340 -0.000 0.000 0.202 417 Q C 1.644 177.613 176.000 -0.052 0.000 0.978 417 Q CA 1.386 57.158 55.803 -0.051 0.000 0.844 417 Q CB -0.083 28.615 28.738 -0.067 0.000 0.898 417 Q HN 0.307 nan 8.270 nan 0.000 0.426 418 D N 0.515 120.875 120.400 -0.066 0.000 2.104 418 D HA -0.145 4.495 4.640 -0.000 0.000 0.194 418 D C 1.897 178.174 176.300 -0.038 0.000 0.994 418 D CA 1.152 55.118 54.000 -0.057 0.000 0.830 418 D CB -0.205 40.548 40.800 -0.077 0.000 0.959 418 D HN 0.193 nan 8.370 nan 0.000 0.452 419 R N 0.598 121.074 120.500 -0.040 0.000 2.105 419 R HA -0.112 4.228 4.340 -0.000 0.000 0.239 419 R C 2.248 178.538 176.300 -0.018 0.000 1.135 419 R CA 0.986 57.070 56.100 -0.027 0.000 0.967 419 R CB -0.136 30.146 30.300 -0.029 0.000 0.861 419 R HN 0.332 nan 8.270 nan 0.000 0.442 420 E N 0.960 121.148 120.200 -0.020 0.000 2.047 420 E HA -0.151 4.199 4.350 -0.000 0.000 0.191 420 E C 1.997 178.591 176.600 -0.010 0.000 0.987 420 E CA 0.742 57.134 56.400 -0.014 0.000 0.799 420 E CB 0.041 29.732 29.700 -0.015 0.000 0.752 420 E HN 0.247 nan 8.360 nan 0.000 0.449 421 L N 0.896 122.111 121.223 -0.013 0.000 2.013 421 L HA -0.244 4.096 4.340 -0.000 0.000 0.212 421 L C 2.516 179.385 176.870 -0.001 0.000 1.073 421 L CA 1.491 56.327 54.840 -0.007 0.000 0.753 421 L CB -0.391 41.664 42.059 -0.007 0.000 0.890 421 L HN 0.086 nan 8.230 nan 0.000 0.432 422 K N -0.371 120.029 120.400 -0.001 0.000 2.360 422 K HA -0.213 4.107 4.320 -0.000 0.000 0.201 422 K C 1.762 178.365 176.600 0.005 0.000 1.046 422 K CA 0.889 57.179 56.287 0.006 0.000 0.940 422 K CB -0.063 32.442 32.500 0.008 0.000 0.748 422 K HN 0.156 nan 8.250 nan 0.000 0.465 423 E N 0.462 120.662 120.200 0.001 0.000 2.427 423 E HA 0.000 4.350 4.350 -0.000 0.000 0.196 423 E C 0.661 177.261 176.600 0.001 0.000 1.028 423 E CA 0.236 56.636 56.400 0.000 0.000 0.864 423 E CB 0.241 29.940 29.700 -0.002 0.000 0.813 423 E HN 0.342 nan 8.360 nan 0.000 0.514 424 G N -0.758 108.042 108.800 0.001 0.000 2.938 424 G HA2 0.239 4.199 3.960 -0.000 0.000 0.258 424 G HA3 0.239 4.199 3.960 -0.000 0.000 0.258 424 G C -0.602 174.299 174.900 0.002 0.000 1.356 424 G CA -0.776 44.324 45.100 0.001 0.000 1.052 424 G HN -0.011 nan 8.290 nan 0.000 0.550 425 N N 0.327 119.027 118.700 0.001 0.000 2.414 425 N HA 0.370 5.110 4.740 -0.000 0.000 0.256 425 N C -1.029 174.481 175.510 -0.000 0.000 1.029 425 N CA -0.236 52.815 53.050 0.001 0.000 0.948 425 N CB 1.813 40.300 38.487 0.000 0.000 1.102 425 N HN 0.032 nan 8.380 nan 0.000 0.496 426 L N 1.358 122.582 121.223 0.002 0.000 2.334 426 L HA 0.283 4.623 4.340 -0.000 0.000 0.273 426 L C 0.495 177.360 176.870 -0.007 0.000 1.013 426 L CA -0.780 54.059 54.840 -0.002 0.000 0.816 426 L CB 1.130 43.192 42.059 0.005 0.000 1.278 426 L HN 0.436 nan 8.230 nan 0.000 0.431 427 D N -0.180 120.205 120.400 -0.025 0.000 2.414 427 D HA 0.070 4.710 4.640 -0.000 0.000 0.242 427 D C 1.174 177.452 176.300 -0.036 0.000 1.129 427 D CA 0.623 54.600 54.000 -0.038 0.000 0.885 427 D CB 1.137 41.895 40.800 -0.070 0.000 1.198 427 D HN 0.589 nan 8.370 nan 0.000 0.437 428 S N 4.055 119.746 115.700 -0.016 0.000 2.381 428 S HA -0.344 4.126 4.470 -0.000 0.000 0.230 428 S C 1.768 176.372 174.600 0.006 0.000 1.052 428 S CA 1.216 59.429 58.200 0.022 0.000 1.068 428 S CB -0.380 62.851 63.200 0.052 0.000 0.918 428 S HN 0.652 nan 8.310 nan 0.000 0.448 429 R N 0.175 120.593 120.500 -0.138 0.000 2.153 429 R HA 0.222 4.562 4.340 -0.000 0.000 0.218 429 R C 2.361 178.423 176.300 -0.397 0.000 1.072 429 R CA 0.855 56.717 56.100 -0.396 0.000 0.990 429 R CB -0.457 29.255 30.300 -0.980 0.000 0.889 429 R HN 0.386 nan 8.270 nan 0.000 0.452 430 L N 0.838 121.921 121.223 -0.233 0.000 2.072 430 L HA 0.011 4.351 4.340 -0.000 0.000 0.205 430 L C 2.203 179.069 176.870 -0.007 0.000 1.079 430 L CA 1.771 56.538 54.840 -0.121 0.000 0.752 430 L CB -0.704 41.307 42.059 -0.081 0.000 0.906 430 L HN 0.077 nan 8.230 nan 0.000 0.436 431 A N -0.196 122.631 122.820 0.013 0.000 1.908 431 A HA -0.207 4.113 4.320 -0.000 0.000 0.218 431 A C 2.287 179.938 177.584 0.113 0.000 1.181 431 A CA 2.215 54.287 52.037 0.058 0.000 0.627 431 A CB -0.889 18.145 19.000 0.058 0.000 0.818 431 A HN 0.524 nan 8.150 nan 0.000 0.445 432 I N -0.452 120.220 120.570 0.170 0.000 2.202 432 I HA -0.258 3.912 4.170 -0.000 0.000 0.242 432 I C 2.985 179.276 176.117 0.290 0.000 1.091 432 I CA 1.013 62.473 61.300 0.267 0.000 1.368 432 I CB -0.337 37.928 38.000 0.442 0.000 1.058 432 I HN 0.357 nan 8.210 nan 0.000 0.410 433 A N 0.408 123.447 122.820 0.364 0.000 1.877 433 A HA -0.154 4.166 4.320 -0.000 0.000 0.216 433 A C 2.433 180.128 177.584 0.186 0.000 1.186 433 A CA 1.818 54.059 52.037 0.339 0.000 0.620 433 A CB -0.980 18.230 19.000 0.349 0.000 0.822 433 A HN 0.230 nan 8.150 nan 0.000 0.443 434 V N -0.086 119.905 119.914 0.128 0.000 2.261 434 V HA -0.189 3.931 4.120 -0.000 0.000 0.246 434 V C 2.863 178.980 176.094 0.039 0.000 1.047 434 V CA 2.104 64.444 62.300 0.067 0.000 1.015 434 V CB -1.562 30.287 31.823 0.043 0.000 0.642 434 V HN 0.606 nan 8.190 nan 0.000 0.446 435 G N -0.016 108.824 108.800 0.065 0.000 2.440 435 G HA2 -0.211 3.749 3.960 -0.000 0.000 0.218 435 G HA3 -0.211 3.749 3.960 -0.000 0.000 0.218 435 G C 1.519 176.424 174.900 0.008 0.000 1.154 435 G CA 0.916 46.052 45.100 0.061 0.000 0.767 435 G HN 0.350 nan 8.290 nan 0.000 0.552 436 I N 2.031 122.633 120.570 0.053 0.000 2.127 436 I HA -0.180 3.990 4.170 -0.000 0.000 0.241 436 I C 3.011 179.101 176.117 -0.046 0.000 1.075 436 I CA 1.790 63.100 61.300 0.016 0.000 1.334 436 I CB -0.875 37.163 38.000 0.064 0.000 1.040 436 I HN 0.383 nan 8.210 nan 0.000 0.405 437 R N 1.148 121.656 120.500 0.014 0.000 2.115 437 R HA -0.175 4.165 4.340 -0.000 0.000 0.230 437 R C 1.911 178.076 176.300 -0.226 0.000 1.111 437 R CA 1.488 57.579 56.100 -0.015 0.000 0.976 437 R CB -0.666 29.703 30.300 0.114 0.000 0.870 437 R HN 0.464 nan 8.270 nan 0.000 0.445 438 E N 1.015 121.088 120.200 -0.211 0.000 2.028 438 E HA -0.127 4.223 4.350 -0.000 0.000 0.191 438 E C 2.040 178.400 176.600 -0.399 0.000 0.988 438 E CA 1.415 57.656 56.400 -0.264 0.000 0.799 438 E CB -0.356 29.235 29.700 -0.182 0.000 0.755 438 E HN 0.488 nan 8.360 nan 0.000 0.447 439 G N 1.122 109.527 108.800 -0.658 0.000 2.491 439 G HA2 -0.319 3.641 3.960 -0.000 0.000 0.218 439 G HA3 -0.319 3.641 3.960 -0.000 0.000 0.218 439 G C 1.415 176.043 174.900 -0.452 0.000 1.180 439 G CA 1.037 45.465 45.100 -1.120 0.000 0.774 439 G HN 0.360 nan 8.290 nan 0.000 0.562 440 E N 0.319 120.361 120.200 -0.263 0.000 2.130 440 E HA -0.151 4.199 4.350 -0.000 0.000 0.196 440 E C 2.571 179.071 176.600 -0.166 0.000 0.998 440 E CA 1.060 57.435 56.400 -0.041 0.000 0.806 440 E CB -0.079 29.717 29.700 0.160 0.000 0.738 440 E HN 0.424 nan 8.360 nan 0.000 0.459 441 K N 0.003 120.201 120.400 -0.337 0.000 2.148 441 K HA -0.076 4.244 4.320 -0.000 0.000 0.204 441 K C 2.146 178.637 176.600 -0.182 0.000 1.050 441 K CA 0.996 57.079 56.287 -0.340 0.000 0.942 441 K CB -0.080 32.174 32.500 -0.410 0.000 0.724 441 K HN 0.167 nan 8.250 nan 0.000 0.446 442 M N 0.453 119.952 119.600 -0.169 0.000 2.099 442 M HA -0.159 4.321 4.480 -0.000 0.000 0.262 442 M C 2.268 178.637 176.300 0.114 0.000 1.067 442 M CA 1.365 56.631 55.300 -0.056 0.000 1.124 442 M CB -0.255 32.202 32.600 -0.238 0.000 1.353 442 M HN -0.088 nan 8.290 nan 0.000 0.410 443 V N 0.375 120.350 119.914 0.103 0.000 2.295 443 V HA -0.251 3.869 4.120 -0.000 0.000 0.246 443 V C 2.326 178.444 176.094 0.040 0.000 1.049 443 V CA 1.363 63.767 62.300 0.174 0.000 1.024 443 V CB -0.642 31.285 31.823 0.173 0.000 0.648 443 V HN 0.329 nan 8.190 nan 0.000 0.447 444 L N -0.138 121.024 121.223 -0.102 0.000 2.012 444 L HA -0.223 4.117 4.340 -0.000 0.000 0.210 444 L C 2.561 179.395 176.870 -0.061 0.000 1.073 444 L CA 1.889 56.621 54.840 -0.180 0.000 0.748 444 L CB -1.183 40.718 42.059 -0.262 0.000 0.891 444 L HN 0.409 nan 8.230 nan 0.000 0.431 445 Q N -1.352 118.430 119.800 -0.029 0.000 2.224 445 Q HA -0.241 4.099 4.340 -0.000 0.000 0.203 445 Q C 2.139 178.168 176.000 0.049 0.000 0.970 445 Q CA 1.257 57.065 55.803 0.008 0.000 0.865 445 Q CB -0.104 28.636 28.738 0.003 0.000 0.922 445 Q HN 0.616 nan 8.270 nan 0.000 0.445 446 Q N 0.959 120.809 119.800 0.084 0.000 2.083 446 Q HA -0.149 4.191 4.340 -0.000 0.000 0.198 446 Q C 1.969 178.014 176.000 0.074 0.000 0.969 446 Q CA 0.981 56.829 55.803 0.076 0.000 0.838 446 Q CB 0.014 28.805 28.738 0.088 0.000 0.900 446 Q HN 0.389 nan 8.270 nan 0.000 0.436 447 I N 1.354 121.983 120.570 0.098 0.000 2.179 447 I HA -0.266 3.904 4.170 -0.000 0.000 0.242 447 I C 2.397 178.651 176.117 0.228 0.000 1.088 447 I CA 1.525 62.929 61.300 0.173 0.000 1.357 447 I CB -0.469 37.605 38.000 0.123 0.000 1.051 447 I HN 0.402 nan 8.210 nan 0.000 0.409 448 D N 1.025 121.495 120.400 0.117 0.000 2.144 448 D HA -0.150 4.490 4.640 -0.000 0.000 0.199 448 D C 2.137 178.508 176.300 0.118 0.000 0.984 448 D CA 1.551 55.618 54.000 0.112 0.000 0.834 448 D CB 0.052 40.876 40.800 0.041 0.000 0.955 448 D HN 0.369 nan 8.370 nan 0.000 0.465 449 G N 1.269 110.116 108.800 0.077 0.000 2.421 449 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.216 449 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.216 449 G C 1.941 176.856 174.900 0.025 0.000 1.171 449 G CA 0.538 45.664 45.100 0.043 0.000 0.775 449 G HN 0.326 nan 8.290 nan 0.000 0.543 450 I N -0.298 120.281 120.570 0.015 0.000 2.163 450 I HA -0.160 4.010 4.170 -0.000 0.000 0.243 450 I C 2.373 178.362 176.117 -0.213 0.000 1.085 450 I CA 1.083 62.314 61.300 -0.116 0.000 1.347 450 I CB -0.260 37.635 38.000 -0.176 0.000 1.044 450 I HN 0.079 nan 8.210 nan 0.000 0.408 451 F N 0.605 120.545 119.950 -0.017 0.000 2.456 451 F HA -0.091 4.436 4.527 -0.000 0.000 0.298 451 F C 2.484 178.278 175.800 -0.011 0.000 1.104 451 F CA 0.936 58.927 58.000 -0.015 0.000 1.435 451 F CB -0.411 38.579 39.000 -0.017 0.000 1.078 451 F HN 0.103 nan 8.300 nan 0.000 0.546 452 E N 0.017 120.288 120.200 0.118 0.000 2.077 452 E HA -0.233 4.117 4.350 -0.000 0.000 0.193 452 E C 2.210 178.825 176.600 0.024 0.000 0.989 452 E CA 1.002 57.442 56.400 0.066 0.000 0.800 452 E CB 0.001 29.729 29.700 0.047 0.000 0.746 452 E HN 0.209 nan 8.360 nan 0.000 0.452 453 Q N 0.870 120.664 119.800 -0.010 0.000 2.096 453 Q HA -0.164 4.176 4.340 -0.000 0.000 0.204 453 Q C 2.009 177.984 176.000 -0.041 0.000 0.982 453 Q CA 1.474 57.256 55.803 -0.034 0.000 0.850 453 Q CB -0.087 28.613 28.738 -0.064 0.000 0.901 453 Q HN 0.282 nan 8.270 nan 0.000 0.422 454 K N 0.370 120.730 120.400 -0.066 0.000 2.063 454 K HA -0.163 4.157 4.320 -0.000 0.000 0.208 454 K C 1.965 178.571 176.600 0.009 0.000 1.048 454 K CA 1.321 57.572 56.287 -0.059 0.000 0.928 454 K CB -0.044 32.388 32.500 -0.114 0.000 0.713 454 K HN 0.318 nan 8.250 nan 0.000 0.442 455 E N 0.740 120.962 120.200 0.038 0.000 2.153 455 E HA -0.172 4.178 4.350 -0.000 0.000 0.194 455 E C 2.021 178.639 176.600 0.030 0.000 0.988 455 E CA 0.881 57.309 56.400 0.048 0.000 0.811 455 E CB -0.080 29.652 29.700 0.053 0.000 0.746 455 E HN 0.285 nan 8.360 nan 0.000 0.466 456 L N 0.764 121.996 121.223 0.015 0.000 2.072 456 L HA -0.112 4.228 4.340 -0.000 0.000 0.205 456 L C 1.692 178.564 176.870 0.004 0.000 1.079 456 L CA 1.000 55.844 54.840 0.008 0.000 0.752 456 L CB -0.272 41.787 42.059 -0.000 0.000 0.906 456 L HN 0.060 nan 8.230 nan 0.000 0.436 457 E N 0.365 120.561 120.200 -0.007 0.000 2.403 457 E HA -0.054 4.296 4.350 -0.000 0.000 0.187 457 E C 1.498 178.097 176.600 -0.002 0.000 1.073 457 E CA -0.195 56.195 56.400 -0.017 0.000 0.888 457 E CB 0.141 29.817 29.700 -0.040 0.000 1.035 457 E HN 0.215 nan 8.360 nan 0.000 0.471 458 L N 0.937 122.180 121.223 0.032 0.000 2.447 458 L HA -0.156 4.184 4.340 -0.000 0.000 0.225 458 L C 0.516 177.456 176.870 0.116 0.000 1.148 458 L CA 1.778 56.671 54.840 0.088 0.000 0.808 458 L CB -0.019 42.093 42.059 0.088 0.000 0.928 458 L HN 0.031 nan 8.230 nan 0.000 0.448 459 D N -3.100 117.331 120.400 0.052 0.000 2.469 459 D HA 0.035 4.675 4.640 -0.000 0.000 0.213 459 D C 1.666 177.954 176.300 -0.021 0.000 1.135 459 D CA 0.084 54.112 54.000 0.047 0.000 0.834 459 D CB 0.363 41.189 40.800 0.043 0.000 1.009 459 D HN 0.303 nan 8.370 nan 0.000 0.507 460 Q N -0.019 119.748 119.800 -0.055 0.000 2.398 460 Q HA 0.180 4.520 4.340 -0.000 0.000 0.204 460 Q C 0.245 176.156 176.000 -0.149 0.000 0.932 460 Q CA 0.310 56.064 55.803 -0.081 0.000 0.916 460 Q CB 0.802 29.501 28.738 -0.066 0.000 1.024 460 Q HN 0.293 nan 8.270 nan 0.000 0.504 461 L N 2.392 123.468 121.223 -0.245 0.000 2.417 461 L HA 0.090 4.430 4.340 -0.000 0.000 0.268 461 L C 0.166 176.712 176.870 -0.540 0.000 1.158 461 L CA -0.125 54.469 54.840 -0.409 0.000 0.819 461 L CB 0.670 42.386 42.059 -0.572 0.000 1.112 461 L HN 0.169 nan 8.230 nan 0.000 0.458 462 E N 3.111 123.076 120.200 -0.392 0.000 2.035 462 E HA 0.254 4.604 4.350 -0.000 0.000 0.271 462 E C -0.991 175.461 176.600 -0.246 0.000 0.953 462 E CA -0.547 55.689 56.400 -0.273 0.000 0.777 462 E CB 0.398 30.021 29.700 -0.127 0.000 1.104 462 E HN 0.362 nan 8.360 nan 0.000 0.408 463 Y N 0.729 121.035 120.300 0.010 0.000 2.262 463 Y HA -0.161 4.389 4.550 -0.000 0.000 0.402 463 Y C 1.694 177.626 175.900 0.053 0.000 1.320 463 Y CA -0.262 57.860 58.100 0.036 0.000 1.895 463 Y CB -0.027 38.455 38.460 0.036 0.000 1.662 463 Y HN 0.562 nan 8.280 nan 0.000 0.671 464 Y N 0.529 120.945 120.300 0.192 0.000 2.070 464 Y HA -0.314 4.236 4.550 -0.000 0.000 0.279 464 Y C 2.376 178.331 175.900 0.091 0.000 1.134 464 Y CA 1.949 60.099 58.100 0.082 0.000 1.113 464 Y CB -0.494 37.967 38.460 0.002 0.000 0.981 464 Y HN 0.488 nan 8.280 nan 0.000 0.487 465 Q N 0.577 120.362 119.800 -0.024 0.000 1.998 465 Q HA -0.327 4.013 4.340 -0.000 0.000 0.209 465 Q C 2.289 178.204 176.000 -0.142 0.000 1.002 465 Q CA 2.310 58.047 55.803 -0.109 0.000 0.858 465 Q CB -0.991 27.771 28.738 0.041 0.000 0.932 465 Q HN 0.747 nan 8.270 nan 0.000 0.416 466 E N 0.449 120.628 120.200 -0.036 0.000 2.086 466 E HA -0.226 4.124 4.350 -0.000 0.000 0.200 466 E C 2.012 178.566 176.600 -0.077 0.000 1.012 466 E CA 1.261 57.639 56.400 -0.038 0.000 0.812 466 E CB 0.015 29.715 29.700 -0.000 0.000 0.743 466 E HN 0.236 nan 8.360 nan 0.000 0.453 467 R N -0.127 120.316 120.500 -0.096 0.000 2.152 467 R HA -0.097 4.243 4.340 -0.000 0.000 0.232 467 R C 2.598 178.821 176.300 -0.128 0.000 1.117 467 R CA 1.177 57.227 56.100 -0.083 0.000 0.981 467 R CB -0.280 30.003 30.300 -0.028 0.000 0.870 467 R HN 0.189 nan 8.270 nan 0.000 0.451 468 R N 0.926 121.268 120.500 -0.263 0.000 2.115 468 R HA -0.003 4.337 4.340 -0.000 0.000 0.226 468 R C 1.675 177.906 176.300 -0.115 0.000 1.100 468 R CA 0.864 56.821 56.100 -0.239 0.000 0.980 468 R CB 0.069 30.128 30.300 -0.403 0.000 0.875 468 R HN 0.177 nan 8.270 nan 0.000 0.445 469 L N 0.978 122.141 121.223 -0.099 0.000 2.612 469 L HA 0.092 4.432 4.340 -0.000 0.000 0.230 469 L C 0.574 177.421 176.870 -0.039 0.000 1.140 469 L CA 0.100 54.906 54.840 -0.056 0.000 0.896 469 L CB 0.151 42.182 42.059 -0.047 0.000 1.065 469 L HN -0.113 nan 8.230 nan 0.000 0.447 470 K N 1.936 122.312 120.400 -0.040 0.000 3.165 470 K HA 0.056 4.376 4.320 -0.000 0.000 0.270 470 K C 0.041 176.631 176.600 -0.017 0.000 1.111 470 K CA 0.248 56.520 56.287 -0.026 0.000 1.216 470 K CB -0.500 31.985 32.500 -0.025 0.000 1.229 470 K HN 0.415 nan 8.250 nan 0.000 0.435 471 D N -1.235 119.155 120.400 -0.016 0.000 3.964 471 D HA -0.038 4.602 4.640 -0.000 0.000 0.269 471 D C 0.601 176.896 176.300 -0.009 0.000 1.500 471 D CA -0.204 53.790 54.000 -0.009 0.000 0.770 471 D CB -0.651 40.146 40.800 -0.004 0.000 1.356 471 D HN 0.027 nan 8.370 nan 0.000 0.755 472 L N 0.771 121.987 121.223 -0.011 0.000 2.179 472 L HA 0.159 4.499 4.340 -0.000 0.000 0.208 472 L C 1.694 178.560 176.870 -0.006 0.000 1.096 472 L CA 1.343 56.178 54.840 -0.009 0.000 0.779 472 L CB -0.374 41.678 42.059 -0.012 0.000 0.922 472 L HN 0.473 nan 8.230 nan 0.000 0.443 473 G N 0.440 109.237 108.800 -0.005 0.000 2.338 473 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.296 473 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.296 473 G C 0.823 175.721 174.900 -0.003 0.000 1.040 473 G CA 0.367 45.465 45.100 -0.003 0.000 1.004 473 G HN 0.317 nan 8.290 nan 0.000 0.509 474 L N -1.380 119.840 121.223 -0.004 0.000 2.042 474 L HA -0.109 4.231 4.340 -0.000 0.000 0.210 474 L C 1.982 178.850 176.870 -0.003 0.000 1.076 474 L CA 1.419 56.257 54.840 -0.004 0.000 0.749 474 L CB -0.259 41.796 42.059 -0.005 0.000 0.893 474 L HN 0.501 nan 8.230 nan 0.000 0.432 475 C N 0.991 120.290 119.300 -0.003 0.000 2.225 475 C HA 0.467 4.927 4.460 -0.000 0.000 0.437 475 C C 1.295 176.284 174.990 -0.001 0.000 1.039 475 C CA -0.766 58.251 59.018 -0.002 0.000 1.406 475 C CB -1.400 26.338 27.740 -0.003 0.000 1.548 475 C HN 0.494 nan 8.230 nan 0.000 0.515 476 G N 1.658 110.458 108.800 0.000 0.000 3.434 476 G HA2 0.482 4.442 3.960 -0.000 0.000 0.197 476 G HA3 0.482 4.442 3.960 -0.000 0.000 0.197 476 G C -0.188 174.714 174.900 0.003 0.000 1.559 476 G CA -0.135 44.967 45.100 0.002 0.000 0.852 476 G HN 0.623 nan 8.290 nan 0.000 0.682 477 E N -0.188 120.015 120.200 0.005 0.000 2.281 477 E HA 0.299 4.649 4.350 -0.000 0.000 0.257 477 E C -0.821 175.782 176.600 0.005 0.000 0.971 477 E CA -0.907 55.497 56.400 0.006 0.000 0.839 477 E CB 1.299 31.005 29.700 0.009 0.000 1.238 477 E HN 0.179 nan 8.360 nan 0.000 0.412 478 N N 0.447 119.150 118.700 0.005 0.000 3.243 478 N HA 0.052 4.792 4.740 -0.000 0.000 0.310 478 N C 1.049 176.563 175.510 0.006 0.000 1.313 478 N CA 0.497 53.549 53.050 0.004 0.000 1.204 478 N CB -0.480 38.009 38.487 0.002 0.000 1.483 478 N HN 0.729 nan 8.380 nan 0.000 0.553 479 G N 0.747 109.552 108.800 0.009 0.000 2.681 479 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.224 479 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.224 479 G C 1.216 176.121 174.900 0.009 0.000 1.100 479 G CA 0.745 45.853 45.100 0.014 0.000 0.743 479 G HN 0.449 nan 8.290 nan 0.000 0.612 480 D N 0.286 120.684 120.400 -0.002 0.000 2.149 480 D HA -0.107 4.533 4.640 -0.000 0.000 0.198 480 D C 2.618 178.910 176.300 -0.014 0.000 0.990 480 D CA 0.485 54.476 54.000 -0.015 0.000 0.839 480 D CB -0.080 40.709 40.800 -0.018 0.000 0.948 480 D HN 0.214 nan 8.370 nan 0.000 0.460 481 I N 1.120 121.690 120.570 -0.001 0.000 2.113 481 I HA -0.297 3.873 4.170 -0.000 0.000 0.242 481 I C 2.658 178.785 176.117 0.018 0.000 1.064 481 I CA 0.975 62.278 61.300 0.005 0.000 1.320 481 I CB -1.238 36.768 38.000 0.010 0.000 1.028 481 I HN 0.120 nan 8.210 nan 0.000 0.406 482 L N 0.196 121.442 121.223 0.038 0.000 2.042 482 L HA -0.210 4.130 4.340 -0.000 0.000 0.210 482 L C 2.573 179.510 176.870 0.112 0.000 1.076 482 L CA 1.377 56.268 54.840 0.085 0.000 0.749 482 L CB -0.667 41.449 42.059 0.095 0.000 0.893 482 L HN 0.333 nan 8.230 nan 0.000 0.432 483 E N 0.141 120.353 120.200 0.020 0.000 2.077 483 E HA -0.159 4.191 4.350 -0.000 0.000 0.193 483 E C 1.108 177.531 176.600 -0.294 0.000 0.989 483 E CA 0.808 57.115 56.400 -0.156 0.000 0.800 483 E CB -0.245 29.376 29.700 -0.132 0.000 0.746 483 E HN 0.492 nan 8.360 nan 0.000 0.452 484 N N 0.825 119.443 118.700 -0.136 0.000 2.523 484 N HA -0.007 4.733 4.740 -0.000 0.000 0.208 484 N C 0.575 176.046 175.510 -0.064 0.000 1.313 484 N CA 0.453 53.432 53.050 -0.117 0.000 0.853 484 N CB 0.236 38.685 38.487 -0.064 0.000 1.090 484 N HN 0.195 nan 8.380 nan 0.000 0.463 485 L N -0.209 120.997 121.223 -0.029 0.000 3.014 485 L HA 0.210 4.550 4.340 -0.000 0.000 0.263 485 L C -0.663 176.343 176.870 0.226 0.000 1.207 485 L CA -0.310 54.590 54.840 0.100 0.000 1.017 485 L CB -0.047 42.103 42.059 0.151 0.000 1.360 485 L HN 0.130 nan 8.230 nan 0.000 0.560 486 Y N 0.000 120.300 120.300 -0.001 0.000 2.660 486 Y HA 0.000 4.550 4.550 -0.000 0.000 0.201 486 Y CA 0.000 58.100 58.100 -0.000 0.000 1.940 486 Y CB 0.000 38.460 38.460 -0.000 0.000 1.050 486 Y HN 0.000 nan 8.280 nan 0.000 0.758