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 1k7h_1_A DATA FIRST_RESID 1 DATA SEQUENCE EEDKAYWNKD AQDALDKQLG IKLREKQAKN VIFFLGDGMS LSTVTAARIY DATA SEQUENCE KGGLTGKFER EKISWEEFDF AALSKTYNTD KQVTDSAASA TAYLTGVKTN DATA SEQUENCE QGVIGLDANT VRTNcSYQLD ESLFTYSIAH WFQEAGRSTG VVTSTRVTHA DATA SEQUENCE TPAGTYAHVA DRDWENDSDV VHDREDPEIc DDIAEQLVFR EPGKNFKVIM DATA SEQUENCE GGGRRGFFPE EALDIEDGIP GEREDGKHLI TDWLDDKASQ GATASYVWNR DATA SEQUENCE DDLLAVDIAN TDYLMGLFSY THLDTVLTRD AEMDPTLPEM TKVAIEMLTK DATA SEQUENCE DENGFFLLVE GGRIDHMHHA NQIRQSLAET LDMEEAVSMA LSMTDPEETI DATA SEQUENCE ILVTADHGHT LTITGYADRN TDILDFAGIS DLDDRRYTIL DYGSGPGYHI DATA SEQUENCE TEDGKRYEPT EEDLKDINFR YASAAPKHSA THDGTDVGIW VNGPFAHLFT DATA SEQUENCE GVYEENYIPH ALAYAAcVGT GRTFcD 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.288 176.600 -0.519 0.000 1.382 1 E CA 0.000 56.246 56.400 -0.257 0.000 0.976 1 E CB 0.000 29.618 29.700 -0.137 0.000 0.812 2 E N 2.173 121.976 120.200 -0.662 0.000 1.999 2 E HA 0.110 4.460 4.350 0.001 0.000 0.296 2 E C -0.753 175.748 176.600 -0.164 0.000 1.187 2 E CA 0.030 55.868 56.400 -0.936 0.000 1.229 2 E CB -0.271 29.129 29.700 -0.500 0.000 1.131 2 E HN 0.383 nan 8.360 nan 0.000 0.478 3 D N -0.167 120.181 120.400 -0.087 0.000 2.549 3 D HA 0.042 4.682 4.640 0.001 0.000 0.270 3 D C 1.034 177.483 176.300 0.248 0.000 1.181 3 D CA -0.819 53.253 54.000 0.119 0.000 1.070 3 D CB 0.738 41.572 40.800 0.055 0.000 1.154 3 D HN -0.009 nan 8.370 nan 0.000 0.602 4 K N -0.487 120.040 120.400 0.212 0.000 2.044 4 K HA -0.249 4.071 4.320 0.001 0.000 0.210 4 K C 1.894 178.609 176.600 0.192 0.000 1.049 4 K CA 1.879 58.296 56.287 0.216 0.000 0.927 4 K CB -0.616 31.961 32.500 0.129 0.000 0.713 4 K HN 0.441 nan 8.250 nan 0.000 0.443 5 A N 0.131 123.029 122.820 0.130 0.000 1.933 5 A HA -0.180 4.140 4.320 0.001 0.000 0.218 5 A C 2.083 179.709 177.584 0.071 0.000 1.175 5 A CA 1.468 53.557 52.037 0.087 0.000 0.628 5 A CB -0.930 18.104 19.000 0.057 0.000 0.814 5 A HN 0.627 nan 8.150 nan 0.000 0.444 6 Y N -0.989 119.255 120.300 -0.093 0.000 2.097 6 Y HA -0.280 4.271 4.550 0.000 0.000 0.282 6 Y C 2.117 177.832 175.900 -0.308 0.000 1.152 6 Y CA 2.079 60.026 58.100 -0.256 0.000 1.136 6 Y CB -0.508 37.716 38.460 -0.393 0.000 0.975 6 Y HN 0.454 nan 8.280 nan 0.000 0.498 7 W N 0.614 122.059 121.300 0.241 0.000 2.388 7 W HA -0.159 4.502 4.660 0.000 0.000 0.294 7 W C 2.328 178.862 176.519 0.025 0.000 1.212 7 W CA 0.910 58.332 57.345 0.127 0.000 1.271 7 W CB -0.430 29.120 29.460 0.149 0.000 1.126 7 W HN 0.036 nan 8.180 nan 0.000 0.535 8 N N 0.702 119.527 118.700 0.209 0.000 2.120 8 N HA -0.181 4.559 4.740 0.001 0.000 0.188 8 N C 1.622 177.156 175.510 0.039 0.000 1.024 8 N CA 1.563 54.683 53.050 0.118 0.000 0.852 8 N CB -0.627 37.914 38.487 0.090 0.000 1.003 8 N HN 0.246 nan 8.380 nan 0.000 0.424 9 K N 1.050 121.433 120.400 -0.027 0.000 2.057 9 K HA -0.149 4.171 4.320 0.001 0.000 0.206 9 K C 1.519 178.053 176.600 -0.110 0.000 1.050 9 K CA 1.546 57.784 56.287 -0.081 0.000 0.935 9 K CB -0.171 32.247 32.500 -0.137 0.000 0.715 9 K HN -0.028 nan 8.250 nan 0.000 0.439 10 D N -0.092 120.199 120.400 -0.182 0.000 2.116 10 D HA -0.186 4.454 4.640 0.001 0.000 0.193 10 D C 1.710 178.007 176.300 -0.004 0.000 0.998 10 D CA 1.826 55.730 54.000 -0.159 0.000 0.836 10 D CB -0.054 40.616 40.800 -0.217 0.000 0.951 10 D HN 0.384 nan 8.370 nan 0.000 0.449 11 A N -0.287 122.575 122.820 0.070 0.000 1.873 11 A HA -0.176 4.145 4.320 0.001 0.000 0.215 11 A C 2.187 179.791 177.584 0.034 0.000 1.186 11 A CA 1.293 53.375 52.037 0.075 0.000 0.616 11 A CB -0.689 18.373 19.000 0.103 0.000 0.823 11 A HN 0.174 nan 8.150 nan 0.000 0.442 12 Q N 0.307 120.119 119.800 0.020 0.000 2.135 12 Q HA -0.168 4.172 4.340 0.001 0.000 0.204 12 Q C 1.493 177.490 176.000 -0.004 0.000 0.981 12 Q CA 1.876 57.683 55.803 0.007 0.000 0.856 12 Q CB -0.534 28.204 28.738 0.000 0.000 0.902 12 Q HN 0.649 nan 8.270 nan 0.000 0.425 13 D N -0.644 119.745 120.400 -0.019 0.000 2.117 13 D HA -0.074 4.566 4.640 0.001 0.000 0.198 13 D C 1.570 177.861 176.300 -0.014 0.000 0.982 13 D CA 1.384 55.369 54.000 -0.026 0.000 0.828 13 D CB -0.183 40.586 40.800 -0.051 0.000 0.967 13 D HN 0.284 nan 8.370 nan 0.000 0.464 14 A N 0.510 123.328 122.820 -0.003 0.000 1.930 14 A HA -0.117 4.203 4.320 0.001 0.000 0.217 14 A C 2.108 179.697 177.584 0.008 0.000 1.175 14 A CA 0.868 52.909 52.037 0.008 0.000 0.627 14 A CB -0.605 18.410 19.000 0.025 0.000 0.815 14 A HN 0.246 nan 8.150 nan 0.000 0.443 15 L N 0.027 121.257 121.223 0.011 0.000 2.056 15 L HA -0.132 4.209 4.340 0.001 0.000 0.207 15 L C 1.588 178.460 176.870 0.004 0.000 1.078 15 L CA 2.373 57.219 54.840 0.010 0.000 0.749 15 L CB -0.656 41.411 42.059 0.014 0.000 0.901 15 L HN 0.300 nan 8.230 nan 0.000 0.433 16 D N -0.251 120.149 120.400 0.000 0.000 2.117 16 D HA -0.233 4.407 4.640 0.001 0.000 0.197 16 D C 2.126 178.423 176.300 -0.005 0.000 0.987 16 D CA 1.367 55.365 54.000 -0.003 0.000 0.829 16 D CB -0.056 40.740 40.800 -0.008 0.000 0.961 16 D HN 0.395 nan 8.370 nan 0.000 0.460 17 K N 0.396 120.792 120.400 -0.006 0.000 2.026 17 K HA -0.226 4.094 4.320 0.001 0.000 0.208 17 K C 2.101 178.694 176.600 -0.010 0.000 1.048 17 K CA 1.321 57.604 56.287 -0.008 0.000 0.929 17 K CB 0.029 32.525 32.500 -0.006 0.000 0.713 17 K HN -0.088 nan 8.250 nan 0.000 0.439 18 Q N 0.922 120.717 119.800 -0.009 0.000 2.084 18 Q HA -0.083 4.257 4.340 0.001 0.000 0.202 18 Q C 1.929 177.925 176.000 -0.007 0.000 0.978 18 Q CA 1.510 57.304 55.803 -0.015 0.000 0.844 18 Q CB -0.133 28.602 28.738 -0.006 0.000 0.898 18 Q HN 0.408 nan 8.270 nan 0.000 0.426 19 L N -0.854 120.369 121.223 0.000 0.000 2.275 19 L HA -0.022 4.318 4.340 0.001 0.000 0.215 19 L C 1.884 178.755 176.870 0.002 0.000 1.119 19 L CA 0.887 55.730 54.840 0.004 0.000 0.790 19 L CB -0.376 41.686 42.059 0.005 0.000 0.919 19 L HN 0.379 nan 8.230 nan 0.000 0.443 20 G N -0.510 108.289 108.800 -0.002 0.000 3.141 20 G HA2 0.171 4.131 3.960 0.001 0.000 0.218 20 G HA3 0.171 4.131 3.960 0.001 0.000 0.218 20 G C 0.663 175.560 174.900 -0.005 0.000 1.170 20 G CA -0.435 44.662 45.100 -0.004 0.000 0.769 20 G HN 0.143 nan 8.290 nan 0.000 0.546 21 I N 1.196 121.762 120.570 -0.006 0.000 2.742 21 I HA 0.034 4.205 4.170 0.001 0.000 0.287 21 I C 0.408 176.527 176.117 0.003 0.000 1.186 21 I CA 0.183 61.482 61.300 -0.002 0.000 1.417 21 I CB 0.803 38.801 38.000 -0.004 0.000 1.377 21 I HN -0.056 nan 8.210 nan 0.000 0.556 22 K N 7.794 128.191 120.400 -0.005 0.000 2.265 22 K HA 0.463 4.784 4.320 0.001 0.000 0.267 22 K C -0.770 175.797 176.600 -0.055 0.000 0.994 22 K CA -0.478 55.792 56.287 -0.028 0.000 0.860 22 K CB 0.812 33.293 32.500 -0.032 0.000 1.099 22 K HN 0.471 nan 8.250 nan 0.000 0.448 23 L N 4.142 125.300 121.223 -0.107 0.000 2.467 23 L HA 0.274 4.614 4.340 0.001 0.000 0.270 23 L C 0.457 177.147 176.870 -0.299 0.000 1.205 23 L CA -0.015 54.674 54.840 -0.253 0.000 0.828 23 L CB 0.635 42.463 42.059 -0.384 0.000 1.101 23 L HN 0.586 nan 8.230 nan 0.000 0.479 24 R N 2.043 122.289 120.500 -0.424 0.000 2.352 24 R HA 0.238 4.579 4.340 0.001 0.000 0.304 24 R C -0.850 175.008 176.300 -0.736 0.000 1.104 24 R CA -0.281 55.578 56.100 -0.401 0.000 0.991 24 R CB 0.844 30.994 30.300 -0.250 0.000 1.140 24 R HN 0.555 nan 8.270 nan 0.000 0.540 25 E N 3.971 123.757 120.200 -0.689 0.000 2.597 25 E HA 0.093 4.443 4.350 0.001 0.000 0.235 25 E C -0.815 175.404 176.600 -0.634 0.000 1.155 25 E CA -0.321 55.492 56.400 -0.979 0.000 1.199 25 E CB 0.519 29.954 29.700 -0.442 0.000 1.409 25 E HN 0.384 nan 8.360 nan 0.000 0.453 26 K N 0.118 120.135 120.400 -0.639 0.000 2.527 26 K HA 0.275 4.595 4.320 0.001 0.000 0.260 26 K C -0.615 175.881 176.600 -0.173 0.000 0.937 26 K CA -1.085 55.040 56.287 -0.270 0.000 0.826 26 K CB 1.665 34.120 32.500 -0.075 0.000 1.359 26 K HN 0.005 nan 8.250 nan 0.000 0.434 27 Q N 1.230 121.073 119.800 0.070 0.000 2.333 27 Q HA 0.103 4.444 4.340 0.001 0.000 0.299 27 Q C -0.810 175.249 176.000 0.099 0.000 1.067 27 Q CA 0.069 55.967 55.803 0.159 0.000 0.943 27 Q CB 0.616 29.501 28.738 0.244 0.000 1.233 27 Q HN 0.680 nan 8.270 nan 0.000 0.401 28 A N 4.227 127.110 122.820 0.106 0.000 2.320 28 A HA 0.161 4.481 4.320 0.001 0.000 0.287 28 A C 0.508 178.138 177.584 0.076 0.000 1.181 28 A CA -0.415 51.679 52.037 0.095 0.000 0.831 28 A CB 0.856 19.936 19.000 0.134 0.000 1.102 28 A HN 1.044 nan 8.150 nan 0.000 0.513 29 K N 2.150 122.583 120.400 0.055 0.000 2.007 29 K HA -0.037 4.283 4.320 0.001 0.000 0.206 29 K C 0.103 176.742 176.600 0.066 0.000 1.047 29 K CA 1.078 57.395 56.287 0.050 0.000 0.937 29 K CB -0.043 32.481 32.500 0.040 0.000 0.718 29 K HN 0.817 nan 8.250 nan 0.000 0.438 30 N N 0.001 118.673 118.700 -0.047 0.000 2.335 30 N HA 0.280 5.021 4.740 0.001 0.000 0.304 30 N C -1.517 173.906 175.510 -0.145 0.000 1.135 30 N CA -0.528 52.349 53.050 -0.289 0.000 0.817 30 N CB 2.431 40.458 38.487 -0.766 0.000 1.294 30 N HN -0.184 nan 8.380 nan 0.000 0.497 31 V N 1.911 121.697 119.914 -0.212 0.000 2.569 31 V HA 0.462 4.582 4.120 0.001 0.000 0.301 31 V C -0.446 175.511 176.094 -0.228 0.000 1.044 31 V CA -0.600 61.667 62.300 -0.055 0.000 0.874 31 V CB 1.684 33.640 31.823 0.222 0.000 1.002 31 V HN 0.517 nan 8.190 nan 0.000 0.424 32 I N 5.310 125.783 120.570 -0.161 0.000 2.382 32 I HA 0.442 4.612 4.170 0.001 0.000 0.286 32 I C -1.175 174.855 176.117 -0.145 0.000 1.002 32 I CA -0.435 60.725 61.300 -0.232 0.000 1.135 32 I CB 1.642 39.590 38.000 -0.088 0.000 1.288 32 I HN 0.476 nan 8.210 nan 0.000 0.448 33 F N 7.673 127.362 119.950 -0.435 0.000 2.375 33 F HA 0.541 5.068 4.527 0.001 0.000 0.361 33 F C -1.042 174.560 175.800 -0.330 0.000 1.117 33 F CA -1.143 56.729 58.000 -0.212 0.000 1.037 33 F CB 0.694 39.678 39.000 -0.027 0.000 1.192 33 F HN 0.135 nan 8.300 nan 0.000 0.452 34 F N 6.618 126.637 119.950 0.115 0.000 2.420 34 F HA 0.479 5.006 4.527 0.001 0.000 0.342 34 F C -0.489 175.337 175.800 0.044 0.000 1.113 34 F CA -0.790 57.231 58.000 0.035 0.000 1.059 34 F CB 1.453 40.385 39.000 -0.115 0.000 1.128 34 F HN 0.190 nan 8.300 nan 0.000 0.475 35 L N 3.766 125.102 121.223 0.187 0.000 2.377 35 L HA 0.538 4.879 4.340 0.001 0.000 0.270 35 L C -0.339 176.532 176.870 0.003 0.000 0.991 35 L CA -0.206 54.674 54.840 0.066 0.000 0.851 35 L CB 0.946 43.037 42.059 0.054 0.000 1.218 35 L HN 0.680 nan 8.230 nan 0.000 0.420 36 G N 3.694 112.454 108.800 -0.067 0.000 2.448 36 G HA2 0.099 4.059 3.960 0.001 0.000 0.309 36 G HA3 0.099 4.059 3.960 0.001 0.000 0.309 36 G C -0.170 174.675 174.900 -0.092 0.000 1.027 36 G CA -0.347 44.714 45.100 -0.066 0.000 1.104 36 G HN 0.665 nan 8.290 nan 0.000 0.428 37 D N 2.237 122.586 120.400 -0.084 0.000 2.382 37 D HA 0.305 4.946 4.640 0.001 0.000 0.259 37 D C 1.437 177.645 176.300 -0.153 0.000 1.224 37 D CA 1.299 55.223 54.000 -0.127 0.000 0.894 37 D CB 0.688 41.481 40.800 -0.012 0.000 1.127 37 D HN 0.759 nan 8.370 nan 0.000 0.487 38 G N 4.178 112.750 108.800 -0.379 0.000 2.143 38 G HA2 -0.295 3.665 3.960 0.001 0.000 0.249 38 G HA3 -0.295 3.665 3.960 0.001 0.000 0.249 38 G C 0.654 175.614 174.900 0.099 0.000 0.981 38 G CA 0.269 45.311 45.100 -0.097 0.000 0.665 38 G HN 0.570 nan 8.290 nan 0.000 0.528 39 M N 3.110 122.711 119.600 0.001 0.000 3.011 39 M HA 0.388 4.868 4.480 0.001 0.000 0.292 39 M C 1.247 177.626 176.300 0.132 0.000 1.440 39 M CA 0.281 55.639 55.300 0.097 0.000 1.552 39 M CB -0.193 32.445 32.600 0.062 0.000 1.187 39 M HN 0.556 nan 8.290 nan 0.000 0.520 40 S N 2.596 118.387 115.700 0.151 0.000 2.589 40 S HA 0.118 4.589 4.470 0.001 0.000 0.265 40 S C 1.136 175.841 174.600 0.174 0.000 1.342 40 S CA -0.680 57.599 58.200 0.133 0.000 1.005 40 S CB 0.790 64.045 63.200 0.093 0.000 0.909 40 S HN 0.784 nan 8.310 nan 0.000 0.555 41 L N 1.510 122.834 121.223 0.168 0.000 2.079 41 L HA -0.151 4.189 4.340 0.001 0.000 0.210 41 L C 3.087 180.049 176.870 0.153 0.000 1.081 41 L CA 1.641 56.607 54.840 0.209 0.000 0.752 41 L CB -0.950 41.207 42.059 0.163 0.000 0.896 41 L HN 0.999 nan 8.230 nan 0.000 0.433 42 S N -1.561 114.197 115.700 0.096 0.000 2.383 42 S HA -0.205 4.266 4.470 0.001 0.000 0.229 42 S C 1.915 176.550 174.600 0.057 0.000 1.030 42 S CA 1.731 59.963 58.200 0.054 0.000 1.002 42 S CB -0.872 62.333 63.200 0.008 0.000 0.829 42 S HN 0.384 nan 8.310 nan 0.000 0.467 43 T N 2.146 116.758 114.554 0.096 0.000 2.788 43 T HA -0.010 4.341 4.350 0.001 0.000 0.268 43 T C 1.880 176.629 174.700 0.081 0.000 1.044 43 T CA 1.386 63.556 62.100 0.117 0.000 1.139 43 T CB -0.542 68.458 68.868 0.220 0.000 0.867 43 T HN 0.317 nan 8.240 nan 0.000 0.454 44 V N 1.470 121.457 119.914 0.121 0.000 2.379 44 V HA -0.159 3.962 4.120 0.001 0.000 0.245 44 V C 2.787 178.889 176.094 0.012 0.000 1.044 44 V CA 1.888 64.237 62.300 0.082 0.000 1.036 44 V CB -1.143 30.796 31.823 0.194 0.000 0.664 44 V HN 0.500 nan 8.190 nan 0.000 0.453 45 T N 0.708 115.293 114.554 0.053 0.000 2.652 45 T HA -0.194 4.156 4.350 0.001 0.000 0.267 45 T C 2.083 176.792 174.700 0.015 0.000 1.039 45 T CA 1.806 63.925 62.100 0.031 0.000 1.153 45 T CB -0.501 68.397 68.868 0.050 0.000 0.863 45 T HN 0.559 nan 8.240 nan 0.000 0.428 46 A N 1.293 124.122 122.820 0.016 0.000 1.933 46 A HA 0.134 4.455 4.320 0.001 0.000 0.218 46 A C 2.589 180.185 177.584 0.019 0.000 1.175 46 A CA 1.877 53.921 52.037 0.012 0.000 0.628 46 A CB -0.984 18.007 19.000 -0.015 0.000 0.814 46 A HN 0.522 nan 8.150 nan 0.000 0.444 47 A N -0.448 122.362 122.820 -0.016 0.000 1.929 47 A HA -0.084 4.237 4.320 0.001 0.000 0.216 47 A C 2.221 179.795 177.584 -0.017 0.000 1.176 47 A CA 1.431 53.455 52.037 -0.022 0.000 0.628 47 A CB -0.478 18.472 19.000 -0.082 0.000 0.816 47 A HN 0.556 nan 8.150 nan 0.000 0.444 48 R N 0.052 120.505 120.500 -0.078 0.000 2.083 48 R HA -0.126 4.214 4.340 0.001 0.000 0.237 48 R C 1.833 178.110 176.300 -0.038 0.000 1.137 48 R CA 2.035 58.071 56.100 -0.108 0.000 0.951 48 R CB -0.410 29.823 30.300 -0.111 0.000 0.851 48 R HN 0.546 nan 8.270 nan 0.000 0.434 49 I N -0.162 120.421 120.570 0.021 0.000 2.315 49 I HA -0.251 3.919 4.170 0.001 0.000 0.248 49 I C 2.222 178.385 176.117 0.075 0.000 1.117 49 I CA 0.963 62.301 61.300 0.063 0.000 1.404 49 I CB -0.466 37.589 38.000 0.091 0.000 1.071 49 I HN 0.240 nan 8.210 nan 0.000 0.419 50 Y N 2.255 122.531 120.300 -0.041 0.000 2.097 50 Y HA -0.348 4.202 4.550 0.000 0.000 0.282 50 Y C 2.681 178.528 175.900 -0.089 0.000 1.152 50 Y CA 2.085 60.154 58.100 -0.051 0.000 1.136 50 Y CB -0.242 38.180 38.460 -0.063 0.000 0.975 50 Y HN -0.018 nan 8.280 nan 0.000 0.498 51 K N -0.319 120.060 120.400 -0.036 0.000 2.063 51 K HA -0.159 4.161 4.320 0.001 0.000 0.208 51 K C 2.276 178.732 176.600 -0.240 0.000 1.048 51 K CA 1.580 57.771 56.287 -0.160 0.000 0.928 51 K CB -0.817 31.605 32.500 -0.130 0.000 0.713 51 K HN 0.489 nan 8.250 nan 0.000 0.442 52 G N -0.118 108.559 108.800 -0.206 0.000 2.432 52 G HA2 -0.199 3.761 3.960 0.001 0.000 0.219 52 G HA3 -0.199 3.761 3.960 0.001 0.000 0.219 52 G C 1.469 176.013 174.900 -0.594 0.000 1.135 52 G CA 0.832 45.748 45.100 -0.306 0.000 0.767 52 G HN 0.496 nan 8.290 nan 0.000 0.550 53 G N 0.640 109.197 108.800 -0.405 0.000 2.421 53 G HA2 -0.045 3.915 3.960 0.001 0.000 0.217 53 G HA3 -0.045 3.915 3.960 0.001 0.000 0.217 53 G C 1.736 176.399 174.900 -0.396 0.000 1.143 53 G CA 0.560 45.434 45.100 -0.377 0.000 0.784 53 G HN 0.437 nan 8.290 nan 0.000 0.541 54 L N 0.863 121.855 121.223 -0.384 0.000 2.131 54 L HA 0.031 4.371 4.340 0.001 0.000 0.206 54 L C 3.108 179.810 176.870 -0.280 0.000 1.087 54 L CA 1.623 56.279 54.840 -0.308 0.000 0.767 54 L CB -0.548 41.333 42.059 -0.296 0.000 0.917 54 L HN 0.364 nan 8.230 nan 0.000 0.441 55 T N -3.995 110.369 114.554 -0.316 0.000 3.057 55 T HA 0.210 4.560 4.350 0.001 0.000 0.254 55 T C 1.494 176.006 174.700 -0.313 0.000 1.094 55 T CA 0.552 62.493 62.100 -0.265 0.000 1.088 55 T CB 0.556 69.288 68.868 -0.226 0.000 0.934 55 T HN 0.449 nan 8.240 nan 0.000 0.497 56 G N 1.399 109.872 108.800 -0.544 0.000 2.157 56 G HA2 -0.269 3.692 3.960 0.001 0.000 0.248 56 G HA3 -0.269 3.692 3.960 0.001 0.000 0.248 56 G C 0.732 175.355 174.900 -0.462 0.000 0.979 56 G CA 0.445 45.181 45.100 -0.607 0.000 0.650 56 G HN 0.554 nan 8.290 nan 0.000 0.529 57 K N -1.093 119.061 120.400 -0.410 0.000 2.356 57 K HA 0.453 4.773 4.320 0.001 0.000 0.195 57 K C 1.447 178.055 176.600 0.013 0.000 1.037 57 K CA 0.253 56.461 56.287 -0.132 0.000 1.014 57 K CB 0.081 32.513 32.500 -0.114 0.000 0.815 57 K HN 0.373 nan 8.250 nan 0.000 0.507 58 F N 0.239 120.174 119.950 -0.026 0.000 2.271 58 F HA -0.444 4.083 4.527 0.001 0.000 0.306 58 F C 1.437 177.236 175.800 -0.002 0.000 1.484 58 F CA 1.850 59.841 58.000 -0.016 0.000 1.166 58 F CB -1.151 37.847 39.000 -0.003 0.000 3.762 58 F HN 0.003 nan 8.300 nan 0.000 0.149 59 E N 0.247 120.606 120.200 0.266 0.000 2.409 59 E HA -0.081 4.270 4.350 0.001 0.000 0.198 59 E C 1.674 178.351 176.600 0.128 0.000 1.024 59 E CA 0.951 57.444 56.400 0.155 0.000 0.861 59 E CB -0.156 29.631 29.700 0.144 0.000 0.788 59 E HN 0.230 nan 8.360 nan 0.000 0.521 60 R N 0.696 121.277 120.500 0.136 0.000 2.310 60 R HA 0.083 4.423 4.340 0.001 0.000 0.202 60 R C 0.501 176.822 176.300 0.034 0.000 0.933 60 R CA 0.091 56.258 56.100 0.111 0.000 1.054 60 R CB -0.042 30.333 30.300 0.124 0.000 0.985 60 R HN 0.136 nan 8.270 nan 0.000 0.489 61 E N 2.057 122.255 120.200 -0.004 0.000 2.409 61 E HA 0.044 4.394 4.350 0.001 0.000 0.257 61 E C -0.692 175.853 176.600 -0.091 0.000 1.150 61 E CA 0.518 56.874 56.400 -0.072 0.000 0.942 61 E CB 0.570 30.205 29.700 -0.109 0.000 0.979 61 E HN -0.108 nan 8.360 nan 0.000 0.447 62 K N 2.424 122.739 120.400 -0.143 0.000 2.422 62 K HA 0.412 4.733 4.320 0.001 0.000 0.251 62 K C -0.684 175.729 176.600 -0.312 0.000 0.933 62 K CA -0.909 55.260 56.287 -0.196 0.000 0.798 62 K CB 1.564 33.968 32.500 -0.160 0.000 1.238 62 K HN 0.394 nan 8.250 nan 0.000 0.428 63 I N 2.678 122.970 120.570 -0.464 0.000 2.428 63 I HA -0.045 4.125 4.170 0.001 0.000 0.289 63 I C 1.922 177.564 176.117 -0.792 0.000 1.019 63 I CA 0.444 61.291 61.300 -0.754 0.000 1.351 63 I CB 1.461 38.768 38.000 -1.155 0.000 1.412 63 I HN 0.900 nan 8.210 nan 0.000 0.513 64 S N 6.018 121.280 115.700 -0.729 0.000 2.368 64 S HA -0.240 4.230 4.470 0.001 0.000 0.226 64 S C 1.509 175.742 174.600 -0.612 0.000 1.044 64 S CA 1.716 59.608 58.200 -0.513 0.000 1.062 64 S CB -0.833 62.151 63.200 -0.359 0.000 0.931 64 S HN 0.808 nan 8.310 nan 0.000 0.440 65 W N 1.982 122.803 121.300 -0.799 0.000 2.699 65 W HA 0.375 5.035 4.660 0.000 0.000 0.249 65 W C 1.402 177.319 176.519 -1.003 0.000 1.280 65 W CA 0.253 56.794 57.345 -1.339 0.000 1.345 65 W CB -0.619 28.140 29.460 -1.168 0.000 1.128 65 W HN 0.281 nan 8.180 nan 0.000 0.642 66 E N 1.040 120.846 120.200 -0.657 0.000 2.478 66 E HA -0.123 4.227 4.350 0.001 0.000 0.198 66 E C 1.597 178.140 176.600 -0.095 0.000 1.046 66 E CA 0.813 57.058 56.400 -0.258 0.000 0.870 66 E CB -0.162 29.367 29.700 -0.285 0.000 0.818 66 E HN 0.465 nan 8.360 nan 0.000 0.527 67 E N 0.300 120.410 120.200 -0.150 0.000 2.427 67 E HA -0.048 4.303 4.350 0.001 0.000 0.196 67 E C 0.065 176.807 176.600 0.238 0.000 1.028 67 E CA 0.284 56.697 56.400 0.022 0.000 0.864 67 E CB 0.090 29.798 29.700 0.014 0.000 0.813 67 E HN 0.132 nan 8.360 nan 0.000 0.514 68 F N 1.760 121.767 119.950 0.094 0.000 2.506 68 F HA 0.003 4.530 4.527 0.001 0.000 0.351 68 F C 1.618 177.468 175.800 0.083 0.000 1.136 68 F CA -0.831 57.244 58.000 0.125 0.000 1.298 68 F CB 0.304 39.435 39.000 0.218 0.000 1.145 68 F HN -0.139 nan 8.300 nan 0.000 0.593 69 D N 1.109 121.606 120.400 0.162 0.000 2.317 69 D HA -0.071 4.569 4.640 0.001 0.000 0.211 69 D C -0.058 176.042 176.300 -0.334 0.000 0.966 69 D CA 1.185 55.094 54.000 -0.150 0.000 0.876 69 D CB 0.083 40.650 40.800 -0.388 0.000 0.927 69 D HN 0.116 nan 8.370 nan 0.000 0.519 70 F N 0.459 120.562 119.950 0.255 0.000 2.449 70 F HA 0.548 5.075 4.527 0.000 0.000 0.342 70 F C 0.278 176.222 175.800 0.240 0.000 1.127 70 F CA -1.056 57.084 58.000 0.233 0.000 0.975 70 F CB 1.815 40.956 39.000 0.236 0.000 1.146 70 F HN -0.286 nan 8.300 nan 0.000 0.444 71 A N 2.097 125.079 122.820 0.270 0.000 2.413 71 A HA 1.015 5.336 4.320 0.001 0.000 0.307 71 A C -1.267 176.338 177.584 0.034 0.000 1.087 71 A CA -0.446 51.606 52.037 0.026 0.000 0.750 71 A CB 1.613 20.573 19.000 -0.067 0.000 1.296 71 A HN 1.076 nan 8.150 nan 0.000 0.423 72 A N 0.415 123.173 122.820 -0.103 0.000 2.602 72 A HA 0.768 5.088 4.320 0.001 0.000 0.290 72 A C -1.496 176.041 177.584 -0.077 0.000 1.114 72 A CA -0.471 51.591 52.037 0.042 0.000 0.683 72 A CB 0.777 19.981 19.000 0.339 0.000 1.281 72 A HN 0.887 nan 8.150 nan 0.000 0.416 73 L N 0.607 121.829 121.223 -0.000 0.000 2.334 73 L HA 0.752 5.092 4.340 0.001 0.000 0.273 73 L C 0.291 177.192 176.870 0.052 0.000 1.013 73 L CA -0.634 54.186 54.840 -0.033 0.000 0.816 73 L CB 2.079 44.114 42.059 -0.041 0.000 1.278 73 L HN 0.626 nan 8.230 nan 0.000 0.431 74 S N 1.636 117.358 115.700 0.037 0.000 2.605 74 S HA 0.404 4.875 4.470 0.001 0.000 0.308 74 S C -0.774 173.875 174.600 0.081 0.000 1.113 74 S CA -0.838 57.417 58.200 0.092 0.000 1.049 74 S CB 0.699 63.949 63.200 0.085 0.000 1.001 74 S HN 0.465 nan 8.310 nan 0.000 0.480 75 K N 3.211 123.668 120.400 0.095 0.000 2.316 75 K HA 0.198 4.518 4.320 0.001 0.000 0.289 75 K C 1.049 177.682 176.600 0.055 0.000 1.070 75 K CA -0.169 56.189 56.287 0.119 0.000 0.928 75 K CB 0.632 33.243 32.500 0.185 0.000 1.039 75 K HN 0.750 nan 8.250 nan 0.000 0.480 76 T N -1.164 113.447 114.554 0.095 0.000 3.040 76 T HA -0.018 4.333 4.350 0.001 0.000 0.250 76 T C 0.674 175.392 174.700 0.030 0.000 1.058 76 T CA -0.391 61.746 62.100 0.062 0.000 0.988 76 T CB -0.443 68.504 68.868 0.133 0.000 0.993 76 T HN 0.518 nan 8.240 nan 0.000 0.519 77 Y N 3.541 123.884 120.300 0.073 0.000 2.757 77 Y HA 0.356 4.906 4.550 0.001 0.000 0.344 77 Y C 0.262 176.195 175.900 0.054 0.000 1.263 77 Y CA -1.465 56.667 58.100 0.053 0.000 1.493 77 Y CB -0.027 38.455 38.460 0.035 0.000 1.342 77 Y HN 0.307 nan 8.280 nan 0.000 0.627 78 N N -0.512 118.255 118.700 0.112 0.000 2.989 78 N HA 0.286 5.026 4.740 0.001 0.000 0.338 78 N C 0.617 176.197 175.510 0.117 0.000 1.369 78 N CA -0.288 52.772 53.050 0.016 0.000 0.794 78 N CB 0.012 38.503 38.487 0.006 0.000 1.359 78 N HN 0.715 nan 8.380 nan 0.000 0.609 79 T N -4.418 110.168 114.554 0.055 0.000 3.035 79 T HA -0.048 4.302 4.350 0.001 0.000 0.268 79 T C 0.242 174.974 174.700 0.053 0.000 1.109 79 T CA 1.340 63.480 62.100 0.068 0.000 1.119 79 T CB -0.559 68.325 68.868 0.027 0.000 0.900 79 T HN 0.695 nan 8.240 nan 0.000 0.503 80 D N -1.297 119.124 120.400 0.036 0.000 2.502 80 D HA 0.193 4.834 4.640 0.001 0.000 0.232 80 D C 0.296 176.610 176.300 0.022 0.000 1.137 80 D CA -0.175 53.834 54.000 0.016 0.000 0.827 80 D CB 0.372 41.162 40.800 -0.016 0.000 1.141 80 D HN 0.119 nan 8.370 nan 0.000 0.517 81 K N 0.675 121.101 120.400 0.044 0.000 2.426 81 K HA 0.334 4.655 4.320 0.001 0.000 0.251 81 K C 0.803 177.454 176.600 0.084 0.000 0.941 81 K CA -0.434 55.876 56.287 0.037 0.000 0.808 81 K CB 2.540 35.047 32.500 0.012 0.000 1.265 81 K HN -0.153 nan 8.250 nan 0.000 0.432 82 Q N -0.014 119.823 119.800 0.063 0.000 2.079 82 Q HA -0.009 4.332 4.340 0.001 0.000 0.200 82 Q C 0.262 176.329 176.000 0.111 0.000 0.974 82 Q CA 1.007 56.861 55.803 0.085 0.000 0.840 82 Q CB 0.258 29.017 28.738 0.035 0.000 0.898 82 Q HN 0.175 nan 8.270 nan 0.000 0.430 83 V N 1.675 121.629 119.914 0.067 0.000 2.294 83 V HA 0.128 4.249 4.120 0.001 0.000 0.272 83 V C 0.097 176.219 176.094 0.047 0.000 1.027 83 V CA -0.440 61.896 62.300 0.059 0.000 0.823 83 V CB 1.146 32.983 31.823 0.023 0.000 1.030 83 V HN 0.104 nan 8.190 nan 0.000 0.457 84 T N 3.794 118.399 114.554 0.085 0.000 2.898 84 T HA 0.201 4.551 4.350 0.001 0.000 0.301 84 T C 0.146 174.902 174.700 0.093 0.000 1.049 84 T CA -0.476 61.672 62.100 0.080 0.000 1.095 84 T CB 0.577 69.511 68.868 0.110 0.000 0.976 84 T HN 0.914 nan 8.240 nan 0.000 0.539 85 D N 2.084 122.522 120.400 0.063 0.000 2.478 85 D HA 0.264 4.904 4.640 0.001 0.000 0.269 85 D C 1.137 177.568 176.300 0.218 0.000 1.232 85 D CA -0.575 53.488 54.000 0.106 0.000 1.059 85 D CB 0.057 40.852 40.800 -0.008 0.000 1.104 85 D HN 0.397 nan 8.370 nan 0.000 0.566 86 S N -0.997 114.884 115.700 0.301 0.000 2.428 86 S HA 0.026 4.496 4.470 0.001 0.000 0.230 86 S C 1.833 176.478 174.600 0.075 0.000 1.014 86 S CA 0.780 59.150 58.200 0.283 0.000 0.957 86 S CB -0.381 63.018 63.200 0.330 0.000 0.784 86 S HN 0.634 nan 8.310 nan 0.000 0.499 87 A N 1.788 124.600 122.820 -0.015 0.000 1.854 87 A HA 0.249 4.570 4.320 0.001 0.000 0.214 87 A C 2.362 179.875 177.584 -0.119 0.000 1.192 87 A CA 1.448 53.417 52.037 -0.113 0.000 0.611 87 A CB -1.148 17.768 19.000 -0.140 0.000 0.832 87 A HN 0.488 nan 8.150 nan 0.000 0.442 88 A N 0.372 123.148 122.820 -0.073 0.000 1.933 88 A HA -0.082 4.238 4.320 0.001 0.000 0.218 88 A C 2.496 180.041 177.584 -0.065 0.000 1.175 88 A CA 2.349 54.341 52.037 -0.075 0.000 0.628 88 A CB -0.916 18.058 19.000 -0.045 0.000 0.814 88 A HN 0.918 nan 8.150 nan 0.000 0.444 89 S N 0.236 115.943 115.700 0.010 0.000 2.368 89 S HA 0.060 4.530 4.470 0.001 0.000 0.224 89 S C 2.138 176.608 174.600 -0.217 0.000 1.029 89 S CA 1.207 59.451 58.200 0.074 0.000 0.988 89 S CB -0.765 62.609 63.200 0.291 0.000 0.838 89 S HN 0.886 nan 8.310 nan 0.000 0.462 90 A N 1.960 124.565 122.820 -0.359 0.000 1.908 90 A HA -0.069 4.251 4.320 0.001 0.000 0.218 90 A C 2.411 179.570 177.584 -0.708 0.000 1.181 90 A CA 2.183 53.676 52.037 -0.906 0.000 0.627 90 A CB -1.766 16.971 19.000 -0.438 0.000 0.818 90 A HN 0.572 nan 8.150 nan 0.000 0.445 91 T N 0.243 114.566 114.554 -0.385 0.000 2.759 91 T HA -0.036 4.314 4.350 0.001 0.000 0.269 91 T C 2.180 176.746 174.700 -0.223 0.000 1.042 91 T CA 1.588 63.521 62.100 -0.279 0.000 1.140 91 T CB -0.424 68.327 68.868 -0.195 0.000 0.864 91 T HN 0.622 nan 8.240 nan 0.000 0.455 92 A N 1.665 124.372 122.820 -0.189 0.000 1.841 92 A HA -0.065 4.255 4.320 0.001 0.000 0.214 92 A C 2.125 179.709 177.584 0.000 0.000 1.195 92 A CA 1.716 53.721 52.037 -0.053 0.000 0.611 92 A CB -1.012 18.002 19.000 0.022 0.000 0.835 92 A HN 0.762 nan 8.150 nan 0.000 0.443 93 Y N -1.301 119.044 120.300 0.074 0.000 2.546 93 Y HA 0.415 4.965 4.550 0.000 0.000 0.287 93 Y C 1.317 177.259 175.900 0.071 0.000 1.158 93 Y CA 0.444 58.632 58.100 0.147 0.000 1.307 93 Y CB -0.449 38.161 38.460 0.250 0.000 1.036 93 Y HN 0.132 nan 8.280 nan 0.000 0.532 94 L N -0.193 120.884 121.223 -0.244 0.000 2.577 94 L HA 0.128 4.468 4.340 0.001 0.000 0.225 94 L C 2.062 178.873 176.870 -0.098 0.000 1.053 94 L CA 1.024 55.748 54.840 -0.194 0.000 0.866 94 L CB 0.010 41.876 42.059 -0.323 0.000 1.132 94 L HN 0.328 nan 8.230 nan 0.000 0.486 95 T N -4.528 109.969 114.554 -0.095 0.000 2.985 95 T HA 0.301 4.652 4.350 0.001 0.000 0.254 95 T C 1.389 176.107 174.700 0.029 0.000 1.021 95 T CA 0.567 62.658 62.100 -0.015 0.000 0.957 95 T CB 0.969 69.796 68.868 -0.067 0.000 1.047 95 T HN 0.329 nan 8.240 nan 0.000 0.511 96 G N 0.610 109.434 108.800 0.039 0.000 2.141 96 G HA2 -0.151 3.809 3.960 0.001 0.000 0.231 96 G HA3 -0.151 3.809 3.960 0.001 0.000 0.231 96 G C -0.100 174.948 174.900 0.247 0.000 0.984 96 G CA -0.070 45.116 45.100 0.144 0.000 0.660 96 G HN 0.861 nan 8.290 nan 0.000 0.525 97 V N 0.674 120.655 119.914 0.112 0.000 2.638 97 V HA 0.486 4.606 4.120 0.001 0.000 0.306 97 V C 0.397 176.502 176.094 0.019 0.000 1.052 97 V CA -1.254 61.093 62.300 0.079 0.000 0.885 97 V CB 1.912 33.769 31.823 0.056 0.000 0.999 97 V HN 0.288 nan 8.190 nan 0.000 0.424 98 K N 1.477 121.884 120.400 0.011 0.000 2.168 98 K HA 0.691 5.012 4.320 0.001 0.000 0.258 98 K C -0.073 176.511 176.600 -0.027 0.000 1.010 98 K CA -0.120 56.151 56.287 -0.026 0.000 0.929 98 K CB 1.460 33.927 32.500 -0.056 0.000 0.998 98 K HN 0.807 nan 8.250 nan 0.000 0.479 99 T N -0.045 114.484 114.554 -0.041 0.000 2.665 99 T HA 0.199 4.550 4.350 0.001 0.000 0.303 99 T C -1.403 173.267 174.700 -0.050 0.000 1.334 99 T CA -0.892 61.179 62.100 -0.047 0.000 1.011 99 T CB 0.845 69.673 68.868 -0.068 0.000 1.573 99 T HN 0.491 nan 8.240 nan 0.000 0.492 100 N N 1.972 120.630 118.700 -0.069 0.000 2.513 100 N HA 0.282 5.022 4.740 0.001 0.000 0.274 100 N C -0.349 175.109 175.510 -0.086 0.000 1.189 100 N CA -0.270 52.737 53.050 -0.073 0.000 0.975 100 N CB 0.689 39.116 38.487 -0.100 0.000 1.157 100 N HN 0.590 nan 8.380 nan 0.000 0.465 101 Q N 0.144 119.900 119.800 -0.073 0.000 2.308 101 Q HA 0.199 4.540 4.340 0.001 0.000 0.313 101 Q C 0.971 176.902 176.000 -0.116 0.000 1.075 101 Q CA 1.516 57.272 55.803 -0.079 0.000 0.995 101 Q CB -0.343 28.353 28.738 -0.070 0.000 1.107 101 Q HN 0.845 nan 8.270 nan 0.000 0.380 102 G N 2.010 110.736 108.800 -0.124 0.000 2.176 102 G HA2 -0.220 3.740 3.960 0.001 0.000 0.253 102 G HA3 -0.220 3.740 3.960 0.001 0.000 0.253 102 G C -0.294 174.476 174.900 -0.215 0.000 0.979 102 G CA -0.000 44.997 45.100 -0.170 0.000 0.641 102 G HN 0.612 nan 8.290 nan 0.000 0.530 103 V N 1.661 121.463 119.914 -0.187 0.000 2.483 103 V HA 0.687 4.807 4.120 0.001 0.000 0.295 103 V C 0.417 176.395 176.094 -0.194 0.000 1.035 103 V CA -0.681 61.499 62.300 -0.200 0.000 0.896 103 V CB 1.797 33.520 31.823 -0.168 0.000 0.986 103 V HN 0.294 nan 8.190 nan 0.000 0.447 104 I N 3.506 123.944 120.570 -0.219 0.000 2.389 104 I HA 0.582 4.752 4.170 0.001 0.000 0.288 104 I C 1.045 176.996 176.117 -0.278 0.000 0.999 104 I CA -0.284 60.863 61.300 -0.254 0.000 1.129 104 I CB 1.581 39.406 38.000 -0.292 0.000 1.288 104 I HN 0.853 nan 8.210 nan 0.000 0.444 105 G N 5.456 114.088 108.800 -0.280 0.000 2.153 105 G HA2 -0.224 3.736 3.960 0.001 0.000 0.252 105 G HA3 -0.224 3.736 3.960 0.001 0.000 0.252 105 G C -0.335 174.477 174.900 -0.146 0.000 0.994 105 G CA -0.040 44.876 45.100 -0.307 0.000 0.698 105 G HN 0.482 nan 8.290 nan 0.000 0.521 106 L N 0.134 121.289 121.223 -0.113 0.000 2.393 106 L HA 0.574 4.914 4.340 0.001 0.000 0.260 106 L C 0.194 177.044 176.870 -0.035 0.000 1.002 106 L CA -1.175 53.645 54.840 -0.034 0.000 0.818 106 L CB 1.712 43.769 42.059 -0.004 0.000 1.369 106 L HN 0.245 nan 8.230 nan 0.000 0.412 107 D N 1.147 121.550 120.400 0.005 0.000 2.447 107 D HA 0.211 4.851 4.640 0.001 0.000 0.265 107 D C 0.807 177.095 176.300 -0.021 0.000 1.250 107 D CA -0.139 53.860 54.000 -0.002 0.000 1.046 107 D CB 1.092 41.906 40.800 0.024 0.000 1.095 107 D HN 0.537 nan 8.370 nan 0.000 0.555 108 A N -0.269 122.539 122.820 -0.019 0.000 2.239 108 A HA -0.116 4.205 4.320 0.001 0.000 0.209 108 A C 1.665 179.214 177.584 -0.059 0.000 1.171 108 A CA 0.347 52.359 52.037 -0.041 0.000 0.768 108 A CB -0.853 18.135 19.000 -0.019 0.000 0.790 108 A HN 0.553 nan 8.150 nan 0.000 0.478 109 N N 0.407 119.090 118.700 -0.028 0.000 2.364 109 N HA -0.072 4.668 4.740 0.001 0.000 0.183 109 N C 0.106 175.496 175.510 -0.200 0.000 1.022 109 N CA 0.845 53.881 53.050 -0.024 0.000 0.883 109 N CB -0.283 38.258 38.487 0.091 0.000 0.965 109 N HN 0.345 nan 8.380 nan 0.000 0.438 110 T N 1.313 115.725 114.554 -0.237 0.000 2.902 110 T HA 0.093 4.443 4.350 0.001 0.000 0.301 110 T C 0.349 174.653 174.700 -0.660 0.000 1.012 110 T CA -0.034 61.746 62.100 -0.533 0.000 1.151 110 T CB 1.569 70.303 68.868 -0.224 0.000 0.946 110 T HN -0.223 nan 8.240 nan 0.000 0.542 111 V N 5.648 124.881 119.914 -1.135 0.000 2.334 111 V HA 0.262 4.382 4.120 0.001 0.000 0.267 111 V C 0.916 176.836 176.094 -0.290 0.000 1.040 111 V CA -0.748 61.206 62.300 -0.576 0.000 0.866 111 V CB 0.670 32.221 31.823 -0.454 0.000 1.019 111 V HN 0.734 nan 8.190 nan 0.000 0.468 112 R N 3.587 123.958 120.500 -0.216 0.000 2.523 112 R HA 0.027 4.368 4.340 0.001 0.000 0.281 112 R C 0.788 177.006 176.300 -0.137 0.000 0.969 112 R CA 1.428 57.412 56.100 -0.194 0.000 1.093 112 R CB 0.082 30.274 30.300 -0.180 0.000 0.917 112 R HN 0.988 nan 8.270 nan 0.000 0.408 113 T N 0.990 115.415 114.554 -0.216 0.000 5.658 113 T HA -0.181 4.169 4.350 0.001 0.000 0.271 113 T C -0.238 174.604 174.700 0.236 0.000 2.170 113 T CA 1.169 63.232 62.100 -0.060 0.000 3.657 113 T CB -1.266 67.615 68.868 0.022 0.000 0.929 113 T HN 0.729 nan 8.240 nan 0.000 1.134 114 N N 0.470 119.297 118.700 0.212 0.000 2.621 114 N HA 0.320 5.060 4.740 0.001 0.000 0.237 114 N C 1.214 176.989 175.510 0.442 0.000 0.997 114 N CA -0.019 53.239 53.050 0.346 0.000 0.918 114 N CB 0.850 39.558 38.487 0.370 0.000 1.122 114 N HN 0.358 nan 8.380 nan 0.000 0.510 115 c N 2.606 121.498 118.600 0.487 0.000 2.403 115 c HA -0.130 4.440 4.570 0.001 0.000 0.279 115 c C 2.342 176.578 174.090 0.243 0.000 1.269 115 c CA 1.552 58.123 56.329 0.403 0.000 1.774 115 c CB -1.017 41.586 42.510 0.154 0.000 1.993 115 c HN 0.769 nan 8.230 nan 0.000 0.496 116 S N -0.351 115.433 115.700 0.140 0.000 2.387 116 S HA -0.224 4.246 4.470 0.001 0.000 0.230 116 S C 1.352 175.925 174.600 -0.046 0.000 1.035 116 S CA 2.090 60.281 58.200 -0.016 0.000 1.014 116 S CB -0.695 62.412 63.200 -0.155 0.000 0.836 116 S HN 0.838 nan 8.310 nan 0.000 0.466 117 Y N 2.072 122.433 120.300 0.101 0.000 2.421 117 Y HA -0.124 4.426 4.550 0.000 0.000 0.292 117 Y C 2.652 178.640 175.900 0.146 0.000 1.136 117 Y CA 1.175 59.333 58.100 0.097 0.000 1.255 117 Y CB -0.421 38.081 38.460 0.069 0.000 0.991 117 Y HN 0.471 nan 8.280 nan 0.000 0.552 118 Q N -0.008 119.972 119.800 0.301 0.000 2.403 118 Q HA 0.013 4.353 4.340 0.001 0.000 0.203 118 Q C 1.061 177.260 176.000 0.332 0.000 0.932 118 Q CA 0.624 56.614 55.803 0.312 0.000 0.945 118 Q CB -0.239 28.659 28.738 0.267 0.000 1.045 118 Q HN 0.517 nan 8.270 nan 0.000 0.511 119 L N 0.299 121.638 121.223 0.192 0.000 2.509 119 L HA 0.184 4.525 4.340 0.001 0.000 0.222 119 L C 0.507 177.378 176.870 0.001 0.000 1.123 119 L CA -0.076 54.821 54.840 0.095 0.000 0.856 119 L CB 0.089 42.165 42.059 0.029 0.000 0.985 119 L HN 0.166 nan 8.230 nan 0.000 0.456 120 D N 0.773 121.188 120.400 0.025 0.000 2.412 120 D HA 0.068 4.708 4.640 0.001 0.000 0.224 120 D C 0.869 177.035 176.300 -0.222 0.000 1.093 120 D CA -0.030 53.922 54.000 -0.079 0.000 0.850 120 D CB 1.241 42.028 40.800 -0.021 0.000 1.046 120 D HN 0.080 nan 8.370 nan 0.000 0.507 121 E N 1.091 120.976 120.200 -0.526 0.000 2.204 121 E HA -0.158 4.193 4.350 0.001 0.000 0.195 121 E C 1.738 178.091 176.600 -0.412 0.000 0.990 121 E CA 0.879 56.697 56.400 -0.970 0.000 0.821 121 E CB 0.284 29.550 29.700 -0.723 0.000 0.750 121 E HN 0.541 nan 8.360 nan 0.000 0.477 122 S N 0.392 115.986 115.700 -0.176 0.000 2.447 122 S HA -0.079 4.391 4.470 0.001 0.000 0.233 122 S C 1.786 176.399 174.600 0.022 0.000 1.006 122 S CA 0.607 58.778 58.200 -0.048 0.000 0.957 122 S CB -0.212 62.974 63.200 -0.023 0.000 0.773 122 S HN 0.214 nan 8.310 nan 0.000 0.507 123 L N -0.043 121.222 121.223 0.070 0.000 2.591 123 L HA 0.345 4.686 4.340 0.001 0.000 0.228 123 L C -0.041 176.959 176.870 0.216 0.000 1.133 123 L CA -0.305 54.624 54.840 0.150 0.000 0.880 123 L CB -0.336 41.843 42.059 0.199 0.000 1.033 123 L HN 0.201 nan 8.230 nan 0.000 0.450 124 F N 1.439 121.288 119.950 -0.169 0.000 2.484 124 F HA 0.161 4.688 4.527 0.000 0.000 0.360 124 F C 1.151 176.680 175.800 -0.451 0.000 1.101 124 F CA -1.027 56.758 58.000 -0.358 0.000 1.251 124 F CB 0.694 39.310 39.000 -0.640 0.000 1.132 124 F HN -0.092 nan 8.300 nan 0.000 0.570 125 T N 1.022 115.431 114.554 -0.241 0.000 2.855 125 T HA 0.645 4.995 4.350 0.001 0.000 0.281 125 T C -1.129 173.364 174.700 -0.345 0.000 1.007 125 T CA -0.726 61.225 62.100 -0.248 0.000 1.009 125 T CB 1.227 70.043 68.868 -0.087 0.000 0.983 125 T HN 0.227 nan 8.240 nan 0.000 0.455 126 Y N 1.181 121.506 120.300 0.042 0.000 2.409 126 Y HA 0.578 5.128 4.550 0.000 0.000 0.339 126 Y C 1.084 176.894 175.900 -0.150 0.000 1.033 126 Y CA -1.122 56.854 58.100 -0.206 0.000 1.094 126 Y CB 1.781 39.869 38.460 -0.621 0.000 1.210 126 Y HN 0.975 nan 8.280 nan 0.000 0.456 127 S N 2.158 117.806 115.700 -0.087 0.000 2.632 127 S HA 0.218 4.688 4.470 0.001 0.000 0.267 127 S C 1.102 175.686 174.600 -0.028 0.000 1.276 127 S CA -0.639 57.525 58.200 -0.061 0.000 0.998 127 S CB 0.674 63.825 63.200 -0.082 0.000 0.953 127 S HN 0.844 nan 8.310 nan 0.000 0.547 128 I N 1.116 121.668 120.570 -0.029 0.000 2.454 128 I HA -0.076 4.095 4.170 0.001 0.000 0.254 128 I C 2.342 178.377 176.117 -0.137 0.000 1.156 128 I CA 1.574 62.883 61.300 0.014 0.000 1.433 128 I CB -0.710 37.158 38.000 -0.220 0.000 1.082 128 I HN 0.864 nan 8.210 nan 0.000 0.432 129 A N 0.035 122.655 122.820 -0.333 0.000 1.902 129 A HA -0.329 3.991 4.320 0.001 0.000 0.217 129 A C 2.143 179.823 177.584 0.160 0.000 1.181 129 A CA 2.105 54.098 52.037 -0.074 0.000 0.623 129 A CB -1.139 17.951 19.000 0.151 0.000 0.818 129 A HN 0.699 nan 8.150 nan 0.000 0.443 130 H N -1.895 117.150 119.070 -0.041 0.000 2.352 130 H HA -0.219 4.337 4.556 0.000 0.000 0.299 130 H C 1.837 177.065 175.328 -0.166 0.000 1.097 130 H CA 2.374 58.313 56.048 -0.182 0.000 1.311 130 H CB -0.327 29.163 29.762 -0.453 0.000 1.377 130 H HN 0.703 nan 8.280 nan 0.000 0.504 131 W N -0.779 120.613 121.300 0.153 0.000 2.381 131 W HA -0.075 4.585 4.660 0.001 0.000 0.301 131 W C 1.990 178.534 176.519 0.042 0.000 1.205 131 W CA 0.166 57.547 57.345 0.059 0.000 1.285 131 W CB -0.459 29.058 29.460 0.094 0.000 1.133 131 W HN 0.114 nan 8.180 nan 0.000 0.521 132 F N 1.073 121.121 119.950 0.164 0.000 2.126 132 F HA -0.281 4.247 4.527 0.001 0.000 0.299 132 F C 2.511 178.363 175.800 0.088 0.000 1.096 132 F CA 1.893 59.969 58.000 0.127 0.000 1.255 132 F CB -1.045 38.043 39.000 0.145 0.000 0.997 132 F HN -0.062 nan 8.300 nan 0.000 0.479 133 Q N -0.209 119.724 119.800 0.222 0.000 2.020 133 Q HA -0.202 4.139 4.340 0.001 0.000 0.202 133 Q C 2.098 178.102 176.000 0.007 0.000 0.982 133 Q CA 1.513 57.381 55.803 0.107 0.000 0.838 133 Q CB -0.360 28.423 28.738 0.075 0.000 0.899 133 Q HN 0.342 nan 8.270 nan 0.000 0.423 134 E N 0.197 120.337 120.200 -0.100 0.000 2.273 134 E HA -0.175 4.176 4.350 0.001 0.000 0.198 134 E C 1.349 177.957 176.600 0.012 0.000 1.002 134 E CA 1.113 57.473 56.400 -0.068 0.000 0.828 134 E CB -0.046 29.625 29.700 -0.047 0.000 0.747 134 E HN 0.331 nan 8.360 nan 0.000 0.491 135 A N -0.234 122.598 122.820 0.020 0.000 2.308 135 A HA 0.374 4.695 4.320 0.001 0.000 0.217 135 A C 1.461 179.047 177.584 0.003 0.000 1.216 135 A CA 0.706 52.736 52.037 -0.012 0.000 0.864 135 A CB 0.126 19.073 19.000 -0.089 0.000 0.902 135 A HN 0.208 nan 8.150 nan 0.000 0.499 136 G N -0.344 108.478 108.800 0.036 0.000 2.182 136 G HA2 -0.228 3.732 3.960 0.001 0.000 0.248 136 G HA3 -0.228 3.732 3.960 0.001 0.000 0.248 136 G C 0.064 175.018 174.900 0.091 0.000 1.042 136 G CA 0.341 45.474 45.100 0.055 0.000 0.775 136 G HN 0.652 nan 8.290 nan 0.000 0.501 137 R N -0.435 120.151 120.500 0.143 0.000 2.832 137 R HA 0.715 5.055 4.340 0.001 0.000 0.271 137 R C 0.179 176.656 176.300 0.295 0.000 0.996 137 R CA -0.545 55.696 56.100 0.234 0.000 0.977 137 R CB 1.349 31.824 30.300 0.292 0.000 1.168 137 R HN 0.160 nan 8.270 nan 0.000 0.482 138 S N 0.402 116.285 115.700 0.306 0.000 2.617 138 S HA 0.425 4.895 4.470 0.001 0.000 0.269 138 S C -0.217 174.551 174.600 0.279 0.000 1.292 138 S CA -0.461 57.886 58.200 0.244 0.000 1.010 138 S CB 1.254 64.547 63.200 0.155 0.000 0.944 138 S HN 0.666 nan 8.310 nan 0.000 0.536 139 T N -1.327 113.330 114.554 0.172 0.000 2.900 139 T HA 0.844 5.194 4.350 0.001 0.000 0.303 139 T C -0.346 174.242 174.700 -0.187 0.000 1.142 139 T CA -0.794 61.341 62.100 0.058 0.000 1.007 139 T CB 1.842 70.786 68.868 0.126 0.000 1.156 139 T HN 0.863 nan 8.240 nan 0.000 0.490 140 G N -0.590 107.973 108.800 -0.394 0.000 2.623 140 G HA2 0.667 4.628 3.960 0.001 0.000 0.290 140 G HA3 0.667 4.628 3.960 0.001 0.000 0.290 140 G C -1.987 172.627 174.900 -0.476 0.000 1.437 140 G CA -0.412 44.397 45.100 -0.487 0.000 0.798 140 G HN 1.303 nan 8.290 nan 0.000 0.488 141 V N -0.507 119.229 119.914 -0.297 0.000 2.888 141 V HA 0.794 4.915 4.120 0.001 0.000 0.309 141 V C -1.308 174.759 176.094 -0.046 0.000 1.114 141 V CA -0.537 61.678 62.300 -0.141 0.000 0.940 141 V CB 2.010 33.841 31.823 0.013 0.000 1.021 141 V HN 0.876 nan 8.190 nan 0.000 0.426 142 V N 5.012 124.903 119.914 -0.038 0.000 2.638 142 V HA 0.853 4.973 4.120 0.001 0.000 0.306 142 V C -0.226 175.896 176.094 0.045 0.000 1.052 142 V CA -0.074 62.234 62.300 0.013 0.000 0.885 142 V CB 2.018 33.828 31.823 -0.022 0.000 0.999 142 V HN 1.078 nan 8.190 nan 0.000 0.424 143 T N 1.275 115.886 114.554 0.094 0.000 2.821 143 T HA 0.346 4.696 4.350 0.001 0.000 0.306 143 T C 0.681 175.449 174.700 0.113 0.000 1.313 143 T CA 0.306 62.467 62.100 0.102 0.000 1.012 143 T CB 1.999 70.952 68.868 0.141 0.000 1.298 143 T HN 0.824 nan 8.240 nan 0.000 0.502 144 S N 0.745 116.493 115.700 0.080 0.000 2.575 144 S HA 0.211 4.681 4.470 0.001 0.000 0.215 144 S C 1.045 175.713 174.600 0.113 0.000 0.966 144 S CA 0.468 58.717 58.200 0.081 0.000 0.911 144 S CB -0.614 62.602 63.200 0.028 0.000 0.780 144 S HN 1.009 nan 8.310 nan 0.000 0.514 145 T N -0.337 114.289 114.554 0.120 0.000 2.892 145 T HA 0.497 4.847 4.350 0.001 0.000 0.280 145 T C 0.021 174.923 174.700 0.337 0.000 1.004 145 T CA -1.100 61.141 62.100 0.234 0.000 0.950 145 T CB 0.553 69.417 68.868 -0.006 0.000 1.309 145 T HN 0.158 nan 8.240 nan 0.000 0.592 146 R N 0.604 121.374 120.500 0.450 0.000 2.623 146 R HA 0.219 4.560 4.340 0.001 0.000 0.271 146 R C 1.716 178.195 176.300 0.298 0.000 1.043 146 R CA 0.189 56.442 56.100 0.255 0.000 1.083 146 R CB 0.621 30.985 30.300 0.106 0.000 0.974 146 R HN 0.636 nan 8.270 nan 0.000 0.436 147 V N -0.562 119.512 119.914 0.266 0.000 3.078 147 V HA -0.138 3.982 4.120 0.001 0.000 0.265 147 V C 1.588 177.911 176.094 0.381 0.000 1.122 147 V CA 1.828 64.305 62.300 0.297 0.000 1.141 147 V CB -0.632 31.321 31.823 0.216 0.000 0.735 147 V HN 0.930 nan 8.190 nan 0.000 0.498 148 T N -3.028 111.728 114.554 0.336 0.000 3.086 148 T HA 0.155 4.505 4.350 0.001 0.000 0.250 148 T C 0.785 175.600 174.700 0.191 0.000 1.074 148 T CA 0.316 62.573 62.100 0.261 0.000 0.988 148 T CB -0.662 68.291 68.868 0.142 0.000 0.988 148 T HN 0.743 nan 8.240 nan 0.000 0.530 149 H N 1.151 120.319 119.070 0.162 0.000 2.895 149 H HA 0.529 5.085 4.556 0.000 0.000 0.371 149 H C 1.670 177.047 175.328 0.082 0.000 1.219 149 H CA 0.435 56.580 56.048 0.161 0.000 1.431 149 H CB 0.567 30.482 29.762 0.256 0.000 1.414 149 H HN 0.057 nan 8.280 nan 0.000 0.617 150 A N 2.587 124.969 122.820 -0.731 0.000 1.908 150 A HA -0.216 4.104 4.320 0.001 0.000 0.218 150 A C 2.334 179.693 177.584 -0.376 0.000 1.181 150 A CA 2.195 53.934 52.037 -0.497 0.000 0.627 150 A CB -1.288 17.465 19.000 -0.413 0.000 0.818 150 A HN 0.866 nan 8.150 nan 0.000 0.445 151 T N 0.689 115.015 114.554 -0.381 0.000 2.595 151 T HA -0.101 4.250 4.350 0.001 0.000 0.264 151 T C -0.079 174.631 174.700 0.017 0.000 1.058 151 T CA 1.776 63.863 62.100 -0.021 0.000 1.166 151 T CB -1.346 67.648 68.868 0.211 0.000 0.863 151 T HN 0.506 nan 8.240 nan 0.000 0.415 152 P HA -0.022 nan 4.420 nan 0.000 0.216 152 P C 1.439 178.763 177.300 0.039 0.000 1.150 152 P CA 1.453 64.659 63.100 0.177 0.000 0.837 152 P CB -0.253 31.623 31.700 0.294 0.000 0.786 153 A N 0.498 123.199 122.820 -0.198 0.000 2.024 153 A HA -0.082 4.238 4.320 0.001 0.000 0.220 153 A C 2.571 179.757 177.584 -0.663 0.000 1.164 153 A CA 1.910 53.511 52.037 -0.727 0.000 0.643 153 A CB -1.921 16.795 19.000 -0.474 0.000 0.806 153 A HN 0.320 nan 8.150 nan 0.000 0.451 154 G N -0.570 108.005 108.800 -0.375 0.000 2.498 154 G HA2 -0.135 3.825 3.960 0.001 0.000 0.219 154 G HA3 -0.135 3.825 3.960 0.001 0.000 0.219 154 G C 1.535 176.272 174.900 -0.272 0.000 1.119 154 G CA 1.720 46.609 45.100 -0.352 0.000 0.766 154 G HN 0.714 nan 8.290 nan 0.000 0.552 155 T N -2.495 111.997 114.554 -0.103 0.000 3.088 155 T HA 0.082 4.432 4.350 0.001 0.000 0.259 155 T C 1.674 176.508 174.700 0.223 0.000 1.122 155 T CA 1.194 63.364 62.100 0.117 0.000 1.095 155 T CB -0.281 68.829 68.868 0.404 0.000 0.930 155 T HN 0.693 nan 8.240 nan 0.000 0.508 156 Y N -0.744 119.532 120.300 -0.040 0.000 2.449 156 Y HA 0.784 5.334 4.550 0.000 0.000 0.278 156 Y C 0.627 176.356 175.900 -0.286 0.000 1.066 156 Y CA -1.025 56.992 58.100 -0.138 0.000 1.166 156 Y CB -0.048 38.288 38.460 -0.206 0.000 1.346 156 Y HN 0.284 nan 8.280 nan 0.000 0.562 157 A N 1.195 123.644 122.820 -0.619 0.000 2.264 157 A HA 0.709 5.029 4.320 0.001 0.000 0.304 157 A C -1.541 175.587 177.584 -0.759 0.000 1.100 157 A CA -0.490 51.244 52.037 -0.504 0.000 0.839 157 A CB 0.081 18.778 19.000 -0.505 0.000 1.121 157 A HN 0.554 nan 8.150 nan 0.000 0.496 158 H N -0.632 118.258 119.070 -0.300 0.000 3.036 158 H HA 0.478 5.034 4.556 0.000 0.000 0.295 158 H C -0.699 174.494 175.328 -0.225 0.000 1.124 158 H CA -0.375 55.406 56.048 -0.444 0.000 1.507 158 H CB 1.419 30.600 29.762 -0.969 0.000 1.591 158 H HN 0.634 nan 8.280 nan 0.000 0.510 159 V N -0.474 119.380 119.914 -0.101 0.000 2.925 159 V HA 0.782 4.902 4.120 0.001 0.000 0.311 159 V C 0.642 176.672 176.094 -0.107 0.000 1.104 159 V CA -0.691 61.606 62.300 -0.004 0.000 0.954 159 V CB 1.976 33.817 31.823 0.030 0.000 1.022 159 V HN 0.648 nan 8.190 nan 0.000 0.427 160 A N 1.411 124.172 122.820 -0.098 0.000 2.206 160 A HA 0.259 4.580 4.320 0.001 0.000 0.211 160 A C 0.657 177.879 177.584 -0.602 0.000 1.158 160 A CA 1.208 53.101 52.037 -0.240 0.000 0.761 160 A CB -0.459 18.533 19.000 -0.014 0.000 0.801 160 A HN 1.003 nan 8.150 nan 0.000 0.473 161 D N -1.295 118.539 120.400 -0.943 0.000 2.861 161 D HA 0.153 4.793 4.640 0.001 0.000 0.216 161 D C 0.859 176.733 176.300 -0.711 0.000 1.323 161 D CA -0.398 53.010 54.000 -0.988 0.000 0.917 161 D CB 1.090 40.959 40.800 -1.552 0.000 1.582 161 D HN 0.262 nan 8.370 nan 0.000 0.576 162 R N 2.075 122.332 120.500 -0.405 0.000 2.200 162 R HA -0.102 4.238 4.340 0.001 0.000 0.234 162 R C 0.477 176.679 176.300 -0.163 0.000 1.127 162 R CA 1.132 57.087 56.100 -0.243 0.000 0.989 162 R CB -0.039 30.147 30.300 -0.189 0.000 0.869 162 R HN 0.139 nan 8.270 nan 0.000 0.459 163 D N 0.313 120.587 120.400 -0.209 0.000 2.263 163 D HA -0.127 4.514 4.640 0.001 0.000 0.208 163 D C 0.015 176.407 176.300 0.153 0.000 0.971 163 D CA 0.712 54.688 54.000 -0.041 0.000 0.867 163 D CB -0.120 40.669 40.800 -0.018 0.000 0.929 163 D HN 0.356 nan 8.370 nan 0.000 0.492 164 W N 2.328 123.606 121.300 -0.038 0.000 1.435 164 W HA 0.170 4.831 4.660 0.001 0.000 0.471 164 W C 1.145 177.627 176.519 -0.062 0.000 0.590 164 W CA -0.799 56.521 57.345 -0.042 0.000 2.419 164 W CB -1.230 28.212 29.460 -0.031 0.000 1.251 164 W HN 0.127 nan 8.180 nan 0.000 0.338 165 E N 0.742 121.012 120.200 0.118 0.000 2.107 165 E HA -0.169 4.181 4.350 0.001 0.000 0.191 165 E C 0.672 177.230 176.600 -0.070 0.000 0.982 165 E CA 1.061 57.471 56.400 0.018 0.000 0.809 165 E CB 0.293 29.991 29.700 -0.004 0.000 0.756 165 E HN 0.388 nan 8.360 nan 0.000 0.459 166 N N -0.712 117.940 118.700 -0.079 0.000 2.831 166 N HA -0.025 4.715 4.740 0.001 0.000 0.276 166 N C 0.068 175.514 175.510 -0.107 0.000 1.416 166 N CA -0.414 52.547 53.050 -0.147 0.000 0.799 166 N CB 0.607 38.958 38.487 -0.225 0.000 1.554 166 N HN -0.246 nan 8.380 nan 0.000 0.541 167 D N -0.898 119.428 120.400 -0.124 0.000 2.219 167 D HA -0.184 4.456 4.640 0.001 0.000 0.205 167 D C 1.318 177.546 176.300 -0.120 0.000 0.970 167 D CA 1.505 55.429 54.000 -0.126 0.000 0.851 167 D CB -0.455 40.280 40.800 -0.108 0.000 0.943 167 D HN 0.523 nan 8.370 nan 0.000 0.488 168 S N 0.623 116.264 115.700 -0.099 0.000 2.423 168 S HA -0.161 4.309 4.470 0.001 0.000 0.231 168 S C 1.453 176.032 174.600 -0.036 0.000 1.014 168 S CA 1.006 59.164 58.200 -0.069 0.000 0.965 168 S CB -0.140 63.016 63.200 -0.073 0.000 0.785 168 S HN 0.097 nan 8.310 nan 0.000 0.495 169 D N 1.181 121.559 120.400 -0.037 0.000 2.162 169 D HA 0.028 4.668 4.640 0.001 0.000 0.203 169 D C 2.154 178.447 176.300 -0.012 0.000 0.967 169 D CA 0.909 54.938 54.000 0.050 0.000 0.840 169 D CB -0.268 40.610 40.800 0.131 0.000 0.972 169 D HN 0.360 nan 8.370 nan 0.000 0.482 170 V N 1.246 120.986 119.914 -0.290 0.000 2.261 170 V HA -0.202 3.918 4.120 0.001 0.000 0.246 170 V C 2.758 178.636 176.094 -0.359 0.000 1.047 170 V CA 1.053 62.927 62.300 -0.710 0.000 1.015 170 V CB -0.517 30.895 31.823 -0.684 0.000 0.642 170 V HN 0.032 nan 8.190 nan 0.000 0.446 171 V N -0.080 119.718 119.914 -0.193 0.000 2.332 171 V HA -0.338 3.782 4.120 0.001 0.000 0.248 171 V C 2.421 178.493 176.094 -0.036 0.000 1.055 171 V CA 2.577 64.812 62.300 -0.108 0.000 1.038 171 V CB -0.944 30.836 31.823 -0.071 0.000 0.651 171 V HN 0.739 nan 8.190 nan 0.000 0.450 172 H N 0.148 119.179 119.070 -0.065 0.000 2.457 172 H HA -0.134 4.422 4.556 0.000 0.000 0.297 172 H C 1.532 176.873 175.328 0.022 0.000 1.092 172 H CA 1.671 57.712 56.048 -0.011 0.000 1.309 172 H CB 0.018 29.789 29.762 0.016 0.000 1.382 172 H HN 0.381 nan 8.280 nan 0.000 0.535 173 D N 0.163 120.606 120.400 0.072 0.000 2.342 173 D HA 0.068 4.708 4.640 0.001 0.000 0.221 173 D C 0.236 176.541 176.300 0.009 0.000 1.101 173 D CA 0.097 54.154 54.000 0.095 0.000 0.837 173 D CB 0.183 41.215 40.800 0.387 0.000 0.938 173 D HN 0.343 nan 8.370 nan 0.000 0.508 174 R N 0.191 120.653 120.500 -0.064 0.000 3.776 174 R HA -0.128 4.213 4.340 0.001 0.000 0.312 174 R C -0.229 176.023 176.300 -0.079 0.000 1.181 174 R CA 0.644 56.704 56.100 -0.068 0.000 0.836 174 R CB -1.677 28.595 30.300 -0.047 0.000 1.324 174 R HN 0.232 nan 8.270 nan 0.000 0.501 175 E N 1.035 121.145 120.200 -0.150 0.000 2.250 175 E HA 0.156 4.506 4.350 0.001 0.000 0.265 175 E C -0.219 176.253 176.600 -0.212 0.000 1.033 175 E CA -0.680 55.595 56.400 -0.209 0.000 0.888 175 E CB 0.888 30.334 29.700 -0.423 0.000 1.151 175 E HN -0.028 nan 8.360 nan 0.000 0.412 176 D N 1.972 122.266 120.400 -0.176 0.000 2.393 176 D HA 0.132 4.773 4.640 0.001 0.000 0.232 176 D C -1.815 174.387 176.300 -0.163 0.000 1.192 176 D CA -2.183 51.733 54.000 -0.140 0.000 0.882 176 D CB 0.949 41.692 40.800 -0.095 0.000 1.038 176 D HN -0.053 nan 8.370 nan 0.000 0.499 177 P HA -0.061 nan 4.420 nan 0.000 0.230 177 P C 0.948 178.183 177.300 -0.109 0.000 1.158 177 P CA 0.611 63.616 63.100 -0.159 0.000 0.769 177 P CB 0.384 32.000 31.700 -0.140 0.000 0.807 178 E N -0.629 119.516 120.200 -0.092 0.000 2.208 178 E HA -0.095 4.256 4.350 0.001 0.000 0.193 178 E C 1.631 178.193 176.600 -0.064 0.000 0.988 178 E CA 0.751 57.107 56.400 -0.072 0.000 0.828 178 E CB -0.140 29.521 29.700 -0.065 0.000 0.763 178 E HN 0.309 nan 8.360 nan 0.000 0.478 179 I N -2.331 118.200 120.570 -0.066 0.000 4.288 179 I HA 0.173 4.343 4.170 0.001 0.000 0.331 179 I C -0.269 175.827 176.117 -0.035 0.000 1.322 179 I CA -0.126 61.147 61.300 -0.045 0.000 1.149 179 I CB 1.120 39.097 38.000 -0.039 0.000 1.112 179 I HN -0.157 nan 8.210 nan 0.000 0.403 180 c N 3.386 121.939 118.600 -0.078 0.000 2.176 180 c HA 0.435 5.005 4.570 0.001 0.000 0.329 180 c C -0.467 173.586 174.090 -0.062 0.000 1.113 180 c CA -0.778 55.503 56.329 -0.080 0.000 1.562 180 c CB -1.210 41.152 42.510 -0.246 0.000 2.040 180 c HN 0.326 nan 8.230 nan 0.000 0.460 181 D N 3.237 123.652 120.400 0.024 0.000 2.417 181 D HA 0.102 4.743 4.640 0.001 0.000 0.250 181 D C 0.530 176.873 176.300 0.072 0.000 1.166 181 D CA 0.632 54.663 54.000 0.051 0.000 0.881 181 D CB 0.742 41.603 40.800 0.102 0.000 1.164 181 D HN 0.634 nan 8.370 nan 0.000 0.467 182 D N 1.358 121.779 120.400 0.036 0.000 2.377 182 D HA 0.057 4.697 4.640 0.001 0.000 0.245 182 D C 1.467 177.808 176.300 0.069 0.000 1.196 182 D CA -0.585 53.449 54.000 0.057 0.000 0.962 182 D CB 1.365 42.154 40.800 -0.018 0.000 1.127 182 D HN 0.227 nan 8.370 nan 0.000 0.471 183 I N 0.591 121.204 120.570 0.072 0.000 2.208 183 I HA -0.293 3.878 4.170 0.001 0.000 0.245 183 I C 2.693 178.872 176.117 0.102 0.000 1.097 183 I CA 1.728 63.083 61.300 0.091 0.000 1.363 183 I CB -0.373 37.658 38.000 0.051 0.000 1.051 183 I HN 0.550 nan 8.210 nan 0.000 0.413 184 A N 0.101 122.864 122.820 -0.095 0.000 1.902 184 A HA -0.256 4.064 4.320 0.001 0.000 0.217 184 A C 2.279 179.765 177.584 -0.164 0.000 1.181 184 A CA 1.830 53.663 52.037 -0.340 0.000 0.623 184 A CB -0.603 17.836 19.000 -0.934 0.000 0.818 184 A HN 0.442 nan 8.150 nan 0.000 0.443 185 E N -0.546 119.615 120.200 -0.064 0.000 2.077 185 E HA -0.229 4.121 4.350 0.001 0.000 0.193 185 E C 2.310 178.987 176.600 0.129 0.000 0.989 185 E CA 1.369 57.819 56.400 0.083 0.000 0.800 185 E CB -0.131 29.673 29.700 0.174 0.000 0.746 185 E HN 0.744 nan 8.360 nan 0.000 0.452 186 Q N 0.055 119.940 119.800 0.142 0.000 2.124 186 Q HA -0.185 4.155 4.340 0.001 0.000 0.202 186 Q C 2.287 178.338 176.000 0.084 0.000 0.977 186 Q CA 0.846 56.753 55.803 0.173 0.000 0.850 186 Q CB -0.114 28.749 28.738 0.208 0.000 0.901 186 Q HN 0.216 nan 8.270 nan 0.000 0.429 187 L N 0.012 121.236 121.223 0.002 0.000 2.083 187 L HA -0.138 4.202 4.340 0.001 0.000 0.209 187 L C 1.923 178.658 176.870 -0.225 0.000 1.083 187 L CA 1.518 56.145 54.840 -0.355 0.000 0.752 187 L CB -0.194 41.635 42.059 -0.383 0.000 0.899 187 L HN -0.019 nan 8.230 nan 0.000 0.433 188 V N -1.710 118.106 119.914 -0.163 0.000 2.685 188 V HA -0.061 4.060 4.120 0.001 0.000 0.244 188 V C 1.828 177.758 176.094 -0.273 0.000 1.054 188 V CA 1.050 63.215 62.300 -0.226 0.000 1.076 188 V CB -0.376 31.202 31.823 -0.407 0.000 0.725 188 V HN 0.276 nan 8.190 nan 0.000 0.467 189 F N 0.162 120.141 119.950 0.049 0.000 2.714 189 F HA 0.355 4.883 4.527 0.000 0.000 0.294 189 F C 1.304 177.122 175.800 0.031 0.000 1.120 189 F CA -0.209 57.812 58.000 0.035 0.000 1.398 189 F CB 0.015 39.035 39.000 0.034 0.000 1.120 189 F HN -0.003 nan 8.300 nan 0.000 0.589 190 R N 0.080 120.688 120.500 0.180 0.000 2.892 190 R HA 0.433 4.774 4.340 0.001 0.000 0.265 190 R C -0.428 175.920 176.300 0.080 0.000 1.025 190 R CA -1.027 55.159 56.100 0.144 0.000 0.982 190 R CB 1.435 31.845 30.300 0.182 0.000 1.185 190 R HN -0.029 nan 8.270 nan 0.000 0.484 191 E N 1.563 121.825 120.200 0.103 0.000 2.349 191 E HA 0.199 4.549 4.350 0.001 0.000 0.265 191 E C -2.070 174.611 176.600 0.135 0.000 1.064 191 E CA -1.592 54.863 56.400 0.091 0.000 0.886 191 E CB 0.621 30.396 29.700 0.124 0.000 1.036 191 E HN 0.244 nan 8.360 nan 0.000 0.413 192 P HA 0.106 nan 4.420 nan 0.000 0.255 192 P C 1.076 178.216 177.300 -0.266 0.000 1.248 192 P CA 0.360 63.494 63.100 0.056 0.000 0.807 192 P CB 0.363 32.193 31.700 0.216 0.000 1.150 193 G N 2.845 111.353 108.800 -0.487 0.000 2.476 193 G HA2 -0.308 3.652 3.960 0.001 0.000 0.218 193 G HA3 -0.308 3.652 3.960 0.001 0.000 0.218 193 G C 1.489 176.067 174.900 -0.536 0.000 1.164 193 G CA 1.178 45.680 45.100 -0.997 0.000 0.768 193 G HN 0.469 nan 8.290 nan 0.000 0.560 194 K N 0.325 120.606 120.400 -0.197 0.000 2.362 194 K HA 0.001 4.321 4.320 0.001 0.000 0.200 194 K C 1.428 178.046 176.600 0.031 0.000 1.046 194 K CA 1.477 57.740 56.287 -0.041 0.000 0.952 194 K CB -0.307 32.191 32.500 -0.003 0.000 0.753 194 K HN 0.416 nan 8.250 nan 0.000 0.466 195 N N -0.248 118.496 118.700 0.073 0.000 2.254 195 N HA 0.089 4.830 4.740 0.001 0.000 0.190 195 N C -0.694 175.065 175.510 0.414 0.000 1.107 195 N CA -0.494 52.688 53.050 0.219 0.000 0.869 195 N CB 0.193 38.794 38.487 0.191 0.000 0.983 195 N HN -0.054 nan 8.380 nan 0.000 0.487 196 F N 2.104 122.182 119.950 0.214 0.000 2.607 196 F HA 0.038 4.565 4.527 0.001 0.000 0.374 196 F C 1.594 177.562 175.800 0.281 0.000 1.104 196 F CA -0.314 57.808 58.000 0.204 0.000 1.296 196 F CB 0.690 39.784 39.000 0.156 0.000 1.085 196 F HN -0.087 nan 8.300 nan 0.000 0.584 197 K N 1.853 122.426 120.400 0.288 0.000 2.243 197 K HA 0.115 4.435 4.320 0.001 0.000 0.201 197 K C 0.032 176.736 176.600 0.174 0.000 1.051 197 K CA 0.643 56.975 56.287 0.074 0.000 0.970 197 K CB 0.022 32.446 32.500 -0.128 0.000 0.755 197 K HN 0.276 nan 8.250 nan 0.000 0.465 198 V N 1.950 121.947 119.914 0.139 0.000 2.577 198 V HA 0.420 4.540 4.120 0.001 0.000 0.303 198 V C -0.689 175.453 176.094 0.080 0.000 1.042 198 V CA -0.720 61.631 62.300 0.085 0.000 0.872 198 V CB 2.164 33.967 31.823 -0.034 0.000 0.998 198 V HN -0.019 nan 8.190 nan 0.000 0.423 199 I N 5.671 126.278 120.570 0.061 0.000 2.497 199 I HA 0.539 4.710 4.170 0.001 0.000 0.284 199 I C -0.656 175.435 176.117 -0.044 0.000 1.060 199 I CA -0.123 61.190 61.300 0.022 0.000 1.071 199 I CB 1.658 39.623 38.000 -0.058 0.000 1.216 199 I HN 0.435 nan 8.210 nan 0.000 0.442 200 M N 4.631 124.244 119.600 0.022 0.000 2.393 200 M HA 0.788 5.268 4.480 0.001 0.000 0.299 200 M C 0.069 176.449 176.300 0.133 0.000 1.103 200 M CA -0.413 54.933 55.300 0.077 0.000 0.910 200 M CB 2.696 35.405 32.600 0.181 0.000 1.659 200 M HN 0.798 nan 8.290 nan 0.000 0.445 201 G N 1.276 110.178 108.800 0.169 0.000 2.441 201 G HA2 0.446 4.407 3.960 0.001 0.000 0.222 201 G HA3 0.446 4.407 3.960 0.001 0.000 0.222 201 G C -1.072 173.945 174.900 0.194 0.000 1.254 201 G CA -0.164 45.066 45.100 0.216 0.000 0.959 201 G HN 0.921 nan 8.290 nan 0.000 0.474 202 G N -2.182 106.728 108.800 0.183 0.000 2.828 202 G HA2 0.660 4.621 3.960 0.001 0.000 0.244 202 G HA3 0.660 4.621 3.960 0.001 0.000 0.244 202 G C 0.994 175.964 174.900 0.117 0.000 1.365 202 G CA 0.610 45.803 45.100 0.155 0.000 1.041 202 G HN 2.402 nan 8.290 nan 0.000 0.560 203 G N -1.212 107.638 108.800 0.082 0.000 2.130 203 G HA2 -0.229 3.731 3.960 0.001 0.000 0.216 203 G HA3 -0.229 3.731 3.960 0.001 0.000 0.216 203 G C 1.175 176.155 174.900 0.133 0.000 0.999 203 G CA 0.704 45.841 45.100 0.061 0.000 0.686 203 G HN 0.663 nan 8.290 nan 0.000 0.515 204 R N 0.281 120.847 120.500 0.110 0.000 2.133 204 R HA -0.211 4.130 4.340 0.001 0.000 0.247 204 R C 2.832 179.264 176.300 0.220 0.000 1.151 204 R CA 1.930 58.180 56.100 0.250 0.000 0.971 204 R CB -0.438 30.059 30.300 0.329 0.000 0.866 204 R HN 0.738 nan 8.270 nan 0.000 0.447 205 R N 0.207 120.521 120.500 -0.309 0.000 2.154 205 R HA -0.132 4.208 4.340 0.001 0.000 0.248 205 R C 1.789 177.737 176.300 -0.586 0.000 1.155 205 R CA 1.872 57.473 56.100 -0.833 0.000 0.979 205 R CB -0.671 28.736 30.300 -1.488 0.000 0.869 205 R HN 0.255 nan 8.270 nan 0.000 0.452 206 G N -0.953 107.663 108.800 -0.306 0.000 3.042 206 G HA2 0.062 4.022 3.960 0.001 0.000 0.212 206 G HA3 0.062 4.022 3.960 0.001 0.000 0.212 206 G C 0.349 174.923 174.900 -0.544 0.000 1.166 206 G CA -0.315 44.532 45.100 -0.423 0.000 0.767 206 G HN 0.331 nan 8.290 nan 0.000 0.546 207 F N -0.079 119.773 119.950 -0.163 0.000 2.706 207 F HA 0.410 4.937 4.527 0.000 0.000 0.313 207 F C 0.002 175.882 175.800 0.133 0.000 1.096 207 F CA -1.018 56.969 58.000 -0.022 0.000 1.219 207 F CB 0.467 39.469 39.000 0.003 0.000 1.051 207 F HN 0.109 nan 8.300 nan 0.000 0.568 208 F N -1.939 118.085 119.950 0.123 0.000 2.645 208 F HA 0.817 5.345 4.527 0.000 0.000 0.310 208 F C -3.350 172.513 175.800 0.106 0.000 1.102 208 F CA -3.449 54.647 58.000 0.161 0.000 0.952 208 F CB 0.546 39.651 39.000 0.176 0.000 1.326 208 F HN -0.364 nan 8.300 nan 0.000 0.456 209 P HA 0.210 nan 4.420 nan 0.000 0.274 209 P C -0.009 177.351 177.300 0.100 0.000 1.256 209 P CA -0.170 62.976 63.100 0.076 0.000 0.795 209 P CB 0.707 32.438 31.700 0.052 0.000 1.038 210 E N 0.203 120.422 120.200 0.033 0.000 2.265 210 E HA -0.213 4.137 4.350 0.001 0.000 0.196 210 E C 0.922 177.590 176.600 0.112 0.000 0.996 210 E CA 1.220 57.655 56.400 0.060 0.000 0.832 210 E CB -0.429 29.286 29.700 0.026 0.000 0.756 210 E HN 0.483 nan 8.360 nan 0.000 0.491 211 E N 0.801 121.073 120.200 0.120 0.000 2.358 211 E HA 0.076 4.427 4.350 0.001 0.000 0.195 211 E C 0.251 176.950 176.600 0.166 0.000 1.010 211 E CA 0.610 57.080 56.400 0.118 0.000 0.856 211 E CB 0.282 30.039 29.700 0.094 0.000 0.795 211 E HN 0.288 nan 8.360 nan 0.000 0.504 212 A N 0.304 123.286 122.820 0.270 0.000 2.311 212 A HA 0.659 4.979 4.320 0.001 0.000 0.334 212 A C -0.716 177.046 177.584 0.297 0.000 1.139 212 A CA -0.626 51.574 52.037 0.272 0.000 0.830 212 A CB 0.777 19.998 19.000 0.368 0.000 1.234 212 A HN 0.124 nan 8.150 nan 0.000 0.483 213 L N 0.750 122.006 121.223 0.054 0.000 2.334 213 L HA 0.350 4.690 4.340 0.001 0.000 0.276 213 L C -0.462 176.261 176.870 -0.245 0.000 1.014 213 L CA -0.921 53.934 54.840 0.025 0.000 0.815 213 L CB 1.791 43.836 42.059 -0.024 0.000 1.268 213 L HN 0.806 nan 8.230 nan 0.000 0.428 214 D N 1.933 122.287 120.400 -0.077 0.000 2.424 214 D HA 0.180 4.821 4.640 0.001 0.000 0.244 214 D C 0.037 176.183 176.300 -0.257 0.000 1.134 214 D CA -0.044 53.852 54.000 -0.173 0.000 0.881 214 D CB 0.770 41.712 40.800 0.236 0.000 1.191 214 D HN 0.195 nan 8.370 nan 0.000 0.445 215 I N 3.699 124.036 120.570 -0.387 0.000 2.710 215 I HA -0.065 4.106 4.170 0.001 0.000 0.286 215 I C 1.411 177.372 176.117 -0.260 0.000 1.181 215 I CA 0.561 61.582 61.300 -0.464 0.000 1.430 215 I CB 0.303 37.763 38.000 -0.900 0.000 1.367 215 I HN 0.738 nan 8.210 nan 0.000 0.577 216 E N 2.464 122.546 120.200 -0.196 0.000 4.252 216 E HA -0.220 4.130 4.350 0.001 0.000 0.153 216 E C 0.397 176.986 176.600 -0.020 0.000 0.999 216 E CA 1.531 57.908 56.400 -0.038 0.000 2.672 216 E CB -0.816 28.916 29.700 0.054 0.000 1.576 216 E HN 0.805 nan 8.360 nan 0.000 0.598 217 D N -0.700 119.683 120.400 -0.029 0.000 2.454 217 D HA 0.191 4.831 4.640 0.001 0.000 0.219 217 D C 1.289 177.554 176.300 -0.058 0.000 1.081 217 D CA 1.108 55.086 54.000 -0.037 0.000 0.867 217 D CB 0.884 41.652 40.800 -0.053 0.000 1.054 217 D HN 0.442 nan 8.370 nan 0.000 0.500 218 G N 1.972 110.736 108.800 -0.061 0.000 2.179 218 G HA2 -0.295 3.665 3.960 0.001 0.000 0.257 218 G HA3 -0.295 3.665 3.960 0.001 0.000 0.257 218 G C 0.269 175.149 174.900 -0.033 0.000 1.010 218 G CA 0.009 45.079 45.100 -0.050 0.000 0.736 218 G HN 0.343 nan 8.290 nan 0.000 0.513 219 I N 1.305 121.835 120.570 -0.067 0.000 2.529 219 I HA 0.224 4.394 4.170 0.001 0.000 0.284 219 I C -1.567 174.609 176.117 0.099 0.000 1.082 219 I CA -2.224 58.993 61.300 -0.138 0.000 1.406 219 I CB 0.930 38.576 38.000 -0.591 0.000 1.405 219 I HN -0.105 nan 8.210 nan 0.000 0.548 220 P HA 0.014 nan 4.420 nan 0.000 0.267 220 P C 0.147 177.634 177.300 0.312 0.000 1.200 220 P CA -0.075 63.164 63.100 0.232 0.000 0.772 220 P CB 0.443 32.213 31.700 0.116 0.000 0.855 221 G N 1.372 110.312 108.800 0.234 0.000 2.634 221 G HA2 0.044 4.004 3.960 0.001 0.000 0.255 221 G HA3 0.044 4.004 3.960 0.001 0.000 0.255 221 G C 0.445 175.203 174.900 -0.236 0.000 1.205 221 G CA -0.338 44.468 45.100 -0.490 0.000 0.884 221 G HN 0.489 nan 8.290 nan 0.000 0.549 222 E N -0.491 119.494 120.200 -0.358 0.000 2.400 222 E HA 0.012 4.362 4.350 0.001 0.000 0.195 222 E C 0.841 177.337 176.600 -0.174 0.000 1.012 222 E CA -0.092 56.188 56.400 -0.201 0.000 0.875 222 E CB 0.313 29.885 29.700 -0.213 0.000 0.859 222 E HN 0.320 nan 8.360 nan 0.000 0.498 223 R N 1.208 121.584 120.500 -0.208 0.000 2.623 223 R HA 0.049 4.389 4.340 0.001 0.000 0.271 223 R C 0.558 176.804 176.300 -0.089 0.000 1.043 223 R CA 0.546 56.561 56.100 -0.142 0.000 1.083 223 R CB 0.435 30.659 30.300 -0.126 0.000 0.974 223 R HN 0.166 nan 8.270 nan 0.000 0.436 224 E N 0.765 120.919 120.200 -0.077 0.000 2.583 224 E HA -0.034 4.317 4.350 0.001 0.000 0.213 224 E C -0.311 176.255 176.600 -0.057 0.000 0.989 224 E CA 0.061 56.427 56.400 -0.056 0.000 0.991 224 E CB 0.556 30.225 29.700 -0.051 0.000 1.040 224 E HN 0.561 nan 8.360 nan 0.000 0.481 225 D N -0.705 119.656 120.400 -0.064 0.000 2.424 225 D HA 0.103 4.744 4.640 0.001 0.000 0.220 225 D C 1.278 177.535 176.300 -0.071 0.000 1.150 225 D CA 0.241 54.204 54.000 -0.061 0.000 0.831 225 D CB 0.248 41.014 40.800 -0.057 0.000 0.981 225 D HN 0.126 nan 8.370 nan 0.000 0.500 226 G N 0.641 109.388 108.800 -0.089 0.000 2.196 226 G HA2 -0.368 3.592 3.960 0.001 0.000 0.268 226 G HA3 -0.368 3.592 3.960 0.001 0.000 0.268 226 G C 0.228 174.979 174.900 -0.248 0.000 0.975 226 G CA 0.411 45.420 45.100 -0.151 0.000 0.648 226 G HN 0.464 nan 8.290 nan 0.000 0.538 227 K N 0.471 120.793 120.400 -0.130 0.000 2.322 227 K HA 0.349 4.669 4.320 0.001 0.000 0.283 227 K C -0.295 176.295 176.600 -0.016 0.000 1.042 227 K CA -0.305 55.947 56.287 -0.059 0.000 0.958 227 K CB 0.343 32.879 32.500 0.060 0.000 0.984 227 K HN 0.535 nan 8.250 nan 0.000 0.473 228 H N 3.635 122.774 119.070 0.115 0.000 2.741 228 H HA 0.102 4.658 4.556 0.000 0.000 0.261 228 H C 0.833 176.225 175.328 0.108 0.000 1.365 228 H CA -0.417 55.703 56.048 0.120 0.000 1.266 228 H CB 0.280 30.093 29.762 0.084 0.000 1.485 228 H HN 0.423 nan 8.280 nan 0.000 0.529 229 L N 1.721 123.079 121.223 0.225 0.000 2.217 229 L HA -0.138 4.202 4.340 0.001 0.000 0.211 229 L C 1.576 178.505 176.870 0.098 0.000 1.107 229 L CA 0.420 55.345 54.840 0.142 0.000 0.783 229 L CB -0.115 42.042 42.059 0.162 0.000 0.919 229 L HN 0.667 nan 8.230 nan 0.000 0.442 230 I N 0.219 120.811 120.570 0.036 0.000 2.252 230 I HA -0.213 3.957 4.170 0.001 0.000 0.245 230 I C 2.798 178.885 176.117 -0.050 0.000 1.102 230 I CA 2.080 63.269 61.300 -0.185 0.000 1.385 230 I CB -1.655 36.028 38.000 -0.529 0.000 1.064 230 I HN 0.391 nan 8.210 nan 0.000 0.414 231 T N -1.381 113.165 114.554 -0.012 0.000 2.821 231 T HA -0.149 4.201 4.350 0.001 0.000 0.267 231 T C 1.562 176.307 174.700 0.074 0.000 1.046 231 T CA 1.225 63.343 62.100 0.031 0.000 1.139 231 T CB -0.404 68.478 68.868 0.023 0.000 0.871 231 T HN 0.154 nan 8.240 nan 0.000 0.454 232 D N 0.389 120.850 120.400 0.102 0.000 2.123 232 D HA -0.076 4.564 4.640 0.001 0.000 0.196 232 D C 1.448 177.786 176.300 0.064 0.000 0.992 232 D CA 0.956 55.018 54.000 0.103 0.000 0.833 232 D CB -0.571 40.296 40.800 0.112 0.000 0.954 232 D HN 0.623 nan 8.370 nan 0.000 0.455 233 W N 1.302 122.522 121.300 -0.134 0.000 2.355 233 W HA -0.112 4.548 4.660 0.000 0.000 0.309 233 W C 2.098 178.540 176.519 -0.129 0.000 1.206 233 W CA 1.144 58.393 57.345 -0.160 0.000 1.284 233 W CB -0.439 28.908 29.460 -0.188 0.000 1.145 233 W HN -0.081 nan 8.180 nan 0.000 0.502 234 L N 0.377 121.671 121.223 0.120 0.000 2.046 234 L HA -0.248 4.092 4.340 0.001 0.000 0.208 234 L C 2.236 179.030 176.870 -0.126 0.000 1.077 234 L CA 1.745 56.575 54.840 -0.018 0.000 0.747 234 L CB -0.931 41.193 42.059 0.108 0.000 0.896 234 L HN -0.091 nan 8.230 nan 0.000 0.432 235 D N -0.308 120.055 120.400 -0.061 0.000 2.117 235 D HA -0.221 4.420 4.640 0.001 0.000 0.197 235 D C 1.753 177.983 176.300 -0.116 0.000 0.987 235 D CA 1.369 55.334 54.000 -0.058 0.000 0.829 235 D CB -0.248 40.549 40.800 -0.005 0.000 0.961 235 D HN 0.288 nan 8.370 nan 0.000 0.460 236 D N 0.264 120.565 120.400 -0.166 0.000 2.104 236 D HA -0.155 4.485 4.640 0.001 0.000 0.194 236 D C 1.734 177.845 176.300 -0.315 0.000 0.994 236 D CA 1.245 55.118 54.000 -0.211 0.000 0.830 236 D CB 0.189 40.843 40.800 -0.243 0.000 0.959 236 D HN -0.118 nan 8.370 nan 0.000 0.452 237 K N 0.444 120.544 120.400 -0.500 0.000 2.057 237 K HA 0.009 4.329 4.320 0.001 0.000 0.207 237 K C 2.104 178.539 176.600 -0.275 0.000 1.049 237 K CA 1.149 57.108 56.287 -0.548 0.000 0.931 237 K CB -0.925 31.106 32.500 -0.783 0.000 0.714 237 K HN 0.230 nan 8.250 nan 0.000 0.440 238 A N 1.627 124.326 122.820 -0.202 0.000 1.898 238 A HA -0.143 4.177 4.320 0.001 0.000 0.216 238 A C 2.290 179.824 177.584 -0.083 0.000 1.181 238 A CA 2.162 54.135 52.037 -0.107 0.000 0.620 238 A CB -0.663 18.294 19.000 -0.071 0.000 0.819 238 A HN 0.431 nan 8.150 nan 0.000 0.442 239 S N -0.463 115.182 115.700 -0.090 0.000 2.474 239 S HA -0.156 4.314 4.470 0.001 0.000 0.235 239 S C 1.533 176.097 174.600 -0.060 0.000 0.997 239 S CA 1.179 59.342 58.200 -0.061 0.000 0.949 239 S CB -0.387 62.783 63.200 -0.049 0.000 0.766 239 S HN 0.695 nan 8.310 nan 0.000 0.517 240 Q N 0.731 120.480 119.800 -0.086 0.000 2.403 240 Q HA 0.308 4.648 4.340 0.001 0.000 0.203 240 Q C 1.163 177.143 176.000 -0.035 0.000 0.932 240 Q CA 0.211 55.977 55.803 -0.062 0.000 0.945 240 Q CB -0.062 28.624 28.738 -0.087 0.000 1.045 240 Q HN 0.759 nan 8.270 nan 0.000 0.511 241 G N 0.511 109.289 108.800 -0.037 0.000 2.176 241 G HA2 -0.270 3.690 3.960 0.001 0.000 0.252 241 G HA3 -0.270 3.690 3.960 0.001 0.000 0.252 241 G C 0.014 174.913 174.900 -0.002 0.000 1.024 241 G CA 0.152 45.243 45.100 -0.016 0.000 0.755 241 G HN 0.501 nan 8.290 nan 0.000 0.507 242 A N -0.406 122.407 122.820 -0.011 0.000 2.311 242 A HA 0.962 5.283 4.320 0.001 0.000 0.334 242 A C 0.546 178.144 177.584 0.024 0.000 1.139 242 A CA 0.498 52.558 52.037 0.038 0.000 0.830 242 A CB 1.042 20.116 19.000 0.122 0.000 1.234 242 A HN 1.659 nan 8.150 nan 0.000 0.483 243 T N -0.818 113.772 114.554 0.061 0.000 2.837 243 T HA 0.714 5.064 4.350 0.001 0.000 0.285 243 T C -0.176 174.580 174.700 0.093 0.000 0.984 243 T CA 0.114 62.246 62.100 0.054 0.000 1.049 243 T CB 1.246 70.144 68.868 0.049 0.000 0.947 243 T HN 1.683 nan 8.240 nan 0.000 0.472 244 A N 2.092 124.955 122.820 0.071 0.000 2.498 244 A HA 0.848 5.168 4.320 0.001 0.000 0.298 244 A C -0.289 177.412 177.584 0.194 0.000 1.075 244 A CA -0.930 51.182 52.037 0.125 0.000 0.714 244 A CB 2.017 20.972 19.000 -0.074 0.000 1.299 244 A HN 1.064 nan 8.150 nan 0.000 0.407 245 S N -0.048 115.837 115.700 0.308 0.000 2.547 245 S HA 0.614 5.084 4.470 0.001 0.000 0.281 245 S C -1.973 172.846 174.600 0.364 0.000 1.118 245 S CA -0.316 58.047 58.200 0.272 0.000 0.947 245 S CB 1.152 64.446 63.200 0.156 0.000 1.053 245 S HN 1.151 nan 8.310 nan 0.000 0.482 246 Y N 5.691 126.091 120.300 0.166 0.000 2.328 246 Y HA 0.631 5.181 4.550 0.000 0.000 0.336 246 Y C -0.613 175.329 175.900 0.070 0.000 0.960 246 Y CA -0.879 57.279 58.100 0.096 0.000 1.134 246 Y CB 1.165 39.714 38.460 0.147 0.000 1.166 246 Y HN 0.636 nan 8.280 nan 0.000 0.464 247 V N 3.498 123.149 119.914 -0.438 0.000 2.864 247 V HA 0.622 4.742 4.120 0.001 0.000 0.314 247 V C -1.034 174.630 176.094 -0.716 0.000 1.073 247 V CA -0.826 61.098 62.300 -0.628 0.000 0.956 247 V CB 1.842 33.449 31.823 -0.360 0.000 1.023 247 V HN 0.953 nan 8.190 nan 0.000 0.435 248 W N 2.738 123.737 121.300 -0.503 0.000 2.055 248 W HA 0.553 5.214 4.660 0.001 0.000 0.293 248 W C -0.212 176.356 176.519 0.082 0.000 0.886 248 W CA 0.101 57.197 57.345 -0.416 0.000 1.384 248 W CB -0.625 28.602 29.460 -0.389 0.000 1.068 248 W HN 0.856 nan 8.180 nan 0.000 0.513 249 N N -0.871 117.819 118.700 -0.016 0.000 2.853 249 N HA 0.339 5.079 4.740 0.001 0.000 0.258 249 N C 0.542 176.068 175.510 0.027 0.000 1.444 249 N CA -0.935 52.179 53.050 0.107 0.000 0.837 249 N CB 1.157 39.596 38.487 -0.081 0.000 1.489 249 N HN -0.068 nan 8.380 nan 0.000 0.529 250 R N -0.443 120.005 120.500 -0.085 0.000 2.070 250 R HA -0.103 4.237 4.340 0.001 0.000 0.233 250 R C 0.269 176.499 176.300 -0.117 0.000 1.137 250 R CA 1.850 57.856 56.100 -0.157 0.000 0.945 250 R CB -0.464 29.745 30.300 -0.152 0.000 0.845 250 R HN 0.652 nan 8.270 nan 0.000 0.430 251 D N 0.590 120.928 120.400 -0.104 0.000 2.123 251 D HA -0.157 4.484 4.640 0.001 0.000 0.196 251 D C 1.464 177.692 176.300 -0.119 0.000 0.992 251 D CA 1.355 55.296 54.000 -0.098 0.000 0.833 251 D CB -0.349 40.399 40.800 -0.087 0.000 0.954 251 D HN 0.288 nan 8.370 nan 0.000 0.455 252 D N -0.033 120.261 120.400 -0.176 0.000 2.144 252 D HA -0.102 4.538 4.640 0.001 0.000 0.200 252 D C 2.143 178.360 176.300 -0.138 0.000 0.978 252 D CA 0.195 54.064 54.000 -0.218 0.000 0.833 252 D CB -0.349 40.186 40.800 -0.442 0.000 0.961 252 D HN 0.139 nan 8.370 nan 0.000 0.470 253 L N 0.602 121.780 121.223 -0.075 0.000 2.012 253 L HA -0.114 4.226 4.340 0.001 0.000 0.210 253 L C 1.962 178.808 176.870 -0.041 0.000 1.073 253 L CA 1.559 56.392 54.840 -0.011 0.000 0.748 253 L CB -0.544 41.537 42.059 0.037 0.000 0.891 253 L HN 0.017 nan 8.230 nan 0.000 0.431 254 L N -0.524 120.661 121.223 -0.063 0.000 2.376 254 L HA -0.033 4.307 4.340 0.001 0.000 0.219 254 L C 2.270 179.111 176.870 -0.049 0.000 1.133 254 L CA 0.693 55.499 54.840 -0.056 0.000 0.816 254 L CB -0.728 41.293 42.059 -0.063 0.000 0.933 254 L HN 0.402 nan 8.230 nan 0.000 0.449 255 A N -0.586 122.200 122.820 -0.057 0.000 2.275 255 A HA 0.171 4.491 4.320 0.001 0.000 0.212 255 A C 0.939 178.500 177.584 -0.040 0.000 1.201 255 A CA -0.164 51.843 52.037 -0.050 0.000 0.843 255 A CB -0.108 18.855 19.000 -0.062 0.000 0.873 255 A HN 0.074 nan 8.150 nan 0.000 0.492 256 V N 1.928 121.820 119.914 -0.036 0.000 2.673 256 V HA -0.025 4.095 4.120 0.001 0.000 0.303 256 V C 0.310 176.396 176.094 -0.014 0.000 1.046 256 V CA -0.004 62.283 62.300 -0.020 0.000 1.126 256 V CB 0.747 32.565 31.823 -0.008 0.000 0.934 256 V HN 0.448 nan 8.190 nan 0.000 0.487 257 D N 4.767 125.163 120.400 -0.006 0.000 2.402 257 D HA 0.096 4.736 4.640 0.001 0.000 0.235 257 D C 1.028 177.326 176.300 -0.003 0.000 1.226 257 D CA -0.346 53.651 54.000 -0.004 0.000 0.918 257 D CB 0.750 41.550 40.800 0.000 0.000 1.043 257 D HN 0.302 nan 8.370 nan 0.000 0.506 258 I N 3.201 123.765 120.570 -0.010 0.000 2.208 258 I HA -0.241 3.929 4.170 0.001 0.000 0.245 258 I C 2.284 178.392 176.117 -0.014 0.000 1.097 258 I CA 0.842 62.133 61.300 -0.015 0.000 1.363 258 I CB -1.376 36.611 38.000 -0.022 0.000 1.051 258 I HN 0.411 nan 8.210 nan 0.000 0.413 259 A N 0.705 123.519 122.820 -0.009 0.000 1.969 259 A HA -0.121 4.199 4.320 0.001 0.000 0.218 259 A C 1.794 179.376 177.584 -0.003 0.000 1.169 259 A CA 1.320 53.352 52.037 -0.007 0.000 0.635 259 A CB -0.440 18.558 19.000 -0.003 0.000 0.810 259 A HN 0.444 nan 8.150 nan 0.000 0.445 260 N N -0.231 118.470 118.700 0.002 0.000 2.235 260 N HA 0.063 4.803 4.740 0.001 0.000 0.209 260 N C -0.724 174.796 175.510 0.016 0.000 1.122 260 N CA 0.324 53.379 53.050 0.009 0.000 0.845 260 N CB 0.616 39.109 38.487 0.010 0.000 1.004 260 N HN 0.209 nan 8.380 nan 0.000 0.499 261 T N 0.620 115.182 114.554 0.013 0.000 2.791 261 T HA 0.228 4.579 4.350 0.001 0.000 0.288 261 T C 0.469 175.174 174.700 0.008 0.000 0.999 261 T CA -0.598 61.519 62.100 0.030 0.000 0.952 261 T CB 2.016 70.907 68.868 0.037 0.000 0.938 261 T HN -0.029 nan 8.240 nan 0.000 0.444 262 D N 1.612 122.027 120.400 0.025 0.000 2.162 262 D HA 0.034 4.675 4.640 0.001 0.000 0.205 262 D C -0.110 176.042 176.300 -0.248 0.000 0.964 262 D CA 1.301 55.256 54.000 -0.074 0.000 0.847 262 D CB 0.351 41.166 40.800 0.026 0.000 0.988 262 D HN 0.487 nan 8.370 nan 0.000 0.480 263 Y N -0.333 120.001 120.300 0.057 0.000 2.462 263 Y HA 0.484 5.034 4.550 0.001 0.000 0.346 263 Y C -0.577 175.506 175.900 0.305 0.000 0.976 263 Y CA -1.140 57.056 58.100 0.159 0.000 1.044 263 Y CB 2.151 40.599 38.460 -0.018 0.000 1.230 263 Y HN -0.263 nan 8.280 nan 0.000 0.455 264 L N 4.913 126.418 121.223 0.470 0.000 2.441 264 L HA 0.625 4.965 4.340 0.001 0.000 0.270 264 L C -1.379 175.602 176.870 0.184 0.000 0.973 264 L CA -0.825 54.208 54.840 0.321 0.000 0.842 264 L CB 1.612 43.755 42.059 0.141 0.000 1.239 264 L HN 0.765 nan 8.230 nan 0.000 0.406 265 M N 4.619 124.218 119.600 -0.002 0.000 2.078 265 M HA 0.759 5.239 4.480 0.001 0.000 0.320 265 M C -0.614 175.571 176.300 -0.191 0.000 0.969 265 M CA -0.257 54.836 55.300 -0.344 0.000 0.929 265 M CB 1.366 33.340 32.600 -1.042 0.000 1.504 265 M HN 0.751 nan 8.290 nan 0.000 0.419 266 G N 6.634 115.263 108.800 -0.286 0.000 2.588 266 G HA2 0.604 4.564 3.960 0.001 0.000 0.312 266 G HA3 0.604 4.564 3.960 0.001 0.000 0.312 266 G C -1.337 172.991 174.900 -0.954 0.000 1.257 266 G CA -0.536 44.165 45.100 -0.664 0.000 0.994 266 G HN 0.724 nan 8.290 nan 0.000 0.498 267 L N 2.946 123.644 121.223 -0.874 0.000 2.318 267 L HA 0.371 4.711 4.340 0.001 0.000 0.277 267 L C -0.142 176.423 176.870 -0.510 0.000 1.008 267 L CA -0.756 53.772 54.840 -0.521 0.000 0.846 267 L CB 1.231 43.186 42.059 -0.174 0.000 1.220 267 L HN 0.526 nan 8.230 nan 0.000 0.423 268 F N 0.292 120.283 119.950 0.069 0.000 2.693 268 F HA 0.227 4.754 4.527 0.001 0.000 0.303 268 F C 1.060 176.932 175.800 0.120 0.000 1.097 268 F CA -0.130 57.923 58.000 0.088 0.000 1.330 268 F CB 0.495 39.522 39.000 0.045 0.000 1.067 268 F HN 0.407 nan 8.300 nan 0.000 0.565 269 S N -1.786 114.057 115.700 0.238 0.000 2.537 269 S HA 0.188 4.658 4.470 0.001 0.000 0.271 269 S C 0.197 174.935 174.600 0.229 0.000 1.148 269 S CA -0.644 57.696 58.200 0.233 0.000 0.868 269 S CB 0.365 63.698 63.200 0.222 0.000 1.115 269 S HN 0.164 nan 8.310 nan 0.000 0.461 270 Y N 3.316 123.693 120.300 0.127 0.000 2.151 270 Y HA 0.010 4.560 4.550 0.001 0.000 0.284 270 Y C 1.567 177.517 175.900 0.083 0.000 1.166 270 Y CA 2.784 60.965 58.100 0.134 0.000 1.163 270 Y CB -0.127 38.402 38.460 0.115 0.000 0.974 270 Y HN 0.754 nan 8.280 nan 0.000 0.511 271 T N -1.837 112.801 114.554 0.141 0.000 2.548 271 T HA 0.263 4.614 4.350 0.001 0.000 0.214 271 T C -0.583 174.124 174.700 0.011 0.000 0.873 271 T CA -0.599 61.479 62.100 -0.037 0.000 1.180 271 T CB -0.106 68.758 68.868 -0.007 0.000 1.960 271 T HN 0.077 nan 8.240 nan 0.000 0.505 272 H N 1.305 120.438 119.070 0.105 0.000 2.771 272 H HA 0.312 4.868 4.556 0.001 0.000 0.364 272 H C 0.225 175.631 175.328 0.130 0.000 1.133 272 H CA -0.031 56.089 56.048 0.120 0.000 1.423 272 H CB 0.072 29.910 29.762 0.126 0.000 1.425 272 H HN 0.380 nan 8.280 nan 0.000 0.606 273 L N 1.983 123.362 121.223 0.260 0.000 2.467 273 L HA -0.021 4.319 4.340 0.001 0.000 0.270 273 L C 0.714 177.681 176.870 0.161 0.000 1.205 273 L CA -0.131 54.825 54.840 0.193 0.000 0.828 273 L CB 0.202 42.358 42.059 0.162 0.000 1.101 273 L HN 0.479 nan 8.230 nan 0.000 0.479 274 D N 0.512 120.988 120.400 0.127 0.000 2.382 274 D HA 0.103 4.743 4.640 0.001 0.000 0.240 274 D C 0.346 176.689 176.300 0.071 0.000 1.146 274 D CA -0.006 54.053 54.000 0.098 0.000 0.897 274 D CB 0.885 41.733 40.800 0.079 0.000 1.197 274 D HN 0.580 nan 8.370 nan 0.000 0.432 275 T N -1.921 112.669 114.554 0.060 0.000 2.856 275 T HA 0.100 4.450 4.350 0.001 0.000 0.306 275 T C 1.664 176.378 174.700 0.023 0.000 1.062 275 T CA -0.914 61.207 62.100 0.035 0.000 1.083 275 T CB 0.680 69.565 68.868 0.028 0.000 0.984 275 T HN 0.077 nan 8.240 nan 0.000 0.542 276 V N 2.087 122.005 119.914 0.007 0.000 2.250 276 V HA -0.176 3.944 4.120 0.001 0.000 0.250 276 V C 2.538 178.641 176.094 0.016 0.000 1.060 276 V CA 1.915 64.219 62.300 0.006 0.000 1.030 276 V CB -0.877 30.946 31.823 -0.000 0.000 0.643 276 V HN 0.818 nan 8.190 nan 0.000 0.445 277 L N 0.286 121.521 121.223 0.021 0.000 2.610 277 L HA -0.027 4.313 4.340 0.001 0.000 0.232 277 L C 2.103 178.992 176.870 0.032 0.000 1.149 277 L CA 1.420 56.278 54.840 0.031 0.000 0.872 277 L CB -0.606 41.476 42.059 0.039 0.000 0.992 277 L HN 0.622 nan 8.230 nan 0.000 0.447 278 T N -3.773 110.800 114.554 0.032 0.000 2.975 278 T HA 0.079 4.429 4.350 0.001 0.000 0.257 278 T C 0.953 175.674 174.700 0.034 0.000 1.003 278 T CA -0.623 61.498 62.100 0.036 0.000 0.932 278 T CB 0.075 68.969 68.868 0.043 0.000 1.087 278 T HN 0.272 nan 8.240 nan 0.000 0.512 279 R N 1.533 122.051 120.500 0.030 0.000 2.643 279 R HA 0.274 4.614 4.340 0.001 0.000 0.270 279 R C -0.755 175.557 176.300 0.021 0.000 1.061 279 R CA -0.500 55.618 56.100 0.029 0.000 1.107 279 R CB 0.111 30.424 30.300 0.020 0.000 0.999 279 R HN -0.019 nan 8.270 nan 0.000 0.460 280 D N 2.211 122.625 120.400 0.024 0.000 2.352 280 D HA 0.104 4.744 4.640 0.001 0.000 0.245 280 D C 0.688 176.989 176.300 0.001 0.000 1.224 280 D CA -0.030 53.980 54.000 0.016 0.000 0.879 280 D CB 1.391 42.207 40.800 0.026 0.000 1.057 280 D HN 0.638 nan 8.370 nan 0.000 0.491 281 A N 4.196 127.011 122.820 -0.007 0.000 2.121 281 A HA -0.121 4.199 4.320 0.001 0.000 0.218 281 A C 1.875 179.441 177.584 -0.032 0.000 1.154 281 A CA 0.889 52.912 52.037 -0.023 0.000 0.679 281 A CB -0.189 18.799 19.000 -0.021 0.000 0.795 281 A HN 0.699 nan 8.150 nan 0.000 0.458 282 E N -0.844 119.344 120.200 -0.019 0.000 2.112 282 E HA -0.049 4.302 4.350 0.001 0.000 0.190 282 E C 1.912 178.498 176.600 -0.024 0.000 0.979 282 E CA 1.006 57.394 56.400 -0.021 0.000 0.814 282 E CB -0.079 29.617 29.700 -0.007 0.000 0.762 282 E HN 0.685 nan 8.360 nan 0.000 0.460 283 M N 0.301 119.897 119.600 -0.008 0.000 2.466 283 M HA 0.049 4.529 4.480 0.001 0.000 0.265 283 M C -0.176 176.118 176.300 -0.010 0.000 1.122 283 M CA 0.510 55.817 55.300 0.012 0.000 1.157 283 M CB 0.278 32.908 32.600 0.050 0.000 1.352 283 M HN -0.201 nan 8.290 nan 0.000 0.464 284 D N 2.284 122.658 120.400 -0.043 0.000 2.217 284 D HA 0.338 4.978 4.640 0.001 0.000 0.243 284 D C -2.323 173.850 176.300 -0.211 0.000 1.054 284 D CA -1.573 52.357 54.000 -0.118 0.000 0.838 284 D CB 1.183 41.956 40.800 -0.044 0.000 1.162 284 D HN 0.027 nan 8.370 nan 0.000 0.472 285 P HA 0.096 nan 4.420 nan 0.000 0.279 285 P C 0.080 177.229 177.300 -0.253 0.000 1.239 285 P CA -0.404 62.473 63.100 -0.371 0.000 0.789 285 P CB 0.723 32.053 31.700 -0.615 0.000 0.933 286 T N 0.083 114.544 114.554 -0.155 0.000 2.788 286 T HA 0.097 4.447 4.350 0.001 0.000 0.287 286 T C 1.382 176.037 174.700 -0.075 0.000 1.007 286 T CA -0.551 61.493 62.100 -0.093 0.000 1.005 286 T CB 0.197 69.028 68.868 -0.061 0.000 1.012 286 T HN 0.150 nan 8.240 nan 0.000 0.530 287 L N 1.770 122.975 121.223 -0.028 0.000 2.012 287 L HA 0.105 4.445 4.340 0.001 0.000 0.210 287 L C -0.742 176.143 176.870 0.026 0.000 1.073 287 L CA 1.912 56.758 54.840 0.010 0.000 0.748 287 L CB -1.343 40.744 42.059 0.046 0.000 0.891 287 L HN 0.587 nan 8.230 nan 0.000 0.431 288 P HA -0.180 nan 4.420 nan 0.000 0.216 288 P C 1.280 178.582 177.300 0.002 0.000 1.150 288 P CA 1.490 64.607 63.100 0.028 0.000 0.837 288 P CB -0.002 31.703 31.700 0.007 0.000 0.786 289 E N -0.959 119.221 120.200 -0.034 0.000 2.077 289 E HA -0.133 4.217 4.350 0.001 0.000 0.193 289 E C 2.049 178.614 176.600 -0.059 0.000 0.989 289 E CA 1.206 57.570 56.400 -0.059 0.000 0.800 289 E CB -0.483 29.158 29.700 -0.099 0.000 0.746 289 E HN 0.232 nan 8.360 nan 0.000 0.452 290 M N 0.216 119.776 119.600 -0.066 0.000 2.117 290 M HA -0.149 4.331 4.480 0.001 0.000 0.262 290 M C 2.413 178.707 176.300 -0.010 0.000 1.065 290 M CA 1.358 56.637 55.300 -0.034 0.000 1.114 290 M CB -0.469 32.122 32.600 -0.014 0.000 1.361 290 M HN 0.078 nan 8.290 nan 0.000 0.408 291 T N 0.614 115.174 114.554 0.009 0.000 2.684 291 T HA -0.204 4.146 4.350 0.001 0.000 0.267 291 T C 1.751 176.455 174.700 0.006 0.000 1.036 291 T CA 1.668 63.781 62.100 0.022 0.000 1.148 291 T CB -0.273 68.662 68.868 0.112 0.000 0.863 291 T HN 0.385 nan 8.240 nan 0.000 0.436 292 K N 0.695 121.100 120.400 0.008 0.000 2.009 292 K HA -0.113 4.207 4.320 0.001 0.000 0.210 292 K C 2.212 178.796 176.600 -0.028 0.000 1.049 292 K CA 1.384 57.670 56.287 -0.002 0.000 0.929 292 K CB -0.344 32.152 32.500 -0.007 0.000 0.714 292 K HN 0.165 nan 8.250 nan 0.000 0.440 293 V N 1.333 121.228 119.914 -0.032 0.000 2.358 293 V HA -0.222 3.898 4.120 0.001 0.000 0.246 293 V C 2.497 178.552 176.094 -0.066 0.000 1.047 293 V CA 1.874 64.151 62.300 -0.039 0.000 1.035 293 V CB -0.759 31.053 31.823 -0.020 0.000 0.658 293 V HN 0.520 nan 8.190 nan 0.000 0.452 294 A N 0.120 122.897 122.820 -0.071 0.000 1.883 294 A HA -0.214 4.107 4.320 0.001 0.000 0.217 294 A C 2.200 179.648 177.584 -0.226 0.000 1.186 294 A CA 2.137 54.098 52.037 -0.127 0.000 0.624 294 A CB -0.580 18.350 19.000 -0.116 0.000 0.822 294 A HN 0.505 nan 8.150 nan 0.000 0.444 295 I N -0.619 119.840 120.570 -0.186 0.000 2.226 295 I HA -0.259 3.911 4.170 0.001 0.000 0.245 295 I C 2.510 178.481 176.117 -0.244 0.000 1.100 295 I CA 1.562 62.711 61.300 -0.251 0.000 1.374 295 I CB -0.492 37.481 38.000 -0.045 0.000 1.057 295 I HN 0.443 nan 8.210 nan 0.000 0.413 296 E N 0.392 120.510 120.200 -0.135 0.000 2.097 296 E HA -0.254 4.096 4.350 0.001 0.000 0.196 296 E C 2.300 178.821 176.600 -0.130 0.000 1.000 296 E CA 1.443 57.783 56.400 -0.099 0.000 0.804 296 E CB -0.068 29.596 29.700 -0.060 0.000 0.740 296 E HN 0.414 nan 8.360 nan 0.000 0.454 297 M N 0.006 119.512 119.600 -0.157 0.000 2.123 297 M HA -0.085 4.395 4.480 0.001 0.000 0.263 297 M C 2.454 178.620 176.300 -0.224 0.000 1.069 297 M CA 1.225 56.432 55.300 -0.155 0.000 1.133 297 M CB -0.683 31.843 32.600 -0.123 0.000 1.356 297 M HN 0.150 nan 8.290 nan 0.000 0.415 298 L N 0.144 121.130 121.223 -0.395 0.000 2.156 298 L HA -0.133 4.207 4.340 0.001 0.000 0.208 298 L C 2.490 179.061 176.870 -0.497 0.000 1.095 298 L CA 1.515 56.029 54.840 -0.544 0.000 0.770 298 L CB -1.010 40.447 42.059 -1.004 0.000 0.914 298 L HN 0.432 nan 8.230 nan 0.000 0.439 299 T N -3.796 110.469 114.554 -0.483 0.000 3.113 299 T HA -0.074 4.276 4.350 0.001 0.000 0.263 299 T C 1.598 176.309 174.700 0.018 0.000 1.143 299 T CA 0.340 62.397 62.100 -0.070 0.000 1.090 299 T CB -0.187 68.702 68.868 0.036 0.000 0.922 299 T HN 0.268 nan 8.240 nan 0.000 0.521 300 K N 1.178 121.553 120.400 -0.041 0.000 2.280 300 K HA -0.050 4.271 4.320 0.001 0.000 0.202 300 K C 0.759 177.379 176.600 0.033 0.000 1.047 300 K CA 0.804 57.088 56.287 -0.004 0.000 0.942 300 K CB -0.148 32.335 32.500 -0.029 0.000 0.739 300 K HN 0.370 nan 8.250 nan 0.000 0.457 301 D N 1.835 122.271 120.400 0.060 0.000 2.344 301 D HA -0.014 4.627 4.640 0.001 0.000 0.253 301 D C 0.394 176.775 176.300 0.135 0.000 1.255 301 D CA 0.243 54.303 54.000 0.100 0.000 0.894 301 D CB 0.774 41.657 40.800 0.138 0.000 1.067 301 D HN 0.092 nan 8.370 nan 0.000 0.492 302 E N 2.389 122.646 120.200 0.096 0.000 2.418 302 E HA -0.112 4.239 4.350 0.001 0.000 0.197 302 E C 0.743 177.400 176.600 0.096 0.000 1.026 302 E CA 0.457 56.912 56.400 0.092 0.000 0.862 302 E CB 0.124 29.863 29.700 0.063 0.000 0.799 302 E HN 0.561 nan 8.360 nan 0.000 0.518 303 N N 0.003 118.765 118.700 0.103 0.000 2.412 303 N HA 0.066 4.806 4.740 0.001 0.000 0.184 303 N C 0.410 175.994 175.510 0.123 0.000 1.101 303 N CA 0.245 53.349 53.050 0.091 0.000 0.881 303 N CB 0.814 39.347 38.487 0.077 0.000 0.969 303 N HN 0.098 nan 8.380 nan 0.000 0.459 304 G N 0.542 109.458 108.800 0.192 0.000 2.479 304 G HA2 0.076 4.036 3.960 0.001 0.000 0.686 304 G HA3 0.076 4.036 3.960 0.001 0.000 0.686 304 G C -1.368 173.782 174.900 0.415 0.000 1.295 304 G CA -0.702 44.542 45.100 0.240 0.000 0.922 304 G HN 0.209 nan 8.290 nan 0.000 0.582 305 F N -2.147 117.988 119.950 0.308 0.000 2.713 305 F HA 0.844 5.371 4.527 0.001 0.000 0.311 305 F C -1.253 174.565 175.800 0.029 0.000 1.141 305 F CA -1.983 56.155 58.000 0.231 0.000 0.939 305 F CB 1.476 40.516 39.000 0.067 0.000 1.325 305 F HN 0.930 nan 8.300 nan 0.000 0.453 306 F N 3.574 123.369 119.950 -0.258 0.000 2.482 306 F HA 0.818 5.345 4.527 0.000 0.000 0.331 306 F C -1.913 173.809 175.800 -0.130 0.000 1.115 306 F CA -1.239 56.404 58.000 -0.596 0.000 0.955 306 F CB 1.760 40.062 39.000 -1.164 0.000 1.136 306 F HN 0.713 nan 8.300 nan 0.000 0.452 307 L N 7.651 128.294 121.223 -0.967 0.000 2.409 307 L HA 0.607 4.947 4.340 0.001 0.000 0.272 307 L C -2.127 174.055 176.870 -1.147 0.000 0.980 307 L CA -0.820 53.553 54.840 -0.780 0.000 0.826 307 L CB 1.723 43.626 42.059 -0.260 0.000 1.268 307 L HN 0.714 nan 8.230 nan 0.000 0.407 308 L N 6.253 126.981 121.223 -0.825 0.000 2.272 308 L HA 0.720 5.060 4.340 0.001 0.000 0.289 308 L C -1.190 175.489 176.870 -0.319 0.000 1.032 308 L CA -0.112 54.449 54.840 -0.464 0.000 0.810 308 L CB 1.529 43.501 42.059 -0.145 0.000 1.205 308 L HN 0.439 nan 8.230 nan 0.000 0.422 309 V N 5.132 124.826 119.914 -0.365 0.000 2.409 309 V HA 0.461 4.582 4.120 0.001 0.000 0.291 309 V C -0.246 175.809 176.094 -0.065 0.000 1.020 309 V CA -0.649 61.493 62.300 -0.262 0.000 0.848 309 V CB 1.382 32.914 31.823 -0.484 0.000 0.990 309 V HN 0.811 nan 8.190 nan 0.000 0.430 310 E N 3.346 123.559 120.200 0.020 0.000 2.158 310 E HA 0.556 4.906 4.350 0.001 0.000 0.271 310 E C 0.254 176.890 176.600 0.061 0.000 0.911 310 E CA -0.645 55.794 56.400 0.064 0.000 0.767 310 E CB 1.720 31.474 29.700 0.090 0.000 1.120 310 E HN 0.828 nan 8.360 nan 0.000 0.405 311 G N 2.963 111.796 108.800 0.054 0.000 2.915 311 G HA2 0.258 4.219 3.960 0.001 0.000 0.298 311 G HA3 0.258 4.219 3.960 0.001 0.000 0.298 311 G C 0.614 175.482 174.900 -0.053 0.000 0.837 311 G CA -0.057 45.051 45.100 0.013 0.000 1.752 311 G HN 0.628 nan 8.290 nan 0.000 0.526 312 G N 1.295 110.041 108.800 -0.090 0.000 2.603 312 G HA2 -0.050 3.910 3.960 0.001 0.000 0.214 312 G HA3 -0.050 3.910 3.960 0.001 0.000 0.214 312 G C 1.528 176.166 174.900 -0.437 0.000 1.140 312 G CA -0.224 44.748 45.100 -0.212 0.000 0.800 312 G HN 0.545 nan 8.290 nan 0.000 0.533 313 R N -0.111 120.182 120.500 -0.345 0.000 2.317 313 R HA 0.310 4.651 4.340 0.001 0.000 0.208 313 R C 1.902 178.039 176.300 -0.272 0.000 0.914 313 R CA -0.275 55.588 56.100 -0.396 0.000 1.060 313 R CB -0.074 30.149 30.300 -0.127 0.000 1.015 313 R HN 0.346 nan 8.270 nan 0.000 0.498 314 I N 1.349 121.769 120.570 -0.250 0.000 2.118 314 I HA -0.357 3.813 4.170 0.001 0.000 0.241 314 I C 2.149 178.081 176.117 -0.309 0.000 1.070 314 I CA 1.787 62.921 61.300 -0.277 0.000 1.327 314 I CB -0.264 37.624 38.000 -0.185 0.000 1.034 314 I HN 0.128 nan 8.210 nan 0.000 0.405 315 D N 0.055 120.342 120.400 -0.189 0.000 2.084 315 D HA -0.217 4.423 4.640 0.001 0.000 0.194 315 D C 2.105 178.430 176.300 0.042 0.000 0.990 315 D CA 1.783 55.756 54.000 -0.046 0.000 0.826 315 D CB -0.117 40.760 40.800 0.129 0.000 0.971 315 D HN 0.450 nan 8.370 nan 0.000 0.453 316 H N -1.252 117.855 119.070 0.061 0.000 2.352 316 H HA -0.102 4.454 4.556 0.001 0.000 0.299 316 H C 1.970 177.306 175.328 0.013 0.000 1.097 316 H CA 0.940 57.045 56.048 0.095 0.000 1.311 316 H CB 0.062 29.796 29.762 -0.048 0.000 1.377 316 H HN 0.198 nan 8.280 nan 0.000 0.504 317 M N -0.088 119.519 119.600 0.011 0.000 2.200 317 M HA -0.125 4.355 4.480 0.001 0.000 0.265 317 M C 1.865 178.108 176.300 -0.095 0.000 1.066 317 M CA 1.350 56.611 55.300 -0.064 0.000 1.127 317 M CB -0.718 31.794 32.600 -0.146 0.000 1.379 317 M HN 0.384 nan 8.290 nan 0.000 0.420 318 H N -0.541 118.374 119.070 -0.260 0.000 2.389 318 H HA -0.085 4.472 4.556 0.001 0.000 0.299 318 H C 2.126 177.184 175.328 -0.450 0.000 1.081 318 H CA 1.234 57.009 56.048 -0.456 0.000 1.345 318 H CB -0.480 28.638 29.762 -1.074 0.000 1.393 318 H HN 0.418 nan 8.280 nan 0.000 0.520 319 H N 0.050 119.093 119.070 -0.045 0.000 2.387 319 H HA -0.021 4.535 4.556 0.001 0.000 0.299 319 H C 1.812 177.135 175.328 -0.009 0.000 1.099 319 H CA 1.278 57.383 56.048 0.095 0.000 1.315 319 H CB -0.097 29.760 29.762 0.158 0.000 1.380 319 H HN 0.338 nan 8.280 nan 0.000 0.513 320 A N -0.101 122.763 122.820 0.073 0.000 2.275 320 A HA 0.046 4.366 4.320 0.001 0.000 0.212 320 A C 0.771 178.307 177.584 -0.079 0.000 1.201 320 A CA 0.295 52.344 52.037 0.020 0.000 0.843 320 A CB -0.413 18.610 19.000 0.039 0.000 0.873 320 A HN 0.619 nan 8.150 nan 0.000 0.492 321 N N -0.955 117.609 118.700 -0.227 0.000 2.741 321 N HA -0.194 4.546 4.740 0.001 0.000 0.250 321 N C -0.347 175.170 175.510 0.012 0.000 1.115 321 N CA 0.602 53.427 53.050 -0.376 0.000 0.724 321 N CB -0.976 37.311 38.487 -0.333 0.000 1.090 321 N HN 0.712 nan 8.380 nan 0.000 0.558 322 Q N 0.519 120.325 119.800 0.011 0.000 3.006 322 Q HA 0.196 4.537 4.340 0.001 0.000 0.260 322 Q C 1.148 177.139 176.000 -0.016 0.000 1.356 322 Q CA -0.327 55.492 55.803 0.025 0.000 1.070 322 Q CB 0.420 29.167 28.738 0.014 0.000 1.507 322 Q HN 0.387 nan 8.270 nan 0.000 0.568 323 I N 0.896 121.440 120.570 -0.044 0.000 2.315 323 I HA -0.254 3.917 4.170 0.001 0.000 0.248 323 I C 2.245 178.210 176.117 -0.253 0.000 1.117 323 I CA 1.558 62.779 61.300 -0.132 0.000 1.404 323 I CB -0.073 37.758 38.000 -0.282 0.000 1.071 323 I HN 0.414 nan 8.210 nan 0.000 0.419 324 R N 0.120 120.479 120.500 -0.235 0.000 2.080 324 R HA -0.219 4.121 4.340 0.001 0.000 0.236 324 R C 2.258 178.430 176.300 -0.213 0.000 1.137 324 R CA 2.031 58.022 56.100 -0.181 0.000 0.943 324 R CB -0.376 29.920 30.300 -0.007 0.000 0.846 324 R HN 0.501 nan 8.270 nan 0.000 0.431 325 Q N -0.332 119.390 119.800 -0.130 0.000 2.124 325 Q HA -0.137 4.204 4.340 0.001 0.000 0.202 325 Q C 2.234 178.108 176.000 -0.210 0.000 0.977 325 Q CA 1.601 57.330 55.803 -0.123 0.000 0.850 325 Q CB -0.088 28.616 28.738 -0.056 0.000 0.901 325 Q HN 0.323 nan 8.270 nan 0.000 0.429 326 S N 0.677 116.210 115.700 -0.278 0.000 2.368 326 S HA -0.095 4.375 4.470 0.001 0.000 0.225 326 S C 1.929 176.298 174.600 -0.385 0.000 1.030 326 S CA 0.807 58.762 58.200 -0.409 0.000 0.999 326 S CB -0.104 62.649 63.200 -0.746 0.000 0.844 326 S HN 0.281 nan 8.310 nan 0.000 0.459 327 L N 0.843 121.798 121.223 -0.447 0.000 2.093 327 L HA -0.026 4.314 4.340 0.001 0.000 0.208 327 L C 2.910 179.457 176.870 -0.539 0.000 1.085 327 L CA 1.093 55.592 54.840 -0.568 0.000 0.755 327 L CB -0.720 40.783 42.059 -0.926 0.000 0.904 327 L HN 0.382 nan 8.230 nan 0.000 0.435 328 A N -0.091 122.446 122.820 -0.473 0.000 1.902 328 A HA -0.182 4.138 4.320 0.001 0.000 0.217 328 A C 2.196 179.721 177.584 -0.097 0.000 1.181 328 A CA 1.404 53.345 52.037 -0.159 0.000 0.623 328 A CB -0.309 18.660 19.000 -0.053 0.000 0.818 328 A HN 0.347 nan 8.150 nan 0.000 0.443 329 E N -0.200 119.921 120.200 -0.133 0.000 2.110 329 E HA -0.127 4.223 4.350 0.001 0.000 0.193 329 E C 2.109 178.664 176.600 -0.076 0.000 0.988 329 E CA 1.668 58.010 56.400 -0.096 0.000 0.804 329 E CB -1.011 28.613 29.700 -0.126 0.000 0.745 329 E HN 0.603 nan 8.360 nan 0.000 0.458 330 T N 2.242 116.732 114.554 -0.107 0.000 2.684 330 T HA -0.098 4.252 4.350 0.001 0.000 0.267 330 T C 2.090 176.781 174.700 -0.015 0.000 1.036 330 T CA 0.848 62.921 62.100 -0.046 0.000 1.148 330 T CB -0.237 68.590 68.868 -0.069 0.000 0.863 330 T HN 0.101 nan 8.240 nan 0.000 0.436 331 L N 0.716 121.915 121.223 -0.040 0.000 2.131 331 L HA -0.111 4.229 4.340 0.001 0.000 0.210 331 L C 2.488 179.346 176.870 -0.020 0.000 1.092 331 L CA 1.241 56.064 54.840 -0.027 0.000 0.759 331 L CB -0.613 41.468 42.059 0.038 0.000 0.903 331 L HN 0.227 nan 8.230 nan 0.000 0.435 332 D N -0.080 120.315 120.400 -0.008 0.000 2.182 332 D HA -0.252 4.389 4.640 0.001 0.000 0.201 332 D C 2.227 178.537 176.300 0.016 0.000 0.986 332 D CA 1.235 55.234 54.000 -0.002 0.000 0.847 332 D CB 0.094 40.892 40.800 -0.004 0.000 0.942 332 D HN 0.173 nan 8.370 nan 0.000 0.467 333 M N -0.309 119.313 119.600 0.037 0.000 2.287 333 M HA -0.078 4.403 4.480 0.001 0.000 0.266 333 M C 1.976 178.309 176.300 0.056 0.000 1.079 333 M CA 1.019 56.365 55.300 0.077 0.000 1.146 333 M CB 0.079 32.740 32.600 0.101 0.000 1.374 333 M HN -0.088 nan 8.290 nan 0.000 0.435 334 E N 0.862 121.106 120.200 0.072 0.000 2.085 334 E HA -0.261 4.089 4.350 0.001 0.000 0.194 334 E C 1.483 178.013 176.600 -0.117 0.000 0.994 334 E CA 1.798 58.168 56.400 -0.050 0.000 0.801 334 E CB -0.089 29.442 29.700 -0.280 0.000 0.743 334 E HN 0.648 nan 8.360 nan 0.000 0.453 335 E N -0.113 120.039 120.200 -0.081 0.000 2.106 335 E HA -0.118 4.232 4.350 0.001 0.000 0.192 335 E C 1.987 178.561 176.600 -0.044 0.000 0.984 335 E CA 0.903 57.263 56.400 -0.068 0.000 0.806 335 E CB -0.102 29.569 29.700 -0.049 0.000 0.750 335 E HN 0.303 nan 8.360 nan 0.000 0.458 336 A N 0.803 123.613 122.820 -0.017 0.000 1.930 336 A HA -0.126 4.195 4.320 0.001 0.000 0.217 336 A C 2.452 180.012 177.584 -0.040 0.000 1.175 336 A CA 0.961 53.032 52.037 0.058 0.000 0.627 336 A CB -0.522 18.609 19.000 0.220 0.000 0.815 336 A HN 0.114 nan 8.150 nan 0.000 0.443 337 V N -0.112 119.561 119.914 -0.402 0.000 2.343 337 V HA -0.229 3.891 4.120 0.001 0.000 0.247 337 V C 2.780 178.797 176.094 -0.128 0.000 1.051 337 V CA 2.344 64.295 62.300 -0.582 0.000 1.036 337 V CB -0.853 30.622 31.823 -0.580 0.000 0.654 337 V HN 0.556 nan 8.190 nan 0.000 0.451 338 S N -0.354 115.287 115.700 -0.098 0.000 2.368 338 S HA -0.270 4.200 4.470 0.001 0.000 0.225 338 S C 1.924 176.532 174.600 0.013 0.000 1.030 338 S CA 2.178 60.356 58.200 -0.036 0.000 0.999 338 S CB -0.424 62.737 63.200 -0.066 0.000 0.844 338 S HN 0.541 nan 8.310 nan 0.000 0.459 339 M N 2.470 122.083 119.600 0.023 0.000 2.080 339 M HA -0.048 4.433 4.480 0.001 0.000 0.260 339 M C 2.012 178.369 176.300 0.096 0.000 1.068 339 M CA 1.793 57.125 55.300 0.053 0.000 1.109 339 M CB -0.925 31.708 32.600 0.055 0.000 1.342 339 M HN 0.227 nan 8.290 nan 0.000 0.405 340 A N 0.000 122.919 122.820 0.164 0.000 1.908 340 A HA -0.138 4.182 4.320 0.001 0.000 0.218 340 A C 2.230 179.913 177.584 0.166 0.000 1.181 340 A CA 1.966 54.132 52.037 0.214 0.000 0.627 340 A CB -1.243 17.998 19.000 0.402 0.000 0.818 340 A HN 0.604 nan 8.150 nan 0.000 0.445 341 L N 0.421 121.733 121.223 0.149 0.000 2.042 341 L HA -0.207 4.133 4.340 0.001 0.000 0.210 341 L C 2.917 179.841 176.870 0.089 0.000 1.076 341 L CA 1.721 56.639 54.840 0.129 0.000 0.749 341 L CB -0.390 41.755 42.059 0.144 0.000 0.893 341 L HN 0.624 nan 8.230 nan 0.000 0.432 342 S N -1.474 114.270 115.700 0.072 0.000 2.515 342 S HA -0.066 4.405 4.470 0.001 0.000 0.231 342 S C 1.693 176.325 174.600 0.053 0.000 0.987 342 S CA 0.616 58.847 58.200 0.051 0.000 0.936 342 S CB -0.084 63.136 63.200 0.034 0.000 0.766 342 S HN 0.415 nan 8.310 nan 0.000 0.528 343 M N 1.461 121.105 119.600 0.072 0.000 2.367 343 M HA 0.174 4.655 4.480 0.001 0.000 0.256 343 M C 0.275 176.627 176.300 0.088 0.000 1.091 343 M CA 0.266 55.609 55.300 0.072 0.000 1.049 343 M CB 0.944 33.592 32.600 0.080 0.000 1.406 343 M HN 0.499 nan 8.290 nan 0.000 0.498 344 T N -3.341 111.270 114.554 0.094 0.000 2.888 344 T HA 0.420 4.770 4.350 0.001 0.000 0.288 344 T C -1.091 173.649 174.700 0.066 0.000 1.063 344 T CA -0.906 61.253 62.100 0.098 0.000 1.010 344 T CB 2.301 71.242 68.868 0.122 0.000 1.214 344 T HN -0.146 nan 8.240 nan 0.000 0.533 345 D N 1.291 121.724 120.400 0.056 0.000 2.392 345 D HA 0.386 5.027 4.640 0.001 0.000 0.228 345 D C -1.609 174.702 176.300 0.019 0.000 1.074 345 D CA -2.657 51.365 54.000 0.036 0.000 0.838 345 D CB 1.776 42.599 40.800 0.037 0.000 1.067 345 D HN 0.137 nan 8.370 nan 0.000 0.511 346 P HA -0.076 nan 4.420 nan 0.000 0.228 346 P C 0.655 177.944 177.300 -0.019 0.000 1.151 346 P CA 0.628 63.718 63.100 -0.016 0.000 0.770 346 P CB 0.552 32.237 31.700 -0.024 0.000 0.786 347 E N 0.288 120.483 120.200 -0.009 0.000 2.358 347 E HA -0.116 4.234 4.350 0.001 0.000 0.195 347 E C 1.528 178.125 176.600 -0.006 0.000 1.010 347 E CA 0.811 57.203 56.400 -0.014 0.000 0.856 347 E CB -0.016 29.680 29.700 -0.007 0.000 0.795 347 E HN 0.648 nan 8.360 nan 0.000 0.504 348 E N -0.696 119.506 120.200 0.004 0.000 2.639 348 E HA 0.102 4.452 4.350 0.001 0.000 0.225 348 E C -0.162 176.439 176.600 0.002 0.000 0.921 348 E CA -0.057 56.351 56.400 0.012 0.000 1.184 348 E CB 0.507 30.221 29.700 0.024 0.000 1.160 348 E HN -0.209 nan 8.360 nan 0.000 0.547 349 T N 2.102 116.651 114.554 -0.009 0.000 2.786 349 T HA 0.464 4.814 4.350 0.001 0.000 0.283 349 T C -0.238 174.450 174.700 -0.020 0.000 0.992 349 T CA -0.458 61.623 62.100 -0.031 0.000 0.954 349 T CB 1.340 70.197 68.868 -0.020 0.000 0.934 349 T HN 0.107 nan 8.240 nan 0.000 0.440 350 I N 4.117 124.684 120.570 -0.005 0.000 2.371 350 I HA 0.361 4.532 4.170 0.001 0.000 0.290 350 I C -0.176 175.935 176.117 -0.009 0.000 1.028 350 I CA -0.381 60.921 61.300 0.003 0.000 1.345 350 I CB 0.733 38.773 38.000 0.067 0.000 1.407 350 I HN 0.462 nan 8.210 nan 0.000 0.501 351 I N 7.771 128.323 120.570 -0.030 0.000 2.355 351 I HA 0.377 4.547 4.170 0.001 0.000 0.288 351 I C -0.646 175.508 176.117 0.062 0.000 0.999 351 I CA -0.462 60.885 61.300 0.079 0.000 1.163 351 I CB 1.687 39.795 38.000 0.179 0.000 1.316 351 I HN 0.425 nan 8.210 nan 0.000 0.454 352 L N 7.857 129.094 121.223 0.024 0.000 2.362 352 L HA 0.720 5.060 4.340 0.001 0.000 0.275 352 L C -1.306 175.480 176.870 -0.139 0.000 0.998 352 L CA -0.544 54.199 54.840 -0.162 0.000 0.820 352 L CB 1.827 43.578 42.059 -0.512 0.000 1.270 352 L HN 0.279 nan 8.230 nan 0.000 0.415 353 V N 4.014 123.854 119.914 -0.124 0.000 2.540 353 V HA 0.723 4.843 4.120 0.001 0.000 0.302 353 V C -0.079 175.922 176.094 -0.156 0.000 1.035 353 V CA -0.267 61.891 62.300 -0.236 0.000 0.873 353 V CB 1.722 33.128 31.823 -0.696 0.000 0.992 353 V HN 0.902 nan 8.190 nan 0.000 0.428 354 T N 2.482 116.933 114.554 -0.171 0.000 2.671 354 T HA 0.841 5.191 4.350 0.001 0.000 0.300 354 T C -1.287 173.362 174.700 -0.085 0.000 1.238 354 T CA 0.254 62.305 62.100 -0.082 0.000 1.020 354 T CB 1.943 70.702 68.868 -0.182 0.000 1.503 354 T HN 1.076 nan 8.240 nan 0.000 0.497 355 A N 0.622 123.392 122.820 -0.083 0.000 2.384 355 A HA 0.653 4.973 4.320 0.001 0.000 0.312 355 A C 0.626 178.088 177.584 -0.203 0.000 1.113 355 A CA -0.185 51.774 52.037 -0.130 0.000 0.779 355 A CB 1.191 20.156 19.000 -0.059 0.000 1.307 355 A HN 0.884 nan 8.150 nan 0.000 0.436 356 D N -0.155 120.094 120.400 -0.251 0.000 2.194 356 D HA 0.088 4.729 4.640 0.001 0.000 0.204 356 D C 0.452 176.768 176.300 0.027 0.000 0.964 356 D CA 1.887 55.847 54.000 -0.065 0.000 0.846 356 D CB -0.298 40.596 40.800 0.158 0.000 0.962 356 D HN 0.823 nan 8.370 nan 0.000 0.490 357 H N -3.986 115.089 119.070 0.008 0.000 2.904 357 H HA 0.618 5.174 4.556 0.000 0.000 0.290 357 H C -0.005 175.306 175.328 -0.027 0.000 1.437 357 H CA -0.909 55.133 56.048 -0.010 0.000 1.147 357 H CB 0.890 30.619 29.762 -0.056 0.000 1.824 357 H HN 0.041 nan 8.280 nan 0.000 0.505 358 G N -1.165 107.728 108.800 0.155 0.000 2.606 358 G HA2 0.506 4.466 3.960 0.001 0.000 0.262 358 G HA3 0.506 4.466 3.960 0.001 0.000 0.262 358 G C -1.186 173.806 174.900 0.154 0.000 1.394 358 G CA -0.513 44.664 45.100 0.127 0.000 1.044 358 G HN 0.763 nan 8.290 nan 0.000 0.553 359 H N -2.669 116.420 119.070 0.031 0.000 2.985 359 H HA 0.411 4.968 4.556 0.001 0.000 0.360 359 H C 0.368 175.675 175.328 -0.037 0.000 1.221 359 H CA 0.073 56.097 56.048 -0.039 0.000 1.121 359 H CB 2.020 31.610 29.762 -0.286 0.000 1.854 359 H HN 0.536 nan 8.280 nan 0.000 0.551 360 T N 0.943 115.594 114.554 0.161 0.000 3.500 360 T HA 0.145 4.495 4.350 0.001 0.000 0.244 360 T C 0.194 174.956 174.700 0.104 0.000 0.962 360 T CA -0.461 61.725 62.100 0.145 0.000 0.932 360 T CB -0.958 68.014 68.868 0.174 0.000 1.096 360 T HN 0.159 nan 8.240 nan 0.000 0.617 361 L N 3.104 124.282 121.223 -0.075 0.000 2.380 361 L HA 0.558 4.899 4.340 0.001 0.000 0.273 361 L C 0.290 177.058 176.870 -0.171 0.000 1.138 361 L CA 0.468 55.104 54.840 -0.340 0.000 0.832 361 L CB 0.938 42.758 42.059 -0.398 0.000 1.124 361 L HN 0.547 nan 8.230 nan 0.000 0.454 362 T N 2.886 117.329 114.554 -0.185 0.000 2.906 362 T HA 0.646 4.997 4.350 0.001 0.000 0.295 362 T C -0.421 174.229 174.700 -0.083 0.000 1.061 362 T CA -0.690 61.357 62.100 -0.089 0.000 1.000 362 T CB 1.073 69.913 68.868 -0.046 0.000 1.103 362 T HN 0.461 nan 8.240 nan 0.000 0.486 363 I N 3.378 123.919 120.570 -0.049 0.000 2.428 363 I HA 0.300 4.470 4.170 0.001 0.000 0.279 363 I C 0.885 176.976 176.117 -0.044 0.000 1.040 363 I CA -0.770 60.512 61.300 -0.031 0.000 1.171 363 I CB 1.414 39.404 38.000 -0.017 0.000 1.312 363 I HN 0.936 nan 8.210 nan 0.000 0.470 364 T N 2.077 116.611 114.554 -0.033 0.000 2.874 364 T HA 0.620 4.971 4.350 0.001 0.000 0.281 364 T C 0.499 175.118 174.700 -0.136 0.000 0.994 364 T CA -0.556 61.493 62.100 -0.085 0.000 1.015 364 T CB 1.820 70.658 68.868 -0.050 0.000 1.028 364 T HN 0.524 nan 8.240 nan 0.000 0.523 365 G N -0.415 108.145 108.800 -0.399 0.000 2.522 365 G HA2 0.533 4.493 3.960 0.001 0.000 0.304 365 G HA3 0.533 4.493 3.960 0.001 0.000 0.304 365 G C -1.489 173.296 174.900 -0.192 0.000 1.210 365 G CA -0.876 43.831 45.100 -0.655 0.000 0.960 365 G HN 0.744 nan 8.290 nan 0.000 0.497 366 Y N 0.287 120.677 120.300 0.151 0.000 2.584 366 Y HA 0.528 5.079 4.550 0.001 0.000 0.358 366 Y C 0.836 176.767 175.900 0.053 0.000 1.028 366 Y CA -0.803 57.347 58.100 0.083 0.000 1.148 366 Y CB 0.679 39.178 38.460 0.063 0.000 1.126 366 Y HN 0.713 nan 8.280 nan 0.000 0.658 367 A N 0.575 123.472 122.820 0.130 0.000 2.425 367 A HA 0.264 4.584 4.320 0.001 0.000 0.242 367 A C 0.143 177.772 177.584 0.074 0.000 1.077 367 A CA -0.397 51.691 52.037 0.085 0.000 0.781 367 A CB 0.292 19.329 19.000 0.062 0.000 1.020 367 A HN 0.469 nan 8.150 nan 0.000 0.494 368 D N 1.044 121.466 120.400 0.037 0.000 2.361 368 D HA 0.131 4.771 4.640 0.001 0.000 0.239 368 D C 0.617 176.905 176.300 -0.019 0.000 1.200 368 D CA 0.164 54.168 54.000 0.008 0.000 0.915 368 D CB 0.382 41.169 40.800 -0.022 0.000 1.170 368 D HN 0.348 nan 8.370 nan 0.000 0.444 369 R N 1.247 121.729 120.500 -0.030 0.000 2.698 369 R HA -0.026 4.314 4.340 0.001 0.000 0.266 369 R C 0.667 176.853 176.300 -0.189 0.000 1.026 369 R CA 0.425 56.490 56.100 -0.059 0.000 1.102 369 R CB -0.245 30.034 30.300 -0.035 0.000 0.978 369 R HN 0.640 nan 8.270 nan 0.000 0.436 370 N N -0.854 117.658 118.700 -0.313 0.000 2.948 370 N HA -0.166 4.575 4.740 0.001 0.000 0.239 370 N C -0.768 174.437 175.510 -0.508 0.000 0.954 370 N CA 0.924 53.454 53.050 -0.866 0.000 0.941 370 N CB -0.817 37.029 38.487 -1.068 0.000 1.101 370 N HN 0.532 nan 8.380 nan 0.000 0.579 371 T N 1.369 115.816 114.554 -0.178 0.000 2.884 371 T HA 0.033 4.383 4.350 0.001 0.000 0.298 371 T C 0.120 174.847 174.700 0.044 0.000 0.998 371 T CA -0.215 61.853 62.100 -0.052 0.000 1.124 371 T CB 1.450 70.314 68.868 -0.006 0.000 0.931 371 T HN 0.034 nan 8.240 nan 0.000 0.531 372 D N 2.103 122.547 120.400 0.073 0.000 2.472 372 D HA -0.062 4.579 4.640 0.001 0.000 0.248 372 D C 1.062 177.423 176.300 0.102 0.000 1.174 372 D CA -0.377 53.688 54.000 0.109 0.000 0.883 372 D CB 0.437 41.286 40.800 0.083 0.000 1.149 372 D HN 0.348 nan 8.370 nan 0.000 0.488 373 I N 4.318 124.963 120.570 0.126 0.000 2.657 373 I HA -0.201 3.969 4.170 0.001 0.000 0.261 373 I C 1.656 177.838 176.117 0.107 0.000 1.212 373 I CA 1.118 62.485 61.300 0.112 0.000 1.453 373 I CB 0.069 38.143 38.000 0.122 0.000 1.092 373 I HN 0.532 nan 8.210 nan 0.000 0.452 374 L N -0.499 120.799 121.223 0.125 0.000 2.628 374 L HA 0.137 4.478 4.340 0.001 0.000 0.229 374 L C 0.709 177.664 176.870 0.142 0.000 1.137 374 L CA -0.197 54.734 54.840 0.152 0.000 0.909 374 L CB -0.434 41.720 42.059 0.157 0.000 1.137 374 L HN 0.111 nan 8.230 nan 0.000 0.470 375 D N -0.493 119.938 120.400 0.051 0.000 2.451 375 D HA 0.165 4.805 4.640 0.001 0.000 0.259 375 D C -0.018 176.217 176.300 -0.110 0.000 1.201 375 D CA -0.358 53.589 54.000 -0.088 0.000 1.028 375 D CB 0.800 41.598 40.800 -0.003 0.000 1.095 375 D HN -0.258 nan 8.370 nan 0.000 0.539 376 F N -0.072 119.894 119.950 0.026 0.000 2.496 376 F HA 0.260 4.787 4.527 0.001 0.000 0.344 376 F C 1.415 177.177 175.800 -0.063 0.000 1.155 376 F CA -0.209 57.769 58.000 -0.037 0.000 1.302 376 F CB 0.458 39.401 39.000 -0.095 0.000 1.159 376 F HN 0.346 nan 8.300 nan 0.000 0.595 377 A N 1.379 124.233 122.820 0.057 0.000 2.014 377 A HA 0.607 4.927 4.320 0.001 0.000 0.210 377 A C 1.088 178.547 177.584 -0.208 0.000 1.188 377 A CA 0.964 52.977 52.037 -0.041 0.000 0.731 377 A CB -0.428 18.634 19.000 0.102 0.000 0.858 377 A HN 1.023 nan 8.150 nan 0.000 0.464 378 G N -1.501 106.989 108.800 -0.516 0.000 2.360 378 G HA2 0.397 4.358 3.960 0.001 0.000 0.276 378 G HA3 0.397 4.358 3.960 0.001 0.000 0.276 378 G C -1.626 172.978 174.900 -0.493 0.000 1.256 378 G CA -0.470 44.392 45.100 -0.397 0.000 0.890 378 G HN 0.244 nan 8.290 nan 0.000 0.486 379 I N 1.282 121.723 120.570 -0.215 0.000 2.465 379 I HA 0.455 4.626 4.170 0.001 0.000 0.291 379 I C 0.677 176.858 176.117 0.106 0.000 1.014 379 I CA -0.755 60.491 61.300 -0.089 0.000 1.093 379 I CB 2.014 39.958 38.000 -0.093 0.000 1.267 379 I HN 0.503 nan 8.210 nan 0.000 0.431 380 S N 3.067 118.878 115.700 0.186 0.000 2.549 380 S HA -0.025 4.446 4.470 0.001 0.000 0.286 380 S C 0.774 175.427 174.600 0.088 0.000 1.314 380 S CA -0.275 58.034 58.200 0.182 0.000 1.062 380 S CB 0.404 63.684 63.200 0.133 0.000 0.865 380 S HN 0.710 nan 8.310 nan 0.000 0.498 381 D N 3.946 124.394 120.400 0.080 0.000 2.340 381 D HA 0.058 4.698 4.640 0.001 0.000 0.220 381 D C 1.240 177.559 176.300 0.032 0.000 1.039 381 D CA 0.378 54.407 54.000 0.048 0.000 0.866 381 D CB -0.098 40.732 40.800 0.049 0.000 0.913 381 D HN 0.516 nan 8.370 nan 0.000 0.523 382 L N -0.008 121.234 121.223 0.032 0.000 2.433 382 L HA 0.142 4.482 4.340 0.001 0.000 0.200 382 L C 0.999 177.878 176.870 0.014 0.000 1.059 382 L CA 0.927 55.780 54.840 0.021 0.000 0.835 382 L CB 0.137 42.208 42.059 0.020 0.000 1.076 382 L HN 0.026 nan 8.230 nan 0.000 0.481 383 D N -3.347 117.062 120.400 0.015 0.000 2.469 383 D HA -0.001 4.639 4.640 0.001 0.000 0.215 383 D C 0.343 176.637 176.300 -0.010 0.000 1.154 383 D CA -0.085 53.916 54.000 0.001 0.000 0.832 383 D CB 0.233 41.031 40.800 -0.003 0.000 1.008 383 D HN -0.035 nan 8.370 nan 0.000 0.506 384 D N -0.135 120.262 120.400 -0.004 0.000 3.059 384 D HA -0.185 4.456 4.640 0.001 0.000 0.220 384 D C -0.580 175.691 176.300 -0.048 0.000 1.169 384 D CA 0.640 54.627 54.000 -0.022 0.000 0.902 384 D CB -0.671 40.111 40.800 -0.031 0.000 1.116 384 D HN 0.421 nan 8.370 nan 0.000 0.417 385 R N -0.001 120.475 120.500 -0.039 0.000 2.604 385 R HA 0.555 4.895 4.340 0.001 0.000 0.287 385 R C 0.515 176.777 176.300 -0.063 0.000 0.970 385 R CA -0.818 55.236 56.100 -0.075 0.000 0.946 385 R CB 1.217 31.474 30.300 -0.072 0.000 1.127 385 R HN -0.013 nan 8.270 nan 0.000 0.473 386 R N 1.440 121.843 120.500 -0.162 0.000 2.758 386 R HA -0.020 4.320 4.340 0.001 0.000 0.263 386 R C -0.652 175.661 176.300 0.021 0.000 1.010 386 R CA 0.701 56.669 56.100 -0.220 0.000 1.114 386 R CB 0.193 30.155 30.300 -0.563 0.000 0.985 386 R HN 0.536 nan 8.270 nan 0.000 0.439 387 Y N -2.706 117.642 120.300 0.079 0.000 2.553 387 Y HA 0.447 4.997 4.550 0.000 0.000 0.347 387 Y C -0.524 175.526 175.900 0.250 0.000 1.019 387 Y CA -1.463 56.726 58.100 0.149 0.000 1.032 387 Y CB 0.845 39.359 38.460 0.091 0.000 1.284 387 Y HN 0.626 nan 8.280 nan 0.000 0.466 388 T N -0.149 114.651 114.554 0.409 0.000 2.899 388 T HA 0.387 4.737 4.350 0.001 0.000 0.284 388 T C 1.108 176.018 174.700 0.351 0.000 1.004 388 T CA -0.605 61.684 62.100 0.314 0.000 1.043 388 T CB 1.144 70.157 68.868 0.242 0.000 1.013 388 T HN 0.793 nan 8.240 nan 0.000 0.518 389 I N 0.337 121.055 120.570 0.247 0.000 2.118 389 I HA -0.085 4.085 4.170 0.001 0.000 0.241 389 I C 0.984 177.189 176.117 0.147 0.000 1.070 389 I CA 1.344 62.753 61.300 0.182 0.000 1.327 389 I CB -0.332 37.741 38.000 0.120 0.000 1.034 389 I HN 0.456 nan 8.210 nan 0.000 0.405 390 L N 1.645 122.971 121.223 0.172 0.000 2.312 390 L HA 0.286 4.626 4.340 0.001 0.000 0.281 390 L C -0.816 176.139 176.870 0.141 0.000 1.070 390 L CA -0.424 54.457 54.840 0.068 0.000 0.805 390 L CB 0.925 42.955 42.059 -0.048 0.000 1.174 390 L HN 0.294 nan 8.230 nan 0.000 0.434 391 D N 0.846 121.229 120.400 -0.028 0.000 2.692 391 D HA 0.396 5.036 4.640 0.001 0.000 0.303 391 D C -1.404 174.809 176.300 -0.146 0.000 1.278 391 D CA -0.573 53.456 54.000 0.048 0.000 0.852 391 D CB 0.898 41.804 40.800 0.177 0.000 1.375 391 D HN 0.191 nan 8.370 nan 0.000 0.453 392 Y N -1.653 118.713 120.300 0.110 0.000 2.570 392 Y HA 0.581 5.131 4.550 0.001 0.000 0.345 392 Y C 1.488 177.435 175.900 0.079 0.000 1.014 392 Y CA -0.582 57.565 58.100 0.078 0.000 1.063 392 Y CB 2.651 41.163 38.460 0.086 0.000 1.272 392 Y HN 0.577 nan 8.280 nan 0.000 0.477 393 G N -0.190 108.759 108.800 0.249 0.000 2.551 393 G HA2 0.080 4.040 3.960 0.001 0.000 0.216 393 G HA3 0.080 4.040 3.960 0.001 0.000 0.216 393 G C 0.149 175.136 174.900 0.144 0.000 1.137 393 G CA 0.681 45.875 45.100 0.158 0.000 0.798 393 G HN 0.370 nan 8.290 nan 0.000 0.536 394 S N -1.624 114.177 115.700 0.168 0.000 2.541 394 S HA 0.696 5.166 4.470 0.001 0.000 0.271 394 S C -0.340 174.287 174.600 0.045 0.000 1.133 394 S CA 0.480 58.736 58.200 0.092 0.000 0.876 394 S CB 1.451 64.688 63.200 0.063 0.000 1.105 394 S HN 1.420 nan 8.310 nan 0.000 0.470 395 G N 3.156 111.975 108.800 0.031 0.000 2.359 395 G HA2 0.191 4.151 3.960 0.001 0.000 0.303 395 G HA3 0.191 4.151 3.960 0.001 0.000 0.303 395 G C -3.082 171.837 174.900 0.031 0.000 1.293 395 G CA -0.266 44.830 45.100 -0.007 0.000 0.964 395 G HN 0.458 nan 8.290 nan 0.000 0.531 396 P HA 0.128 nan 4.420 nan 0.000 0.245 396 P C 1.641 178.941 177.300 0.001 0.000 1.212 396 P CA 1.295 64.402 63.100 0.011 0.000 0.774 396 P CB 0.099 31.798 31.700 -0.003 0.000 0.999 397 G N -1.093 107.713 108.800 0.011 0.000 2.598 397 G HA2 -0.196 3.764 3.960 0.001 0.000 0.215 397 G HA3 -0.196 3.764 3.960 0.001 0.000 0.215 397 G C 0.185 175.158 174.900 0.122 0.000 1.131 397 G CA -0.092 45.013 45.100 0.009 0.000 0.785 397 G HN 0.257 nan 8.290 nan 0.000 0.539 398 Y N 1.263 121.597 120.300 0.057 0.000 2.526 398 Y HA 0.354 4.904 4.550 0.000 0.000 0.330 398 Y C -0.096 175.895 175.900 0.151 0.000 1.156 398 Y CA -0.344 57.820 58.100 0.107 0.000 1.419 398 Y CB 0.144 38.652 38.460 0.081 0.000 1.250 398 Y HN 0.243 nan 8.280 nan 0.000 0.540 399 H N 7.101 125.973 119.070 -0.331 0.000 3.224 399 H HA 0.368 4.924 4.556 0.001 0.000 0.331 399 H C -1.586 173.637 175.328 -0.174 0.000 1.002 399 H CA -0.837 55.125 56.048 -0.144 0.000 1.473 399 H CB 0.705 30.395 29.762 -0.121 0.000 1.830 399 H HN 0.710 nan 8.280 nan 0.000 0.485 400 I N 5.457 126.068 120.570 0.069 0.000 2.315 400 I HA 0.078 4.248 4.170 0.001 0.000 0.291 400 I C 1.142 177.271 176.117 0.020 0.000 1.006 400 I CA -0.444 60.853 61.300 -0.005 0.000 1.265 400 I CB 1.553 39.610 38.000 0.096 0.000 1.387 400 I HN 0.615 nan 8.210 nan 0.000 0.475 401 T N 1.273 115.770 114.554 -0.095 0.000 2.701 401 T HA 0.084 4.435 4.350 0.001 0.000 0.303 401 T C 1.051 175.780 174.700 0.048 0.000 1.030 401 T CA -0.326 61.749 62.100 -0.042 0.000 1.010 401 T CB 0.743 69.590 68.868 -0.034 0.000 1.007 401 T HN 0.624 nan 8.240 nan 0.000 0.532 402 E N 0.688 120.931 120.200 0.071 0.000 2.118 402 E HA -0.161 4.189 4.350 0.001 0.000 0.195 402 E C 1.318 177.944 176.600 0.042 0.000 0.992 402 E CA 1.534 57.973 56.400 0.065 0.000 0.804 402 E CB -0.198 29.540 29.700 0.064 0.000 0.741 402 E HN 0.789 nan 8.360 nan 0.000 0.458 403 D N -0.727 119.690 120.400 0.027 0.000 2.349 403 D HA 0.074 4.714 4.640 0.001 0.000 0.224 403 D C 0.994 177.304 176.300 0.017 0.000 1.029 403 D CA 0.665 54.676 54.000 0.018 0.000 0.879 403 D CB 0.091 40.895 40.800 0.007 0.000 0.906 403 D HN 0.221 nan 8.370 nan 0.000 0.528 404 G N 0.251 109.064 108.800 0.022 0.000 2.171 404 G HA2 -0.246 3.714 3.960 0.001 0.000 0.238 404 G HA3 -0.246 3.714 3.960 0.001 0.000 0.238 404 G C -0.005 174.901 174.900 0.009 0.000 1.039 404 G CA -0.143 44.972 45.100 0.025 0.000 0.759 404 G HN 0.253 nan 8.290 nan 0.000 0.501 405 K N -0.634 119.760 120.400 -0.010 0.000 2.306 405 K HA 0.548 4.869 4.320 0.001 0.000 0.236 405 K C 0.427 176.994 176.600 -0.055 0.000 1.013 405 K CA -1.225 55.045 56.287 -0.028 0.000 0.857 405 K CB 1.311 33.788 32.500 -0.039 0.000 1.214 405 K HN 0.278 nan 8.250 nan 0.000 0.449 406 R N 1.291 121.753 120.500 -0.062 0.000 2.401 406 R HA 0.022 4.362 4.340 0.001 0.000 0.299 406 R C -0.606 175.644 176.300 -0.083 0.000 1.064 406 R CA -0.185 55.864 56.100 -0.085 0.000 1.000 406 R CB 0.015 30.279 30.300 -0.059 0.000 0.973 406 R HN 0.526 nan 8.270 nan 0.000 0.438 407 Y N 3.124 123.280 120.300 -0.240 0.000 2.810 407 Y HA -0.127 4.424 4.550 0.001 0.000 0.332 407 Y C -0.133 175.723 175.900 -0.074 0.000 1.243 407 Y CA 0.733 58.690 58.100 -0.238 0.000 1.537 407 Y CB 0.454 38.692 38.460 -0.369 0.000 1.265 407 Y HN 0.602 nan 8.280 nan 0.000 0.572 408 E N 8.785 128.529 120.200 -0.761 0.000 2.109 408 E HA 0.331 4.682 4.350 0.001 0.000 0.278 408 E C -2.559 173.631 176.600 -0.684 0.000 0.954 408 E CA -2.616 53.485 56.400 -0.499 0.000 0.779 408 E CB 0.756 30.241 29.700 -0.358 0.000 1.093 408 E HN 0.390 nan 8.360 nan 0.000 0.401 409 P HA 0.028 nan 4.420 nan 0.000 0.271 409 P C -0.580 176.731 177.300 0.019 0.000 1.218 409 P CA -0.199 62.900 63.100 -0.002 0.000 0.780 409 P CB 0.931 32.749 31.700 0.195 0.000 0.901 410 T N -2.185 112.337 114.554 -0.053 0.000 2.949 410 T HA 0.288 4.638 4.350 0.001 0.000 0.287 410 T C 1.119 175.870 174.700 0.085 0.000 1.034 410 T CA -0.468 61.665 62.100 0.055 0.000 1.018 410 T CB 1.373 70.217 68.868 -0.040 0.000 1.135 410 T HN 0.202 nan 8.240 nan 0.000 0.532 411 E N 0.287 120.584 120.200 0.161 0.000 2.118 411 E HA -0.187 4.163 4.350 0.001 0.000 0.195 411 E C 1.899 178.475 176.600 -0.040 0.000 0.992 411 E CA 1.777 58.226 56.400 0.082 0.000 0.804 411 E CB -0.242 29.525 29.700 0.112 0.000 0.741 411 E HN 0.835 nan 8.360 nan 0.000 0.458 412 E N -0.410 119.763 120.200 -0.045 0.000 2.072 412 E HA -0.182 4.168 4.350 0.001 0.000 0.191 412 E C 1.394 177.917 176.600 -0.127 0.000 0.985 412 E CA 1.166 57.533 56.400 -0.055 0.000 0.801 412 E CB -0.001 29.682 29.700 -0.028 0.000 0.750 412 E HN 0.286 nan 8.360 nan 0.000 0.452 413 D N 0.716 120.947 120.400 -0.282 0.000 2.104 413 D HA -0.187 4.453 4.640 0.001 0.000 0.194 413 D C 2.125 178.144 176.300 -0.469 0.000 0.994 413 D CA 0.908 54.503 54.000 -0.675 0.000 0.830 413 D CB -0.268 39.684 40.800 -1.412 0.000 0.959 413 D HN 0.261 nan 8.370 nan 0.000 0.452 414 L N 0.372 121.385 121.223 -0.349 0.000 2.079 414 L HA -0.177 4.163 4.340 0.001 0.000 0.210 414 L C 2.265 179.181 176.870 0.078 0.000 1.081 414 L CA 1.221 55.998 54.840 -0.105 0.000 0.752 414 L CB -0.369 41.533 42.059 -0.261 0.000 0.896 414 L HN 0.008 nan 8.230 nan 0.000 0.433 415 K N -0.649 119.761 120.400 0.016 0.000 2.296 415 K HA -0.062 4.258 4.320 0.001 0.000 0.200 415 K C 0.572 177.227 176.600 0.092 0.000 1.048 415 K CA 0.048 56.369 56.287 0.056 0.000 0.966 415 K CB -0.016 32.499 32.500 0.025 0.000 0.754 415 K HN 0.098 nan 8.250 nan 0.000 0.466 416 D N 1.688 122.151 120.400 0.104 0.000 2.358 416 D HA -0.045 4.595 4.640 0.001 0.000 0.258 416 D C 1.097 177.519 176.300 0.202 0.000 1.223 416 D CA -0.131 53.956 54.000 0.144 0.000 0.886 416 D CB 0.611 41.503 40.800 0.153 0.000 1.120 416 D HN 0.188 nan 8.370 nan 0.000 0.482 417 I N 1.171 121.828 120.570 0.145 0.000 2.850 417 I HA -0.123 4.047 4.170 0.001 0.000 0.266 417 I C 0.660 176.858 176.117 0.135 0.000 1.257 417 I CA 0.779 62.156 61.300 0.129 0.000 1.465 417 I CB -0.107 37.944 38.000 0.086 0.000 1.091 417 I HN 0.150 nan 8.210 nan 0.000 0.467 418 N N 0.666 119.461 118.700 0.158 0.000 2.203 418 N HA 0.122 4.862 4.740 0.001 0.000 0.207 418 N C -0.084 175.541 175.510 0.193 0.000 1.130 418 N CA -0.168 52.967 53.050 0.141 0.000 0.861 418 N CB 0.430 38.982 38.487 0.108 0.000 1.005 418 N HN 0.280 nan 8.380 nan 0.000 0.507 419 F N 2.868 122.897 119.950 0.133 0.000 2.456 419 F HA 0.180 4.708 4.527 0.000 0.000 0.358 419 F C 0.464 176.413 175.800 0.249 0.000 1.095 419 F CA -0.658 57.440 58.000 0.165 0.000 1.216 419 F CB 0.498 39.601 39.000 0.172 0.000 1.125 419 F HN -0.227 nan 8.300 nan 0.000 0.549 420 R N 6.215 126.305 120.500 -0.683 0.000 2.198 420 R HA 0.188 4.529 4.340 0.001 0.000 0.339 420 R C -1.167 174.755 176.300 -0.631 0.000 1.020 420 R CA -0.708 55.125 56.100 -0.445 0.000 0.864 420 R CB 0.433 30.562 30.300 -0.285 0.000 1.105 420 R HN 0.515 nan 8.270 nan 0.000 0.463 421 Y N 1.305 121.415 120.300 -0.317 0.000 2.379 421 Y HA 0.091 4.641 4.550 0.000 0.000 0.337 421 Y C 1.153 177.113 175.900 0.101 0.000 1.238 421 Y CA -0.519 57.568 58.100 -0.022 0.000 1.405 421 Y CB 0.463 39.047 38.460 0.206 0.000 1.310 421 Y HN 0.627 nan 8.280 nan 0.000 0.569 422 A N 2.102 125.091 122.820 0.283 0.000 2.483 422 A HA 0.436 4.756 4.320 0.001 0.000 0.238 422 A C 0.238 178.013 177.584 0.318 0.000 1.070 422 A CA 0.203 52.389 52.037 0.250 0.000 0.770 422 A CB -0.349 18.781 19.000 0.216 0.000 1.008 422 A HN 0.752 nan 8.150 nan 0.000 0.497 423 S N 0.443 116.319 115.700 0.294 0.000 2.677 423 S HA 0.718 5.188 4.470 0.001 0.000 0.304 423 S C 0.581 175.388 174.600 0.344 0.000 1.108 423 S CA -0.133 58.252 58.200 0.308 0.000 0.944 423 S CB 1.781 65.121 63.200 0.235 0.000 1.127 423 S HN 1.617 nan 8.310 nan 0.000 0.511 424 A N 0.262 123.237 122.820 0.258 0.000 2.095 424 A HA 0.696 5.016 4.320 0.001 0.000 0.212 424 A C 1.045 178.697 177.584 0.113 0.000 1.162 424 A CA 0.552 52.726 52.037 0.228 0.000 0.753 424 A CB -0.473 18.613 19.000 0.142 0.000 0.840 424 A HN 1.601 nan 8.150 nan 0.000 0.468 425 A N 1.151 123.997 122.820 0.043 0.000 2.522 425 A HA 0.624 4.945 4.320 0.001 0.000 0.285 425 A C -3.080 174.442 177.584 -0.103 0.000 1.198 425 A CA -1.593 50.385 52.037 -0.098 0.000 0.742 425 A CB 0.741 19.716 19.000 -0.041 0.000 1.176 425 A HN 0.112 nan 8.150 nan 0.000 0.444 426 P HA 0.258 nan 4.420 nan 0.000 0.267 426 P C -0.718 176.550 177.300 -0.054 0.000 1.205 426 P CA 0.264 63.295 63.100 -0.115 0.000 0.765 426 P CB 0.871 32.444 31.700 -0.212 0.000 0.828 427 K N 1.477 121.882 120.400 0.008 0.000 2.562 427 K HA 0.112 4.433 4.320 0.001 0.000 0.267 427 K C 0.876 177.534 176.600 0.096 0.000 0.938 427 K CA -0.629 55.681 56.287 0.037 0.000 0.840 427 K CB 1.319 33.837 32.500 0.030 0.000 1.390 427 K HN 0.436 nan 8.250 nan 0.000 0.428 428 H N 0.584 119.645 119.070 -0.014 0.000 2.353 428 H HA 0.004 4.560 4.556 0.000 0.000 0.300 428 H C 0.014 175.340 175.328 -0.003 0.000 1.090 428 H CA 1.289 57.329 56.048 -0.014 0.000 1.327 428 H CB 0.422 30.173 29.762 -0.019 0.000 1.383 428 H HN 0.250 nan 8.280 nan 0.000 0.508 429 S N -0.182 115.589 115.700 0.118 0.000 2.478 429 S HA 0.569 5.039 4.470 0.001 0.000 0.312 429 S C -0.598 174.093 174.600 0.152 0.000 1.094 429 S CA -0.450 57.805 58.200 0.092 0.000 1.081 429 S CB 1.135 64.295 63.200 -0.066 0.000 1.007 429 S HN 0.589 nan 8.310 nan 0.000 0.475 430 A N 3.687 126.632 122.820 0.207 0.000 2.555 430 A HA 0.441 4.761 4.320 0.001 0.000 0.233 430 A C 0.956 178.675 177.584 0.225 0.000 1.060 430 A CA 0.335 52.471 52.037 0.165 0.000 0.759 430 A CB -0.407 18.648 19.000 0.093 0.000 0.995 430 A HN 1.052 nan 8.150 nan 0.000 0.506 431 T N 0.662 115.261 114.554 0.075 0.000 2.849 431 T HA 0.415 4.765 4.350 0.001 0.000 0.284 431 T C 0.293 174.922 174.700 -0.119 0.000 1.004 431 T CA -0.146 61.946 62.100 -0.012 0.000 1.021 431 T CB 0.125 68.966 68.868 -0.044 0.000 1.013 431 T HN 0.660 nan 8.240 nan 0.000 0.527 432 H N -0.036 118.862 119.070 -0.287 0.000 2.703 432 H HA 0.244 4.800 4.556 0.001 0.000 0.377 432 H C 0.120 175.300 175.328 -0.246 0.000 1.392 432 H CA -0.515 55.238 56.048 -0.491 0.000 1.458 432 H CB 0.557 30.013 29.762 -0.510 0.000 1.529 432 H HN 0.668 nan 8.280 nan 0.000 0.619 433 D N -0.482 119.904 120.400 -0.024 0.000 2.362 433 D HA 0.106 4.746 4.640 0.001 0.000 0.247 433 D C 0.621 176.962 176.300 0.068 0.000 1.050 433 D CA -0.572 53.443 54.000 0.024 0.000 0.839 433 D CB 1.818 42.636 40.800 0.031 0.000 1.283 433 D HN 0.766 nan 8.370 nan 0.000 0.477 434 G N 2.241 111.079 108.800 0.063 0.000 2.813 434 G HA2 -0.038 3.922 3.960 0.001 0.000 0.209 434 G HA3 -0.038 3.922 3.960 0.001 0.000 0.209 434 G C 0.727 175.679 174.900 0.087 0.000 1.150 434 G CA 0.257 45.406 45.100 0.082 0.000 0.785 434 G HN 0.458 nan 8.290 nan 0.000 0.535 435 T N 2.292 116.889 114.554 0.072 0.000 2.940 435 T HA 0.168 4.518 4.350 0.001 0.000 0.309 435 T C -0.054 174.690 174.700 0.073 0.000 1.056 435 T CA -0.278 61.861 62.100 0.065 0.000 1.137 435 T CB 0.851 69.751 68.868 0.053 0.000 0.976 435 T HN 0.121 nan 8.240 nan 0.000 0.547 436 D N 1.725 122.163 120.400 0.065 0.000 2.515 436 D HA 0.185 4.825 4.640 0.001 0.000 0.232 436 D C 0.547 176.871 176.300 0.040 0.000 1.157 436 D CA 0.023 54.056 54.000 0.056 0.000 0.871 436 D CB 0.332 41.154 40.800 0.036 0.000 1.200 436 D HN 0.361 nan 8.370 nan 0.000 0.466 437 V N -1.184 118.746 119.914 0.025 0.000 3.096 437 V HA 0.882 5.002 4.120 0.001 0.000 0.319 437 V C 0.597 176.629 176.094 -0.103 0.000 1.103 437 V CA -0.884 61.417 62.300 0.002 0.000 1.016 437 V CB 1.602 33.435 31.823 0.017 0.000 1.090 437 V HN 0.466 nan 8.190 nan 0.000 0.449 438 G N 0.653 109.332 108.800 -0.202 0.000 2.476 438 G HA2 0.671 4.631 3.960 0.001 0.000 0.286 438 G HA3 0.671 4.631 3.960 0.001 0.000 0.286 438 G C -0.882 173.514 174.900 -0.841 0.000 1.177 438 G CA -0.689 43.973 45.100 -0.730 0.000 0.870 438 G HN 0.829 nan 8.290 nan 0.000 0.528 439 I N 0.267 120.242 120.570 -0.991 0.000 2.533 439 I HA 0.406 4.577 4.170 0.001 0.000 0.290 439 I C -0.964 174.793 176.117 -0.599 0.000 1.056 439 I CA -0.666 60.295 61.300 -0.566 0.000 1.057 439 I CB 2.268 40.096 38.000 -0.287 0.000 1.240 439 I HN 0.423 nan 8.210 nan 0.000 0.423 440 W N 5.677 126.915 121.300 -0.103 0.000 2.839 440 W HA 0.712 5.372 4.660 0.001 0.000 0.334 440 W C -1.317 175.293 176.519 0.152 0.000 1.064 440 W CA -0.902 56.496 57.345 0.090 0.000 1.236 440 W CB 2.092 31.636 29.460 0.140 0.000 1.405 440 W HN 0.062 nan 8.180 nan 0.000 0.478 441 V N 2.097 122.275 119.914 0.439 0.000 2.841 441 V HA 0.432 4.552 4.120 0.001 0.000 0.310 441 V C -0.840 175.242 176.094 -0.021 0.000 1.090 441 V CA -0.811 61.580 62.300 0.152 0.000 0.930 441 V CB 2.108 33.905 31.823 -0.045 0.000 1.014 441 V HN 0.582 nan 8.190 nan 0.000 0.425 442 N N 1.217 119.666 118.700 -0.417 0.000 2.242 442 N HA 0.811 5.551 4.740 0.001 0.000 0.292 442 N C -0.199 175.165 175.510 -0.243 0.000 1.125 442 N CA 0.853 53.561 53.050 -0.570 0.000 0.783 442 N CB 2.319 39.923 38.487 -1.472 0.000 1.558 442 N HN 1.312 nan 8.380 nan 0.000 0.472 443 G N 1.519 110.246 108.800 -0.121 0.000 2.428 443 G HA2 -0.131 3.830 3.960 0.001 0.000 0.202 443 G HA3 -0.131 3.830 3.960 0.001 0.000 0.202 443 G C -2.861 172.038 174.900 -0.002 0.000 1.247 443 G CA -1.016 44.051 45.100 -0.055 0.000 1.020 443 G HN 0.548 nan 8.290 nan 0.000 0.529 444 P HA 0.441 nan 4.420 nan 0.000 0.262 444 P C 0.287 177.687 177.300 0.167 0.000 1.199 444 P CA 0.752 63.856 63.100 0.007 0.000 0.763 444 P CB -0.309 31.424 31.700 0.056 0.000 0.790 445 F N 1.018 121.010 119.950 0.069 0.000 2.988 445 F HA -0.297 4.231 4.527 0.001 0.000 0.287 445 F C 1.701 177.610 175.800 0.183 0.000 0.781 445 F CA 0.783 58.907 58.000 0.208 0.000 1.221 445 F CB -2.220 36.836 39.000 0.093 0.000 1.392 445 F HN 0.389 nan 8.300 nan 0.000 0.425 446 A N 0.140 123.109 122.820 0.249 0.000 2.024 446 A HA -0.220 4.100 4.320 0.001 0.000 0.220 446 A C 1.985 179.487 177.584 -0.137 0.000 1.164 446 A CA 1.875 54.026 52.037 0.191 0.000 0.643 446 A CB -0.831 18.304 19.000 0.224 0.000 0.806 446 A HN 0.730 nan 8.150 nan 0.000 0.451 447 H N -0.323 118.367 119.070 -0.634 0.000 2.562 447 H HA 0.166 4.722 4.556 0.001 0.000 0.272 447 H C 1.111 176.253 175.328 -0.311 0.000 1.019 447 H CA 0.512 56.007 56.048 -0.921 0.000 1.160 447 H CB -0.790 28.606 29.762 -0.610 0.000 1.334 447 H HN 0.464 nan 8.280 nan 0.000 0.611 448 L N -0.408 120.514 121.223 -0.501 0.000 2.599 448 L HA 0.106 4.446 4.340 0.001 0.000 0.230 448 L C -0.097 176.378 176.870 -0.658 0.000 1.141 448 L CA 0.195 54.688 54.840 -0.578 0.000 0.877 448 L CB -0.133 41.545 42.059 -0.635 0.000 1.009 448 L HN 0.050 nan 8.230 nan 0.000 0.447 449 F N -0.628 119.251 119.950 -0.117 0.000 2.453 449 F HA 0.197 4.724 4.527 0.001 0.000 0.358 449 F C 1.110 176.996 175.800 0.144 0.000 1.129 449 F CA -0.464 57.531 58.000 -0.008 0.000 1.200 449 F CB 0.788 39.790 39.000 0.003 0.000 1.431 449 F HN -0.138 nan 8.300 nan 0.000 0.503 450 T N -2.714 112.038 114.554 0.330 0.000 3.019 450 T HA 0.385 4.735 4.350 0.001 0.000 0.247 450 T C 1.228 176.043 174.700 0.192 0.000 0.992 450 T CA 0.537 62.803 62.100 0.275 0.000 1.036 450 T CB 0.108 69.089 68.868 0.190 0.000 1.063 450 T HN 0.422 nan 8.240 nan 0.000 0.476 451 G N 1.236 110.100 108.800 0.107 0.000 3.392 451 G HA2 0.587 4.547 3.960 0.001 0.000 0.188 451 G HA3 0.587 4.547 3.960 0.001 0.000 0.188 451 G C -1.080 173.635 174.900 -0.309 0.000 1.485 451 G CA -0.300 44.699 45.100 -0.167 0.000 0.943 451 G HN 0.337 nan 8.290 nan 0.000 0.627 452 V N 0.392 119.936 119.914 -0.616 0.000 2.531 452 V HA 0.605 4.725 4.120 0.001 0.000 0.301 452 V C -1.489 174.172 176.094 -0.722 0.000 1.034 452 V CA -0.524 61.524 62.300 -0.421 0.000 0.865 452 V CB 1.064 32.752 31.823 -0.225 0.000 0.995 452 V HN 0.503 nan 8.190 nan 0.000 0.424 453 Y N 1.047 121.286 120.300 -0.101 0.000 2.576 453 Y HA 0.515 5.065 4.550 0.001 0.000 0.346 453 Y C 0.418 176.304 175.900 -0.023 0.000 1.018 453 Y CA -1.192 56.815 58.100 -0.155 0.000 1.050 453 Y CB 1.280 39.585 38.460 -0.258 0.000 1.280 453 Y HN 0.457 nan 8.280 nan 0.000 0.474 454 E N 1.397 121.674 120.200 0.128 0.000 2.384 454 E HA -0.061 4.289 4.350 0.001 0.000 0.266 454 E C 0.753 177.466 176.600 0.188 0.000 1.012 454 E CA 0.104 56.571 56.400 0.112 0.000 0.901 454 E CB 1.065 30.814 29.700 0.081 0.000 0.967 454 E HN 0.872 nan 8.360 nan 0.000 0.435 455 E N 3.194 123.469 120.200 0.125 0.000 2.171 455 E HA -0.249 4.102 4.350 0.001 0.000 0.197 455 E C 1.278 178.039 176.600 0.268 0.000 0.997 455 E CA 1.423 57.942 56.400 0.199 0.000 0.810 455 E CB 0.113 29.905 29.700 0.153 0.000 0.738 455 E HN 0.481 nan 8.360 nan 0.000 0.467 456 N N 0.040 118.865 118.700 0.207 0.000 2.515 456 N HA -0.199 4.541 4.740 0.001 0.000 0.185 456 N C 1.619 177.342 175.510 0.355 0.000 1.109 456 N CA 0.581 53.777 53.050 0.243 0.000 0.903 456 N CB -0.466 38.120 38.487 0.165 0.000 0.969 456 N HN 0.367 nan 8.380 nan 0.000 0.450 457 Y N 1.691 122.108 120.300 0.195 0.000 2.224 457 Y HA -0.039 4.511 4.550 0.001 0.000 0.289 457 Y C 2.116 178.154 175.900 0.230 0.000 1.146 457 Y CA 1.011 59.209 58.100 0.163 0.000 1.182 457 Y CB -0.228 38.286 38.460 0.090 0.000 0.983 457 Y HN -0.078 nan 8.280 nan 0.000 0.524 458 I N 1.394 122.154 120.570 0.316 0.000 2.087 458 I HA -0.329 3.841 4.170 0.001 0.000 0.240 458 I C -0.423 175.816 176.117 0.204 0.000 1.054 458 I CA 2.084 63.573 61.300 0.315 0.000 1.311 458 I CB -1.673 36.575 38.000 0.413 0.000 1.024 458 I HN 0.226 nan 8.210 nan 0.000 0.402 459 P HA -0.153 nan 4.420 nan 0.000 0.223 459 P C 1.382 178.676 177.300 -0.010 0.000 1.151 459 P CA 1.679 64.868 63.100 0.149 0.000 0.787 459 P CB -0.328 31.438 31.700 0.110 0.000 0.788 460 H N 0.286 119.313 119.070 -0.070 0.000 2.321 460 H HA -0.002 4.555 4.556 0.001 0.000 0.300 460 H C 2.078 177.263 175.328 -0.238 0.000 1.087 460 H CA 1.728 57.686 56.048 -0.150 0.000 1.319 460 H CB -0.549 29.105 29.762 -0.181 0.000 1.379 460 H HN 0.108 nan 8.280 nan 0.000 0.501 461 A N 1.324 123.930 122.820 -0.358 0.000 1.877 461 A HA -0.110 4.210 4.320 0.001 0.000 0.216 461 A C 2.706 180.232 177.584 -0.096 0.000 1.186 461 A CA 0.982 52.741 52.037 -0.463 0.000 0.620 461 A CB -0.907 17.460 19.000 -1.055 0.000 0.822 461 A HN 0.247 nan 8.150 nan 0.000 0.443 462 L N -0.744 120.526 121.223 0.077 0.000 2.042 462 L HA -0.235 4.105 4.340 0.001 0.000 0.210 462 L C 3.074 180.034 176.870 0.149 0.000 1.076 462 L CA 1.160 56.117 54.840 0.195 0.000 0.749 462 L CB -0.576 41.654 42.059 0.286 0.000 0.893 462 L HN 0.455 nan 8.230 nan 0.000 0.432 463 A N -0.853 122.018 122.820 0.085 0.000 1.969 463 A HA -0.271 4.050 4.320 0.001 0.000 0.218 463 A C 2.176 179.743 177.584 -0.030 0.000 1.169 463 A CA 1.374 53.423 52.037 0.022 0.000 0.635 463 A CB -0.796 18.159 19.000 -0.075 0.000 0.810 463 A HN 0.497 nan 8.150 nan 0.000 0.445 464 Y N 0.608 120.818 120.300 -0.149 0.000 2.145 464 Y HA -0.089 4.461 4.550 0.001 0.000 0.286 464 Y C 2.548 178.311 175.900 -0.228 0.000 1.145 464 Y CA 1.444 59.424 58.100 -0.200 0.000 1.148 464 Y CB -0.425 37.871 38.460 -0.273 0.000 0.981 464 Y HN 0.286 nan 8.280 nan 0.000 0.507 465 A N 0.094 122.879 122.820 -0.059 0.000 1.968 465 A HA 0.081 4.401 4.320 0.001 0.000 0.217 465 A C 2.216 179.792 177.584 -0.013 0.000 1.169 465 A CA 1.345 53.313 52.037 -0.116 0.000 0.638 465 A CB -1.188 17.863 19.000 0.085 0.000 0.812 465 A HN 0.571 nan 8.150 nan 0.000 0.446 466 A N -2.164 120.663 122.820 0.011 0.000 2.218 466 A HA 0.324 4.645 4.320 0.001 0.000 0.209 466 A C 1.031 178.539 177.584 -0.126 0.000 1.168 466 A CA 0.665 52.695 52.037 -0.011 0.000 0.804 466 A CB -1.059 17.971 19.000 0.050 0.000 0.834 466 A HN 1.033 nan 8.150 nan 0.000 0.482 467 c N -0.645 117.868 118.600 -0.144 0.000 4.234 467 c HA 0.001 4.572 4.570 0.001 0.000 0.308 467 c C 0.435 174.406 174.090 -0.199 0.000 1.286 467 c CA 0.064 56.289 56.329 -0.174 0.000 2.102 467 c CB -3.451 38.987 42.510 -0.120 0.000 1.311 467 c HN 1.262 nan 8.230 nan 0.000 0.689 468 V N -1.725 118.065 119.914 -0.207 0.000 3.130 468 V HA 1.065 5.185 4.120 0.001 0.000 0.310 468 V C 0.524 176.474 176.094 -0.240 0.000 1.158 468 V CA 0.684 62.868 62.300 -0.193 0.000 1.029 468 V CB 1.585 33.268 31.823 -0.233 0.000 1.057 468 V HN 2.513 nan 8.190 nan 0.000 0.436 469 G N 2.002 110.627 108.800 -0.292 0.000 2.725 469 G HA2 0.089 4.049 3.960 0.001 0.000 0.220 469 G HA3 0.089 4.049 3.960 0.001 0.000 0.220 469 G C 0.166 174.668 174.900 -0.664 0.000 1.357 469 G CA 0.290 44.835 45.100 -0.925 0.000 0.866 469 G HN 2.521 nan 8.290 nan 0.000 0.548 470 T N -1.904 112.171 114.554 -0.799 0.000 3.327 470 T HA 0.699 5.049 4.350 0.001 0.000 0.244 470 T C 0.755 175.308 174.700 -0.245 0.000 1.074 470 T CA 0.914 62.781 62.100 -0.388 0.000 1.156 470 T CB 0.463 69.159 68.868 -0.286 0.000 1.087 470 T HN 2.080 nan 8.240 nan 0.000 0.575 471 G N 0.496 109.168 108.800 -0.212 0.000 3.022 471 G HA2 0.609 4.569 3.960 0.001 0.000 0.284 471 G HA3 0.609 4.569 3.960 0.001 0.000 0.284 471 G C -0.972 173.898 174.900 -0.051 0.000 1.375 471 G CA -1.433 43.616 45.100 -0.085 0.000 0.902 471 G HN 0.518 nan 8.290 nan 0.000 0.538 472 R N -0.615 119.899 120.500 0.024 0.000 2.583 472 R HA 0.357 4.697 4.340 0.001 0.000 0.274 472 R C -0.605 175.757 176.300 0.103 0.000 0.998 472 R CA 0.815 56.970 56.100 0.092 0.000 1.081 472 R CB 0.007 30.406 30.300 0.165 0.000 0.940 472 R HN 0.372 nan 8.270 nan 0.000 0.413 473 T N 4.329 118.832 114.554 -0.086 0.000 2.909 473 T HA 0.163 4.513 4.350 0.001 0.000 0.299 473 T C 0.155 174.415 174.700 -0.733 0.000 1.073 473 T CA -0.639 61.202 62.100 -0.432 0.000 0.999 473 T CB 1.007 69.716 68.868 -0.264 0.000 1.098 473 T HN 0.550 nan 8.240 nan 0.000 0.477 474 F N 1.734 120.860 119.950 -1.373 0.000 2.126 474 F HA -0.096 4.431 4.527 0.001 0.000 0.299 474 F C 2.238 177.838 175.800 -0.334 0.000 1.096 474 F CA 1.429 58.911 58.000 -0.862 0.000 1.255 474 F CB -0.440 38.175 39.000 -0.642 0.000 0.997 474 F HN 0.618 nan 8.300 nan 0.000 0.479 475 c N 0.308 118.683 118.600 -0.376 0.000 2.472 475 c HA -0.048 4.522 4.570 0.001 0.000 0.278 475 c C 1.370 175.292 174.090 -0.281 0.000 1.447 475 c CA -0.366 55.756 56.329 -0.345 0.000 1.773 475 c CB -1.514 40.890 42.510 -0.178 0.000 1.793 475 c HN 0.377 nan 8.230 nan 0.000 0.544 476 D N 0.000 120.246 120.400 -0.256 0.000 6.856 476 D HA 0.000 4.640 4.640 0.001 0.000 0.175 476 D CA 0.000 53.898 54.000 -0.170 0.000 0.868 476 D CB 0.000 40.719 40.800 -0.136 0.000 0.688 476 D HN 0.000 nan 8.370 nan 0.000 0.683