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 1t7o_1_A DATA FIRST_RESID 27 DATA SEQUENCE SHMAHQDALP RLPVPPLQQS LDYYLKALQP IVSEEEWAHT KQLVDEFQTS DATA SEQUENCE GGVGERLQKG LERRAKKMEN WLSEWWLKTA YLQFRQPVVI YSSPGVILPK DATA SEQUENCE QDFVDLQGQL RFAAKLIEGV LDFKSMIDNE TLPVEFLGGQ PLCMNQYYQI DATA SEQUENCE LSSCRVPGPK QDSVVNFLKS KRPPTHITVV HNYQFFELDV YHSDGTPLTS DATA SEQUENCE DQIFVQLEKI WNSSLQSNKE PVGILTSNHR NTWAKAYNNL IKDKVNRESV DATA SEQUENCE NSIQKSIFTV CLDKQVPRVS DDVYRNHVAG QMLHGGGSKF NSGNRWFDKT DATA SEQUENCE LQFIVAEDGS CGMVYEHAAA EGPPIVALVD HVMEYTKKPE LVRSPMVPLP DATA SEQUENCE MPKKLRFNIT PEIKNDIEKA KQNLSIMIQD LDIMMLTFHH FGKDFPKSEK DATA SEQUENCE LSPDAFIQVA LQLAYYRIYG QACATYESAS LRMFHLGRTD TIRSASIDSL DATA SEQUENCE AFVKGMGDST VPEQQKVELL RKAVQAHRAY TDRAIRGEAF DRHLLGLKLQ DATA SEQUENCE AIEDLVSMPD IFMDTSYAIA MHFNLSTSQV PAKTDCVGFF GPVVPDGYGI DATA SEQUENCE CYNPMEAHIN FSVSAYNSCA ETNAARMAHY LEKALLDMRT LLQNHPRAK 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 27 S HA 0.000 nan 4.470 nan 0.000 0.327 27 S C 0.000 174.698 174.600 0.163 0.000 1.055 27 S CA 0.000 58.333 58.200 0.222 0.000 1.107 27 S CB 0.000 63.215 63.200 0.025 0.000 0.593 28 H N 1.020 120.100 119.070 0.017 0.000 3.201 28 H HA -0.071 4.482 4.556 -0.004 0.000 0.301 28 H C 1.339 176.700 175.328 0.054 0.000 0.948 28 H CA 0.787 56.855 56.048 0.032 0.000 1.369 28 H CB 0.402 30.185 29.762 0.036 0.000 1.293 28 H HN 0.458 nan 8.280 nan 0.000 0.575 29 M N 4.926 124.581 119.600 0.092 0.000 2.086 29 M HA -0.146 4.331 4.480 -0.004 0.000 0.261 29 M C 2.227 178.477 176.300 -0.083 0.000 1.067 29 M CA 2.176 57.465 55.300 -0.018 0.000 1.116 29 M CB -0.511 32.070 32.600 -0.032 0.000 1.348 29 M HN 0.714 nan 8.290 nan 0.000 0.407 30 A N -1.256 121.437 122.820 -0.211 0.000 1.908 30 A HA -0.257 4.060 4.320 -0.004 0.000 0.218 30 A C 2.098 179.632 177.584 -0.084 0.000 1.181 30 A CA 2.320 54.243 52.037 -0.190 0.000 0.627 30 A CB -1.350 17.460 19.000 -0.316 0.000 0.818 30 A HN 0.789 nan 8.150 nan 0.000 0.445 31 H N -0.483 118.529 119.070 -0.097 0.000 2.267 31 H HA -0.134 4.420 4.556 -0.004 0.000 0.297 31 H C 2.218 177.511 175.328 -0.058 0.000 1.080 31 H CA 2.233 58.264 56.048 -0.028 0.000 1.278 31 H CB -0.054 29.720 29.762 0.020 0.000 1.365 31 H HN 0.385 nan 8.280 nan 0.000 0.489 32 Q N 0.198 119.991 119.800 -0.011 0.000 2.170 32 Q HA -0.135 4.202 4.340 -0.004 0.000 0.203 32 Q C 1.709 177.550 176.000 -0.266 0.000 0.976 32 Q CA 1.253 56.983 55.803 -0.122 0.000 0.858 32 Q CB -0.117 28.595 28.738 -0.043 0.000 0.907 32 Q HN 0.646 nan 8.270 nan 0.000 0.433 33 D N 0.223 120.507 120.400 -0.194 0.000 2.264 33 D HA -0.047 4.591 4.640 -0.004 0.000 0.208 33 D C 1.346 177.546 176.300 -0.166 0.000 0.966 33 D CA 0.926 54.816 54.000 -0.184 0.000 0.864 33 D CB 0.205 40.930 40.800 -0.125 0.000 0.933 33 D HN 0.222 nan 8.370 nan 0.000 0.499 34 A N 0.074 122.789 122.820 -0.175 0.000 2.218 34 A HA 0.121 4.438 4.320 -0.004 0.000 0.209 34 A C 1.113 178.602 177.584 -0.157 0.000 1.168 34 A CA -0.139 51.811 52.037 -0.145 0.000 0.804 34 A CB -0.110 18.811 19.000 -0.131 0.000 0.834 34 A HN 0.123 nan 8.150 nan 0.000 0.482 35 L N 2.040 123.143 121.223 -0.200 0.000 2.453 35 L HA 0.203 4.540 4.340 -0.004 0.000 0.272 35 L C -1.840 174.987 176.870 -0.073 0.000 1.182 35 L CA -1.562 53.184 54.840 -0.158 0.000 0.858 35 L CB 0.437 42.413 42.059 -0.138 0.000 1.120 35 L HN 0.194 nan 8.230 nan 0.000 0.474 36 P HA 0.151 nan 4.420 nan 0.000 0.278 36 P C -1.171 176.268 177.300 0.231 0.000 1.238 36 P CA -0.634 62.504 63.100 0.065 0.000 0.794 36 P CB 0.675 32.393 31.700 0.030 0.000 0.955 37 R N 2.132 122.783 120.500 0.252 0.000 2.459 37 R HA 0.374 4.712 4.340 -0.004 0.000 0.281 37 R C -0.048 176.451 176.300 0.330 0.000 1.050 37 R CA -1.026 55.242 56.100 0.279 0.000 1.055 37 R CB 0.031 30.441 30.300 0.183 0.000 1.045 37 R HN 0.311 nan 8.270 nan 0.000 0.495 38 L N 4.076 125.412 121.223 0.188 0.000 2.615 38 L HA 0.043 4.381 4.340 -0.004 0.000 0.284 38 L C -1.996 174.886 176.870 0.019 0.000 1.237 38 L CA -0.360 54.388 54.840 -0.154 0.000 0.905 38 L CB 0.219 42.126 42.059 -0.253 0.000 1.149 38 L HN 0.672 nan 8.230 nan 0.000 0.499 39 P HA 0.227 nan 4.420 nan 0.000 0.284 39 P C -1.474 175.852 177.300 0.043 0.000 1.287 39 P CA -0.507 62.594 63.100 0.003 0.000 0.824 39 P CB 1.498 33.169 31.700 -0.049 0.000 1.180 40 V N 1.985 121.810 119.914 -0.150 0.000 2.313 40 V HA 0.274 4.391 4.120 -0.004 0.000 0.278 40 V C -2.098 173.784 176.094 -0.354 0.000 1.017 40 V CA -1.699 60.341 62.300 -0.432 0.000 0.823 40 V CB 0.711 32.224 31.823 -0.517 0.000 1.010 40 V HN 0.550 nan 8.190 nan 0.000 0.443 41 P HA 0.276 nan 4.420 nan 0.000 0.272 41 P C -2.704 174.566 177.300 -0.049 0.000 1.230 41 P CA -1.435 61.588 63.100 -0.127 0.000 0.788 41 P CB -0.078 31.668 31.700 0.076 0.000 0.949 42 P HA 0.022 nan 4.420 nan 0.000 0.268 42 P C 0.846 178.234 177.300 0.146 0.000 1.204 42 P CA -0.135 63.000 63.100 0.059 0.000 0.768 42 P CB 0.343 32.058 31.700 0.026 0.000 0.842 43 L N 3.965 125.266 121.223 0.129 0.000 1.997 43 L HA -0.267 4.071 4.340 -0.004 0.000 0.216 43 L C 2.329 179.221 176.870 0.036 0.000 1.074 43 L CA 2.065 56.967 54.840 0.103 0.000 0.763 43 L CB -1.028 41.037 42.059 0.010 0.000 0.890 43 L HN 0.451 nan 8.230 nan 0.000 0.434 44 Q N -1.367 118.432 119.800 -0.002 0.000 2.124 44 Q HA -0.281 4.057 4.340 -0.004 0.000 0.202 44 Q C 2.272 178.227 176.000 -0.075 0.000 0.977 44 Q CA 1.950 57.729 55.803 -0.040 0.000 0.850 44 Q CB -0.167 28.542 28.738 -0.048 0.000 0.901 44 Q HN 0.702 nan 8.270 nan 0.000 0.429 45 Q N -0.552 119.214 119.800 -0.057 0.000 1.993 45 Q HA -0.156 4.182 4.340 -0.004 0.000 0.202 45 Q C 2.114 178.044 176.000 -0.117 0.000 0.984 45 Q CA 1.838 57.554 55.803 -0.146 0.000 0.837 45 Q CB -0.127 28.595 28.738 -0.028 0.000 0.902 45 Q HN 0.304 nan 8.270 nan 0.000 0.423 46 S N 0.774 116.542 115.700 0.114 0.000 2.383 46 S HA -0.099 4.368 4.470 -0.004 0.000 0.229 46 S C 1.905 176.500 174.600 -0.009 0.000 1.030 46 S CA 1.038 59.367 58.200 0.215 0.000 1.002 46 S CB -0.205 63.159 63.200 0.274 0.000 0.829 46 S HN 0.358 nan 8.310 nan 0.000 0.467 47 L N 0.777 121.963 121.223 -0.061 0.000 2.156 47 L HA -0.115 4.223 4.340 -0.004 0.000 0.208 47 L C 2.260 179.083 176.870 -0.078 0.000 1.095 47 L CA 1.231 56.023 54.840 -0.079 0.000 0.770 47 L CB -0.465 41.563 42.059 -0.052 0.000 0.914 47 L HN 0.304 nan 8.230 nan 0.000 0.439 48 D N -0.769 119.557 120.400 -0.124 0.000 2.103 48 D HA -0.227 4.410 4.640 -0.004 0.000 0.199 48 D C 2.077 178.326 176.300 -0.085 0.000 0.978 48 D CA 1.276 55.193 54.000 -0.138 0.000 0.829 48 D CB 0.003 40.665 40.800 -0.231 0.000 0.981 48 D HN 0.126 nan 8.370 nan 0.000 0.464 49 Y N -0.459 119.815 120.300 -0.043 0.000 2.207 49 Y HA -0.170 4.377 4.550 -0.005 0.000 0.287 49 Y C 2.121 177.893 175.900 -0.213 0.000 1.156 49 Y CA 0.972 59.059 58.100 -0.022 0.000 1.182 49 Y CB -1.198 37.354 38.460 0.153 0.000 0.979 49 Y HN 0.194 nan 8.280 nan 0.000 0.521 50 Y N 0.079 119.997 120.300 -0.636 0.000 2.145 50 Y HA -0.235 4.312 4.550 -0.004 0.000 0.286 50 Y C 2.124 177.861 175.900 -0.271 0.000 1.145 50 Y CA 1.374 58.893 58.100 -0.969 0.000 1.148 50 Y CB -0.762 37.188 38.460 -0.851 0.000 0.981 50 Y HN 0.063 nan 8.280 nan 0.000 0.507 51 L N -0.075 120.978 121.223 -0.283 0.000 2.083 51 L HA -0.233 4.105 4.340 -0.004 0.000 0.209 51 L C 2.446 179.430 176.870 0.189 0.000 1.083 51 L CA 1.678 56.407 54.840 -0.186 0.000 0.752 51 L CB -0.498 41.498 42.059 -0.106 0.000 0.899 51 L HN 0.171 nan 8.230 nan 0.000 0.433 52 K N 0.011 120.512 120.400 0.170 0.000 2.057 52 K HA -0.138 4.179 4.320 -0.004 0.000 0.207 52 K C 2.098 178.828 176.600 0.216 0.000 1.049 52 K CA 1.418 57.832 56.287 0.211 0.000 0.931 52 K CB -0.211 32.416 32.500 0.213 0.000 0.714 52 K HN 0.271 nan 8.250 nan 0.000 0.440 53 A N 0.736 123.703 122.820 0.245 0.000 2.119 53 A HA -0.015 4.302 4.320 -0.004 0.000 0.217 53 A C 1.945 179.665 177.584 0.227 0.000 1.153 53 A CA 0.845 53.075 52.037 0.322 0.000 0.692 53 A CB -0.279 19.076 19.000 0.591 0.000 0.799 53 A HN 0.147 nan 8.150 nan 0.000 0.458 54 L N -1.460 119.836 121.223 0.122 0.000 2.162 54 L HA -0.126 4.212 4.340 -0.004 0.000 0.205 54 L C 2.712 179.710 176.870 0.213 0.000 1.086 54 L CA 1.059 55.960 54.840 0.102 0.000 0.778 54 L CB -0.362 41.641 42.059 -0.094 0.000 0.928 54 L HN 0.499 nan 8.230 nan 0.000 0.446 55 Q N 0.355 120.303 119.800 0.247 0.000 2.156 55 Q HA -0.221 4.116 4.340 -0.004 0.000 0.211 55 Q C -0.735 175.280 176.000 0.027 0.000 0.995 55 Q CA 2.167 57.987 55.803 0.029 0.000 0.877 55 Q CB -0.578 28.067 28.738 -0.156 0.000 0.920 55 Q HN 0.377 nan 8.270 nan 0.000 0.416 56 P HA -0.058 nan 4.420 nan 0.000 0.236 56 P C 0.895 178.258 177.300 0.105 0.000 1.177 56 P CA 1.007 64.157 63.100 0.084 0.000 0.773 56 P CB -0.089 31.674 31.700 0.105 0.000 0.878 57 I N -3.264 117.374 120.570 0.113 0.000 4.154 57 I HA 0.217 4.384 4.170 -0.004 0.000 0.334 57 I C 0.465 176.639 176.117 0.095 0.000 1.371 57 I CA -0.468 60.896 61.300 0.106 0.000 1.110 57 I CB 0.757 38.819 38.000 0.105 0.000 1.085 57 I HN -0.296 nan 8.210 nan 0.000 0.398 58 V N -0.629 119.350 119.914 0.109 0.000 3.126 58 V HA 0.737 4.854 4.120 -0.004 0.000 0.314 58 V C 0.398 176.556 176.094 0.107 0.000 1.138 58 V CA -0.222 62.142 62.300 0.107 0.000 1.034 58 V CB 1.369 33.270 31.823 0.131 0.000 1.075 58 V HN 0.317 nan 8.190 nan 0.000 0.442 59 S N -0.000 115.758 115.700 0.098 0.000 2.624 59 S HA 0.344 4.812 4.470 -0.004 0.000 0.263 59 S C 0.708 175.383 174.600 0.125 0.000 1.287 59 S CA 0.290 58.540 58.200 0.085 0.000 0.990 59 S CB 0.817 64.055 63.200 0.064 0.000 0.950 59 S HN 0.843 nan 8.310 nan 0.000 0.561 60 E N 0.559 120.815 120.200 0.093 0.000 2.106 60 E HA -0.144 4.203 4.350 -0.004 0.000 0.192 60 E C 1.764 178.476 176.600 0.186 0.000 0.984 60 E CA 1.345 57.819 56.400 0.123 0.000 0.806 60 E CB -0.142 29.588 29.700 0.050 0.000 0.750 60 E HN 0.696 nan 8.360 nan 0.000 0.458 61 E N 1.236 121.510 120.200 0.125 0.000 2.031 61 E HA -0.185 4.162 4.350 -0.004 0.000 0.193 61 E C 1.827 178.510 176.600 0.138 0.000 0.994 61 E CA 1.179 57.645 56.400 0.111 0.000 0.800 61 E CB -0.208 29.527 29.700 0.059 0.000 0.752 61 E HN 0.308 nan 8.360 nan 0.000 0.447 62 E N -0.599 119.678 120.200 0.127 0.000 2.160 62 E HA -0.201 4.146 4.350 -0.004 0.000 0.195 62 E C 1.845 178.533 176.600 0.146 0.000 0.991 62 E CA 0.930 57.405 56.400 0.124 0.000 0.810 62 E CB -0.267 29.491 29.700 0.097 0.000 0.742 62 E HN 0.361 nan 8.360 nan 0.000 0.466 63 W N 1.248 122.557 121.300 0.015 0.000 2.453 63 W HA -0.015 4.642 4.660 -0.005 0.000 0.289 63 W C 2.411 178.925 176.519 -0.009 0.000 1.215 63 W CA 1.556 58.891 57.345 -0.017 0.000 1.297 63 W CB -0.070 29.374 29.460 -0.026 0.000 1.113 63 W HN 0.010 nan 8.180 nan 0.000 0.551 64 A N -0.619 122.386 122.820 0.308 0.000 1.877 64 A HA -0.297 4.020 4.320 -0.004 0.000 0.216 64 A C 2.080 179.662 177.584 -0.003 0.000 1.186 64 A CA 1.946 54.095 52.037 0.187 0.000 0.620 64 A CB -1.627 17.500 19.000 0.211 0.000 0.822 64 A HN 0.582 nan 8.150 nan 0.000 0.443 65 H N -0.305 118.737 119.070 -0.047 0.000 2.321 65 H HA -0.114 4.439 4.556 -0.004 0.000 0.300 65 H C 1.963 177.201 175.328 -0.150 0.000 1.087 65 H CA 2.000 58.002 56.048 -0.077 0.000 1.319 65 H CB -0.048 29.689 29.762 -0.042 0.000 1.379 65 H HN 0.434 nan 8.280 nan 0.000 0.501 66 T N 0.731 115.149 114.554 -0.226 0.000 2.833 66 T HA -0.125 4.223 4.350 -0.004 0.000 0.269 66 T C 1.965 176.389 174.700 -0.459 0.000 1.054 66 T CA 1.482 63.381 62.100 -0.336 0.000 1.135 66 T CB -0.062 68.617 68.868 -0.315 0.000 0.869 66 T HN 0.202 nan 8.240 nan 0.000 0.466 67 K N 1.325 121.377 120.400 -0.580 0.000 2.026 67 K HA -0.074 4.243 4.320 -0.004 0.000 0.208 67 K C 2.360 178.757 176.600 -0.338 0.000 1.048 67 K CA 1.317 57.248 56.287 -0.593 0.000 0.929 67 K CB -0.336 31.754 32.500 -0.684 0.000 0.713 67 K HN 0.112 nan 8.250 nan 0.000 0.439 68 Q N 0.408 120.036 119.800 -0.286 0.000 2.050 68 Q HA -0.072 4.265 4.340 -0.004 0.000 0.202 68 Q C 2.277 178.130 176.000 -0.245 0.000 0.980 68 Q CA 1.452 57.123 55.803 -0.221 0.000 0.840 68 Q CB -0.385 28.239 28.738 -0.191 0.000 0.898 68 Q HN 0.365 nan 8.270 nan 0.000 0.424 69 L N -0.083 120.931 121.223 -0.350 0.000 2.083 69 L HA -0.152 4.185 4.340 -0.004 0.000 0.209 69 L C 2.380 179.120 176.870 -0.216 0.000 1.083 69 L CA 0.635 55.293 54.840 -0.303 0.000 0.752 69 L CB -0.454 41.373 42.059 -0.386 0.000 0.899 69 L HN 0.041 nan 8.230 nan 0.000 0.433 70 V N -0.233 119.545 119.914 -0.227 0.000 2.407 70 V HA -0.285 3.833 4.120 -0.004 0.000 0.248 70 V C 2.116 178.170 176.094 -0.067 0.000 1.055 70 V CA 1.798 64.006 62.300 -0.153 0.000 1.049 70 V CB -0.453 31.265 31.823 -0.176 0.000 0.662 70 V HN 0.458 nan 8.190 nan 0.000 0.455 71 D N -0.086 120.255 120.400 -0.098 0.000 2.084 71 D HA -0.157 4.480 4.640 -0.004 0.000 0.196 71 D C 2.162 178.435 176.300 -0.045 0.000 0.985 71 D CA 1.340 55.299 54.000 -0.068 0.000 0.826 71 D CB -0.246 40.507 40.800 -0.078 0.000 0.978 71 D HN 0.538 nan 8.370 nan 0.000 0.456 72 E N -0.004 120.167 120.200 -0.050 0.000 2.130 72 E HA -0.205 4.142 4.350 -0.004 0.000 0.196 72 E C 1.940 178.541 176.600 0.002 0.000 0.998 72 E CA 0.625 57.005 56.400 -0.034 0.000 0.806 72 E CB -0.237 29.436 29.700 -0.045 0.000 0.738 72 E HN 0.198 nan 8.360 nan 0.000 0.459 73 F N 2.050 121.906 119.950 -0.157 0.000 2.171 73 F HA -0.163 4.361 4.527 -0.004 0.000 0.300 73 F C 2.168 177.889 175.800 -0.132 0.000 1.090 73 F CA 1.720 59.620 58.000 -0.167 0.000 1.293 73 F CB 0.017 38.873 39.000 -0.239 0.000 1.013 73 F HN -0.045 nan 8.300 nan 0.000 0.486 74 Q N -0.598 119.142 119.800 -0.100 0.000 2.280 74 Q HA 0.131 4.468 4.340 -0.004 0.000 0.201 74 Q C 0.800 176.722 176.000 -0.131 0.000 0.890 74 Q CA 0.158 55.858 55.803 -0.171 0.000 0.947 74 Q CB -0.492 28.194 28.738 -0.086 0.000 1.081 74 Q HN 0.201 nan 8.270 nan 0.000 0.502 75 T N 1.097 115.586 114.554 -0.109 0.000 2.906 75 T HA -0.014 4.334 4.350 -0.004 0.000 0.320 75 T C 0.101 174.746 174.700 -0.092 0.000 1.088 75 T CA 0.137 62.187 62.100 -0.084 0.000 1.120 75 T CB 0.931 69.759 68.868 -0.067 0.000 1.000 75 T HN 0.411 nan 8.240 nan 0.000 0.550 76 S N 2.370 118.028 115.700 -0.071 0.000 2.575 76 S HA 0.323 4.791 4.470 -0.004 0.000 0.295 76 S C 1.587 176.146 174.600 -0.068 0.000 1.267 76 S CA 0.827 58.987 58.200 -0.066 0.000 1.074 76 S CB -0.890 62.280 63.200 -0.050 0.000 0.829 76 S HN 1.618 nan 8.310 nan 0.000 0.497 77 G N 3.463 112.219 108.800 -0.074 0.000 2.196 77 G HA2 -0.219 3.738 3.960 -0.004 0.000 0.268 77 G HA3 -0.219 3.738 3.960 -0.004 0.000 0.268 77 G C 0.636 175.487 174.900 -0.082 0.000 0.975 77 G CA 0.395 45.453 45.100 -0.069 0.000 0.648 77 G HN 1.265 nan 8.290 nan 0.000 0.538 78 G N -1.096 107.641 108.800 -0.106 0.000 2.588 78 G HA2 0.504 4.461 3.960 -0.004 0.000 0.278 78 G HA3 0.504 4.461 3.960 -0.004 0.000 0.278 78 G C 1.337 176.137 174.900 -0.168 0.000 1.307 78 G CA 0.412 45.438 45.100 -0.123 0.000 1.016 78 G HN 0.747 nan 8.290 nan 0.000 0.503 79 V N 1.188 121.000 119.914 -0.170 0.000 2.287 79 V HA -0.164 3.954 4.120 -0.004 0.000 0.248 79 V C 3.179 179.044 176.094 -0.382 0.000 1.053 79 V CA 2.493 64.684 62.300 -0.182 0.000 1.027 79 V CB -1.416 30.367 31.823 -0.066 0.000 0.646 79 V HN 0.851 nan 8.190 nan 0.000 0.447 80 G N -0.545 107.761 108.800 -0.823 0.000 2.513 80 G HA2 -0.303 3.655 3.960 -0.004 0.000 0.219 80 G HA3 -0.303 3.655 3.960 -0.004 0.000 0.219 80 G C 1.469 176.039 174.900 -0.551 0.000 1.160 80 G CA 1.188 45.511 45.100 -1.295 0.000 0.767 80 G HN 0.588 nan 8.290 nan 0.000 0.571 81 E N 0.082 120.066 120.200 -0.360 0.000 2.058 81 E HA -0.128 4.220 4.350 -0.004 0.000 0.194 81 E C 2.820 179.332 176.600 -0.146 0.000 0.997 81 E CA 0.807 57.085 56.400 -0.204 0.000 0.801 81 E CB -0.124 29.485 29.700 -0.152 0.000 0.746 81 E HN 0.387 nan 8.360 nan 0.000 0.450 82 R N 0.380 120.798 120.500 -0.136 0.000 2.096 82 R HA -0.123 4.214 4.340 -0.004 0.000 0.235 82 R C 2.482 178.748 176.300 -0.057 0.000 1.127 82 R CA 0.982 57.035 56.100 -0.079 0.000 0.968 82 R CB -0.348 29.916 30.300 -0.060 0.000 0.861 82 R HN 0.207 nan 8.270 nan 0.000 0.440 83 L N 0.304 121.482 121.223 -0.074 0.000 2.044 83 L HA -0.159 4.178 4.340 -0.004 0.000 0.205 83 L C 2.727 179.593 176.870 -0.007 0.000 1.075 83 L CA 1.058 55.894 54.840 -0.007 0.000 0.747 83 L CB -0.468 41.616 42.059 0.041 0.000 0.903 83 L HN 0.121 nan 8.230 nan 0.000 0.435 84 Q N 1.138 120.907 119.800 -0.050 0.000 2.045 84 Q HA -0.245 4.092 4.340 -0.004 0.000 0.206 84 Q C 2.071 178.037 176.000 -0.056 0.000 0.991 84 Q CA 1.918 57.703 55.803 -0.030 0.000 0.851 84 Q CB -0.099 28.608 28.738 -0.051 0.000 0.911 84 Q HN 0.276 nan 8.270 nan 0.000 0.418 85 K N -0.927 119.438 120.400 -0.057 0.000 2.209 85 K HA -0.054 4.263 4.320 -0.004 0.000 0.204 85 K C 1.947 178.522 176.600 -0.041 0.000 1.048 85 K CA 0.882 57.138 56.287 -0.053 0.000 0.940 85 K CB -0.345 32.128 32.500 -0.046 0.000 0.729 85 K HN 0.435 nan 8.250 nan 0.000 0.451 86 G N 1.335 110.123 108.800 -0.021 0.000 2.402 86 G HA2 -0.208 3.750 3.960 -0.004 0.000 0.216 86 G HA3 -0.208 3.750 3.960 -0.004 0.000 0.216 86 G C 1.443 176.339 174.900 -0.007 0.000 1.162 86 G CA 0.409 45.515 45.100 0.009 0.000 0.777 86 G HN 0.094 nan 8.290 nan 0.000 0.539 87 L N 0.061 121.256 121.223 -0.047 0.000 2.093 87 L HA -0.037 4.300 4.340 -0.004 0.000 0.208 87 L C 2.897 179.633 176.870 -0.223 0.000 1.085 87 L CA 1.161 55.898 54.840 -0.172 0.000 0.755 87 L CB -0.402 41.456 42.059 -0.336 0.000 0.904 87 L HN 0.307 nan 8.230 nan 0.000 0.435 88 E N -0.169 119.932 120.200 -0.166 0.000 2.077 88 E HA -0.195 4.153 4.350 -0.004 0.000 0.193 88 E C 2.352 178.908 176.600 -0.073 0.000 0.989 88 E CA 0.876 57.198 56.400 -0.130 0.000 0.800 88 E CB -0.015 29.626 29.700 -0.098 0.000 0.746 88 E HN 0.393 nan 8.360 nan 0.000 0.452 89 R N 0.582 121.051 120.500 -0.051 0.000 2.073 89 R HA -0.098 4.240 4.340 -0.004 0.000 0.234 89 R C 2.498 178.783 176.300 -0.024 0.000 1.134 89 R CA 1.120 57.203 56.100 -0.028 0.000 0.952 89 R CB -0.332 29.958 30.300 -0.018 0.000 0.850 89 R HN 0.068 nan 8.270 nan 0.000 0.433 90 R N 0.694 121.175 120.500 -0.032 0.000 2.117 90 R HA -0.161 4.176 4.340 -0.004 0.000 0.243 90 R C 1.969 178.277 176.300 0.013 0.000 1.143 90 R CA 1.706 57.787 56.100 -0.033 0.000 0.968 90 R CB -0.190 30.073 30.300 -0.061 0.000 0.863 90 R HN 0.244 nan 8.270 nan 0.000 0.444 91 A N 0.417 123.254 122.820 0.029 0.000 2.067 91 A HA -0.062 4.255 4.320 -0.004 0.000 0.217 91 A C 1.737 179.359 177.584 0.062 0.000 1.156 91 A CA 0.943 53.043 52.037 0.104 0.000 0.683 91 A CB -0.043 19.009 19.000 0.086 0.000 0.808 91 A HN 0.309 nan 8.150 nan 0.000 0.455 92 K N 0.090 120.505 120.400 0.024 0.000 2.186 92 K HA -0.058 4.260 4.320 -0.004 0.000 0.202 92 K C 1.448 178.058 176.600 0.016 0.000 1.052 92 K CA 1.360 57.658 56.287 0.019 0.000 0.965 92 K CB -0.003 32.499 32.500 0.004 0.000 0.746 92 K HN 0.653 nan 8.250 nan 0.000 0.457 93 K N 0.104 120.509 120.400 0.008 0.000 2.387 93 K HA 0.212 4.530 4.320 -0.004 0.000 0.198 93 K C 0.174 176.773 176.600 -0.003 0.000 1.022 93 K CA 0.096 56.383 56.287 0.001 0.000 1.128 93 K CB 0.330 32.825 32.500 -0.009 0.000 0.853 93 K HN -0.041 nan 8.250 nan 0.000 0.523 94 M N 0.447 120.053 119.600 0.009 0.000 2.531 94 M HA 0.244 4.721 4.480 -0.004 0.000 0.286 94 M C -0.003 176.315 176.300 0.029 0.000 1.232 94 M CA -0.648 54.652 55.300 -0.000 0.000 0.877 94 M CB 2.461 35.041 32.600 -0.035 0.000 1.726 94 M HN -0.073 nan 8.290 nan 0.000 0.463 95 E N 1.109 121.322 120.200 0.023 0.000 2.077 95 E HA -0.098 4.249 4.350 -0.004 0.000 0.193 95 E C 0.334 176.960 176.600 0.043 0.000 0.989 95 E CA 1.007 57.451 56.400 0.073 0.000 0.800 95 E CB 0.221 29.951 29.700 0.049 0.000 0.746 95 E HN 0.421 nan 8.360 nan 0.000 0.452 96 N N -0.368 118.304 118.700 -0.046 0.000 2.500 96 N HA -0.015 4.722 4.740 -0.004 0.000 0.291 96 N C 0.049 175.465 175.510 -0.157 0.000 1.092 96 N CA -0.460 52.518 53.050 -0.120 0.000 0.890 96 N CB 0.726 39.094 38.487 -0.199 0.000 1.466 96 N HN 0.199 nan 8.380 nan 0.000 0.507 97 W N 4.056 125.301 121.300 -0.092 0.000 2.468 97 W HA -0.031 4.626 4.660 -0.005 0.000 0.262 97 W C 0.215 176.644 176.519 -0.150 0.000 1.241 97 W CA 0.197 57.447 57.345 -0.159 0.000 1.232 97 W CB -0.059 29.334 29.460 -0.111 0.000 1.124 97 W HN 0.415 nan 8.180 nan 0.000 0.597 98 L N 1.045 121.719 121.223 -0.915 0.000 2.609 98 L HA 0.198 4.535 4.340 -0.004 0.000 0.230 98 L C 2.518 179.260 176.870 -0.213 0.000 1.087 98 L CA 0.978 55.376 54.840 -0.738 0.000 0.874 98 L CB -0.365 40.863 42.059 -1.384 0.000 1.114 98 L HN -0.213 nan 8.230 nan 0.000 0.488 99 S N 0.186 115.756 115.700 -0.218 0.000 2.404 99 S HA -0.325 4.142 4.470 -0.004 0.000 0.230 99 S C 1.833 176.465 174.600 0.053 0.000 1.046 99 S CA 2.248 60.413 58.200 -0.060 0.000 1.135 99 S CB -0.284 62.855 63.200 -0.102 0.000 1.056 99 S HN 0.610 nan 8.310 nan 0.000 0.426 100 E N -0.746 119.454 120.200 0.001 0.000 2.077 100 E HA -0.178 4.169 4.350 -0.004 0.000 0.193 100 E C 1.937 178.660 176.600 0.204 0.000 0.989 100 E CA 1.186 57.619 56.400 0.055 0.000 0.800 100 E CB -0.109 29.576 29.700 -0.025 0.000 0.746 100 E HN 0.559 nan 8.360 nan 0.000 0.452 101 W N 0.619 121.954 121.300 0.059 0.000 2.355 101 W HA -0.197 4.461 4.660 -0.004 0.000 0.309 101 W C 2.194 178.768 176.519 0.091 0.000 1.206 101 W CA 0.487 57.879 57.345 0.079 0.000 1.284 101 W CB -1.394 28.142 29.460 0.127 0.000 1.145 101 W HN 0.382 nan 8.180 nan 0.000 0.502 102 W N 0.652 122.039 121.300 0.145 0.000 2.379 102 W HA -0.228 4.429 4.660 -0.005 0.000 0.307 102 W C 2.164 178.684 176.519 0.002 0.000 1.200 102 W CA 1.364 58.718 57.345 0.015 0.000 1.297 102 W CB -0.693 28.749 29.460 -0.030 0.000 1.140 102 W HN -0.171 nan 8.180 nan 0.000 0.507 103 L N 2.145 123.415 121.223 0.077 0.000 2.042 103 L HA -0.210 4.127 4.340 -0.004 0.000 0.210 103 L C 2.426 179.273 176.870 -0.038 0.000 1.076 103 L CA 2.470 57.334 54.840 0.039 0.000 0.749 103 L CB -1.196 40.944 42.059 0.134 0.000 0.893 103 L HN -0.092 nan 8.230 nan 0.000 0.432 104 K N -1.171 119.230 120.400 0.001 0.000 2.007 104 K HA -0.137 4.181 4.320 -0.004 0.000 0.206 104 K C 2.000 178.539 176.600 -0.101 0.000 1.047 104 K CA 1.807 58.094 56.287 0.000 0.000 0.937 104 K CB -0.207 32.347 32.500 0.090 0.000 0.718 104 K HN 0.646 nan 8.250 nan 0.000 0.438 105 T N -2.177 112.266 114.554 -0.184 0.000 3.014 105 T HA 0.122 4.469 4.350 -0.004 0.000 0.263 105 T C 1.845 176.251 174.700 -0.490 0.000 1.078 105 T CA 0.677 62.619 62.100 -0.263 0.000 1.135 105 T CB 0.133 68.871 68.868 -0.217 0.000 0.895 105 T HN 0.178 nan 8.240 nan 0.000 0.480 106 A N -0.385 121.906 122.820 -0.881 0.000 1.975 106 A HA 0.351 4.668 4.320 -0.004 0.000 0.215 106 A C 1.629 178.535 177.584 -1.130 0.000 1.170 106 A CA 0.458 51.666 52.037 -1.381 0.000 0.656 106 A CB -0.327 17.130 19.000 -2.572 0.000 0.821 106 A HN 0.664 nan 8.150 nan 0.000 0.449 107 Y N -1.627 118.485 120.300 -0.313 0.000 3.011 107 Y HA 0.261 4.808 4.550 -0.005 0.000 0.231 107 Y C 1.938 177.841 175.900 0.006 0.000 0.983 107 Y CA -0.335 57.714 58.100 -0.086 0.000 1.429 107 Y CB -0.095 38.317 38.460 -0.080 0.000 1.491 107 Y HN -0.015 nan 8.280 nan 0.000 0.444 108 L N 0.681 121.991 121.223 0.144 0.000 2.129 108 L HA -0.264 4.074 4.340 -0.004 0.000 0.212 108 L C 1.625 178.530 176.870 0.058 0.000 1.087 108 L CA 1.684 56.577 54.840 0.088 0.000 0.757 108 L CB -0.506 41.591 42.059 0.063 0.000 0.896 108 L HN 0.434 nan 8.230 nan 0.000 0.434 109 Q N -1.134 118.689 119.800 0.039 0.000 2.319 109 Q HA 0.055 4.392 4.340 -0.004 0.000 0.202 109 Q C 0.016 176.072 176.000 0.092 0.000 0.896 109 Q CA -0.259 55.564 55.803 0.033 0.000 0.942 109 Q CB 0.445 29.178 28.738 -0.009 0.000 1.083 109 Q HN 0.206 nan 8.270 nan 0.000 0.510 110 F N 1.931 121.825 119.950 -0.093 0.000 2.438 110 F HA 0.143 4.667 4.527 -0.005 0.000 0.360 110 F C 0.667 176.403 175.800 -0.108 0.000 1.118 110 F CA -0.583 57.353 58.000 -0.107 0.000 1.164 110 F CB 0.508 39.444 39.000 -0.106 0.000 1.131 110 F HN -0.160 nan 8.300 nan 0.000 0.527 111 R N 2.772 123.119 120.500 -0.255 0.000 2.310 111 R HA 0.082 4.420 4.340 -0.004 0.000 0.202 111 R C 0.577 176.305 176.300 -0.953 0.000 0.933 111 R CA 0.113 55.947 56.100 -0.445 0.000 1.054 111 R CB -0.353 29.837 30.300 -0.183 0.000 0.985 111 R HN 0.619 nan 8.270 nan 0.000 0.489 112 Q N 1.367 120.496 119.800 -1.118 0.000 2.474 112 Q HA 0.150 4.487 4.340 -0.004 0.000 0.256 112 Q C -2.138 173.465 176.000 -0.662 0.000 1.048 112 Q CA -1.569 53.634 55.803 -1.001 0.000 0.922 112 Q CB 0.029 28.014 28.738 -1.255 0.000 1.288 112 Q HN -0.031 nan 8.270 nan 0.000 0.484 113 P HA -0.080 nan 4.420 nan 0.000 0.269 113 P C 0.817 178.061 177.300 -0.092 0.000 1.209 113 P CA 0.125 63.139 63.100 -0.143 0.000 0.776 113 P CB 0.455 32.135 31.700 -0.034 0.000 0.876 114 V N 1.036 120.873 119.914 -0.129 0.000 2.809 114 V HA -0.055 4.062 4.120 -0.004 0.000 0.256 114 V C 0.823 176.846 176.094 -0.118 0.000 1.080 114 V CA 0.908 63.173 62.300 -0.058 0.000 1.102 114 V CB -0.834 30.979 31.823 -0.017 0.000 0.705 114 V HN 0.142 nan 8.190 nan 0.000 0.475 115 V N 1.948 121.675 119.914 -0.312 0.000 2.585 115 V HA 0.231 4.349 4.120 -0.004 0.000 0.296 115 V C 1.444 177.287 176.094 -0.418 0.000 1.035 115 V CA 0.867 62.884 62.300 -0.473 0.000 1.084 115 V CB 0.396 31.733 31.823 -0.810 0.000 0.953 115 V HN 0.605 nan 8.190 nan 0.000 0.483 116 I N 1.375 121.778 120.570 -0.278 0.000 4.088 116 I HA -0.433 3.735 4.170 -0.004 0.000 0.114 116 I C 1.306 177.309 176.117 -0.189 0.000 0.462 116 I CA 1.950 63.081 61.300 -0.281 0.000 1.211 116 I CB -1.204 36.461 38.000 -0.559 0.000 1.072 116 I HN 0.673 nan 8.210 nan 0.000 0.190 117 Y N -0.573 119.793 120.300 0.111 0.000 2.517 117 Y HA 0.059 4.606 4.550 -0.005 0.000 0.281 117 Y C 2.325 178.374 175.900 0.248 0.000 1.125 117 Y CA 0.959 59.174 58.100 0.191 0.000 1.283 117 Y CB 0.371 38.892 38.460 0.101 0.000 1.042 117 Y HN 0.331 nan 8.280 nan 0.000 0.547 118 S N -1.640 114.226 115.700 0.276 0.000 3.448 118 S HA 0.108 4.576 4.470 -0.004 0.000 0.254 118 S C 0.476 175.167 174.600 0.151 0.000 1.102 118 S CA -0.224 58.127 58.200 0.252 0.000 0.797 118 S CB -0.498 62.903 63.200 0.335 0.000 0.891 118 S HN 0.036 nan 8.310 nan 0.000 0.474 119 S N 4.236 119.967 115.700 0.052 0.000 2.481 119 S HA 0.370 4.838 4.470 -0.004 0.000 0.282 119 S C -2.630 171.876 174.600 -0.157 0.000 1.243 119 S CA -0.487 57.659 58.200 -0.090 0.000 1.078 119 S CB 0.879 64.065 63.200 -0.024 0.000 0.916 119 S HN 0.393 nan 8.310 nan 0.000 0.495 120 P HA 0.281 nan 4.420 nan 0.000 0.275 120 P C -0.013 177.096 177.300 -0.317 0.000 1.228 120 P CA -0.210 62.693 63.100 -0.328 0.000 0.786 120 P CB 0.582 31.947 31.700 -0.559 0.000 0.927 121 G N 0.937 109.600 108.800 -0.228 0.000 2.379 121 G HA2 0.567 4.524 3.960 -0.004 0.000 0.327 121 G HA3 0.567 4.524 3.960 -0.004 0.000 0.327 121 G C -1.332 172.966 174.900 -1.003 0.000 1.145 121 G CA -0.431 44.489 45.100 -0.301 0.000 0.905 121 G HN 0.361 nan 8.290 nan 0.000 0.466 122 V N 2.834 122.416 119.914 -0.553 0.000 2.709 122 V HA 0.510 4.627 4.120 -0.004 0.000 0.308 122 V C -0.526 175.495 176.094 -0.122 0.000 1.062 122 V CA -0.798 61.213 62.300 -0.481 0.000 0.901 122 V CB 1.978 33.693 31.823 -0.180 0.000 1.003 122 V HN 0.760 nan 8.190 nan 0.000 0.425 123 I N 5.188 125.755 120.570 -0.005 0.000 2.389 123 I HA 0.544 4.711 4.170 -0.004 0.000 0.288 123 I C -0.832 175.344 176.117 0.100 0.000 0.999 123 I CA -0.399 60.998 61.300 0.162 0.000 1.129 123 I CB 1.086 39.270 38.000 0.307 0.000 1.288 123 I HN 0.530 nan 8.210 nan 0.000 0.444 124 L N 7.881 129.166 121.223 0.103 0.000 2.431 124 L HA 0.562 4.899 4.340 -0.004 0.000 0.260 124 L C -2.182 174.732 176.870 0.073 0.000 1.098 124 L CA -1.968 52.930 54.840 0.096 0.000 0.800 124 L CB 0.496 42.639 42.059 0.141 0.000 1.210 124 L HN 0.437 nan 8.230 nan 0.000 0.465 125 P HA 0.020 nan 4.420 nan 0.000 0.267 125 P C -0.798 176.491 177.300 -0.019 0.000 1.209 125 P CA -0.107 63.011 63.100 0.030 0.000 0.763 125 P CB 0.406 32.127 31.700 0.036 0.000 0.816 126 K N 2.947 123.322 120.400 -0.041 0.000 2.494 126 K HA -0.035 4.283 4.320 -0.004 0.000 0.273 126 K C 0.327 176.799 176.600 -0.213 0.000 0.970 126 K CA 0.190 56.407 56.287 -0.116 0.000 0.963 126 K CB 0.336 32.790 32.500 -0.077 0.000 0.913 126 K HN 0.406 nan 8.250 nan 0.000 0.502 127 Q N 1.199 120.764 119.800 -0.392 0.000 2.240 127 Q HA 0.079 4.416 4.340 -0.004 0.000 0.260 127 Q C -0.003 175.720 176.000 -0.461 0.000 1.018 127 Q CA -0.351 55.169 55.803 -0.472 0.000 0.898 127 Q CB 1.468 29.748 28.738 -0.763 0.000 1.301 127 Q HN 0.806 nan 8.270 nan 0.000 0.469 128 D N -1.052 119.162 120.400 -0.309 0.000 2.369 128 D HA 0.009 4.646 4.640 -0.004 0.000 0.211 128 D C 0.406 176.593 176.300 -0.187 0.000 1.077 128 D CA -0.217 53.645 54.000 -0.230 0.000 0.842 128 D CB -0.398 40.337 40.800 -0.109 0.000 0.947 128 D HN 0.327 nan 8.370 nan 0.000 0.509 129 F N 0.959 120.851 119.950 -0.097 0.000 2.563 129 F HA 0.274 4.799 4.527 -0.004 0.000 0.363 129 F C 1.087 176.852 175.800 -0.058 0.000 1.123 129 F CA -1.093 56.868 58.000 -0.066 0.000 1.307 129 F CB 0.568 39.539 39.000 -0.049 0.000 1.115 129 F HN -0.161 nan 8.300 nan 0.000 0.592 130 V N -1.521 118.503 119.914 0.183 0.000 3.477 130 V HA 0.305 4.422 4.120 -0.004 0.000 0.297 130 V C -0.570 175.603 176.094 0.131 0.000 1.433 130 V CA 0.320 62.677 62.300 0.094 0.000 1.052 130 V CB -0.781 31.051 31.823 0.015 0.000 0.895 130 V HN 0.894 nan 8.190 nan 0.000 0.438 131 D N -1.015 119.481 120.400 0.161 0.000 2.592 131 D HA 0.341 4.979 4.640 -0.004 0.000 0.263 131 D C 0.752 177.053 176.300 0.002 0.000 1.132 131 D CA -0.618 53.421 54.000 0.065 0.000 0.996 131 D CB 1.689 42.495 40.800 0.009 0.000 1.442 131 D HN -0.084 nan 8.370 nan 0.000 0.486 132 L N 0.053 121.218 121.223 -0.096 0.000 2.043 132 L HA -0.164 4.173 4.340 -0.004 0.000 0.212 132 L C 2.197 178.891 176.870 -0.293 0.000 1.075 132 L CA 2.114 56.805 54.840 -0.248 0.000 0.752 132 L CB -0.856 40.960 42.059 -0.405 0.000 0.891 132 L HN 0.692 nan 8.230 nan 0.000 0.432 133 Q N -0.938 118.739 119.800 -0.205 0.000 2.124 133 Q HA -0.166 4.171 4.340 -0.004 0.000 0.202 133 Q C 2.022 177.948 176.000 -0.124 0.000 0.977 133 Q CA 1.536 57.279 55.803 -0.100 0.000 0.850 133 Q CB -0.436 28.265 28.738 -0.062 0.000 0.901 133 Q HN 0.683 nan 8.270 nan 0.000 0.429 134 G N 0.305 109.019 108.800 -0.143 0.000 2.422 134 G HA2 -0.300 3.658 3.960 -0.004 0.000 0.218 134 G HA3 -0.300 3.658 3.960 -0.004 0.000 0.218 134 G C 1.199 175.778 174.900 -0.534 0.000 1.140 134 G CA 0.682 45.703 45.100 -0.132 0.000 0.775 134 G HN 0.403 nan 8.290 nan 0.000 0.545 135 Q N -0.365 118.908 119.800 -0.879 0.000 2.079 135 Q HA 0.043 4.380 4.340 -0.004 0.000 0.200 135 Q C 2.528 178.252 176.000 -0.460 0.000 0.974 135 Q CA 0.801 55.871 55.803 -1.221 0.000 0.840 135 Q CB -0.160 28.135 28.738 -0.738 0.000 0.898 135 Q HN 0.502 nan 8.270 nan 0.000 0.430 136 L N 0.041 121.121 121.223 -0.239 0.000 2.109 136 L HA -0.132 4.205 4.340 -0.004 0.000 0.207 136 L C 2.658 179.617 176.870 0.148 0.000 1.086 136 L CA 0.547 55.368 54.840 -0.030 0.000 0.760 136 L CB -0.379 41.680 42.059 0.001 0.000 0.910 136 L HN 0.138 nan 8.230 nan 0.000 0.437 137 R N -0.101 120.446 120.500 0.079 0.000 2.070 137 R HA -0.185 4.153 4.340 -0.004 0.000 0.233 137 R C 2.229 178.546 176.300 0.029 0.000 1.137 137 R CA 1.657 57.746 56.100 -0.018 0.000 0.945 137 R CB -1.105 29.093 30.300 -0.169 0.000 0.845 137 R HN 0.237 nan 8.270 nan 0.000 0.430 138 F N 1.627 121.524 119.950 -0.088 0.000 2.069 138 F HA -0.198 4.327 4.527 -0.004 0.000 0.298 138 F C 2.329 178.128 175.800 -0.002 0.000 1.113 138 F CA 1.529 59.525 58.000 -0.007 0.000 1.214 138 F CB -0.686 38.360 39.000 0.077 0.000 0.978 138 F HN 0.073 nan 8.300 nan 0.000 0.474 139 A N 0.522 123.305 122.820 -0.061 0.000 1.927 139 A HA -0.210 4.107 4.320 -0.004 0.000 0.220 139 A C 2.426 179.917 177.584 -0.155 0.000 1.185 139 A CA 2.430 54.396 52.037 -0.119 0.000 0.639 139 A CB -1.692 17.303 19.000 -0.007 0.000 0.820 139 A HN 0.607 nan 8.150 nan 0.000 0.451 140 A N -0.868 121.906 122.820 -0.076 0.000 1.873 140 A HA -0.110 4.207 4.320 -0.004 0.000 0.215 140 A C 2.148 179.678 177.584 -0.090 0.000 1.186 140 A CA 1.686 53.699 52.037 -0.039 0.000 0.616 140 A CB -0.391 18.652 19.000 0.072 0.000 0.823 140 A HN 0.361 nan 8.150 nan 0.000 0.442 141 K N -0.442 119.882 120.400 -0.126 0.000 2.032 141 K HA -0.152 4.165 4.320 -0.004 0.000 0.209 141 K C 2.005 178.499 176.600 -0.176 0.000 1.048 141 K CA 1.555 57.779 56.287 -0.105 0.000 0.927 141 K CB -0.762 31.672 32.500 -0.110 0.000 0.712 141 K HN 0.553 nan 8.250 nan 0.000 0.441 142 L N 1.078 122.056 121.223 -0.408 0.000 2.012 142 L HA -0.195 4.142 4.340 -0.004 0.000 0.210 142 L C 2.304 178.966 176.870 -0.348 0.000 1.073 142 L CA 1.279 55.847 54.840 -0.454 0.000 0.748 142 L CB -0.223 41.449 42.059 -0.645 0.000 0.891 142 L HN 0.116 nan 8.230 nan 0.000 0.431 143 I N -0.178 120.259 120.570 -0.222 0.000 2.163 143 I HA -0.355 3.813 4.170 -0.004 0.000 0.243 143 I C 2.560 178.626 176.117 -0.086 0.000 1.085 143 I CA 1.892 63.157 61.300 -0.059 0.000 1.347 143 I CB -0.507 37.497 38.000 0.008 0.000 1.044 143 I HN 0.448 nan 8.210 nan 0.000 0.408 144 E N 1.093 121.226 120.200 -0.111 0.000 2.160 144 E HA -0.197 4.150 4.350 -0.004 0.000 0.195 144 E C 2.244 178.649 176.600 -0.326 0.000 0.991 144 E CA 1.303 57.628 56.400 -0.124 0.000 0.810 144 E CB -0.167 29.540 29.700 0.011 0.000 0.742 144 E HN 0.539 nan 8.360 nan 0.000 0.466 145 G N 0.527 109.109 108.800 -0.362 0.000 2.421 145 G HA2 -0.232 3.725 3.960 -0.004 0.000 0.216 145 G HA3 -0.232 3.725 3.960 -0.004 0.000 0.216 145 G C 1.648 176.341 174.900 -0.346 0.000 1.171 145 G CA 0.936 45.694 45.100 -0.569 0.000 0.775 145 G HN 0.231 nan 8.290 nan 0.000 0.543 146 V N 1.064 120.799 119.914 -0.299 0.000 2.343 146 V HA -0.112 4.005 4.120 -0.004 0.000 0.247 146 V C 2.900 178.997 176.094 0.005 0.000 1.051 146 V CA 1.347 63.522 62.300 -0.209 0.000 1.036 146 V CB -0.419 31.072 31.823 -0.555 0.000 0.654 146 V HN 0.335 nan 8.190 nan 0.000 0.451 147 L N 0.111 121.327 121.223 -0.010 0.000 2.131 147 L HA -0.188 4.149 4.340 -0.004 0.000 0.210 147 L C 2.329 179.194 176.870 -0.008 0.000 1.092 147 L CA 1.919 56.774 54.840 0.025 0.000 0.759 147 L CB -0.631 41.381 42.059 -0.079 0.000 0.903 147 L HN 0.423 nan 8.230 nan 0.000 0.435 148 D N 0.009 120.340 120.400 -0.115 0.000 2.144 148 D HA -0.255 4.383 4.640 -0.004 0.000 0.200 148 D C 2.070 178.355 176.300 -0.026 0.000 0.978 148 D CA 1.050 54.998 54.000 -0.087 0.000 0.833 148 D CB -0.050 40.581 40.800 -0.281 0.000 0.961 148 D HN 0.268 nan 8.370 nan 0.000 0.470 149 F N 0.676 120.485 119.950 -0.235 0.000 2.186 149 F HA -0.029 4.496 4.527 -0.004 0.000 0.299 149 F C 2.216 177.879 175.800 -0.229 0.000 1.090 149 F CA 0.962 58.727 58.000 -0.393 0.000 1.307 149 F CB 0.052 38.852 39.000 -0.333 0.000 1.019 149 F HN -0.141 nan 8.300 nan 0.000 0.489 150 K N 0.268 120.626 120.400 -0.070 0.000 2.097 150 K HA -0.170 4.148 4.320 -0.004 0.000 0.205 150 K C 2.290 178.813 176.600 -0.129 0.000 1.050 150 K CA 1.470 57.698 56.287 -0.099 0.000 0.938 150 K CB -0.264 32.289 32.500 0.088 0.000 0.718 150 K HN 0.368 nan 8.250 nan 0.000 0.442 151 S N 0.677 116.334 115.700 -0.071 0.000 2.383 151 S HA -0.191 4.277 4.470 -0.004 0.000 0.229 151 S C 2.052 176.568 174.600 -0.140 0.000 1.030 151 S CA 1.297 59.461 58.200 -0.060 0.000 1.002 151 S CB -0.330 62.866 63.200 -0.006 0.000 0.829 151 S HN 0.319 nan 8.310 nan 0.000 0.467 152 M N 0.716 120.179 119.600 -0.229 0.000 2.175 152 M HA 0.050 4.528 4.480 -0.004 0.000 0.264 152 M C 2.166 178.254 176.300 -0.353 0.000 1.063 152 M CA 1.447 56.573 55.300 -0.289 0.000 1.119 152 M CB -0.573 31.796 32.600 -0.386 0.000 1.377 152 M HN 0.373 nan 8.290 nan 0.000 0.415 153 I N -0.311 119.987 120.570 -0.453 0.000 2.353 153 I HA -0.252 3.915 4.170 -0.004 0.000 0.248 153 I C 1.836 177.784 176.117 -0.282 0.000 1.119 153 I CA 0.873 61.872 61.300 -0.502 0.000 1.417 153 I CB -0.591 37.044 38.000 -0.609 0.000 1.078 153 I HN 0.235 nan 8.210 nan 0.000 0.421 154 D N 1.308 121.604 120.400 -0.173 0.000 2.084 154 D HA -0.145 4.493 4.640 -0.004 0.000 0.194 154 D C 1.761 178.039 176.300 -0.036 0.000 0.990 154 D CA 1.244 55.205 54.000 -0.065 0.000 0.826 154 D CB -0.485 40.279 40.800 -0.061 0.000 0.971 154 D HN 0.307 nan 8.370 nan 0.000 0.453 155 N N 1.037 119.695 118.700 -0.069 0.000 2.520 155 N HA -0.116 4.622 4.740 -0.004 0.000 0.185 155 N C 0.027 175.504 175.510 -0.056 0.000 1.068 155 N CA 0.408 53.425 53.050 -0.055 0.000 0.911 155 N CB 0.069 38.516 38.487 -0.067 0.000 0.961 155 N HN 0.391 nan 8.380 nan 0.000 0.446 156 E N -1.604 118.556 120.200 -0.068 0.000 2.694 156 E HA -0.169 4.178 4.350 -0.004 0.000 0.272 156 E C 0.010 176.530 176.600 -0.134 0.000 1.040 156 E CA 0.887 57.257 56.400 -0.050 0.000 0.809 156 E CB -1.829 27.887 29.700 0.027 0.000 1.389 156 E HN 0.567 nan 8.360 nan 0.000 0.413 157 T N -2.245 112.212 114.554 -0.161 0.000 3.086 157 T HA 0.210 4.557 4.350 -0.004 0.000 0.250 157 T C 0.660 175.244 174.700 -0.194 0.000 1.074 157 T CA -0.335 61.667 62.100 -0.164 0.000 0.988 157 T CB 0.198 68.993 68.868 -0.122 0.000 0.988 157 T HN 0.158 nan 8.240 nan 0.000 0.530 158 L N 3.617 124.680 121.223 -0.265 0.000 2.562 158 L HA 0.317 4.654 4.340 -0.004 0.000 0.271 158 L C -2.515 174.188 176.870 -0.277 0.000 1.167 158 L CA -1.754 52.885 54.840 -0.334 0.000 0.917 158 L CB -0.182 41.550 42.059 -0.545 0.000 1.187 158 L HN -0.087 nan 8.230 nan 0.000 0.482 159 P HA -0.073 nan 4.420 nan 0.000 0.255 159 P C -0.443 176.723 177.300 -0.222 0.000 1.161 159 P CA 0.049 63.058 63.100 -0.152 0.000 0.768 159 P CB 0.235 31.891 31.700 -0.072 0.000 0.746 160 V N 4.518 124.269 119.914 -0.271 0.000 2.788 160 V HA -0.086 4.032 4.120 -0.004 0.000 0.307 160 V C 0.919 176.728 176.094 -0.475 0.000 1.069 160 V CA 0.775 62.765 62.300 -0.517 0.000 1.173 160 V CB 0.128 31.557 31.823 -0.656 0.000 0.925 160 V HN 0.554 nan 8.190 nan 0.000 0.492 161 E N 3.867 123.747 120.200 -0.533 0.000 2.235 161 E HA 0.664 5.012 4.350 -0.004 0.000 0.265 161 E C -1.468 174.776 176.600 -0.594 0.000 0.940 161 E CA -0.416 55.778 56.400 -0.342 0.000 0.819 161 E CB 2.095 31.750 29.700 -0.075 0.000 1.206 161 E HN 0.471 nan 8.360 nan 0.000 0.409 162 F N 0.262 120.266 119.950 0.091 0.000 2.692 162 F HA 0.524 5.048 4.527 -0.004 0.000 0.320 162 F C -1.106 174.728 175.800 0.056 0.000 1.123 162 F CA -1.120 56.931 58.000 0.084 0.000 0.961 162 F CB 1.355 40.397 39.000 0.071 0.000 1.383 162 F HN 0.201 nan 8.300 nan 0.000 0.483 163 L N 1.055 122.434 121.223 0.261 0.000 2.528 163 L HA 0.643 4.981 4.340 -0.004 0.000 0.267 163 L C 0.204 177.141 176.870 0.111 0.000 0.961 163 L CA 0.172 55.098 54.840 0.144 0.000 0.866 163 L CB 1.214 43.330 42.059 0.094 0.000 1.248 163 L HN 0.880 nan 8.230 nan 0.000 0.404 164 G N 3.178 112.027 108.800 0.082 0.000 2.228 164 G HA2 -0.086 3.871 3.960 -0.004 0.000 0.270 164 G HA3 -0.086 3.871 3.960 -0.004 0.000 0.270 164 G C 1.123 176.040 174.900 0.028 0.000 0.976 164 G CA 0.927 46.056 45.100 0.047 0.000 0.636 164 G HN 2.262 nan 8.290 nan 0.000 0.542 165 G N -2.231 106.600 108.800 0.051 0.000 2.198 165 G HA2 -0.028 3.930 3.960 -0.004 0.000 0.156 165 G HA3 -0.028 3.930 3.960 -0.004 0.000 0.156 165 G C -0.095 174.841 174.900 0.061 0.000 1.012 165 G CA 0.588 45.675 45.100 -0.022 0.000 0.692 165 G HN 0.916 nan 8.290 nan 0.000 0.492 166 Q N 0.666 120.556 119.800 0.150 0.000 2.256 166 Q HA 0.465 4.802 4.340 -0.004 0.000 0.257 166 Q C -2.563 173.610 176.000 0.288 0.000 0.936 166 Q CA -1.814 54.074 55.803 0.142 0.000 0.903 166 Q CB 2.092 30.842 28.738 0.020 0.000 1.263 166 Q HN 0.177 nan 8.270 nan 0.000 0.440 167 P HA 0.119 nan 4.420 nan 0.000 0.269 167 P C -0.611 176.676 177.300 -0.023 0.000 1.215 167 P CA 0.094 63.238 63.100 0.073 0.000 0.780 167 P CB 0.570 32.134 31.700 -0.226 0.000 0.898 168 L N 1.681 122.909 121.223 0.009 0.000 2.341 168 L HA 0.356 4.694 4.340 -0.004 0.000 0.278 168 L C 0.397 177.354 176.870 0.145 0.000 1.005 168 L CA -1.066 53.803 54.840 0.048 0.000 0.818 168 L CB 1.750 43.837 42.059 0.046 0.000 1.259 168 L HN 0.484 nan 8.230 nan 0.000 0.418 169 C N 4.932 124.300 119.300 0.113 0.000 2.563 169 C HA 0.013 4.471 4.460 -0.004 0.000 0.411 169 C C 1.535 176.654 174.990 0.214 0.000 1.386 169 C CA -0.128 58.994 59.018 0.174 0.000 1.703 169 C CB -0.018 27.818 27.740 0.161 0.000 2.596 169 C HN 0.799 nan 8.230 nan 0.000 0.605 170 M N 4.886 124.650 119.600 0.273 0.000 2.356 170 M HA 0.081 4.559 4.480 -0.004 0.000 0.262 170 M C 1.528 178.092 176.300 0.440 0.000 1.097 170 M CA 0.368 55.892 55.300 0.373 0.000 0.991 170 M CB -1.623 31.157 32.600 0.299 0.000 1.450 170 M HN 0.899 nan 8.290 nan 0.000 0.495 171 N N 1.340 120.206 118.700 0.278 0.000 2.272 171 N HA -0.172 4.566 4.740 -0.004 0.000 0.185 171 N C 1.547 177.194 175.510 0.228 0.000 1.014 171 N CA 1.392 54.579 53.050 0.228 0.000 0.870 171 N CB 0.165 38.702 38.487 0.083 0.000 0.975 171 N HN 0.438 nan 8.380 nan 0.000 0.433 172 Q N -1.432 118.429 119.800 0.101 0.000 2.291 172 Q HA -0.124 4.213 4.340 -0.004 0.000 0.205 172 Q C 0.983 176.932 176.000 -0.084 0.000 0.970 172 Q CA 0.908 56.688 55.803 -0.038 0.000 0.876 172 Q CB -0.069 28.568 28.738 -0.168 0.000 0.935 172 Q HN 0.595 nan 8.270 nan 0.000 0.455 173 Y N -1.525 118.814 120.300 0.065 0.000 2.439 173 Y HA -0.155 4.392 4.550 -0.004 0.000 0.292 173 Y C 1.139 176.915 175.900 -0.206 0.000 1.130 173 Y CA 0.793 58.831 58.100 -0.103 0.000 1.254 173 Y CB 0.070 38.379 38.460 -0.252 0.000 1.000 173 Y HN 0.165 nan 8.280 nan 0.000 0.554 174 Y N -0.818 119.543 120.300 0.102 0.000 2.523 174 Y HA -0.059 4.489 4.550 -0.004 0.000 0.279 174 Y C 1.910 177.833 175.900 0.038 0.000 1.139 174 Y CA 0.135 58.270 58.100 0.058 0.000 1.296 174 Y CB 0.045 38.533 38.460 0.046 0.000 1.045 174 Y HN 0.084 nan 8.280 nan 0.000 0.538 175 Q N 0.212 120.098 119.800 0.144 0.000 2.204 175 Q HA 0.031 4.368 4.340 -0.004 0.000 0.198 175 Q C 2.312 178.345 176.000 0.054 0.000 0.946 175 Q CA 1.042 56.893 55.803 0.081 0.000 0.859 175 Q CB -0.409 28.360 28.738 0.052 0.000 0.946 175 Q HN 0.721 nan 8.270 nan 0.000 0.474 176 I N -2.252 118.338 120.570 0.033 0.000 2.614 176 I HA -0.030 4.138 4.170 -0.004 0.000 0.258 176 I C 0.541 176.716 176.117 0.098 0.000 1.189 176 I CA 0.543 61.861 61.300 0.030 0.000 1.462 176 I CB -0.136 37.853 38.000 -0.019 0.000 1.092 176 I HN -0.094 nan 8.210 nan 0.000 0.442 177 L N 0.947 122.243 121.223 0.121 0.000 2.344 177 L HA 0.359 4.696 4.340 -0.004 0.000 0.272 177 L C 0.916 177.892 176.870 0.176 0.000 1.035 177 L CA -0.732 54.217 54.840 0.183 0.000 0.807 177 L CB 1.546 43.710 42.059 0.175 0.000 1.237 177 L HN 0.084 nan 8.230 nan 0.000 0.442 178 S N 0.207 116.031 115.700 0.207 0.000 3.581 178 S HA -0.167 4.301 4.470 -0.004 0.000 0.354 178 S C 0.047 174.804 174.600 0.263 0.000 1.059 178 S CA 0.964 59.295 58.200 0.218 0.000 1.060 178 S CB -1.246 62.086 63.200 0.219 0.000 0.908 178 S HN 0.874 nan 8.310 nan 0.000 0.475 179 S N -1.336 114.487 115.700 0.204 0.000 2.709 179 S HA 0.900 5.367 4.470 -0.004 0.000 0.302 179 S C -0.361 174.351 174.600 0.187 0.000 1.127 179 S CA -0.358 57.931 58.200 0.149 0.000 0.905 179 S CB 2.625 65.868 63.200 0.071 0.000 1.151 179 S HN 0.890 nan 8.310 nan 0.000 0.510 180 C N 0.447 119.839 119.300 0.154 0.000 3.247 180 C HA 0.637 5.094 4.460 -0.004 0.000 0.375 180 C C -0.662 174.416 174.990 0.146 0.000 1.102 180 C CA -0.481 58.655 59.018 0.196 0.000 1.227 180 C CB 1.273 29.177 27.740 0.273 0.000 1.586 180 C HN 1.208 nan 8.230 nan 0.000 0.544 181 R N 2.817 123.408 120.500 0.152 0.000 2.490 181 R HA 0.728 5.065 4.340 -0.004 0.000 0.278 181 R C -1.209 175.146 176.300 0.093 0.000 1.069 181 R CA -0.115 56.047 56.100 0.105 0.000 1.080 181 R CB 0.883 31.244 30.300 0.102 0.000 1.030 181 R HN 0.614 nan 8.270 nan 0.000 0.491 182 V N 6.648 126.575 119.914 0.022 0.000 2.444 182 V HA 0.349 4.466 4.120 -0.004 0.000 0.294 182 V C -2.205 173.785 176.094 -0.173 0.000 1.022 182 V CA -2.248 60.004 62.300 -0.081 0.000 0.850 182 V CB 1.675 33.493 31.823 -0.008 0.000 0.992 182 V HN 0.864 nan 8.190 nan 0.000 0.426 183 P HA 0.331 nan 4.420 nan 0.000 0.268 183 P C 0.017 177.203 177.300 -0.190 0.000 1.208 183 P CA 0.274 63.143 63.100 -0.385 0.000 0.777 183 P CB 0.669 31.846 31.700 -0.870 0.000 0.875 184 G N 1.921 110.659 108.800 -0.103 0.000 2.682 184 G HA2 0.416 4.374 3.960 -0.004 0.000 0.300 184 G HA3 0.416 4.374 3.960 -0.004 0.000 0.300 184 G C -2.183 172.702 174.900 -0.024 0.000 1.391 184 G CA -1.323 43.757 45.100 -0.035 0.000 0.990 184 G HN 0.191 nan 8.290 nan 0.000 0.501 185 P HA -0.161 nan 4.420 nan 0.000 0.217 185 P C 1.008 178.312 177.300 0.007 0.000 1.148 185 P CA 1.261 64.360 63.100 -0.000 0.000 0.828 185 P CB 0.652 32.354 31.700 0.004 0.000 0.783 186 K N -0.729 119.676 120.400 0.008 0.000 2.344 186 K HA 0.060 4.377 4.320 -0.004 0.000 0.200 186 K C 0.776 177.384 176.600 0.013 0.000 1.132 186 K CA 0.305 56.600 56.287 0.013 0.000 0.935 186 K CB 0.649 33.158 32.500 0.015 0.000 1.089 186 K HN 0.197 nan 8.250 nan 0.000 0.496 187 Q N 0.876 120.683 119.800 0.011 0.000 2.320 187 Q HA 0.284 4.621 4.340 -0.004 0.000 0.272 187 Q C -1.626 174.381 176.000 0.011 0.000 1.023 187 Q CA -1.046 54.766 55.803 0.015 0.000 0.855 187 Q CB 1.726 30.478 28.738 0.023 0.000 1.367 187 Q HN -0.137 nan 8.270 nan 0.000 0.406 188 D N 1.472 121.879 120.400 0.012 0.000 2.356 188 D HA 0.464 5.101 4.640 -0.004 0.000 0.258 188 D C 0.092 176.404 176.300 0.020 0.000 1.279 188 D CA 0.248 54.251 54.000 0.004 0.000 1.016 188 D CB 0.677 41.484 40.800 0.012 0.000 1.107 188 D HN 0.708 nan 8.370 nan 0.000 0.544 189 S N -2.113 113.598 115.700 0.019 0.000 2.688 189 S HA 0.687 5.155 4.470 -0.004 0.000 0.275 189 S C -1.405 173.211 174.600 0.026 0.000 1.175 189 S CA -0.901 57.315 58.200 0.025 0.000 0.818 189 S CB 1.099 64.312 63.200 0.021 0.000 1.157 189 S HN 0.151 nan 8.310 nan 0.000 0.482 190 V N 1.397 121.321 119.914 0.017 0.000 2.638 190 V HA 0.720 4.837 4.120 -0.004 0.000 0.306 190 V C -0.325 175.742 176.094 -0.044 0.000 1.052 190 V CA -0.621 61.683 62.300 0.006 0.000 0.885 190 V CB 1.380 33.211 31.823 0.013 0.000 0.999 190 V HN 1.154 nan 8.190 nan 0.000 0.424 191 V N 1.632 121.499 119.914 -0.079 0.000 2.547 191 V HA 0.715 4.832 4.120 -0.004 0.000 0.299 191 V C -0.477 175.370 176.094 -0.411 0.000 1.040 191 V CA -0.580 61.559 62.300 -0.269 0.000 0.913 191 V CB 1.638 33.309 31.823 -0.254 0.000 0.992 191 V HN 0.961 nan 8.190 nan 0.000 0.449 192 N N 1.751 120.083 118.700 -0.614 0.000 2.310 192 N HA 0.607 5.345 4.740 -0.004 0.000 0.292 192 N C -0.865 174.298 175.510 -0.578 0.000 1.049 192 N CA -0.697 52.091 53.050 -0.437 0.000 0.849 192 N CB 1.863 40.260 38.487 -0.150 0.000 1.532 192 N HN 0.660 nan 8.380 nan 0.000 0.479 193 F N 2.554 122.546 119.950 0.071 0.000 2.706 193 F HA 0.226 4.750 4.527 -0.004 0.000 0.313 193 F C 1.526 177.363 175.800 0.062 0.000 1.096 193 F CA -0.493 57.544 58.000 0.063 0.000 1.219 193 F CB 0.288 39.325 39.000 0.062 0.000 1.051 193 F HN 0.406 nan 8.300 nan 0.000 0.568 194 L N 0.954 122.290 121.223 0.189 0.000 2.034 194 L HA -0.171 4.166 4.340 -0.004 0.000 0.217 194 L C 1.321 178.270 176.870 0.131 0.000 1.077 194 L CA 2.069 57.001 54.840 0.152 0.000 0.769 194 L CB -0.249 41.897 42.059 0.144 0.000 0.890 194 L HN -0.135 nan 8.230 nan 0.000 0.435 195 K N 0.324 120.798 120.400 0.124 0.000 3.135 195 K HA 0.301 4.618 4.320 -0.004 0.000 0.210 195 K C 0.155 176.807 176.600 0.086 0.000 1.176 195 K CA 0.300 56.645 56.287 0.097 0.000 1.064 195 K CB 0.130 32.683 32.500 0.089 0.000 1.009 195 K HN 0.493 nan 8.250 nan 0.000 0.472 196 S N -1.054 114.714 115.700 0.115 0.000 2.738 196 S HA 0.361 4.829 4.470 -0.004 0.000 0.284 196 S C 1.268 175.915 174.600 0.079 0.000 1.146 196 S CA -0.646 57.623 58.200 0.116 0.000 0.997 196 S CB 1.774 65.093 63.200 0.198 0.000 1.081 196 S HN 0.114 nan 8.310 nan 0.000 0.553 197 K N 0.681 121.121 120.400 0.067 0.000 2.063 197 K HA -0.090 4.228 4.320 -0.004 0.000 0.208 197 K C 0.858 177.478 176.600 0.033 0.000 1.048 197 K CA 1.316 57.628 56.287 0.042 0.000 0.928 197 K CB -0.201 32.320 32.500 0.036 0.000 0.713 197 K HN 0.683 nan 8.250 nan 0.000 0.442 198 R N 1.092 121.616 120.500 0.040 0.000 3.057 198 R HA 0.315 4.652 4.340 -0.004 0.000 0.291 198 R C -2.920 173.401 176.300 0.035 0.000 1.394 198 R CA -1.722 54.392 56.100 0.023 0.000 1.630 198 R CB 0.247 30.553 30.300 0.009 0.000 1.268 198 R HN -0.149 nan 8.270 nan 0.000 0.621 199 P HA 0.055 nan 4.420 nan 0.000 0.266 199 P C -2.343 174.985 177.300 0.048 0.000 1.193 199 P CA -0.655 62.484 63.100 0.065 0.000 0.770 199 P CB 0.110 31.833 31.700 0.040 0.000 0.836 200 P HA 0.054 nan 4.420 nan 0.000 0.269 200 P C 0.454 177.807 177.300 0.090 0.000 1.215 200 P CA 0.308 63.456 63.100 0.080 0.000 0.780 200 P CB 0.313 32.021 31.700 0.014 0.000 0.898 201 T N -2.862 111.792 114.554 0.166 0.000 3.144 201 T HA 0.197 4.545 4.350 -0.004 0.000 0.290 201 T C 0.086 174.933 174.700 0.245 0.000 0.966 201 T CA -0.313 61.958 62.100 0.284 0.000 0.907 201 T CB -0.875 68.132 68.868 0.231 0.000 1.152 201 T HN 0.611 nan 8.240 nan 0.000 0.532 202 H N 0.512 119.598 119.070 0.026 0.000 2.731 202 H HA 0.830 5.384 4.556 -0.004 0.000 0.368 202 H C -0.350 174.901 175.328 -0.128 0.000 1.168 202 H CA -1.434 54.580 56.048 -0.058 0.000 1.181 202 H CB 1.488 31.222 29.762 -0.047 0.000 1.743 202 H HN 0.361 nan 8.280 nan 0.000 0.547 203 I N -0.994 119.387 120.570 -0.316 0.000 3.170 203 I HA 0.672 4.840 4.170 -0.004 0.000 0.312 203 I C -0.878 175.179 176.117 -0.100 0.000 1.085 203 I CA -1.238 59.809 61.300 -0.423 0.000 0.999 203 I CB 2.619 40.238 38.000 -0.634 0.000 1.233 203 I HN 0.772 nan 8.210 nan 0.000 0.467 204 T N 0.559 115.098 114.554 -0.025 0.000 2.807 204 T HA 0.712 5.060 4.350 -0.004 0.000 0.279 204 T C -0.481 174.335 174.700 0.193 0.000 0.993 204 T CA -0.663 61.534 62.100 0.162 0.000 0.970 204 T CB 1.599 70.606 68.868 0.232 0.000 0.950 204 T HN 0.447 nan 8.240 nan 0.000 0.441 205 V N 3.123 123.168 119.914 0.219 0.000 2.555 205 V HA 0.717 4.834 4.120 -0.004 0.000 0.302 205 V C -0.407 175.806 176.094 0.198 0.000 1.038 205 V CA -0.852 61.553 62.300 0.176 0.000 0.887 205 V CB 1.855 33.734 31.823 0.093 0.000 0.991 205 V HN 0.845 nan 8.190 nan 0.000 0.434 206 V N 4.557 124.519 119.914 0.079 0.000 2.531 206 V HA 0.694 4.811 4.120 -0.004 0.000 0.301 206 V C -1.336 174.807 176.094 0.082 0.000 1.034 206 V CA -0.263 61.984 62.300 -0.089 0.000 0.865 206 V CB 1.828 33.245 31.823 -0.676 0.000 0.995 206 V HN 1.062 nan 8.190 nan 0.000 0.424 207 H N 5.498 124.593 119.070 0.042 0.000 2.759 207 H HA 0.495 5.048 4.556 -0.004 0.000 0.354 207 H C 0.303 175.665 175.328 0.057 0.000 1.074 207 H CA -0.241 55.843 56.048 0.060 0.000 1.226 207 H CB 1.193 30.991 29.762 0.059 0.000 1.648 207 H HN 0.719 nan 8.280 nan 0.000 0.529 208 N N 4.165 122.503 118.700 -0.603 0.000 2.727 208 N HA -0.261 4.477 4.740 -0.004 0.000 0.249 208 N C -0.509 174.806 175.510 -0.326 0.000 1.048 208 N CA 1.712 54.387 53.050 -0.624 0.000 0.714 208 N CB -1.605 36.486 38.487 -0.659 0.000 0.959 208 N HN 0.905 nan 8.380 nan 0.000 0.544 209 Y N -4.572 115.681 120.300 -0.078 0.000 4.894 209 Y HA -0.406 4.141 4.550 -0.004 0.000 0.270 209 Y C 0.393 176.308 175.900 0.024 0.000 0.930 209 Y CA 0.716 58.806 58.100 -0.017 0.000 1.814 209 Y CB -1.337 37.152 38.460 0.047 0.000 1.235 209 Y HN 0.355 nan 8.280 nan 0.000 0.480 210 Q N 1.000 120.900 119.800 0.168 0.000 2.278 210 Q HA 0.487 4.825 4.340 -0.004 0.000 0.257 210 Q C -0.706 175.381 176.000 0.145 0.000 0.928 210 Q CA -0.600 55.325 55.803 0.203 0.000 0.932 210 Q CB 1.053 29.909 28.738 0.197 0.000 1.221 210 Q HN 0.078 nan 8.270 nan 0.000 0.434 211 F N 1.633 121.668 119.950 0.141 0.000 2.371 211 F HA 0.486 5.011 4.527 -0.005 0.000 0.329 211 F C -0.134 175.604 175.800 -0.103 0.000 1.107 211 F CA -0.198 57.887 58.000 0.142 0.000 1.137 211 F CB 0.663 39.720 39.000 0.095 0.000 1.214 211 F HN 0.401 nan 8.300 nan 0.000 0.536 212 F N -0.058 120.013 119.950 0.201 0.000 2.599 212 F HA 0.316 4.840 4.527 -0.005 0.000 0.311 212 F C -0.449 175.405 175.800 0.090 0.000 1.076 212 F CA -1.197 56.862 58.000 0.098 0.000 0.937 212 F CB 1.907 40.943 39.000 0.059 0.000 1.282 212 F HN 0.356 nan 8.300 nan 0.000 0.460 213 E N 2.737 123.064 120.200 0.213 0.000 2.092 213 E HA 0.511 4.858 4.350 -0.004 0.000 0.271 213 E C -1.923 174.757 176.600 0.132 0.000 0.919 213 E CA -0.732 55.755 56.400 0.145 0.000 0.760 213 E CB 1.273 30.959 29.700 -0.023 0.000 1.106 213 E HN 0.578 nan 8.360 nan 0.000 0.408 214 L N 4.914 126.215 121.223 0.131 0.000 2.325 214 L HA 0.418 4.756 4.340 -0.004 0.000 0.281 214 L C -0.983 175.907 176.870 0.033 0.000 1.004 214 L CA -0.504 54.368 54.840 0.053 0.000 0.823 214 L CB 1.514 43.575 42.059 0.004 0.000 1.236 214 L HN 0.462 nan 8.230 nan 0.000 0.415 215 D N 3.743 124.154 120.400 0.019 0.000 2.351 215 D HA 0.168 4.806 4.640 -0.004 0.000 0.251 215 D C 0.784 177.026 176.300 -0.098 0.000 1.137 215 D CA 0.255 54.263 54.000 0.013 0.000 0.879 215 D CB 1.983 42.795 40.800 0.020 0.000 1.181 215 D HN 0.505 nan 8.370 nan 0.000 0.448 216 V N 0.566 120.370 119.914 -0.183 0.000 3.214 216 V HA 0.322 4.439 4.120 -0.004 0.000 0.330 216 V C -0.607 175.090 176.094 -0.662 0.000 1.403 216 V CA -0.188 61.866 62.300 -0.410 0.000 1.143 216 V CB -0.932 30.589 31.823 -0.503 0.000 1.098 216 V HN 0.273 nan 8.190 nan 0.000 0.463 217 Y N -0.756 119.442 120.300 -0.170 0.000 2.553 217 Y HA 0.714 5.262 4.550 -0.004 0.000 0.347 217 Y C 0.661 176.434 175.900 -0.212 0.000 1.019 217 Y CA -1.114 56.880 58.100 -0.177 0.000 1.032 217 Y CB 1.397 39.817 38.460 -0.067 0.000 1.284 217 Y HN 0.068 nan 8.280 nan 0.000 0.466 218 H N -0.496 118.681 119.070 0.178 0.000 2.423 218 H HA 0.250 4.803 4.556 -0.004 0.000 0.309 218 H C 0.639 176.019 175.328 0.087 0.000 1.584 218 H CA 0.207 56.314 56.048 0.098 0.000 1.504 218 H CB 0.845 30.650 29.762 0.071 0.000 1.740 218 H HN 0.649 nan 8.280 nan 0.000 0.744 219 S N -0.156 115.672 115.700 0.213 0.000 2.406 219 S HA -0.140 4.327 4.470 -0.004 0.000 0.228 219 S C 0.904 175.557 174.600 0.088 0.000 1.020 219 S CA 1.439 59.706 58.200 0.111 0.000 0.965 219 S CB -0.312 62.933 63.200 0.075 0.000 0.798 219 S HN 0.645 nan 8.310 nan 0.000 0.488 220 D N -0.057 120.408 120.400 0.107 0.000 2.434 220 D HA 0.380 5.018 4.640 -0.004 0.000 0.232 220 D C 1.181 177.525 176.300 0.074 0.000 1.166 220 D CA 0.503 54.546 54.000 0.072 0.000 0.830 220 D CB -0.435 40.399 40.800 0.057 0.000 0.960 220 D HN 0.268 nan 8.370 nan 0.000 0.497 221 G N 0.468 109.314 108.800 0.076 0.000 2.396 221 G HA2 -0.364 3.593 3.960 -0.004 0.000 0.242 221 G HA3 -0.364 3.593 3.960 -0.004 0.000 0.242 221 G C 0.733 175.718 174.900 0.142 0.000 1.069 221 G CA 0.533 45.650 45.100 0.027 0.000 0.633 221 G HN 0.889 nan 8.290 nan 0.000 0.517 222 T N 2.070 116.737 114.554 0.189 0.000 2.933 222 T HA 0.465 4.812 4.350 -0.004 0.000 0.306 222 T C -1.691 173.194 174.700 0.308 0.000 1.045 222 T CA -0.014 62.230 62.100 0.239 0.000 1.143 222 T CB 1.758 70.763 68.868 0.228 0.000 1.003 222 T HN 0.508 nan 8.240 nan 0.000 0.540 223 P HA 0.351 nan 4.420 nan 0.000 0.284 223 P C -0.223 177.016 177.300 -0.103 0.000 1.258 223 P CA -0.886 62.205 63.100 -0.014 0.000 0.824 223 P CB 0.759 32.411 31.700 -0.080 0.000 1.038 224 L N 1.636 122.671 121.223 -0.313 0.000 2.483 224 L HA 0.150 4.488 4.340 -0.004 0.000 0.277 224 L C 1.669 178.514 176.870 -0.041 0.000 1.248 224 L CA 1.091 55.808 54.840 -0.204 0.000 0.825 224 L CB -0.675 41.234 42.059 -0.249 0.000 1.096 224 L HN 0.530 nan 8.230 nan 0.000 0.512 225 T N -2.764 111.815 114.554 0.041 0.000 2.912 225 T HA 0.299 4.646 4.350 -0.004 0.000 0.280 225 T C 1.178 175.901 174.700 0.039 0.000 0.989 225 T CA -0.278 61.854 62.100 0.053 0.000 0.995 225 T CB 0.951 69.865 68.868 0.076 0.000 1.077 225 T HN 0.467 nan 8.240 nan 0.000 0.531 226 S N 0.327 116.056 115.700 0.048 0.000 2.387 226 S HA -0.158 4.310 4.470 -0.004 0.000 0.230 226 S C 1.475 176.116 174.600 0.067 0.000 1.035 226 S CA 1.728 59.954 58.200 0.043 0.000 1.014 226 S CB -0.587 62.633 63.200 0.033 0.000 0.836 226 S HN 0.873 nan 8.310 nan 0.000 0.466 227 D N 0.703 121.143 120.400 0.067 0.000 2.162 227 D HA -0.008 4.629 4.640 -0.004 0.000 0.203 227 D C 2.244 178.624 176.300 0.134 0.000 0.967 227 D CA 0.738 54.798 54.000 0.101 0.000 0.840 227 D CB 0.001 40.838 40.800 0.063 0.000 0.972 227 D HN 0.386 nan 8.370 nan 0.000 0.482 228 Q N -0.356 119.498 119.800 0.089 0.000 2.230 228 Q HA -0.035 4.303 4.340 -0.004 0.000 0.202 228 Q C 2.000 178.017 176.000 0.030 0.000 0.963 228 Q CA 0.615 56.461 55.803 0.071 0.000 0.866 228 Q CB 0.237 29.027 28.738 0.087 0.000 0.931 228 Q HN 0.408 nan 8.270 nan 0.000 0.452 229 I N -0.272 120.313 120.570 0.025 0.000 2.193 229 I HA -0.230 3.937 4.170 -0.004 0.000 0.240 229 I C 2.066 178.182 176.117 -0.002 0.000 1.084 229 I CA 0.819 62.111 61.300 -0.013 0.000 1.365 229 I CB -0.251 37.737 38.000 -0.020 0.000 1.064 229 I HN 0.158 nan 8.210 nan 0.000 0.410 230 F N 1.539 121.453 119.950 -0.061 0.000 2.154 230 F HA -0.249 4.276 4.527 -0.005 0.000 0.301 230 F C 2.251 178.016 175.800 -0.058 0.000 1.087 230 F CA 1.649 59.608 58.000 -0.069 0.000 1.274 230 F CB -0.478 38.484 39.000 -0.064 0.000 1.009 230 F HN -0.201 nan 8.300 nan 0.000 0.485 231 V N 0.547 120.362 119.914 -0.165 0.000 2.295 231 V HA -0.289 3.829 4.120 -0.004 0.000 0.246 231 V C 2.513 178.462 176.094 -0.242 0.000 1.049 231 V CA 2.025 64.189 62.300 -0.227 0.000 1.024 231 V CB -0.767 31.043 31.823 -0.021 0.000 0.648 231 V HN 0.352 nan 8.190 nan 0.000 0.447 232 Q N -0.242 119.461 119.800 -0.161 0.000 2.050 232 Q HA -0.126 4.211 4.340 -0.004 0.000 0.202 232 Q C 2.324 178.202 176.000 -0.202 0.000 0.980 232 Q CA 1.578 57.296 55.803 -0.141 0.000 0.840 232 Q CB -0.567 28.113 28.738 -0.096 0.000 0.898 232 Q HN 0.541 nan 8.270 nan 0.000 0.424 233 L N 0.641 121.723 121.223 -0.235 0.000 2.127 233 L HA -0.211 4.126 4.340 -0.004 0.000 0.211 233 L C 2.434 179.130 176.870 -0.289 0.000 1.089 233 L CA 1.180 55.868 54.840 -0.252 0.000 0.757 233 L CB -0.369 41.558 42.059 -0.220 0.000 0.899 233 L HN 0.328 nan 8.230 nan 0.000 0.434 234 E N 0.364 120.327 120.200 -0.394 0.000 2.072 234 E HA -0.214 4.133 4.350 -0.004 0.000 0.191 234 E C 2.157 178.701 176.600 -0.095 0.000 0.985 234 E CA 1.010 57.243 56.400 -0.277 0.000 0.801 234 E CB 0.195 29.614 29.700 -0.467 0.000 0.750 234 E HN 0.390 nan 8.360 nan 0.000 0.452 235 K N 0.210 120.514 120.400 -0.160 0.000 2.057 235 K HA -0.131 4.186 4.320 -0.004 0.000 0.207 235 K C 2.175 178.644 176.600 -0.218 0.000 1.049 235 K CA 1.207 57.413 56.287 -0.135 0.000 0.931 235 K CB -0.103 32.331 32.500 -0.110 0.000 0.714 235 K HN 0.206 nan 8.250 nan 0.000 0.440 236 I N -0.199 120.162 120.570 -0.348 0.000 2.142 236 I HA -0.283 3.885 4.170 -0.004 0.000 0.240 236 I C 2.371 178.190 176.117 -0.496 0.000 1.078 236 I CA 1.245 62.105 61.300 -0.734 0.000 1.343 236 I CB -0.344 37.174 38.000 -0.802 0.000 1.046 236 I HN 0.350 nan 8.210 nan 0.000 0.405 237 W N 2.464 123.483 121.300 -0.469 0.000 2.304 237 W HA -0.292 4.365 4.660 -0.005 0.000 0.315 237 W C 2.383 178.790 176.519 -0.187 0.000 1.233 237 W CA 1.841 58.921 57.345 -0.442 0.000 1.261 237 W CB -0.645 28.539 29.460 -0.460 0.000 1.150 237 W HN 0.084 nan 8.180 nan 0.000 0.494 238 N N -0.105 118.314 118.700 -0.468 0.000 2.120 238 N HA -0.132 4.605 4.740 -0.004 0.000 0.188 238 N C 1.466 176.780 175.510 -0.327 0.000 1.024 238 N CA 1.780 54.482 53.050 -0.580 0.000 0.852 238 N CB -0.753 37.554 38.487 -0.299 0.000 1.003 238 N HN 0.046 nan 8.380 nan 0.000 0.424 239 S N 0.175 115.766 115.700 -0.181 0.000 2.881 239 S HA 0.027 4.494 4.470 -0.004 0.000 0.228 239 S C 0.497 175.199 174.600 0.169 0.000 0.965 239 S CA 0.110 58.325 58.200 0.024 0.000 0.998 239 S CB -0.233 63.075 63.200 0.181 0.000 0.795 239 S HN 0.415 nan 8.310 nan 0.000 0.518 240 S N -0.797 114.913 115.700 0.018 0.000 2.539 240 S HA 0.233 4.700 4.470 -0.004 0.000 0.176 240 S C 0.485 175.060 174.600 -0.042 0.000 0.829 240 S CA -0.529 57.727 58.200 0.094 0.000 0.990 240 S CB -1.093 62.289 63.200 0.304 0.000 1.717 240 S HN 0.249 nan 8.310 nan 0.000 0.519 241 L N 0.274 121.393 121.223 -0.173 0.000 2.079 241 L HA -0.065 4.272 4.340 -0.004 0.000 0.210 241 L C 1.034 177.838 176.870 -0.109 0.000 1.081 241 L CA 1.446 56.143 54.840 -0.238 0.000 0.752 241 L CB -0.252 41.660 42.059 -0.245 0.000 0.896 241 L HN 0.457 nan 8.230 nan 0.000 0.433 242 Q N -1.709 118.038 119.800 -0.088 0.000 2.297 242 Q HA 0.227 4.564 4.340 -0.004 0.000 0.268 242 Q C 0.089 176.016 176.000 -0.121 0.000 1.045 242 Q CA -0.196 55.557 55.803 -0.082 0.000 0.861 242 Q CB 1.736 30.443 28.738 -0.051 0.000 1.344 242 Q HN -0.205 nan 8.270 nan 0.000 0.452 243 S N 1.533 117.140 115.700 -0.155 0.000 2.849 243 S HA 0.050 4.517 4.470 -0.004 0.000 0.244 243 S C -0.226 174.326 174.600 -0.081 0.000 1.297 243 S CA -0.373 57.680 58.200 -0.244 0.000 1.241 243 S CB -0.735 62.244 63.200 -0.367 0.000 0.958 243 S HN 0.574 nan 8.310 nan 0.000 0.489 244 N N 1.869 120.551 118.700 -0.029 0.000 2.994 244 N HA 0.195 4.933 4.740 -0.004 0.000 0.306 244 N C -0.507 175.039 175.510 0.061 0.000 1.348 244 N CA -0.342 52.720 53.050 0.020 0.000 1.109 244 N CB 0.119 38.610 38.487 0.006 0.000 1.415 244 N HN 0.159 nan 8.380 nan 0.000 0.529 245 K N -0.039 120.428 120.400 0.113 0.000 2.555 245 K HA 0.274 4.591 4.320 -0.004 0.000 0.279 245 K C -0.633 176.088 176.600 0.201 0.000 0.986 245 K CA -0.560 55.816 56.287 0.149 0.000 0.880 245 K CB 1.922 34.522 32.500 0.166 0.000 1.474 245 K HN 0.103 nan 8.250 nan 0.000 0.433 246 E N 2.647 122.948 120.200 0.167 0.000 2.354 246 E HA 0.162 4.510 4.350 -0.004 0.000 0.269 246 E C -2.049 174.624 176.600 0.121 0.000 1.036 246 E CA -1.653 54.823 56.400 0.127 0.000 0.876 246 E CB 0.537 30.288 29.700 0.085 0.000 1.009 246 E HN 0.154 nan 8.360 nan 0.000 0.416 247 P HA 0.061 nan 4.420 nan 0.000 0.231 247 P C 0.941 178.204 177.300 -0.062 0.000 1.811 247 P CA -0.007 63.005 63.100 -0.146 0.000 1.051 247 P CB 0.141 31.515 31.700 -0.544 0.000 1.951 248 V N 2.683 122.601 119.914 0.007 0.000 2.250 248 V HA -0.263 3.854 4.120 -0.004 0.000 0.250 248 V C 2.832 178.883 176.094 -0.073 0.000 1.060 248 V CA 2.797 65.026 62.300 -0.119 0.000 1.030 248 V CB -1.639 29.873 31.823 -0.517 0.000 0.643 248 V HN 0.431 nan 8.190 nan 0.000 0.445 249 G N -0.754 108.161 108.800 0.193 0.000 2.517 249 G HA2 -0.315 3.643 3.960 -0.004 0.000 0.222 249 G HA3 -0.315 3.643 3.960 -0.004 0.000 0.222 249 G C 1.598 176.375 174.900 -0.205 0.000 1.109 249 G CA 1.062 46.256 45.100 0.155 0.000 0.746 249 G HN 0.554 nan 8.290 nan 0.000 0.576 250 I N 0.207 120.691 120.570 -0.144 0.000 2.850 250 I HA -0.035 4.132 4.170 -0.004 0.000 0.266 250 I C 2.342 178.275 176.117 -0.308 0.000 1.257 250 I CA 0.349 61.555 61.300 -0.156 0.000 1.465 250 I CB 0.059 37.976 38.000 -0.139 0.000 1.091 250 I HN 0.160 nan 8.210 nan 0.000 0.467 251 L N 0.285 121.237 121.223 -0.453 0.000 2.131 251 L HA -0.184 4.154 4.340 -0.004 0.000 0.210 251 L C 2.419 178.570 176.870 -1.198 0.000 1.092 251 L CA 1.756 56.235 54.840 -0.602 0.000 0.759 251 L CB -0.909 40.868 42.059 -0.470 0.000 0.903 251 L HN 0.427 nan 8.230 nan 0.000 0.435 252 T N -4.091 109.576 114.554 -1.477 0.000 3.155 252 T HA -0.066 4.282 4.350 -0.004 0.000 0.264 252 T C 1.433 175.656 174.700 -0.794 0.000 1.160 252 T CA 0.840 61.956 62.100 -1.640 0.000 1.075 252 T CB -0.296 67.772 68.868 -1.333 0.000 0.921 252 T HN 0.409 nan 8.240 nan 0.000 0.533 253 S N -0.836 114.532 115.700 -0.553 0.000 2.578 253 S HA 0.277 4.744 4.470 -0.004 0.000 0.231 253 S C 0.495 174.903 174.600 -0.321 0.000 0.994 253 S CA -0.825 57.100 58.200 -0.458 0.000 0.956 253 S CB -0.146 62.759 63.200 -0.492 0.000 0.870 253 S HN 0.365 nan 8.310 nan 0.000 0.494 254 N N 1.954 120.496 118.700 -0.263 0.000 2.405 254 N HA 0.198 4.936 4.740 -0.004 0.000 0.269 254 N C -0.445 175.062 175.510 -0.006 0.000 1.249 254 N CA -0.347 52.650 53.050 -0.089 0.000 0.974 254 N CB 0.496 38.971 38.487 -0.019 0.000 1.204 254 N HN 0.452 nan 8.380 nan 0.000 0.565 255 H N 1.045 120.094 119.070 -0.034 0.000 3.064 255 H HA 0.003 4.556 4.556 -0.005 0.000 0.329 255 H C 1.212 176.557 175.328 0.027 0.000 1.020 255 H CA 0.272 56.297 56.048 -0.039 0.000 1.402 255 H CB 0.695 30.427 29.762 -0.050 0.000 1.379 255 H HN 0.324 nan 8.280 nan 0.000 0.594 256 R N 3.356 123.703 120.500 -0.254 0.000 2.139 256 R HA -0.166 4.171 4.340 -0.004 0.000 0.243 256 R C 1.308 177.672 176.300 0.107 0.000 1.145 256 R CA 1.145 57.226 56.100 -0.032 0.000 0.976 256 R CB -0.491 29.715 30.300 -0.156 0.000 0.866 256 R HN 0.707 nan 8.270 nan 0.000 0.449 257 N N -0.238 118.625 118.700 0.272 0.000 2.216 257 N HA -0.061 4.676 4.740 -0.004 0.000 0.183 257 N C 1.555 177.162 175.510 0.162 0.000 1.017 257 N CA 1.515 54.692 53.050 0.212 0.000 0.861 257 N CB -0.271 38.353 38.487 0.228 0.000 0.986 257 N HN 0.196 nan 8.380 nan 0.000 0.428 258 T N 0.457 115.140 114.554 0.215 0.000 2.737 258 T HA -0.136 4.212 4.350 -0.004 0.000 0.265 258 T C 1.538 176.376 174.700 0.230 0.000 1.038 258 T CA 0.709 62.904 62.100 0.160 0.000 1.144 258 T CB -0.370 68.584 68.868 0.144 0.000 0.866 258 T HN 0.477 nan 8.240 nan 0.000 0.434 259 W N 1.919 123.238 121.300 0.031 0.000 2.363 259 W HA -0.129 4.528 4.660 -0.004 0.000 0.296 259 W C 2.469 179.032 176.519 0.073 0.000 1.212 259 W CA 0.698 58.051 57.345 0.014 0.000 1.260 259 W CB -0.186 29.244 29.460 -0.050 0.000 1.131 259 W HN 0.298 nan 8.180 nan 0.000 0.530 260 A N 1.055 123.800 122.820 -0.125 0.000 1.908 260 A HA -0.235 4.082 4.320 -0.004 0.000 0.218 260 A C 1.921 179.440 177.584 -0.109 0.000 1.181 260 A CA 2.061 53.963 52.037 -0.226 0.000 0.627 260 A CB -0.738 18.205 19.000 -0.095 0.000 0.818 260 A HN 0.360 nan 8.150 nan 0.000 0.445 261 K N -0.529 119.855 120.400 -0.026 0.000 2.001 261 K HA 0.022 4.339 4.320 -0.004 0.000 0.208 261 K C 2.347 178.942 176.600 -0.007 0.000 1.048 261 K CA 1.064 57.346 56.287 -0.009 0.000 0.932 261 K CB -0.320 32.191 32.500 0.019 0.000 0.715 261 K HN 0.408 nan 8.250 nan 0.000 0.437 262 A N 0.670 123.528 122.820 0.063 0.000 1.972 262 A HA -0.207 4.110 4.320 -0.004 0.000 0.219 262 A C 2.054 179.672 177.584 0.056 0.000 1.169 262 A CA 1.328 53.441 52.037 0.127 0.000 0.635 262 A CB -0.704 18.476 19.000 0.300 0.000 0.810 262 A HN 0.455 nan 8.150 nan 0.000 0.446 263 Y N 1.108 121.179 120.300 -0.382 0.000 2.145 263 Y HA -0.200 4.347 4.550 -0.004 0.000 0.286 263 Y C 2.273 178.015 175.900 -0.263 0.000 1.145 263 Y CA 1.909 59.603 58.100 -0.677 0.000 1.148 263 Y CB -0.480 37.124 38.460 -1.428 0.000 0.981 263 Y HN 0.405 nan 8.280 nan 0.000 0.507 264 N N 0.459 118.942 118.700 -0.361 0.000 2.120 264 N HA -0.257 4.480 4.740 -0.004 0.000 0.188 264 N C 1.630 176.997 175.510 -0.237 0.000 1.024 264 N CA 1.582 54.430 53.050 -0.337 0.000 0.852 264 N CB -0.460 37.943 38.487 -0.140 0.000 1.003 264 N HN 0.517 nan 8.380 nan 0.000 0.424 265 N N 0.541 119.161 118.700 -0.134 0.000 2.309 265 N HA -0.124 4.614 4.740 -0.004 0.000 0.182 265 N C 1.745 177.220 175.510 -0.059 0.000 1.018 265 N CA 0.445 53.453 53.050 -0.069 0.000 0.876 265 N CB -0.176 38.299 38.487 -0.020 0.000 0.972 265 N HN 0.173 nan 8.380 nan 0.000 0.434 266 L N 0.952 122.131 121.223 -0.073 0.000 2.072 266 L HA 0.100 4.438 4.340 -0.004 0.000 0.205 266 L C 1.402 178.254 176.870 -0.029 0.000 1.079 266 L CA 1.317 56.156 54.840 -0.002 0.000 0.752 266 L CB -0.529 41.586 42.059 0.094 0.000 0.906 266 L HN 0.422 nan 8.230 nan 0.000 0.436 267 I N -4.127 116.338 120.570 -0.175 0.000 3.752 267 I HA 0.084 4.251 4.170 -0.004 0.000 0.313 267 I C 1.342 177.399 176.117 -0.100 0.000 1.304 267 I CA 0.138 61.354 61.300 -0.139 0.000 1.171 267 I CB -0.589 37.252 38.000 -0.265 0.000 1.038 267 I HN 0.101 nan 8.210 nan 0.000 0.427 268 K N 0.956 121.313 120.400 -0.072 0.000 2.365 268 K HA 0.022 4.339 4.320 -0.004 0.000 0.197 268 K C 0.234 176.820 176.600 -0.024 0.000 1.042 268 K CA 0.330 56.588 56.287 -0.048 0.000 0.987 268 K CB 0.009 32.486 32.500 -0.039 0.000 0.779 268 K HN 0.454 nan 8.250 nan 0.000 0.484 269 D N 0.684 121.079 120.400 -0.007 0.000 2.225 269 D HA 0.022 4.659 4.640 -0.004 0.000 0.249 269 D C 0.853 177.151 176.300 -0.004 0.000 1.052 269 D CA -0.149 53.855 54.000 0.006 0.000 0.909 269 D CB 1.432 42.253 40.800 0.034 0.000 1.186 269 D HN -0.177 nan 8.370 nan 0.000 0.431 270 K N 2.027 122.420 120.400 -0.012 0.000 2.031 270 K HA -0.082 4.235 4.320 -0.004 0.000 0.205 270 K C 1.494 178.071 176.600 -0.039 0.000 1.049 270 K CA 0.903 57.175 56.287 -0.025 0.000 0.939 270 K CB -0.034 32.450 32.500 -0.027 0.000 0.717 270 K HN 0.364 nan 8.250 nan 0.000 0.438 271 V N 2.235 122.124 119.914 -0.042 0.000 2.295 271 V HA -0.255 3.862 4.120 -0.004 0.000 0.246 271 V C 1.900 177.934 176.094 -0.100 0.000 1.049 271 V CA 1.983 64.234 62.300 -0.081 0.000 1.024 271 V CB -0.747 31.028 31.823 -0.081 0.000 0.648 271 V HN 0.410 nan 8.190 nan 0.000 0.447 272 N N 0.366 119.062 118.700 -0.007 0.000 2.036 272 N HA -0.226 4.512 4.740 -0.004 0.000 0.195 272 N C 1.927 177.480 175.510 0.072 0.000 1.037 272 N CA 1.907 55.027 53.050 0.117 0.000 0.855 272 N CB -0.547 38.091 38.487 0.251 0.000 1.033 272 N HN 0.423 nan 8.380 nan 0.000 0.423 273 R N 1.060 121.577 120.500 0.029 0.000 2.096 273 R HA -0.124 4.214 4.340 -0.004 0.000 0.240 273 R C 1.870 178.154 176.300 -0.027 0.000 1.139 273 R CA 1.649 57.754 56.100 0.007 0.000 0.952 273 R CB -0.115 30.174 30.300 -0.018 0.000 0.854 273 R HN 0.357 nan 8.270 nan 0.000 0.436 274 E N -0.577 119.580 120.200 -0.073 0.000 2.077 274 E HA -0.134 4.214 4.350 -0.004 0.000 0.193 274 E C 2.029 178.527 176.600 -0.170 0.000 0.989 274 E CA 1.479 57.812 56.400 -0.112 0.000 0.800 274 E CB 0.096 29.724 29.700 -0.119 0.000 0.746 274 E HN 0.291 nan 8.360 nan 0.000 0.452 275 S N -0.013 115.534 115.700 -0.255 0.000 2.348 275 S HA -0.136 4.331 4.470 -0.004 0.000 0.221 275 S C 2.124 176.546 174.600 -0.297 0.000 1.033 275 S CA 0.878 58.835 58.200 -0.405 0.000 1.010 275 S CB -0.159 62.503 63.200 -0.897 0.000 0.891 275 S HN 0.071 nan 8.310 nan 0.000 0.442 276 V N 3.359 123.195 119.914 -0.130 0.000 2.282 276 V HA -0.242 3.876 4.120 -0.004 0.000 0.249 276 V C 2.420 178.471 176.094 -0.072 0.000 1.057 276 V CA 1.940 64.199 62.300 -0.069 0.000 1.032 276 V CB -0.809 31.145 31.823 0.218 0.000 0.645 276 V HN 0.592 nan 8.190 nan 0.000 0.447 277 N N -0.263 118.421 118.700 -0.027 0.000 2.137 277 N HA -0.218 4.519 4.740 -0.004 0.000 0.190 277 N C 2.105 177.571 175.510 -0.073 0.000 1.017 277 N CA 1.896 54.932 53.050 -0.024 0.000 0.859 277 N CB -0.040 38.422 38.487 -0.040 0.000 1.002 277 N HN 0.479 nan 8.380 nan 0.000 0.428 278 S N 0.333 115.963 115.700 -0.116 0.000 2.383 278 S HA 0.009 4.476 4.470 -0.004 0.000 0.227 278 S C 2.112 176.735 174.600 0.039 0.000 1.026 278 S CA 0.509 58.657 58.200 -0.086 0.000 0.981 278 S CB -0.144 62.955 63.200 -0.168 0.000 0.818 278 S HN 0.349 nan 8.310 nan 0.000 0.472 279 I N 1.326 121.821 120.570 -0.124 0.000 2.252 279 I HA -0.176 3.991 4.170 -0.004 0.000 0.245 279 I C 2.752 178.841 176.117 -0.047 0.000 1.102 279 I CA 1.123 62.314 61.300 -0.182 0.000 1.385 279 I CB -0.483 37.120 38.000 -0.661 0.000 1.064 279 I HN 0.385 nan 8.210 nan 0.000 0.414 280 Q N 1.020 120.823 119.800 0.005 0.000 2.135 280 Q HA -0.224 4.114 4.340 -0.004 0.000 0.204 280 Q C 1.951 178.099 176.000 0.247 0.000 0.981 280 Q CA 1.379 57.289 55.803 0.179 0.000 0.856 280 Q CB -0.188 28.699 28.738 0.248 0.000 0.902 280 Q HN 0.547 nan 8.270 nan 0.000 0.425 281 K N 0.939 121.379 120.400 0.066 0.000 2.361 281 K HA 0.037 4.355 4.320 -0.004 0.000 0.196 281 K C 0.783 177.373 176.600 -0.017 0.000 1.039 281 K CA 0.160 56.421 56.287 -0.044 0.000 1.001 281 K CB 0.309 32.601 32.500 -0.346 0.000 0.795 281 K HN 0.095 nan 8.250 nan 0.000 0.495 282 S N 1.017 116.653 115.700 -0.106 0.000 2.563 282 S HA -0.007 4.461 4.470 -0.004 0.000 0.294 282 S C 1.262 175.742 174.600 -0.199 0.000 1.279 282 S CA -0.282 57.650 58.200 -0.446 0.000 1.069 282 S CB 0.181 63.240 63.200 -0.235 0.000 0.828 282 S HN 0.127 nan 8.310 nan 0.000 0.497 283 I N 1.864 122.258 120.570 -0.294 0.000 2.236 283 I HA -0.133 4.035 4.170 -0.004 0.000 0.249 283 I C 0.737 176.951 176.117 0.162 0.000 1.102 283 I CA 1.665 62.927 61.300 -0.065 0.000 1.365 283 I CB -0.542 37.370 38.000 -0.145 0.000 1.051 283 I HN 0.855 nan 8.210 nan 0.000 0.420 284 F N -3.544 116.446 119.950 0.067 0.000 2.944 284 F HA 0.468 4.992 4.527 -0.004 0.000 0.324 284 F C -1.008 174.890 175.800 0.163 0.000 1.151 284 F CA -1.357 56.735 58.000 0.153 0.000 0.883 284 F CB 0.554 39.714 39.000 0.267 0.000 1.341 284 F HN -0.528 nan 8.300 nan 0.000 0.456 285 T N 1.641 116.524 114.554 0.548 0.000 2.856 285 T HA 0.723 5.070 4.350 -0.004 0.000 0.283 285 T C -1.234 173.775 174.700 0.515 0.000 1.008 285 T CA -0.664 61.688 62.100 0.418 0.000 0.997 285 T CB 1.933 71.010 68.868 0.350 0.000 0.992 285 T HN 0.619 nan 8.240 nan 0.000 0.454 286 V N 2.212 122.359 119.914 0.388 0.000 2.487 286 V HA 0.388 4.505 4.120 -0.004 0.000 0.298 286 V C -0.377 175.854 176.094 0.227 0.000 1.028 286 V CA -0.886 61.622 62.300 0.346 0.000 0.860 286 V CB 1.456 33.456 31.823 0.296 0.000 0.991 286 V HN 1.077 nan 8.190 nan 0.000 0.427 287 C N 6.081 125.507 119.300 0.209 0.000 2.264 287 C HA 0.582 5.039 4.460 -0.004 0.000 0.324 287 C C 0.274 175.368 174.990 0.174 0.000 1.267 287 C CA -0.948 58.165 59.018 0.158 0.000 1.618 287 C CB -0.141 27.678 27.740 0.131 0.000 2.278 287 C HN 0.736 nan 8.230 nan 0.000 0.499 288 L N 3.756 125.085 121.223 0.177 0.000 2.352 288 L HA 0.253 4.590 4.340 -0.004 0.000 0.272 288 L C -0.115 176.903 176.870 0.246 0.000 1.109 288 L CA 0.074 55.032 54.840 0.197 0.000 0.952 288 L CB -0.364 41.801 42.059 0.177 0.000 1.314 288 L HN 0.626 nan 8.230 nan 0.000 0.427 289 D N 2.656 123.180 120.400 0.208 0.000 2.368 289 D HA 0.103 4.741 4.640 -0.004 0.000 0.240 289 D C 0.361 176.780 176.300 0.198 0.000 1.169 289 D CA 0.048 54.166 54.000 0.197 0.000 0.906 289 D CB 0.909 41.823 40.800 0.191 0.000 1.187 289 D HN 0.403 nan 8.370 nan 0.000 0.435 290 K N 0.180 120.678 120.400 0.164 0.000 2.090 290 K HA 0.267 4.584 4.320 -0.004 0.000 0.249 290 K C 0.111 176.810 176.600 0.164 0.000 0.995 290 K CA -0.891 55.483 56.287 0.145 0.000 0.914 290 K CB 1.028 33.563 32.500 0.059 0.000 1.057 290 K HN 0.296 nan 8.250 nan 0.000 0.462 291 Q N 1.299 121.190 119.800 0.150 0.000 2.330 291 Q HA 0.112 4.450 4.340 -0.004 0.000 0.279 291 Q C -0.511 175.594 176.000 0.175 0.000 1.024 291 Q CA -0.537 55.355 55.803 0.148 0.000 0.900 291 Q CB 0.786 29.597 28.738 0.122 0.000 1.221 291 Q HN 0.544 nan 8.270 nan 0.000 0.396 292 V N 1.332 121.357 119.914 0.185 0.000 2.960 292 V HA 0.701 4.818 4.120 -0.004 0.000 0.315 292 V C -2.426 173.774 176.094 0.177 0.000 1.087 292 V CA -2.100 60.351 62.300 0.251 0.000 0.982 292 V CB 0.862 32.814 31.823 0.216 0.000 1.039 292 V HN 0.801 nan 8.190 nan 0.000 0.437 293 P HA 0.225 nan 4.420 nan 0.000 0.271 293 P C -0.640 176.689 177.300 0.049 0.000 1.233 293 P CA -0.241 62.935 63.100 0.127 0.000 0.795 293 P CB 0.302 32.103 31.700 0.168 0.000 0.936 294 R N 0.489 121.000 120.500 0.018 0.000 2.457 294 R HA 0.531 4.868 4.340 -0.004 0.000 0.284 294 R C -0.774 175.491 176.300 -0.060 0.000 1.024 294 R CA -0.755 55.333 56.100 -0.021 0.000 1.025 294 R CB 0.629 30.913 30.300 -0.027 0.000 1.063 294 R HN 0.375 nan 8.270 nan 0.000 0.493 295 V N 0.097 119.958 119.914 -0.088 0.000 3.040 295 V HA 0.542 4.660 4.120 -0.004 0.000 0.312 295 V C -0.329 175.725 176.094 -0.067 0.000 1.115 295 V CA -1.012 61.208 62.300 -0.133 0.000 0.998 295 V CB 1.872 33.477 31.823 -0.363 0.000 1.042 295 V HN 0.953 nan 8.190 nan 0.000 0.433 296 S N 1.260 116.934 115.700 -0.044 0.000 2.558 296 S HA 0.054 4.521 4.470 -0.004 0.000 0.288 296 S C 0.664 175.273 174.600 0.016 0.000 1.318 296 S CA 0.254 58.446 58.200 -0.014 0.000 1.056 296 S CB 0.267 63.469 63.200 0.003 0.000 0.853 296 S HN 0.854 nan 8.310 nan 0.000 0.505 297 D N 2.395 122.795 120.400 -0.000 0.000 2.133 297 D HA -0.197 4.440 4.640 -0.004 0.000 0.192 297 D C 1.441 177.795 176.300 0.090 0.000 1.001 297 D CA 1.937 55.952 54.000 0.025 0.000 0.844 297 D CB -0.523 40.265 40.800 -0.021 0.000 0.944 297 D HN 0.913 nan 8.370 nan 0.000 0.447 298 D N 0.654 121.092 120.400 0.063 0.000 2.403 298 D HA -0.122 4.516 4.640 -0.004 0.000 0.227 298 D C 1.575 177.930 176.300 0.092 0.000 0.995 298 D CA 0.529 54.572 54.000 0.071 0.000 0.928 298 D CB -0.279 40.551 40.800 0.050 0.000 0.887 298 D HN 0.342 nan 8.370 nan 0.000 0.529 299 V N -4.445 115.543 119.914 0.124 0.000 3.337 299 V HA 0.279 4.397 4.120 -0.004 0.000 0.307 299 V C 1.520 177.759 176.094 0.242 0.000 1.505 299 V CA -0.724 61.677 62.300 0.169 0.000 1.072 299 V CB -0.943 31.007 31.823 0.213 0.000 0.929 299 V HN -0.011 nan 8.190 nan 0.000 0.455 300 Y N 2.409 122.740 120.300 0.052 0.000 2.145 300 Y HA -0.052 4.495 4.550 -0.005 0.000 0.286 300 Y C 2.686 178.609 175.900 0.039 0.000 1.145 300 Y CA 2.525 60.637 58.100 0.021 0.000 1.148 300 Y CB -0.096 38.352 38.460 -0.020 0.000 0.981 300 Y HN 0.275 nan 8.280 nan 0.000 0.507 301 R N 0.164 120.578 120.500 -0.144 0.000 2.081 301 R HA -0.186 4.152 4.340 -0.004 0.000 0.235 301 R C 1.988 178.151 176.300 -0.229 0.000 1.131 301 R CA 1.665 57.622 56.100 -0.238 0.000 0.960 301 R CB -0.293 29.971 30.300 -0.059 0.000 0.856 301 R HN 0.362 nan 8.270 nan 0.000 0.436 302 N N 0.182 118.803 118.700 -0.132 0.000 2.061 302 N HA -0.193 4.545 4.740 -0.004 0.000 0.193 302 N C 1.588 176.920 175.510 -0.295 0.000 1.030 302 N CA 1.721 54.652 53.050 -0.198 0.000 0.856 302 N CB -0.597 37.809 38.487 -0.134 0.000 1.023 302 N HN 0.422 nan 8.380 nan 0.000 0.424 303 H N -0.167 118.758 119.070 -0.241 0.000 2.357 303 H HA 0.047 4.600 4.556 -0.005 0.000 0.301 303 H C 2.101 177.242 175.328 -0.312 0.000 1.082 303 H CA 1.069 56.968 56.048 -0.249 0.000 1.342 303 H CB -0.268 29.378 29.762 -0.195 0.000 1.389 303 H HN -0.054 nan 8.280 nan 0.000 0.511 304 V N 0.760 120.507 119.914 -0.279 0.000 2.332 304 V HA -0.312 3.805 4.120 -0.004 0.000 0.248 304 V C 2.598 178.546 176.094 -0.244 0.000 1.055 304 V CA 1.773 63.902 62.300 -0.286 0.000 1.038 304 V CB -1.131 30.447 31.823 -0.408 0.000 0.651 304 V HN 0.591 nan 8.190 nan 0.000 0.450 305 A N 0.675 123.269 122.820 -0.376 0.000 1.883 305 A HA -0.118 4.199 4.320 -0.004 0.000 0.217 305 A C 2.463 179.685 177.584 -0.605 0.000 1.186 305 A CA 2.048 53.670 52.037 -0.691 0.000 0.624 305 A CB -1.358 16.930 19.000 -1.186 0.000 0.822 305 A HN 0.541 nan 8.150 nan 0.000 0.444 306 G N -0.897 107.575 108.800 -0.546 0.000 2.440 306 G HA2 -0.323 3.634 3.960 -0.004 0.000 0.218 306 G HA3 -0.323 3.634 3.960 -0.004 0.000 0.218 306 G C 1.631 176.114 174.900 -0.695 0.000 1.154 306 G CA 1.189 45.862 45.100 -0.713 0.000 0.767 306 G HN 0.660 nan 8.290 nan 0.000 0.552 307 Q N -0.823 118.788 119.800 -0.315 0.000 2.124 307 Q HA -0.077 4.260 4.340 -0.004 0.000 0.202 307 Q C 2.499 178.481 176.000 -0.031 0.000 0.977 307 Q CA 1.133 56.863 55.803 -0.122 0.000 0.850 307 Q CB -0.117 28.596 28.738 -0.042 0.000 0.901 307 Q HN 0.375 nan 8.270 nan 0.000 0.429 308 M N -0.170 119.429 119.600 -0.000 0.000 2.193 308 M HA -0.069 4.409 4.480 -0.004 0.000 0.265 308 M C 2.101 178.509 176.300 0.179 0.000 1.071 308 M CA 0.687 56.071 55.300 0.139 0.000 1.140 308 M CB -1.002 31.760 32.600 0.270 0.000 1.369 308 M HN 0.288 nan 8.290 nan 0.000 0.423 309 L N 1.059 122.370 121.223 0.147 0.000 1.973 309 L HA -0.171 4.167 4.340 -0.004 0.000 0.208 309 L C 2.620 179.556 176.870 0.111 0.000 1.073 309 L CA 2.088 57.023 54.840 0.157 0.000 0.746 309 L CB -0.971 41.133 42.059 0.075 0.000 0.891 309 L HN 0.526 nan 8.230 nan 0.000 0.433 310 H N -3.575 115.552 119.070 0.095 0.000 2.855 310 H HA 0.398 4.951 4.556 -0.004 0.000 0.259 310 H C 1.425 176.879 175.328 0.211 0.000 0.972 310 H CA 0.724 56.809 56.048 0.061 0.000 1.213 310 H CB 0.603 30.314 29.762 -0.086 0.000 1.451 310 H HN 0.382 nan 8.280 nan 0.000 0.484 311 G N 0.306 109.194 108.800 0.147 0.000 2.218 311 G HA2 -0.188 3.769 3.960 -0.004 0.000 0.216 311 G HA3 -0.188 3.769 3.960 -0.004 0.000 0.216 311 G C 1.262 176.322 174.900 0.267 0.000 0.994 311 G CA 0.604 45.848 45.100 0.240 0.000 0.637 311 G HN 1.223 nan 8.290 nan 0.000 0.505 312 G N -1.037 107.998 108.800 0.392 0.000 2.268 312 G HA2 0.451 4.409 3.960 -0.004 0.000 0.240 312 G HA3 0.451 4.409 3.960 -0.004 0.000 0.240 312 G C 1.438 176.624 174.900 0.477 0.000 1.010 312 G CA 0.898 46.185 45.100 0.313 0.000 0.618 312 G HN 2.926 nan 8.290 nan 0.000 0.516 313 G N -1.552 107.504 108.800 0.425 0.000 2.354 313 G HA2 0.412 4.369 3.960 -0.004 0.000 0.582 313 G HA3 0.412 4.369 3.960 -0.004 0.000 0.582 313 G C 0.619 175.648 174.900 0.216 0.000 1.316 313 G CA 1.045 46.326 45.100 0.302 0.000 0.995 313 G HN 1.644 nan 8.290 nan 0.000 0.573 314 S N -0.320 115.430 115.700 0.083 0.000 2.383 314 S HA -0.153 4.315 4.470 -0.004 0.000 0.229 314 S C 2.239 176.833 174.600 -0.010 0.000 1.030 314 S CA 2.445 60.648 58.200 0.005 0.000 1.002 314 S CB -0.402 62.784 63.200 -0.023 0.000 0.829 314 S HN 0.923 nan 8.310 nan 0.000 0.467 315 K N -1.030 119.287 120.400 -0.138 0.000 2.314 315 K HA 0.104 4.421 4.320 -0.004 0.000 0.198 315 K C 1.028 177.444 176.600 -0.306 0.000 1.045 315 K CA 0.435 56.553 56.287 -0.283 0.000 0.988 315 K CB -0.266 31.912 32.500 -0.536 0.000 0.783 315 K HN 0.406 nan 8.250 nan 0.000 0.484 316 F N 1.955 122.007 119.950 0.170 0.000 2.444 316 F HA 0.169 4.693 4.527 -0.005 0.000 0.227 316 F C 1.707 177.650 175.800 0.240 0.000 1.217 316 F CA -0.376 57.731 58.000 0.177 0.000 0.983 316 F CB -0.183 38.910 39.000 0.155 0.000 1.355 316 F HN -0.131 nan 8.300 nan 0.000 0.636 317 N N -0.560 118.416 118.700 0.459 0.000 2.204 317 N HA 0.095 4.832 4.740 -0.004 0.000 0.219 317 N C 1.110 176.796 175.510 0.294 0.000 1.151 317 N CA 0.199 53.468 53.050 0.366 0.000 0.867 317 N CB 0.645 39.301 38.487 0.282 0.000 1.043 317 N HN 0.155 nan 8.380 nan 0.000 0.516 318 S N 0.300 116.163 115.700 0.272 0.000 2.399 318 S HA -0.084 4.383 4.470 -0.004 0.000 0.231 318 S C 1.951 176.619 174.600 0.114 0.000 1.022 318 S CA 1.206 59.550 58.200 0.240 0.000 0.983 318 S CB -0.170 63.154 63.200 0.206 0.000 0.803 318 S HN 0.508 nan 8.310 nan 0.000 0.480 319 G N 0.763 109.505 108.800 -0.097 0.000 2.744 319 G HA2 -0.070 3.887 3.960 -0.004 0.000 0.211 319 G HA3 -0.070 3.887 3.960 -0.004 0.000 0.211 319 G C 0.746 175.567 174.900 -0.131 0.000 1.143 319 G CA -0.042 44.827 45.100 -0.385 0.000 0.788 319 G HN 0.408 nan 8.290 nan 0.000 0.534 320 N N 0.559 119.338 118.700 0.131 0.000 2.575 320 N HA 0.177 4.914 4.740 -0.004 0.000 0.275 320 N C -0.026 175.520 175.510 0.060 0.000 1.202 320 N CA -0.164 53.000 53.050 0.189 0.000 0.945 320 N CB -0.009 38.640 38.487 0.270 0.000 1.247 320 N HN 0.059 nan 8.380 nan 0.000 0.510 321 R N -0.507 120.028 120.500 0.059 0.000 2.764 321 R HA 0.325 4.663 4.340 -0.004 0.000 0.270 321 R C -1.465 174.946 176.300 0.186 0.000 1.014 321 R CA -0.616 55.429 56.100 -0.091 0.000 0.904 321 R CB 1.181 31.056 30.300 -0.709 0.000 1.236 321 R HN 0.226 nan 8.270 nan 0.000 0.466 322 W N 3.030 124.272 121.300 -0.097 0.000 2.451 322 W HA 0.252 4.910 4.660 -0.004 0.000 0.285 322 W C -0.746 175.709 176.519 -0.106 0.000 1.024 322 W CA -0.667 56.684 57.345 0.009 0.000 1.421 322 W CB 0.337 29.874 29.460 0.128 0.000 1.319 322 W HN 0.635 nan 8.180 nan 0.000 0.366 323 F N 1.317 121.135 119.950 -0.220 0.000 2.494 323 F HA -0.174 4.350 4.527 -0.004 0.000 0.298 323 F C 1.861 177.603 175.800 -0.098 0.000 1.106 323 F CA 1.157 59.069 58.000 -0.147 0.000 1.452 323 F CB -0.058 38.813 39.000 -0.214 0.000 1.085 323 F HN 0.038 nan 8.300 nan 0.000 0.569 324 D N -0.070 120.331 120.400 0.001 0.000 2.323 324 D HA -0.057 4.580 4.640 -0.004 0.000 0.209 324 D C 1.005 177.468 176.300 0.271 0.000 0.973 324 D CA 0.594 54.690 54.000 0.160 0.000 0.874 324 D CB -0.084 40.866 40.800 0.251 0.000 0.930 324 D HN -0.001 nan 8.370 nan 0.000 0.521 325 K N 0.846 121.463 120.400 0.360 0.000 2.416 325 K HA 0.034 4.351 4.320 -0.004 0.000 0.283 325 K C 1.083 177.804 176.600 0.201 0.000 1.037 325 K CA 0.246 56.725 56.287 0.320 0.000 0.995 325 K CB 0.587 33.300 32.500 0.354 0.000 0.938 325 K HN -0.221 nan 8.250 nan 0.000 0.475 326 T N 3.482 118.142 114.554 0.177 0.000 2.684 326 T HA -0.101 4.246 4.350 -0.004 0.000 0.267 326 T C 0.382 175.140 174.700 0.096 0.000 1.036 326 T CA 1.184 63.360 62.100 0.127 0.000 1.148 326 T CB -0.081 68.853 68.868 0.110 0.000 0.863 326 T HN 0.398 nan 8.240 nan 0.000 0.436 327 L N 1.406 122.686 121.223 0.095 0.000 2.349 327 L HA 0.455 4.792 4.340 -0.004 0.000 0.278 327 L C -0.511 176.332 176.870 -0.046 0.000 0.996 327 L CA -0.491 54.318 54.840 -0.052 0.000 0.825 327 L CB 1.914 43.940 42.059 -0.055 0.000 1.243 327 L HN 0.055 nan 8.230 nan 0.000 0.412 328 Q N 3.578 123.260 119.800 -0.196 0.000 2.339 328 Q HA 0.464 4.802 4.340 -0.004 0.000 0.268 328 Q C -1.453 174.411 176.000 -0.227 0.000 1.027 328 Q CA -0.483 55.275 55.803 -0.076 0.000 0.759 328 Q CB 2.267 30.991 28.738 -0.024 0.000 1.244 328 Q HN 0.393 nan 8.270 nan 0.000 0.464 329 F N 3.015 123.023 119.950 0.097 0.000 2.410 329 F HA 0.449 4.973 4.527 -0.004 0.000 0.349 329 F C 0.219 176.088 175.800 0.115 0.000 1.117 329 F CA -0.546 57.496 58.000 0.070 0.000 1.104 329 F CB 0.839 39.843 39.000 0.006 0.000 1.122 329 F HN 0.314 nan 8.300 nan 0.000 0.483 330 I N 4.204 124.935 120.570 0.267 0.000 2.378 330 I HA 0.392 4.559 4.170 -0.004 0.000 0.291 330 I C -0.968 175.316 176.117 0.278 0.000 0.992 330 I CA -0.850 60.587 61.300 0.229 0.000 1.154 330 I CB 1.613 39.715 38.000 0.169 0.000 1.315 330 I HN 0.185 nan 8.210 nan 0.000 0.448 331 V N 6.147 126.229 119.914 0.280 0.000 2.326 331 V HA 0.528 4.645 4.120 -0.004 0.000 0.281 331 V C 0.574 176.846 176.094 0.295 0.000 1.015 331 V CA -0.647 61.858 62.300 0.343 0.000 0.823 331 V CB 1.178 33.216 31.823 0.358 0.000 1.009 331 V HN 0.850 nan 8.190 nan 0.000 0.436 332 A N 3.206 126.204 122.820 0.296 0.000 2.346 332 A HA 0.372 4.690 4.320 -0.004 0.000 0.252 332 A C 1.285 179.079 177.584 0.351 0.000 1.089 332 A CA -0.046 52.146 52.037 0.259 0.000 0.797 332 A CB 0.371 19.479 19.000 0.179 0.000 1.047 332 A HN 0.819 nan 8.150 nan 0.000 0.494 333 E N 0.159 120.521 120.200 0.270 0.000 2.285 333 E HA -0.157 4.190 4.350 -0.004 0.000 0.194 333 E C 0.348 177.132 176.600 0.307 0.000 0.997 333 E CA 1.419 57.990 56.400 0.284 0.000 0.845 333 E CB 0.008 29.825 29.700 0.195 0.000 0.782 333 E HN 0.770 nan 8.360 nan 0.000 0.491 334 D N -1.489 119.020 120.400 0.181 0.000 2.368 334 D HA 0.130 4.767 4.640 -0.004 0.000 0.218 334 D C 1.195 177.379 176.300 -0.193 0.000 1.112 334 D CA 0.678 54.703 54.000 0.041 0.000 0.834 334 D CB 0.304 41.142 40.800 0.064 0.000 0.953 334 D HN 0.238 nan 8.370 nan 0.000 0.505 335 G N -0.336 108.203 108.800 -0.435 0.000 2.284 335 G HA2 -0.253 3.704 3.960 -0.004 0.000 0.216 335 G HA3 -0.253 3.704 3.960 -0.004 0.000 0.216 335 G C 0.550 175.175 174.900 -0.458 0.000 1.009 335 G CA 0.080 44.541 45.100 -1.064 0.000 0.625 335 G HN 0.408 nan 8.290 nan 0.000 0.501 336 S N 0.335 115.959 115.700 -0.127 0.000 2.587 336 S HA 0.535 5.003 4.470 -0.004 0.000 0.260 336 S C 0.605 175.234 174.600 0.049 0.000 1.353 336 S CA 0.700 58.884 58.200 -0.027 0.000 0.995 336 S CB 1.088 64.303 63.200 0.025 0.000 0.912 336 S HN 1.906 nan 8.310 nan 0.000 0.568 337 C N -1.224 118.125 119.300 0.082 0.000 3.292 337 C HA 0.958 5.416 4.460 -0.004 0.000 0.338 337 C C -0.015 175.081 174.990 0.176 0.000 1.323 337 C CA -0.060 59.071 59.018 0.187 0.000 1.232 337 C CB 0.760 28.676 27.740 0.293 0.000 1.517 337 C HN 1.158 nan 8.230 nan 0.000 0.470 338 G N 0.652 109.577 108.800 0.208 0.000 2.364 338 G HA2 0.841 4.799 3.960 -0.004 0.000 0.286 338 G HA3 0.841 4.799 3.960 -0.004 0.000 0.286 338 G C -1.351 173.635 174.900 0.144 0.000 1.241 338 G CA -0.131 45.066 45.100 0.163 0.000 0.887 338 G HN 2.076 nan 8.290 nan 0.000 0.484 339 M N -1.782 117.849 119.600 0.052 0.000 3.008 339 M HA 0.862 5.339 4.480 -0.004 0.000 0.271 339 M C -1.947 174.325 176.300 -0.047 0.000 1.265 339 M CA -1.101 54.168 55.300 -0.052 0.000 0.817 339 M CB 2.094 34.552 32.600 -0.237 0.000 1.638 339 M HN 1.416 nan 8.290 nan 0.000 0.479 340 V N 2.130 122.000 119.914 -0.073 0.000 2.752 340 V HA 0.693 4.810 4.120 -0.004 0.000 0.302 340 V C -2.163 173.924 176.094 -0.011 0.000 1.133 340 V CA -0.246 62.035 62.300 -0.032 0.000 0.919 340 V CB 2.186 34.048 31.823 0.066 0.000 1.026 340 V HN 0.944 nan 8.190 nan 0.000 0.429 341 Y N 3.186 123.417 120.300 -0.115 0.000 2.468 341 Y HA 0.780 5.328 4.550 -0.004 0.000 0.342 341 Y C -0.214 175.631 175.900 -0.091 0.000 1.021 341 Y CA -1.034 56.986 58.100 -0.133 0.000 1.079 341 Y CB 1.502 39.838 38.460 -0.207 0.000 1.226 341 Y HN 0.616 nan 8.280 nan 0.000 0.460 342 E N 2.865 123.122 120.200 0.094 0.000 2.194 342 E HA 0.032 4.380 4.350 -0.004 0.000 0.284 342 E C 0.331 176.933 176.600 0.004 0.000 1.035 342 E CA 0.036 56.456 56.400 0.033 0.000 0.836 342 E CB 0.353 30.099 29.700 0.077 0.000 1.070 342 E HN 0.956 nan 8.360 nan 0.000 0.401 343 H N 3.680 122.647 119.070 -0.172 0.000 2.456 343 H HA -0.136 4.418 4.556 -0.004 0.000 0.296 343 H C 1.544 176.470 175.328 -0.670 0.000 1.079 343 H CA 1.405 57.217 56.048 -0.394 0.000 1.322 343 H CB 0.319 29.681 29.762 -0.667 0.000 1.388 343 H HN 0.644 nan 8.280 nan 0.000 0.538 344 A N 0.735 123.330 122.820 -0.375 0.000 1.869 344 A HA -0.189 4.128 4.320 -0.004 0.000 0.218 344 A C 2.419 179.966 177.584 -0.063 0.000 1.203 344 A CA 2.488 54.396 52.037 -0.215 0.000 0.638 344 A CB -0.765 18.219 19.000 -0.025 0.000 0.831 344 A HN 0.439 nan 8.150 nan 0.000 0.450 345 A N -2.196 120.610 122.820 -0.023 0.000 2.430 345 A HA 0.678 4.996 4.320 -0.004 0.000 0.243 345 A C 0.745 178.326 177.584 -0.006 0.000 1.254 345 A CA 0.769 52.814 52.037 0.013 0.000 0.914 345 A CB -0.330 18.685 19.000 0.024 0.000 0.998 345 A HN 1.238 nan 8.150 nan 0.000 0.515 346 A N -0.067 122.735 122.820 -0.031 0.000 2.355 346 A HA 0.716 5.034 4.320 -0.004 0.000 0.317 346 A C -0.599 176.908 177.584 -0.129 0.000 1.094 346 A CA -0.400 51.565 52.037 -0.119 0.000 0.764 346 A CB 1.223 20.133 19.000 -0.151 0.000 1.230 346 A HN 0.148 nan 8.150 nan 0.000 0.448 347 E N 0.929 121.023 120.200 -0.178 0.000 2.299 347 E HA 0.661 5.009 4.350 -0.004 0.000 0.260 347 E C 1.308 177.769 176.600 -0.232 0.000 0.944 347 E CA 0.195 56.561 56.400 -0.056 0.000 0.815 347 E CB 1.428 31.139 29.700 0.018 0.000 1.252 347 E HN 0.539 nan 8.360 nan 0.000 0.418 348 G N 1.262 110.022 108.800 -0.067 0.000 2.511 348 G HA2 -0.155 3.802 3.960 -0.004 0.000 0.216 348 G HA3 -0.155 3.802 3.960 -0.004 0.000 0.216 348 G C -1.097 173.704 174.900 -0.166 0.000 1.218 348 G CA 1.022 46.062 45.100 -0.101 0.000 0.788 348 G HN 0.518 nan 8.290 nan 0.000 0.560 349 P HA -0.183 nan 4.420 nan 0.000 0.221 349 P C -1.279 175.901 177.300 -0.200 0.000 1.160 349 P CA 2.709 65.730 63.100 -0.130 0.000 0.933 349 P CB -0.867 30.757 31.700 -0.127 0.000 0.793 350 P HA -0.159 nan 4.420 nan 0.000 0.215 350 P C 1.539 178.759 177.300 -0.134 0.000 1.157 350 P CA 1.343 64.195 63.100 -0.413 0.000 0.874 350 P CB -0.624 30.792 31.700 -0.474 0.000 0.790 351 I N -0.970 119.441 120.570 -0.266 0.000 2.163 351 I HA -0.180 3.987 4.170 -0.004 0.000 0.243 351 I C 2.353 178.377 176.117 -0.155 0.000 1.085 351 I CA 1.577 62.712 61.300 -0.276 0.000 1.347 351 I CB -1.700 35.980 38.000 -0.532 0.000 1.044 351 I HN -0.136 nan 8.210 nan 0.000 0.408 352 V N 1.387 121.230 119.914 -0.119 0.000 2.287 352 V HA -0.293 3.825 4.120 -0.004 0.000 0.248 352 V C 2.849 178.921 176.094 -0.037 0.000 1.053 352 V CA 1.971 64.236 62.300 -0.059 0.000 1.027 352 V CB -1.154 30.649 31.823 -0.033 0.000 0.646 352 V HN 0.486 nan 8.190 nan 0.000 0.447 353 A N -0.440 122.393 122.820 0.021 0.000 1.883 353 A HA -0.228 4.090 4.320 -0.004 0.000 0.217 353 A C 2.278 179.739 177.584 -0.205 0.000 1.186 353 A CA 2.233 54.320 52.037 0.083 0.000 0.624 353 A CB -0.629 18.619 19.000 0.413 0.000 0.822 353 A HN 0.519 nan 8.150 nan 0.000 0.444 354 L N -0.273 120.710 121.223 -0.400 0.000 2.046 354 L HA -0.150 4.187 4.340 -0.004 0.000 0.208 354 L C 2.396 178.987 176.870 -0.465 0.000 1.077 354 L CA 1.613 55.864 54.840 -0.981 0.000 0.747 354 L CB -0.256 41.529 42.059 -0.456 0.000 0.896 354 L HN 0.228 nan 8.230 nan 0.000 0.432 355 V N 0.333 120.126 119.914 -0.201 0.000 2.237 355 V HA -0.323 3.795 4.120 -0.004 0.000 0.245 355 V C 2.261 178.313 176.094 -0.071 0.000 1.046 355 V CA 2.219 64.471 62.300 -0.080 0.000 1.007 355 V CB -0.691 31.114 31.823 -0.029 0.000 0.638 355 V HN 0.511 nan 8.190 nan 0.000 0.445 356 D N -1.008 119.357 120.400 -0.058 0.000 2.116 356 D HA -0.217 4.420 4.640 -0.004 0.000 0.193 356 D C 2.112 178.398 176.300 -0.024 0.000 0.998 356 D CA 1.751 55.739 54.000 -0.020 0.000 0.836 356 D CB -0.489 40.315 40.800 0.007 0.000 0.951 356 D HN 0.551 nan 8.370 nan 0.000 0.449 357 H N 0.651 119.627 119.070 -0.158 0.000 2.387 357 H HA -0.049 4.504 4.556 -0.004 0.000 0.299 357 H C 2.020 177.287 175.328 -0.101 0.000 1.090 357 H CA 0.943 56.915 56.048 -0.126 0.000 1.332 357 H CB 0.007 29.649 29.762 -0.199 0.000 1.386 357 H HN -0.032 nan 8.280 nan 0.000 0.516 358 V N 1.186 121.047 119.914 -0.087 0.000 2.283 358 V HA -0.240 3.877 4.120 -0.004 0.000 0.243 358 V C 2.878 178.947 176.094 -0.041 0.000 1.039 358 V CA 1.473 63.718 62.300 -0.091 0.000 1.016 358 V CB -0.481 31.236 31.823 -0.176 0.000 0.650 358 V HN 0.327 nan 8.190 nan 0.000 0.449 359 M N -0.208 119.381 119.600 -0.019 0.000 2.106 359 M HA -0.225 4.252 4.480 -0.004 0.000 0.259 359 M C 2.195 178.509 176.300 0.023 0.000 1.068 359 M CA 1.818 57.141 55.300 0.038 0.000 1.100 359 M CB -1.255 31.375 32.600 0.050 0.000 1.351 359 M HN 0.530 nan 8.290 nan 0.000 0.404 360 E N -0.857 119.329 120.200 -0.023 0.000 2.072 360 E HA -0.240 4.107 4.350 -0.004 0.000 0.191 360 E C 2.068 178.635 176.600 -0.055 0.000 0.985 360 E CA 1.101 57.474 56.400 -0.044 0.000 0.801 360 E CB -0.240 29.416 29.700 -0.072 0.000 0.750 360 E HN 0.521 nan 8.360 nan 0.000 0.452 361 Y N 1.648 121.818 120.300 -0.217 0.000 2.224 361 Y HA -0.183 4.364 4.550 -0.004 0.000 0.289 361 Y C 2.432 178.267 175.900 -0.108 0.000 1.146 361 Y CA 2.216 60.199 58.100 -0.195 0.000 1.182 361 Y CB -0.406 37.905 38.460 -0.248 0.000 0.983 361 Y HN 0.143 nan 8.280 nan 0.000 0.524 362 T N -2.679 111.923 114.554 0.081 0.000 3.155 362 T HA -0.047 4.301 4.350 -0.004 0.000 0.264 362 T C 1.339 176.042 174.700 0.006 0.000 1.160 362 T CA 1.120 63.248 62.100 0.046 0.000 1.075 362 T CB -0.239 68.674 68.868 0.075 0.000 0.921 362 T HN 0.374 nan 8.240 nan 0.000 0.533 363 K N 0.240 120.612 120.400 -0.048 0.000 2.350 363 K HA 0.207 4.525 4.320 -0.004 0.000 0.196 363 K C 0.450 176.985 176.600 -0.108 0.000 1.084 363 K CA -0.100 56.158 56.287 -0.048 0.000 0.967 363 K CB 0.425 32.910 32.500 -0.026 0.000 0.950 363 K HN 0.250 nan 8.250 nan 0.000 0.512 364 K N 2.885 123.169 120.400 -0.194 0.000 2.453 364 K HA 0.043 4.361 4.320 -0.004 0.000 0.280 364 K C -2.543 173.927 176.600 -0.217 0.000 1.045 364 K CA -1.066 55.081 56.287 -0.233 0.000 1.059 364 K CB 0.002 32.275 32.500 -0.378 0.000 0.901 364 K HN -0.097 nan 8.250 nan 0.000 0.475 365 P HA -0.055 nan 4.420 nan 0.000 0.264 365 P C -0.046 177.181 177.300 -0.122 0.000 1.193 365 P CA 0.332 63.368 63.100 -0.108 0.000 0.763 365 P CB 0.565 32.220 31.700 -0.076 0.000 0.810 366 E N 1.466 121.605 120.200 -0.102 0.000 3.876 366 E HA 0.210 4.557 4.350 -0.004 0.000 0.398 366 E C 0.081 176.649 176.600 -0.055 0.000 1.531 366 E CA -0.219 56.131 56.400 -0.083 0.000 2.239 366 E CB 0.148 29.814 29.700 -0.058 0.000 1.198 366 E HN 0.322 nan 8.360 nan 0.000 0.720 367 L N -0.061 121.143 121.223 -0.032 0.000 2.303 367 L HA 0.350 4.687 4.340 -0.004 0.000 0.256 367 L C -0.611 176.251 176.870 -0.012 0.000 1.034 367 L CA -1.411 53.418 54.840 -0.018 0.000 0.832 367 L CB 1.528 43.584 42.059 -0.005 0.000 1.403 367 L HN 0.320 nan 8.230 nan 0.000 0.419 368 V N -0.316 119.592 119.914 -0.009 0.000 2.557 368 V HA 0.125 4.242 4.120 -0.004 0.000 0.301 368 V C 0.444 176.538 176.094 -0.001 0.000 1.026 368 V CA -0.754 61.542 62.300 -0.007 0.000 1.137 368 V CB -0.211 31.609 31.823 -0.006 0.000 0.917 368 V HN 0.639 nan 8.190 nan 0.000 0.484 369 R N 3.700 124.199 120.500 -0.001 0.000 2.614 369 R HA -0.004 4.334 4.340 -0.004 0.000 0.335 369 R C 0.581 176.888 176.300 0.012 0.000 0.859 369 R CA 0.536 56.640 56.100 0.007 0.000 1.123 369 R CB -0.986 29.316 30.300 0.004 0.000 0.887 369 R HN 0.906 nan 8.270 nan 0.000 0.407 370 S N 6.294 122.006 115.700 0.020 0.000 2.509 370 S HA 0.078 4.545 4.470 -0.004 0.000 0.287 370 S C -1.887 172.722 174.600 0.014 0.000 1.248 370 S CA -0.774 57.436 58.200 0.018 0.000 1.089 370 S CB 0.232 63.450 63.200 0.029 0.000 0.900 370 S HN 0.321 nan 8.310 nan 0.000 0.496 371 P HA -0.096 nan 4.420 nan 0.000 0.260 371 P C -0.162 177.141 177.300 0.005 0.000 1.147 371 P CA 0.287 63.389 63.100 0.003 0.000 0.758 371 P CB 0.258 31.956 31.700 -0.004 0.000 0.744 372 M N 4.632 124.240 119.600 0.013 0.000 2.228 372 M HA 0.167 4.644 4.480 -0.004 0.000 0.351 372 M C -0.290 176.015 176.300 0.007 0.000 1.233 372 M CA 0.213 55.525 55.300 0.020 0.000 1.129 372 M CB 0.330 32.948 32.600 0.030 0.000 1.604 372 M HN 0.165 nan 8.290 nan 0.000 0.457 373 V N 3.262 123.179 119.914 0.005 0.000 2.881 373 V HA 0.759 4.876 4.120 -0.004 0.000 0.316 373 V C -2.475 173.628 176.094 0.015 0.000 1.070 373 V CA -2.343 59.952 62.300 -0.008 0.000 0.976 373 V CB 0.759 32.550 31.823 -0.053 0.000 1.038 373 V HN 0.751 nan 8.190 nan 0.000 0.446 374 P HA 0.255 nan 4.420 nan 0.000 0.260 374 P C -0.952 176.371 177.300 0.038 0.000 1.172 374 P CA 0.534 63.646 63.100 0.021 0.000 0.760 374 P CB 0.090 31.799 31.700 0.014 0.000 0.773 375 L N 6.033 127.278 121.223 0.036 0.000 2.356 375 L HA 0.466 4.803 4.340 -0.004 0.000 0.277 375 L C -1.723 175.161 176.870 0.024 0.000 0.996 375 L CA -2.150 52.715 54.840 0.043 0.000 0.822 375 L CB 1.981 44.065 42.059 0.042 0.000 1.256 375 L HN 0.302 nan 8.230 nan 0.000 0.413 376 P HA 0.085 nan 4.420 nan 0.000 0.274 376 P C -0.830 176.476 177.300 0.010 0.000 1.260 376 P CA -0.633 62.477 63.100 0.016 0.000 0.793 376 P CB 0.773 32.484 31.700 0.018 0.000 1.048 377 M N 1.240 120.848 119.600 0.013 0.000 2.108 377 M HA 0.379 4.856 4.480 -0.004 0.000 0.354 377 M C -2.431 173.894 176.300 0.041 0.000 1.229 377 M CA -2.470 52.842 55.300 0.020 0.000 1.081 377 M CB 0.126 32.741 32.600 0.025 0.000 1.606 377 M HN 0.054 nan 8.290 nan 0.000 0.467 378 P HA -0.008 nan 4.420 nan 0.000 0.260 378 P C -1.244 176.170 177.300 0.189 0.000 1.185 378 P CA 0.132 63.295 63.100 0.105 0.000 0.763 378 P CB 0.215 31.965 31.700 0.084 0.000 0.776 379 K N 3.883 124.346 120.400 0.105 0.000 2.447 379 K HA -0.001 4.316 4.320 -0.004 0.000 0.281 379 K C 0.185 176.787 176.600 0.004 0.000 1.031 379 K CA -0.124 56.185 56.287 0.037 0.000 1.019 379 K CB 0.287 32.762 32.500 -0.042 0.000 0.918 379 K HN 0.278 nan 8.250 nan 0.000 0.476 380 K N 5.562 125.884 120.400 -0.130 0.000 2.258 380 K HA 0.138 4.455 4.320 -0.004 0.000 0.284 380 K C -0.651 175.719 176.600 -0.383 0.000 1.051 380 K CA -0.414 55.562 56.287 -0.519 0.000 0.923 380 K CB 0.533 32.704 32.500 -0.548 0.000 1.046 380 K HN 0.550 nan 8.250 nan 0.000 0.474 381 L N 6.526 127.500 121.223 -0.415 0.000 2.328 381 L HA 0.304 4.641 4.340 -0.004 0.000 0.280 381 L C 0.443 177.010 176.870 -0.505 0.000 1.111 381 L CA -0.512 54.084 54.840 -0.408 0.000 0.909 381 L CB 0.363 42.197 42.059 -0.375 0.000 1.277 381 L HN 0.553 nan 8.230 nan 0.000 0.433 382 R N 2.195 122.448 120.500 -0.413 0.000 2.679 382 R HA 0.414 4.752 4.340 -0.004 0.000 0.269 382 R C -1.077 174.958 176.300 -0.441 0.000 1.076 382 R CA -0.134 55.785 56.100 -0.302 0.000 1.160 382 R CB 0.730 30.930 30.300 -0.166 0.000 1.054 382 R HN 0.206 nan 8.270 nan 0.000 0.507 383 F N 0.824 120.777 119.950 0.006 0.000 2.553 383 F HA 0.236 4.760 4.527 -0.004 0.000 0.335 383 F C -0.049 175.770 175.800 0.031 0.000 1.148 383 F CA -1.005 57.013 58.000 0.030 0.000 0.963 383 F CB 1.369 40.414 39.000 0.076 0.000 1.217 383 F HN 0.280 nan 8.300 nan 0.000 0.441 384 N N 4.660 123.483 118.700 0.205 0.000 2.442 384 N HA 0.211 4.949 4.740 -0.004 0.000 0.265 384 N C -0.383 175.208 175.510 0.135 0.000 1.138 384 N CA -0.013 53.112 53.050 0.126 0.000 0.956 384 N CB 1.130 39.663 38.487 0.076 0.000 1.067 384 N HN 0.303 nan 8.380 nan 0.000 0.474 385 I N 1.798 122.432 120.570 0.107 0.000 2.396 385 I HA 0.230 4.397 4.170 -0.004 0.000 0.292 385 I C 1.181 177.333 176.117 0.060 0.000 0.999 385 I CA -0.382 60.969 61.300 0.086 0.000 1.310 385 I CB 0.833 38.880 38.000 0.079 0.000 1.404 385 I HN 0.407 nan 8.210 nan 0.000 0.496 386 T N 2.529 117.113 114.554 0.051 0.000 2.926 386 T HA 0.493 4.840 4.350 -0.004 0.000 0.289 386 T C -2.241 172.478 174.700 0.032 0.000 1.054 386 T CA -1.837 60.285 62.100 0.037 0.000 1.015 386 T CB 2.021 70.909 68.868 0.033 0.000 1.167 386 T HN 0.209 nan 8.240 nan 0.000 0.526 387 P HA -0.021 nan 4.420 nan 0.000 0.220 387 P C 1.302 178.615 177.300 0.021 0.000 1.148 387 P CA 0.748 63.861 63.100 0.021 0.000 0.803 387 P CB 0.249 31.959 31.700 0.017 0.000 0.782 388 E N -0.513 119.700 120.200 0.023 0.000 2.076 388 E HA -0.075 4.273 4.350 -0.004 0.000 0.190 388 E C 1.942 178.561 176.600 0.032 0.000 0.979 388 E CA 0.667 57.081 56.400 0.024 0.000 0.807 388 E CB -0.307 29.405 29.700 0.021 0.000 0.761 388 E HN 0.172 nan 8.360 nan 0.000 0.454 389 I N 1.182 121.774 120.570 0.037 0.000 2.226 389 I HA -0.262 3.905 4.170 -0.004 0.000 0.245 389 I C 2.516 178.654 176.117 0.035 0.000 1.100 389 I CA 1.018 62.344 61.300 0.045 0.000 1.374 389 I CB -0.181 37.850 38.000 0.051 0.000 1.057 389 I HN -0.002 nan 8.210 nan 0.000 0.413 390 K N 1.444 121.862 120.400 0.030 0.000 2.148 390 K HA -0.196 4.121 4.320 -0.004 0.000 0.204 390 K C 1.754 178.364 176.600 0.017 0.000 1.050 390 K CA 1.541 57.843 56.287 0.023 0.000 0.942 390 K CB -0.341 32.174 32.500 0.025 0.000 0.724 390 K HN 0.129 nan 8.250 nan 0.000 0.446 391 N N 0.811 119.523 118.700 0.019 0.000 2.216 391 N HA -0.107 4.631 4.740 -0.004 0.000 0.183 391 N C 0.925 176.444 175.510 0.016 0.000 1.017 391 N CA 1.485 54.544 53.050 0.015 0.000 0.861 391 N CB -0.136 38.360 38.487 0.015 0.000 0.986 391 N HN 0.223 nan 8.380 nan 0.000 0.428 392 D N 0.208 120.624 120.400 0.028 0.000 2.117 392 D HA -0.097 4.540 4.640 -0.004 0.000 0.197 392 D C 1.995 178.304 176.300 0.015 0.000 0.987 392 D CA 0.709 54.732 54.000 0.038 0.000 0.829 392 D CB -0.163 40.683 40.800 0.076 0.000 0.961 392 D HN 0.391 nan 8.370 nan 0.000 0.460 393 I N 1.246 121.818 120.570 0.002 0.000 2.208 393 I HA -0.226 3.941 4.170 -0.004 0.000 0.245 393 I C 2.347 178.446 176.117 -0.029 0.000 1.097 393 I CA 1.024 62.308 61.300 -0.027 0.000 1.363 393 I CB -0.099 37.885 38.000 -0.027 0.000 1.051 393 I HN -0.115 nan 8.210 nan 0.000 0.413 394 E N 1.048 121.240 120.200 -0.014 0.000 2.110 394 E HA -0.195 4.152 4.350 -0.004 0.000 0.193 394 E C 2.122 178.712 176.600 -0.016 0.000 0.988 394 E CA 1.160 57.552 56.400 -0.014 0.000 0.804 394 E CB -0.149 29.548 29.700 -0.005 0.000 0.745 394 E HN 0.492 nan 8.360 nan 0.000 0.458 395 K N 0.329 120.722 120.400 -0.011 0.000 2.097 395 K HA -0.001 4.316 4.320 -0.004 0.000 0.205 395 K C 2.117 178.704 176.600 -0.021 0.000 1.050 395 K CA 0.997 57.278 56.287 -0.011 0.000 0.938 395 K CB -0.048 32.453 32.500 0.001 0.000 0.718 395 K HN 0.025 nan 8.250 nan 0.000 0.442 396 A N 1.878 124.679 122.820 -0.032 0.000 1.930 396 A HA -0.173 4.145 4.320 -0.004 0.000 0.217 396 A C 1.864 179.409 177.584 -0.064 0.000 1.175 396 A CA 1.377 53.377 52.037 -0.060 0.000 0.627 396 A CB -0.230 18.712 19.000 -0.097 0.000 0.815 396 A HN 0.162 nan 8.150 nan 0.000 0.443 397 K N -0.478 119.889 120.400 -0.054 0.000 2.009 397 K HA -0.214 4.104 4.320 -0.004 0.000 0.210 397 K C 2.356 178.934 176.600 -0.036 0.000 1.049 397 K CA 1.887 58.146 56.287 -0.047 0.000 0.929 397 K CB -0.257 32.219 32.500 -0.039 0.000 0.714 397 K HN 0.600 nan 8.250 nan 0.000 0.440 398 Q N 0.425 120.207 119.800 -0.030 0.000 2.096 398 Q HA -0.217 4.120 4.340 -0.004 0.000 0.204 398 Q C 1.995 177.978 176.000 -0.029 0.000 0.982 398 Q CA 1.859 57.647 55.803 -0.024 0.000 0.850 398 Q CB -0.220 28.506 28.738 -0.019 0.000 0.901 398 Q HN 0.316 nan 8.270 nan 0.000 0.422 399 N N 0.373 119.053 118.700 -0.033 0.000 2.080 399 N HA -0.189 4.548 4.740 -0.004 0.000 0.189 399 N C 1.630 177.112 175.510 -0.047 0.000 1.036 399 N CA 0.839 53.869 53.050 -0.033 0.000 0.846 399 N CB -0.202 38.269 38.487 -0.027 0.000 1.015 399 N HN 0.144 nan 8.380 nan 0.000 0.423 400 L N 0.411 121.592 121.223 -0.070 0.000 2.042 400 L HA -0.101 4.237 4.340 -0.004 0.000 0.210 400 L C 2.414 179.230 176.870 -0.091 0.000 1.076 400 L CA 1.837 56.616 54.840 -0.101 0.000 0.749 400 L CB -1.344 40.653 42.059 -0.104 0.000 0.893 400 L HN 0.310 nan 8.230 nan 0.000 0.432 401 S N -0.642 115.025 115.700 -0.054 0.000 2.365 401 S HA -0.223 4.245 4.470 -0.004 0.000 0.225 401 S C 2.056 176.630 174.600 -0.044 0.000 1.039 401 S CA 1.864 60.042 58.200 -0.036 0.000 1.033 401 S CB -0.466 62.727 63.200 -0.012 0.000 0.887 401 S HN 0.495 nan 8.310 nan 0.000 0.447 402 I N 0.946 121.494 120.570 -0.037 0.000 2.127 402 I HA -0.260 3.908 4.170 -0.004 0.000 0.241 402 I C 2.643 178.739 176.117 -0.035 0.000 1.075 402 I CA 1.693 62.977 61.300 -0.027 0.000 1.334 402 I CB -0.421 37.567 38.000 -0.021 0.000 1.040 402 I HN 0.379 nan 8.210 nan 0.000 0.405 403 M N 0.342 119.913 119.600 -0.049 0.000 2.110 403 M HA -0.288 4.189 4.480 -0.004 0.000 0.257 403 M C 2.369 178.592 176.300 -0.128 0.000 1.071 403 M CA 2.195 57.459 55.300 -0.061 0.000 1.096 403 M CB -0.558 31.969 32.600 -0.122 0.000 1.300 403 M HN 0.173 nan 8.290 nan 0.000 0.411 404 I N -0.483 119.943 120.570 -0.239 0.000 2.264 404 I HA -0.321 3.847 4.170 -0.004 0.000 0.248 404 I C 2.379 178.402 176.117 -0.156 0.000 1.111 404 I CA 1.463 62.547 61.300 -0.360 0.000 1.382 404 I CB -0.526 37.226 38.000 -0.413 0.000 1.060 404 I HN 0.428 nan 8.210 nan 0.000 0.418 405 Q N -0.112 119.642 119.800 -0.077 0.000 2.291 405 Q HA -0.229 4.108 4.340 -0.004 0.000 0.205 405 Q C 1.423 177.423 176.000 -0.000 0.000 0.970 405 Q CA 1.237 57.025 55.803 -0.025 0.000 0.876 405 Q CB 0.007 28.741 28.738 -0.008 0.000 0.935 405 Q HN 0.369 nan 8.270 nan 0.000 0.455 406 D N -0.652 119.758 120.400 0.016 0.000 2.367 406 D HA -0.013 4.624 4.640 -0.004 0.000 0.207 406 D C -0.424 175.969 176.300 0.155 0.000 1.034 406 D CA -0.088 53.962 54.000 0.083 0.000 0.861 406 D CB 0.371 41.225 40.800 0.090 0.000 0.943 406 D HN 0.032 nan 8.370 nan 0.000 0.515 407 L N 1.394 122.670 121.223 0.088 0.000 2.313 407 L HA 0.294 4.631 4.340 -0.004 0.000 0.282 407 L C -0.781 176.078 176.870 -0.018 0.000 1.092 407 L CA -0.117 54.755 54.840 0.054 0.000 0.831 407 L CB 1.170 43.230 42.059 0.002 0.000 1.159 407 L HN -0.200 nan 8.230 nan 0.000 0.442 408 D N 5.755 126.121 120.400 -0.056 0.000 2.441 408 D HA 0.395 5.033 4.640 -0.004 0.000 0.231 408 D C -0.851 175.404 176.300 -0.076 0.000 1.073 408 D CA -0.089 53.877 54.000 -0.056 0.000 0.850 408 D CB 0.498 41.277 40.800 -0.036 0.000 1.062 408 D HN 0.468 nan 8.370 nan 0.000 0.524 409 I N 3.190 123.709 120.570 -0.086 0.000 2.474 409 I HA 0.420 4.587 4.170 -0.004 0.000 0.294 409 I C -0.602 175.467 176.117 -0.079 0.000 1.005 409 I CA -1.107 60.130 61.300 -0.104 0.000 1.113 409 I CB 1.863 39.752 38.000 -0.186 0.000 1.289 409 I HN 0.346 nan 8.210 nan 0.000 0.436 410 M N 7.980 127.554 119.600 -0.043 0.000 2.165 410 M HA 0.449 4.927 4.480 -0.004 0.000 0.283 410 M C -1.625 174.679 176.300 0.007 0.000 0.978 410 M CA -0.460 54.835 55.300 -0.009 0.000 0.948 410 M CB 1.526 34.146 32.600 0.033 0.000 1.599 410 M HN 0.303 nan 8.290 nan 0.000 0.450 411 M N 5.930 125.530 119.600 -0.000 0.000 2.084 411 M HA 0.403 4.880 4.480 -0.004 0.000 0.351 411 M C -1.147 175.215 176.300 0.103 0.000 1.240 411 M CA -0.636 54.690 55.300 0.043 0.000 1.083 411 M CB 0.423 33.020 32.600 -0.006 0.000 1.593 411 M HN 0.780 nan 8.290 nan 0.000 0.463 412 L N 4.303 125.630 121.223 0.173 0.000 2.296 412 L HA 0.547 4.885 4.340 -0.004 0.000 0.286 412 L C -0.471 176.573 176.870 0.289 0.000 1.023 412 L CA 0.318 55.282 54.840 0.207 0.000 0.812 412 L CB 1.639 43.803 42.059 0.175 0.000 1.223 412 L HN 0.608 nan 8.230 nan 0.000 0.421 413 T N 6.317 121.009 114.554 0.229 0.000 2.781 413 T HA 0.288 4.635 4.350 -0.004 0.000 0.305 413 T C -0.529 174.306 174.700 0.225 0.000 1.001 413 T CA 0.168 62.409 62.100 0.235 0.000 0.950 413 T CB -0.291 68.668 68.868 0.152 0.000 0.955 413 T HN 0.398 nan 8.240 nan 0.000 0.471 414 F N 6.368 126.391 119.950 0.121 0.000 2.509 414 F HA 0.187 4.711 4.527 -0.005 0.000 0.350 414 F C 1.817 177.549 175.800 -0.114 0.000 1.220 414 F CA -1.048 56.925 58.000 -0.044 0.000 1.151 414 F CB 0.016 39.075 39.000 0.098 0.000 1.379 414 F HN 0.697 nan 8.300 nan 0.000 0.610 415 H N 3.097 121.933 119.070 -0.390 0.000 2.502 415 H HA -0.072 4.482 4.556 -0.004 0.000 0.283 415 H C 1.180 176.196 175.328 -0.520 0.000 1.015 415 H CA 1.005 56.826 56.048 -0.378 0.000 1.298 415 H CB -0.385 29.153 29.762 -0.374 0.000 1.411 415 H HN 0.609 nan 8.280 nan 0.000 0.556 416 H N 1.526 120.037 119.070 -0.932 0.000 2.357 416 H HA -0.084 4.469 4.556 -0.005 0.000 0.296 416 H C 0.510 175.713 175.328 -0.208 0.000 1.108 416 H CA 1.875 57.522 56.048 -0.669 0.000 1.273 416 H CB -0.150 28.917 29.762 -1.159 0.000 1.367 416 H HN 0.491 nan 8.280 nan 0.000 0.498 417 F N -3.625 116.273 119.950 -0.086 0.000 2.944 417 F HA 0.555 5.079 4.527 -0.004 0.000 0.324 417 F C 0.155 176.127 175.800 0.287 0.000 1.151 417 F CA -0.547 57.544 58.000 0.152 0.000 0.883 417 F CB 0.742 39.848 39.000 0.177 0.000 1.341 417 F HN -0.011 nan 8.300 nan 0.000 0.456 418 G N 0.399 109.542 108.800 0.572 0.000 3.324 418 G HA2 0.291 4.249 3.960 -0.004 0.000 0.188 418 G HA3 0.291 4.249 3.960 -0.004 0.000 0.188 418 G C -0.114 174.981 174.900 0.326 0.000 1.384 418 G CA -0.494 44.818 45.100 0.354 0.000 0.841 418 G HN 0.605 nan 8.290 nan 0.000 0.758 419 K N 0.716 121.207 120.400 0.151 0.000 2.243 419 K HA 0.018 4.336 4.320 -0.004 0.000 0.201 419 K C 2.147 178.772 176.600 0.041 0.000 1.051 419 K CA 1.297 57.631 56.287 0.078 0.000 0.970 419 K CB 0.036 32.561 32.500 0.042 0.000 0.755 419 K HN 0.482 nan 8.250 nan 0.000 0.465 420 D N 1.183 121.633 120.400 0.084 0.000 2.106 420 D HA -0.264 4.373 4.640 -0.004 0.000 0.191 420 D C 1.747 178.033 176.300 -0.023 0.000 0.997 420 D CA 1.287 55.315 54.000 0.046 0.000 0.834 420 D CB -0.760 40.096 40.800 0.094 0.000 0.956 420 D HN 0.125 nan 8.370 nan 0.000 0.448 421 F N 2.041 121.902 119.950 -0.148 0.000 2.026 421 F HA -0.015 4.509 4.527 -0.004 0.000 0.296 421 F C -0.844 174.733 175.800 -0.372 0.000 1.133 421 F CA 0.999 58.792 58.000 -0.345 0.000 1.188 421 F CB -1.436 37.104 39.000 -0.767 0.000 0.968 421 F HN -0.021 nan 8.300 nan 0.000 0.476 422 P HA -0.230 nan 4.420 nan 0.000 0.216 422 P C 1.320 178.372 177.300 -0.414 0.000 1.154 422 P CA 2.526 65.241 63.100 -0.641 0.000 0.865 422 P CB -0.162 31.266 31.700 -0.453 0.000 0.789 423 K N -0.466 119.775 120.400 -0.266 0.000 2.211 423 K HA -0.065 4.252 4.320 -0.004 0.000 0.203 423 K C 2.173 178.656 176.600 -0.195 0.000 1.050 423 K CA 1.735 57.920 56.287 -0.170 0.000 0.945 423 K CB -0.468 31.978 32.500 -0.090 0.000 0.732 423 K HN 0.250 nan 8.250 nan 0.000 0.451 424 S N 0.731 116.268 115.700 -0.272 0.000 2.489 424 S HA -0.024 4.443 4.470 -0.004 0.000 0.228 424 S C 1.402 175.830 174.600 -0.287 0.000 0.995 424 S CA 0.637 58.696 58.200 -0.236 0.000 0.934 424 S CB 0.128 63.198 63.200 -0.216 0.000 0.771 424 S HN 0.145 nan 8.310 nan 0.000 0.522 425 E N 1.058 121.005 120.200 -0.420 0.000 2.463 425 E HA 0.143 4.491 4.350 -0.004 0.000 0.193 425 E C -0.247 176.233 176.600 -0.201 0.000 1.041 425 E CA -0.041 56.146 56.400 -0.356 0.000 0.879 425 E CB 0.125 29.501 29.700 -0.539 0.000 0.997 425 E HN 0.373 nan 8.360 nan 0.000 0.478 426 K N -0.002 120.299 120.400 -0.166 0.000 3.117 426 K HA -0.183 4.135 4.320 -0.004 0.000 0.269 426 K C -0.282 176.274 176.600 -0.073 0.000 1.098 426 K CA 0.545 56.775 56.287 -0.095 0.000 0.785 426 K CB -2.225 30.235 32.500 -0.066 0.000 1.242 426 K HN 0.212 nan 8.250 nan 0.000 0.491 427 L N 0.002 121.168 121.223 -0.095 0.000 2.381 427 L HA 0.333 4.670 4.340 -0.004 0.000 0.268 427 L C 0.697 177.562 176.870 -0.009 0.000 0.997 427 L CA -0.848 53.972 54.840 -0.033 0.000 0.818 427 L CB 2.040 44.095 42.059 -0.007 0.000 1.310 427 L HN 0.075 nan 8.230 nan 0.000 0.416 428 S N 2.201 117.929 115.700 0.047 0.000 2.516 428 S HA 0.191 4.658 4.470 -0.004 0.000 0.282 428 S C -1.694 172.967 174.600 0.101 0.000 1.286 428 S CA -0.994 57.247 58.200 0.068 0.000 1.066 428 S CB 0.970 64.228 63.200 0.097 0.000 0.884 428 S HN 0.368 nan 8.310 nan 0.000 0.491 429 P HA -0.062 nan 4.420 nan 0.000 0.217 429 P C 0.888 178.290 177.300 0.170 0.000 1.150 429 P CA 0.943 64.103 63.100 0.100 0.000 0.832 429 P CB 0.115 31.856 31.700 0.067 0.000 0.787 430 D N -0.530 119.967 120.400 0.161 0.000 2.084 430 D HA -0.144 4.493 4.640 -0.004 0.000 0.196 430 D C 1.974 178.339 176.300 0.108 0.000 0.985 430 D CA 1.468 55.580 54.000 0.186 0.000 0.826 430 D CB -0.669 40.264 40.800 0.222 0.000 0.978 430 D HN -0.066 nan 8.370 nan 0.000 0.456 431 A N -0.299 122.597 122.820 0.126 0.000 1.917 431 A HA -0.169 4.148 4.320 -0.004 0.000 0.219 431 A C 2.224 179.781 177.584 -0.045 0.000 1.182 431 A CA 1.547 53.601 52.037 0.028 0.000 0.633 431 A CB -1.349 17.750 19.000 0.165 0.000 0.819 431 A HN 0.468 nan 8.150 nan 0.000 0.448 432 F N 0.720 120.636 119.950 -0.057 0.000 2.069 432 F HA -0.215 4.310 4.527 -0.004 0.000 0.298 432 F C 2.053 177.820 175.800 -0.055 0.000 1.113 432 F CA 2.064 60.043 58.000 -0.036 0.000 1.214 432 F CB -0.270 38.750 39.000 0.034 0.000 0.978 432 F HN 0.206 nan 8.300 nan 0.000 0.474 433 I N -0.058 120.636 120.570 0.206 0.000 2.163 433 I HA -0.324 3.843 4.170 -0.004 0.000 0.243 433 I C 2.465 178.479 176.117 -0.171 0.000 1.085 433 I CA 1.122 62.423 61.300 0.003 0.000 1.347 433 I CB -0.731 37.144 38.000 -0.209 0.000 1.044 433 I HN 0.245 nan 8.210 nan 0.000 0.408 434 Q N 0.420 120.088 119.800 -0.221 0.000 2.096 434 Q HA -0.160 4.177 4.340 -0.004 0.000 0.204 434 Q C 2.508 178.368 176.000 -0.234 0.000 0.982 434 Q CA 1.457 57.097 55.803 -0.270 0.000 0.850 434 Q CB -0.552 27.830 28.738 -0.594 0.000 0.901 434 Q HN 0.416 nan 8.270 nan 0.000 0.422 435 V N 0.989 120.744 119.914 -0.266 0.000 2.515 435 V HA -0.219 3.899 4.120 -0.004 0.000 0.250 435 V C 2.349 178.384 176.094 -0.098 0.000 1.058 435 V CA 1.525 63.733 62.300 -0.154 0.000 1.064 435 V CB -0.967 30.727 31.823 -0.216 0.000 0.675 435 V HN 0.312 nan 8.190 nan 0.000 0.461 436 A N -0.002 122.692 122.820 -0.210 0.000 1.902 436 A HA -0.193 4.124 4.320 -0.004 0.000 0.217 436 A C 2.148 179.680 177.584 -0.088 0.000 1.181 436 A CA 1.985 53.922 52.037 -0.165 0.000 0.623 436 A CB -0.565 18.304 19.000 -0.219 0.000 0.818 436 A HN 0.452 nan 8.150 nan 0.000 0.443 437 L N -0.503 120.661 121.223 -0.098 0.000 2.083 437 L HA -0.185 4.153 4.340 -0.004 0.000 0.209 437 L C 2.316 179.209 176.870 0.039 0.000 1.083 437 L CA 2.090 56.897 54.840 -0.054 0.000 0.752 437 L CB -0.647 41.382 42.059 -0.050 0.000 0.899 437 L HN 0.355 nan 8.230 nan 0.000 0.433 438 Q N -0.788 119.040 119.800 0.047 0.000 2.119 438 Q HA -0.160 4.177 4.340 -0.004 0.000 0.201 438 Q C 2.252 178.341 176.000 0.149 0.000 0.972 438 Q CA 1.582 57.454 55.803 0.115 0.000 0.847 438 Q CB -0.667 28.131 28.738 0.100 0.000 0.903 438 Q HN 0.490 nan 8.270 nan 0.000 0.433 439 L N 0.645 121.917 121.223 0.081 0.000 2.083 439 L HA -0.051 4.286 4.340 -0.004 0.000 0.209 439 L C 2.048 178.979 176.870 0.101 0.000 1.083 439 L CA 2.025 56.881 54.840 0.027 0.000 0.752 439 L CB -0.874 41.171 42.059 -0.022 0.000 0.899 439 L HN 0.104 nan 8.230 nan 0.000 0.433 440 A N -1.471 121.407 122.820 0.096 0.000 1.873 440 A HA -0.252 4.065 4.320 -0.004 0.000 0.215 440 A C 2.301 179.973 177.584 0.146 0.000 1.186 440 A CA 1.626 53.739 52.037 0.128 0.000 0.616 440 A CB -1.184 17.844 19.000 0.047 0.000 0.823 440 A HN 0.583 nan 8.150 nan 0.000 0.442 441 Y N -1.284 119.059 120.300 0.071 0.000 2.097 441 Y HA -0.304 4.245 4.550 -0.001 0.000 0.282 441 Y C 2.289 178.315 175.900 0.210 0.000 1.152 441 Y CA 2.293 60.479 58.100 0.143 0.000 1.136 441 Y CB -0.656 37.887 38.460 0.138 0.000 0.975 441 Y HN 0.435 nan 8.280 nan 0.000 0.498 442 Y N 0.867 121.300 120.300 0.222 0.000 2.165 442 Y HA -0.284 4.266 4.550 -0.001 0.000 0.286 442 Y C 2.524 178.427 175.900 0.004 0.000 1.155 442 Y CA 2.077 60.252 58.100 0.124 0.000 1.164 442 Y CB -0.336 38.179 38.460 0.092 0.000 0.978 442 Y HN 0.038 nan 8.280 nan 0.000 0.513 443 R N -0.274 120.336 120.500 0.184 0.000 2.120 443 R HA -0.149 4.189 4.340 -0.004 0.000 0.234 443 R C 2.121 178.374 176.300 -0.079 0.000 1.123 443 R CA 1.863 58.040 56.100 0.128 0.000 0.975 443 R CB -0.302 30.162 30.300 0.273 0.000 0.866 443 R HN 0.435 nan 8.270 nan 0.000 0.446 444 I N -1.374 118.981 120.570 -0.360 0.000 2.339 444 I HA -0.187 3.981 4.170 -0.004 0.000 0.245 444 I C 1.189 176.788 176.117 -0.864 0.000 1.096 444 I CA 1.151 61.968 61.300 -0.804 0.000 1.408 444 I CB 0.024 37.297 38.000 -1.211 0.000 1.092 444 I HN 0.104 nan 8.210 nan 0.000 0.423 445 Y N 0.357 120.367 120.300 -0.484 0.000 2.449 445 Y HA 0.330 4.878 4.550 -0.004 0.000 0.254 445 Y C 1.807 177.489 175.900 -0.365 0.000 1.140 445 Y CA 0.320 58.171 58.100 -0.415 0.000 1.272 445 Y CB 0.184 38.323 38.460 -0.535 0.000 1.114 445 Y HN 0.254 nan 8.280 nan 0.000 0.525 446 G N 0.984 109.522 108.800 -0.437 0.000 2.155 446 G HA2 -0.269 3.688 3.960 -0.004 0.000 0.257 446 G HA3 -0.269 3.688 3.960 -0.004 0.000 0.257 446 G C -0.003 174.495 174.900 -0.669 0.000 0.983 446 G CA 0.617 45.291 45.100 -0.709 0.000 0.676 446 G HN 0.510 nan 8.290 nan 0.000 0.528 447 Q N -1.818 117.796 119.800 -0.309 0.000 2.630 447 Q HA 0.802 5.140 4.340 -0.004 0.000 0.295 447 Q C -0.308 175.941 176.000 0.415 0.000 0.944 447 Q CA -0.507 55.362 55.803 0.111 0.000 0.766 447 Q CB 0.847 29.659 28.738 0.124 0.000 1.471 447 Q HN 1.321 nan 8.270 nan 0.000 0.416 448 A N 0.287 123.346 122.820 0.400 0.000 2.242 448 A HA 0.891 5.208 4.320 -0.004 0.000 0.304 448 A C -0.025 177.666 177.584 0.178 0.000 1.100 448 A CA 0.101 52.336 52.037 0.331 0.000 0.860 448 A CB 0.721 19.859 19.000 0.230 0.000 1.168 448 A HN 1.270 nan 8.150 nan 0.000 0.503 449 C N -2.368 116.905 119.300 -0.045 0.000 3.239 449 C HA 0.820 5.277 4.460 -0.004 0.000 0.317 449 C C 0.299 175.271 174.990 -0.030 0.000 1.310 449 C CA -0.489 58.467 59.018 -0.104 0.000 1.371 449 C CB 0.647 28.155 27.740 -0.386 0.000 1.714 449 C HN 1.936 nan 8.230 nan 0.000 0.473 450 A N 2.252 125.104 122.820 0.053 0.000 2.561 450 A HA 0.507 4.824 4.320 -0.004 0.000 0.251 450 A C 0.458 178.226 177.584 0.307 0.000 1.062 450 A CA 0.896 53.035 52.037 0.170 0.000 0.761 450 A CB -0.516 18.509 19.000 0.041 0.000 0.986 450 A HN 1.098 nan 8.150 nan 0.000 0.510 451 T N 2.125 116.885 114.554 0.343 0.000 2.876 451 T HA 0.547 4.895 4.350 -0.004 0.000 0.289 451 T C -1.058 173.731 174.700 0.149 0.000 1.014 451 T CA -0.119 62.126 62.100 0.242 0.000 0.986 451 T CB 1.172 70.099 68.868 0.098 0.000 1.021 451 T HN 0.558 nan 8.240 nan 0.000 0.458 452 Y N 1.420 121.550 120.300 -0.284 0.000 2.425 452 Y HA 0.603 5.150 4.550 -0.005 0.000 0.344 452 Y C -0.546 175.186 175.900 -0.280 0.000 0.969 452 Y CA -0.722 57.012 58.100 -0.610 0.000 1.052 452 Y CB 1.425 39.014 38.460 -1.452 0.000 1.215 452 Y HN 0.646 nan 8.280 nan 0.000 0.451 453 E N 4.180 124.139 120.200 -0.401 0.000 2.281 453 E HA 0.292 4.639 4.350 -0.004 0.000 0.266 453 E C -1.328 175.052 176.600 -0.367 0.000 0.893 453 E CA -0.639 55.674 56.400 -0.146 0.000 0.798 453 E CB 1.470 31.159 29.700 -0.017 0.000 1.245 453 E HN 0.735 nan 8.360 nan 0.000 0.410 454 S N 1.995 117.635 115.700 -0.099 0.000 2.575 454 S HA 0.232 4.700 4.470 -0.004 0.000 0.295 454 S C -0.223 174.305 174.600 -0.120 0.000 1.267 454 S CA 0.190 58.341 58.200 -0.082 0.000 1.074 454 S CB 0.705 63.967 63.200 0.103 0.000 0.829 454 S HN 0.520 nan 8.310 nan 0.000 0.497 455 A N 3.147 125.867 122.820 -0.168 0.000 2.343 455 A HA 0.651 4.968 4.320 -0.004 0.000 0.316 455 A C 0.080 177.623 177.584 -0.068 0.000 1.104 455 A CA -0.663 51.308 52.037 -0.110 0.000 0.768 455 A CB 1.292 20.205 19.000 -0.145 0.000 1.213 455 A HN 0.636 nan 8.150 nan 0.000 0.456 456 S N 2.001 117.690 115.700 -0.019 0.000 2.474 456 S HA 0.353 4.820 4.470 -0.004 0.000 0.276 456 S C 0.418 175.036 174.600 0.031 0.000 1.227 456 S CA -0.466 57.736 58.200 0.003 0.000 1.050 456 S CB -0.249 62.962 63.200 0.019 0.000 0.939 456 S HN 0.585 nan 8.310 nan 0.000 0.490 457 L N 5.687 126.927 121.223 0.028 0.000 2.688 457 L HA 0.273 4.610 4.340 -0.004 0.000 0.234 457 L C 2.078 179.058 176.870 0.183 0.000 1.192 457 L CA -0.064 54.848 54.840 0.120 0.000 0.984 457 L CB -0.193 41.875 42.059 0.015 0.000 1.232 457 L HN 0.675 nan 8.230 nan 0.000 0.465 458 R N -0.083 120.476 120.500 0.098 0.000 2.293 458 R HA -0.077 4.260 4.340 -0.004 0.000 0.219 458 R C 1.886 178.209 176.300 0.038 0.000 1.091 458 R CA 0.913 57.059 56.100 0.077 0.000 1.004 458 R CB -0.090 30.240 30.300 0.050 0.000 0.865 458 R HN 0.468 nan 8.270 nan 0.000 0.469 459 M N -0.290 119.292 119.600 -0.030 0.000 2.557 459 M HA -0.007 4.470 4.480 -0.004 0.000 0.259 459 M C -0.326 175.663 176.300 -0.517 0.000 1.086 459 M CA 1.037 56.155 55.300 -0.302 0.000 1.096 459 M CB 0.159 32.467 32.600 -0.487 0.000 1.424 459 M HN -0.090 nan 8.290 nan 0.000 0.488 460 F N -1.503 118.467 119.950 0.033 0.000 2.522 460 F HA 0.323 4.847 4.527 -0.004 0.000 0.324 460 F C 0.700 176.548 175.800 0.080 0.000 1.077 460 F CA -1.353 56.675 58.000 0.046 0.000 0.944 460 F CB 0.389 39.406 39.000 0.028 0.000 1.175 460 F HN -0.055 nan 8.300 nan 0.000 0.468 461 H N 3.879 123.037 119.070 0.146 0.000 3.192 461 H HA 0.033 4.586 4.556 -0.004 0.000 0.295 461 H C 0.670 176.031 175.328 0.055 0.000 0.943 461 H CA 0.562 56.652 56.048 0.070 0.000 1.416 461 H CB 0.293 30.083 29.762 0.046 0.000 1.434 461 H HN 0.845 nan 8.280 nan 0.000 0.565 462 L N 2.833 124.007 121.223 -0.082 0.000 4.696 462 L HA -0.226 4.111 4.340 -0.004 0.000 0.425 462 L C 1.016 177.852 176.870 -0.058 0.000 1.115 462 L CA 0.585 55.332 54.840 -0.156 0.000 0.996 462 L CB -1.686 40.169 42.059 -0.340 0.000 2.077 462 L HN 0.786 nan 8.230 nan 0.000 0.792 463 G N -0.172 108.638 108.800 0.016 0.000 2.398 463 G HA2 0.360 4.318 3.960 -0.004 0.000 0.246 463 G HA3 0.360 4.318 3.960 -0.004 0.000 0.246 463 G C 0.783 175.679 174.900 -0.006 0.000 1.289 463 G CA -0.286 44.816 45.100 0.005 0.000 0.869 463 G HN 0.117 nan 8.290 nan 0.000 0.543 464 R N 0.545 121.010 120.500 -0.058 0.000 1.835 464 R HA 0.308 4.645 4.340 -0.004 0.000 0.162 464 R C 1.013 177.270 176.300 -0.072 0.000 1.911 464 R CA 1.089 57.181 56.100 -0.013 0.000 1.491 464 R CB -0.542 29.806 30.300 0.080 0.000 1.166 464 R HN 0.689 nan 8.270 nan 0.000 0.478 465 T N -1.226 113.186 114.554 -0.238 0.000 2.864 465 T HA 0.546 4.893 4.350 -0.004 0.000 0.299 465 T C -1.037 173.405 174.700 -0.429 0.000 1.166 465 T CA -0.845 61.105 62.100 -0.250 0.000 1.007 465 T CB 2.949 71.743 68.868 -0.122 0.000 1.219 465 T HN 0.031 nan 8.240 nan 0.000 0.506 466 D N -0.595 119.614 120.400 -0.319 0.000 2.592 466 D HA 0.537 5.174 4.640 -0.004 0.000 0.263 466 D C -0.994 175.070 176.300 -0.394 0.000 1.132 466 D CA -0.271 53.526 54.000 -0.337 0.000 0.996 466 D CB 2.663 43.334 40.800 -0.213 0.000 1.442 466 D HN 0.663 nan 8.370 nan 0.000 0.486 467 T N 1.151 115.450 114.554 -0.426 0.000 2.767 467 T HA 0.525 4.873 4.350 -0.004 0.000 0.284 467 T C 0.258 174.621 174.700 -0.562 0.000 0.973 467 T CA -0.368 61.335 62.100 -0.661 0.000 0.996 467 T CB 0.512 69.032 68.868 -0.579 0.000 0.927 467 T HN 0.158 nan 8.240 nan 0.000 0.456 468 I N 3.416 123.577 120.570 -0.681 0.000 2.321 468 I HA 0.349 4.516 4.170 -0.004 0.000 0.291 468 I C 0.581 176.208 176.117 -0.817 0.000 0.998 468 I CA -0.672 60.122 61.300 -0.843 0.000 1.227 468 I CB 1.126 38.750 38.000 -0.626 0.000 1.368 468 I HN 0.325 nan 8.210 nan 0.000 0.466 469 R N 4.270 124.151 120.500 -1.032 0.000 2.205 469 R HA 0.248 4.585 4.340 -0.004 0.000 0.342 469 R C 0.815 176.954 176.300 -0.269 0.000 1.058 469 R CA -0.205 55.666 56.100 -0.381 0.000 0.904 469 R CB 0.991 31.299 30.300 0.014 0.000 1.089 469 R HN 0.629 nan 8.270 nan 0.000 0.471 470 S N 1.779 117.453 115.700 -0.043 0.000 2.428 470 S HA -0.064 4.404 4.470 -0.004 0.000 0.230 470 S C 0.934 175.632 174.600 0.162 0.000 1.014 470 S CA 0.622 58.923 58.200 0.168 0.000 0.957 470 S CB 0.275 63.582 63.200 0.177 0.000 0.784 470 S HN 0.691 nan 8.310 nan 0.000 0.499 471 A N 2.496 125.396 122.820 0.133 0.000 2.376 471 A HA 0.569 4.886 4.320 -0.004 0.000 0.298 471 A C 0.494 178.182 177.584 0.174 0.000 1.271 471 A CA -0.535 51.588 52.037 0.143 0.000 0.926 471 A CB 0.041 19.119 19.000 0.131 0.000 1.141 471 A HN 0.355 nan 8.150 nan 0.000 0.539 472 S N 2.003 117.805 115.700 0.170 0.000 2.704 472 S HA 0.623 5.091 4.470 -0.004 0.000 0.296 472 S C 0.905 175.585 174.600 0.133 0.000 1.138 472 S CA -0.701 57.606 58.200 0.180 0.000 0.875 472 S CB 0.620 63.943 63.200 0.205 0.000 1.151 472 S HN 0.416 nan 8.310 nan 0.000 0.500 473 I N 0.921 121.561 120.570 0.117 0.000 2.163 473 I HA -0.201 3.966 4.170 -0.004 0.000 0.243 473 I C 1.831 177.989 176.117 0.069 0.000 1.085 473 I CA 1.641 62.985 61.300 0.072 0.000 1.347 473 I CB -0.405 37.627 38.000 0.054 0.000 1.044 473 I HN 0.684 nan 8.210 nan 0.000 0.408 474 D N 0.468 120.920 120.400 0.087 0.000 2.144 474 D HA -0.128 4.509 4.640 -0.004 0.000 0.200 474 D C 2.368 178.735 176.300 0.112 0.000 0.978 474 D CA 1.795 55.845 54.000 0.084 0.000 0.833 474 D CB -0.051 40.796 40.800 0.079 0.000 0.961 474 D HN 0.391 nan 8.370 nan 0.000 0.470 475 S N 0.947 116.724 115.700 0.127 0.000 2.355 475 S HA -0.153 4.315 4.470 -0.004 0.000 0.222 475 S C 2.107 176.773 174.600 0.110 0.000 1.031 475 S CA 0.542 58.837 58.200 0.158 0.000 0.993 475 S CB -0.645 62.645 63.200 0.150 0.000 0.859 475 S HN 0.167 nan 8.310 nan 0.000 0.453 476 L N 2.373 123.632 121.223 0.060 0.000 2.046 476 L HA 0.142 4.480 4.340 -0.004 0.000 0.208 476 L C 2.700 179.520 176.870 -0.083 0.000 1.077 476 L CA 1.705 56.532 54.840 -0.023 0.000 0.747 476 L CB -1.338 40.739 42.059 0.029 0.000 0.896 476 L HN 0.372 nan 8.230 nan 0.000 0.432 477 A N -0.756 122.061 122.820 -0.005 0.000 1.908 477 A HA -0.290 4.028 4.320 -0.004 0.000 0.218 477 A C 2.268 179.851 177.584 -0.002 0.000 1.181 477 A CA 2.011 54.044 52.037 -0.007 0.000 0.627 477 A CB -1.234 17.785 19.000 0.032 0.000 0.818 477 A HN 0.573 nan 8.150 nan 0.000 0.445 478 F N 1.328 121.221 119.950 -0.095 0.000 2.134 478 F HA -0.161 4.364 4.527 -0.003 0.000 0.299 478 F C 2.308 178.013 175.800 -0.159 0.000 1.097 478 F CA 1.999 59.937 58.000 -0.104 0.000 1.264 478 F CB -0.597 38.355 39.000 -0.080 0.000 1.001 478 F HN 0.137 nan 8.300 nan 0.000 0.479 479 V N -1.261 118.326 119.914 -0.544 0.000 2.427 479 V HA -0.181 3.936 4.120 -0.004 0.000 0.248 479 V C 2.267 177.881 176.094 -0.800 0.000 1.051 479 V CA 1.886 63.715 62.300 -0.784 0.000 1.048 479 V CB -1.072 30.341 31.823 -0.683 0.000 0.666 479 V HN 0.301 nan 8.190 nan 0.000 0.456 480 K N 1.358 121.356 120.400 -0.670 0.000 1.984 480 K HA 0.027 4.345 4.320 -0.004 0.000 0.209 480 K C 2.412 178.869 176.600 -0.238 0.000 1.046 480 K CA 1.658 57.689 56.287 -0.427 0.000 0.934 480 K CB -1.024 31.347 32.500 -0.215 0.000 0.717 480 K HN 0.561 nan 8.250 nan 0.000 0.438 481 G N 1.589 110.271 108.800 -0.195 0.000 2.476 481 G HA2 -0.326 3.631 3.960 -0.004 0.000 0.218 481 G HA3 -0.326 3.631 3.960 -0.004 0.000 0.218 481 G C 1.487 176.294 174.900 -0.155 0.000 1.164 481 G CA 1.260 46.287 45.100 -0.121 0.000 0.768 481 G HN 0.165 nan 8.290 nan 0.000 0.560 482 M N 1.571 120.990 119.600 -0.302 0.000 2.108 482 M HA -0.031 4.446 4.480 -0.004 0.000 0.257 482 M C 2.226 178.417 176.300 -0.181 0.000 1.071 482 M CA 1.940 57.046 55.300 -0.323 0.000 1.093 482 M CB -0.690 31.488 32.600 -0.703 0.000 1.345 482 M HN 0.133 nan 8.290 nan 0.000 0.403 483 G N -1.257 107.450 108.800 -0.155 0.000 3.088 483 G HA2 -0.006 3.952 3.960 -0.004 0.000 0.217 483 G HA3 -0.006 3.952 3.960 -0.004 0.000 0.217 483 G C -0.108 174.779 174.900 -0.022 0.000 1.159 483 G CA -0.210 44.858 45.100 -0.053 0.000 0.760 483 G HN 0.415 nan 8.290 nan 0.000 0.550 484 D N 0.630 121.006 120.400 -0.039 0.000 2.336 484 D HA 0.239 4.876 4.640 -0.004 0.000 0.249 484 D C 1.139 177.430 176.300 -0.015 0.000 1.213 484 D CA -0.069 53.920 54.000 -0.018 0.000 0.870 484 D CB 1.455 42.241 40.800 -0.024 0.000 1.076 484 D HN -0.057 nan 8.370 nan 0.000 0.483 485 S N 1.793 117.490 115.700 -0.005 0.000 2.419 485 S HA -0.170 4.297 4.470 -0.004 0.000 0.235 485 S C 2.021 176.619 174.600 -0.002 0.000 1.019 485 S CA 1.783 59.981 58.200 -0.003 0.000 0.982 485 S CB 0.075 63.276 63.200 0.001 0.000 0.789 485 S HN 0.781 nan 8.310 nan 0.000 0.490 486 T N -0.843 113.709 114.554 -0.003 0.000 2.896 486 T HA 0.093 4.441 4.350 -0.004 0.000 0.263 486 T C 0.752 175.449 174.700 -0.004 0.000 1.050 486 T CA 0.316 62.415 62.100 -0.002 0.000 1.140 486 T CB -0.479 68.389 68.868 -0.001 0.000 0.877 486 T HN 0.043 nan 8.240 nan 0.000 0.457 487 V N 4.754 124.662 119.914 -0.010 0.000 2.450 487 V HA 0.226 4.343 4.120 -0.004 0.000 0.281 487 V C -2.125 173.959 176.094 -0.017 0.000 1.019 487 V CA -1.525 60.767 62.300 -0.013 0.000 1.062 487 V CB 0.322 32.133 31.823 -0.020 0.000 0.979 487 V HN 0.388 nan 8.190 nan 0.000 0.477 488 P HA 0.082 nan 4.420 nan 0.000 0.266 488 P C 0.942 178.207 177.300 -0.058 0.000 1.195 488 P CA -0.021 63.066 63.100 -0.021 0.000 0.768 488 P CB 0.635 32.329 31.700 -0.011 0.000 0.838 489 E N 1.473 121.625 120.200 -0.079 0.000 2.065 489 E HA -0.344 4.003 4.350 -0.004 0.000 0.201 489 E C 1.702 178.068 176.600 -0.391 0.000 1.016 489 E CA 1.517 57.787 56.400 -0.216 0.000 0.818 489 E CB -0.191 29.390 29.700 -0.200 0.000 0.749 489 E HN 0.473 nan 8.360 nan 0.000 0.453 490 Q N 0.704 120.306 119.800 -0.330 0.000 2.112 490 Q HA -0.228 4.109 4.340 -0.004 0.000 0.206 490 Q C 2.028 177.959 176.000 -0.115 0.000 0.987 490 Q CA 1.750 57.421 55.803 -0.220 0.000 0.858 490 Q CB -0.055 28.666 28.738 -0.029 0.000 0.905 490 Q HN 0.205 nan 8.270 nan 0.000 0.420 491 Q N 0.130 119.887 119.800 -0.071 0.000 2.123 491 Q HA -0.069 4.269 4.340 -0.004 0.000 0.199 491 Q C 1.903 177.896 176.000 -0.012 0.000 0.966 491 Q CA 1.347 57.133 55.803 -0.028 0.000 0.845 491 Q CB -0.226 28.503 28.738 -0.014 0.000 0.907 491 Q HN 0.486 nan 8.270 nan 0.000 0.439 492 K N 0.357 120.742 120.400 -0.025 0.000 2.032 492 K HA -0.091 4.227 4.320 -0.004 0.000 0.209 492 K C 2.148 178.801 176.600 0.089 0.000 1.048 492 K CA 1.322 57.641 56.287 0.053 0.000 0.927 492 K CB -0.456 32.057 32.500 0.021 0.000 0.712 492 K HN 0.028 nan 8.250 nan 0.000 0.441 493 V N 1.963 121.862 119.914 -0.025 0.000 2.490 493 V HA -0.250 3.867 4.120 -0.004 0.000 0.250 493 V C 1.720 177.798 176.094 -0.027 0.000 1.061 493 V CA 1.836 64.127 62.300 -0.016 0.000 1.064 493 V CB -0.211 31.589 31.823 -0.038 0.000 0.670 493 V HN 0.297 nan 8.190 nan 0.000 0.461 494 E N -0.362 119.827 120.200 -0.018 0.000 2.107 494 E HA -0.138 4.210 4.350 -0.004 0.000 0.191 494 E C 2.163 178.750 176.600 -0.022 0.000 0.982 494 E CA 1.313 57.704 56.400 -0.016 0.000 0.809 494 E CB -0.153 29.545 29.700 -0.004 0.000 0.756 494 E HN 0.564 nan 8.360 nan 0.000 0.459 495 L N 0.827 122.062 121.223 0.020 0.000 2.083 495 L HA -0.164 4.173 4.340 -0.004 0.000 0.209 495 L C 2.483 179.290 176.870 -0.106 0.000 1.083 495 L CA 0.655 55.530 54.840 0.059 0.000 0.752 495 L CB -0.255 41.927 42.059 0.204 0.000 0.899 495 L HN 0.226 nan 8.230 nan 0.000 0.433 496 L N -0.340 120.691 121.223 -0.320 0.000 2.005 496 L HA -0.207 4.130 4.340 -0.004 0.000 0.207 496 L C 2.952 179.530 176.870 -0.486 0.000 1.072 496 L CA 1.370 55.622 54.840 -0.980 0.000 0.744 496 L CB -0.219 41.380 42.059 -0.766 0.000 0.895 496 L HN 0.179 nan 8.230 nan 0.000 0.433 497 R N -0.102 120.260 120.500 -0.230 0.000 2.105 497 R HA -0.233 4.104 4.340 -0.004 0.000 0.239 497 R C 2.278 178.524 176.300 -0.091 0.000 1.135 497 R CA 1.673 57.700 56.100 -0.120 0.000 0.967 497 R CB -0.327 29.939 30.300 -0.057 0.000 0.861 497 R HN 0.266 nan 8.270 nan 0.000 0.442 498 K N 1.015 121.365 120.400 -0.083 0.000 2.057 498 K HA -0.051 4.266 4.320 -0.004 0.000 0.206 498 K C 1.968 178.550 176.600 -0.030 0.000 1.050 498 K CA 1.451 57.718 56.287 -0.034 0.000 0.935 498 K CB -0.230 32.264 32.500 -0.010 0.000 0.715 498 K HN 0.125 nan 8.250 nan 0.000 0.439 499 A N 0.150 122.916 122.820 -0.089 0.000 1.902 499 A HA -0.106 4.211 4.320 -0.004 0.000 0.217 499 A C 2.285 179.852 177.584 -0.028 0.000 1.181 499 A CA 1.839 53.843 52.037 -0.055 0.000 0.623 499 A CB -0.784 18.132 19.000 -0.140 0.000 0.818 499 A HN 0.137 nan 8.150 nan 0.000 0.443 500 V N 0.101 119.958 119.914 -0.095 0.000 2.261 500 V HA -0.258 3.859 4.120 -0.004 0.000 0.246 500 V C 2.751 178.885 176.094 0.066 0.000 1.047 500 V CA 2.039 64.328 62.300 -0.019 0.000 1.015 500 V CB -0.810 30.996 31.823 -0.029 0.000 0.642 500 V HN 0.552 nan 8.190 nan 0.000 0.446 501 Q N 0.133 119.956 119.800 0.038 0.000 2.096 501 Q HA -0.171 4.166 4.340 -0.004 0.000 0.204 501 Q C 2.410 178.458 176.000 0.080 0.000 0.982 501 Q CA 1.995 57.831 55.803 0.055 0.000 0.850 501 Q CB -0.961 27.796 28.738 0.031 0.000 0.901 501 Q HN 0.649 nan 8.270 nan 0.000 0.422 502 A N 1.004 123.875 122.820 0.085 0.000 1.908 502 A HA -0.248 4.070 4.320 -0.004 0.000 0.218 502 A C 2.094 179.761 177.584 0.139 0.000 1.181 502 A CA 1.767 53.867 52.037 0.104 0.000 0.627 502 A CB -0.882 18.184 19.000 0.110 0.000 0.818 502 A HN 0.446 nan 8.150 nan 0.000 0.445 503 H N -0.354 118.766 119.070 0.083 0.000 2.321 503 H HA -0.100 4.453 4.556 -0.004 0.000 0.300 503 H C 2.343 177.724 175.328 0.089 0.000 1.087 503 H CA 1.914 58.013 56.048 0.084 0.000 1.319 503 H CB -0.136 29.648 29.762 0.037 0.000 1.379 503 H HN 0.535 nan 8.280 nan 0.000 0.501 504 R N 0.366 120.976 120.500 0.184 0.000 2.081 504 R HA -0.117 4.221 4.340 -0.004 0.000 0.235 504 R C 2.474 178.820 176.300 0.077 0.000 1.131 504 R CA 1.337 57.517 56.100 0.133 0.000 0.960 504 R CB -0.275 30.093 30.300 0.115 0.000 0.856 504 R HN 0.303 nan 8.270 nan 0.000 0.436 505 A N 0.170 123.032 122.820 0.071 0.000 1.883 505 A HA -0.247 4.070 4.320 -0.004 0.000 0.217 505 A C 2.102 179.713 177.584 0.045 0.000 1.186 505 A CA 1.509 53.576 52.037 0.050 0.000 0.624 505 A CB -1.078 17.946 19.000 0.041 0.000 0.822 505 A HN 0.650 nan 8.150 nan 0.000 0.444 506 Y N 0.691 120.916 120.300 -0.125 0.000 2.165 506 Y HA -0.242 4.306 4.550 -0.004 0.000 0.286 506 Y C 2.816 178.600 175.900 -0.194 0.000 1.155 506 Y CA 1.737 59.718 58.100 -0.200 0.000 1.164 506 Y CB -0.182 38.118 38.460 -0.267 0.000 0.978 506 Y HN 0.364 nan 8.280 nan 0.000 0.513 507 T N 0.105 114.678 114.554 0.032 0.000 2.652 507 T HA -0.211 4.136 4.350 -0.004 0.000 0.267 507 T C 1.262 175.987 174.700 0.041 0.000 1.039 507 T CA 1.675 63.770 62.100 -0.009 0.000 1.153 507 T CB -0.406 68.471 68.868 0.015 0.000 0.863 507 T HN 0.406 nan 8.240 nan 0.000 0.428 508 D N 0.686 121.116 120.400 0.051 0.000 2.117 508 D HA -0.036 4.601 4.640 -0.004 0.000 0.197 508 D C 2.439 178.772 176.300 0.055 0.000 0.987 508 D CA 0.847 54.879 54.000 0.052 0.000 0.829 508 D CB -0.196 40.633 40.800 0.049 0.000 0.961 508 D HN 0.318 nan 8.370 nan 0.000 0.460 509 R N 0.666 121.188 120.500 0.036 0.000 2.070 509 R HA -0.064 4.274 4.340 -0.004 0.000 0.233 509 R C 2.347 178.672 176.300 0.041 0.000 1.137 509 R CA 1.235 57.341 56.100 0.010 0.000 0.945 509 R CB -0.386 29.840 30.300 -0.124 0.000 0.845 509 R HN 0.089 nan 8.270 nan 0.000 0.430 510 A N 1.301 124.157 122.820 0.060 0.000 1.940 510 A HA -0.158 4.159 4.320 -0.004 0.000 0.219 510 A C 2.132 179.753 177.584 0.061 0.000 1.176 510 A CA 1.318 53.385 52.037 0.049 0.000 0.631 510 A CB -0.554 18.459 19.000 0.023 0.000 0.814 510 A HN 0.229 nan 8.150 nan 0.000 0.446 511 I N -1.545 119.071 120.570 0.077 0.000 2.493 511 I HA -0.173 3.995 4.170 -0.004 0.000 0.254 511 I C 2.236 178.486 176.117 0.222 0.000 1.160 511 I CA 1.088 62.457 61.300 0.114 0.000 1.445 511 I CB -0.190 37.855 38.000 0.076 0.000 1.086 511 I HN 0.231 nan 8.210 nan 0.000 0.433 512 R N 0.466 121.094 120.500 0.214 0.000 2.334 512 R HA 0.174 4.511 4.340 -0.004 0.000 0.220 512 R C 1.150 177.704 176.300 0.424 0.000 0.917 512 R CA 0.567 56.859 56.100 0.321 0.000 1.073 512 R CB 0.410 30.823 30.300 0.187 0.000 1.056 512 R HN 0.387 nan 8.270 nan 0.000 0.506 513 G N 0.904 109.841 108.800 0.227 0.000 2.132 513 G HA2 -0.294 3.663 3.960 -0.004 0.000 0.234 513 G HA3 -0.294 3.663 3.960 -0.004 0.000 0.234 513 G C 0.367 175.294 174.900 0.046 0.000 0.989 513 G CA 0.157 45.247 45.100 -0.018 0.000 0.676 513 G HN 0.461 nan 8.290 nan 0.000 0.522 514 E N -0.021 120.234 120.200 0.091 0.000 2.463 514 E HA 0.510 4.857 4.350 -0.004 0.000 0.193 514 E C 1.712 178.366 176.600 0.091 0.000 1.041 514 E CA 0.238 56.710 56.400 0.120 0.000 0.879 514 E CB 0.415 30.185 29.700 0.116 0.000 0.997 514 E HN 0.755 nan 8.360 nan 0.000 0.478 515 A N 0.476 123.330 122.820 0.056 0.000 2.292 515 A HA 0.278 4.595 4.320 -0.004 0.000 0.265 515 A C 0.504 178.209 177.584 0.201 0.000 1.133 515 A CA -0.117 51.941 52.037 0.035 0.000 0.807 515 A CB 0.082 19.081 19.000 -0.002 0.000 1.102 515 A HN 0.348 nan 8.150 nan 0.000 0.502 516 F N -2.743 117.331 119.950 0.207 0.000 2.778 516 F HA 0.275 4.799 4.527 -0.005 0.000 0.314 516 F C 0.900 176.845 175.800 0.241 0.000 1.073 516 F CA 0.421 58.579 58.000 0.262 0.000 1.218 516 F CB -0.538 38.632 39.000 0.284 0.000 1.037 516 F HN 0.476 nan 8.300 nan 0.000 0.594 517 D N 1.480 121.744 120.400 -0.228 0.000 2.106 517 D HA -0.165 4.472 4.640 -0.004 0.000 0.191 517 D C 2.119 178.545 176.300 0.210 0.000 0.997 517 D CA 2.005 56.035 54.000 0.050 0.000 0.834 517 D CB -0.030 40.718 40.800 -0.087 0.000 0.956 517 D HN 0.030 nan 8.370 nan 0.000 0.448 518 R N -0.279 120.304 120.500 0.138 0.000 2.081 518 R HA -0.121 4.216 4.340 -0.004 0.000 0.235 518 R C 2.212 178.807 176.300 0.492 0.000 1.131 518 R CA 1.161 57.386 56.100 0.207 0.000 0.960 518 R CB -1.230 29.090 30.300 0.034 0.000 0.856 518 R HN 0.570 nan 8.270 nan 0.000 0.436 519 H N 0.441 119.737 119.070 0.376 0.000 2.387 519 H HA -0.024 4.529 4.556 -0.004 0.000 0.299 519 H C 2.045 177.530 175.328 0.263 0.000 1.099 519 H CA 1.153 57.402 56.048 0.335 0.000 1.315 519 H CB 0.180 30.090 29.762 0.247 0.000 1.380 519 H HN 0.068 nan 8.280 nan 0.000 0.513 520 L N 0.196 121.570 121.223 0.250 0.000 2.056 520 L HA -0.176 4.161 4.340 -0.004 0.000 0.207 520 L C 2.720 179.685 176.870 0.159 0.000 1.078 520 L CA 0.613 55.540 54.840 0.145 0.000 0.749 520 L CB -0.394 41.776 42.059 0.185 0.000 0.901 520 L HN 0.326 nan 8.230 nan 0.000 0.433 521 L N 0.496 121.843 121.223 0.207 0.000 2.012 521 L HA -0.124 4.213 4.340 -0.004 0.000 0.210 521 L C 2.341 179.212 176.870 0.001 0.000 1.073 521 L CA 2.263 57.157 54.840 0.090 0.000 0.748 521 L CB -1.127 41.060 42.059 0.213 0.000 0.891 521 L HN 0.143 nan 8.230 nan 0.000 0.431 522 G N -0.372 108.590 108.800 0.270 0.000 2.446 522 G HA2 -0.261 3.696 3.960 -0.004 0.000 0.217 522 G HA3 -0.261 3.696 3.960 -0.004 0.000 0.217 522 G C 1.611 176.551 174.900 0.067 0.000 1.168 522 G CA 1.162 46.462 45.100 0.333 0.000 0.771 522 G HN 0.458 nan 8.290 nan 0.000 0.551 523 L N 0.194 121.485 121.223 0.113 0.000 2.042 523 L HA -0.115 4.223 4.340 -0.004 0.000 0.210 523 L C 2.822 179.687 176.870 -0.008 0.000 1.076 523 L CA 1.811 56.742 54.840 0.152 0.000 0.749 523 L CB -0.379 41.883 42.059 0.339 0.000 0.893 523 L HN 0.254 nan 8.230 nan 0.000 0.432 524 K N 0.628 120.791 120.400 -0.395 0.000 2.026 524 K HA -0.175 4.142 4.320 -0.004 0.000 0.208 524 K C 2.158 178.462 176.600 -0.492 0.000 1.048 524 K CA 1.306 57.079 56.287 -0.857 0.000 0.929 524 K CB -0.083 31.512 32.500 -1.509 0.000 0.713 524 K HN 0.216 nan 8.250 nan 0.000 0.439 525 L N 0.702 121.590 121.223 -0.558 0.000 2.046 525 L HA -0.195 4.143 4.340 -0.004 0.000 0.208 525 L C 2.776 179.366 176.870 -0.466 0.000 1.077 525 L CA 1.207 55.607 54.840 -0.734 0.000 0.747 525 L CB -0.516 40.603 42.059 -1.567 0.000 0.896 525 L HN 0.337 nan 8.230 nan 0.000 0.432 526 Q N 0.486 120.132 119.800 -0.257 0.000 2.096 526 Q HA -0.189 4.148 4.340 -0.004 0.000 0.204 526 Q C 2.184 178.229 176.000 0.075 0.000 0.982 526 Q CA 2.177 58.070 55.803 0.150 0.000 0.850 526 Q CB -0.268 28.612 28.738 0.237 0.000 0.901 526 Q HN 0.429 nan 8.270 nan 0.000 0.422 527 A N 0.189 123.015 122.820 0.011 0.000 1.883 527 A HA -0.170 4.148 4.320 -0.004 0.000 0.217 527 A C 2.176 179.764 177.584 0.007 0.000 1.186 527 A CA 1.639 53.696 52.037 0.032 0.000 0.624 527 A CB -0.846 18.188 19.000 0.056 0.000 0.822 527 A HN 0.479 nan 8.150 nan 0.000 0.444 528 I N -0.779 119.759 120.570 -0.052 0.000 2.127 528 I HA -0.296 3.872 4.170 -0.004 0.000 0.241 528 I C 2.576 178.700 176.117 0.012 0.000 1.075 528 I CA 1.961 63.236 61.300 -0.042 0.000 1.334 528 I CB -0.383 37.557 38.000 -0.100 0.000 1.040 528 I HN 0.503 nan 8.210 nan 0.000 0.405 529 E N 0.809 121.038 120.200 0.048 0.000 2.118 529 E HA -0.265 4.082 4.350 -0.004 0.000 0.195 529 E C 1.190 177.846 176.600 0.093 0.000 0.992 529 E CA 1.526 57.998 56.400 0.119 0.000 0.804 529 E CB 0.086 29.939 29.700 0.255 0.000 0.741 529 E HN 0.409 nan 8.360 nan 0.000 0.458 530 D N -0.139 120.309 120.400 0.081 0.000 2.349 530 D HA 0.013 4.650 4.640 -0.004 0.000 0.224 530 D C 0.273 176.599 176.300 0.043 0.000 1.029 530 D CA 0.250 54.288 54.000 0.062 0.000 0.879 530 D CB 0.174 41.010 40.800 0.060 0.000 0.906 530 D HN 0.236 nan 8.370 nan 0.000 0.528 531 L N -0.071 121.175 121.223 0.038 0.000 3.597 531 L HA -0.196 4.141 4.340 -0.004 0.000 0.440 531 L C 0.079 176.964 176.870 0.026 0.000 1.277 531 L CA -0.022 54.834 54.840 0.027 0.000 0.852 531 L CB -2.186 39.889 42.059 0.026 0.000 1.708 531 L HN -0.014 nan 8.230 nan 0.000 0.885 532 V N -2.948 116.983 119.914 0.029 0.000 2.630 532 V HA 0.662 4.779 4.120 -0.004 0.000 0.305 532 V C 1.014 177.129 176.094 0.035 0.000 1.046 532 V CA -0.383 61.937 62.300 0.032 0.000 0.934 532 V CB 1.950 33.798 31.823 0.041 0.000 1.003 532 V HN 0.255 nan 8.190 nan 0.000 0.451 533 S N 5.296 121.017 115.700 0.034 0.000 2.575 533 S HA 0.156 4.624 4.470 -0.004 0.000 0.295 533 S C 0.169 174.801 174.600 0.054 0.000 1.267 533 S CA 0.011 58.232 58.200 0.035 0.000 1.074 533 S CB -0.054 63.164 63.200 0.031 0.000 0.829 533 S HN 1.005 nan 8.310 nan 0.000 0.497 534 M N 5.789 125.419 119.600 0.049 0.000 2.336 534 M HA 0.068 4.546 4.480 -0.004 0.000 0.371 534 M C -2.457 173.908 176.300 0.108 0.000 1.542 534 M CA -1.215 54.131 55.300 0.077 0.000 0.959 534 M CB -0.408 32.225 32.600 0.055 0.000 2.033 534 M HN 0.261 nan 8.290 nan 0.000 0.472 535 P HA 0.048 nan 4.420 nan 0.000 0.269 535 P C -0.006 177.278 177.300 -0.026 0.000 1.215 535 P CA -0.200 62.960 63.100 0.100 0.000 0.780 535 P CB 0.569 32.355 31.700 0.144 0.000 0.898 536 D N 1.242 121.593 120.400 -0.082 0.000 2.123 536 D HA -0.151 4.487 4.640 -0.004 0.000 0.196 536 D C 1.764 177.918 176.300 -0.245 0.000 0.992 536 D CA 1.198 55.134 54.000 -0.107 0.000 0.833 536 D CB -0.259 40.488 40.800 -0.087 0.000 0.954 536 D HN 0.364 nan 8.370 nan 0.000 0.455 537 I N 0.013 120.278 120.570 -0.508 0.000 2.381 537 I HA -0.320 3.847 4.170 -0.004 0.000 0.255 537 I C 1.659 177.290 176.117 -0.811 0.000 1.140 537 I CA 1.209 62.042 61.300 -0.778 0.000 1.404 537 I CB -0.027 37.164 38.000 -1.347 0.000 1.075 537 I HN -0.068 nan 8.210 nan 0.000 0.433 538 F N -0.827 118.875 119.950 -0.412 0.000 2.530 538 F HA 0.036 4.560 4.527 -0.005 0.000 0.292 538 F C 2.243 178.011 175.800 -0.053 0.000 1.109 538 F CA 0.314 58.075 58.000 -0.397 0.000 1.450 538 F CB -0.206 38.565 39.000 -0.381 0.000 1.114 538 F HN -0.078 nan 8.300 nan 0.000 0.560 539 M N -0.226 119.433 119.600 0.099 0.000 2.558 539 M HA -0.034 4.443 4.480 -0.004 0.000 0.255 539 M C 0.106 176.466 176.300 0.099 0.000 1.113 539 M CA 0.326 55.689 55.300 0.105 0.000 1.097 539 M CB -0.420 32.219 32.600 0.065 0.000 1.426 539 M HN -0.096 nan 8.290 nan 0.000 0.488 540 D N 0.782 121.231 120.400 0.081 0.000 2.488 540 D HA -0.055 4.582 4.640 -0.004 0.000 0.238 540 D C 0.871 177.251 176.300 0.134 0.000 1.138 540 D CA 0.735 54.797 54.000 0.104 0.000 0.873 540 D CB 1.076 41.914 40.800 0.064 0.000 1.183 540 D HN -0.007 nan 8.370 nan 0.000 0.458 541 T N 2.245 116.857 114.554 0.096 0.000 2.737 541 T HA -0.158 4.190 4.350 -0.004 0.000 0.269 541 T C 1.927 176.675 174.700 0.081 0.000 1.040 541 T CA 1.649 63.789 62.100 0.066 0.000 1.142 541 T CB -0.117 68.770 68.868 0.031 0.000 0.861 541 T HN 0.399 nan 8.240 nan 0.000 0.456 542 S N -0.112 115.651 115.700 0.106 0.000 2.400 542 S HA -0.097 4.370 4.470 -0.004 0.000 0.232 542 S C 1.617 176.327 174.600 0.184 0.000 1.025 542 S CA 0.918 59.183 58.200 0.109 0.000 0.993 542 S CB -0.385 62.859 63.200 0.073 0.000 0.808 542 S HN 0.673 nan 8.310 nan 0.000 0.478 543 Y N 1.563 121.932 120.300 0.114 0.000 2.395 543 Y HA 0.060 4.608 4.550 -0.004 0.000 0.293 543 Y C 2.281 178.236 175.900 0.093 0.000 1.123 543 Y CA 0.666 58.860 58.100 0.157 0.000 1.227 543 Y CB -0.285 38.246 38.460 0.118 0.000 1.012 543 Y HN 0.262 nan 8.280 nan 0.000 0.552 544 A N 0.386 123.220 122.820 0.023 0.000 1.898 544 A HA -0.134 4.183 4.320 -0.004 0.000 0.216 544 A C 2.101 179.620 177.584 -0.107 0.000 1.181 544 A CA 1.779 53.775 52.037 -0.068 0.000 0.620 544 A CB -0.890 18.107 19.000 -0.005 0.000 0.819 544 A HN 0.547 nan 8.150 nan 0.000 0.442 545 I N -0.259 120.274 120.570 -0.061 0.000 2.286 545 I HA -0.204 3.963 4.170 -0.004 0.000 0.245 545 I C 2.844 178.904 176.117 -0.096 0.000 1.104 545 I CA 0.969 62.233 61.300 -0.061 0.000 1.397 545 I CB -0.279 37.711 38.000 -0.016 0.000 1.072 545 I HN 0.321 nan 8.210 nan 0.000 0.417 546 A N 0.314 123.086 122.820 -0.080 0.000 2.067 546 A HA -0.109 4.208 4.320 -0.004 0.000 0.219 546 A C 2.074 179.425 177.584 -0.388 0.000 1.158 546 A CA 1.297 53.291 52.037 -0.072 0.000 0.661 546 A CB -0.218 18.893 19.000 0.185 0.000 0.801 546 A HN 0.313 nan 8.150 nan 0.000 0.452 547 M N -0.879 118.396 119.600 -0.542 0.000 2.371 547 M HA 0.147 4.625 4.480 -0.004 0.000 0.246 547 M C 0.348 176.176 176.300 -0.787 0.000 1.103 547 M CA 0.222 55.065 55.300 -0.762 0.000 1.010 547 M CB -0.591 31.648 32.600 -0.603 0.000 1.457 547 M HN 0.431 nan 8.290 nan 0.000 0.486 548 H N 0.613 119.303 119.070 -0.634 0.000 2.818 548 H HA 0.234 4.788 4.556 -0.005 0.000 0.269 548 H C -1.243 173.882 175.328 -0.338 0.000 1.277 548 H CA -0.384 55.443 56.048 -0.368 0.000 1.290 548 H CB 0.049 29.692 29.762 -0.199 0.000 1.479 548 H HN -0.057 nan 8.280 nan 0.000 0.507 549 F N 4.634 124.501 119.950 -0.139 0.000 2.515 549 F HA 0.126 4.650 4.527 -0.005 0.000 0.353 549 F C 1.678 177.449 175.800 -0.049 0.000 1.213 549 F CA -0.453 57.515 58.000 -0.054 0.000 1.194 549 F CB 0.042 39.015 39.000 -0.044 0.000 1.488 549 F HN 0.506 nan 8.300 nan 0.000 0.619 550 N N 2.385 121.185 118.700 0.166 0.000 2.443 550 N HA -0.082 4.655 4.740 -0.004 0.000 0.184 550 N C 0.093 175.717 175.510 0.190 0.000 1.037 550 N CA 0.898 54.037 53.050 0.148 0.000 0.896 550 N CB 0.439 38.986 38.487 0.100 0.000 0.959 550 N HN 0.378 nan 8.380 nan 0.000 0.442 551 L N 0.413 121.737 121.223 0.169 0.000 2.404 551 L HA 0.253 4.590 4.340 -0.004 0.000 0.272 551 L C -0.557 176.424 176.870 0.184 0.000 0.980 551 L CA -0.374 54.569 54.840 0.173 0.000 0.836 551 L CB 2.203 44.294 42.059 0.053 0.000 1.238 551 L HN -0.213 nan 8.230 nan 0.000 0.408 552 S N 2.149 117.973 115.700 0.207 0.000 2.498 552 S HA 0.777 5.245 4.470 -0.004 0.000 0.317 552 S C -0.335 174.455 174.600 0.317 0.000 1.090 552 S CA -0.337 57.947 58.200 0.140 0.000 1.089 552 S CB 1.089 64.328 63.200 0.064 0.000 0.997 552 S HN 0.699 nan 8.310 nan 0.000 0.470 553 T N 0.903 115.640 114.554 0.304 0.000 2.883 553 T HA 0.870 5.217 4.350 -0.004 0.000 0.296 553 T C -0.810 174.090 174.700 0.334 0.000 1.117 553 T CA -0.672 61.669 62.100 0.401 0.000 1.006 553 T CB 1.554 70.640 68.868 0.365 0.000 1.191 553 T HN 1.026 nan 8.240 nan 0.000 0.508 554 S N 0.430 116.299 115.700 0.282 0.000 2.542 554 S HA 0.475 4.943 4.470 -0.004 0.000 0.276 554 S C -1.219 173.214 174.600 -0.279 0.000 1.148 554 S CA -0.977 57.277 58.200 0.091 0.000 0.886 554 S CB 1.704 65.008 63.200 0.173 0.000 1.109 554 S HN 1.175 nan 8.310 nan 0.000 0.458 555 Q N 1.167 120.732 119.800 -0.392 0.000 2.214 555 Q HA 0.715 5.053 4.340 -0.004 0.000 0.251 555 Q C -1.539 174.291 176.000 -0.284 0.000 0.936 555 Q CA -0.886 54.493 55.803 -0.706 0.000 0.894 555 Q CB 1.597 30.115 28.738 -0.366 0.000 1.252 555 Q HN 0.680 nan 8.270 nan 0.000 0.448 556 V N 5.763 125.527 119.914 -0.251 0.000 2.327 556 V HA 0.299 4.416 4.120 -0.004 0.000 0.272 556 V C -2.151 173.898 176.094 -0.074 0.000 1.019 556 V CA -1.261 60.975 62.300 -0.107 0.000 0.814 556 V CB 1.414 33.188 31.823 -0.083 0.000 1.040 556 V HN 0.779 nan 8.190 nan 0.000 0.440 557 P HA 0.248 nan 4.420 nan 0.000 0.225 557 P C 0.020 177.320 177.300 -0.001 0.000 1.768 557 P CA 0.183 63.279 63.100 -0.008 0.000 0.943 557 P CB 0.513 32.220 31.700 0.012 0.000 1.936 558 A N 1.844 124.658 122.820 -0.010 0.000 2.304 558 A HA 0.320 4.637 4.320 -0.004 0.000 0.301 558 A C 1.309 178.897 177.584 0.006 0.000 1.132 558 A CA -0.566 51.471 52.037 -0.001 0.000 0.819 558 A CB 0.813 19.809 19.000 -0.007 0.000 1.094 558 A HN 0.112 nan 8.150 nan 0.000 0.492 559 K N 0.318 120.727 120.400 0.014 0.000 2.228 559 K HA -0.003 4.315 4.320 -0.004 0.000 0.202 559 K C 0.131 176.744 176.600 0.023 0.000 1.051 559 K CA 0.922 57.221 56.287 0.019 0.000 0.960 559 K CB -0.108 32.407 32.500 0.024 0.000 0.743 559 K HN 0.740 nan 8.250 nan 0.000 0.458 560 T N 1.840 116.407 114.554 0.022 0.000 2.884 560 T HA -0.015 4.332 4.350 -0.004 0.000 0.298 560 T C -0.066 174.658 174.700 0.040 0.000 0.998 560 T CA -0.214 61.905 62.100 0.032 0.000 1.124 560 T CB 0.990 69.876 68.868 0.030 0.000 0.931 560 T HN 0.037 nan 8.240 nan 0.000 0.531 561 D N 2.429 122.865 120.400 0.061 0.000 2.600 561 D HA 0.168 4.806 4.640 -0.004 0.000 0.226 561 D C 0.346 176.696 176.300 0.083 0.000 1.119 561 D CA -0.495 53.560 54.000 0.091 0.000 1.051 561 D CB -0.862 40.021 40.800 0.138 0.000 1.106 561 D HN 0.627 nan 8.370 nan 0.000 0.491 562 C N 0.098 119.432 119.300 0.056 0.000 2.871 562 C HA 0.919 5.376 4.460 -0.004 0.000 0.351 562 C C -0.196 174.816 174.990 0.036 0.000 1.338 562 C CA -0.901 58.148 59.018 0.051 0.000 1.686 562 C CB 1.274 29.033 27.740 0.032 0.000 2.135 562 C HN 0.237 nan 8.230 nan 0.000 0.476 563 V N 0.024 119.954 119.914 0.027 0.000 3.120 563 V HA 0.854 4.971 4.120 -0.004 0.000 0.303 563 V C -0.074 175.943 176.094 -0.130 0.000 1.238 563 V CA 0.783 63.088 62.300 0.009 0.000 1.008 563 V CB 1.949 33.837 31.823 0.108 0.000 1.064 563 V HN 1.683 nan 8.190 nan 0.000 0.434 564 G N 3.140 111.831 108.800 -0.181 0.000 2.537 564 G HA2 0.906 4.864 3.960 -0.004 0.000 0.323 564 G HA3 0.906 4.864 3.960 -0.004 0.000 0.323 564 G C -1.406 173.264 174.900 -0.383 0.000 1.207 564 G CA -0.532 44.303 45.100 -0.441 0.000 0.976 564 G HN 1.317 nan 8.290 nan 0.000 0.487 565 F N -1.778 118.104 119.950 -0.114 0.000 2.719 565 F HA 0.792 5.317 4.527 -0.004 0.000 0.309 565 F C -1.246 174.426 175.800 -0.214 0.000 1.138 565 F CA -2.071 55.731 58.000 -0.330 0.000 0.943 565 F CB 1.383 40.261 39.000 -0.204 0.000 1.304 565 F HN 0.701 nan 8.300 nan 0.000 0.445 566 F N -1.373 118.710 119.950 0.222 0.000 2.770 566 F HA 0.809 5.333 4.527 -0.005 0.000 0.313 566 F C -0.288 175.561 175.800 0.083 0.000 1.154 566 F CA -1.840 56.233 58.000 0.122 0.000 0.923 566 F CB 0.589 39.633 39.000 0.074 0.000 1.301 566 F HN 0.860 nan 8.300 nan 0.000 0.449 567 G N 0.523 109.530 108.800 0.345 0.000 2.569 567 G HA2 0.557 4.514 3.960 -0.004 0.000 0.249 567 G HA3 0.557 4.514 3.960 -0.004 0.000 0.249 567 G C -3.013 172.069 174.900 0.302 0.000 1.216 567 G CA -1.670 43.552 45.100 0.202 0.000 0.845 567 G HN 0.505 nan 8.290 nan 0.000 0.568 568 P HA 0.076 nan 4.420 nan 0.000 0.268 568 P C 1.158 178.660 177.300 0.337 0.000 1.205 568 P CA -0.328 62.865 63.100 0.156 0.000 0.771 568 P CB 1.136 32.793 31.700 -0.071 0.000 0.858 569 V N 1.584 121.613 119.914 0.191 0.000 3.510 569 V HA 0.059 4.176 4.120 -0.004 0.000 0.270 569 V C 0.530 176.655 176.094 0.051 0.000 1.201 569 V CA 0.663 63.022 62.300 0.098 0.000 1.166 569 V CB -0.956 30.835 31.823 -0.053 0.000 0.825 569 V HN 0.331 nan 8.190 nan 0.000 0.484 570 V N -6.107 113.864 119.914 0.095 0.000 2.971 570 V HA 0.623 4.741 4.120 -0.004 0.000 0.309 570 V C -1.926 174.268 176.094 0.167 0.000 1.130 570 V CA -1.840 60.455 62.300 -0.007 0.000 0.964 570 V CB 1.343 32.957 31.823 -0.349 0.000 1.029 570 V HN 0.006 nan 8.190 nan 0.000 0.427 571 P HA -0.180 nan 4.420 nan 0.000 0.217 571 P C 0.455 177.868 177.300 0.188 0.000 1.158 571 P CA 2.162 65.329 63.100 0.112 0.000 0.887 571 P CB -0.031 31.685 31.700 0.028 0.000 0.792 572 D N -1.165 119.322 120.400 0.145 0.000 2.889 572 D HA 0.251 4.889 4.640 -0.004 0.000 0.243 572 D C 0.640 176.979 176.300 0.064 0.000 1.270 572 D CA -0.315 53.740 54.000 0.092 0.000 0.838 572 D CB -0.469 40.390 40.800 0.098 0.000 1.040 572 D HN 0.075 nan 8.370 nan 0.000 0.480 573 G N -0.785 108.041 108.800 0.045 0.000 2.818 573 G HA2 0.558 4.516 3.960 -0.004 0.000 0.286 573 G HA3 0.558 4.516 3.960 -0.004 0.000 0.286 573 G C -1.715 173.126 174.900 -0.099 0.000 1.364 573 G CA -0.853 44.276 45.100 0.049 0.000 0.938 573 G HN 0.073 nan 8.290 nan 0.000 0.490 574 Y N -1.146 119.210 120.300 0.094 0.000 2.524 574 Y HA 0.632 5.178 4.550 -0.006 0.000 0.344 574 Y C 0.700 176.663 175.900 0.105 0.000 1.012 574 Y CA -0.596 57.544 58.100 0.067 0.000 1.068 574 Y CB 2.707 41.228 38.460 0.102 0.000 1.249 574 Y HN 0.701 nan 8.280 nan 0.000 0.468 575 G N 2.624 111.569 108.800 0.240 0.000 2.502 575 G HA2 0.669 4.626 3.960 -0.004 0.000 0.311 575 G HA3 0.669 4.626 3.960 -0.004 0.000 0.311 575 G C -1.299 173.632 174.900 0.052 0.000 1.270 575 G CA -0.480 44.773 45.100 0.255 0.000 0.948 575 G HN 0.529 nan 8.290 nan 0.000 0.487 576 I N 1.651 122.302 120.570 0.135 0.000 2.447 576 I HA 0.371 4.538 4.170 -0.004 0.000 0.287 576 I C -0.646 175.572 176.117 0.169 0.000 1.023 576 I CA -0.707 60.674 61.300 0.134 0.000 1.083 576 I CB 2.256 40.392 38.000 0.227 0.000 1.245 576 I HN 0.432 nan 8.210 nan 0.000 0.434 577 C N 7.457 126.803 119.300 0.077 0.000 2.547 577 C HA 0.813 5.270 4.460 -0.004 0.000 0.313 577 C C -1.144 173.932 174.990 0.143 0.000 1.191 577 C CA -0.447 58.593 59.018 0.038 0.000 1.474 577 C CB 1.051 28.688 27.740 -0.172 0.000 2.081 577 C HN 0.737 nan 8.230 nan 0.000 0.476 578 Y N 3.026 123.332 120.300 0.011 0.000 2.562 578 Y HA 0.656 5.204 4.550 -0.004 0.000 0.345 578 Y C -0.825 174.975 175.900 -0.168 0.000 1.045 578 Y CA -1.153 56.827 58.100 -0.200 0.000 1.028 578 Y CB 0.991 39.145 38.460 -0.511 0.000 1.297 578 Y HN 0.554 nan 8.280 nan 0.000 0.463 579 N N 2.699 121.348 118.700 -0.086 0.000 2.524 579 N HA 0.490 5.227 4.740 -0.004 0.000 0.261 579 N C -3.398 172.068 175.510 -0.073 0.000 0.998 579 N CA -2.416 50.593 53.050 -0.068 0.000 0.915 579 N CB 2.028 40.481 38.487 -0.058 0.000 1.187 579 N HN 0.417 nan 8.380 nan 0.000 0.507 580 P HA 0.287 nan 4.420 nan 0.000 0.282 580 P C -0.204 177.046 177.300 -0.084 0.000 1.262 580 P CA -0.305 62.772 63.100 -0.038 0.000 0.773 580 P CB 0.754 32.486 31.700 0.054 0.000 0.879 581 M N 1.724 121.205 119.600 -0.198 0.000 2.823 581 M HA 0.292 4.769 4.480 -0.004 0.000 0.282 581 M C 1.610 177.839 176.300 -0.120 0.000 1.177 581 M CA -0.885 54.275 55.300 -0.233 0.000 0.871 581 M CB 0.404 32.652 32.600 -0.587 0.000 1.595 581 M HN 0.222 nan 8.290 nan 0.000 0.524 582 E N 1.307 121.479 120.200 -0.048 0.000 2.051 582 E HA -0.005 4.343 4.350 -0.004 0.000 0.192 582 E C 1.118 177.773 176.600 0.091 0.000 0.991 582 E CA 2.064 58.484 56.400 0.034 0.000 0.799 582 E CB 0.108 29.840 29.700 0.052 0.000 0.748 582 E HN 0.691 nan 8.360 nan 0.000 0.449 583 A N -0.242 122.657 122.820 0.133 0.000 2.538 583 A HA 0.222 4.539 4.320 -0.004 0.000 0.269 583 A C -0.083 177.667 177.584 0.277 0.000 1.231 583 A CA 0.015 52.179 52.037 0.212 0.000 0.948 583 A CB -0.252 18.863 19.000 0.193 0.000 1.110 583 A HN 0.473 nan 8.150 nan 0.000 0.529 584 H N -2.351 116.789 119.070 0.118 0.000 2.932 584 H HA 0.651 5.204 4.556 -0.005 0.000 0.307 584 H C -2.007 173.396 175.328 0.124 0.000 1.391 584 H CA -1.244 54.864 56.048 0.100 0.000 1.130 584 H CB 0.594 30.389 29.762 0.054 0.000 1.836 584 H HN 0.012 nan 8.280 nan 0.000 0.522 585 I N 1.255 121.918 120.570 0.156 0.000 2.569 585 I HA 0.236 4.404 4.170 -0.004 0.000 0.290 585 I C -0.782 175.342 176.117 0.012 0.000 1.088 585 I CA -0.593 60.677 61.300 -0.051 0.000 1.047 585 I CB 2.194 40.106 38.000 -0.147 0.000 1.237 585 I HN 0.442 nan 8.210 nan 0.000 0.421 586 N N 5.508 124.155 118.700 -0.088 0.000 2.419 586 N HA 0.534 5.271 4.740 -0.004 0.000 0.264 586 N C -1.392 174.061 175.510 -0.095 0.000 1.031 586 N CA -0.340 52.728 53.050 0.031 0.000 0.951 586 N CB 1.047 39.578 38.487 0.074 0.000 1.101 586 N HN 0.272 nan 8.380 nan 0.000 0.488 587 F N 0.692 120.734 119.950 0.153 0.000 2.522 587 F HA 0.463 4.988 4.527 -0.003 0.000 0.324 587 F C 0.404 176.269 175.800 0.108 0.000 1.077 587 F CA -0.812 57.270 58.000 0.137 0.000 0.944 587 F CB 1.830 40.882 39.000 0.087 0.000 1.175 587 F HN 0.283 nan 8.300 nan 0.000 0.468 588 S N 1.440 117.334 115.700 0.324 0.000 2.532 588 S HA 0.878 5.345 4.470 -0.004 0.000 0.299 588 S C -1.501 173.170 174.600 0.118 0.000 1.105 588 S CA -0.688 57.618 58.200 0.176 0.000 1.018 588 S CB 1.474 64.790 63.200 0.193 0.000 1.021 588 S HN 0.366 nan 8.310 nan 0.000 0.483 589 V N 2.942 122.895 119.914 0.065 0.000 2.531 589 V HA 0.793 4.911 4.120 -0.004 0.000 0.301 589 V C -0.153 175.963 176.094 0.037 0.000 1.034 589 V CA -0.513 61.827 62.300 0.066 0.000 0.865 589 V CB 1.530 33.398 31.823 0.075 0.000 0.995 589 V HN 1.133 nan 8.190 nan 0.000 0.424 590 S N 3.311 119.032 115.700 0.034 0.000 2.542 590 S HA 1.005 5.472 4.470 -0.004 0.000 0.293 590 S C -0.521 174.022 174.600 -0.094 0.000 1.089 590 S CA -0.170 57.996 58.200 -0.055 0.000 0.961 590 S CB 2.481 65.607 63.200 -0.124 0.000 1.062 590 S HN 1.595 nan 8.310 nan 0.000 0.483 591 A N 1.057 123.729 122.820 -0.246 0.000 2.588 591 A HA 0.771 5.088 4.320 -0.004 0.000 0.290 591 A C -2.214 175.123 177.584 -0.411 0.000 1.136 591 A CA -0.848 50.943 52.037 -0.410 0.000 0.681 591 A CB 0.725 19.499 19.000 -0.376 0.000 1.282 591 A HN 0.779 nan 8.150 nan 0.000 0.421 592 Y N 1.050 121.303 120.300 -0.078 0.000 2.377 592 Y HA 0.331 4.878 4.550 -0.006 0.000 0.339 592 Y C 1.275 177.153 175.900 -0.037 0.000 1.011 592 Y CA -1.083 57.000 58.100 -0.028 0.000 1.093 592 Y CB 1.450 39.913 38.460 0.006 0.000 1.201 592 Y HN 0.697 nan 8.280 nan 0.000 0.455 593 N N 0.443 119.228 118.700 0.143 0.000 2.381 593 N HA -0.133 4.605 4.740 -0.004 0.000 0.182 593 N C 1.488 177.036 175.510 0.063 0.000 1.025 593 N CA 1.275 54.368 53.050 0.072 0.000 0.888 593 N CB -0.115 38.403 38.487 0.052 0.000 0.965 593 N HN 0.649 nan 8.380 nan 0.000 0.438 594 S N -0.880 114.867 115.700 0.078 0.000 2.507 594 S HA -0.034 4.433 4.470 -0.004 0.000 0.235 594 S C 1.192 175.815 174.600 0.037 0.000 0.988 594 S CA -0.085 58.138 58.200 0.038 0.000 0.944 594 S CB -0.439 62.764 63.200 0.005 0.000 0.762 594 S HN 0.359 nan 8.310 nan 0.000 0.526 595 C N 2.131 121.465 119.300 0.056 0.000 2.291 595 C HA 0.819 5.276 4.460 -0.004 0.000 0.322 595 C C 1.541 176.551 174.990 0.033 0.000 1.205 595 C CA -0.592 58.452 59.018 0.042 0.000 1.495 595 C CB -0.278 27.492 27.740 0.050 0.000 2.127 595 C HN 0.511 nan 8.230 nan 0.000 0.452 596 A N 3.564 126.403 122.820 0.032 0.000 2.067 596 A HA -0.055 4.262 4.320 -0.004 0.000 0.219 596 A C 1.719 179.331 177.584 0.047 0.000 1.158 596 A CA 1.529 53.584 52.037 0.032 0.000 0.661 596 A CB -0.192 18.822 19.000 0.024 0.000 0.801 596 A HN 0.897 nan 8.150 nan 0.000 0.452 597 E N -0.065 120.176 120.200 0.068 0.000 2.427 597 E HA 0.023 4.371 4.350 -0.004 0.000 0.196 597 E C 0.673 177.393 176.600 0.201 0.000 1.028 597 E CA 0.943 57.424 56.400 0.135 0.000 0.864 597 E CB -0.021 29.773 29.700 0.158 0.000 0.813 597 E HN 0.666 nan 8.360 nan 0.000 0.514 598 T N -1.108 113.499 114.554 0.088 0.000 2.807 598 T HA 0.450 4.797 4.350 -0.004 0.000 0.279 598 T C -0.575 174.135 174.700 0.017 0.000 0.993 598 T CA -1.040 61.079 62.100 0.032 0.000 0.970 598 T CB 1.376 70.002 68.868 -0.403 0.000 0.950 598 T HN -0.066 nan 8.240 nan 0.000 0.441 599 N N 1.836 120.636 118.700 0.167 0.000 2.430 599 N HA 0.396 5.134 4.740 -0.004 0.000 0.290 599 N C 1.043 176.707 175.510 0.257 0.000 1.063 599 N CA -0.299 52.834 53.050 0.138 0.000 0.883 599 N CB 2.145 40.682 38.487 0.084 0.000 1.465 599 N HN 0.754 nan 8.380 nan 0.000 0.493 600 A N 3.950 126.882 122.820 0.185 0.000 1.859 600 A HA -0.138 4.179 4.320 -0.004 0.000 0.217 600 A C 2.102 179.769 177.584 0.139 0.000 1.198 600 A CA 2.378 54.533 52.037 0.197 0.000 0.629 600 A CB -1.023 18.030 19.000 0.089 0.000 0.830 600 A HN 0.801 nan 8.150 nan 0.000 0.446 601 A N -0.542 122.336 122.820 0.095 0.000 1.859 601 A HA -0.257 4.061 4.320 -0.004 0.000 0.217 601 A C 2.285 179.941 177.584 0.121 0.000 1.198 601 A CA 2.189 54.278 52.037 0.087 0.000 0.629 601 A CB -0.685 18.349 19.000 0.055 0.000 0.830 601 A HN 0.572 nan 8.150 nan 0.000 0.446 602 R N -1.466 119.098 120.500 0.107 0.000 2.096 602 R HA -0.234 4.104 4.340 -0.004 0.000 0.240 602 R C 2.206 178.584 176.300 0.130 0.000 1.139 602 R CA 2.255 58.431 56.100 0.126 0.000 0.952 602 R CB -0.348 29.959 30.300 0.012 0.000 0.854 602 R HN 0.522 nan 8.270 nan 0.000 0.436 603 M N 0.128 119.751 119.600 0.038 0.000 2.117 603 M HA -0.072 4.406 4.480 -0.004 0.000 0.262 603 M C 2.013 178.296 176.300 -0.029 0.000 1.065 603 M CA 2.068 57.315 55.300 -0.089 0.000 1.114 603 M CB -0.199 32.217 32.600 -0.308 0.000 1.361 603 M HN 0.239 nan 8.290 nan 0.000 0.408 604 A N -1.473 121.356 122.820 0.015 0.000 1.930 604 A HA -0.215 4.102 4.320 -0.004 0.000 0.217 604 A C 2.059 179.662 177.584 0.031 0.000 1.175 604 A CA 2.107 54.131 52.037 -0.022 0.000 0.627 604 A CB -1.238 17.778 19.000 0.028 0.000 0.815 604 A HN 0.754 nan 8.150 nan 0.000 0.443 605 H N -2.029 117.072 119.070 0.051 0.000 2.321 605 H HA -0.159 4.394 4.556 -0.004 0.000 0.300 605 H C 1.751 177.114 175.328 0.057 0.000 1.087 605 H CA 2.215 58.305 56.048 0.069 0.000 1.319 605 H CB -0.304 29.526 29.762 0.112 0.000 1.379 605 H HN 0.499 nan 8.280 nan 0.000 0.501 606 Y N -0.429 119.811 120.300 -0.100 0.000 2.163 606 Y HA -0.134 4.413 4.550 -0.006 0.000 0.288 606 Y C 2.473 178.252 175.900 -0.202 0.000 1.136 606 Y CA 1.122 59.125 58.100 -0.162 0.000 1.147 606 Y CB -0.780 37.620 38.460 -0.101 0.000 0.987 606 Y HN 0.270 nan 8.280 nan 0.000 0.509 607 L N 0.711 121.895 121.223 -0.065 0.000 2.043 607 L HA -0.248 4.090 4.340 -0.004 0.000 0.212 607 L C 2.269 178.964 176.870 -0.291 0.000 1.075 607 L CA 2.146 56.848 54.840 -0.230 0.000 0.752 607 L CB -0.885 40.931 42.059 -0.405 0.000 0.891 607 L HN 0.373 nan 8.230 nan 0.000 0.432 608 E N -0.771 119.287 120.200 -0.236 0.000 2.047 608 E HA -0.307 4.040 4.350 -0.004 0.000 0.191 608 E C 2.193 178.744 176.600 -0.083 0.000 0.987 608 E CA 1.287 57.622 56.400 -0.109 0.000 0.799 608 E CB -0.070 29.646 29.700 0.027 0.000 0.752 608 E HN 0.350 nan 8.360 nan 0.000 0.449 609 K N 0.481 120.759 120.400 -0.203 0.000 2.097 609 K HA -0.077 4.241 4.320 -0.004 0.000 0.206 609 K C 1.755 178.283 176.600 -0.119 0.000 1.049 609 K CA 1.312 57.474 56.287 -0.208 0.000 0.933 609 K CB -0.352 31.932 32.500 -0.361 0.000 0.717 609 K HN 0.226 nan 8.250 nan 0.000 0.442 610 A N 0.429 123.180 122.820 -0.116 0.000 1.873 610 A HA -0.097 4.221 4.320 -0.004 0.000 0.215 610 A C 2.143 179.723 177.584 -0.007 0.000 1.186 610 A CA 1.450 53.449 52.037 -0.063 0.000 0.616 610 A CB -0.679 18.280 19.000 -0.069 0.000 0.823 610 A HN 0.292 nan 8.150 nan 0.000 0.442 611 L N -0.606 120.605 121.223 -0.020 0.000 2.042 611 L HA -0.202 4.135 4.340 -0.004 0.000 0.210 611 L C 2.569 179.696 176.870 0.429 0.000 1.076 611 L CA 1.170 56.120 54.840 0.183 0.000 0.749 611 L CB -0.496 41.441 42.059 -0.204 0.000 0.893 611 L HN 0.380 nan 8.230 nan 0.000 0.432 612 L N -0.803 120.578 121.223 0.263 0.000 2.072 612 L HA -0.183 4.154 4.340 -0.004 0.000 0.205 612 L C 2.188 179.127 176.870 0.114 0.000 1.079 612 L CA 0.935 55.896 54.840 0.202 0.000 0.752 612 L CB -0.619 41.431 42.059 -0.014 0.000 0.906 612 L HN 0.265 nan 8.230 nan 0.000 0.436 613 D N -0.157 120.284 120.400 0.068 0.000 2.178 613 D HA -0.169 4.468 4.640 -0.004 0.000 0.201 613 D C 2.291 178.662 176.300 0.119 0.000 0.980 613 D CA 1.259 55.294 54.000 0.058 0.000 0.842 613 D CB -0.055 40.755 40.800 0.018 0.000 0.948 613 D HN 0.339 nan 8.370 nan 0.000 0.472 614 M N -0.064 119.637 119.600 0.168 0.000 2.132 614 M HA -0.097 4.381 4.480 -0.004 0.000 0.263 614 M C 2.345 178.825 176.300 0.301 0.000 1.065 614 M CA 1.011 56.444 55.300 0.221 0.000 1.122 614 M CB -0.034 32.618 32.600 0.087 0.000 1.365 614 M HN -0.106 nan 8.290 nan 0.000 0.411 615 R N 0.010 120.651 120.500 0.235 0.000 2.062 615 R HA -0.124 4.213 4.340 -0.004 0.000 0.231 615 R C 2.008 178.295 176.300 -0.023 0.000 1.136 615 R CA 2.138 58.163 56.100 -0.124 0.000 0.948 615 R CB -0.402 29.462 30.300 -0.727 0.000 0.845 615 R HN 0.235 nan 8.270 nan 0.000 0.430 616 T N 1.974 116.528 114.554 0.001 0.000 2.665 616 T HA -0.210 4.138 4.350 -0.004 0.000 0.268 616 T C 1.680 176.449 174.700 0.115 0.000 1.035 616 T CA 1.592 63.712 62.100 0.034 0.000 1.151 616 T CB -0.335 68.553 68.868 0.032 0.000 0.862 616 T HN 0.178 nan 8.240 nan 0.000 0.438 617 L N 0.626 121.946 121.223 0.161 0.000 2.046 617 L HA 0.038 4.376 4.340 -0.004 0.000 0.208 617 L C 2.217 179.259 176.870 0.285 0.000 1.077 617 L CA 1.541 56.520 54.840 0.233 0.000 0.747 617 L CB -0.695 41.477 42.059 0.187 0.000 0.896 617 L HN 0.258 nan 8.230 nan 0.000 0.432 618 L N -1.061 120.317 121.223 0.258 0.000 2.017 618 L HA -0.248 4.089 4.340 -0.004 0.000 0.208 618 L C 2.630 179.640 176.870 0.233 0.000 1.073 618 L CA 1.531 56.529 54.840 0.262 0.000 0.745 618 L CB -0.479 41.797 42.059 0.361 0.000 0.894 618 L HN 0.388 nan 8.230 nan 0.000 0.432 619 Q N -0.511 119.426 119.800 0.228 0.000 2.230 619 Q HA -0.145 4.193 4.340 -0.004 0.000 0.202 619 Q C 1.448 177.481 176.000 0.054 0.000 0.963 619 Q CA 1.072 56.965 55.803 0.150 0.000 0.866 619 Q CB -0.073 28.743 28.738 0.130 0.000 0.931 619 Q HN 0.587 nan 8.270 nan 0.000 0.452 620 N N -0.395 118.321 118.700 0.028 0.000 2.398 620 N HA -0.024 4.713 4.740 -0.004 0.000 0.188 620 N C -0.449 174.740 175.510 -0.535 0.000 1.122 620 N CA 0.077 53.006 53.050 -0.201 0.000 0.866 620 N CB 0.464 38.823 38.487 -0.213 0.000 0.970 620 N HN 0.191 nan 8.380 nan 0.000 0.462 621 H N -0.454 118.646 119.070 0.050 0.000 2.695 621 H HA 0.237 4.790 4.556 -0.004 0.000 0.222 621 H C -2.583 172.767 175.328 0.037 0.000 1.412 621 H CA -1.250 54.823 56.048 0.041 0.000 1.347 621 H CB 0.736 30.524 29.762 0.044 0.000 1.858 621 H HN 0.105 nan 8.280 nan 0.000 0.519 622 P HA 0.081 nan 4.420 nan 0.000 0.272 622 P C 1.353 178.684 177.300 0.050 0.000 1.254 622 P CA -0.477 62.657 63.100 0.056 0.000 0.795 622 P CB 1.673 33.390 31.700 0.028 0.000 1.022 623 R N 0.157 120.675 120.500 0.030 0.000 2.088 623 R HA 0.354 4.691 4.340 -0.004 0.000 0.195 623 R C 0.604 176.917 176.300 0.021 0.000 1.137 623 R CA 1.068 57.182 56.100 0.024 0.000 1.057 623 R CB -1.263 29.043 30.300 0.010 0.000 0.748 623 R HN 0.612 nan 8.270 nan 0.000 0.511 624 A N 0.010 122.837 122.820 0.012 0.000 2.567 624 A HA 0.678 4.996 4.320 -0.004 0.000 0.289 624 A C -1.191 176.397 177.584 0.006 0.000 1.177 624 A CA -0.528 51.516 52.037 0.010 0.000 0.694 624 A CB 1.757 20.763 19.000 0.010 0.000 1.292 624 A HN 0.140 nan 8.150 nan 0.000 0.425 625 K N 0.000 120.403 120.400 0.005 0.000 2.780 625 K HA 0.000 4.317 4.320 -0.004 0.000 0.191 625 K CA 0.000 56.289 56.287 0.003 0.000 0.838 625 K CB 0.000 32.502 32.500 0.003 0.000 1.064 625 K HN 0.000 nan 8.250 nan 0.000 0.543