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 2ad7_1_A DATA FIRST_RESID 1 DATA SEQUENCE DADLDKQVNT AGAWPIATGG YYSQHNSPLA QINKSNVKNV KAAWSFSTGV DATA SEQUENCE LNGHEGAPLV IGDMMYVHSA FPNNTYALNL NDPGKIVWQH KPKQDASTKA DATA SEQUENCE VMCCDVVDRG LAYGAGQIVK KQANGHLLAL DAKTGKINWE VEVcDPKVGS DATA SEQUENCE TLTQAPFVAK DTVLMGcSGA ELGVRGAVNA FDLKTGELKW RAFATGSDDS DATA SEQUENCE VRLAKDFNSA NPHYGQFGLG TKTWEGDAWK IGGGTNWGWY AYDPKLNLFY DATA SEQUENCE YGSGNPAPWN ETMRPGDNKW TMTIWGRDLD TGMAKWGYQK TPHDEWDFAG DATA SEQUENCE VNQMVLTDQP VNGKMTPLLS HIDRNGILYT LNRENGNLIV AEKVDPAVNV DATA SEQUENCE FKKVDLKTGT PVRDPEFATR MDHKGTNIcP SAMGFHNQGV DSYDPESRTL DATA SEQUENCE YAGLNHIcMD WEPFMLPYRA GQFFVGATLA MYPGPNGPTK KEMGQIRAFD DATA SEQUENCE LTTGKAKWTK WEKFAAWGGT LYTKGGLVWY ATLDGYLKAL DNKDGKELWN DATA SEQUENCE FKMPSGGIGS PMTYSFKGKQ YIGSMYGVGG WPGVGLVFDL TDPSAGLGAV DATA SEQUENCE GAFRELQNHT QMGGGLMVFS L 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 D HA 0.000 nan 4.640 nan 0.000 0.175 1 D C 0.000 176.342 176.300 0.070 0.000 2.045 1 D CA 0.000 54.017 54.000 0.028 0.000 0.868 1 D CB 0.000 40.795 40.800 -0.008 0.000 0.688 2 A N 0.059 122.912 122.820 0.055 0.000 1.940 2 A HA -0.161 4.133 4.320 -0.044 0.000 0.219 2 A C 1.704 179.338 177.584 0.084 0.000 1.176 2 A CA 2.719 54.797 52.037 0.069 0.000 0.631 2 A CB -1.006 18.024 19.000 0.050 0.000 0.814 2 A HN 0.644 nan 8.150 nan 0.000 0.446 3 D N -0.738 119.706 120.400 0.074 0.000 2.117 3 D HA -0.138 4.476 4.640 -0.044 0.000 0.198 3 D C 1.762 178.170 176.300 0.180 0.000 0.982 3 D CA 1.241 55.308 54.000 0.111 0.000 0.828 3 D CB -0.176 40.673 40.800 0.081 0.000 0.967 3 D HN 0.248 nan 8.370 nan 0.000 0.464 4 L N 0.627 121.950 121.223 0.168 0.000 2.046 4 L HA -0.121 4.192 4.340 -0.044 0.000 0.208 4 L C 1.450 178.403 176.870 0.139 0.000 1.077 4 L CA 1.895 56.855 54.840 0.200 0.000 0.747 4 L CB -0.791 41.358 42.059 0.149 0.000 0.896 4 L HN -0.018 nan 8.230 nan 0.000 0.432 5 D N -0.177 120.324 120.400 0.169 0.000 2.123 5 D HA -0.253 4.360 4.640 -0.044 0.000 0.196 5 D C 2.100 178.461 176.300 0.101 0.000 0.992 5 D CA 1.485 55.588 54.000 0.171 0.000 0.833 5 D CB -0.074 40.833 40.800 0.177 0.000 0.954 5 D HN 0.450 nan 8.370 nan 0.000 0.455 6 K N 0.386 120.843 120.400 0.095 0.000 2.063 6 K HA -0.180 4.113 4.320 -0.044 0.000 0.208 6 K C 2.018 178.648 176.600 0.049 0.000 1.048 6 K CA 1.110 57.441 56.287 0.073 0.000 0.928 6 K CB 0.187 32.734 32.500 0.079 0.000 0.713 6 K HN -0.052 nan 8.250 nan 0.000 0.442 7 Q N 0.314 120.139 119.800 0.040 0.000 2.119 7 Q HA -0.090 4.223 4.340 -0.044 0.000 0.201 7 Q C 2.236 178.213 176.000 -0.039 0.000 0.972 7 Q CA 1.087 56.878 55.803 -0.020 0.000 0.847 7 Q CB -0.233 28.444 28.738 -0.102 0.000 0.903 7 Q HN 0.203 nan 8.270 nan 0.000 0.433 8 V N 2.250 122.133 119.914 -0.052 0.000 2.392 8 V HA -0.213 3.880 4.120 -0.044 0.000 0.249 8 V C 1.409 177.482 176.094 -0.034 0.000 1.059 8 V CA 1.584 63.825 62.300 -0.099 0.000 1.051 8 V CB -0.406 31.325 31.823 -0.153 0.000 0.658 8 V HN 0.356 nan 8.190 nan 0.000 0.455 9 N N -0.558 118.148 118.700 0.009 0.000 2.383 9 N HA 0.012 4.726 4.740 -0.044 0.000 0.192 9 N C 0.452 175.981 175.510 0.032 0.000 1.141 9 N CA 0.227 53.293 53.050 0.027 0.000 0.851 9 N CB 0.256 38.769 38.487 0.043 0.000 0.976 9 N HN 0.393 nan 8.380 nan 0.000 0.465 10 T N 1.110 115.681 114.554 0.028 0.000 2.728 10 T HA 0.414 4.737 4.350 -0.044 0.000 0.296 10 T C 0.372 175.106 174.700 0.056 0.000 0.940 10 T CA -0.634 61.491 62.100 0.042 0.000 1.013 10 T CB 1.311 70.202 68.868 0.039 0.000 0.912 10 T HN 0.132 nan 8.240 nan 0.000 0.484 11 A N 2.644 125.501 122.820 0.062 0.000 2.548 11 A HA 0.494 4.787 4.320 -0.044 0.000 0.247 11 A C 1.617 179.264 177.584 0.105 0.000 1.067 11 A CA 0.385 52.467 52.037 0.075 0.000 0.757 11 A CB -0.771 18.267 19.000 0.063 0.000 0.996 11 A HN 1.555 nan 8.150 nan 0.000 0.504 12 G N 0.740 109.619 108.800 0.133 0.000 2.176 12 G HA2 0.136 4.069 3.960 -0.044 0.000 0.253 12 G HA3 0.136 4.069 3.960 -0.044 0.000 0.253 12 G C 0.571 175.620 174.900 0.248 0.000 0.979 12 G CA 0.590 45.804 45.100 0.190 0.000 0.641 12 G HN 2.155 nan 8.290 nan 0.000 0.530 13 A N -0.350 122.582 122.820 0.187 0.000 2.271 13 A HA 0.679 4.972 4.320 -0.044 0.000 0.288 13 A C -0.018 177.719 177.584 0.256 0.000 1.094 13 A CA 0.025 52.164 52.037 0.170 0.000 0.828 13 A CB 0.658 19.695 19.000 0.061 0.000 1.091 13 A HN 1.231 nan 8.150 nan 0.000 0.493 14 W N 3.324 124.623 121.300 -0.001 0.000 2.073 14 W HA 0.323 4.957 4.660 -0.042 0.000 0.295 14 W C -2.761 173.742 176.519 -0.028 0.000 1.005 14 W CA -1.491 55.860 57.345 0.010 0.000 1.451 14 W CB 2.072 31.565 29.460 0.056 0.000 1.515 14 W HN 0.636 nan 8.180 nan 0.000 0.341 15 P HA 0.140 nan 4.420 nan 0.000 0.251 15 P C 0.197 177.387 177.300 -0.182 0.000 1.223 15 P CA 0.708 63.702 63.100 -0.177 0.000 0.796 15 P CB 1.376 32.945 31.700 -0.218 0.000 1.068 16 I N -0.552 119.794 120.570 -0.374 0.000 2.466 16 I HA 0.333 4.477 4.170 -0.044 0.000 0.289 16 I C 1.438 177.410 176.117 -0.243 0.000 1.026 16 I CA -1.005 60.126 61.300 -0.281 0.000 1.078 16 I CB 2.143 39.939 38.000 -0.341 0.000 1.249 16 I HN -0.283 nan 8.210 nan 0.000 0.429 17 A N 3.698 126.600 122.820 0.137 0.000 1.958 17 A HA -0.204 4.090 4.320 -0.044 0.000 0.221 17 A C 1.915 179.722 177.584 0.373 0.000 1.178 17 A CA 2.651 54.928 52.037 0.400 0.000 0.642 17 A CB -0.876 18.442 19.000 0.529 0.000 0.816 17 A HN 0.816 nan 8.150 nan 0.000 0.453 18 T N -4.453 110.240 114.554 0.231 0.000 3.144 18 T HA 0.432 4.756 4.350 -0.044 0.000 0.249 18 T C 1.328 176.152 174.700 0.207 0.000 1.089 18 T CA 0.953 63.183 62.100 0.217 0.000 0.989 18 T CB 0.152 69.160 68.868 0.233 0.000 0.992 18 T HN 1.737 nan 8.240 nan 0.000 0.540 19 G N -0.182 108.470 108.800 -0.247 0.000 2.195 19 G HA2 0.210 4.143 3.960 -0.044 0.000 0.246 19 G HA3 0.210 4.143 3.960 -0.044 0.000 0.246 19 G C 0.503 175.154 174.900 -0.416 0.000 0.984 19 G CA -0.362 44.334 45.100 -0.673 0.000 0.633 19 G HN 1.661 nan 8.290 nan 0.000 0.525 20 G N -2.500 106.168 108.800 -0.220 0.000 2.337 20 G HA2 0.483 4.417 3.960 -0.044 0.000 0.298 20 G HA3 0.483 4.417 3.960 -0.044 0.000 0.298 20 G C 0.073 175.003 174.900 0.051 0.000 1.335 20 G CA 0.304 45.292 45.100 -0.187 0.000 0.875 20 G HN 0.429 nan 8.290 nan 0.000 0.579 21 Y N -0.311 120.118 120.300 0.214 0.000 2.224 21 Y HA -0.019 4.504 4.550 -0.045 0.000 0.289 21 Y C 2.528 178.806 175.900 0.629 0.000 1.146 21 Y CA 1.911 60.289 58.100 0.463 0.000 1.182 21 Y CB -0.394 38.329 38.460 0.439 0.000 0.983 21 Y HN 0.567 nan 8.280 nan 0.000 0.524 22 Y N -0.666 119.869 120.300 0.393 0.000 2.583 22 Y HA -0.036 4.486 4.550 -0.046 0.000 0.293 22 Y C 1.065 177.110 175.900 0.240 0.000 1.157 22 Y CA 0.153 58.418 58.100 0.276 0.000 1.315 22 Y CB -0.029 38.540 38.460 0.182 0.000 1.021 22 Y HN -0.097 nan 8.280 nan 0.000 0.536 23 S N 0.771 116.725 115.700 0.423 0.000 3.614 23 S HA -0.274 4.170 4.470 -0.044 0.000 0.360 23 S C 0.760 175.528 174.600 0.282 0.000 1.023 23 S CA 0.582 58.977 58.200 0.325 0.000 1.114 23 S CB -1.424 61.974 63.200 0.331 0.000 0.907 23 S HN 0.633 nan 8.310 nan 0.000 0.470 24 Q N -0.019 119.965 119.800 0.307 0.000 2.451 24 Q HA 0.056 4.369 4.340 -0.044 0.000 0.206 24 Q C 0.693 176.945 176.000 0.420 0.000 0.947 24 Q CA 0.085 56.092 55.803 0.341 0.000 0.937 24 Q CB 0.047 29.017 28.738 0.387 0.000 1.025 24 Q HN 0.825 nan 8.270 nan 0.000 0.511 25 H N 1.684 120.908 119.070 0.257 0.000 2.506 25 H HA -0.174 4.355 4.556 -0.045 0.000 0.323 25 H C -0.807 174.782 175.328 0.435 0.000 1.076 25 H CA 0.940 57.189 56.048 0.335 0.000 1.108 25 H CB -1.228 28.712 29.762 0.297 0.000 1.569 25 H HN 0.590 nan 8.280 nan 0.000 0.399 26 N N -0.612 118.281 118.700 0.321 0.000 3.038 26 N HA 0.560 5.274 4.740 -0.044 0.000 0.307 26 N C -1.220 174.460 175.510 0.282 0.000 1.441 26 N CA -0.626 52.628 53.050 0.339 0.000 0.772 26 N CB 2.694 41.450 38.487 0.447 0.000 1.651 26 N HN 0.130 nan 8.380 nan 0.000 0.593 27 S N -0.585 115.250 115.700 0.225 0.000 2.533 27 S HA 0.401 4.845 4.470 -0.044 0.000 0.271 27 S C -2.542 172.125 174.600 0.112 0.000 1.143 27 S CA -1.126 57.178 58.200 0.174 0.000 0.891 27 S CB 1.898 65.192 63.200 0.156 0.000 1.105 27 S HN 0.555 nan 8.310 nan 0.000 0.468 28 P HA 0.183 nan 4.420 nan 0.000 0.249 28 P C 0.057 177.385 177.300 0.047 0.000 1.229 28 P CA 0.009 63.159 63.100 0.084 0.000 0.788 28 P CB -0.053 31.698 31.700 0.085 0.000 1.072 29 L N 0.672 121.916 121.223 0.034 0.000 2.534 29 L HA 0.157 4.470 4.340 -0.044 0.000 0.271 29 L C 1.321 178.178 176.870 -0.022 0.000 1.178 29 L CA -0.148 54.693 54.840 0.003 0.000 0.907 29 L CB 0.277 42.328 42.059 -0.014 0.000 1.164 29 L HN -0.021 nan 8.230 nan 0.000 0.482 30 A N 2.842 125.650 122.820 -0.019 0.000 2.571 30 A HA 0.073 4.366 4.320 -0.044 0.000 0.274 30 A C 1.594 179.157 177.584 -0.035 0.000 1.196 30 A CA -0.323 51.699 52.037 -0.025 0.000 0.957 30 A CB 0.187 19.183 19.000 -0.005 0.000 1.150 30 A HN 0.864 nan 8.150 nan 0.000 0.539 31 Q N 0.145 119.915 119.800 -0.050 0.000 2.061 31 Q HA -0.070 4.243 4.340 -0.044 0.000 0.204 31 Q C 0.067 176.026 176.000 -0.069 0.000 0.984 31 Q CA 1.223 56.988 55.803 -0.064 0.000 0.846 31 Q CB -0.115 28.567 28.738 -0.093 0.000 0.902 31 Q HN 0.672 nan 8.270 nan 0.000 0.421 32 I N 2.385 122.913 120.570 -0.069 0.000 2.352 32 I HA 0.125 4.269 4.170 -0.044 0.000 0.290 32 I C -0.406 175.694 176.117 -0.029 0.000 1.036 32 I CA -0.651 60.620 61.300 -0.047 0.000 1.336 32 I CB 0.716 38.716 38.000 -0.000 0.000 1.407 32 I HN 0.313 nan 8.210 nan 0.000 0.497 33 N N 4.551 123.217 118.700 -0.055 0.000 3.102 33 N HA 0.366 5.079 4.740 -0.044 0.000 0.299 33 N C 0.033 175.488 175.510 -0.093 0.000 1.482 33 N CA -1.041 51.969 53.050 -0.066 0.000 0.785 33 N CB 0.713 39.173 38.487 -0.045 0.000 1.680 33 N HN 0.211 nan 8.380 nan 0.000 0.594 34 K N -0.424 119.924 120.400 -0.088 0.000 2.113 34 K HA -0.164 4.129 4.320 -0.044 0.000 0.208 34 K C 1.546 178.103 176.600 -0.072 0.000 1.047 34 K CA 2.025 58.255 56.287 -0.094 0.000 0.928 34 K CB -0.337 32.119 32.500 -0.074 0.000 0.716 34 K HN 0.683 nan 8.250 nan 0.000 0.446 35 S N 1.054 116.722 115.700 -0.054 0.000 2.428 35 S HA -0.121 4.322 4.470 -0.044 0.000 0.230 35 S C 1.370 175.947 174.600 -0.038 0.000 1.014 35 S CA 1.157 59.333 58.200 -0.040 0.000 0.957 35 S CB -0.453 62.729 63.200 -0.030 0.000 0.784 35 S HN 0.532 nan 8.310 nan 0.000 0.499 36 N N -0.096 118.574 118.700 -0.051 0.000 2.159 36 N HA 0.145 4.859 4.740 -0.044 0.000 0.217 36 N C 1.253 176.721 175.510 -0.070 0.000 1.223 36 N CA 0.217 53.238 53.050 -0.048 0.000 0.896 36 N CB 0.487 38.945 38.487 -0.048 0.000 1.064 36 N HN 0.187 nan 8.380 nan 0.000 0.518 37 V N 2.992 122.844 119.914 -0.103 0.000 2.594 37 V HA -0.264 3.830 4.120 -0.044 0.000 0.253 37 V C 2.448 178.466 176.094 -0.127 0.000 1.069 37 V CA 2.014 64.201 62.300 -0.189 0.000 1.082 37 V CB -0.588 31.071 31.823 -0.273 0.000 0.680 37 V HN 0.456 nan 8.190 nan 0.000 0.469 38 K N -0.244 120.168 120.400 0.020 0.000 2.280 38 K HA -0.153 4.140 4.320 -0.044 0.000 0.202 38 K C 1.330 178.043 176.600 0.189 0.000 1.047 38 K CA 1.901 58.288 56.287 0.167 0.000 0.942 38 K CB -0.461 32.096 32.500 0.095 0.000 0.739 38 K HN 0.461 nan 8.250 nan 0.000 0.457 39 N N 1.167 119.909 118.700 0.071 0.000 2.336 39 N HA 0.042 4.756 4.740 -0.044 0.000 0.189 39 N C -0.298 175.248 175.510 0.060 0.000 1.113 39 N CA 0.048 53.142 53.050 0.072 0.000 0.858 39 N CB 0.410 38.910 38.487 0.023 0.000 0.970 39 N HN -0.024 nan 8.380 nan 0.000 0.471 40 V N 2.499 122.394 119.914 -0.032 0.000 2.655 40 V HA 0.009 4.102 4.120 -0.044 0.000 0.300 40 V C 0.559 176.794 176.094 0.235 0.000 1.044 40 V CA 0.244 62.481 62.300 -0.105 0.000 1.095 40 V CB 0.443 31.894 31.823 -0.619 0.000 0.952 40 V HN 0.310 nan 8.190 nan 0.000 0.485 41 K N 3.561 124.084 120.400 0.205 0.000 2.466 41 K HA 0.868 5.162 4.320 -0.044 0.000 0.260 41 K C -0.729 175.980 176.600 0.181 0.000 1.011 41 K CA -0.934 55.520 56.287 0.278 0.000 0.871 41 K CB 2.023 34.618 32.500 0.160 0.000 1.404 41 K HN 0.592 nan 8.250 nan 0.000 0.450 42 A N 0.473 123.268 122.820 -0.040 0.000 2.488 42 A HA 0.439 4.732 4.320 -0.044 0.000 0.249 42 A C 0.808 178.238 177.584 -0.256 0.000 1.083 42 A CA 0.300 52.034 52.037 -0.504 0.000 0.768 42 A CB 0.236 18.829 19.000 -0.677 0.000 1.017 42 A HN 0.891 nan 8.150 nan 0.000 0.496 43 A N 3.389 126.031 122.820 -0.296 0.000 1.901 43 A HA 0.519 4.812 4.320 -0.044 0.000 0.210 43 A C 0.679 178.351 177.584 0.147 0.000 1.208 43 A CA 1.148 53.190 52.037 0.009 0.000 0.644 43 A CB -0.008 19.096 19.000 0.174 0.000 0.863 43 A HN 1.481 nan 8.150 nan 0.000 0.454 44 W N -2.240 118.964 121.300 -0.160 0.000 2.926 44 W HA 0.562 5.195 4.660 -0.045 0.000 0.361 44 W C -1.101 175.338 176.519 -0.133 0.000 1.195 44 W CA -0.126 57.148 57.345 -0.118 0.000 1.177 44 W CB 0.139 29.555 29.460 -0.075 0.000 1.453 44 W HN 0.532 nan 8.180 nan 0.000 0.571 45 S N 0.291 116.173 115.700 0.304 0.000 2.638 45 S HA 0.893 5.337 4.470 -0.044 0.000 0.274 45 S C -1.843 173.021 174.600 0.440 0.000 1.157 45 S CA -0.717 57.593 58.200 0.183 0.000 0.826 45 S CB 3.160 66.404 63.200 0.074 0.000 1.139 45 S HN 0.875 nan 8.310 nan 0.000 0.474 46 F N 1.062 121.101 119.950 0.148 0.000 2.689 46 F HA 0.619 5.120 4.527 -0.044 0.000 0.332 46 F C -0.541 175.238 175.800 -0.036 0.000 1.209 46 F CA -0.216 57.831 58.000 0.079 0.000 1.028 46 F CB 1.902 40.983 39.000 0.135 0.000 1.291 46 F HN 0.811 nan 8.300 nan 0.000 0.500 47 S N 2.602 117.911 115.700 -0.652 0.000 2.562 47 S HA 0.336 4.780 4.470 -0.044 0.000 0.275 47 S C 1.083 175.163 174.600 -0.866 0.000 1.281 47 S CA 0.223 58.096 58.200 -0.545 0.000 1.045 47 S CB 1.161 64.162 63.200 -0.331 0.000 0.962 47 S HN 0.834 nan 8.310 nan 0.000 0.503 48 T N 1.261 115.535 114.554 -0.467 0.000 3.081 48 T HA 0.263 4.587 4.350 -0.044 0.000 0.255 48 T C 1.448 176.048 174.700 -0.166 0.000 1.113 48 T CA 0.644 62.577 62.100 -0.279 0.000 1.082 48 T CB -0.485 68.471 68.868 0.146 0.000 0.939 48 T HN 1.579 nan 8.240 nan 0.000 0.506 49 G N 0.510 109.200 108.800 -0.183 0.000 2.143 49 G HA2 -0.177 3.757 3.960 -0.044 0.000 0.248 49 G HA3 -0.177 3.757 3.960 -0.044 0.000 0.248 49 G C -0.037 174.868 174.900 0.007 0.000 0.991 49 G CA 0.099 45.146 45.100 -0.088 0.000 0.689 49 G HN 0.802 nan 8.290 nan 0.000 0.522 50 V N 0.175 120.120 119.914 0.051 0.000 2.876 50 V HA 0.758 4.851 4.120 -0.044 0.000 0.312 50 V C 0.735 176.926 176.094 0.162 0.000 1.085 50 V CA -0.976 61.403 62.300 0.133 0.000 0.945 50 V CB 2.142 34.091 31.823 0.210 0.000 1.017 50 V HN 0.230 nan 8.190 nan 0.000 0.428 51 L N 1.483 122.796 121.223 0.150 0.000 2.902 51 L HA 0.684 4.997 4.340 -0.044 0.000 0.229 51 L C 0.390 177.379 176.870 0.199 0.000 1.324 51 L CA -0.765 54.146 54.840 0.119 0.000 1.230 51 L CB 0.621 42.702 42.059 0.036 0.000 2.134 51 L HN 0.823 nan 8.230 nan 0.000 0.567 52 N N -1.012 117.744 118.700 0.092 0.000 6.584 52 N HA -0.147 4.566 4.740 -0.044 0.000 0.411 52 N C -0.357 175.271 175.510 0.195 0.000 0.981 52 N CA 0.809 53.901 53.050 0.070 0.000 1.762 52 N CB -0.546 37.982 38.487 0.068 0.000 0.760 52 N HN 0.856 nan 8.380 nan 0.000 0.447 53 G N 0.103 108.990 108.800 0.145 0.000 2.340 53 G HA2 0.230 4.163 3.960 -0.044 0.000 0.245 53 G HA3 0.230 4.163 3.960 -0.044 0.000 0.245 53 G C -0.419 174.607 174.900 0.209 0.000 1.294 53 G CA 0.286 45.504 45.100 0.197 0.000 0.896 53 G HN 0.506 nan 8.290 nan 0.000 0.522 54 H N 1.642 120.773 119.070 0.101 0.000 2.643 54 H HA 0.267 4.797 4.556 -0.044 0.000 0.259 54 H C 0.519 175.942 175.328 0.157 0.000 1.298 54 H CA -0.354 55.736 56.048 0.071 0.000 1.301 54 H CB 0.505 30.241 29.762 -0.044 0.000 1.422 54 H HN 0.617 nan 8.280 nan 0.000 0.521 55 E N 0.964 121.334 120.200 0.284 0.000 2.359 55 E HA 0.482 4.805 4.350 -0.044 0.000 0.255 55 E C 0.823 177.720 176.600 0.495 0.000 1.191 55 E CA -0.092 56.548 56.400 0.402 0.000 0.952 55 E CB 0.905 30.868 29.700 0.438 0.000 1.152 55 E HN 0.699 nan 8.360 nan 0.000 0.496 56 G N -0.345 108.790 108.800 0.559 0.000 2.645 56 G HA2 0.046 3.979 3.960 -0.044 0.000 0.239 56 G HA3 0.046 3.979 3.960 -0.044 0.000 0.239 56 G C -0.745 174.465 174.900 0.516 0.000 1.331 56 G CA -0.402 45.070 45.100 0.619 0.000 0.890 56 G HN 0.925 nan 8.290 nan 0.000 0.572 57 A N -0.481 122.662 122.820 0.538 0.000 2.610 57 A HA 0.917 5.211 4.320 -0.044 0.000 0.291 57 A C -2.744 175.071 177.584 0.385 0.000 1.086 57 A CA 0.009 52.270 52.037 0.372 0.000 0.677 57 A CB 1.645 20.805 19.000 0.267 0.000 1.278 57 A HN 1.122 nan 8.150 nan 0.000 0.414 58 P HA 0.506 nan 4.420 nan 0.000 0.274 58 P C -0.836 176.607 177.300 0.239 0.000 1.246 58 P CA -0.154 63.082 63.100 0.226 0.000 0.795 58 P CB 0.658 32.406 31.700 0.081 0.000 1.006 59 L N 0.241 121.618 121.223 0.258 0.000 2.334 59 L HA 0.540 4.853 4.340 -0.044 0.000 0.272 59 L C -0.165 176.808 176.870 0.173 0.000 1.020 59 L CA -1.182 53.843 54.840 0.307 0.000 0.812 59 L CB 1.956 44.170 42.059 0.258 0.000 1.264 59 L HN 0.071 nan 8.230 nan 0.000 0.439 60 V N 3.927 123.925 119.914 0.140 0.000 2.443 60 V HA 0.422 4.515 4.120 -0.044 0.000 0.293 60 V C -0.470 175.621 176.094 -0.005 0.000 1.021 60 V CA -0.390 61.891 62.300 -0.032 0.000 0.848 60 V CB 2.024 33.733 31.823 -0.190 0.000 0.998 60 V HN 0.394 nan 8.190 nan 0.000 0.424 61 I N 4.506 125.067 120.570 -0.015 0.000 2.411 61 I HA 0.642 4.785 4.170 -0.044 0.000 0.284 61 I C 1.006 177.104 176.117 -0.032 0.000 1.012 61 I CA 0.375 61.608 61.300 -0.111 0.000 1.119 61 I CB 0.629 38.486 38.000 -0.237 0.000 1.261 61 I HN 0.818 nan 8.210 nan 0.000 0.448 62 G N 6.970 115.760 108.800 -0.017 0.000 2.591 62 G HA2 -0.320 3.613 3.960 -0.044 0.000 0.298 62 G HA3 -0.320 3.613 3.960 -0.044 0.000 0.298 62 G C 0.344 175.265 174.900 0.035 0.000 1.195 62 G CA 0.732 45.851 45.100 0.031 0.000 0.989 62 G HN 0.724 nan 8.290 nan 0.000 0.551 63 D N 0.583 120.996 120.400 0.023 0.000 2.427 63 D HA 0.339 4.952 4.640 -0.044 0.000 0.224 63 D C 0.945 177.116 176.300 -0.215 0.000 1.157 63 D CA 0.091 54.075 54.000 -0.027 0.000 0.828 63 D CB -0.126 40.731 40.800 0.095 0.000 0.974 63 D HN 0.549 nan 8.370 nan 0.000 0.498 64 M N 0.600 120.076 119.600 -0.207 0.000 2.456 64 M HA 0.406 4.859 4.480 -0.044 0.000 0.324 64 M C -0.622 175.379 176.300 -0.499 0.000 1.124 64 M CA -0.680 54.393 55.300 -0.378 0.000 0.959 64 M CB 3.094 35.514 32.600 -0.300 0.000 1.692 64 M HN -0.063 nan 8.290 nan 0.000 0.444 65 M N 2.300 121.481 119.600 -0.698 0.000 2.456 65 M HA 0.516 4.969 4.480 -0.044 0.000 0.324 65 M C -2.092 173.718 176.300 -0.818 0.000 1.124 65 M CA -0.499 54.449 55.300 -0.586 0.000 0.959 65 M CB 1.824 34.150 32.600 -0.458 0.000 1.692 65 M HN 0.629 nan 8.290 nan 0.000 0.444 66 Y N 3.270 123.464 120.300 -0.177 0.000 2.326 66 Y HA 0.560 5.086 4.550 -0.040 0.000 0.331 66 Y C -0.579 175.297 175.900 -0.040 0.000 0.962 66 Y CA -0.812 57.194 58.100 -0.157 0.000 1.167 66 Y CB 1.649 40.056 38.460 -0.087 0.000 1.148 66 Y HN 0.333 nan 8.280 nan 0.000 0.463 67 V N 4.196 124.143 119.914 0.055 0.000 2.547 67 V HA 0.418 4.511 4.120 -0.044 0.000 0.299 67 V C -0.266 176.020 176.094 0.320 0.000 1.040 67 V CA -0.765 61.635 62.300 0.166 0.000 0.913 67 V CB 1.370 33.217 31.823 0.039 0.000 0.992 67 V HN 0.824 nan 8.190 nan 0.000 0.449 68 H N 1.568 120.774 119.070 0.227 0.000 2.747 68 H HA 0.775 5.306 4.556 -0.043 0.000 0.371 68 H C -0.552 174.908 175.328 0.221 0.000 1.161 68 H CA -0.523 55.648 56.048 0.206 0.000 1.167 68 H CB 1.988 31.841 29.762 0.151 0.000 1.732 68 H HN 0.647 nan 8.280 nan 0.000 0.544 69 S N 1.739 117.481 115.700 0.070 0.000 2.786 69 S HA 0.816 5.259 4.470 -0.044 0.000 0.307 69 S C 0.289 174.756 174.600 -0.221 0.000 1.121 69 S CA -0.384 57.755 58.200 -0.101 0.000 0.975 69 S CB 1.490 64.785 63.200 0.158 0.000 1.220 69 S HN 1.048 nan 8.310 nan 0.000 0.550 70 A N 0.327 122.853 122.820 -0.490 0.000 2.251 70 A HA 0.567 4.860 4.320 -0.044 0.000 0.278 70 A C 0.000 177.603 177.584 0.031 0.000 1.206 70 A CA -0.647 51.276 52.037 -0.191 0.000 0.822 70 A CB -0.542 18.338 19.000 -0.201 0.000 1.187 70 A HN 0.956 nan 8.150 nan 0.000 0.504 71 F N 0.924 120.873 119.950 -0.002 0.000 2.642 71 F HA 0.189 4.689 4.527 -0.045 0.000 0.371 71 F C -1.116 174.699 175.800 0.024 0.000 1.120 71 F CA -0.988 57.026 58.000 0.023 0.000 1.331 71 F CB 0.650 39.673 39.000 0.039 0.000 1.044 71 F HN 0.309 nan 8.300 nan 0.000 0.594 72 P HA -0.027 nan 4.420 nan 0.000 0.263 72 P C -1.103 175.932 177.300 -0.441 0.000 1.386 72 P CA 0.380 62.802 63.100 -1.130 0.000 0.797 72 P CB -0.627 30.521 31.700 -0.920 0.000 1.381 73 N N -0.598 118.000 118.700 -0.171 0.000 2.699 73 N HA -0.135 4.578 4.740 -0.044 0.000 0.257 73 N C -0.601 174.888 175.510 -0.035 0.000 1.077 73 N CA 0.348 53.384 53.050 -0.023 0.000 0.702 73 N CB -1.810 36.692 38.487 0.025 0.000 0.886 73 N HN 0.302 nan 8.380 nan 0.000 0.549 74 N N 0.484 119.155 118.700 -0.049 0.000 2.524 74 N HA 0.367 5.080 4.740 -0.044 0.000 0.283 74 N C -0.103 175.294 175.510 -0.188 0.000 1.142 74 N CA 0.144 53.091 53.050 -0.172 0.000 0.984 74 N CB 0.948 39.309 38.487 -0.211 0.000 1.155 74 N HN 0.152 nan 8.380 nan 0.000 0.467 75 T N 1.723 116.090 114.554 -0.311 0.000 2.807 75 T HA 0.471 4.795 4.350 -0.044 0.000 0.279 75 T C -0.890 173.489 174.700 -0.534 0.000 0.993 75 T CA -0.369 61.614 62.100 -0.195 0.000 0.970 75 T CB 0.358 69.275 68.868 0.081 0.000 0.950 75 T HN 0.238 nan 8.240 nan 0.000 0.441 76 Y N 0.922 121.161 120.300 -0.102 0.000 2.361 76 Y HA 0.621 5.145 4.550 -0.043 0.000 0.337 76 Y C 0.101 175.661 175.900 -0.566 0.000 0.965 76 Y CA -1.201 56.737 58.100 -0.268 0.000 1.091 76 Y CB 1.635 40.016 38.460 -0.131 0.000 1.182 76 Y HN 0.781 nan 8.280 nan 0.000 0.450 77 A N 5.230 127.610 122.820 -0.733 0.000 2.271 77 A HA 0.855 5.148 4.320 -0.044 0.000 0.317 77 A C -1.148 176.012 177.584 -0.707 0.000 1.245 77 A CA -0.577 50.855 52.037 -1.007 0.000 0.857 77 A CB 0.294 18.271 19.000 -1.705 0.000 1.175 77 A HN 0.791 nan 8.150 nan 0.000 0.512 78 L N 2.610 123.405 121.223 -0.712 0.000 2.386 78 L HA 0.469 4.782 4.340 -0.044 0.000 0.271 78 L C -0.006 176.537 176.870 -0.545 0.000 0.993 78 L CA -0.908 53.590 54.840 -0.569 0.000 0.819 78 L CB 1.897 43.590 42.059 -0.611 0.000 1.294 78 L HN 0.728 nan 8.230 nan 0.000 0.414 79 N N 2.378 120.819 118.700 -0.431 0.000 2.455 79 N HA 0.263 4.977 4.740 -0.044 0.000 0.280 79 N C 0.727 175.933 175.510 -0.506 0.000 1.055 79 N CA -0.311 52.505 53.050 -0.390 0.000 0.961 79 N CB 1.792 40.133 38.487 -0.242 0.000 1.121 79 N HN 0.669 nan 8.380 nan 0.000 0.476 80 L N 2.781 123.611 121.223 -0.655 0.000 2.349 80 L HA -0.125 4.188 4.340 -0.044 0.000 0.220 80 L C 1.819 178.157 176.870 -0.887 0.000 1.130 80 L CA 0.620 54.869 54.840 -0.985 0.000 0.791 80 L CB -0.288 40.853 42.059 -1.530 0.000 0.918 80 L HN 0.575 nan 8.230 nan 0.000 0.444 81 N N -0.430 118.002 118.700 -0.447 0.000 2.459 81 N HA -0.112 4.602 4.740 -0.044 0.000 0.181 81 N C 0.211 175.630 175.510 -0.151 0.000 1.046 81 N CA 0.925 53.942 53.050 -0.055 0.000 0.904 81 N CB 0.182 38.706 38.487 0.061 0.000 0.964 81 N HN 0.233 nan 8.380 nan 0.000 0.444 82 D N -1.178 119.047 120.400 -0.292 0.000 2.584 82 D HA 0.191 4.804 4.640 -0.044 0.000 0.238 82 D C -2.316 173.732 176.300 -0.420 0.000 1.302 82 D CA -1.370 52.455 54.000 -0.291 0.000 0.884 82 D CB 1.053 41.746 40.800 -0.178 0.000 1.456 82 D HN -0.144 nan 8.370 nan 0.000 0.528 83 P HA 0.050 nan 4.420 nan 0.000 0.226 83 P C 1.320 178.333 177.300 -0.477 0.000 1.146 83 P CA 0.701 63.284 63.100 -0.862 0.000 0.773 83 P CB 0.375 31.026 31.700 -1.750 0.000 0.772 84 G N -0.814 107.800 108.800 -0.310 0.000 2.572 84 G HA2 -0.081 3.852 3.960 -0.044 0.000 0.216 84 G HA3 -0.081 3.852 3.960 -0.044 0.000 0.216 84 G C 0.480 175.318 174.900 -0.104 0.000 1.133 84 G CA 0.109 45.119 45.100 -0.151 0.000 0.791 84 G HN 0.269 nan 8.290 nan 0.000 0.538 85 K N 0.564 120.875 120.400 -0.148 0.000 2.213 85 K HA 0.446 4.740 4.320 -0.044 0.000 0.270 85 K C -0.723 175.806 176.600 -0.117 0.000 1.002 85 K CA -0.500 55.726 56.287 -0.102 0.000 0.868 85 K CB 2.254 34.694 32.500 -0.099 0.000 1.093 85 K HN 0.007 nan 8.250 nan 0.000 0.454 86 I N 4.343 124.886 120.570 -0.044 0.000 2.269 86 I HA -0.028 4.115 4.170 -0.044 0.000 0.293 86 I C 1.495 177.597 176.117 -0.025 0.000 1.106 86 I CA -0.322 60.956 61.300 -0.038 0.000 1.248 86 I CB 0.814 38.874 38.000 0.100 0.000 1.444 86 I HN 0.501 nan 8.210 nan 0.000 0.497 87 V N 6.775 126.633 119.914 -0.094 0.000 2.287 87 V HA -0.151 3.943 4.120 -0.044 0.000 0.248 87 V C 0.625 176.824 176.094 0.175 0.000 1.053 87 V CA 1.592 63.894 62.300 0.003 0.000 1.027 87 V CB -0.512 31.290 31.823 -0.035 0.000 0.646 87 V HN 0.843 nan 8.190 nan 0.000 0.447 88 W N 0.128 121.438 121.300 0.017 0.000 3.137 88 W HA 0.664 5.298 4.660 -0.043 0.000 0.324 88 W C -1.526 175.030 176.519 0.061 0.000 1.253 88 W CA -1.019 56.350 57.345 0.040 0.000 1.183 88 W CB 1.273 30.756 29.460 0.038 0.000 1.424 88 W HN 0.258 nan 8.180 nan 0.000 0.566 89 Q N 1.287 121.383 119.800 0.493 0.000 2.418 89 Q HA 0.479 4.793 4.340 -0.044 0.000 0.282 89 Q C -2.161 174.052 176.000 0.354 0.000 1.044 89 Q CA -0.967 54.990 55.803 0.256 0.000 0.813 89 Q CB 3.322 32.126 28.738 0.110 0.000 1.428 89 Q HN 0.572 nan 8.270 nan 0.000 0.402 90 H N 0.656 119.782 119.070 0.093 0.000 2.906 90 H HA 0.441 4.972 4.556 -0.042 0.000 0.324 90 H C -1.596 173.682 175.328 -0.084 0.000 0.973 90 H CA -0.484 55.599 56.048 0.058 0.000 1.321 90 H CB 1.351 31.195 29.762 0.137 0.000 1.535 90 H HN 0.548 nan 8.280 nan 0.000 0.518 91 K N 6.847 126.972 120.400 -0.458 0.000 2.473 91 K HA 0.293 4.587 4.320 -0.044 0.000 0.246 91 K C -2.652 173.667 176.600 -0.467 0.000 1.011 91 K CA -1.905 54.153 56.287 -0.382 0.000 0.984 91 K CB 1.384 33.769 32.500 -0.191 0.000 1.250 91 K HN 0.482 nan 8.250 nan 0.000 0.454 92 P HA -0.032 nan 4.420 nan 0.000 0.268 92 P C -0.917 176.238 177.300 -0.243 0.000 1.208 92 P CA -0.085 62.803 63.100 -0.353 0.000 0.777 92 P CB 0.558 32.119 31.700 -0.231 0.000 0.875 93 K N 2.792 123.093 120.400 -0.165 0.000 2.316 93 K HA 0.323 4.617 4.320 -0.044 0.000 0.267 93 K C -0.187 176.355 176.600 -0.096 0.000 1.025 93 K CA -0.414 55.805 56.287 -0.113 0.000 0.896 93 K CB 1.105 33.565 32.500 -0.066 0.000 1.124 93 K HN 0.453 nan 8.250 nan 0.000 0.451 94 Q N 1.390 121.142 119.800 -0.079 0.000 2.423 94 Q HA 0.258 4.571 4.340 -0.044 0.000 0.278 94 Q C -1.150 174.921 176.000 0.119 0.000 1.097 94 Q CA -1.180 54.629 55.803 0.010 0.000 0.809 94 Q CB 2.230 31.012 28.738 0.073 0.000 1.391 94 Q HN 0.436 nan 8.270 nan 0.000 0.428 95 D N 1.031 121.500 120.400 0.115 0.000 2.425 95 D HA 0.074 4.688 4.640 -0.044 0.000 0.247 95 D C 0.617 177.019 176.300 0.171 0.000 1.147 95 D CA 0.177 54.242 54.000 0.108 0.000 0.879 95 D CB 1.487 42.321 40.800 0.056 0.000 1.179 95 D HN 0.737 nan 8.370 nan 0.000 0.456 96 A N 2.445 125.356 122.820 0.151 0.000 2.024 96 A HA -0.197 4.096 4.320 -0.044 0.000 0.220 96 A C 2.063 179.643 177.584 -0.007 0.000 1.164 96 A CA 1.714 53.831 52.037 0.133 0.000 0.643 96 A CB -0.432 18.636 19.000 0.113 0.000 0.806 96 A HN 0.577 nan 8.150 nan 0.000 0.451 97 S N -0.852 114.847 115.700 -0.002 0.000 2.469 97 S HA -0.139 4.304 4.470 -0.044 0.000 0.238 97 S C 1.657 176.205 174.600 -0.086 0.000 0.998 97 S CA 1.681 59.860 58.200 -0.036 0.000 0.957 97 S CB -1.110 62.081 63.200 -0.016 0.000 0.764 97 S HN 0.509 nan 8.310 nan 0.000 0.514 98 T N 2.727 117.211 114.554 -0.116 0.000 2.759 98 T HA -0.097 4.226 4.350 -0.044 0.000 0.269 98 T C 1.660 176.193 174.700 -0.278 0.000 1.042 98 T CA 1.665 63.662 62.100 -0.172 0.000 1.140 98 T CB -0.318 68.462 68.868 -0.146 0.000 0.864 98 T HN 0.592 nan 8.240 nan 0.000 0.455 99 K N 1.299 121.446 120.400 -0.422 0.000 2.209 99 K HA 0.060 4.353 4.320 -0.044 0.000 0.204 99 K C 2.579 179.089 176.600 -0.151 0.000 1.048 99 K CA 1.031 57.109 56.287 -0.347 0.000 0.940 99 K CB -0.242 32.056 32.500 -0.335 0.000 0.729 99 K HN 0.307 nan 8.250 nan 0.000 0.451 100 A N 1.323 124.079 122.820 -0.107 0.000 2.070 100 A HA -0.090 4.204 4.320 -0.044 0.000 0.220 100 A C 2.026 179.626 177.584 0.027 0.000 1.159 100 A CA 1.443 53.461 52.037 -0.032 0.000 0.656 100 A CB -0.361 18.625 19.000 -0.025 0.000 0.800 100 A HN 0.199 nan 8.150 nan 0.000 0.453 101 V N -3.951 115.922 119.914 -0.069 0.000 3.376 101 V HA 0.396 4.489 4.120 -0.044 0.000 0.313 101 V C 0.416 176.423 176.094 -0.145 0.000 1.393 101 V CA -0.174 62.016 62.300 -0.183 0.000 1.125 101 V CB -0.865 30.824 31.823 -0.223 0.000 1.037 101 V HN 0.390 nan 8.190 nan 0.000 0.440 102 M N 1.358 120.936 119.600 -0.036 0.000 2.080 102 M HA 0.259 4.713 4.480 -0.044 0.000 0.350 102 M C 1.473 177.804 176.300 0.051 0.000 1.173 102 M CA -0.361 54.921 55.300 -0.030 0.000 1.052 102 M CB 1.407 33.975 32.600 -0.053 0.000 1.577 102 M HN 0.577 nan 8.290 nan 0.000 0.455 103 C N 1.230 120.557 119.300 0.046 0.000 2.429 103 C HA -0.047 4.387 4.460 -0.044 0.000 0.277 103 C C 1.047 175.943 174.990 -0.155 0.000 1.262 103 C CA 0.215 59.258 59.018 0.042 0.000 1.733 103 C CB -0.747 26.974 27.740 -0.032 0.000 2.010 103 C HN 0.867 nan 8.230 nan 0.000 0.483 104 C N 2.092 121.310 119.300 -0.137 0.000 3.290 104 C HA 0.584 5.017 4.460 -0.044 0.000 0.206 104 C C -0.547 174.489 174.990 0.076 0.000 1.639 104 C CA -0.476 58.476 59.018 -0.110 0.000 1.408 104 C CB -2.220 25.400 27.740 -0.200 0.000 2.197 104 C HN 0.821 nan 8.230 nan 0.000 0.508 105 D N 0.303 120.794 120.400 0.152 0.000 10.746 105 D HA -0.174 4.440 4.640 -0.044 0.000 0.347 105 D C 0.185 176.599 176.300 0.189 0.000 3.135 105 D CA 0.996 55.180 54.000 0.305 0.000 2.657 105 D CB 0.186 41.149 40.800 0.272 0.000 1.219 105 D HN 0.751 nan 8.370 nan 0.000 0.943 106 V N 0.376 120.411 119.914 0.202 0.000 2.800 106 V HA 0.425 4.519 4.120 -0.044 0.000 0.365 106 V C 1.054 177.249 176.094 0.167 0.000 1.527 106 V CA 0.112 62.497 62.300 0.142 0.000 1.623 106 V CB -0.703 31.195 31.823 0.126 0.000 1.407 106 V HN 0.619 nan 8.190 nan 0.000 0.527 107 V N -1.033 118.976 119.914 0.159 0.000 3.083 107 V HA 0.679 4.772 4.120 -0.044 0.000 0.306 107 V C -0.132 176.073 176.094 0.185 0.000 1.077 107 V CA -0.293 62.110 62.300 0.171 0.000 1.073 107 V CB 1.681 33.636 31.823 0.220 0.000 1.081 107 V HN 0.603 nan 8.190 nan 0.000 0.474 108 D N 1.127 121.659 120.400 0.219 0.000 2.736 108 D HA 0.353 4.966 4.640 -0.044 0.000 0.243 108 D C 0.412 176.926 176.300 0.356 0.000 1.304 108 D CA -0.604 53.549 54.000 0.255 0.000 0.934 108 D CB 1.991 42.965 40.800 0.289 0.000 1.382 108 D HN 0.610 nan 8.370 nan 0.000 0.571 109 R N 1.846 122.492 120.500 0.244 0.000 2.319 109 R HA 0.411 4.724 4.340 -0.044 0.000 0.204 109 R C 0.946 177.377 176.300 0.220 0.000 0.954 109 R CA 0.293 56.573 56.100 0.300 0.000 1.066 109 R CB 0.288 30.649 30.300 0.102 0.000 0.991 109 R HN 0.573 nan 8.270 nan 0.000 0.486 110 G N 0.261 108.933 108.800 -0.213 0.000 2.355 110 G HA2 -0.075 3.858 3.960 -0.044 0.000 0.619 110 G HA3 -0.075 3.858 3.960 -0.044 0.000 0.619 110 G C -1.041 173.709 174.900 -0.250 0.000 1.337 110 G CA -1.117 43.655 45.100 -0.546 0.000 0.993 110 G HN 0.010 nan 8.290 nan 0.000 0.599 111 L N 0.143 121.271 121.223 -0.158 0.000 2.400 111 L HA 0.868 5.182 4.340 -0.044 0.000 0.264 111 L C 0.988 177.889 176.870 0.051 0.000 1.061 111 L CA -0.372 54.454 54.840 -0.024 0.000 0.799 111 L CB 1.497 43.568 42.059 0.020 0.000 1.240 111 L HN 1.262 nan 8.230 nan 0.000 0.461 112 A N 0.214 123.048 122.820 0.023 0.000 2.486 112 A HA 0.774 5.068 4.320 -0.044 0.000 0.289 112 A C -1.956 175.649 177.584 0.035 0.000 1.176 112 A CA -0.384 51.670 52.037 0.027 0.000 0.757 112 A CB 1.689 20.682 19.000 -0.011 0.000 1.337 112 A HN 0.600 nan 8.150 nan 0.000 0.423 113 Y N -0.840 119.383 120.300 -0.129 0.000 2.513 113 Y HA 0.600 5.129 4.550 -0.036 0.000 0.340 113 Y C -0.203 175.624 175.900 -0.122 0.000 1.055 113 Y CA 0.160 58.175 58.100 -0.142 0.000 1.020 113 Y CB 2.065 40.443 38.460 -0.137 0.000 1.301 113 Y HN 1.398 nan 8.280 nan 0.000 0.453 114 G N 2.316 110.640 108.800 -0.793 0.000 2.691 114 G HA2 0.572 4.505 3.960 -0.044 0.000 0.298 114 G HA3 0.572 4.505 3.960 -0.044 0.000 0.298 114 G C -0.508 174.062 174.900 -0.551 0.000 1.471 114 G CA -0.309 44.484 45.100 -0.513 0.000 0.912 114 G HN 1.625 nan 8.290 nan 0.000 0.553 115 A N -0.280 122.337 122.820 -0.338 0.000 2.640 115 A HA 0.337 4.630 4.320 -0.044 0.000 0.300 115 A C 2.289 179.707 177.584 -0.277 0.000 1.499 115 A CA 2.104 54.011 52.037 -0.217 0.000 0.759 115 A CB -1.337 17.585 19.000 -0.130 0.000 1.048 115 A HN 3.123 nan 8.150 nan 0.000 0.450 116 G N -2.044 106.526 108.800 -0.383 0.000 2.203 116 G HA2 -0.234 3.699 3.960 -0.044 0.000 0.263 116 G HA3 -0.234 3.699 3.960 -0.044 0.000 0.263 116 G C -0.072 174.648 174.900 -0.300 0.000 1.012 116 G CA 1.208 46.179 45.100 -0.216 0.000 0.749 116 G HN 1.540 nan 8.290 nan 0.000 0.512 117 Q N -0.868 118.583 119.800 -0.581 0.000 2.394 117 Q HA 0.667 4.980 4.340 -0.044 0.000 0.273 117 Q C -0.255 175.486 176.000 -0.432 0.000 1.089 117 Q CA -1.173 54.379 55.803 -0.418 0.000 0.812 117 Q CB 2.063 30.576 28.738 -0.374 0.000 1.353 117 Q HN 0.146 nan 8.270 nan 0.000 0.438 118 I N 2.361 122.774 120.570 -0.263 0.000 2.325 118 I HA 0.197 4.340 4.170 -0.044 0.000 0.291 118 I C -0.408 175.565 176.117 -0.240 0.000 1.019 118 I CA -0.413 60.772 61.300 -0.192 0.000 1.302 118 I CB 1.312 39.241 38.000 -0.118 0.000 1.401 118 I HN 0.390 nan 8.210 nan 0.000 0.485 119 V N 8.320 128.109 119.914 -0.208 0.000 2.364 119 V HA 0.346 4.439 4.120 -0.044 0.000 0.272 119 V C 0.185 176.184 176.094 -0.158 0.000 1.036 119 V CA -0.620 61.535 62.300 -0.243 0.000 0.880 119 V CB 1.046 32.761 31.823 -0.182 0.000 0.991 119 V HN 0.779 nan 8.190 nan 0.000 0.460 120 K N 4.280 124.568 120.400 -0.187 0.000 2.426 120 K HA 0.872 5.166 4.320 -0.044 0.000 0.251 120 K C -0.989 175.561 176.600 -0.083 0.000 0.941 120 K CA -1.175 55.056 56.287 -0.093 0.000 0.808 120 K CB 2.629 35.103 32.500 -0.044 0.000 1.265 120 K HN 0.442 nan 8.250 nan 0.000 0.432 121 K N 0.772 121.162 120.400 -0.017 0.000 2.316 121 K HA 0.418 4.711 4.320 -0.044 0.000 0.234 121 K C -0.875 175.760 176.600 0.058 0.000 1.054 121 K CA -0.716 55.580 56.287 0.015 0.000 0.879 121 K CB 1.164 33.681 32.500 0.028 0.000 1.252 121 K HN 0.657 nan 8.250 nan 0.000 0.471 122 Q N -0.768 119.079 119.800 0.078 0.000 2.423 122 Q HA 0.554 4.868 4.340 -0.044 0.000 0.278 122 Q C 0.181 176.250 176.000 0.114 0.000 1.097 122 Q CA -0.861 54.992 55.803 0.082 0.000 0.809 122 Q CB 2.122 30.877 28.738 0.029 0.000 1.391 122 Q HN 0.746 nan 8.270 nan 0.000 0.428 123 A N 1.839 124.768 122.820 0.182 0.000 1.978 123 A HA -0.219 4.075 4.320 -0.044 0.000 0.220 123 A C 1.422 179.080 177.584 0.122 0.000 1.170 123 A CA 2.099 54.245 52.037 0.183 0.000 0.636 123 A CB -0.646 18.526 19.000 0.286 0.000 0.810 123 A HN 0.844 nan 8.150 nan 0.000 0.448 124 N N -0.641 118.128 118.700 0.115 0.000 2.575 124 N HA 0.183 4.896 4.740 -0.044 0.000 0.192 124 N C 0.978 176.541 175.510 0.088 0.000 1.200 124 N CA 1.360 54.444 53.050 0.056 0.000 0.897 124 N CB -0.532 37.945 38.487 -0.017 0.000 0.990 124 N HN 0.870 nan 8.380 nan 0.000 0.449 125 G N -1.099 107.772 108.800 0.118 0.000 2.176 125 G HA2 -0.238 3.695 3.960 -0.044 0.000 0.232 125 G HA3 -0.238 3.695 3.960 -0.044 0.000 0.232 125 G C -0.336 174.699 174.900 0.225 0.000 0.986 125 G CA -0.047 45.148 45.100 0.160 0.000 0.643 125 G HN 0.649 nan 8.290 nan 0.000 0.522 126 H N -0.584 118.498 119.070 0.021 0.000 2.582 126 H HA 0.516 5.046 4.556 -0.042 0.000 0.345 126 H C -0.430 174.874 175.328 -0.040 0.000 1.104 126 H CA -0.303 55.741 56.048 -0.006 0.000 1.390 126 H CB 1.976 31.745 29.762 0.012 0.000 1.461 126 H HN 0.215 nan 8.280 nan 0.000 0.551 127 L N 4.012 125.243 121.223 0.015 0.000 2.356 127 L HA 0.365 4.679 4.340 -0.044 0.000 0.277 127 L C -1.726 175.072 176.870 -0.119 0.000 0.996 127 L CA -0.508 54.287 54.840 -0.075 0.000 0.822 127 L CB 1.162 43.107 42.059 -0.191 0.000 1.256 127 L HN 0.393 nan 8.230 nan 0.000 0.413 128 L N 4.367 125.400 121.223 -0.317 0.000 2.350 128 L HA 0.954 5.268 4.340 -0.044 0.000 0.260 128 L C -0.467 175.810 176.870 -0.989 0.000 1.015 128 L CA -0.550 53.926 54.840 -0.606 0.000 0.821 128 L CB 2.012 43.831 42.059 -0.401 0.000 1.370 128 L HN 0.694 nan 8.230 nan 0.000 0.416 129 A N 2.010 124.008 122.820 -1.370 0.000 2.311 129 A HA 0.862 5.156 4.320 -0.044 0.000 0.306 129 A C -1.373 175.757 177.584 -0.758 0.000 1.189 129 A CA -0.307 51.019 52.037 -1.184 0.000 0.791 129 A CB 0.513 18.471 19.000 -1.737 0.000 1.172 129 A HN 0.466 nan 8.150 nan 0.000 0.481 130 L N 1.574 122.476 121.223 -0.535 0.000 2.329 130 L HA 0.414 4.727 4.340 -0.044 0.000 0.279 130 L C 0.103 176.732 176.870 -0.401 0.000 1.014 130 L CA -0.332 54.222 54.840 -0.477 0.000 0.814 130 L CB 1.746 43.518 42.059 -0.478 0.000 1.257 130 L HN 0.793 nan 8.230 nan 0.000 0.424 131 D N 1.406 121.565 120.400 -0.402 0.000 2.487 131 D HA 0.200 4.814 4.640 -0.044 0.000 0.243 131 D C 1.028 177.182 176.300 -0.244 0.000 1.154 131 D CA 0.565 54.391 54.000 -0.291 0.000 0.876 131 D CB 1.287 41.928 40.800 -0.266 0.000 1.161 131 D HN 0.685 nan 8.370 nan 0.000 0.478 132 A N 4.209 127.007 122.820 -0.038 0.000 2.070 132 A HA -0.164 4.130 4.320 -0.044 0.000 0.220 132 A C 1.788 179.666 177.584 0.490 0.000 1.159 132 A CA 1.221 53.397 52.037 0.231 0.000 0.656 132 A CB -0.165 18.991 19.000 0.259 0.000 0.800 132 A HN 0.674 nan 8.150 nan 0.000 0.453 133 K N -1.285 119.243 120.400 0.214 0.000 2.202 133 K HA -0.006 4.287 4.320 -0.044 0.000 0.201 133 K C 1.905 178.562 176.600 0.095 0.000 1.051 133 K CA 1.424 57.851 56.287 0.233 0.000 0.977 133 K CB 0.056 32.625 32.500 0.116 0.000 0.792 133 K HN 0.614 nan 8.250 nan 0.000 0.469 134 T N -3.735 110.670 114.554 -0.248 0.000 2.969 134 T HA 0.219 4.542 4.350 -0.044 0.000 0.250 134 T C 1.450 175.565 174.700 -0.975 0.000 1.021 134 T CA 0.502 62.361 62.100 -0.403 0.000 1.003 134 T CB 0.809 69.532 68.868 -0.242 0.000 1.040 134 T HN 0.276 nan 8.240 nan 0.000 0.492 135 G N 1.839 109.705 108.800 -1.556 0.000 2.176 135 G HA2 -0.280 3.653 3.960 -0.044 0.000 0.253 135 G HA3 -0.280 3.653 3.960 -0.044 0.000 0.253 135 G C -0.017 174.355 174.900 -0.880 0.000 0.979 135 G CA 0.288 44.178 45.100 -2.015 0.000 0.641 135 G HN 0.865 nan 8.290 nan 0.000 0.530 136 K N 0.750 120.803 120.400 -0.579 0.000 2.451 136 K HA 0.379 4.672 4.320 -0.044 0.000 0.280 136 K C 0.694 177.078 176.600 -0.360 0.000 1.020 136 K CA -0.485 55.587 56.287 -0.358 0.000 1.008 136 K CB 0.058 32.407 32.500 -0.251 0.000 0.917 136 K HN 0.272 nan 8.250 nan 0.000 0.478 137 I N 5.464 125.857 120.570 -0.294 0.000 2.421 137 I HA -0.065 4.078 4.170 -0.044 0.000 0.291 137 I C 0.941 176.922 176.117 -0.227 0.000 1.089 137 I CA -0.381 60.738 61.300 -0.302 0.000 1.354 137 I CB 0.654 38.512 38.000 -0.236 0.000 1.413 137 I HN 0.695 nan 8.210 nan 0.000 0.513 138 N N 6.896 125.430 118.700 -0.277 0.000 2.290 138 N HA 0.040 4.753 4.740 -0.044 0.000 0.179 138 N C -0.385 175.142 175.510 0.027 0.000 1.016 138 N CA 0.782 53.748 53.050 -0.141 0.000 0.871 138 N CB 0.335 38.731 38.487 -0.152 0.000 0.987 138 N HN 0.687 nan 8.380 nan 0.000 0.431 139 W N -0.381 120.832 121.300 -0.145 0.000 3.248 139 W HA 0.564 5.208 4.660 -0.026 0.000 0.311 139 W C -1.517 174.909 176.519 -0.155 0.000 1.258 139 W CA -0.603 56.660 57.345 -0.137 0.000 1.191 139 W CB 0.816 30.197 29.460 -0.133 0.000 1.389 139 W HN -0.243 nan 8.180 nan 0.000 0.561 140 E N 2.094 122.440 120.200 0.243 0.000 2.294 140 E HA 0.472 4.796 4.350 -0.044 0.000 0.272 140 E C -1.623 175.005 176.600 0.046 0.000 0.896 140 E CA -0.543 55.914 56.400 0.095 0.000 0.802 140 E CB 2.479 32.175 29.700 -0.006 0.000 1.267 140 E HN 0.560 nan 8.360 nan 0.000 0.406 141 V N 0.426 120.349 119.914 0.015 0.000 3.074 141 V HA 0.625 4.718 4.120 -0.044 0.000 0.314 141 V C -0.480 175.487 176.094 -0.212 0.000 1.117 141 V CA -0.973 61.254 62.300 -0.123 0.000 1.014 141 V CB 1.871 33.609 31.823 -0.142 0.000 1.057 141 V HN 0.657 nan 8.190 nan 0.000 0.438 142 E N 0.785 120.876 120.200 -0.183 0.000 2.259 142 E HA 0.514 4.838 4.350 -0.044 0.000 0.281 142 E C -0.138 176.455 176.600 -0.011 0.000 1.027 142 E CA -0.440 55.894 56.400 -0.110 0.000 0.838 142 E CB 2.092 31.750 29.700 -0.070 0.000 1.066 142 E HN 0.584 nan 8.360 nan 0.000 0.401 143 V N 1.441 121.374 119.914 0.031 0.000 3.359 143 V HA 0.081 4.174 4.120 -0.044 0.000 0.245 143 V C 0.152 176.315 176.094 0.117 0.000 1.247 143 V CA 0.249 62.612 62.300 0.106 0.000 1.145 143 V CB 0.714 32.575 31.823 0.064 0.000 0.906 143 V HN 0.717 nan 8.190 nan 0.000 0.464 144 c N 0.302 118.963 118.600 0.102 0.000 2.797 144 c HA 0.665 5.209 4.570 -0.044 0.000 0.306 144 c C -0.879 173.264 174.090 0.089 0.000 1.207 144 c CA -0.827 55.560 56.329 0.096 0.000 1.507 144 c CB 1.694 44.259 42.510 0.091 0.000 2.028 144 c HN 0.443 nan 8.230 nan 0.000 0.475 145 D N 1.412 121.855 120.400 0.072 0.000 2.427 145 D HA 0.392 5.006 4.640 -0.044 0.000 0.226 145 D C -1.788 174.530 176.300 0.030 0.000 1.076 145 D CA -2.002 52.032 54.000 0.056 0.000 0.849 145 D CB 1.442 42.271 40.800 0.048 0.000 1.052 145 D HN 0.144 nan 8.370 nan 0.000 0.515 146 P HA -0.108 nan 4.420 nan 0.000 0.221 146 P C 0.784 178.063 177.300 -0.035 0.000 1.145 146 P CA 1.044 64.137 63.100 -0.013 0.000 0.795 146 P CB 0.267 31.961 31.700 -0.009 0.000 0.775 147 K N -0.487 119.902 120.400 -0.019 0.000 2.360 147 K HA -0.042 4.251 4.320 -0.044 0.000 0.201 147 K C 1.342 177.912 176.600 -0.050 0.000 1.046 147 K CA 1.327 57.594 56.287 -0.033 0.000 0.945 147 K CB -0.293 32.197 32.500 -0.017 0.000 0.750 147 K HN 0.203 nan 8.250 nan 0.000 0.464 148 V N -4.021 115.872 119.914 -0.036 0.000 3.319 148 V HA 0.432 4.526 4.120 -0.044 0.000 0.317 148 V C 0.772 176.837 176.094 -0.048 0.000 1.411 148 V CA 0.137 62.416 62.300 -0.035 0.000 1.112 148 V CB 0.100 31.930 31.823 0.012 0.000 1.031 148 V HN 0.309 nan 8.190 nan 0.000 0.448 149 G N 0.206 108.955 108.800 -0.085 0.000 2.141 149 G HA2 -0.241 3.693 3.960 -0.044 0.000 0.231 149 G HA3 -0.241 3.693 3.960 -0.044 0.000 0.231 149 G C 0.198 175.048 174.900 -0.083 0.000 0.984 149 G CA 0.322 45.340 45.100 -0.137 0.000 0.660 149 G HN 1.034 nan 8.290 nan 0.000 0.525 150 S N 0.662 116.348 115.700 -0.025 0.000 2.442 150 S HA 0.792 5.235 4.470 -0.044 0.000 0.297 150 S C 0.460 175.070 174.600 0.017 0.000 1.131 150 S CA 0.904 59.113 58.200 0.016 0.000 1.092 150 S CB 1.043 64.276 63.200 0.055 0.000 0.998 150 S HN 1.338 nan 8.310 nan 0.000 0.478 151 T N 2.431 116.998 114.554 0.021 0.000 2.804 151 T HA 0.683 5.007 4.350 -0.044 0.000 0.290 151 T C -0.917 173.820 174.700 0.062 0.000 1.099 151 T CA -0.930 61.189 62.100 0.032 0.000 1.011 151 T CB 0.769 69.637 68.868 -0.001 0.000 1.291 151 T HN 0.472 nan 8.240 nan 0.000 0.523 152 L N 1.406 122.675 121.223 0.077 0.000 2.356 152 L HA 0.604 4.918 4.340 -0.044 0.000 0.277 152 L C 0.920 177.851 176.870 0.102 0.000 0.996 152 L CA -0.595 54.302 54.840 0.095 0.000 0.822 152 L CB 2.402 44.517 42.059 0.094 0.000 1.256 152 L HN 1.196 nan 8.230 nan 0.000 0.413 153 T N -2.293 112.329 114.554 0.113 0.000 3.168 153 T HA 0.052 4.376 4.350 -0.044 0.000 0.261 153 T C 0.421 175.189 174.700 0.113 0.000 0.931 153 T CA -0.336 61.838 62.100 0.123 0.000 0.949 153 T CB 0.113 69.052 68.868 0.119 0.000 1.229 153 T HN 0.537 nan 8.240 nan 0.000 0.504 154 Q N 1.864 121.726 119.800 0.103 0.000 2.492 154 Q HA 0.634 4.947 4.340 -0.044 0.000 0.238 154 Q C 0.030 176.034 176.000 0.007 0.000 1.045 154 Q CA -0.529 55.267 55.803 -0.011 0.000 0.934 154 Q CB 0.448 29.169 28.738 -0.029 0.000 1.276 154 Q HN 0.433 nan 8.270 nan 0.000 0.521 155 A N 2.227 125.017 122.820 -0.049 0.000 2.388 155 A HA 0.487 4.780 4.320 -0.044 0.000 0.257 155 A C -2.231 175.460 177.584 0.180 0.000 1.095 155 A CA -1.480 50.613 52.037 0.094 0.000 0.791 155 A CB -0.097 19.044 19.000 0.236 0.000 1.029 155 A HN 0.672 nan 8.150 nan 0.000 0.489 156 P HA 0.392 nan 4.420 nan 0.000 0.274 156 P C -0.972 176.439 177.300 0.184 0.000 1.246 156 P CA 0.001 63.174 63.100 0.122 0.000 0.795 156 P CB 0.372 32.093 31.700 0.035 0.000 1.006 157 F N 0.934 120.811 119.950 -0.121 0.000 2.536 157 F HA 0.442 4.941 4.527 -0.046 0.000 0.322 157 F C -1.229 174.443 175.800 -0.213 0.000 1.144 157 F CA -0.749 57.158 58.000 -0.155 0.000 0.924 157 F CB 1.227 39.988 39.000 -0.398 0.000 1.181 157 F HN -0.080 nan 8.300 nan 0.000 0.438 158 V N 5.305 124.932 119.914 -0.479 0.000 2.394 158 V HA 0.847 4.940 4.120 -0.044 0.000 0.282 158 V C -0.376 175.504 176.094 -0.357 0.000 1.031 158 V CA -0.502 61.606 62.300 -0.320 0.000 0.881 158 V CB 1.166 32.864 31.823 -0.208 0.000 0.982 158 V HN 0.923 nan 8.190 nan 0.000 0.451 159 A N 4.727 127.386 122.820 -0.269 0.000 2.402 159 A HA 0.731 5.025 4.320 -0.044 0.000 0.291 159 A C 0.047 177.467 177.584 -0.274 0.000 1.051 159 A CA -0.568 51.245 52.037 -0.373 0.000 0.716 159 A CB 1.062 19.613 19.000 -0.748 0.000 1.223 159 A HN 0.776 nan 8.150 nan 0.000 0.425 160 K N 0.382 120.685 120.400 -0.162 0.000 1.779 160 K HA -0.201 4.092 4.320 -0.044 0.000 0.128 160 K C -0.585 175.973 176.600 -0.070 0.000 1.288 160 K CA 1.876 58.120 56.287 -0.072 0.000 0.398 160 K CB -0.795 31.674 32.500 -0.052 0.000 0.609 160 K HN 0.738 nan 8.250 nan 0.000 0.874 161 D N 1.505 121.865 120.400 -0.067 0.000 2.491 161 D HA 0.179 4.792 4.640 -0.044 0.000 0.228 161 D C -0.587 175.655 176.300 -0.098 0.000 1.183 161 D CA 0.397 54.357 54.000 -0.067 0.000 0.827 161 D CB 0.472 41.242 40.800 -0.051 0.000 0.989 161 D HN 0.206 nan 8.370 nan 0.000 0.494 162 T N -0.154 114.321 114.554 -0.132 0.000 2.863 162 T HA 0.452 4.775 4.350 -0.044 0.000 0.285 162 T C -0.134 174.457 174.700 -0.182 0.000 1.009 162 T CA -0.553 61.438 62.100 -0.182 0.000 0.989 162 T CB 2.784 71.514 68.868 -0.229 0.000 1.004 162 T HN -0.299 nan 8.240 nan 0.000 0.455 163 V N 4.179 124.004 119.914 -0.149 0.000 2.384 163 V HA 0.444 4.537 4.120 -0.044 0.000 0.287 163 V C -0.330 175.668 176.094 -0.159 0.000 1.020 163 V CA -0.805 61.443 62.300 -0.087 0.000 0.850 163 V CB 1.202 33.074 31.823 0.082 0.000 0.987 163 V HN 0.698 nan 8.190 nan 0.000 0.436 164 L N 5.684 126.737 121.223 -0.284 0.000 2.289 164 L HA 0.714 5.027 4.340 -0.044 0.000 0.285 164 L C -0.333 176.418 176.870 -0.198 0.000 1.049 164 L CA -0.247 54.325 54.840 -0.448 0.000 0.804 164 L CB 1.443 42.931 42.059 -0.952 0.000 1.195 164 L HN 0.613 nan 8.230 nan 0.000 0.428 165 M N 2.561 122.135 119.600 -0.043 0.000 2.277 165 M HA 0.630 5.083 4.480 -0.044 0.000 0.282 165 M C -0.757 175.610 176.300 0.112 0.000 1.074 165 M CA -0.132 55.232 55.300 0.107 0.000 0.954 165 M CB 2.173 34.870 32.600 0.163 0.000 1.672 165 M HN 0.451 nan 8.290 nan 0.000 0.471 166 G N 3.096 111.982 108.800 0.143 0.000 2.513 166 G HA2 0.632 4.565 3.960 -0.044 0.000 0.317 166 G HA3 0.632 4.565 3.960 -0.044 0.000 0.317 166 G C -1.010 173.974 174.900 0.139 0.000 1.277 166 G CA -0.559 44.607 45.100 0.111 0.000 0.955 166 G HN 0.922 nan 8.290 nan 0.000 0.484 167 c N 0.644 119.323 118.600 0.132 0.000 2.534 167 c HA 0.693 5.236 4.570 -0.044 0.000 0.385 167 c C 1.040 175.236 174.090 0.177 0.000 1.264 167 c CA -0.328 56.084 56.329 0.138 0.000 2.342 167 c CB 0.832 43.413 42.510 0.118 0.000 2.564 167 c HN 0.670 nan 8.230 nan 0.000 0.603 168 S N -0.127 115.654 115.700 0.135 0.000 2.638 168 S HA 0.778 5.221 4.470 -0.044 0.000 0.298 168 S C 0.667 175.294 174.600 0.046 0.000 1.111 168 S CA 0.381 58.638 58.200 0.095 0.000 1.027 168 S CB 1.561 64.756 63.200 -0.010 0.000 1.064 168 S HN 1.321 nan 8.310 nan 0.000 0.525 169 G N -0.172 108.641 108.800 0.021 0.000 2.407 169 G HA2 0.069 4.003 3.960 -0.044 0.000 0.210 169 G HA3 0.069 4.003 3.960 -0.044 0.000 0.210 169 G C 0.622 175.572 174.900 0.084 0.000 1.015 169 G CA 0.222 45.327 45.100 0.009 0.000 0.807 169 G HN 0.829 nan 8.290 nan 0.000 0.539 170 A N 0.321 123.236 122.820 0.158 0.000 2.024 170 A HA 0.130 4.423 4.320 -0.044 0.000 0.220 170 A C 1.872 179.616 177.584 0.267 0.000 1.164 170 A CA 2.217 54.404 52.037 0.250 0.000 0.643 170 A CB -0.183 19.013 19.000 0.328 0.000 0.806 170 A HN 0.383 nan 8.150 nan 0.000 0.451 171 E N -1.006 119.318 120.200 0.207 0.000 2.472 171 E HA 0.020 4.344 4.350 -0.044 0.000 0.200 171 E C 0.475 177.157 176.600 0.137 0.000 1.046 171 E CA 0.531 57.043 56.400 0.187 0.000 0.871 171 E CB -0.075 29.726 29.700 0.168 0.000 0.806 171 E HN 0.559 nan 8.360 nan 0.000 0.533 172 L N -1.586 119.683 121.223 0.076 0.000 3.168 172 L HA 0.367 4.681 4.340 -0.044 0.000 0.277 172 L C 1.111 178.126 176.870 0.241 0.000 1.245 172 L CA 0.181 55.040 54.840 0.032 0.000 1.035 172 L CB 0.786 42.694 42.059 -0.250 0.000 1.399 172 L HN 0.091 nan 8.230 nan 0.000 0.580 173 G N -0.240 108.777 108.800 0.362 0.000 2.153 173 G HA2 -0.263 3.670 3.960 -0.044 0.000 0.252 173 G HA3 -0.263 3.670 3.960 -0.044 0.000 0.252 173 G C 0.345 175.328 174.900 0.139 0.000 0.994 173 G CA 0.237 45.525 45.100 0.315 0.000 0.698 173 G HN 0.150 nan 8.290 nan 0.000 0.521 174 V N 0.860 120.867 119.914 0.155 0.000 2.529 174 V HA 0.198 4.292 4.120 -0.044 0.000 0.292 174 V C 1.341 177.532 176.094 0.162 0.000 1.028 174 V CA 0.235 62.614 62.300 0.132 0.000 1.074 174 V CB 1.117 33.014 31.823 0.124 0.000 0.958 174 V HN 0.523 nan 8.190 nan 0.000 0.481 175 R N 4.248 124.837 120.500 0.149 0.000 2.288 175 R HA 0.387 4.701 4.340 -0.044 0.000 0.330 175 R C 0.589 177.077 176.300 0.313 0.000 1.069 175 R CA -0.082 56.143 56.100 0.207 0.000 0.941 175 R CB 0.303 30.692 30.300 0.149 0.000 0.998 175 R HN 0.904 nan 8.270 nan 0.000 0.452 176 G N 2.256 111.244 108.800 0.315 0.000 2.594 176 G HA2 0.438 4.372 3.960 -0.044 0.000 0.243 176 G HA3 0.438 4.372 3.960 -0.044 0.000 0.243 176 G C -0.944 174.107 174.900 0.251 0.000 1.229 176 G CA 0.097 45.370 45.100 0.289 0.000 0.843 176 G HN 0.827 nan 8.290 nan 0.000 0.578 177 A N -0.007 122.863 122.820 0.083 0.000 2.594 177 A HA 0.529 4.822 4.320 -0.044 0.000 0.296 177 A C -1.017 176.480 177.584 -0.144 0.000 1.056 177 A CA -0.357 51.590 52.037 -0.151 0.000 0.693 177 A CB 1.479 20.092 19.000 -0.644 0.000 1.278 177 A HN 1.892 nan 8.150 nan 0.000 0.408 178 V N 2.217 122.020 119.914 -0.185 0.000 2.364 178 V HA 0.483 4.577 4.120 -0.044 0.000 0.272 178 V C -0.427 175.533 176.094 -0.224 0.000 1.036 178 V CA -0.434 61.754 62.300 -0.187 0.000 0.880 178 V CB 0.491 32.160 31.823 -0.257 0.000 0.991 178 V HN 0.842 nan 8.190 nan 0.000 0.460 179 N N 5.558 124.093 118.700 -0.275 0.000 2.456 179 N HA 0.740 5.453 4.740 -0.044 0.000 0.288 179 N C -0.568 174.470 175.510 -0.787 0.000 1.059 179 N CA -0.176 52.576 53.050 -0.496 0.000 0.946 179 N CB 1.804 40.127 38.487 -0.273 0.000 1.150 179 N HN 0.890 nan 8.380 nan 0.000 0.479 180 A N 2.003 124.026 122.820 -1.329 0.000 2.318 180 A HA 0.740 5.033 4.320 -0.044 0.000 0.324 180 A C -1.260 175.514 177.584 -1.350 0.000 1.170 180 A CA -0.520 50.676 52.037 -1.402 0.000 0.810 180 A CB 0.173 17.779 19.000 -2.323 0.000 1.198 180 A HN 0.590 nan 8.150 nan 0.000 0.484 181 F N 0.539 120.165 119.950 -0.540 0.000 2.577 181 F HA 0.348 4.843 4.527 -0.054 0.000 0.318 181 F C 0.364 175.923 175.800 -0.402 0.000 1.065 181 F CA -0.739 56.990 58.000 -0.452 0.000 0.929 181 F CB 1.598 40.361 39.000 -0.394 0.000 1.237 181 F HN 0.573 nan 8.300 nan 0.000 0.468 182 D N 2.118 122.375 120.400 -0.238 0.000 2.371 182 D HA 0.014 4.627 4.640 -0.044 0.000 0.256 182 D C 1.009 177.181 176.300 -0.214 0.000 1.193 182 D CA -0.003 53.855 54.000 -0.237 0.000 0.881 182 D CB 1.221 41.864 40.800 -0.261 0.000 1.143 182 D HN 0.580 nan 8.370 nan 0.000 0.473 183 L N 5.578 126.760 121.223 -0.068 0.000 2.127 183 L HA -0.141 4.172 4.340 -0.044 0.000 0.211 183 L C 2.097 179.089 176.870 0.203 0.000 1.089 183 L CA 1.779 56.674 54.840 0.093 0.000 0.757 183 L CB -0.353 41.714 42.059 0.013 0.000 0.899 183 L HN 0.449 nan 8.230 nan 0.000 0.434 184 K N -1.759 118.660 120.400 0.032 0.000 2.211 184 K HA -0.039 4.255 4.320 -0.044 0.000 0.201 184 K C 1.607 178.194 176.600 -0.021 0.000 1.052 184 K CA 1.366 57.691 56.287 0.064 0.000 0.973 184 K CB 0.108 32.600 32.500 -0.013 0.000 0.766 184 K HN 0.545 nan 8.250 nan 0.000 0.466 185 T N -4.779 109.555 114.554 -0.367 0.000 2.959 185 T HA 0.243 4.566 4.350 -0.044 0.000 0.254 185 T C 1.213 175.185 174.700 -1.215 0.000 1.003 185 T CA 0.481 62.247 62.100 -0.558 0.000 0.950 185 T CB 0.838 69.518 68.868 -0.313 0.000 1.090 185 T HN 0.278 nan 8.240 nan 0.000 0.503 186 G N 1.531 109.306 108.800 -1.708 0.000 2.159 186 G HA2 -0.264 3.669 3.960 -0.044 0.000 0.256 186 G HA3 -0.264 3.669 3.960 -0.044 0.000 0.256 186 G C -0.175 174.307 174.900 -0.696 0.000 0.977 186 G CA 0.269 44.178 45.100 -1.985 0.000 0.652 186 G HN 0.866 nan 8.290 nan 0.000 0.531 187 E N 0.004 119.927 120.200 -0.462 0.000 2.360 187 E HA 0.411 4.734 4.350 -0.044 0.000 0.269 187 E C 0.564 177.054 176.600 -0.182 0.000 1.022 187 E CA -0.868 55.390 56.400 -0.237 0.000 0.887 187 E CB 0.383 29.954 29.700 -0.215 0.000 0.990 187 E HN 0.343 nan 8.360 nan 0.000 0.426 188 L N 5.115 126.241 121.223 -0.162 0.000 2.477 188 L HA 0.042 4.356 4.340 -0.044 0.000 0.272 188 L C 0.600 177.236 176.870 -0.391 0.000 1.157 188 L CA 0.767 55.361 54.840 -0.411 0.000 0.889 188 L CB 0.509 42.381 42.059 -0.311 0.000 1.158 188 L HN 0.615 nan 8.230 nan 0.000 0.473 189 K N 5.654 125.711 120.400 -0.572 0.000 2.128 189 K HA 0.168 4.462 4.320 -0.044 0.000 0.202 189 K C -0.642 175.813 176.600 -0.242 0.000 1.050 189 K CA 1.090 57.127 56.287 -0.416 0.000 0.966 189 K CB 0.247 32.405 32.500 -0.571 0.000 0.759 189 K HN 0.791 nan 8.250 nan 0.000 0.454 190 W N 0.334 121.447 121.300 -0.312 0.000 3.002 190 W HA 0.267 4.897 4.660 -0.049 0.000 0.346 190 W C -2.024 174.292 176.519 -0.338 0.000 1.158 190 W CA -1.068 56.122 57.345 -0.259 0.000 1.150 190 W CB 0.269 29.617 29.460 -0.187 0.000 1.446 190 W HN -0.131 nan 8.180 nan 0.000 0.564 191 R N 1.146 121.753 120.500 0.178 0.000 2.604 191 R HA 0.802 5.115 4.340 -0.044 0.000 0.281 191 R C -1.373 174.907 176.300 -0.034 0.000 1.020 191 R CA -0.779 55.295 56.100 -0.043 0.000 0.899 191 R CB 2.087 32.155 30.300 -0.386 0.000 1.205 191 R HN 0.697 nan 8.270 nan 0.000 0.450 192 A N 4.185 126.976 122.820 -0.047 0.000 2.277 192 A HA 0.553 4.846 4.320 -0.044 0.000 0.318 192 A C -0.908 176.538 177.584 -0.230 0.000 1.339 192 A CA -0.710 51.240 52.037 -0.145 0.000 0.875 192 A CB 0.061 18.952 19.000 -0.182 0.000 1.158 192 A HN 0.587 nan 8.150 nan 0.000 0.514 193 F N 1.346 121.278 119.950 -0.031 0.000 2.406 193 F HA 0.378 4.880 4.527 -0.042 0.000 0.327 193 F C 1.577 177.399 175.800 0.036 0.000 1.153 193 F CA 0.809 58.825 58.000 0.026 0.000 1.218 193 F CB 1.232 40.266 39.000 0.056 0.000 1.215 193 F HN 0.618 nan 8.300 nan 0.000 0.570 194 A N 0.303 123.345 122.820 0.371 0.000 2.195 194 A HA 0.197 4.491 4.320 -0.044 0.000 0.210 194 A C 0.662 178.550 177.584 0.508 0.000 1.165 194 A CA 1.011 53.311 52.037 0.439 0.000 0.806 194 A CB -0.562 18.717 19.000 0.465 0.000 0.847 194 A HN 0.724 nan 8.150 nan 0.000 0.482 195 T N -5.214 109.567 114.554 0.379 0.000 2.841 195 T HA 0.662 4.985 4.350 -0.044 0.000 0.296 195 T C 0.130 174.826 174.700 -0.007 0.000 1.166 195 T CA 0.132 62.382 62.100 0.249 0.000 1.007 195 T CB 1.402 70.360 68.868 0.149 0.000 1.253 195 T HN 1.962 nan 8.240 nan 0.000 0.511 196 G N 1.203 109.758 108.800 -0.410 0.000 2.447 196 G HA2 0.246 4.179 3.960 -0.044 0.000 0.220 196 G HA3 0.246 4.179 3.960 -0.044 0.000 0.220 196 G C -0.033 174.513 174.900 -0.591 0.000 1.261 196 G CA 0.022 44.490 45.100 -1.054 0.000 1.000 196 G HN 2.131 nan 8.290 nan 0.000 0.515 197 S N 0.051 115.431 115.700 -0.533 0.000 2.576 197 S HA 0.326 4.769 4.470 -0.044 0.000 0.272 197 S C 1.002 175.544 174.600 -0.097 0.000 1.352 197 S CA 0.951 59.001 58.200 -0.249 0.000 1.021 197 S CB 1.108 64.195 63.200 -0.188 0.000 0.887 197 S HN 0.588 nan 8.310 nan 0.000 0.542 198 D N 1.071 121.458 120.400 -0.022 0.000 2.144 198 D HA -0.107 4.506 4.640 -0.044 0.000 0.199 198 D C 1.345 177.626 176.300 -0.031 0.000 0.984 198 D CA 1.307 55.321 54.000 0.023 0.000 0.834 198 D CB -0.397 40.463 40.800 0.100 0.000 0.955 198 D HN 0.631 nan 8.370 nan 0.000 0.465 199 D N 0.390 120.764 120.400 -0.043 0.000 2.117 199 D HA -0.125 4.488 4.640 -0.044 0.000 0.197 199 D C 2.234 178.523 176.300 -0.018 0.000 0.987 199 D CA 1.501 55.475 54.000 -0.044 0.000 0.829 199 D CB -0.216 40.560 40.800 -0.040 0.000 0.961 199 D HN 0.247 nan 8.370 nan 0.000 0.460 200 S N 0.124 115.825 115.700 0.003 0.000 2.406 200 S HA -0.073 4.371 4.470 -0.044 0.000 0.228 200 S C 2.147 176.846 174.600 0.164 0.000 1.020 200 S CA 0.597 58.868 58.200 0.118 0.000 0.965 200 S CB -0.415 62.801 63.200 0.026 0.000 0.798 200 S HN 0.072 nan 8.310 nan 0.000 0.488 201 V N 1.365 121.304 119.914 0.042 0.000 2.871 201 V HA 0.181 4.275 4.120 -0.044 0.000 0.256 201 V C 0.726 176.701 176.094 -0.199 0.000 1.082 201 V CA 0.545 62.826 62.300 -0.031 0.000 1.105 201 V CB -1.326 30.499 31.823 0.003 0.000 0.713 201 V HN 0.552 nan 8.190 nan 0.000 0.473 202 R N 0.111 120.508 120.500 -0.172 0.000 2.855 202 R HA -0.141 4.173 4.340 -0.044 0.000 0.288 202 R C -0.929 175.183 176.300 -0.313 0.000 0.942 202 R CA 0.110 56.063 56.100 -0.245 0.000 0.705 202 R CB -1.658 28.445 30.300 -0.328 0.000 1.791 202 R HN 0.384 nan 8.270 nan 0.000 0.478 203 L N 1.532 122.603 121.223 -0.254 0.000 2.296 203 L HA 0.633 4.947 4.340 -0.044 0.000 0.286 203 L C 1.086 177.930 176.870 -0.043 0.000 1.023 203 L CA -0.736 53.919 54.840 -0.308 0.000 0.812 203 L CB 1.750 43.557 42.059 -0.420 0.000 1.223 203 L HN 0.474 nan 8.230 nan 0.000 0.421 204 A N 2.855 125.682 122.820 0.012 0.000 2.386 204 A HA 0.102 4.396 4.320 -0.044 0.000 0.246 204 A C 1.261 178.992 177.584 0.244 0.000 1.089 204 A CA -0.074 52.013 52.037 0.084 0.000 0.790 204 A CB 0.287 19.333 19.000 0.076 0.000 1.042 204 A HN 0.926 nan 8.150 nan 0.000 0.497 205 K N -0.238 120.256 120.400 0.157 0.000 2.209 205 K HA -0.168 4.126 4.320 -0.044 0.000 0.204 205 K C 0.218 177.014 176.600 0.327 0.000 1.048 205 K CA 1.822 58.217 56.287 0.181 0.000 0.940 205 K CB -0.044 32.489 32.500 0.055 0.000 0.729 205 K HN 0.848 nan 8.250 nan 0.000 0.451 206 D N -0.377 120.169 120.400 0.243 0.000 2.491 206 D HA -0.064 4.549 4.640 -0.044 0.000 0.228 206 D C -0.117 176.291 176.300 0.180 0.000 1.183 206 D CA -0.634 53.483 54.000 0.194 0.000 0.827 206 D CB -0.795 40.068 40.800 0.105 0.000 0.989 206 D HN 0.019 nan 8.370 nan 0.000 0.494 207 F N 2.563 122.553 119.950 0.067 0.000 2.593 207 F HA 0.069 4.570 4.527 -0.044 0.000 0.393 207 F C 0.741 176.455 175.800 -0.143 0.000 1.037 207 F CA 0.000 57.952 58.000 -0.080 0.000 1.195 207 F CB 0.023 38.901 39.000 -0.203 0.000 1.034 207 F HN -0.051 nan 8.300 nan 0.000 0.552 208 N N 2.346 120.672 118.700 -0.624 0.000 2.708 208 N HA -0.271 4.443 4.740 -0.044 0.000 0.249 208 N C 1.384 176.699 175.510 -0.326 0.000 1.097 208 N CA 1.111 53.821 53.050 -0.567 0.000 0.710 208 N CB -1.384 36.604 38.487 -0.831 0.000 1.032 208 N HN 0.733 nan 8.380 nan 0.000 0.551 209 S N -1.498 114.097 115.700 -0.175 0.000 2.399 209 S HA -0.043 4.400 4.470 -0.044 0.000 0.231 209 S C 1.938 176.458 174.600 -0.135 0.000 1.022 209 S CA 0.959 59.097 58.200 -0.102 0.000 0.983 209 S CB -0.108 63.074 63.200 -0.029 0.000 0.803 209 S HN 0.512 nan 8.310 nan 0.000 0.480 210 A N 1.786 124.498 122.820 -0.180 0.000 2.067 210 A HA 0.194 4.487 4.320 -0.044 0.000 0.217 210 A C 0.969 178.384 177.584 -0.282 0.000 1.156 210 A CA 0.429 52.344 52.037 -0.203 0.000 0.683 210 A CB -0.128 18.743 19.000 -0.215 0.000 0.808 210 A HN 0.570 nan 8.150 nan 0.000 0.455 211 N N -0.798 117.648 118.700 -0.422 0.000 2.726 211 N HA 0.184 4.898 4.740 -0.044 0.000 0.253 211 N C -2.652 172.542 175.510 -0.527 0.000 1.530 211 N CA -0.816 51.856 53.050 -0.630 0.000 0.772 211 N CB 1.258 38.763 38.487 -1.637 0.000 1.220 211 N HN 0.002 nan 8.380 nan 0.000 0.508 212 P HA -0.158 nan 4.420 nan 0.000 0.221 212 P C 1.347 178.627 177.300 -0.034 0.000 1.145 212 P CA 1.214 64.249 63.100 -0.108 0.000 0.795 212 P CB -0.018 31.663 31.700 -0.031 0.000 0.775 213 H N -2.790 116.221 119.070 -0.099 0.000 2.546 213 H HA -0.040 4.490 4.556 -0.044 0.000 0.277 213 H C 1.462 176.882 175.328 0.155 0.000 1.004 213 H CA 0.698 56.752 56.048 0.009 0.000 1.231 213 H CB -1.359 28.404 29.762 0.002 0.000 1.382 213 H HN 0.331 nan 8.280 nan 0.000 0.580 214 Y N 1.667 121.721 120.300 -0.410 0.000 2.439 214 Y HA 0.116 4.639 4.550 -0.045 0.000 0.292 214 Y C 1.292 177.183 175.900 -0.016 0.000 1.130 214 Y CA 0.100 58.062 58.100 -0.230 0.000 1.254 214 Y CB 0.485 38.820 38.460 -0.207 0.000 1.000 214 Y HN 0.506 nan 8.280 nan 0.000 0.554 215 G N 0.343 109.237 108.800 0.155 0.000 2.674 215 G HA2 -0.130 3.804 3.960 -0.044 0.000 0.686 215 G HA3 -0.130 3.804 3.960 -0.044 0.000 0.686 215 G C -0.851 174.208 174.900 0.265 0.000 1.195 215 G CA -0.463 44.753 45.100 0.194 0.000 0.776 215 G HN 0.226 nan 8.290 nan 0.000 0.654 216 Q N -0.601 119.319 119.800 0.200 0.000 1.981 216 Q HA 0.550 4.864 4.340 -0.044 0.000 0.157 216 Q C 0.020 176.040 176.000 0.033 0.000 0.503 216 Q CA -0.175 55.629 55.803 0.001 0.000 0.695 216 Q CB 0.658 29.192 28.738 -0.340 0.000 1.038 216 Q HN 0.499 nan 8.270 nan 0.000 0.388 217 F N -0.242 119.910 119.950 0.337 0.000 2.399 217 F HA 0.496 4.996 4.527 -0.046 0.000 0.328 217 F C 1.234 177.150 175.800 0.193 0.000 1.084 217 F CA 0.263 58.409 58.000 0.243 0.000 1.053 217 F CB 1.304 40.391 39.000 0.146 0.000 1.209 217 F HN 0.594 nan 8.300 nan 0.000 0.502 218 G N 0.883 109.898 108.800 0.358 0.000 2.212 218 G HA2 -0.304 3.629 3.960 -0.044 0.000 0.266 218 G HA3 -0.304 3.629 3.960 -0.044 0.000 0.266 218 G C 0.899 175.892 174.900 0.154 0.000 0.978 218 G CA 0.530 45.750 45.100 0.200 0.000 0.632 218 G HN 0.618 nan 8.290 nan 0.000 0.537 219 L N 0.769 122.116 121.223 0.206 0.000 2.376 219 L HA 0.177 4.490 4.340 -0.044 0.000 0.219 219 L C 2.884 179.775 176.870 0.035 0.000 1.133 219 L CA 0.986 55.861 54.840 0.059 0.000 0.816 219 L CB -0.474 41.534 42.059 -0.085 0.000 0.933 219 L HN 0.312 nan 8.230 nan 0.000 0.449 220 G N -0.229 108.668 108.800 0.162 0.000 2.498 220 G HA2 -0.204 3.729 3.960 -0.044 0.000 0.219 220 G HA3 -0.204 3.729 3.960 -0.044 0.000 0.219 220 G C 1.536 176.413 174.900 -0.038 0.000 1.119 220 G CA 1.425 46.613 45.100 0.148 0.000 0.766 220 G HN 0.481 nan 8.290 nan 0.000 0.552 221 T N -3.096 111.423 114.554 -0.059 0.000 3.028 221 T HA 0.210 4.533 4.350 -0.044 0.000 0.250 221 T C 1.967 176.763 174.700 0.160 0.000 0.979 221 T CA 0.146 62.169 62.100 -0.129 0.000 1.004 221 T CB -0.007 68.675 68.868 -0.310 0.000 1.120 221 T HN 0.155 nan 8.240 nan 0.000 0.482 222 K N 1.959 122.422 120.400 0.106 0.000 2.209 222 K HA -0.027 4.266 4.320 -0.044 0.000 0.204 222 K C 1.810 178.460 176.600 0.084 0.000 1.048 222 K CA 1.704 58.049 56.287 0.096 0.000 0.940 222 K CB -0.290 32.245 32.500 0.058 0.000 0.729 222 K HN 0.627 nan 8.250 nan 0.000 0.451 223 T N -2.138 112.457 114.554 0.069 0.000 3.278 223 T HA 0.111 4.434 4.350 -0.044 0.000 0.251 223 T C -0.375 174.203 174.700 -0.204 0.000 1.039 223 T CA -0.577 61.461 62.100 -0.104 0.000 0.935 223 T CB -0.325 68.385 68.868 -0.263 0.000 1.034 223 T HN 0.084 nan 8.240 nan 0.000 0.575 224 W N 0.271 121.605 121.300 0.055 0.000 3.031 224 W HA 0.562 5.196 4.660 -0.044 0.000 0.337 224 W C -0.480 176.110 176.519 0.119 0.000 1.187 224 W CA -1.115 56.304 57.345 0.124 0.000 1.166 224 W CB 1.493 31.104 29.460 0.251 0.000 1.437 224 W HN 0.009 nan 8.180 nan 0.000 0.551 225 E N 1.441 121.863 120.200 0.370 0.000 2.109 225 E HA 0.478 4.802 4.350 -0.044 0.000 0.278 225 E C 0.780 177.520 176.600 0.233 0.000 0.954 225 E CA 0.529 57.068 56.400 0.231 0.000 0.779 225 E CB 0.586 30.377 29.700 0.151 0.000 1.093 225 E HN 0.648 nan 8.360 nan 0.000 0.401 226 G N 4.840 113.762 108.800 0.202 0.000 2.566 226 G HA2 -0.310 3.623 3.960 -0.044 0.000 0.280 226 G HA3 -0.310 3.623 3.960 -0.044 0.000 0.280 226 G C 0.181 175.174 174.900 0.154 0.000 1.225 226 G CA 0.193 45.384 45.100 0.151 0.000 0.966 226 G HN 0.710 nan 8.290 nan 0.000 0.560 227 D N 1.492 121.849 120.400 -0.071 0.000 2.370 227 D HA 0.412 5.025 4.640 -0.044 0.000 0.230 227 D C 2.129 178.007 176.300 -0.704 0.000 1.143 227 D CA 0.984 54.677 54.000 -0.512 0.000 0.834 227 D CB -0.217 40.289 40.800 -0.489 0.000 0.944 227 D HN 0.774 nan 8.370 nan 0.000 0.504 228 A N 1.024 123.686 122.820 -0.264 0.000 2.076 228 A HA -0.154 4.140 4.320 -0.044 0.000 0.220 228 A C 1.955 179.256 177.584 -0.471 0.000 1.160 228 A CA 0.630 52.578 52.037 -0.149 0.000 0.653 228 A CB -0.961 18.202 19.000 0.273 0.000 0.801 228 A HN 0.560 nan 8.150 nan 0.000 0.455 229 W N 0.118 120.976 121.300 -0.736 0.000 2.465 229 W HA -0.053 4.580 4.660 -0.045 0.000 0.268 229 W C 1.095 177.181 176.519 -0.722 0.000 1.242 229 W CA 0.931 57.417 57.345 -1.432 0.000 1.248 229 W CB -0.667 27.920 29.460 -1.454 0.000 1.118 229 W HN 0.271 nan 8.180 nan 0.000 0.587 230 K N 1.660 121.362 120.400 -1.162 0.000 2.209 230 K HA -0.101 4.192 4.320 -0.044 0.000 0.204 230 K C 1.573 177.865 176.600 -0.514 0.000 1.048 230 K CA 1.770 57.514 56.287 -0.905 0.000 0.940 230 K CB -0.256 31.625 32.500 -1.032 0.000 0.729 230 K HN 0.398 nan 8.250 nan 0.000 0.451 231 I N -4.014 116.252 120.570 -0.507 0.000 3.326 231 I HA 0.321 4.464 4.170 -0.044 0.000 0.336 231 I C 0.696 176.743 176.117 -0.118 0.000 1.543 231 I CA -0.478 60.576 61.300 -0.409 0.000 1.013 231 I CB 0.830 38.305 38.000 -0.875 0.000 1.468 231 I HN -0.162 nan 8.210 nan 0.000 0.515 232 G N 0.742 109.454 108.800 -0.146 0.000 3.181 232 G HA2 0.473 4.406 3.960 -0.044 0.000 0.219 232 G HA3 0.473 4.406 3.960 -0.044 0.000 0.219 232 G C 0.891 175.985 174.900 0.323 0.000 1.182 232 G CA 0.357 45.482 45.100 0.043 0.000 0.791 232 G HN 0.826 nan 8.290 nan 0.000 0.537 233 G N -0.216 108.740 108.800 0.260 0.000 2.539 233 G HA2 0.274 4.208 3.960 -0.044 0.000 0.256 233 G HA3 0.274 4.208 3.960 -0.044 0.000 0.256 233 G C 1.072 176.179 174.900 0.345 0.000 1.233 233 G CA 0.943 46.232 45.100 0.315 0.000 0.936 233 G HN 1.907 nan 8.290 nan 0.000 0.571 234 G N -2.378 106.646 108.800 0.374 0.000 2.141 234 G HA2 0.164 4.098 3.960 -0.044 0.000 0.242 234 G HA3 0.164 4.098 3.960 -0.044 0.000 0.242 234 G C 0.941 176.067 174.900 0.378 0.000 0.982 234 G CA 1.454 46.789 45.100 0.393 0.000 0.662 234 G HN 2.778 nan 8.290 nan 0.000 0.527 235 T N 0.101 114.881 114.554 0.377 0.000 2.940 235 T HA 0.406 4.729 4.350 -0.044 0.000 0.309 235 T C 0.319 175.256 174.700 0.394 0.000 1.056 235 T CA 0.271 62.598 62.100 0.377 0.000 1.137 235 T CB 1.209 70.321 68.868 0.405 0.000 0.976 235 T HN 0.899 nan 8.240 nan 0.000 0.547 236 N N 3.304 122.175 118.700 0.284 0.000 2.511 236 N HA 0.134 4.848 4.740 -0.044 0.000 0.249 236 N C -0.050 175.504 175.510 0.074 0.000 0.971 236 N CA -1.059 52.063 53.050 0.121 0.000 0.938 236 N CB 1.033 39.612 38.487 0.153 0.000 1.131 236 N HN 1.049 nan 8.380 nan 0.000 0.505 237 W N 1.862 123.168 121.300 0.010 0.000 2.653 237 W HA 0.454 5.087 4.660 -0.045 0.000 0.391 237 W C -0.270 176.138 176.519 -0.185 0.000 0.962 237 W CA -0.736 56.578 57.345 -0.052 0.000 1.900 237 W CB -0.583 28.888 29.460 0.019 0.000 1.176 237 W HN 0.385 nan 8.180 nan 0.000 0.582 238 G N 1.485 109.908 108.800 -0.628 0.000 3.411 238 G HA2 0.424 4.358 3.960 -0.044 0.000 0.186 238 G HA3 0.424 4.358 3.960 -0.044 0.000 0.186 238 G C -1.408 172.985 174.900 -0.846 0.000 1.766 238 G CA -0.207 44.446 45.100 -0.744 0.000 0.971 238 G HN 0.118 nan 8.290 nan 0.000 0.590 239 W N -1.902 119.311 121.300 -0.145 0.000 2.902 239 W HA 0.722 5.354 4.660 -0.046 0.000 0.346 239 W C -1.250 175.165 176.519 -0.174 0.000 1.139 239 W CA -0.883 56.435 57.345 -0.044 0.000 1.139 239 W CB 1.108 30.632 29.460 0.107 0.000 1.439 239 W HN 0.327 nan 8.180 nan 0.000 0.558 240 Y N 0.581 121.009 120.300 0.214 0.000 2.650 240 Y HA 0.848 5.376 4.550 -0.038 0.000 0.331 240 Y C 0.317 176.163 175.900 -0.091 0.000 1.082 240 Y CA -1.492 56.539 58.100 -0.115 0.000 1.171 240 Y CB 1.779 39.735 38.460 -0.839 0.000 1.326 240 Y HN 0.479 nan 8.280 nan 0.000 0.513 241 A N 0.593 123.527 122.820 0.189 0.000 2.587 241 A HA 0.735 5.028 4.320 -0.044 0.000 0.293 241 A C -2.528 175.435 177.584 0.630 0.000 1.087 241 A CA -0.651 51.642 52.037 0.427 0.000 0.692 241 A CB 1.648 20.877 19.000 0.381 0.000 1.291 241 A HN 0.653 nan 8.150 nan 0.000 0.407 242 Y N 0.942 121.625 120.300 0.639 0.000 2.479 242 Y HA 0.563 5.089 4.550 -0.041 0.000 0.338 242 Y C -1.708 174.518 175.900 0.544 0.000 1.055 242 Y CA -1.128 57.320 58.100 0.580 0.000 1.023 242 Y CB 2.011 40.846 38.460 0.626 0.000 1.287 242 Y HN 0.659 nan 8.280 nan 0.000 0.447 243 D N 7.951 128.262 120.400 -0.149 0.000 2.460 243 D HA 0.368 4.982 4.640 -0.044 0.000 0.232 243 D C -2.280 173.621 176.300 -0.665 0.000 1.079 243 D CA -2.389 51.531 54.000 -0.134 0.000 0.864 243 D CB 2.380 43.239 40.800 0.099 0.000 1.048 243 D HN 0.329 nan 8.370 nan 0.000 0.523 244 P HA -0.150 nan 4.420 nan 0.000 0.216 244 P C 1.277 178.474 177.300 -0.172 0.000 1.153 244 P CA 1.245 64.047 63.100 -0.497 0.000 0.858 244 P CB 0.413 31.977 31.700 -0.226 0.000 0.789 245 K N -0.172 120.184 120.400 -0.074 0.000 2.057 245 K HA -0.080 4.213 4.320 -0.044 0.000 0.206 245 K C 1.804 178.404 176.600 -0.000 0.000 1.050 245 K CA 1.189 57.473 56.287 -0.005 0.000 0.935 245 K CB -0.470 32.051 32.500 0.036 0.000 0.715 245 K HN 0.094 nan 8.250 nan 0.000 0.439 246 L N 0.255 121.474 121.223 -0.008 0.000 2.418 246 L HA 0.026 4.339 4.340 -0.044 0.000 0.218 246 L C 0.516 177.392 176.870 0.010 0.000 1.125 246 L CA 0.082 54.934 54.840 0.021 0.000 0.835 246 L CB -0.399 41.700 42.059 0.067 0.000 0.953 246 L HN 0.353 nan 8.230 nan 0.000 0.454 247 N N 0.648 119.331 118.700 -0.028 0.000 2.735 247 N HA -0.208 4.505 4.740 -0.044 0.000 0.248 247 N C -0.803 174.802 175.510 0.158 0.000 1.083 247 N CA 0.566 53.680 53.050 0.107 0.000 0.703 247 N CB -1.184 37.382 38.487 0.131 0.000 1.005 247 N HN 0.269 nan 8.380 nan 0.000 0.550 248 L N 0.859 122.098 121.223 0.027 0.000 2.346 248 L HA 0.629 4.942 4.340 -0.044 0.000 0.276 248 L C 0.245 177.047 176.870 -0.114 0.000 1.006 248 L CA -1.248 53.496 54.840 -0.160 0.000 0.817 248 L CB 1.011 42.839 42.059 -0.385 0.000 1.272 248 L HN 0.165 nan 8.230 nan 0.000 0.421 249 F N 0.795 120.622 119.950 -0.205 0.000 2.507 249 F HA 0.778 5.279 4.527 -0.043 0.000 0.327 249 F C -1.291 174.300 175.800 -0.348 0.000 1.068 249 F CA -1.060 56.919 58.000 -0.035 0.000 0.965 249 F CB 0.946 40.020 39.000 0.123 0.000 1.192 249 F HN 0.157 nan 8.300 nan 0.000 0.476 250 Y N 1.584 122.097 120.300 0.356 0.000 2.512 250 Y HA 0.673 5.198 4.550 -0.042 0.000 0.348 250 Y C -0.770 175.358 175.900 0.380 0.000 0.990 250 Y CA -1.391 56.812 58.100 0.172 0.000 1.033 250 Y CB 1.867 40.356 38.460 0.050 0.000 1.259 250 Y HN 0.804 nan 8.280 nan 0.000 0.461 251 Y N -1.562 118.865 120.300 0.211 0.000 2.774 251 Y HA 0.804 5.328 4.550 -0.042 0.000 0.346 251 Y C -1.096 174.857 175.900 0.089 0.000 1.222 251 Y CA -1.901 56.239 58.100 0.066 0.000 1.088 251 Y CB 0.982 39.415 38.460 -0.044 0.000 1.354 251 Y HN 0.792 nan 8.280 nan 0.000 0.455 252 G N 1.057 109.810 108.800 -0.079 0.000 2.461 252 G HA2 0.533 4.467 3.960 -0.044 0.000 0.323 252 G HA3 0.533 4.467 3.960 -0.044 0.000 0.323 252 G C -1.166 173.802 174.900 0.115 0.000 1.229 252 G CA -0.710 44.321 45.100 -0.115 0.000 0.941 252 G HN 1.002 nan 8.290 nan 0.000 0.477 253 S N 1.151 116.992 115.700 0.234 0.000 2.586 253 S HA 0.721 5.164 4.470 -0.044 0.000 0.274 253 S C 0.939 175.697 174.600 0.264 0.000 1.281 253 S CA -0.112 58.318 58.200 0.384 0.000 1.035 253 S CB 1.697 65.270 63.200 0.622 0.000 0.962 253 S HN 0.941 nan 8.310 nan 0.000 0.512 254 G N 1.508 110.485 108.800 0.296 0.000 2.516 254 G HA2 0.250 4.183 3.960 -0.044 0.000 0.276 254 G HA3 0.250 4.183 3.960 -0.044 0.000 0.276 254 G C 0.137 175.231 174.900 0.323 0.000 1.390 254 G CA -0.911 44.384 45.100 0.324 0.000 1.050 254 G HN 0.941 nan 8.290 nan 0.000 0.519 255 N N 0.885 119.790 118.700 0.341 0.000 2.482 255 N HA 0.212 4.925 4.740 -0.044 0.000 0.260 255 N C -2.671 173.008 175.510 0.281 0.000 1.236 255 N CA -1.040 52.166 53.050 0.260 0.000 0.938 255 N CB 1.383 39.989 38.487 0.198 0.000 1.128 255 N HN 0.186 nan 8.380 nan 0.000 0.448 256 P HA 0.251 nan 4.420 nan 0.000 0.276 256 P C -1.151 176.329 177.300 0.300 0.000 1.244 256 P CA -0.451 62.844 63.100 0.326 0.000 0.801 256 P CB 1.003 32.832 31.700 0.215 0.000 1.006 257 A N 2.750 125.795 122.820 0.375 0.000 2.355 257 A HA 0.768 5.061 4.320 -0.044 0.000 0.324 257 A C -2.406 175.339 177.584 0.268 0.000 1.117 257 A CA -1.964 50.261 52.037 0.314 0.000 0.785 257 A CB 0.908 20.149 19.000 0.402 0.000 1.254 257 A HN 0.400 nan 8.150 nan 0.000 0.453 258 P HA 0.165 nan 4.420 nan 0.000 0.302 258 P C -0.003 177.334 177.300 0.062 0.000 1.307 258 P CA -0.341 62.548 63.100 -0.352 0.000 0.754 258 P CB 0.513 31.512 31.700 -1.168 0.000 1.298 259 W N -1.172 119.997 121.300 -0.218 0.000 2.467 259 W HA 0.026 4.659 4.660 -0.045 0.000 0.275 259 W C 1.169 177.704 176.519 0.026 0.000 1.239 259 W CA 0.532 57.870 57.345 -0.012 0.000 1.266 259 W CB -1.671 27.747 29.460 -0.070 0.000 1.112 259 W HN 0.267 nan 8.180 nan 0.000 0.576 260 N N 2.112 120.846 118.700 0.057 0.000 2.406 260 N HA -0.073 4.641 4.740 -0.044 0.000 0.274 260 N C 1.179 176.687 175.510 -0.004 0.000 1.249 260 N CA 0.589 53.643 53.050 0.007 0.000 0.951 260 N CB 0.683 39.086 38.487 -0.141 0.000 1.241 260 N HN 0.303 nan 8.380 nan 0.000 0.485 261 E N 1.773 121.959 120.200 -0.023 0.000 2.204 261 E HA -0.135 4.188 4.350 -0.044 0.000 0.195 261 E C 0.994 177.622 176.600 0.047 0.000 0.990 261 E CA 1.616 57.941 56.400 -0.124 0.000 0.821 261 E CB -0.497 29.032 29.700 -0.285 0.000 0.750 261 E HN 0.465 nan 8.360 nan 0.000 0.477 262 T N 0.417 115.004 114.554 0.055 0.000 2.962 262 T HA 0.005 4.328 4.350 -0.044 0.000 0.270 262 T C 1.476 176.221 174.700 0.074 0.000 1.088 262 T CA 1.321 63.462 62.100 0.069 0.000 1.127 262 T CB -0.193 68.711 68.868 0.060 0.000 0.883 262 T HN 0.199 nan 8.240 nan 0.000 0.493 263 M N 1.154 120.795 119.600 0.069 0.000 2.618 263 M HA 0.123 4.577 4.480 -0.044 0.000 0.240 263 M C 0.586 176.970 176.300 0.141 0.000 1.123 263 M CA 0.578 55.935 55.300 0.096 0.000 1.060 263 M CB 0.230 32.879 32.600 0.081 0.000 1.535 263 M HN 0.180 nan 8.290 nan 0.000 0.507 264 R N -0.166 120.417 120.500 0.138 0.000 2.684 264 R HA 0.354 4.667 4.340 -0.044 0.000 0.252 264 R C -3.073 173.306 176.300 0.133 0.000 1.628 264 R CA -1.405 54.797 56.100 0.169 0.000 1.622 264 R CB -0.383 30.034 30.300 0.195 0.000 1.418 264 R HN -0.122 nan 8.270 nan 0.000 0.697 265 P HA 0.234 nan 4.420 nan 0.000 0.267 265 P C 0.278 177.497 177.300 -0.135 0.000 1.200 265 P CA 0.980 64.046 63.100 -0.058 0.000 0.772 265 P CB 1.184 32.850 31.700 -0.057 0.000 0.855 266 G N 2.244 110.870 108.800 -0.290 0.000 2.459 266 G HA2 -0.125 3.808 3.960 -0.044 0.000 0.685 266 G HA3 -0.125 3.808 3.960 -0.044 0.000 0.685 266 G C 0.063 174.794 174.900 -0.281 0.000 1.303 266 G CA -0.460 44.472 45.100 -0.280 0.000 0.907 266 G HN 0.343 nan 8.290 nan 0.000 0.632 267 D N 0.620 120.838 120.400 -0.304 0.000 2.309 267 D HA -0.022 4.591 4.640 -0.044 0.000 0.212 267 D C 1.478 177.534 176.300 -0.407 0.000 0.968 267 D CA 1.275 55.104 54.000 -0.285 0.000 0.882 267 D CB -0.091 40.531 40.800 -0.297 0.000 0.918 267 D HN 0.593 nan 8.370 nan 0.000 0.503 268 N N 0.520 118.779 118.700 -0.736 0.000 2.740 268 N HA -0.201 4.512 4.740 -0.044 0.000 0.248 268 N C -0.463 174.863 175.510 -0.306 0.000 1.062 268 N CA 0.617 52.974 53.050 -1.155 0.000 0.704 268 N CB -1.369 36.526 38.487 -0.987 0.000 0.968 268 N HN 0.395 nan 8.380 nan 0.000 0.547 269 K N -0.689 119.536 120.400 -0.292 0.000 2.295 269 K HA 0.082 4.375 4.320 -0.044 0.000 0.270 269 K C 0.281 176.994 176.600 0.187 0.000 1.011 269 K CA 0.093 56.170 56.287 -0.350 0.000 0.953 269 K CB 0.392 32.132 32.500 -1.267 0.000 0.956 269 K HN 0.201 nan 8.250 nan 0.000 0.477 270 W N 2.311 123.849 121.300 0.397 0.000 2.102 270 W HA 0.089 4.723 4.660 -0.042 0.000 0.357 270 W C 0.354 177.063 176.519 0.316 0.000 0.717 270 W CA -0.519 56.998 57.345 0.288 0.000 2.518 270 W CB 0.092 29.785 29.460 0.387 0.000 2.010 270 W HN 0.532 nan 8.180 nan 0.000 0.672 271 T N -2.526 112.269 114.554 0.402 0.000 2.788 271 T HA 0.218 4.541 4.350 -0.044 0.000 0.287 271 T C 1.117 175.935 174.700 0.196 0.000 1.007 271 T CA -0.320 61.991 62.100 0.351 0.000 1.005 271 T CB 0.794 69.860 68.868 0.330 0.000 1.012 271 T HN 0.168 nan 8.240 nan 0.000 0.530 272 M N -0.631 119.076 119.600 0.178 0.000 2.393 272 M HA -0.145 4.308 4.480 -0.044 0.000 0.201 272 M C -0.099 176.162 176.300 -0.066 0.000 0.403 272 M CA 0.691 56.038 55.300 0.078 0.000 0.471 272 M CB -3.291 29.349 32.600 0.067 0.000 1.669 272 M HN 0.900 nan 8.290 nan 0.000 0.864 273 T N 0.654 115.156 114.554 -0.086 0.000 2.829 273 T HA 0.755 5.078 4.350 -0.044 0.000 0.280 273 T C 0.622 174.973 174.700 -0.582 0.000 0.999 273 T CA -0.617 61.244 62.100 -0.399 0.000 0.983 273 T CB 2.133 70.647 68.868 -0.591 0.000 0.968 273 T HN 0.257 nan 8.240 nan 0.000 0.446 274 I N 2.790 123.040 120.570 -0.534 0.000 2.342 274 I HA 0.338 4.481 4.170 -0.044 0.000 0.291 274 I C -0.690 175.081 176.117 -0.576 0.000 1.010 274 I CA -0.479 60.574 61.300 -0.413 0.000 1.308 274 I CB 0.712 38.635 38.000 -0.128 0.000 1.400 274 I HN 0.537 nan 8.210 nan 0.000 0.488 275 W N 3.961 124.887 121.300 -0.624 0.000 2.639 275 W HA 0.653 5.288 4.660 -0.040 0.000 0.347 275 W C 0.330 176.180 176.519 -1.116 0.000 1.067 275 W CA -0.816 56.021 57.345 -0.847 0.000 1.218 275 W CB 1.805 30.731 29.460 -0.890 0.000 1.393 275 W HN 0.443 nan 8.180 nan 0.000 0.557 276 G N 2.237 110.298 108.800 -1.232 0.000 2.814 276 G HA2 0.646 4.580 3.960 -0.044 0.000 0.300 276 G HA3 0.646 4.580 3.960 -0.044 0.000 0.300 276 G C -0.995 173.360 174.900 -0.908 0.000 1.406 276 G CA -0.843 43.408 45.100 -1.416 0.000 1.041 276 G HN 0.390 nan 8.290 nan 0.000 0.532 277 R N 1.265 121.188 120.500 -0.961 0.000 2.637 277 R HA 0.313 4.626 4.340 -0.044 0.000 0.291 277 R C -1.013 174.915 176.300 -0.621 0.000 0.963 277 R CA -0.901 54.714 56.100 -0.809 0.000 0.901 277 R CB 2.393 32.078 30.300 -1.026 0.000 1.160 277 R HN 0.599 nan 8.270 nan 0.000 0.457 278 D N 1.565 121.773 120.400 -0.320 0.000 2.425 278 D HA -0.047 4.566 4.640 -0.044 0.000 0.247 278 D C 0.991 177.344 176.300 0.090 0.000 1.147 278 D CA -0.242 53.695 54.000 -0.105 0.000 0.879 278 D CB 0.917 41.659 40.800 -0.098 0.000 1.179 278 D HN 0.324 nan 8.370 nan 0.000 0.456 279 L N 3.895 125.299 121.223 0.302 0.000 2.083 279 L HA -0.101 4.213 4.340 -0.044 0.000 0.209 279 L C 1.315 178.401 176.870 0.361 0.000 1.083 279 L CA 1.814 56.932 54.840 0.463 0.000 0.752 279 L CB -0.350 41.909 42.059 0.333 0.000 0.899 279 L HN 0.566 nan 8.230 nan 0.000 0.433 280 D N -1.323 119.205 120.400 0.214 0.000 2.162 280 D HA -0.102 4.512 4.640 -0.044 0.000 0.203 280 D C 1.865 178.278 176.300 0.188 0.000 0.967 280 D CA 1.858 55.979 54.000 0.201 0.000 0.840 280 D CB 0.141 41.004 40.800 0.105 0.000 0.972 280 D HN 0.568 nan 8.370 nan 0.000 0.482 281 T N -3.733 110.770 114.554 -0.086 0.000 2.990 281 T HA 0.340 4.664 4.350 -0.044 0.000 0.250 281 T C 1.716 175.736 174.700 -1.133 0.000 1.041 281 T CA 0.836 62.683 62.100 -0.421 0.000 1.010 281 T CB 0.956 69.657 68.868 -0.277 0.000 1.003 281 T HN 0.158 nan 8.240 nan 0.000 0.499 282 G N 1.990 110.182 108.800 -1.014 0.000 2.184 282 G HA2 -0.239 3.695 3.960 -0.044 0.000 0.264 282 G HA3 -0.239 3.695 3.960 -0.044 0.000 0.264 282 G C 0.183 174.612 174.900 -0.785 0.000 0.975 282 G CA 0.292 44.540 45.100 -1.420 0.000 0.642 282 G HN 0.496 nan 8.290 nan 0.000 0.536 283 M N 1.288 120.556 119.600 -0.554 0.000 2.246 283 M HA 0.504 4.958 4.480 -0.044 0.000 0.350 283 M C 0.942 177.061 176.300 -0.303 0.000 1.406 283 M CA -0.168 54.909 55.300 -0.371 0.000 1.089 283 M CB 0.381 32.832 32.600 -0.248 0.000 1.782 283 M HN 0.610 nan 8.290 nan 0.000 0.457 284 A N 3.967 126.622 122.820 -0.276 0.000 2.454 284 A HA 0.188 4.482 4.320 -0.044 0.000 0.260 284 A C 1.089 178.717 177.584 0.072 0.000 1.106 284 A CA -0.279 51.671 52.037 -0.145 0.000 0.780 284 A CB 0.180 19.153 19.000 -0.045 0.000 1.044 284 A HN 0.869 nan 8.150 nan 0.000 0.498 285 K N 2.725 123.123 120.400 -0.005 0.000 2.137 285 K HA 0.072 4.365 4.320 -0.044 0.000 0.202 285 K C 0.303 177.053 176.600 0.250 0.000 1.052 285 K CA 1.294 57.647 56.287 0.109 0.000 0.961 285 K CB 0.090 32.628 32.500 0.063 0.000 0.741 285 K HN 0.860 nan 8.250 nan 0.000 0.452 286 W N -1.657 119.691 121.300 0.080 0.000 3.074 286 W HA 0.636 5.271 4.660 -0.041 0.000 0.332 286 W C -1.040 175.460 176.519 -0.032 0.000 1.253 286 W CA -0.994 56.263 57.345 -0.146 0.000 1.180 286 W CB 0.555 29.934 29.460 -0.135 0.000 1.445 286 W HN 0.017 nan 8.180 nan 0.000 0.573 287 G N 1.394 110.227 108.800 0.054 0.000 2.734 287 G HA2 0.477 4.410 3.960 -0.044 0.000 0.293 287 G HA3 0.477 4.410 3.960 -0.044 0.000 0.293 287 G C -2.967 171.859 174.900 -0.122 0.000 1.422 287 G CA -0.697 44.242 45.100 -0.268 0.000 1.177 287 G HN 0.623 nan 8.290 nan 0.000 0.565 288 Y N 2.155 122.298 120.300 -0.262 0.000 2.328 288 Y HA 0.579 5.102 4.550 -0.045 0.000 0.333 288 Y C 0.164 175.838 175.900 -0.377 0.000 0.958 288 Y CA -0.960 56.870 58.100 -0.451 0.000 1.167 288 Y CB 1.909 40.039 38.460 -0.549 0.000 1.151 288 Y HN 0.529 nan 8.280 nan 0.000 0.470 289 Q N 6.216 125.518 119.800 -0.830 0.000 2.323 289 Q HA 0.179 4.492 4.340 -0.044 0.000 0.257 289 Q C 0.303 175.686 176.000 -1.028 0.000 1.022 289 Q CA -0.081 55.314 55.803 -0.681 0.000 0.919 289 Q CB 0.926 29.414 28.738 -0.415 0.000 1.220 289 Q HN 0.900 nan 8.270 nan 0.000 0.427 290 K N 1.478 121.428 120.400 -0.750 0.000 2.031 290 K HA 0.000 4.294 4.320 -0.044 0.000 0.205 290 K C 0.119 176.603 176.600 -0.192 0.000 1.049 290 K CA 1.074 57.048 56.287 -0.522 0.000 0.939 290 K CB 0.397 32.679 32.500 -0.363 0.000 0.717 290 K HN 0.407 nan 8.250 nan 0.000 0.438 291 T N 3.178 117.688 114.554 -0.074 0.000 3.060 291 T HA 0.273 4.596 4.350 -0.044 0.000 0.367 291 T C -2.715 172.000 174.700 0.025 0.000 1.229 291 T CA -1.594 60.570 62.100 0.107 0.000 1.104 291 T CB 1.572 70.661 68.868 0.368 0.000 1.083 291 T HN -0.143 nan 8.240 nan 0.000 0.524 292 P HA 0.149 nan 4.420 nan 0.000 0.271 292 P C 0.013 177.319 177.300 0.009 0.000 1.216 292 P CA 0.023 63.068 63.100 -0.092 0.000 0.776 292 P CB 0.124 31.745 31.700 -0.131 0.000 0.881 293 H N 0.247 119.205 119.070 -0.188 0.000 2.499 293 H HA -0.259 4.270 4.556 -0.044 0.000 0.321 293 H C -0.209 175.003 175.328 -0.194 0.000 1.026 293 H CA 0.289 56.205 56.048 -0.220 0.000 1.077 293 H CB -1.477 28.155 29.762 -0.217 0.000 1.612 293 H HN 0.366 nan 8.280 nan 0.000 0.374 294 D N 1.612 121.825 120.400 -0.313 0.000 2.506 294 D HA 0.007 4.620 4.640 -0.044 0.000 0.234 294 D C 0.830 176.673 176.300 -0.762 0.000 1.143 294 D CA 1.004 54.821 54.000 -0.305 0.000 0.871 294 D CB 0.648 41.371 40.800 -0.128 0.000 1.190 294 D HN 0.757 nan 8.370 nan 0.000 0.459 295 E N 2.420 121.853 120.200 -1.279 0.000 2.715 295 E HA 0.124 4.448 4.350 -0.044 0.000 0.224 295 E C -0.045 175.293 176.600 -2.103 0.000 0.962 295 E CA -0.261 55.110 56.400 -1.715 0.000 1.145 295 E CB 0.634 29.073 29.700 -2.102 0.000 1.083 295 E HN 0.629 nan 8.360 nan 0.000 0.506 296 W N 0.498 121.134 121.300 -1.106 0.000 2.055 296 W HA 0.168 4.801 4.660 -0.045 0.000 0.293 296 W C -0.009 175.905 176.519 -1.007 0.000 0.886 296 W CA -0.454 55.992 57.345 -1.499 0.000 1.384 296 W CB 0.550 28.825 29.460 -1.975 0.000 1.068 296 W HN 0.049 nan 8.180 nan 0.000 0.513 297 D N 1.094 121.169 120.400 -0.542 0.000 2.746 297 D HA -0.243 4.371 4.640 -0.044 0.000 0.236 297 D C -0.347 175.959 176.300 0.010 0.000 1.129 297 D CA 0.660 54.406 54.000 -0.422 0.000 0.691 297 D CB -1.825 38.401 40.800 -0.957 0.000 1.077 297 D HN 0.245 nan 8.370 nan 0.000 0.432 298 F N 0.271 120.291 119.950 0.117 0.000 2.833 298 F HA 0.433 4.933 4.527 -0.045 0.000 0.327 298 F C 1.664 177.576 175.800 0.186 0.000 1.184 298 F CA -0.575 57.519 58.000 0.158 0.000 1.328 298 F CB -0.206 38.878 39.000 0.140 0.000 1.440 298 F HN 0.224 nan 8.300 nan 0.000 0.569 299 A N 1.032 124.096 122.820 0.406 0.000 2.567 299 A HA 0.021 4.314 4.320 -0.044 0.000 0.263 299 A C 1.416 179.165 177.584 0.275 0.000 1.030 299 A CA 0.610 52.882 52.037 0.390 0.000 0.833 299 A CB -0.326 19.047 19.000 0.620 0.000 0.924 299 A HN 0.736 nan 8.150 nan 0.000 0.518 300 G N 1.821 110.748 108.800 0.212 0.000 3.452 300 G HA2 0.293 4.227 3.960 -0.044 0.000 0.258 300 G HA3 0.293 4.227 3.960 -0.044 0.000 0.258 300 G C 0.783 175.734 174.900 0.084 0.000 1.305 300 G CA 0.538 45.733 45.100 0.159 0.000 1.514 300 G HN 1.617 nan 8.290 nan 0.000 0.593 301 V N -2.837 117.037 119.914 -0.067 0.000 3.649 301 V HA 0.192 4.285 4.120 -0.044 0.000 0.275 301 V C 0.743 176.757 176.094 -0.132 0.000 1.281 301 V CA -0.891 61.248 62.300 -0.268 0.000 1.143 301 V CB -1.193 30.068 31.823 -0.936 0.000 0.892 301 V HN 0.323 nan 8.190 nan 0.000 0.441 302 N N 1.905 120.657 118.700 0.087 0.000 2.344 302 N HA 0.007 4.720 4.740 -0.044 0.000 0.236 302 N C 0.151 175.850 175.510 0.315 0.000 1.279 302 N CA 0.059 53.193 53.050 0.140 0.000 0.882 302 N CB 0.228 38.628 38.487 -0.145 0.000 1.110 302 N HN 0.597 nan 8.380 nan 0.000 0.436 303 Q N 1.231 121.214 119.800 0.305 0.000 2.326 303 Q HA -0.115 4.198 4.340 -0.044 0.000 0.314 303 Q C -0.933 175.230 176.000 0.272 0.000 1.091 303 Q CA 0.337 56.310 55.803 0.283 0.000 0.974 303 Q CB 0.461 29.251 28.738 0.087 0.000 1.220 303 Q HN 0.360 nan 8.270 nan 0.000 0.398 304 M N 4.127 123.854 119.600 0.212 0.000 2.205 304 M HA 0.343 4.797 4.480 -0.044 0.000 0.344 304 M C -1.075 175.284 176.300 0.098 0.000 1.085 304 M CA -0.682 54.695 55.300 0.128 0.000 1.001 304 M CB 1.503 34.166 32.600 0.105 0.000 1.626 304 M HN 0.345 nan 8.290 nan 0.000 0.442 305 V N 5.491 125.420 119.914 0.024 0.000 2.378 305 V HA 0.493 4.586 4.120 -0.044 0.000 0.288 305 V C -0.085 175.929 176.094 -0.133 0.000 1.016 305 V CA -0.700 61.593 62.300 -0.011 0.000 0.840 305 V CB 1.691 33.495 31.823 -0.031 0.000 0.994 305 V HN 0.693 nan 8.190 nan 0.000 0.431 306 L N 5.545 126.681 121.223 -0.146 0.000 2.275 306 L HA 0.795 5.108 4.340 -0.044 0.000 0.288 306 L C 0.392 177.072 176.870 -0.316 0.000 1.046 306 L CA -0.077 54.548 54.840 -0.358 0.000 0.805 306 L CB 1.610 43.282 42.059 -0.644 0.000 1.193 306 L HN 0.832 nan 8.230 nan 0.000 0.426 307 T N -1.905 112.453 114.554 -0.327 0.000 2.864 307 T HA 0.467 4.791 4.350 -0.044 0.000 0.299 307 T C -1.166 173.448 174.700 -0.144 0.000 1.166 307 T CA -0.978 60.979 62.100 -0.238 0.000 1.007 307 T CB 2.559 71.119 68.868 -0.513 0.000 1.219 307 T HN 0.367 nan 8.240 nan 0.000 0.506 308 D N 2.038 122.429 120.400 -0.016 0.000 2.462 308 D HA 0.420 5.033 4.640 -0.044 0.000 0.245 308 D C -0.483 175.838 176.300 0.034 0.000 1.122 308 D CA -0.250 53.756 54.000 0.010 0.000 0.864 308 D CB 1.873 42.716 40.800 0.073 0.000 1.098 308 D HN 0.582 nan 8.370 nan 0.000 0.541 309 Q N 1.303 121.105 119.800 0.003 0.000 2.456 309 Q HA 0.460 4.774 4.340 -0.044 0.000 0.284 309 Q C -2.737 173.265 176.000 0.003 0.000 1.061 309 Q CA -1.997 53.821 55.803 0.024 0.000 0.799 309 Q CB 3.333 32.090 28.738 0.032 0.000 1.445 309 Q HN 0.162 nan 8.270 nan 0.000 0.411 310 P HA 0.117 nan 4.420 nan 0.000 0.281 310 P C -0.757 176.536 177.300 -0.013 0.000 1.252 310 P CA -0.191 62.908 63.100 -0.002 0.000 0.778 310 P CB 0.937 32.640 31.700 0.006 0.000 0.895 311 V N 5.202 125.101 119.914 -0.025 0.000 2.294 311 V HA 0.188 4.281 4.120 -0.044 0.000 0.272 311 V C 1.132 177.208 176.094 -0.029 0.000 1.027 311 V CA -0.312 61.968 62.300 -0.034 0.000 0.823 311 V CB -0.177 31.616 31.823 -0.050 0.000 1.030 311 V HN 0.796 nan 8.190 nan 0.000 0.457 312 N N 4.162 122.848 118.700 -0.023 0.000 2.735 312 N HA -0.221 4.492 4.740 -0.044 0.000 0.248 312 N C 1.065 176.565 175.510 -0.017 0.000 1.083 312 N CA 1.547 54.585 53.050 -0.021 0.000 0.703 312 N CB -0.908 37.563 38.487 -0.026 0.000 1.005 312 N HN 1.393 nan 8.380 nan 0.000 0.550 313 G N -0.675 108.117 108.800 -0.013 0.000 2.234 313 G HA2 -0.316 3.618 3.960 -0.044 0.000 0.235 313 G HA3 -0.316 3.618 3.960 -0.044 0.000 0.235 313 G C -0.037 174.857 174.900 -0.010 0.000 0.997 313 G CA 0.667 45.761 45.100 -0.009 0.000 0.623 313 G HN 0.670 nan 8.290 nan 0.000 0.514 314 K N 0.717 121.107 120.400 -0.016 0.000 2.240 314 K HA 0.661 4.955 4.320 -0.044 0.000 0.271 314 K C 0.564 177.153 176.600 -0.018 0.000 1.018 314 K CA -1.012 55.264 56.287 -0.018 0.000 0.874 314 K CB 0.590 33.075 32.500 -0.025 0.000 1.098 314 K HN 0.095 nan 8.250 nan 0.000 0.458 315 M N 3.313 122.907 119.600 -0.010 0.000 2.260 315 M HA 0.040 4.493 4.480 -0.044 0.000 0.348 315 M C -1.134 175.154 176.300 -0.020 0.000 1.342 315 M CA 1.258 56.554 55.300 -0.007 0.000 1.040 315 M CB 0.338 32.941 32.600 0.005 0.000 1.810 315 M HN 0.592 nan 8.290 nan 0.000 0.453 316 T N 7.480 122.017 114.554 -0.029 0.000 2.933 316 T HA 0.576 4.900 4.350 -0.044 0.000 0.305 316 T C -2.818 171.846 174.700 -0.061 0.000 1.092 316 T CA -0.963 61.108 62.100 -0.050 0.000 1.008 316 T CB 1.896 70.723 68.868 -0.069 0.000 1.102 316 T HN 0.504 nan 8.240 nan 0.000 0.469 317 P HA 0.409 nan 4.420 nan 0.000 0.286 317 P C -0.928 176.287 177.300 -0.141 0.000 1.321 317 P CA -0.354 62.692 63.100 -0.090 0.000 0.790 317 P CB 0.444 32.109 31.700 -0.059 0.000 0.897 318 L N 3.794 124.911 121.223 -0.177 0.000 2.331 318 L HA 0.662 4.975 4.340 -0.044 0.000 0.268 318 L C 0.324 177.030 176.870 -0.273 0.000 1.015 318 L CA -1.265 53.450 54.840 -0.208 0.000 0.807 318 L CB 1.704 43.654 42.059 -0.182 0.000 1.293 318 L HN 0.255 nan 8.230 nan 0.000 0.451 319 L N 0.217 121.290 121.223 -0.250 0.000 2.438 319 L HA 0.606 4.920 4.340 -0.044 0.000 0.270 319 L C -1.030 175.747 176.870 -0.155 0.000 0.972 319 L CA 0.169 54.856 54.840 -0.255 0.000 0.831 319 L CB 1.967 43.861 42.059 -0.274 0.000 1.273 319 L HN 0.584 nan 8.230 nan 0.000 0.405 320 S N 3.193 118.821 115.700 -0.120 0.000 2.566 320 S HA 0.682 5.125 4.470 -0.044 0.000 0.298 320 S C -1.543 173.086 174.600 0.049 0.000 1.083 320 S CA -0.506 57.658 58.200 -0.060 0.000 0.978 320 S CB 1.422 64.549 63.200 -0.121 0.000 1.073 320 S HN 0.788 nan 8.310 nan 0.000 0.491 321 H N 1.139 120.165 119.070 -0.074 0.000 3.151 321 H HA 0.330 4.859 4.556 -0.044 0.000 0.333 321 H C -2.045 173.241 175.328 -0.071 0.000 1.093 321 H CA -0.478 55.529 56.048 -0.068 0.000 1.342 321 H CB 0.674 30.421 29.762 -0.025 0.000 1.983 321 H HN 0.548 nan 8.280 nan 0.000 0.503 322 I N 4.505 124.722 120.570 -0.588 0.000 2.330 322 I HA 0.074 4.217 4.170 -0.044 0.000 0.286 322 I C 0.073 175.753 176.117 -0.728 0.000 1.025 322 I CA -0.437 60.526 61.300 -0.562 0.000 1.197 322 I CB 1.207 38.910 38.000 -0.495 0.000 1.358 322 I HN 0.523 nan 8.210 nan 0.000 0.467 323 D N 4.399 124.528 120.400 -0.452 0.000 2.358 323 D HA 0.173 4.787 4.640 -0.044 0.000 0.244 323 D C 1.388 177.592 176.300 -0.159 0.000 1.163 323 D CA -0.285 53.550 54.000 -0.275 0.000 0.945 323 D CB 1.186 42.032 40.800 0.078 0.000 1.152 323 D HN 0.281 nan 8.370 nan 0.000 0.451 324 R N 1.009 121.470 120.500 -0.065 0.000 2.127 324 R HA -0.143 4.170 4.340 -0.044 0.000 0.238 324 R C 1.289 177.281 176.300 -0.513 0.000 1.134 324 R CA 1.105 57.179 56.100 -0.044 0.000 0.975 324 R CB -0.829 29.599 30.300 0.214 0.000 0.865 324 R HN 0.599 nan 8.270 nan 0.000 0.447 325 N N -0.076 118.177 118.700 -0.744 0.000 2.609 325 N HA -0.062 4.652 4.740 -0.044 0.000 0.190 325 N C 1.001 175.933 175.510 -0.964 0.000 1.157 325 N CA 1.159 53.327 53.050 -1.469 0.000 0.918 325 N CB -0.147 37.893 38.487 -0.744 0.000 0.978 325 N HN 0.289 nan 8.380 nan 0.000 0.448 326 G N -0.918 107.558 108.800 -0.541 0.000 2.157 326 G HA2 -0.202 3.731 3.960 -0.044 0.000 0.248 326 G HA3 -0.202 3.731 3.960 -0.044 0.000 0.248 326 G C -0.421 174.333 174.900 -0.243 0.000 0.979 326 G CA 0.210 45.113 45.100 -0.328 0.000 0.650 326 G HN 0.304 nan 8.290 nan 0.000 0.529 327 I N 0.909 121.319 120.570 -0.266 0.000 2.377 327 I HA 0.477 4.621 4.170 -0.044 0.000 0.293 327 I C 0.516 176.348 176.117 -0.475 0.000 0.987 327 I CA -1.251 59.816 61.300 -0.389 0.000 1.185 327 I CB 1.495 39.176 38.000 -0.531 0.000 1.341 327 I HN 0.163 nan 8.210 nan 0.000 0.455 328 L N 7.627 128.545 121.223 -0.508 0.000 2.260 328 L HA 0.370 4.683 4.340 -0.044 0.000 0.289 328 L C -1.298 175.306 176.870 -0.443 0.000 1.057 328 L CA -0.302 54.266 54.840 -0.454 0.000 0.811 328 L CB 0.353 42.068 42.059 -0.573 0.000 1.184 328 L HN 0.379 nan 8.230 nan 0.000 0.429 329 Y N 2.867 123.079 120.300 -0.146 0.000 2.360 329 Y HA 0.501 5.025 4.550 -0.044 0.000 0.337 329 Y C 0.237 176.065 175.900 -0.121 0.000 1.039 329 Y CA -0.610 57.431 58.100 -0.098 0.000 1.109 329 Y CB 2.223 40.684 38.460 0.002 0.000 1.201 329 Y HN 0.413 nan 8.280 nan 0.000 0.458 330 T N 4.953 119.505 114.554 -0.004 0.000 2.881 330 T HA 0.631 4.955 4.350 -0.044 0.000 0.291 330 T C -1.094 173.529 174.700 -0.129 0.000 0.990 330 T CA -0.532 61.520 62.100 -0.080 0.000 0.976 330 T CB 0.672 69.474 68.868 -0.111 0.000 0.970 330 T HN 0.223 nan 8.240 nan 0.000 0.438 331 L N 2.731 123.849 121.223 -0.176 0.000 2.309 331 L HA 0.580 4.894 4.340 -0.044 0.000 0.261 331 L C 0.303 177.000 176.870 -0.288 0.000 1.021 331 L CA -0.964 53.709 54.840 -0.278 0.000 0.823 331 L CB 1.346 43.166 42.059 -0.398 0.000 1.366 331 L HN 0.488 nan 8.230 nan 0.000 0.423 332 N N 1.191 119.688 118.700 -0.338 0.000 2.442 332 N HA 0.066 4.780 4.740 -0.044 0.000 0.265 332 N C 0.818 176.122 175.510 -0.343 0.000 1.138 332 N CA -0.142 52.737 53.050 -0.286 0.000 0.956 332 N CB 1.016 39.344 38.487 -0.265 0.000 1.067 332 N HN 0.685 nan 8.380 nan 0.000 0.474 333 R N 2.822 123.206 120.500 -0.193 0.000 2.307 333 R HA 0.047 4.361 4.340 -0.044 0.000 0.199 333 R C 0.684 177.160 176.300 0.292 0.000 1.000 333 R CA 0.854 56.957 56.100 0.005 0.000 1.023 333 R CB 0.086 30.255 30.300 -0.218 0.000 0.908 333 R HN 0.572 nan 8.270 nan 0.000 0.473 334 E N 1.528 121.770 120.200 0.069 0.000 2.060 334 E HA -0.089 4.235 4.350 -0.044 0.000 0.189 334 E C 1.049 177.700 176.600 0.085 0.000 0.974 334 E CA 1.399 57.878 56.400 0.131 0.000 0.808 334 E CB 0.050 29.767 29.700 0.028 0.000 0.768 334 E HN 0.758 nan 8.360 nan 0.000 0.453 335 N N -1.579 116.988 118.700 -0.223 0.000 2.181 335 N HA 0.108 4.821 4.740 -0.044 0.000 0.207 335 N C 1.129 176.127 175.510 -0.853 0.000 1.182 335 N CA 0.476 53.316 53.050 -0.350 0.000 0.893 335 N CB 1.564 39.919 38.487 -0.221 0.000 1.032 335 N HN 0.152 nan 8.380 nan 0.000 0.513 336 G N 1.157 109.078 108.800 -1.465 0.000 2.176 336 G HA2 -0.268 3.666 3.960 -0.044 0.000 0.253 336 G HA3 -0.268 3.666 3.960 -0.044 0.000 0.253 336 G C -0.461 174.013 174.900 -0.711 0.000 0.979 336 G CA -0.294 43.793 45.100 -1.689 0.000 0.641 336 G HN 0.372 nan 8.290 nan 0.000 0.530 337 N N 0.224 118.616 118.700 -0.513 0.000 2.357 337 N HA 0.263 4.976 4.740 -0.044 0.000 0.257 337 N C 0.249 175.591 175.510 -0.279 0.000 1.250 337 N CA -0.010 52.855 53.050 -0.309 0.000 0.862 337 N CB 0.853 39.190 38.487 -0.249 0.000 1.066 337 N HN 0.394 nan 8.380 nan 0.000 0.468 338 L N 3.695 124.810 121.223 -0.180 0.000 2.313 338 L HA 0.263 4.576 4.340 -0.044 0.000 0.282 338 L C 0.701 177.476 176.870 -0.159 0.000 1.092 338 L CA 0.436 55.135 54.840 -0.235 0.000 0.831 338 L CB 0.211 42.123 42.059 -0.246 0.000 1.159 338 L HN 0.608 nan 8.230 nan 0.000 0.442 339 I N 4.162 124.636 120.570 -0.160 0.000 3.300 339 I HA 0.170 4.313 4.170 -0.044 0.000 0.279 339 I C -0.253 175.799 176.117 -0.108 0.000 1.172 339 I CA 0.212 61.437 61.300 -0.124 0.000 1.431 339 I CB 0.472 38.395 38.000 -0.128 0.000 1.240 339 I HN 0.285 nan 8.210 nan 0.000 0.453 340 V N 0.975 120.820 119.914 -0.115 0.000 2.789 340 V HA 0.771 4.864 4.120 -0.044 0.000 0.311 340 V C -0.748 175.252 176.094 -0.157 0.000 1.073 340 V CA -0.649 61.577 62.300 -0.123 0.000 0.921 340 V CB 1.809 33.556 31.823 -0.126 0.000 1.009 340 V HN 0.207 nan 8.190 nan 0.000 0.426 341 A N 3.131 125.830 122.820 -0.202 0.000 2.969 341 A HA 0.685 4.978 4.320 -0.044 0.000 0.303 341 A C -0.687 176.724 177.584 -0.288 0.000 1.198 341 A CA -0.500 51.327 52.037 -0.350 0.000 0.819 341 A CB 0.459 19.318 19.000 -0.236 0.000 1.385 341 A HN 0.605 nan 8.150 nan 0.000 0.479 342 E N 1.084 121.103 120.200 -0.302 0.000 2.244 342 E HA 0.354 4.677 4.350 -0.044 0.000 0.266 342 E C -0.676 175.791 176.600 -0.221 0.000 0.914 342 E CA -0.642 55.635 56.400 -0.205 0.000 0.794 342 E CB 1.848 31.460 29.700 -0.147 0.000 1.210 342 E HN 0.547 nan 8.360 nan 0.000 0.414 343 K N 0.885 121.208 120.400 -0.128 0.000 2.368 343 K HA 0.066 4.359 4.320 -0.044 0.000 0.282 343 K C 1.340 177.918 176.600 -0.037 0.000 1.035 343 K CA -0.119 56.112 56.287 -0.092 0.000 0.973 343 K CB 0.776 33.253 32.500 -0.039 0.000 0.957 343 K HN 0.291 nan 8.250 nan 0.000 0.474 344 V N -1.401 118.499 119.914 -0.024 0.000 3.217 344 V HA -0.013 4.081 4.120 -0.044 0.000 0.264 344 V C 0.483 176.708 176.094 0.219 0.000 1.135 344 V CA 0.926 63.279 62.300 0.089 0.000 1.142 344 V CB -0.372 31.467 31.823 0.026 0.000 0.754 344 V HN 0.777 nan 8.190 nan 0.000 0.484 345 D N -0.017 120.497 120.400 0.189 0.000 2.886 345 D HA 0.256 4.869 4.640 -0.044 0.000 0.216 345 D C -2.494 173.921 176.300 0.191 0.000 1.256 345 D CA -1.008 53.096 54.000 0.174 0.000 0.844 345 D CB 2.657 43.545 40.800 0.147 0.000 1.669 345 D HN -0.023 nan 8.370 nan 0.000 0.513 346 P HA -0.055 nan 4.420 nan 0.000 0.228 346 P C 1.019 178.384 177.300 0.108 0.000 1.151 346 P CA 0.464 63.624 63.100 0.100 0.000 0.770 346 P CB 0.196 31.944 31.700 0.079 0.000 0.786 347 A N 0.206 123.157 122.820 0.218 0.000 2.067 347 A HA -0.004 4.289 4.320 -0.044 0.000 0.219 347 A C 1.250 178.844 177.584 0.017 0.000 1.158 347 A CA 0.385 52.537 52.037 0.192 0.000 0.661 347 A CB -1.193 18.037 19.000 0.383 0.000 0.801 347 A HN 0.083 nan 8.150 nan 0.000 0.452 348 V N 2.355 122.263 119.914 -0.010 0.000 2.539 348 V HA -0.061 4.032 4.120 -0.044 0.000 0.300 348 V C 0.950 176.837 176.094 -0.347 0.000 1.019 348 V CA 1.159 63.256 62.300 -0.338 0.000 1.160 348 V CB -0.353 31.273 31.823 -0.328 0.000 0.901 348 V HN 0.869 nan 8.190 nan 0.000 0.481 349 N N 3.266 121.659 118.700 -0.511 0.000 2.143 349 N HA -0.030 4.683 4.740 -0.044 0.000 0.222 349 N C 0.913 176.172 175.510 -0.419 0.000 1.264 349 N CA 0.506 53.242 53.050 -0.523 0.000 0.897 349 N CB 0.126 38.026 38.487 -0.979 0.000 1.092 349 N HN 0.440 nan 8.380 nan 0.000 0.516 350 V N -2.318 117.239 119.914 -0.594 0.000 2.594 350 V HA 0.215 4.308 4.120 -0.044 0.000 0.253 350 V C 0.325 176.291 176.094 -0.213 0.000 1.069 350 V CA 0.792 62.729 62.300 -0.605 0.000 1.082 350 V CB -1.090 29.839 31.823 -1.489 0.000 0.680 350 V HN 0.108 nan 8.190 nan 0.000 0.469 351 F N -0.889 118.953 119.950 -0.180 0.000 2.551 351 F HA 0.605 5.106 4.527 -0.045 0.000 0.316 351 F C 1.135 176.898 175.800 -0.062 0.000 1.089 351 F CA -1.403 56.545 58.000 -0.087 0.000 0.915 351 F CB 1.863 40.797 39.000 -0.110 0.000 1.186 351 F HN -0.344 nan 8.300 nan 0.000 0.456 352 K N 1.371 121.882 120.400 0.184 0.000 2.103 352 K HA -0.012 4.281 4.320 -0.044 0.000 0.204 352 K C 0.062 176.707 176.600 0.075 0.000 1.052 352 K CA 1.172 57.518 56.287 0.099 0.000 0.945 352 K CB -0.021 32.528 32.500 0.083 0.000 0.722 352 K HN 0.794 nan 8.250 nan 0.000 0.443 353 K N -2.262 118.192 120.400 0.090 0.000 2.809 353 K HA 0.244 4.538 4.320 -0.044 0.000 0.293 353 K C -1.343 175.261 176.600 0.008 0.000 1.061 353 K CA -0.778 55.536 56.287 0.045 0.000 0.837 353 K CB 0.926 33.432 32.500 0.011 0.000 1.524 353 K HN -0.259 nan 8.250 nan 0.000 0.370 354 V N 1.600 121.498 119.914 -0.026 0.000 2.370 354 V HA 0.207 4.301 4.120 -0.044 0.000 0.283 354 V C -0.655 175.424 176.094 -0.025 0.000 1.023 354 V CA -0.468 61.800 62.300 -0.054 0.000 0.857 354 V CB 1.346 33.145 31.823 -0.039 0.000 0.985 354 V HN 0.738 nan 8.190 nan 0.000 0.443 355 D N 4.176 124.567 120.400 -0.015 0.000 2.339 355 D HA 0.173 4.786 4.640 -0.044 0.000 0.256 355 D C 1.002 177.319 176.300 0.029 0.000 1.214 355 D CA -0.049 53.952 54.000 0.002 0.000 0.877 355 D CB 1.501 42.303 40.800 0.003 0.000 1.111 355 D HN 0.455 nan 8.370 nan 0.000 0.478 356 L N 3.594 124.823 121.223 0.010 0.000 2.275 356 L HA -0.129 4.184 4.340 -0.044 0.000 0.215 356 L C 2.274 179.167 176.870 0.038 0.000 1.119 356 L CA 0.833 55.681 54.840 0.015 0.000 0.790 356 L CB -0.051 41.995 42.059 -0.022 0.000 0.919 356 L HN 0.317 nan 8.230 nan 0.000 0.443 357 K N -0.331 120.077 120.400 0.012 0.000 2.044 357 K HA -0.064 4.229 4.320 -0.044 0.000 0.204 357 K C 2.175 178.776 176.600 0.002 0.000 1.045 357 K CA 1.707 57.977 56.287 -0.029 0.000 0.951 357 K CB -0.255 32.212 32.500 -0.054 0.000 0.738 357 K HN 0.325 nan 8.250 nan 0.000 0.443 358 T N -2.130 112.459 114.554 0.058 0.000 3.023 358 T HA 0.055 4.379 4.350 -0.044 0.000 0.266 358 T C 1.533 176.406 174.700 0.289 0.000 1.093 358 T CA 0.841 63.018 62.100 0.129 0.000 1.129 358 T CB -0.089 68.818 68.868 0.064 0.000 0.899 358 T HN 0.399 nan 8.240 nan 0.000 0.491 359 G N 1.465 110.420 108.800 0.257 0.000 2.148 359 G HA2 -0.221 3.712 3.960 -0.044 0.000 0.254 359 G HA3 -0.221 3.712 3.960 -0.044 0.000 0.254 359 G C 0.232 175.264 174.900 0.220 0.000 0.981 359 G CA 0.656 45.951 45.100 0.324 0.000 0.670 359 G HN 1.273 nan 8.290 nan 0.000 0.528 360 T N -2.503 112.102 114.554 0.085 0.000 2.916 360 T HA 0.730 5.054 4.350 -0.044 0.000 0.292 360 T C -3.234 171.390 174.700 -0.126 0.000 1.055 360 T CA -2.025 60.049 62.100 -0.044 0.000 1.009 360 T CB 3.313 72.140 68.868 -0.068 0.000 1.118 360 T HN -0.022 nan 8.240 nan 0.000 0.497 361 P HA 0.320 nan 4.420 nan 0.000 0.276 361 P C -0.683 176.432 177.300 -0.308 0.000 1.230 361 P CA -0.533 62.229 63.100 -0.563 0.000 0.776 361 P CB 0.537 31.307 31.700 -1.549 0.000 0.888 362 V N 5.359 125.177 119.914 -0.161 0.000 2.338 362 V HA 0.145 4.239 4.120 -0.044 0.000 0.255 362 V C 0.914 177.041 176.094 0.055 0.000 1.082 362 V CA -0.224 62.057 62.300 -0.032 0.000 0.951 362 V CB -0.711 31.115 31.823 0.006 0.000 1.102 362 V HN 0.478 nan 8.190 nan 0.000 0.489 363 R N 2.792 123.344 120.500 0.086 0.000 2.590 363 R HA 0.204 4.517 4.340 -0.044 0.000 0.274 363 R C -0.138 176.292 176.300 0.217 0.000 1.061 363 R CA -0.300 55.947 56.100 0.244 0.000 1.081 363 R CB 0.554 31.005 30.300 0.251 0.000 0.984 363 R HN 0.544 nan 8.270 nan 0.000 0.448 364 D N 3.090 123.656 120.400 0.276 0.000 2.427 364 D HA 0.186 4.799 4.640 -0.044 0.000 0.226 364 D C -1.805 174.626 176.300 0.218 0.000 1.076 364 D CA -2.616 51.525 54.000 0.234 0.000 0.849 364 D CB 1.649 42.636 40.800 0.311 0.000 1.052 364 D HN 0.166 nan 8.370 nan 0.000 0.515 365 P HA -0.155 nan 4.420 nan 0.000 0.218 365 P C 1.053 178.346 177.300 -0.011 0.000 1.146 365 P CA 0.844 63.981 63.100 0.062 0.000 0.813 365 P CB 0.353 32.060 31.700 0.012 0.000 0.778 366 E N -1.370 118.774 120.200 -0.093 0.000 2.204 366 E HA -0.143 4.180 4.350 -0.044 0.000 0.195 366 E C 0.367 176.610 176.600 -0.596 0.000 0.990 366 E CA 0.804 56.972 56.400 -0.387 0.000 0.821 366 E CB -0.223 29.123 29.700 -0.589 0.000 0.750 366 E HN 0.282 nan 8.360 nan 0.000 0.477 367 F N -0.257 119.777 119.950 0.139 0.000 2.791 367 F HA 0.395 4.895 4.527 -0.044 0.000 0.308 367 F C 0.411 176.400 175.800 0.315 0.000 1.138 367 F CA -0.621 57.480 58.000 0.168 0.000 1.294 367 F CB 0.670 39.707 39.000 0.061 0.000 0.975 367 F HN -0.039 nan 8.300 nan 0.000 0.512 368 A N 0.318 123.344 122.820 0.344 0.000 2.240 368 A HA 0.742 5.035 4.320 -0.044 0.000 0.292 368 A C 0.422 178.048 177.584 0.070 0.000 1.121 368 A CA -0.067 52.141 52.037 0.286 0.000 0.851 368 A CB 0.276 19.357 19.000 0.135 0.000 1.167 368 A HN 0.224 nan 8.150 nan 0.000 0.503 369 T N -1.570 112.832 114.554 -0.252 0.000 2.908 369 T HA 0.819 5.142 4.350 -0.044 0.000 0.290 369 T C -0.645 173.994 174.700 -0.101 0.000 1.034 369 T CA -0.836 61.117 62.100 -0.244 0.000 1.010 369 T CB 1.422 69.790 68.868 -0.833 0.000 1.068 369 T HN 1.246 nan 8.240 nan 0.000 0.481 370 R N 1.217 121.768 120.500 0.086 0.000 2.753 370 R HA 0.381 4.694 4.340 -0.044 0.000 0.272 370 R C -0.927 175.472 176.300 0.164 0.000 1.034 370 R CA -1.148 55.007 56.100 0.091 0.000 0.869 370 R CB 0.646 30.972 30.300 0.042 0.000 1.264 370 R HN 0.473 nan 8.270 nan 0.000 0.481 371 M N 1.974 121.649 119.600 0.125 0.000 2.252 371 M HA 0.031 4.485 4.480 -0.044 0.000 0.329 371 M C -0.046 176.342 176.300 0.146 0.000 1.101 371 M CA 1.290 56.669 55.300 0.132 0.000 1.117 371 M CB -0.514 32.145 32.600 0.098 0.000 1.563 371 M HN 0.818 nan 8.290 nan 0.000 0.445 372 D N 1.091 121.579 120.400 0.146 0.000 2.837 372 D HA -0.233 4.380 4.640 -0.044 0.000 0.230 372 D C -0.362 176.054 176.300 0.194 0.000 1.152 372 D CA 1.144 55.227 54.000 0.138 0.000 0.736 372 D CB -1.436 39.427 40.800 0.105 0.000 1.084 372 D HN 0.786 nan 8.370 nan 0.000 0.429 373 H N -0.266 118.859 119.070 0.092 0.000 3.086 373 H HA 0.412 4.941 4.556 -0.044 0.000 0.353 373 H C -1.296 174.108 175.328 0.127 0.000 1.134 373 H CA -0.806 55.295 56.048 0.088 0.000 1.248 373 H CB 1.372 31.174 29.762 0.066 0.000 1.878 373 H HN -0.071 nan 8.280 nan 0.000 0.527 374 K N 3.790 123.854 120.400 -0.560 0.000 2.334 374 K HA 0.469 4.762 4.320 -0.044 0.000 0.265 374 K C -0.260 176.035 176.600 -0.509 0.000 1.039 374 K CA -0.639 55.460 56.287 -0.313 0.000 0.920 374 K CB 0.595 33.030 32.500 -0.108 0.000 1.160 374 K HN 0.794 nan 8.250 nan 0.000 0.451 375 G N 2.281 110.986 108.800 -0.159 0.000 2.432 375 G HA2 0.229 4.162 3.960 -0.044 0.000 0.257 375 G HA3 0.229 4.162 3.960 -0.044 0.000 0.257 375 G C -0.314 174.680 174.900 0.156 0.000 1.238 375 G CA -0.249 44.888 45.100 0.061 0.000 0.838 375 G HN 0.638 nan 8.290 nan 0.000 0.547 376 T N -0.604 114.065 114.554 0.192 0.000 2.893 376 T HA 0.421 4.745 4.350 -0.044 0.000 0.291 376 T C 0.231 175.159 174.700 0.380 0.000 1.028 376 T CA -0.924 61.330 62.100 0.256 0.000 0.995 376 T CB 1.599 70.571 68.868 0.174 0.000 1.051 376 T HN 0.588 nan 8.240 nan 0.000 0.470 377 N N 0.633 119.585 118.700 0.421 0.000 2.727 377 N HA -0.134 4.580 4.740 -0.044 0.000 0.249 377 N C -0.607 175.096 175.510 0.321 0.000 1.048 377 N CA 0.418 53.719 53.050 0.419 0.000 0.714 377 N CB -1.117 37.581 38.487 0.351 0.000 0.959 377 N HN 0.745 nan 8.380 nan 0.000 0.544 378 I N 0.690 121.430 120.570 0.283 0.000 2.371 378 I HA 0.129 4.273 4.170 -0.044 0.000 0.290 378 I C 0.599 176.670 176.117 -0.077 0.000 1.028 378 I CA -0.204 61.179 61.300 0.139 0.000 1.345 378 I CB 0.964 39.100 38.000 0.226 0.000 1.407 378 I HN 0.079 nan 8.210 nan 0.000 0.501 379 c N 7.321 125.743 118.600 -0.298 0.000 2.441 379 c HA 0.495 5.039 4.570 -0.044 0.000 0.318 379 c C -2.291 171.371 174.090 -0.712 0.000 1.222 379 c CA -1.383 54.694 56.329 -0.419 0.000 1.474 379 c CB 1.713 44.033 42.510 -0.315 0.000 2.125 379 c HN 0.455 nan 8.230 nan 0.000 0.479 380 P HA 0.278 nan 4.420 nan 0.000 0.277 380 P C -0.181 177.071 177.300 -0.079 0.000 1.271 380 P CA -0.122 62.506 63.100 -0.787 0.000 0.795 380 P CB 0.586 31.670 31.700 -1.027 0.000 1.101 381 S N -0.312 115.428 115.700 0.066 0.000 2.661 381 S HA 0.404 4.848 4.470 -0.044 0.000 0.265 381 S C 1.414 176.211 174.600 0.327 0.000 1.225 381 S CA 0.109 58.407 58.200 0.162 0.000 0.986 381 S CB -0.085 63.164 63.200 0.082 0.000 1.008 381 S HN 0.440 nan 8.310 nan 0.000 0.565 382 A N 0.362 123.385 122.820 0.338 0.000 2.019 382 A HA -0.025 4.268 4.320 -0.044 0.000 0.219 382 A C 2.143 180.025 177.584 0.497 0.000 1.164 382 A CA 1.416 53.704 52.037 0.418 0.000 0.644 382 A CB -1.018 18.291 19.000 0.515 0.000 0.805 382 A HN 0.832 nan 8.150 nan 0.000 0.449 383 M N -0.831 118.910 119.600 0.236 0.000 2.557 383 M HA 0.145 4.598 4.480 -0.044 0.000 0.259 383 M C 1.200 177.756 176.300 0.426 0.000 1.086 383 M CA 0.713 56.157 55.300 0.241 0.000 1.096 383 M CB -0.573 32.037 32.600 0.016 0.000 1.424 383 M HN 0.592 nan 8.290 nan 0.000 0.488 384 G N 0.215 109.241 108.800 0.376 0.000 2.814 384 G HA2 -0.250 3.683 3.960 -0.044 0.000 0.677 384 G HA3 -0.250 3.683 3.960 -0.044 0.000 0.677 384 G C -0.348 174.773 174.900 0.368 0.000 1.429 384 G CA -0.802 44.462 45.100 0.275 0.000 0.868 384 G HN 0.245 nan 8.290 nan 0.000 0.553 385 F N 1.211 121.162 119.950 0.000 0.000 2.797 385 F HA 0.314 4.814 4.527 -0.045 0.000 0.302 385 F C 1.304 177.148 175.800 0.072 0.000 1.130 385 F CA 0.735 58.751 58.000 0.026 0.000 1.387 385 F CB -0.074 38.903 39.000 -0.038 0.000 1.107 385 F HN 0.654 nan 8.300 nan 0.000 0.577 386 H N -0.381 118.772 119.070 0.137 0.000 3.129 386 H HA 0.240 4.770 4.556 -0.044 0.000 0.342 386 H C -1.079 174.237 175.328 -0.020 0.000 1.092 386 H CA -0.335 55.726 56.048 0.022 0.000 1.310 386 H CB 1.531 31.272 29.762 -0.034 0.000 1.932 386 H HN -0.034 nan 8.280 nan 0.000 0.507 387 N N 1.075 119.781 118.700 0.008 0.000 3.384 387 N HA -0.034 4.680 4.740 -0.044 0.000 0.352 387 N C 0.763 176.310 175.510 0.062 0.000 1.466 387 N CA 0.079 53.093 53.050 -0.060 0.000 0.629 387 N CB 0.895 38.962 38.487 -0.700 0.000 1.810 387 N HN 0.665 nan 8.380 nan 0.000 0.575 388 Q N 0.074 119.870 119.800 -0.008 0.000 2.561 388 Q HA 0.179 4.493 4.340 -0.044 0.000 0.217 388 Q C 0.600 176.823 176.000 0.372 0.000 0.980 388 Q CA 0.436 56.413 55.803 0.288 0.000 0.927 388 Q CB -0.887 28.123 28.738 0.454 0.000 0.980 388 Q HN 0.455 nan 8.270 nan 0.000 0.525 389 G N 0.132 108.987 108.800 0.093 0.000 2.491 389 G HA2 0.366 4.300 3.960 -0.044 0.000 0.242 389 G HA3 0.366 4.300 3.960 -0.044 0.000 0.242 389 G C -0.888 174.073 174.900 0.102 0.000 1.266 389 G CA -0.581 44.571 45.100 0.085 0.000 0.844 389 G HN 0.171 nan 8.290 nan 0.000 0.571 390 V N 3.682 123.532 119.914 -0.107 0.000 2.350 390 V HA 0.197 4.291 4.120 -0.044 0.000 0.276 390 V C -0.328 175.694 176.094 -0.120 0.000 1.028 390 V CA -0.787 61.304 62.300 -0.348 0.000 0.860 390 V CB 1.113 32.425 31.823 -0.852 0.000 0.990 390 V HN 0.684 nan 8.190 nan 0.000 0.453 391 D N 2.554 122.987 120.400 0.055 0.000 2.387 391 D HA 0.535 5.148 4.640 -0.044 0.000 0.251 391 D C 0.244 176.736 176.300 0.319 0.000 1.141 391 D CA -0.054 54.072 54.000 0.211 0.000 0.987 391 D CB 1.765 42.704 40.800 0.232 0.000 1.116 391 D HN 0.626 nan 8.370 nan 0.000 0.491 392 S N -0.574 115.386 115.700 0.432 0.000 2.607 392 S HA 0.579 5.022 4.470 -0.044 0.000 0.303 392 S C -1.163 173.718 174.600 0.469 0.000 1.086 392 S CA -0.875 57.644 58.200 0.532 0.000 0.995 392 S CB 1.679 65.268 63.200 0.648 0.000 1.084 392 S HN 0.468 nan 8.310 nan 0.000 0.507 393 Y N 1.237 121.707 120.300 0.282 0.000 2.391 393 Y HA 0.529 5.052 4.550 -0.044 0.000 0.341 393 Y C -1.297 174.657 175.900 0.091 0.000 0.965 393 Y CA -0.938 57.220 58.100 0.098 0.000 1.067 393 Y CB 1.670 40.181 38.460 0.085 0.000 1.199 393 Y HN 0.860 nan 8.280 nan 0.000 0.450 394 D N 8.573 128.543 120.400 -0.716 0.000 2.359 394 D HA 0.298 4.912 4.640 -0.044 0.000 0.230 394 D C -1.924 173.816 176.300 -0.933 0.000 1.118 394 D CA -2.657 50.855 54.000 -0.814 0.000 0.844 394 D CB 1.776 41.971 40.800 -1.009 0.000 1.059 394 D HN 0.368 nan 8.370 nan 0.000 0.493 395 P HA -0.130 nan 4.420 nan 0.000 0.220 395 P C 0.756 177.975 177.300 -0.135 0.000 1.148 395 P CA 0.952 63.899 63.100 -0.254 0.000 0.803 395 P CB 0.632 32.384 31.700 0.085 0.000 0.782 396 E N 0.532 120.666 120.200 -0.111 0.000 2.016 396 E HA -0.086 4.237 4.350 -0.044 0.000 0.190 396 E C 2.227 178.788 176.600 -0.065 0.000 0.985 396 E CA 1.750 58.128 56.400 -0.038 0.000 0.802 396 E CB -0.289 29.424 29.700 0.022 0.000 0.762 396 E HN 0.299 nan 8.360 nan 0.000 0.448 397 S N 0.068 115.699 115.700 -0.115 0.000 2.562 397 S HA 0.031 4.475 4.470 -0.044 0.000 0.221 397 S C 0.475 174.997 174.600 -0.131 0.000 0.975 397 S CA -0.139 58.010 58.200 -0.086 0.000 0.918 397 S CB -0.058 63.115 63.200 -0.045 0.000 0.772 397 S HN 0.166 nan 8.310 nan 0.000 0.531 398 R N 0.924 121.276 120.500 -0.248 0.000 3.152 398 R HA -0.096 4.217 4.340 -0.044 0.000 0.252 398 R C -1.095 175.114 176.300 -0.151 0.000 0.930 398 R CA 0.883 56.866 56.100 -0.195 0.000 0.642 398 R CB -2.751 27.578 30.300 0.048 0.000 1.205 398 R HN 0.497 nan 8.270 nan 0.000 0.452 399 T N 0.877 115.178 114.554 -0.421 0.000 2.893 399 T HA 0.530 4.853 4.350 -0.044 0.000 0.293 399 T C -0.595 173.747 174.700 -0.597 0.000 1.027 399 T CA -0.783 61.048 62.100 -0.447 0.000 0.988 399 T CB 2.216 70.737 68.868 -0.579 0.000 1.043 399 T HN 0.230 nan 8.240 nan 0.000 0.461 400 L N 3.207 124.195 121.223 -0.391 0.000 2.296 400 L HA 0.573 4.886 4.340 -0.044 0.000 0.286 400 L C -1.574 175.002 176.870 -0.490 0.000 1.023 400 L CA -0.555 54.136 54.840 -0.248 0.000 0.812 400 L CB 0.502 42.575 42.059 0.023 0.000 1.223 400 L HN 0.608 nan 8.230 nan 0.000 0.421 401 Y N 4.878 125.209 120.300 0.053 0.000 2.504 401 Y HA 0.653 5.176 4.550 -0.045 0.000 0.339 401 Y C 0.520 176.451 175.900 0.052 0.000 0.974 401 Y CA -0.642 57.439 58.100 -0.031 0.000 1.232 401 Y CB 0.840 39.341 38.460 0.069 0.000 1.108 401 Y HN 0.692 nan 8.280 nan 0.000 0.509 402 A N 2.174 125.067 122.820 0.122 0.000 2.301 402 A HA 0.696 4.990 4.320 -0.044 0.000 0.298 402 A C 0.621 178.225 177.584 0.033 0.000 1.185 402 A CA -0.378 51.756 52.037 0.161 0.000 0.830 402 A CB 0.310 19.481 19.000 0.285 0.000 1.112 402 A HN 0.858 nan 8.150 nan 0.000 0.508 403 G N 2.104 110.888 108.800 -0.027 0.000 2.393 403 G HA2 0.522 4.455 3.960 -0.044 0.000 0.311 403 G HA3 0.522 4.455 3.960 -0.044 0.000 0.311 403 G C -0.336 174.416 174.900 -0.247 0.000 1.067 403 G CA -0.287 44.739 45.100 -0.125 0.000 1.000 403 G HN 0.645 nan 8.290 nan 0.000 0.422 404 L N 1.856 122.987 121.223 -0.153 0.000 2.332 404 L HA 0.488 4.801 4.340 -0.044 0.000 0.269 404 L C 0.101 176.950 176.870 -0.035 0.000 1.016 404 L CA -1.087 53.679 54.840 -0.122 0.000 0.809 404 L CB 1.969 43.966 42.059 -0.104 0.000 1.280 404 L HN 0.465 nan 8.230 nan 0.000 0.447 405 N N -1.267 117.456 118.700 0.037 0.000 2.370 405 N HA 0.378 5.091 4.740 -0.044 0.000 0.303 405 N C -1.213 174.293 175.510 -0.007 0.000 1.103 405 N CA -0.698 52.451 53.050 0.164 0.000 0.848 405 N CB 1.620 40.314 38.487 0.344 0.000 1.235 405 N HN 0.487 nan 8.380 nan 0.000 0.496 406 H N 1.850 120.867 119.070 -0.087 0.000 2.423 406 H HA 0.490 5.019 4.556 -0.045 0.000 0.237 406 H C -1.459 173.892 175.328 0.038 0.000 1.391 406 H CA -0.308 55.587 56.048 -0.254 0.000 1.453 406 H CB -0.161 29.561 29.762 -0.067 0.000 1.484 406 H HN 0.455 nan 8.280 nan 0.000 0.505 407 I N 2.854 123.472 120.570 0.081 0.000 2.569 407 I HA 0.333 4.476 4.170 -0.044 0.000 0.290 407 I C -0.443 175.747 176.117 0.121 0.000 1.088 407 I CA -0.640 60.708 61.300 0.080 0.000 1.047 407 I CB 1.841 39.904 38.000 0.105 0.000 1.237 407 I HN 0.437 nan 8.210 nan 0.000 0.421 408 c N 5.265 123.817 118.600 -0.079 0.000 2.967 408 c HA 0.882 5.426 4.570 -0.044 0.000 0.372 408 c C -0.087 173.699 174.090 -0.507 0.000 1.455 408 c CA -0.573 55.668 56.329 -0.146 0.000 1.638 408 c CB 1.865 44.373 42.510 -0.005 0.000 2.096 408 c HN 0.894 nan 8.230 nan 0.000 0.466 409 M N -0.047 119.358 119.600 -0.325 0.000 2.880 409 M HA 0.626 5.079 4.480 -0.044 0.000 0.269 409 M C -2.524 173.857 176.300 0.135 0.000 1.248 409 M CA -0.319 54.815 55.300 -0.278 0.000 0.821 409 M CB 1.828 34.444 32.600 0.027 0.000 1.650 409 M HN 0.365 nan 8.290 nan 0.000 0.479 410 D N 0.936 121.484 120.400 0.247 0.000 2.342 410 D HA 0.650 5.264 4.640 -0.044 0.000 0.243 410 D C -1.880 174.654 176.300 0.390 0.000 1.019 410 D CA 0.394 54.593 54.000 0.332 0.000 0.864 410 D CB 2.332 43.323 40.800 0.318 0.000 1.315 410 D HN 0.638 nan 8.370 nan 0.000 0.468 411 W N 2.164 123.543 121.300 0.131 0.000 3.425 411 W HA 0.367 5.000 4.660 -0.045 0.000 0.318 411 W C -1.813 174.757 176.519 0.085 0.000 1.201 411 W CA -0.650 56.772 57.345 0.128 0.000 1.212 411 W CB 1.230 30.773 29.460 0.139 0.000 1.355 411 W HN 0.444 nan 8.180 nan 0.000 0.515 412 E N 7.793 128.176 120.200 0.306 0.000 2.278 412 E HA 0.494 4.817 4.350 -0.044 0.000 0.272 412 E C -2.673 174.000 176.600 0.121 0.000 0.890 412 E CA -1.781 54.784 56.400 0.274 0.000 0.770 412 E CB 3.307 33.100 29.700 0.156 0.000 1.212 412 E HN 0.013 nan 8.360 nan 0.000 0.415 413 P HA 0.390 nan 4.420 nan 0.000 0.281 413 P C -1.044 176.327 177.300 0.118 0.000 1.281 413 P CA -0.461 62.668 63.100 0.048 0.000 0.811 413 P CB 0.619 32.413 31.700 0.158 0.000 1.154 414 F N -2.336 117.619 119.950 0.009 0.000 2.654 414 F HA 0.518 5.019 4.527 -0.044 0.000 0.308 414 F C -0.828 174.980 175.800 0.012 0.000 1.108 414 F CA -1.613 56.392 58.000 0.009 0.000 0.957 414 F CB 0.584 39.574 39.000 -0.017 0.000 1.309 414 F HN -0.032 nan 8.300 nan 0.000 0.446 415 M N 4.328 124.092 119.600 0.274 0.000 2.243 415 M HA 0.605 5.059 4.480 -0.044 0.000 0.341 415 M C -0.355 176.124 176.300 0.299 0.000 1.130 415 M CA -0.287 55.126 55.300 0.189 0.000 1.162 415 M CB 0.762 33.457 32.600 0.158 0.000 1.497 415 M HN 0.879 nan 8.290 nan 0.000 0.456 416 L N 1.763 123.115 121.223 0.215 0.000 2.653 416 L HA 0.803 5.116 4.340 -0.044 0.000 0.257 416 L C -2.940 174.114 176.870 0.307 0.000 0.969 416 L CA -1.516 53.489 54.840 0.274 0.000 0.869 416 L CB 2.222 44.474 42.059 0.320 0.000 1.439 416 L HN 0.433 nan 8.230 nan 0.000 0.414 417 P HA 0.281 nan 4.420 nan 0.000 0.280 417 P C -1.871 175.547 177.300 0.197 0.000 1.272 417 P CA -0.250 62.976 63.100 0.210 0.000 0.819 417 P CB 1.245 33.006 31.700 0.101 0.000 1.122 418 Y N 1.202 121.416 120.300 -0.145 0.000 2.341 418 Y HA 0.544 5.067 4.550 -0.045 0.000 0.337 418 Y C -0.135 175.603 175.900 -0.269 0.000 1.014 418 Y CA -0.807 56.994 58.100 -0.499 0.000 1.111 418 Y CB 1.262 39.181 38.460 -0.902 0.000 1.194 418 Y HN 0.364 nan 8.280 nan 0.000 0.462 419 R N 4.974 124.840 120.500 -1.056 0.000 2.518 419 R HA 0.681 4.995 4.340 -0.044 0.000 0.296 419 R C -1.267 174.455 176.300 -0.963 0.000 1.080 419 R CA -0.648 54.965 56.100 -0.812 0.000 0.922 419 R CB 0.975 31.060 30.300 -0.359 0.000 1.184 419 R HN 0.919 nan 8.270 nan 0.000 0.445 420 A N 2.363 124.620 122.820 -0.939 0.000 2.580 420 A HA 0.368 4.661 4.320 -0.044 0.000 0.244 420 A C 1.336 178.739 177.584 -0.301 0.000 1.045 420 A CA 1.366 53.105 52.037 -0.496 0.000 0.761 420 A CB -0.326 18.560 19.000 -0.190 0.000 0.962 420 A HN 1.297 nan 8.150 nan 0.000 0.512 421 G N 1.192 109.851 108.800 -0.236 0.000 2.213 421 G HA2 -0.162 3.771 3.960 -0.044 0.000 0.226 421 G HA3 -0.162 3.771 3.960 -0.044 0.000 0.226 421 G C 0.129 174.902 174.900 -0.211 0.000 0.992 421 G CA 0.315 45.302 45.100 -0.189 0.000 0.632 421 G HN 0.876 nan 8.290 nan 0.000 0.511 422 Q N -0.375 119.285 119.800 -0.233 0.000 2.257 422 Q HA 0.683 4.996 4.340 -0.044 0.000 0.262 422 Q C -0.117 175.806 176.000 -0.128 0.000 0.997 422 Q CA -0.880 54.837 55.803 -0.143 0.000 0.873 422 Q CB 1.170 29.846 28.738 -0.103 0.000 1.312 422 Q HN 0.186 nan 8.270 nan 0.000 0.450 423 F N 1.097 121.030 119.950 -0.029 0.000 2.553 423 F HA 0.027 4.528 4.527 -0.044 0.000 0.356 423 F C 0.693 176.571 175.800 0.129 0.000 1.142 423 F CA 0.414 58.416 58.000 0.004 0.000 1.322 423 F CB 0.307 39.262 39.000 -0.075 0.000 1.126 423 F HN 0.396 nan 8.300 nan 0.000 0.599 424 F N 3.746 123.756 119.950 0.099 0.000 2.593 424 F HA 0.393 4.893 4.527 -0.045 0.000 0.336 424 F C -0.317 175.469 175.800 -0.023 0.000 1.491 424 F CA -0.607 57.438 58.000 0.076 0.000 1.114 424 F CB -0.358 38.748 39.000 0.178 0.000 1.468 424 F HN 0.181 nan 8.300 nan 0.000 0.579 425 V N 1.188 120.953 119.914 -0.248 0.000 2.398 425 V HA 0.304 4.397 4.120 -0.044 0.000 0.236 425 V C 1.682 177.366 176.094 -0.683 0.000 1.054 425 V CA 1.101 63.008 62.300 -0.655 0.000 1.060 425 V CB -0.987 30.312 31.823 -0.872 0.000 0.707 425 V HN 0.726 nan 8.190 nan 0.000 0.480 426 G N 0.354 108.662 108.800 -0.819 0.000 2.248 426 G HA2 0.194 4.127 3.960 -0.044 0.000 0.263 426 G HA3 0.194 4.127 3.960 -0.044 0.000 0.263 426 G C -0.102 173.992 174.900 -1.343 0.000 1.082 426 G CA 0.387 44.588 45.100 -1.498 0.000 0.863 426 G HN 1.454 nan 8.290 nan 0.000 0.495 427 A N -1.337 120.915 122.820 -0.947 0.000 2.594 427 A HA 0.919 5.212 4.320 -0.044 0.000 0.296 427 A C -0.374 177.067 177.584 -0.238 0.000 1.061 427 A CA 0.464 52.166 52.037 -0.558 0.000 0.689 427 A CB 1.616 20.099 19.000 -0.861 0.000 1.280 427 A HN 1.610 nan 8.150 nan 0.000 0.406 428 T N 1.533 116.007 114.554 -0.133 0.000 2.792 428 T HA 0.656 4.979 4.350 -0.044 0.000 0.280 428 T C -1.101 173.564 174.700 -0.060 0.000 0.990 428 T CA -0.214 61.869 62.100 -0.029 0.000 0.960 428 T CB -0.018 68.885 68.868 0.058 0.000 0.939 428 T HN 0.545 nan 8.240 nan 0.000 0.439 429 L N 3.235 124.468 121.223 0.016 0.000 2.283 429 L HA 0.963 5.276 4.340 -0.044 0.000 0.259 429 L C -0.297 176.661 176.870 0.147 0.000 1.027 429 L CA -0.878 54.033 54.840 0.118 0.000 0.828 429 L CB 1.896 44.074 42.059 0.198 0.000 1.380 429 L HN 0.810 nan 8.230 nan 0.000 0.425 430 A N 1.688 124.614 122.820 0.176 0.000 2.408 430 A HA 0.879 5.172 4.320 -0.044 0.000 0.295 430 A C -1.052 176.585 177.584 0.087 0.000 1.040 430 A CA -0.409 51.736 52.037 0.181 0.000 0.707 430 A CB 1.169 20.319 19.000 0.250 0.000 1.235 430 A HN 0.609 nan 8.150 nan 0.000 0.418 431 M N 1.990 121.609 119.600 0.032 0.000 2.602 431 M HA 0.736 5.190 4.480 -0.044 0.000 0.312 431 M C -1.048 175.177 176.300 -0.125 0.000 1.181 431 M CA -0.591 54.582 55.300 -0.211 0.000 0.910 431 M CB 2.187 34.735 32.600 -0.086 0.000 1.723 431 M HN 0.830 nan 8.290 nan 0.000 0.459 432 Y N -1.019 119.301 120.300 0.033 0.000 2.689 432 Y HA 0.692 5.216 4.550 -0.044 0.000 0.333 432 Y C -3.194 172.694 175.900 -0.019 0.000 1.208 432 Y CA -3.069 55.027 58.100 -0.007 0.000 1.055 432 Y CB -0.487 37.982 38.460 0.015 0.000 1.304 432 Y HN 0.376 nan 8.280 nan 0.000 0.455 433 P HA 0.193 nan 4.420 nan 0.000 0.268 433 P C 0.311 177.689 177.300 0.129 0.000 1.208 433 P CA 0.603 63.767 63.100 0.107 0.000 0.777 433 P CB 0.631 32.377 31.700 0.077 0.000 0.875 434 G N 2.661 111.426 108.800 -0.059 0.000 2.651 434 G HA2 0.190 4.123 3.960 -0.044 0.000 0.260 434 G HA3 0.190 4.123 3.960 -0.044 0.000 0.260 434 G C -1.574 173.368 174.900 0.070 0.000 1.216 434 G CA -0.855 44.051 45.100 -0.322 0.000 0.913 434 G HN 0.367 nan 8.290 nan 0.000 0.535 435 P HA 0.033 nan 4.420 nan 0.000 0.245 435 P C 0.417 177.831 177.300 0.191 0.000 1.206 435 P CA 0.381 63.583 63.100 0.169 0.000 0.781 435 P CB 0.491 32.264 31.700 0.122 0.000 0.994 436 N N 0.086 119.032 118.700 0.409 0.000 2.230 436 N HA 0.092 4.805 4.740 -0.044 0.000 0.202 436 N C 1.132 176.422 175.510 -0.367 0.000 1.119 436 N CA 0.136 53.241 53.050 0.093 0.000 0.851 436 N CB 0.224 38.818 38.487 0.178 0.000 0.990 436 N HN 0.109 nan 8.380 nan 0.000 0.497 437 G N 1.597 110.080 108.800 -0.529 0.000 2.544 437 G HA2 0.152 4.086 3.960 -0.044 0.000 0.242 437 G HA3 0.152 4.086 3.960 -0.044 0.000 0.242 437 G C -1.405 172.983 174.900 -0.853 0.000 1.247 437 G CA -0.742 43.613 45.100 -1.241 0.000 0.840 437 G HN -0.035 nan 8.290 nan 0.000 0.578 438 P HA -0.107 nan 4.420 nan 0.000 0.216 438 P C 1.754 178.863 177.300 -0.319 0.000 1.150 438 P CA 2.241 65.023 63.100 -0.530 0.000 0.843 438 P CB 0.228 31.640 31.700 -0.480 0.000 0.787 439 T N -5.759 108.618 114.554 -0.294 0.000 3.129 439 T HA 0.296 4.619 4.350 -0.044 0.000 0.267 439 T C 0.501 175.106 174.700 -0.158 0.000 1.018 439 T CA -0.536 61.454 62.100 -0.184 0.000 0.903 439 T CB -0.623 68.158 68.868 -0.146 0.000 1.067 439 T HN 0.010 nan 8.240 nan 0.000 0.549 440 K N 0.611 120.894 120.400 -0.196 0.000 3.130 440 K HA -0.213 4.080 4.320 -0.044 0.000 0.282 440 K C 0.622 177.177 176.600 -0.075 0.000 1.145 440 K CA 1.151 57.367 56.287 -0.119 0.000 0.831 440 K CB -1.206 31.250 32.500 -0.073 0.000 1.226 440 K HN 0.475 nan 8.250 nan 0.000 0.478 441 K N 0.132 120.468 120.400 -0.106 0.000 2.502 441 K HA 0.064 4.358 4.320 -0.044 0.000 0.211 441 K C -0.248 176.304 176.600 -0.080 0.000 1.259 441 K CA -0.201 56.039 56.287 -0.078 0.000 0.983 441 K CB 0.575 33.019 32.500 -0.094 0.000 1.054 441 K HN 0.080 nan 8.250 nan 0.000 0.572 442 E N 1.052 121.201 120.200 -0.084 0.000 2.392 442 E HA 0.074 4.397 4.350 -0.044 0.000 0.264 442 E C 0.420 177.128 176.600 0.181 0.000 1.024 442 E CA 0.600 57.009 56.400 0.016 0.000 0.903 442 E CB 0.556 30.293 29.700 0.062 0.000 0.963 442 E HN 0.102 nan 8.360 nan 0.000 0.432 443 M N 1.259 120.953 119.600 0.156 0.000 2.347 443 M HA 0.282 4.735 4.480 -0.044 0.000 0.324 443 M C 0.387 176.839 176.300 0.252 0.000 1.028 443 M CA -0.079 55.343 55.300 0.203 0.000 0.988 443 M CB 1.162 33.798 32.600 0.060 0.000 1.528 443 M HN 0.493 nan 8.290 nan 0.000 0.550 444 G N 0.678 109.622 108.800 0.240 0.000 2.563 444 G HA2 0.786 4.719 3.960 -0.044 0.000 0.302 444 G HA3 0.786 4.719 3.960 -0.044 0.000 0.302 444 G C -1.434 173.437 174.900 -0.049 0.000 1.301 444 G CA -0.255 44.934 45.100 0.147 0.000 0.965 444 G HN 0.201 nan 8.290 nan 0.000 0.480 445 Q N -0.081 119.599 119.800 -0.200 0.000 2.353 445 Q HA 0.404 4.718 4.340 -0.044 0.000 0.275 445 Q C -1.317 174.506 176.000 -0.295 0.000 1.029 445 Q CA -0.833 54.712 55.803 -0.430 0.000 0.848 445 Q CB 2.974 31.263 28.738 -0.748 0.000 1.390 445 Q HN 0.361 nan 8.270 nan 0.000 0.401 446 I N 2.211 122.615 120.570 -0.277 0.000 2.390 446 I HA 0.424 4.567 4.170 -0.044 0.000 0.283 446 I C -0.550 175.445 176.117 -0.203 0.000 1.016 446 I CA -0.215 60.962 61.300 -0.206 0.000 1.151 446 I CB 1.171 39.057 38.000 -0.189 0.000 1.293 446 I HN 0.548 nan 8.210 nan 0.000 0.458 447 R N 4.620 124.923 120.500 -0.329 0.000 2.480 447 R HA 0.771 5.085 4.340 -0.044 0.000 0.306 447 R C -0.748 175.041 176.300 -0.852 0.000 0.958 447 R CA -0.490 55.243 56.100 -0.611 0.000 0.861 447 R CB 1.828 31.771 30.300 -0.595 0.000 1.171 447 R HN 0.694 nan 8.270 nan 0.000 0.445 448 A N 4.439 126.485 122.820 -1.290 0.000 2.331 448 A HA 0.582 4.876 4.320 -0.044 0.000 0.283 448 A C -1.175 175.809 177.584 -1.000 0.000 1.142 448 A CA -0.139 51.191 52.037 -1.177 0.000 0.812 448 A CB 0.199 18.188 19.000 -1.686 0.000 1.074 448 A HN 0.605 nan 8.150 nan 0.000 0.497 449 F N 0.532 120.209 119.950 -0.455 0.000 2.588 449 F HA 0.349 4.850 4.527 -0.044 0.000 0.314 449 F C 0.067 175.728 175.800 -0.233 0.000 1.069 449 F CA -0.700 57.126 58.000 -0.291 0.000 0.931 449 F CB 2.054 40.922 39.000 -0.219 0.000 1.260 449 F HN 0.579 nan 8.300 nan 0.000 0.465 450 D N 2.781 123.221 120.400 0.067 0.000 2.274 450 D HA 0.234 4.847 4.640 -0.044 0.000 0.239 450 D C 0.651 176.967 176.300 0.026 0.000 1.104 450 D CA -0.058 53.953 54.000 0.017 0.000 0.840 450 D CB 1.282 42.083 40.800 0.000 0.000 1.100 450 D HN 0.571 nan 8.370 nan 0.000 0.477 451 L N 2.904 124.131 121.223 0.007 0.000 2.376 451 L HA -0.077 4.236 4.340 -0.044 0.000 0.219 451 L C 2.305 179.136 176.870 -0.065 0.000 1.133 451 L CA 0.980 55.789 54.840 -0.051 0.000 0.816 451 L CB -0.303 41.707 42.059 -0.080 0.000 0.933 451 L HN 0.496 nan 8.230 nan 0.000 0.449 452 T N -5.325 109.206 114.554 -0.039 0.000 3.081 452 T HA -0.034 4.289 4.350 -0.044 0.000 0.255 452 T C 1.520 176.191 174.700 -0.048 0.000 1.113 452 T CA 0.983 63.054 62.100 -0.048 0.000 1.082 452 T CB -0.065 68.784 68.868 -0.031 0.000 0.939 452 T HN 0.391 nan 8.240 nan 0.000 0.506 453 T N -3.720 110.811 114.554 -0.038 0.000 2.966 453 T HA 0.493 4.816 4.350 -0.044 0.000 0.254 453 T C 1.879 176.556 174.700 -0.039 0.000 0.961 453 T CA 0.676 62.755 62.100 -0.035 0.000 0.915 453 T CB -0.113 68.744 68.868 -0.018 0.000 1.186 453 T HN 0.878 nan 8.240 nan 0.000 0.505 454 G N 2.102 110.879 108.800 -0.038 0.000 2.162 454 G HA2 -0.217 3.717 3.960 -0.044 0.000 0.260 454 G HA3 -0.217 3.717 3.960 -0.044 0.000 0.260 454 G C -0.055 174.900 174.900 0.091 0.000 0.976 454 G CA 0.123 45.188 45.100 -0.059 0.000 0.655 454 G HN 0.610 nan 8.290 nan 0.000 0.533 455 K N 0.616 121.080 120.400 0.107 0.000 2.174 455 K HA 0.717 5.010 4.320 -0.044 0.000 0.275 455 K C 0.641 177.302 176.600 0.101 0.000 1.015 455 K CA 0.239 56.591 56.287 0.108 0.000 0.933 455 K CB 1.517 34.033 32.500 0.026 0.000 1.025 455 K HN 0.605 nan 8.250 nan 0.000 0.463 456 A N 2.500 125.290 122.820 -0.050 0.000 2.340 456 A HA 0.214 4.507 4.320 -0.044 0.000 0.268 456 A C 0.713 178.120 177.584 -0.295 0.000 1.100 456 A CA -0.126 51.648 52.037 -0.439 0.000 0.803 456 A CB 0.402 19.059 19.000 -0.572 0.000 1.043 456 A HN 0.724 nan 8.150 nan 0.000 0.488 457 K N 0.812 120.971 120.400 -0.401 0.000 2.287 457 K HA 0.162 4.455 4.320 -0.044 0.000 0.199 457 K C -0.058 176.522 176.600 -0.033 0.000 1.061 457 K CA 0.690 56.855 56.287 -0.203 0.000 0.976 457 K CB 0.411 32.781 32.500 -0.217 0.000 0.898 457 K HN 0.885 nan 8.250 nan 0.000 0.492 458 W N -0.479 120.710 121.300 -0.184 0.000 2.982 458 W HA 0.403 5.036 4.660 -0.044 0.000 0.344 458 W C -1.698 174.692 176.519 -0.215 0.000 1.215 458 W CA -0.802 56.454 57.345 -0.149 0.000 1.182 458 W CB 0.694 30.104 29.460 -0.084 0.000 1.437 458 W HN -0.380 nan 8.180 nan 0.000 0.570 459 T N 2.114 116.859 114.554 0.319 0.000 2.952 459 T HA 0.360 4.683 4.350 -0.044 0.000 0.305 459 T C -1.215 173.557 174.700 0.121 0.000 1.064 459 T CA -0.714 61.433 62.100 0.079 0.000 1.008 459 T CB 2.558 71.302 68.868 -0.206 0.000 1.078 459 T HN 0.434 nan 8.240 nan 0.000 0.459 460 K N 2.280 122.708 120.400 0.047 0.000 2.413 460 K HA 0.446 4.739 4.320 -0.044 0.000 0.257 460 K C -1.356 175.190 176.600 -0.090 0.000 0.946 460 K CA -0.717 55.593 56.287 0.038 0.000 0.823 460 K CB 1.238 33.783 32.500 0.076 0.000 1.109 460 K HN 0.522 nan 8.250 nan 0.000 0.427 461 W N 2.437 123.733 121.300 -0.006 0.000 2.303 461 W HA 0.294 4.928 4.660 -0.044 0.000 0.334 461 W C 0.316 176.833 176.519 -0.003 0.000 1.197 461 W CA -0.227 57.100 57.345 -0.030 0.000 1.262 461 W CB 1.009 30.432 29.460 -0.063 0.000 1.153 461 W HN 0.338 nan 8.180 nan 0.000 0.596 462 E N 1.261 121.616 120.200 0.259 0.000 2.317 462 E HA 0.092 4.416 4.350 -0.044 0.000 0.270 462 E C 0.616 177.296 176.600 0.133 0.000 0.885 462 E CA -0.762 55.751 56.400 0.188 0.000 0.760 462 E CB 2.292 32.121 29.700 0.215 0.000 1.227 462 E HN 0.455 nan 8.360 nan 0.000 0.434 463 K N 1.898 122.295 120.400 -0.005 0.000 2.032 463 K HA -0.056 4.237 4.320 -0.044 0.000 0.209 463 K C 0.033 176.406 176.600 -0.379 0.000 1.048 463 K CA 1.376 57.498 56.287 -0.276 0.000 0.927 463 K CB 0.129 32.322 32.500 -0.513 0.000 0.712 463 K HN 0.251 nan 8.250 nan 0.000 0.441 464 F N 0.079 120.115 119.950 0.144 0.000 2.497 464 F HA 0.448 4.948 4.527 -0.044 0.000 0.331 464 F C 0.306 176.281 175.800 0.293 0.000 1.060 464 F CA -1.272 56.867 58.000 0.232 0.000 0.989 464 F CB 1.006 40.180 39.000 0.291 0.000 1.245 464 F HN -0.047 nan 8.300 nan 0.000 0.486 465 A N 0.835 124.031 122.820 0.627 0.000 2.561 465 A HA 0.403 4.697 4.320 -0.044 0.000 0.234 465 A C 0.098 177.971 177.584 0.481 0.000 1.055 465 A CA 0.035 52.392 52.037 0.533 0.000 0.756 465 A CB -0.469 18.970 19.000 0.731 0.000 0.986 465 A HN 0.919 nan 8.150 nan 0.000 0.505 466 A N 2.729 125.750 122.820 0.335 0.000 2.922 466 A HA 0.291 4.585 4.320 -0.044 0.000 0.298 466 A C 0.749 178.514 177.584 0.302 0.000 1.588 466 A CA -0.487 51.716 52.037 0.277 0.000 1.288 466 A CB -0.613 18.430 19.000 0.073 0.000 1.130 466 A HN 1.045 nan 8.150 nan 0.000 0.557 467 W N 2.314 123.727 121.300 0.189 0.000 2.453 467 W HA -0.083 4.551 4.660 -0.044 0.000 0.289 467 W C 1.602 178.250 176.519 0.214 0.000 1.215 467 W CA 1.597 59.057 57.345 0.190 0.000 1.297 467 W CB 0.074 29.650 29.460 0.195 0.000 1.113 467 W HN 0.717 nan 8.180 nan 0.000 0.551 468 G N 0.071 109.112 108.800 0.402 0.000 2.421 468 G HA2 0.256 4.190 3.960 -0.044 0.000 0.217 468 G HA3 0.256 4.190 3.960 -0.044 0.000 0.217 468 G C 0.653 175.682 174.900 0.216 0.000 1.143 468 G CA 1.049 46.346 45.100 0.328 0.000 0.784 468 G HN 0.497 nan 8.290 nan 0.000 0.541 469 G N -1.587 107.329 108.800 0.194 0.000 2.396 469 G HA2 0.403 4.337 3.960 -0.044 0.000 0.254 469 G HA3 0.403 4.337 3.960 -0.044 0.000 0.254 469 G C -0.258 174.799 174.900 0.262 0.000 1.248 469 G CA 0.232 45.421 45.100 0.149 0.000 1.033 469 G HN 1.386 nan 8.290 nan 0.000 0.502 470 T N -2.585 112.150 114.554 0.302 0.000 2.883 470 T HA 0.760 5.084 4.350 -0.044 0.000 0.301 470 T C -1.108 173.941 174.700 0.581 0.000 1.158 470 T CA -0.187 62.173 62.100 0.433 0.000 1.007 470 T CB 2.091 71.191 68.868 0.386 0.000 1.186 470 T HN 2.028 nan 8.240 nan 0.000 0.499 471 L N 1.860 123.418 121.223 0.558 0.000 2.365 471 L HA 0.782 5.095 4.340 -0.044 0.000 0.273 471 L C -1.772 175.383 176.870 0.475 0.000 1.000 471 L CA -0.938 54.172 54.840 0.451 0.000 0.819 471 L CB 1.838 44.022 42.059 0.208 0.000 1.284 471 L HN 0.872 nan 8.230 nan 0.000 0.418 472 Y N 3.364 123.856 120.300 0.321 0.000 2.335 472 Y HA 0.708 5.231 4.550 -0.045 0.000 0.338 472 Y C -0.460 175.588 175.900 0.246 0.000 0.977 472 Y CA -0.367 57.903 58.100 0.283 0.000 1.114 472 Y CB 1.564 40.215 38.460 0.318 0.000 1.182 472 Y HN 0.788 nan 8.280 nan 0.000 0.463 473 T N 2.246 116.366 114.554 -0.724 0.000 2.863 473 T HA 0.267 4.591 4.350 -0.044 0.000 0.285 473 T C 0.749 174.986 174.700 -0.772 0.000 1.009 473 T CA -1.047 60.770 62.100 -0.473 0.000 0.989 473 T CB 1.877 70.711 68.868 -0.057 0.000 1.004 473 T HN 0.810 nan 8.240 nan 0.000 0.455 474 K N 1.696 121.911 120.400 -0.308 0.000 2.293 474 K HA -0.113 4.181 4.320 -0.044 0.000 0.204 474 K C 2.008 178.581 176.600 -0.045 0.000 1.045 474 K CA 1.605 57.848 56.287 -0.073 0.000 0.933 474 K CB -0.825 31.698 32.500 0.039 0.000 0.736 474 K HN 0.873 nan 8.250 nan 0.000 0.463 475 G N -0.391 108.351 108.800 -0.097 0.000 2.708 475 G HA2 0.016 3.949 3.960 -0.044 0.000 0.210 475 G HA3 0.016 3.949 3.960 -0.044 0.000 0.210 475 G C 0.694 175.566 174.900 -0.046 0.000 1.141 475 G CA 0.408 45.477 45.100 -0.052 0.000 0.788 475 G HN 0.489 nan 8.290 nan 0.000 0.531 476 G N -0.881 107.893 108.800 -0.042 0.000 2.203 476 G HA2 -0.190 3.743 3.960 -0.044 0.000 0.231 476 G HA3 -0.190 3.743 3.960 -0.044 0.000 0.231 476 G C -0.072 174.815 174.900 -0.023 0.000 1.058 476 G CA 0.007 45.162 45.100 0.092 0.000 0.781 476 G HN 0.532 nan 8.290 nan 0.000 0.496 477 L N -0.442 120.663 121.223 -0.197 0.000 2.386 477 L HA 0.720 5.034 4.340 -0.044 0.000 0.271 477 L C 0.073 176.773 176.870 -0.283 0.000 0.993 477 L CA -1.435 53.200 54.840 -0.342 0.000 0.819 477 L CB 2.453 44.159 42.059 -0.589 0.000 1.294 477 L HN -0.068 nan 8.230 nan 0.000 0.414 478 V N 1.201 120.956 119.914 -0.265 0.000 2.334 478 V HA 0.321 4.414 4.120 -0.044 0.000 0.281 478 V C -0.951 175.155 176.094 0.020 0.000 1.016 478 V CA -0.453 61.825 62.300 -0.037 0.000 0.832 478 V CB 0.784 32.571 31.823 -0.060 0.000 0.999 478 V HN 0.558 nan 8.190 nan 0.000 0.439 479 W N 5.645 127.052 121.300 0.178 0.000 2.438 479 W HA 0.728 5.362 4.660 -0.044 0.000 0.324 479 W C -0.292 176.442 176.519 0.358 0.000 1.119 479 W CA -0.596 56.864 57.345 0.191 0.000 1.221 479 W CB 0.952 30.448 29.460 0.061 0.000 1.253 479 W HN 0.683 nan 8.180 nan 0.000 0.555 480 Y N -0.168 120.361 120.300 0.381 0.000 2.604 480 Y HA 0.811 5.334 4.550 -0.045 0.000 0.331 480 Y C -1.105 174.974 175.900 0.297 0.000 1.158 480 Y CA -2.264 56.024 58.100 0.313 0.000 1.056 480 Y CB 0.433 39.049 38.460 0.260 0.000 1.330 480 Y HN 0.606 nan 8.280 nan 0.000 0.457 481 A N 1.654 124.687 122.820 0.355 0.000 2.325 481 A HA 0.819 5.113 4.320 -0.044 0.000 0.333 481 A C -0.179 177.619 177.584 0.356 0.000 1.155 481 A CA -0.186 52.008 52.037 0.262 0.000 0.814 481 A CB 0.858 20.030 19.000 0.286 0.000 1.206 481 A HN 1.150 nan 8.150 nan 0.000 0.482 482 T N -0.475 114.255 114.554 0.294 0.000 2.940 482 T HA 0.525 4.849 4.350 -0.044 0.000 0.288 482 T C 0.901 175.771 174.700 0.284 0.000 1.033 482 T CA -0.705 61.606 62.100 0.353 0.000 1.033 482 T CB 0.785 69.866 68.868 0.355 0.000 1.079 482 T HN 0.370 nan 8.240 nan 0.000 0.496 483 L N 0.731 122.118 121.223 0.272 0.000 2.265 483 L HA -0.006 4.308 4.340 -0.044 0.000 0.215 483 L C 1.763 178.651 176.870 0.030 0.000 1.117 483 L CA 1.379 56.286 54.840 0.113 0.000 0.782 483 L CB -0.597 41.473 42.059 0.018 0.000 0.914 483 L HN 0.813 nan 8.230 nan 0.000 0.441 484 D N -1.158 119.327 120.400 0.141 0.000 2.340 484 D HA 0.095 4.708 4.640 -0.044 0.000 0.220 484 D C 1.334 177.708 176.300 0.123 0.000 1.039 484 D CA 0.721 54.807 54.000 0.143 0.000 0.866 484 D CB 0.248 41.218 40.800 0.283 0.000 0.913 484 D HN 0.199 nan 8.370 nan 0.000 0.523 485 G N -1.100 107.757 108.800 0.095 0.000 2.154 485 G HA2 -0.225 3.709 3.960 -0.044 0.000 0.186 485 G HA3 -0.225 3.709 3.960 -0.044 0.000 0.186 485 G C -0.500 174.278 174.900 -0.204 0.000 1.000 485 G CA -0.532 44.532 45.100 -0.060 0.000 0.664 485 G HN 0.308 nan 8.290 nan 0.000 0.513 486 Y N -0.956 119.356 120.300 0.020 0.000 2.420 486 Y HA 0.738 5.261 4.550 -0.044 0.000 0.334 486 Y C 0.275 176.154 175.900 -0.035 0.000 1.094 486 Y CA -1.235 56.837 58.100 -0.047 0.000 1.126 486 Y CB 1.818 40.211 38.460 -0.111 0.000 1.217 486 Y HN 0.192 nan 8.280 nan 0.000 0.462 487 L N 3.904 125.189 121.223 0.102 0.000 2.307 487 L HA 0.557 4.870 4.340 -0.044 0.000 0.284 487 L C -1.115 175.768 176.870 0.021 0.000 1.023 487 L CA -0.611 54.288 54.840 0.098 0.000 0.810 487 L CB 0.671 42.810 42.059 0.134 0.000 1.231 487 L HN 0.602 nan 8.230 nan 0.000 0.423 488 K N 3.784 124.134 120.400 -0.083 0.000 2.443 488 K HA 0.920 5.213 4.320 -0.044 0.000 0.251 488 K C -1.478 175.112 176.600 -0.016 0.000 0.972 488 K CA -1.004 55.199 56.287 -0.141 0.000 0.833 488 K CB 2.175 34.357 32.500 -0.530 0.000 1.317 488 K HN 0.644 nan 8.250 nan 0.000 0.441 489 A N 2.422 125.212 122.820 -0.049 0.000 2.359 489 A HA 0.628 4.921 4.320 -0.044 0.000 0.303 489 A C -1.084 176.350 177.584 -0.250 0.000 1.066 489 A CA -0.727 51.059 52.037 -0.419 0.000 0.730 489 A CB 0.551 18.957 19.000 -0.990 0.000 1.211 489 A HN 0.574 nan 8.150 nan 0.000 0.439 490 L N 1.288 122.386 121.223 -0.208 0.000 2.330 490 L HA 0.459 4.773 4.340 -0.044 0.000 0.271 490 L C -0.222 176.503 176.870 -0.242 0.000 1.013 490 L CA -1.106 53.633 54.840 -0.168 0.000 0.816 490 L CB 1.592 43.604 42.059 -0.078 0.000 1.287 490 L HN 0.693 nan 8.230 nan 0.000 0.435 491 D N 1.798 122.047 120.400 -0.252 0.000 2.371 491 D HA -0.053 4.561 4.640 -0.044 0.000 0.256 491 D C 0.927 177.090 176.300 -0.228 0.000 1.193 491 D CA -0.081 53.788 54.000 -0.217 0.000 0.881 491 D CB 0.872 41.544 40.800 -0.212 0.000 1.143 491 D HN 0.600 nan 8.370 nan 0.000 0.473 492 N N 4.393 123.041 118.700 -0.086 0.000 2.520 492 N HA -0.201 4.512 4.740 -0.044 0.000 0.185 492 N C 1.192 176.849 175.510 0.245 0.000 1.068 492 N CA 0.669 53.749 53.050 0.050 0.000 0.911 492 N CB -0.033 38.498 38.487 0.072 0.000 0.961 492 N HN 0.458 nan 8.380 nan 0.000 0.446 493 K N 0.773 121.202 120.400 0.048 0.000 2.116 493 K HA -0.102 4.192 4.320 -0.044 0.000 0.203 493 K C 0.259 176.808 176.600 -0.086 0.000 1.052 493 K CA 1.740 58.072 56.287 0.074 0.000 0.952 493 K CB 0.151 32.656 32.500 0.007 0.000 0.729 493 K HN 0.302 nan 8.250 nan 0.000 0.446 494 D N -2.918 117.189 120.400 -0.488 0.000 2.525 494 D HA 0.119 4.733 4.640 -0.044 0.000 0.231 494 D C 0.821 176.274 176.300 -1.411 0.000 1.216 494 D CA 0.518 54.053 54.000 -0.776 0.000 0.813 494 D CB 0.527 41.115 40.800 -0.354 0.000 1.108 494 D HN 0.267 nan 8.370 nan 0.000 0.524 495 G N 1.175 108.938 108.800 -1.729 0.000 2.159 495 G HA2 -0.344 3.590 3.960 -0.044 0.000 0.256 495 G HA3 -0.344 3.590 3.960 -0.044 0.000 0.256 495 G C 0.154 174.656 174.900 -0.663 0.000 0.977 495 G CA 0.250 44.345 45.100 -1.675 0.000 0.652 495 G HN 0.598 nan 8.290 nan 0.000 0.531 496 K N 1.031 121.145 120.400 -0.478 0.000 2.412 496 K HA 0.299 4.592 4.320 -0.044 0.000 0.281 496 K C 0.534 177.015 176.600 -0.198 0.000 1.027 496 K CA -0.209 55.919 56.287 -0.265 0.000 0.989 496 K CB 0.297 32.671 32.500 -0.210 0.000 0.935 496 K HN 0.374 nan 8.250 nan 0.000 0.475 497 E N 4.773 124.896 120.200 -0.129 0.000 2.299 497 E HA 0.003 4.326 4.350 -0.044 0.000 0.272 497 E C 0.146 176.695 176.600 -0.086 0.000 1.043 497 E CA -0.090 56.256 56.400 -0.089 0.000 0.895 497 E CB 0.501 30.161 29.700 -0.067 0.000 1.011 497 E HN 0.649 nan 8.360 nan 0.000 0.432 498 L N 4.385 125.562 121.223 -0.076 0.000 2.609 498 L HA 0.346 4.660 4.340 -0.044 0.000 0.230 498 L C 0.038 176.957 176.870 0.082 0.000 1.087 498 L CA -0.348 54.469 54.840 -0.038 0.000 0.874 498 L CB 0.312 42.317 42.059 -0.090 0.000 1.114 498 L HN 0.599 nan 8.230 nan 0.000 0.488 499 W N 1.033 122.229 121.300 -0.174 0.000 3.275 499 W HA 0.383 5.017 4.660 -0.044 0.000 0.306 499 W C -1.785 174.666 176.519 -0.113 0.000 1.259 499 W CA -0.792 56.477 57.345 -0.127 0.000 1.194 499 W CB 1.194 30.567 29.460 -0.145 0.000 1.375 499 W HN 0.073 nan 8.180 nan 0.000 0.564 500 N N 2.496 120.594 118.700 -1.002 0.000 2.859 500 N HA 0.669 5.383 4.740 -0.044 0.000 0.250 500 N C -2.383 172.407 175.510 -1.201 0.000 1.341 500 N CA -0.735 51.744 53.050 -0.951 0.000 0.881 500 N CB 2.141 40.388 38.487 -0.400 0.000 1.516 500 N HN 0.426 nan 8.380 nan 0.000 0.503 501 F N 0.467 119.878 119.950 -0.899 0.000 2.596 501 F HA 0.537 5.037 4.527 -0.044 0.000 0.311 501 F C -1.025 174.630 175.800 -0.242 0.000 1.116 501 F CA -0.823 56.871 58.000 -0.509 0.000 0.957 501 F CB 1.922 40.678 39.000 -0.406 0.000 1.250 501 F HN 0.660 nan 8.300 nan 0.000 0.444 502 K N 7.299 127.073 120.400 -1.044 0.000 2.220 502 K HA 0.339 4.633 4.320 -0.044 0.000 0.283 502 K C -0.607 175.563 176.600 -0.716 0.000 1.098 502 K CA -0.011 55.669 56.287 -1.011 0.000 0.928 502 K CB -0.024 31.941 32.500 -0.890 0.000 1.214 502 K HN 0.720 nan 8.250 nan 0.000 0.442 503 M N 5.362 124.798 119.600 -0.273 0.000 2.103 503 M HA 0.157 4.610 4.480 -0.044 0.000 0.291 503 M C -1.270 174.870 176.300 -0.267 0.000 1.216 503 M CA -1.787 53.481 55.300 -0.052 0.000 1.132 503 M CB 0.233 32.878 32.600 0.075 0.000 1.396 503 M HN 0.364 nan 8.290 nan 0.000 0.479 504 P HA -0.049 nan 4.420 nan 0.000 0.218 504 P C 0.014 177.196 177.300 -0.196 0.000 1.149 504 P CA 0.991 63.866 63.100 -0.375 0.000 0.817 504 P CB 0.293 31.629 31.700 -0.607 0.000 0.785 505 S N -2.513 113.125 115.700 -0.103 0.000 2.638 505 S HA 0.627 5.070 4.470 -0.044 0.000 0.274 505 S C -0.235 174.412 174.600 0.078 0.000 1.157 505 S CA -0.624 57.594 58.200 0.029 0.000 0.826 505 S CB 0.702 63.978 63.200 0.126 0.000 1.139 505 S HN 0.064 nan 8.310 nan 0.000 0.474 506 G N 0.457 109.296 108.800 0.066 0.000 2.559 506 G HA2 0.450 4.383 3.960 -0.044 0.000 0.235 506 G HA3 0.450 4.383 3.960 -0.044 0.000 0.235 506 G C 0.313 175.314 174.900 0.169 0.000 1.266 506 G CA 0.129 45.287 45.100 0.097 0.000 0.847 506 G HN 0.938 nan 8.290 nan 0.000 0.583 507 G N -0.171 108.756 108.800 0.210 0.000 2.379 507 G HA2 0.504 4.437 3.960 -0.044 0.000 0.327 507 G HA3 0.504 4.437 3.960 -0.044 0.000 0.327 507 G C 0.576 175.653 174.900 0.296 0.000 1.145 507 G CA -0.635 44.622 45.100 0.261 0.000 0.905 507 G HN 1.025 nan 8.290 nan 0.000 0.466 508 I N 0.574 121.339 120.570 0.326 0.000 4.050 508 I HA 0.449 4.592 4.170 -0.044 0.000 0.327 508 I C 0.673 177.059 176.117 0.448 0.000 1.473 508 I CA -0.609 60.949 61.300 0.430 0.000 1.124 508 I CB 0.746 39.008 38.000 0.436 0.000 1.129 508 I HN 0.408 nan 8.210 nan 0.000 0.428 509 G N 0.545 109.572 108.800 0.377 0.000 2.820 509 G HA2 0.555 4.488 3.960 -0.044 0.000 0.291 509 G HA3 0.555 4.488 3.960 -0.044 0.000 0.291 509 G C -1.265 173.825 174.900 0.317 0.000 1.323 509 G CA -0.536 44.784 45.100 0.367 0.000 1.055 509 G HN 0.088 nan 8.290 nan 0.000 0.520 510 S N -0.074 115.790 115.700 0.273 0.000 2.509 510 S HA 0.683 5.126 4.470 -0.044 0.000 0.297 510 S C -2.468 172.319 174.600 0.311 0.000 1.118 510 S CA -1.226 57.133 58.200 0.265 0.000 1.074 510 S CB 1.543 64.781 63.200 0.064 0.000 1.038 510 S HN 0.264 nan 8.310 nan 0.000 0.498 511 P HA 0.281 nan 4.420 nan 0.000 0.269 511 P C -0.827 176.441 177.300 -0.053 0.000 1.215 511 P CA -0.247 62.930 63.100 0.129 0.000 0.780 511 P CB 0.432 32.201 31.700 0.114 0.000 0.898 512 M N -0.448 118.943 119.600 -0.350 0.000 2.727 512 M HA 0.835 5.288 4.480 -0.044 0.000 0.300 512 M C -0.454 175.381 176.300 -0.775 0.000 1.246 512 M CA -0.422 54.304 55.300 -0.956 0.000 0.835 512 M CB 1.629 33.486 32.600 -1.238 0.000 1.755 512 M HN 0.126 nan 8.290 nan 0.000 0.473 513 T N 0.313 114.346 114.554 -0.869 0.000 2.868 513 T HA 0.852 5.176 4.350 -0.044 0.000 0.306 513 T C -2.093 172.583 174.700 -0.040 0.000 1.224 513 T CA -0.427 61.430 62.100 -0.406 0.000 1.012 513 T CB 1.145 69.781 68.868 -0.387 0.000 1.221 513 T HN 1.054 nan 8.240 nan 0.000 0.499 514 Y N -0.451 119.815 120.300 -0.056 0.000 2.750 514 Y HA 0.761 5.285 4.550 -0.044 0.000 0.335 514 Y C -0.919 175.075 175.900 0.157 0.000 1.252 514 Y CA -1.095 57.056 58.100 0.084 0.000 1.064 514 Y CB 0.712 39.218 38.460 0.077 0.000 1.321 514 Y HN 0.660 nan 8.280 nan 0.000 0.451 515 S N 1.355 117.254 115.700 0.331 0.000 2.536 515 S HA 0.824 5.268 4.470 -0.044 0.000 0.298 515 S C -1.734 173.163 174.600 0.495 0.000 1.083 515 S CA -0.501 57.869 58.200 0.283 0.000 0.995 515 S CB 2.154 65.449 63.200 0.158 0.000 1.058 515 S HN 1.013 nan 8.310 nan 0.000 0.488 516 F N 2.261 122.402 119.950 0.317 0.000 2.607 516 F HA 0.521 5.021 4.527 -0.045 0.000 0.322 516 F C 0.025 175.954 175.800 0.216 0.000 1.176 516 F CA -0.851 57.302 58.000 0.256 0.000 0.977 516 F CB 1.339 40.477 39.000 0.229 0.000 1.242 516 F HN 0.939 nan 8.300 nan 0.000 0.465 517 K N 4.427 124.547 120.400 -0.467 0.000 3.071 517 K HA -0.188 4.106 4.320 -0.044 0.000 0.265 517 K C 0.915 177.430 176.600 -0.142 0.000 1.060 517 K CA 0.913 56.955 56.287 -0.409 0.000 0.767 517 K CB -1.619 30.524 32.500 -0.595 0.000 1.241 517 K HN 1.556 nan 8.250 nan 0.000 0.486 518 G N 0.212 108.982 108.800 -0.050 0.000 2.184 518 G HA2 -0.386 3.547 3.960 -0.044 0.000 0.264 518 G HA3 -0.386 3.547 3.960 -0.044 0.000 0.264 518 G C 0.018 174.905 174.900 -0.023 0.000 0.975 518 G CA 0.926 46.013 45.100 -0.022 0.000 0.642 518 G HN 0.385 nan 8.290 nan 0.000 0.536 519 K N 0.641 121.043 120.400 0.003 0.000 2.156 519 K HA 0.508 4.802 4.320 -0.044 0.000 0.271 519 K C 0.334 176.838 176.600 -0.160 0.000 0.995 519 K CA -0.633 55.591 56.287 -0.105 0.000 0.890 519 K CB 0.699 33.116 32.500 -0.139 0.000 1.073 519 K HN 0.265 nan 8.250 nan 0.000 0.454 520 Q N 3.397 123.018 119.800 -0.299 0.000 2.267 520 Q HA 0.167 4.481 4.340 -0.044 0.000 0.255 520 Q C -1.559 174.079 176.000 -0.604 0.000 0.923 520 Q CA -0.376 55.237 55.803 -0.316 0.000 0.925 520 Q CB 0.610 29.206 28.738 -0.236 0.000 1.195 520 Q HN 0.512 nan 8.270 nan 0.000 0.417 521 Y N 2.727 122.682 120.300 -0.575 0.000 2.485 521 Y HA 0.470 4.994 4.550 -0.044 0.000 0.345 521 Y C -0.163 175.306 175.900 -0.718 0.000 0.998 521 Y CA -1.045 56.634 58.100 -0.701 0.000 1.059 521 Y CB 1.529 39.349 38.460 -1.067 0.000 1.234 521 Y HN 0.475 nan 8.280 nan 0.000 0.461 522 I N 2.192 122.506 120.570 -0.428 0.000 2.406 522 I HA 0.507 4.651 4.170 -0.044 0.000 0.290 522 I C 0.262 176.249 176.117 -0.217 0.000 0.999 522 I CA -0.536 60.454 61.300 -0.517 0.000 1.124 522 I CB 1.292 38.736 38.000 -0.926 0.000 1.289 522 I HN 0.756 nan 8.210 nan 0.000 0.441 523 G N 3.133 111.823 108.800 -0.183 0.000 2.513 523 G HA2 0.550 4.484 3.960 -0.044 0.000 0.317 523 G HA3 0.550 4.484 3.960 -0.044 0.000 0.317 523 G C -1.181 173.713 174.900 -0.010 0.000 1.277 523 G CA -0.420 44.639 45.100 -0.068 0.000 0.955 523 G HN 0.510 nan 8.290 nan 0.000 0.484 524 S N 1.856 117.615 115.700 0.099 0.000 2.548 524 S HA 0.606 5.049 4.470 -0.044 0.000 0.276 524 S C 0.012 174.729 174.600 0.194 0.000 1.129 524 S CA -0.821 57.482 58.200 0.172 0.000 0.931 524 S CB 1.033 64.384 63.200 0.251 0.000 1.068 524 S HN 0.451 nan 8.310 nan 0.000 0.480 525 M N 3.816 123.523 119.600 0.179 0.000 2.202 525 M HA 0.372 4.825 4.480 -0.044 0.000 0.316 525 M C -0.455 175.966 176.300 0.202 0.000 1.138 525 M CA -0.154 55.217 55.300 0.118 0.000 1.151 525 M CB 0.151 32.832 32.600 0.135 0.000 1.422 525 M HN 0.793 nan 8.290 nan 0.000 0.471 526 Y N -2.389 117.964 120.300 0.089 0.000 2.562 526 Y HA 0.758 5.281 4.550 -0.044 0.000 0.345 526 Y C -0.253 175.639 175.900 -0.013 0.000 1.045 526 Y CA -1.568 56.570 58.100 0.064 0.000 1.028 526 Y CB 1.473 39.962 38.460 0.049 0.000 1.297 526 Y HN 0.910 nan 8.280 nan 0.000 0.463 527 G N 1.307 110.223 108.800 0.195 0.000 2.648 527 G HA2 0.189 4.122 3.960 -0.044 0.000 0.317 527 G HA3 0.189 4.122 3.960 -0.044 0.000 0.317 527 G C -1.654 173.328 174.900 0.138 0.000 1.216 527 G CA -0.549 44.600 45.100 0.080 0.000 1.210 527 G HN 1.021 nan 8.290 nan 0.000 0.583 528 V N 2.108 122.080 119.914 0.097 0.000 2.963 528 V HA 0.829 4.922 4.120 -0.044 0.000 0.306 528 V C 1.178 177.294 176.094 0.037 0.000 1.077 528 V CA 2.329 64.662 62.300 0.054 0.000 1.124 528 V CB 1.375 33.193 31.823 -0.009 0.000 0.987 528 V HN 2.335 nan 8.190 nan 0.000 0.487 529 G N 2.799 111.604 108.800 0.008 0.000 2.512 529 G HA2 0.593 4.526 3.960 -0.044 0.000 0.181 529 G HA3 0.593 4.526 3.960 -0.044 0.000 0.181 529 G C 0.193 175.096 174.900 0.006 0.000 1.173 529 G CA 0.209 45.317 45.100 0.012 0.000 0.988 529 G HN 2.095 nan 8.290 nan 0.000 0.485 530 G N -1.637 107.233 108.800 0.117 0.000 2.697 530 G HA2 -0.092 3.841 3.960 -0.044 0.000 0.240 530 G HA3 -0.092 3.841 3.960 -0.044 0.000 0.240 530 G C 0.881 175.868 174.900 0.145 0.000 1.346 530 G CA 0.845 46.060 45.100 0.192 0.000 0.887 530 G HN 1.721 nan 8.290 nan 0.000 0.569 531 W N 1.481 122.760 121.300 -0.035 0.000 2.335 531 W HA 0.002 4.635 4.660 -0.044 0.000 0.311 531 W C -0.056 176.231 176.519 -0.386 0.000 1.213 531 W CA 2.755 60.043 57.345 -0.094 0.000 1.274 531 W CB -1.658 27.868 29.460 0.111 0.000 1.148 531 W HN 0.459 nan 8.180 nan 0.000 0.498 532 P HA -0.091 nan 4.420 nan 0.000 0.218 532 P C 1.427 178.284 177.300 -0.739 0.000 1.148 532 P CA 2.713 65.023 63.100 -1.316 0.000 0.822 532 P CB -0.541 30.083 31.700 -1.793 0.000 0.784 533 G N -0.726 107.844 108.800 -0.383 0.000 3.284 533 G HA2 0.051 3.985 3.960 -0.044 0.000 0.236 533 G HA3 0.051 3.985 3.960 -0.044 0.000 0.236 533 G C 1.305 176.200 174.900 -0.008 0.000 1.158 533 G CA 0.171 45.164 45.100 -0.179 0.000 0.774 533 G HN 0.253 nan 8.290 nan 0.000 0.545 534 V N -0.866 119.118 119.914 0.116 0.000 2.392 534 V HA -0.069 4.025 4.120 -0.044 0.000 0.249 534 V C 2.585 178.850 176.094 0.285 0.000 1.059 534 V CA 2.147 64.644 62.300 0.329 0.000 1.051 534 V CB -1.116 30.919 31.823 0.354 0.000 0.658 534 V HN 0.187 nan 8.190 nan 0.000 0.455 535 G N 0.601 109.505 108.800 0.173 0.000 2.421 535 G HA2 -0.247 3.686 3.960 -0.044 0.000 0.216 535 G HA3 -0.247 3.686 3.960 -0.044 0.000 0.216 535 G C 1.520 176.480 174.900 0.099 0.000 1.171 535 G CA 1.325 46.513 45.100 0.147 0.000 0.775 535 G HN 0.564 nan 8.290 nan 0.000 0.543 536 L N 0.803 122.054 121.223 0.048 0.000 2.027 536 L HA 0.040 4.354 4.340 -0.044 0.000 0.206 536 L C 2.858 179.697 176.870 -0.050 0.000 1.074 536 L CA 1.537 56.379 54.840 0.002 0.000 0.745 536 L CB -0.660 41.386 42.059 -0.023 0.000 0.898 536 L HN 0.069 nan 8.230 nan 0.000 0.433 537 V N -0.612 119.229 119.914 -0.121 0.000 2.407 537 V HA -0.241 3.852 4.120 -0.044 0.000 0.248 537 V C 1.734 177.522 176.094 -0.510 0.000 1.055 537 V CA 2.000 64.083 62.300 -0.361 0.000 1.049 537 V CB -0.698 30.790 31.823 -0.558 0.000 0.662 537 V HN 0.416 nan 8.190 nan 0.000 0.455 538 F N -0.709 119.253 119.950 0.019 0.000 2.647 538 F HA 0.327 4.827 4.527 -0.045 0.000 0.300 538 F C 0.500 176.307 175.800 0.012 0.000 1.106 538 F CA -0.530 57.478 58.000 0.013 0.000 1.313 538 F CB -0.071 38.931 39.000 0.003 0.000 1.007 538 F HN 0.064 nan 8.300 nan 0.000 0.536 539 D N 1.682 122.150 120.400 0.112 0.000 2.689 539 D HA -0.190 4.423 4.640 -0.044 0.000 0.237 539 D C -0.461 175.896 176.300 0.095 0.000 1.148 539 D CA 0.745 54.795 54.000 0.083 0.000 0.656 539 D CB -1.211 39.628 40.800 0.064 0.000 1.050 539 D HN 0.268 nan 8.370 nan 0.000 0.426 540 L N -0.206 121.084 121.223 0.113 0.000 2.322 540 L HA 0.536 4.849 4.340 -0.044 0.000 0.279 540 L C 1.847 178.766 176.870 0.082 0.000 1.036 540 L CA -0.191 54.706 54.840 0.095 0.000 0.807 540 L CB 1.680 43.805 42.059 0.111 0.000 1.226 540 L HN 0.091 nan 8.230 nan 0.000 0.433 541 T N -4.388 110.206 114.554 0.066 0.000 2.966 541 T HA 0.043 4.367 4.350 -0.044 0.000 0.254 541 T C 0.405 175.142 174.700 0.061 0.000 0.961 541 T CA -0.335 61.803 62.100 0.063 0.000 0.915 541 T CB 0.184 69.082 68.868 0.049 0.000 1.186 541 T HN 0.448 nan 8.240 nan 0.000 0.505 542 D N 4.357 124.787 120.400 0.052 0.000 2.434 542 D HA 0.102 4.715 4.640 -0.044 0.000 0.252 542 D C -1.007 175.332 176.300 0.065 0.000 1.185 542 D CA -1.622 52.406 54.000 0.046 0.000 0.886 542 D CB 1.796 42.613 40.800 0.028 0.000 1.148 542 D HN 0.103 nan 8.370 nan 0.000 0.483 543 P HA -0.173 nan 4.420 nan 0.000 0.219 543 P C 1.043 178.402 177.300 0.099 0.000 1.146 543 P CA 1.004 64.158 63.100 0.090 0.000 0.808 543 P CB 0.139 31.891 31.700 0.086 0.000 0.779 544 S N -1.410 114.337 115.700 0.079 0.000 2.527 544 S HA 0.282 4.725 4.470 -0.044 0.000 0.222 544 S C 1.243 175.885 174.600 0.070 0.000 0.985 544 S CA -0.044 58.202 58.200 0.077 0.000 0.921 544 S CB -0.758 62.472 63.200 0.051 0.000 0.772 544 S HN 0.210 nan 8.310 nan 0.000 0.529 545 A N 1.040 123.898 122.820 0.063 0.000 2.366 545 A HA 0.560 4.854 4.320 -0.044 0.000 0.250 545 A C 1.449 179.094 177.584 0.101 0.000 1.099 545 A CA 0.038 52.102 52.037 0.045 0.000 0.794 545 A CB -1.100 17.922 19.000 0.036 0.000 1.056 545 A HN 1.553 nan 8.150 nan 0.000 0.499 546 G N -1.077 107.765 108.800 0.070 0.000 2.273 546 G HA2 -0.081 3.852 3.960 -0.044 0.000 0.280 546 G HA3 -0.081 3.852 3.960 -0.044 0.000 0.280 546 G C 0.413 175.527 174.900 0.356 0.000 1.047 546 G CA 0.248 45.452 45.100 0.173 0.000 0.869 546 G HN 1.774 nan 8.290 nan 0.000 0.502 547 L N -3.303 118.029 121.223 0.183 0.000 4.040 547 L HA -0.245 4.069 4.340 -0.044 0.000 0.410 547 L C 2.009 179.114 176.870 0.392 0.000 1.187 547 L CA 1.158 56.162 54.840 0.272 0.000 0.956 547 L CB -1.503 40.834 42.059 0.464 0.000 2.022 547 L HN 2.098 nan 8.230 nan 0.000 0.897 548 G N -1.963 106.994 108.800 0.262 0.000 2.175 548 G HA2 -0.213 3.721 3.960 -0.044 0.000 0.244 548 G HA3 -0.213 3.721 3.960 -0.044 0.000 0.244 548 G C 0.844 175.860 174.900 0.193 0.000 0.982 548 G CA 0.596 45.822 45.100 0.210 0.000 0.641 548 G HN 0.947 nan 8.290 nan 0.000 0.527 549 A N -0.012 122.953 122.820 0.242 0.000 2.016 549 A HA 0.436 4.730 4.320 -0.044 0.000 0.217 549 A C 2.527 180.269 177.584 0.264 0.000 1.162 549 A CA 2.208 54.353 52.037 0.181 0.000 0.662 549 A CB -0.305 18.701 19.000 0.010 0.000 0.812 549 A HN 1.055 nan 8.150 nan 0.000 0.450 550 V N 0.145 120.194 119.914 0.225 0.000 2.282 550 V HA -0.255 3.839 4.120 -0.044 0.000 0.249 550 V C 2.823 179.027 176.094 0.184 0.000 1.057 550 V CA 2.163 64.582 62.300 0.199 0.000 1.032 550 V CB -1.468 30.446 31.823 0.152 0.000 0.645 550 V HN 0.586 nan 8.190 nan 0.000 0.447 551 G N -0.590 108.301 108.800 0.152 0.000 2.421 551 G HA2 -0.209 3.724 3.960 -0.044 0.000 0.216 551 G HA3 -0.209 3.724 3.960 -0.044 0.000 0.216 551 G C 1.782 176.748 174.900 0.110 0.000 1.171 551 G CA 1.061 46.238 45.100 0.128 0.000 0.775 551 G HN 0.633 nan 8.290 nan 0.000 0.543 552 A N 0.072 122.941 122.820 0.082 0.000 1.940 552 A HA 0.136 4.430 4.320 -0.044 0.000 0.219 552 A C 1.739 179.193 177.584 -0.216 0.000 1.176 552 A CA 1.070 53.061 52.037 -0.077 0.000 0.631 552 A CB -0.394 18.504 19.000 -0.170 0.000 0.814 552 A HN 0.335 nan 8.150 nan 0.000 0.446 553 F N -0.133 119.889 119.950 0.119 0.000 2.668 553 F HA 0.182 4.682 4.527 -0.044 0.000 0.297 553 F C 1.888 177.776 175.800 0.146 0.000 1.124 553 F CA 0.009 58.100 58.000 0.152 0.000 1.353 553 F CB 0.078 39.099 39.000 0.034 0.000 0.992 553 F HN 0.311 nan 8.300 nan 0.000 0.524 554 R N 0.056 120.698 120.500 0.237 0.000 2.139 554 R HA -0.159 4.154 4.340 -0.044 0.000 0.243 554 R C 1.076 177.500 176.300 0.208 0.000 1.145 554 R CA 1.703 57.916 56.100 0.188 0.000 0.976 554 R CB -0.484 29.899 30.300 0.137 0.000 0.866 554 R HN 0.183 nan 8.270 nan 0.000 0.449 555 E N 0.833 121.210 120.200 0.294 0.000 2.371 555 E HA -0.052 4.271 4.350 -0.044 0.000 0.194 555 E C 1.846 178.731 176.600 0.476 0.000 1.012 555 E CA 0.188 56.809 56.400 0.369 0.000 0.860 555 E CB -0.037 29.918 29.700 0.424 0.000 0.811 555 E HN 0.250 nan 8.360 nan 0.000 0.502 556 L N 2.251 123.665 121.223 0.318 0.000 2.043 556 L HA -0.233 4.080 4.340 -0.044 0.000 0.212 556 L C 2.293 179.200 176.870 0.062 0.000 1.075 556 L CA 1.930 56.734 54.840 -0.059 0.000 0.752 556 L CB -0.588 41.307 42.059 -0.273 0.000 0.891 556 L HN 0.141 nan 8.230 nan 0.000 0.432 557 Q N -1.749 118.096 119.800 0.076 0.000 2.541 557 Q HA -0.153 4.161 4.340 -0.044 0.000 0.215 557 Q C 1.112 177.134 176.000 0.036 0.000 0.977 557 Q CA 1.599 57.428 55.803 0.044 0.000 0.934 557 Q CB -0.766 27.995 28.738 0.038 0.000 0.988 557 Q HN 0.669 nan 8.270 nan 0.000 0.521 558 N N -0.440 118.289 118.700 0.048 0.000 2.280 558 N HA 0.038 4.751 4.740 -0.044 0.000 0.192 558 N C 0.672 176.043 175.510 -0.231 0.000 1.109 558 N CA 0.044 53.043 53.050 -0.085 0.000 0.855 558 N CB 0.372 38.789 38.487 -0.116 0.000 0.974 558 N HN 0.322 nan 8.380 nan 0.000 0.482 559 H N -1.817 117.300 119.070 0.077 0.000 3.205 559 H HA 0.217 4.746 4.556 -0.044 0.000 0.252 559 H C 0.155 175.497 175.328 0.023 0.000 1.015 559 H CA 0.541 56.642 56.048 0.088 0.000 1.192 559 H CB 1.408 31.282 29.762 0.186 0.000 1.474 559 H HN -0.024 nan 8.280 nan 0.000 0.484 560 T N 0.480 115.089 114.554 0.092 0.000 2.802 560 T HA 0.353 4.676 4.350 -0.044 0.000 0.311 560 T C -1.482 173.217 174.700 -0.002 0.000 1.405 560 T CA -0.720 61.394 62.100 0.023 0.000 1.016 560 T CB 2.472 71.344 68.868 0.007 0.000 1.352 560 T HN -0.030 nan 8.240 nan 0.000 0.498 561 Q N 1.364 121.157 119.800 -0.012 0.000 2.587 561 Q HA 0.518 4.831 4.340 -0.044 0.000 0.293 561 Q C -0.225 175.769 176.000 -0.010 0.000 1.083 561 Q CA -0.909 54.885 55.803 -0.015 0.000 0.792 561 Q CB 2.072 30.799 28.738 -0.018 0.000 1.484 561 Q HN 0.728 nan 8.270 nan 0.000 0.446 562 M N 0.064 119.655 119.600 -0.015 0.000 2.219 562 M HA 0.409 4.862 4.480 -0.044 0.000 0.307 562 M C 0.623 176.932 176.300 0.015 0.000 1.116 562 M CA 0.697 55.993 55.300 -0.006 0.000 1.181 562 M CB 0.263 32.847 32.600 -0.025 0.000 1.410 562 M HN 0.814 nan 8.290 nan 0.000 0.454 563 G N -0.723 108.091 108.800 0.022 0.000 2.489 563 G HA2 0.635 4.569 3.960 -0.044 0.000 0.305 563 G HA3 0.635 4.569 3.960 -0.044 0.000 0.305 563 G C -1.528 173.270 174.900 -0.170 0.000 1.311 563 G CA -0.197 44.923 45.100 0.034 0.000 0.813 563 G HN 0.956 nan 8.290 nan 0.000 0.480 564 G N -1.202 107.370 108.800 -0.380 0.000 2.020 564 G HA2 0.800 4.734 3.960 -0.044 0.000 0.304 564 G HA3 0.800 4.734 3.960 -0.044 0.000 0.304 564 G C -0.211 174.079 174.900 -1.017 0.000 1.500 564 G CA 0.818 45.233 45.100 -1.143 0.000 1.120 564 G HN 2.021 nan 8.290 nan 0.000 0.555 565 G N -0.325 107.638 108.800 -1.396 0.000 2.341 565 G HA2 0.665 4.598 3.960 -0.044 0.000 0.299 565 G HA3 0.665 4.598 3.960 -0.044 0.000 0.299 565 G C -2.200 172.192 174.900 -0.848 0.000 1.274 565 G CA -0.252 44.216 45.100 -1.054 0.000 0.853 565 G HN 1.586 nan 8.290 nan 0.000 0.493 566 L N -0.309 120.776 121.223 -0.231 0.000 2.408 566 L HA 0.917 5.230 4.340 -0.044 0.000 0.268 566 L C -0.619 176.333 176.870 0.136 0.000 0.986 566 L CA -0.684 54.164 54.840 0.013 0.000 0.820 566 L CB 1.979 44.052 42.059 0.023 0.000 1.303 566 L HN 0.659 nan 8.230 nan 0.000 0.411 567 M N 4.734 124.392 119.600 0.096 0.000 2.393 567 M HA 0.590 5.044 4.480 -0.044 0.000 0.316 567 M C -1.391 174.660 176.300 -0.416 0.000 1.087 567 M CA -0.816 54.384 55.300 -0.165 0.000 0.937 567 M CB 2.212 34.797 32.600 -0.024 0.000 1.668 567 M HN 0.389 nan 8.290 nan 0.000 0.438 568 V N 3.559 122.957 119.914 -0.859 0.000 2.628 568 V HA 0.624 4.718 4.120 -0.044 0.000 0.306 568 V C -1.007 174.559 176.094 -0.881 0.000 1.045 568 V CA -0.503 61.325 62.300 -0.786 0.000 0.905 568 V CB 2.026 33.111 31.823 -1.230 0.000 0.997 568 V HN 0.651 nan 8.190 nan 0.000 0.436 569 F N 1.648 121.436 119.950 -0.271 0.000 2.593 569 F HA 0.873 5.373 4.527 -0.045 0.000 0.320 569 F C 0.340 175.968 175.800 -0.286 0.000 1.060 569 F CA -0.378 57.478 58.000 -0.241 0.000 0.940 569 F CB 2.381 41.232 39.000 -0.248 0.000 1.268 569 F HN 0.624 nan 8.300 nan 0.000 0.475 570 S N 0.362 116.000 115.700 -0.104 0.000 2.656 570 S HA 0.663 5.107 4.470 -0.044 0.000 0.265 570 S C -1.515 172.965 174.600 -0.200 0.000 1.132 570 S CA -1.112 56.901 58.200 -0.313 0.000 0.819 570 S CB 0.670 63.484 63.200 -0.642 0.000 1.119 570 S HN 0.586 nan 8.310 nan 0.000 0.476 571 L N 0.000 121.085 121.223 -0.230 0.000 2.949 571 L HA 0.000 4.313 4.340 -0.044 0.000 0.249 571 L CA 0.000 54.759 54.840 -0.136 0.000 0.813 571 L CB 0.000 41.979 42.059 -0.134 0.000 0.961 571 L HN 0.000 nan 8.230 nan 0.000 0.502