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 2e0a_1_A DATA FIRST_RESID 20 DATA SEQUENCE VPREVEHFSR YSPSPLSMKQ LLDFGSXXXC ERTSFAFLRQ ELPVRLANIL DATA SEQUENCE KEIDILPTQL VNTSSVQLVK SWYIQSLMDL VEFHEKSPDD QKALSDFVDT DATA SEQUENCE LIKVRNRHHN VVPTMAQGII EYKDACTVDP VTNQNLQYFL DRFYMNRIST DATA SEQUENCE RMLMNQHILI FSDSQTGNPS HIGSIDPNCD VVAVVQDAFE CSRMLCDQYY DATA SEQUENCE LSSPELKLTQ VNGKFPDQPI HIVYVPSHLH HMLFELFKNA MRATVEHQEN DATA SEQUENCE QPSLTPIEVI VVLGKEDLTI KISDRGGGVP LRIIDRLFSY TYSTAPTPXX DATA SEQUENCE XXXXNAPLAG FGYGLPISRL YAKYFQGDLN LYSLSGYGTD AIIYLKALSS DATA SEQUENCE ESIEKLPVFN KSAFKHY 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 20 V HA 0.000 nan 4.120 nan 0.000 0.244 20 V C 0.000 176.103 176.094 0.015 0.000 1.182 20 V CA 0.000 62.299 62.300 -0.002 0.000 1.235 20 V CB 0.000 31.819 31.823 -0.007 0.000 1.184 21 P HA 0.314 nan 4.420 nan 0.000 0.266 21 P C 0.850 178.183 177.300 0.056 0.000 1.195 21 P CA -0.224 62.901 63.100 0.041 0.000 0.768 21 P CB 0.619 32.350 31.700 0.052 0.000 0.838 22 R N 1.475 122.004 120.500 0.048 0.000 2.117 22 R HA -0.208 4.132 4.340 -0.001 0.000 0.243 22 R C 1.629 177.993 176.300 0.108 0.000 1.143 22 R CA 1.485 57.617 56.100 0.053 0.000 0.968 22 R CB -0.284 30.028 30.300 0.020 0.000 0.863 22 R HN 0.538 nan 8.270 nan 0.000 0.444 23 E N 0.039 120.324 120.200 0.140 0.000 2.077 23 E HA -0.135 4.214 4.350 -0.001 0.000 0.193 23 E C 1.984 178.789 176.600 0.341 0.000 0.989 23 E CA 1.150 57.716 56.400 0.278 0.000 0.800 23 E CB -0.133 29.709 29.700 0.237 0.000 0.746 23 E HN 0.076 nan 8.360 nan 0.000 0.452 24 V N 0.746 120.780 119.914 0.201 0.000 2.307 24 V HA -0.231 3.889 4.120 -0.001 0.000 0.245 24 V C 2.270 178.455 176.094 0.151 0.000 1.045 24 V CA 1.873 64.274 62.300 0.168 0.000 1.024 24 V CB -0.424 31.456 31.823 0.095 0.000 0.651 24 V HN 0.187 nan 8.190 nan 0.000 0.449 25 E N 0.043 120.311 120.200 0.114 0.000 2.051 25 E HA -0.254 4.096 4.350 -0.001 0.000 0.192 25 E C 2.124 178.776 176.600 0.086 0.000 0.991 25 E CA 1.953 58.402 56.400 0.082 0.000 0.799 25 E CB -0.427 29.307 29.700 0.056 0.000 0.748 25 E HN 0.773 nan 8.360 nan 0.000 0.449 26 H N -0.955 118.110 119.070 -0.009 0.000 2.270 26 H HA -0.090 4.466 4.556 -0.001 0.000 0.299 26 H C 1.719 176.990 175.328 -0.095 0.000 1.077 26 H CA 2.270 58.246 56.048 -0.120 0.000 1.294 26 H CB -0.677 28.941 29.762 -0.240 0.000 1.371 26 H HN 0.241 nan 8.280 nan 0.000 0.491 27 F N 0.443 120.402 119.950 0.017 0.000 2.451 27 F HA -0.118 4.408 4.527 -0.001 0.000 0.299 27 F C 2.749 178.608 175.800 0.099 0.000 1.101 27 F CA 0.993 59.032 58.000 0.066 0.000 1.436 27 F CB -0.231 38.815 39.000 0.077 0.000 1.074 27 F HN 0.329 nan 8.300 nan 0.000 0.553 28 S N 0.088 115.901 115.700 0.188 0.000 2.481 28 S HA -0.090 4.379 4.470 -0.001 0.000 0.231 28 S C 1.888 176.547 174.600 0.098 0.000 0.996 28 S CA 0.299 58.594 58.200 0.159 0.000 0.942 28 S CB -0.386 62.899 63.200 0.141 0.000 0.768 28 S HN 0.384 nan 8.310 nan 0.000 0.520 29 R N -0.415 120.052 120.500 -0.055 0.000 2.189 29 R HA 0.122 4.461 4.340 -0.001 0.000 0.218 29 R C -0.110 176.048 176.300 -0.237 0.000 1.074 29 R CA 0.575 56.553 56.100 -0.203 0.000 0.991 29 R CB -0.166 29.892 30.300 -0.403 0.000 0.883 29 R HN 0.504 nan 8.270 nan 0.000 0.457 30 Y N 0.408 120.682 120.300 -0.043 0.000 2.316 30 Y HA 0.087 4.636 4.550 -0.001 0.000 0.324 30 Y C 0.922 176.843 175.900 0.035 0.000 1.267 30 Y CA -0.732 57.363 58.100 -0.009 0.000 1.311 30 Y CB 0.989 39.447 38.460 -0.004 0.000 1.267 30 Y HN -0.094 nan 8.280 nan 0.000 0.516 31 S N 1.328 117.157 115.700 0.215 0.000 2.525 31 S HA 0.578 5.048 4.470 -0.001 0.000 0.290 31 S C -2.856 171.828 174.600 0.141 0.000 1.152 31 S CA -1.759 56.530 58.200 0.148 0.000 1.072 31 S CB 1.331 64.597 63.200 0.110 0.000 1.027 31 S HN 0.296 nan 8.310 nan 0.000 0.500 32 P HA 0.202 nan 4.420 nan 0.000 0.268 32 P C -0.825 176.546 177.300 0.119 0.000 1.208 32 P CA -0.111 63.047 63.100 0.097 0.000 0.777 32 P CB 0.427 32.179 31.700 0.086 0.000 0.875 33 S N 3.588 119.379 115.700 0.152 0.000 2.520 33 S HA 0.372 4.842 4.470 -0.001 0.000 0.324 33 S C -2.332 172.420 174.600 0.253 0.000 1.069 33 S CA -1.126 57.200 58.200 0.210 0.000 1.121 33 S CB 0.608 63.985 63.200 0.296 0.000 0.971 33 S HN 0.373 nan 8.310 nan 0.000 0.463 34 P HA 0.285 nan 4.420 nan 0.000 0.275 34 P C -0.883 176.488 177.300 0.120 0.000 1.227 34 P CA -0.391 62.796 63.100 0.144 0.000 0.781 34 P CB 0.794 32.549 31.700 0.090 0.000 0.906 35 L N 1.584 122.880 121.223 0.121 0.000 2.322 35 L HA 0.436 4.776 4.340 -0.001 0.000 0.269 35 L C 1.124 178.040 176.870 0.076 0.000 1.012 35 L CA -0.801 54.073 54.840 0.057 0.000 0.815 35 L CB 1.834 43.933 42.059 0.065 0.000 1.295 35 L HN 0.458 nan 8.230 nan 0.000 0.438 36 S N 0.385 116.088 115.700 0.005 0.000 2.687 36 S HA 0.304 4.773 4.470 -0.001 0.000 0.283 36 S C 0.699 175.249 174.600 -0.083 0.000 1.170 36 S CA -0.709 57.483 58.200 -0.014 0.000 1.008 36 S CB 1.539 64.706 63.200 -0.055 0.000 1.026 36 S HN 0.765 nan 8.310 nan 0.000 0.541 37 M N 0.933 120.387 119.600 -0.244 0.000 2.213 37 M HA -0.055 4.424 4.480 -0.001 0.000 0.263 37 M C 2.161 178.331 176.300 -0.217 0.000 1.062 37 M CA 1.552 56.627 55.300 -0.375 0.000 1.105 37 M CB -0.302 31.902 32.600 -0.659 0.000 1.385 37 M HN 0.907 nan 8.290 nan 0.000 0.417 38 K N -0.198 120.097 120.400 -0.174 0.000 2.026 38 K HA -0.219 4.100 4.320 -0.001 0.000 0.208 38 K C 1.840 178.335 176.600 -0.176 0.000 1.048 38 K CA 1.826 58.026 56.287 -0.146 0.000 0.929 38 K CB -0.126 32.305 32.500 -0.115 0.000 0.713 38 K HN 0.498 nan 8.250 nan 0.000 0.439 39 Q N 0.445 120.123 119.800 -0.203 0.000 2.124 39 Q HA -0.134 4.206 4.340 -0.001 0.000 0.202 39 Q C 2.250 177.988 176.000 -0.436 0.000 0.977 39 Q CA 1.457 57.057 55.803 -0.339 0.000 0.850 39 Q CB -0.068 28.478 28.738 -0.320 0.000 0.901 39 Q HN 0.346 nan 8.270 nan 0.000 0.429 40 L N 0.233 121.353 121.223 -0.172 0.000 2.083 40 L HA -0.199 4.140 4.340 -0.001 0.000 0.209 40 L C 2.307 179.201 176.870 0.040 0.000 1.083 40 L CA 0.825 55.703 54.840 0.063 0.000 0.752 40 L CB -0.308 41.824 42.059 0.122 0.000 0.899 40 L HN 0.288 nan 8.230 nan 0.000 0.433 41 L N -0.408 120.773 121.223 -0.070 0.000 2.017 41 L HA -0.240 4.099 4.340 -0.001 0.000 0.208 41 L C 2.155 178.992 176.870 -0.056 0.000 1.073 41 L CA 1.255 56.060 54.840 -0.058 0.000 0.745 41 L CB -0.520 41.486 42.059 -0.087 0.000 0.894 41 L HN 0.318 nan 8.230 nan 0.000 0.432 42 D N -0.271 120.044 120.400 -0.141 0.000 2.265 42 D HA -0.207 4.432 4.640 -0.001 0.000 0.208 42 D C 1.996 178.253 176.300 -0.073 0.000 0.977 42 D CA 1.223 55.134 54.000 -0.148 0.000 0.871 42 D CB -0.226 40.434 40.800 -0.234 0.000 0.925 42 D HN 0.316 nan 8.370 nan 0.000 0.485 43 F N 0.540 120.505 119.950 0.025 0.000 2.333 43 F HA -0.044 4.482 4.527 -0.001 0.000 0.300 43 F C 2.442 178.283 175.800 0.068 0.000 1.083 43 F CA 0.716 58.778 58.000 0.103 0.000 1.395 43 F CB 0.114 39.204 39.000 0.151 0.000 1.056 43 F HN 0.026 nan 8.300 nan 0.000 0.529 44 G N -0.688 108.191 108.800 0.132 0.000 3.141 44 G HA2 0.033 3.992 3.960 -0.001 0.000 0.218 44 G HA3 0.033 3.992 3.960 -0.001 0.000 0.218 44 G C 0.589 175.489 174.900 -0.000 0.000 1.170 44 G CA 0.280 45.370 45.100 -0.016 0.000 0.769 44 G HN 0.290 nan 8.290 nan 0.000 0.546 50 E N 0.937 120.983 120.200 -0.256 0.000 2.106 50 E HA -0.169 4.180 4.350 -0.001 0.000 0.192 50 E C 2.183 178.571 176.600 -0.353 0.000 0.984 50 E CA 1.733 57.581 56.400 -0.920 0.000 0.806 50 E CB -0.053 29.064 29.700 -0.971 0.000 0.750 50 E HN 0.696 nan 8.360 nan 0.000 0.458 51 R N -0.298 120.115 120.500 -0.145 0.000 2.193 51 R HA -0.036 4.304 4.340 -0.001 0.000 0.229 51 R C 1.926 178.277 176.300 0.086 0.000 1.110 51 R CA 1.565 57.663 56.100 -0.004 0.000 0.988 51 R CB -0.491 29.806 30.300 -0.004 0.000 0.871 51 R HN 0.013 nan 8.270 nan 0.000 0.458 52 T N 0.504 115.107 114.554 0.081 0.000 2.851 52 T HA -0.102 4.247 4.350 -0.001 0.000 0.262 52 T C 1.928 176.729 174.700 0.167 0.000 1.043 52 T CA 1.493 63.687 62.100 0.157 0.000 1.140 52 T CB -0.128 68.882 68.868 0.237 0.000 0.872 52 T HN 0.348 nan 8.240 nan 0.000 0.446 53 S N 0.681 116.420 115.700 0.065 0.000 2.368 53 S HA -0.081 4.389 4.470 -0.001 0.000 0.224 53 S C 1.788 176.383 174.600 -0.007 0.000 1.029 53 S CA 0.914 59.024 58.200 -0.150 0.000 0.988 53 S CB -0.546 62.559 63.200 -0.158 0.000 0.838 53 S HN 0.454 nan 8.310 nan 0.000 0.462 54 F N 2.616 122.466 119.950 -0.166 0.000 2.095 54 F HA -0.014 4.513 4.527 -0.001 0.000 0.298 54 F C 2.284 177.811 175.800 -0.455 0.000 1.104 54 F CA 1.443 59.142 58.000 -0.502 0.000 1.232 54 F CB -1.104 37.596 39.000 -0.501 0.000 0.987 54 F HN 0.246 nan 8.300 nan 0.000 0.475 55 A N 0.004 122.616 122.820 -0.346 0.000 1.908 55 A HA -0.223 4.097 4.320 -0.001 0.000 0.218 55 A C 2.253 179.659 177.584 -0.298 0.000 1.181 55 A CA 1.794 53.597 52.037 -0.391 0.000 0.627 55 A CB -1.671 17.280 19.000 -0.082 0.000 0.818 55 A HN 0.596 nan 8.150 nan 0.000 0.445 56 F N 0.317 120.127 119.950 -0.234 0.000 2.098 56 F HA -0.062 4.464 4.527 -0.001 0.000 0.294 56 F C 1.993 177.679 175.800 -0.191 0.000 1.107 56 F CA 1.670 59.586 58.000 -0.140 0.000 1.234 56 F CB -0.170 38.840 39.000 0.016 0.000 1.002 56 F HN 0.122 nan 8.300 nan 0.000 0.472 57 L N 0.851 121.959 121.223 -0.191 0.000 2.083 57 L HA -0.220 4.120 4.340 -0.001 0.000 0.209 57 L C 2.602 179.306 176.870 -0.276 0.000 1.083 57 L CA 1.750 56.462 54.840 -0.214 0.000 0.752 57 L CB -0.871 41.195 42.059 0.011 0.000 0.899 57 L HN 0.240 nan 8.230 nan 0.000 0.433 58 R N 0.111 120.313 120.500 -0.497 0.000 2.241 58 R HA -0.219 4.120 4.340 -0.001 0.000 0.224 58 R C 2.030 178.125 176.300 -0.342 0.000 1.101 58 R CA 1.430 57.265 56.100 -0.442 0.000 0.995 58 R CB -0.257 29.516 30.300 -0.878 0.000 0.870 58 R HN 0.307 nan 8.270 nan 0.000 0.463 59 Q N 1.019 120.559 119.800 -0.433 0.000 2.287 59 Q HA -0.042 4.298 4.340 -0.001 0.000 0.201 59 Q C 1.806 177.587 176.000 -0.365 0.000 0.946 59 Q CA 1.289 56.889 55.803 -0.338 0.000 0.868 59 Q CB 0.156 28.680 28.738 -0.356 0.000 0.967 59 Q HN 0.333 nan 8.270 nan 0.000 0.516 60 E N 0.090 119.963 120.200 -0.545 0.000 2.106 60 E HA -0.083 4.267 4.350 -0.001 0.000 0.192 60 E C 1.775 178.197 176.600 -0.297 0.000 0.984 60 E CA 1.273 57.365 56.400 -0.513 0.000 0.806 60 E CB -0.285 28.846 29.700 -0.949 0.000 0.750 60 E HN 0.480 nan 8.360 nan 0.000 0.458 61 L N 0.312 121.376 121.223 -0.265 0.000 2.046 61 L HA -0.079 4.260 4.340 -0.001 0.000 0.208 61 L C -0.627 176.115 176.870 -0.214 0.000 1.077 61 L CA 1.236 55.960 54.840 -0.193 0.000 0.747 61 L CB -1.324 40.639 42.059 -0.160 0.000 0.896 61 L HN 0.181 nan 8.230 nan 0.000 0.432 62 P HA -0.121 nan 4.420 nan 0.000 0.217 62 P C 1.957 179.114 177.300 -0.239 0.000 1.150 62 P CA 1.046 63.907 63.100 -0.398 0.000 0.832 62 P CB 0.108 31.273 31.700 -0.891 0.000 0.787 63 V N -0.013 119.810 119.914 -0.151 0.000 2.295 63 V HA -0.252 3.868 4.120 -0.001 0.000 0.246 63 V C 2.446 178.552 176.094 0.021 0.000 1.049 63 V CA 1.855 64.182 62.300 0.045 0.000 1.024 63 V CB -0.914 30.930 31.823 0.036 0.000 0.648 63 V HN 0.088 nan 8.190 nan 0.000 0.447 64 R N -0.421 120.049 120.500 -0.049 0.000 2.075 64 R HA -0.072 4.268 4.340 -0.001 0.000 0.232 64 R C 2.298 178.545 176.300 -0.088 0.000 1.126 64 R CA 1.327 57.395 56.100 -0.053 0.000 0.963 64 R CB -0.438 29.814 30.300 -0.079 0.000 0.858 64 R HN 0.414 nan 8.270 nan 0.000 0.435 65 L N 0.187 121.326 121.223 -0.139 0.000 2.046 65 L HA -0.139 4.200 4.340 -0.001 0.000 0.208 65 L C 2.710 179.562 176.870 -0.030 0.000 1.077 65 L CA 1.230 55.965 54.840 -0.174 0.000 0.747 65 L CB -0.594 41.349 42.059 -0.194 0.000 0.896 65 L HN 0.240 nan 8.230 nan 0.000 0.432 66 A N -0.059 122.771 122.820 0.017 0.000 1.902 66 A HA -0.210 4.109 4.320 -0.001 0.000 0.217 66 A C 2.106 179.736 177.584 0.076 0.000 1.181 66 A CA 1.728 53.817 52.037 0.085 0.000 0.623 66 A CB -0.642 18.469 19.000 0.184 0.000 0.818 66 A HN 0.457 nan 8.150 nan 0.000 0.443 67 N N -0.551 118.201 118.700 0.087 0.000 2.084 67 N HA -0.158 4.581 4.740 -0.001 0.000 0.190 67 N C 1.641 177.180 175.510 0.048 0.000 1.030 67 N CA 1.746 54.864 53.050 0.114 0.000 0.849 67 N CB -0.224 38.349 38.487 0.142 0.000 1.012 67 N HN 0.442 nan 8.380 nan 0.000 0.423 68 I N 1.544 122.144 120.570 0.049 0.000 2.439 68 I HA -0.082 4.088 4.170 -0.001 0.000 0.251 68 I C 2.065 178.238 176.117 0.094 0.000 1.139 68 I CA 0.657 62.010 61.300 0.089 0.000 1.438 68 I CB -0.159 37.906 38.000 0.109 0.000 1.085 68 I HN 0.075 nan 8.210 nan 0.000 0.427 69 L N -0.029 121.243 121.223 0.081 0.000 2.046 69 L HA -0.213 4.127 4.340 -0.001 0.000 0.208 69 L C 2.531 179.342 176.870 -0.099 0.000 1.077 69 L CA 1.228 56.099 54.840 0.052 0.000 0.747 69 L CB -0.686 41.420 42.059 0.078 0.000 0.896 69 L HN 0.116 nan 8.230 nan 0.000 0.432 70 K N -0.065 120.215 120.400 -0.200 0.000 2.057 70 K HA -0.242 4.077 4.320 -0.001 0.000 0.207 70 K C 1.987 178.141 176.600 -0.743 0.000 1.049 70 K CA 1.482 57.515 56.287 -0.423 0.000 0.931 70 K CB -0.082 32.141 32.500 -0.460 0.000 0.714 70 K HN 0.347 nan 8.250 nan 0.000 0.440 71 E N 0.950 120.687 120.200 -0.771 0.000 2.106 71 E HA -0.108 4.242 4.350 -0.001 0.000 0.192 71 E C 1.987 178.413 176.600 -0.289 0.000 0.984 71 E CA 0.625 56.681 56.400 -0.573 0.000 0.806 71 E CB -0.003 29.648 29.700 -0.082 0.000 0.750 71 E HN 0.204 nan 8.360 nan 0.000 0.458 72 I N 1.261 121.737 120.570 -0.156 0.000 2.335 72 I HA -0.221 3.948 4.170 -0.001 0.000 0.251 72 I C 0.932 176.851 176.117 -0.330 0.000 1.129 72 I CA 0.908 62.061 61.300 -0.245 0.000 1.402 72 I CB -0.104 37.834 38.000 -0.104 0.000 1.069 72 I HN 0.030 nan 8.210 nan 0.000 0.424 73 D N 0.505 120.743 120.400 -0.270 0.000 2.490 73 D HA 0.038 4.678 4.640 -0.001 0.000 0.255 73 D C 0.961 177.127 176.300 -0.223 0.000 1.248 73 D CA 0.569 54.432 54.000 -0.228 0.000 0.887 73 D CB 0.208 40.900 40.800 -0.180 0.000 0.978 73 D HN 0.254 nan 8.370 nan 0.000 0.491 74 I N -0.868 119.525 120.570 -0.294 0.000 4.983 74 I HA 0.051 4.220 4.170 -0.001 0.000 0.346 74 I C 0.807 176.727 176.117 -0.328 0.000 1.261 74 I CA -0.027 61.125 61.300 -0.247 0.000 1.406 74 I CB -0.326 37.528 38.000 -0.244 0.000 1.529 74 I HN -0.068 nan 8.210 nan 0.000 0.524 75 L N 2.760 123.709 121.223 -0.457 0.000 2.483 75 L HA 0.087 4.426 4.340 -0.001 0.000 0.277 75 L C -1.838 174.846 176.870 -0.309 0.000 1.248 75 L CA -1.097 53.458 54.840 -0.476 0.000 0.825 75 L CB -0.572 41.086 42.059 -0.669 0.000 1.096 75 L HN -0.127 nan 8.230 nan 0.000 0.512 76 P HA 0.006 nan 4.420 nan 0.000 0.265 76 P C 0.515 177.696 177.300 -0.198 0.000 1.193 76 P CA 0.091 63.090 63.100 -0.169 0.000 0.765 76 P CB 0.586 32.222 31.700 -0.107 0.000 0.823 77 T N 1.737 116.217 114.554 -0.123 0.000 2.649 77 T HA -0.272 4.077 4.350 -0.001 0.000 0.268 77 T C 1.564 176.191 174.700 -0.123 0.000 1.036 77 T CA 1.705 63.737 62.100 -0.113 0.000 1.157 77 T CB -0.491 68.338 68.868 -0.064 0.000 0.861 77 T HN 0.573 nan 8.240 nan 0.000 0.445 78 Q N -0.120 119.632 119.800 -0.080 0.000 2.181 78 Q HA -0.054 4.285 4.340 -0.001 0.000 0.205 78 Q C 2.284 178.172 176.000 -0.187 0.000 0.980 78 Q CA 1.060 56.846 55.803 -0.029 0.000 0.862 78 Q CB -0.244 28.599 28.738 0.174 0.000 0.905 78 Q HN 0.367 nan 8.270 nan 0.000 0.429 79 L N -0.580 120.350 121.223 -0.489 0.000 2.168 79 L HA -0.025 4.315 4.340 -0.001 0.000 0.203 79 L C 1.952 178.554 176.870 -0.447 0.000 1.078 79 L CA 1.077 55.472 54.840 -0.743 0.000 0.780 79 L CB -0.205 41.166 42.059 -1.147 0.000 0.939 79 L HN -0.065 nan 8.230 nan 0.000 0.451 80 V N 0.623 120.307 119.914 -0.384 0.000 2.594 80 V HA -0.198 3.922 4.120 -0.001 0.000 0.253 80 V C 1.890 177.838 176.094 -0.243 0.000 1.069 80 V CA 1.618 63.725 62.300 -0.322 0.000 1.082 80 V CB -1.073 30.578 31.823 -0.286 0.000 0.680 80 V HN 0.509 nan 8.190 nan 0.000 0.469 81 N N 0.364 118.943 118.700 -0.201 0.000 2.461 81 N HA -0.014 4.725 4.740 -0.001 0.000 0.188 81 N C 0.953 176.384 175.510 -0.131 0.000 1.134 81 N CA 0.657 53.620 53.050 -0.145 0.000 0.878 81 N CB -0.101 38.323 38.487 -0.104 0.000 0.972 81 N HN 0.718 nan 8.380 nan 0.000 0.456 82 T N -1.326 113.135 114.554 -0.155 0.000 2.930 82 T HA 0.065 4.415 4.350 -0.001 0.000 0.306 82 T C 1.604 176.222 174.700 -0.136 0.000 1.045 82 T CA -0.276 61.754 62.100 -0.118 0.000 1.134 82 T CB 1.138 69.937 68.868 -0.116 0.000 0.961 82 T HN 0.142 nan 8.240 nan 0.000 0.545 83 S N 2.446 118.082 115.700 -0.107 0.000 2.400 83 S HA -0.169 4.301 4.470 -0.001 0.000 0.232 83 S C 2.117 176.610 174.600 -0.179 0.000 1.025 83 S CA 1.181 59.305 58.200 -0.127 0.000 0.993 83 S CB -1.013 62.136 63.200 -0.087 0.000 0.808 83 S HN 0.705 nan 8.310 nan 0.000 0.478 84 S N 1.539 117.143 115.700 -0.160 0.000 2.356 84 S HA -0.035 4.435 4.470 -0.001 0.000 0.223 84 S C 1.999 176.426 174.600 -0.290 0.000 1.032 84 S CA 1.344 59.426 58.200 -0.197 0.000 1.005 84 S CB -0.649 62.478 63.200 -0.120 0.000 0.867 84 S HN 0.448 nan 8.310 nan 0.000 0.449 85 V N 2.061 121.812 119.914 -0.271 0.000 2.358 85 V HA -0.203 3.916 4.120 -0.001 0.000 0.246 85 V C 2.446 178.338 176.094 -0.337 0.000 1.047 85 V CA 1.581 63.687 62.300 -0.323 0.000 1.035 85 V CB -0.821 30.810 31.823 -0.320 0.000 0.658 85 V HN 0.486 nan 8.190 nan 0.000 0.452 86 Q N -0.444 119.181 119.800 -0.292 0.000 2.135 86 Q HA -0.189 4.150 4.340 -0.001 0.000 0.204 86 Q C 2.343 178.120 176.000 -0.371 0.000 0.981 86 Q CA 1.583 57.222 55.803 -0.272 0.000 0.856 86 Q CB -0.260 28.353 28.738 -0.207 0.000 0.902 86 Q HN 0.534 nan 8.270 nan 0.000 0.425 87 L N -0.099 120.828 121.223 -0.493 0.000 1.994 87 L HA -0.214 4.126 4.340 -0.001 0.000 0.208 87 L C 2.370 178.525 176.870 -1.192 0.000 1.071 87 L CA 0.984 55.316 54.840 -0.846 0.000 0.745 87 L CB -0.438 41.058 42.059 -0.938 0.000 0.892 87 L HN 0.120 nan 8.230 nan 0.000 0.431 88 V N 0.109 119.460 119.914 -0.939 0.000 2.282 88 V HA -0.385 3.735 4.120 -0.001 0.000 0.249 88 V C 2.527 178.339 176.094 -0.471 0.000 1.057 88 V CA 2.240 64.155 62.300 -0.642 0.000 1.032 88 V CB -0.645 30.909 31.823 -0.449 0.000 0.645 88 V HN 0.477 nan 8.190 nan 0.000 0.447 89 K N 0.689 120.863 120.400 -0.376 0.000 2.032 89 K HA -0.242 4.077 4.320 -0.001 0.000 0.209 89 K C 2.410 178.957 176.600 -0.088 0.000 1.048 89 K CA 2.063 58.234 56.287 -0.194 0.000 0.927 89 K CB -0.305 32.091 32.500 -0.174 0.000 0.712 89 K HN 0.641 nan 8.250 nan 0.000 0.441 90 S N -0.330 115.268 115.700 -0.171 0.000 2.382 90 S HA -0.151 4.319 4.470 -0.001 0.000 0.228 90 S C 1.811 176.498 174.600 0.145 0.000 1.027 90 S CA 0.834 59.001 58.200 -0.054 0.000 0.991 90 S CB -0.651 62.471 63.200 -0.128 0.000 0.823 90 S HN 0.425 nan 8.310 nan 0.000 0.469 91 W N 0.892 122.228 121.300 0.060 0.000 2.379 91 W HA 0.094 4.754 4.660 -0.001 0.000 0.307 91 W C 2.345 179.054 176.519 0.318 0.000 1.200 91 W CA 0.120 57.562 57.345 0.162 0.000 1.297 91 W CB -1.596 27.949 29.460 0.142 0.000 1.140 91 W HN 0.299 nan 8.180 nan 0.000 0.507 92 Y N 0.208 120.668 120.300 0.266 0.000 2.165 92 Y HA -0.186 4.364 4.550 -0.001 0.000 0.286 92 Y C 2.463 178.452 175.900 0.148 0.000 1.155 92 Y CA 0.651 58.853 58.100 0.170 0.000 1.164 92 Y CB -1.414 37.083 38.460 0.061 0.000 0.978 92 Y HN -0.077 nan 8.280 nan 0.000 0.513 93 I N -0.536 120.202 120.570 0.280 0.000 2.179 93 I HA -0.330 3.839 4.170 -0.001 0.000 0.242 93 I C 2.502 178.713 176.117 0.156 0.000 1.088 93 I CA 1.657 63.058 61.300 0.168 0.000 1.357 93 I CB -0.347 37.721 38.000 0.113 0.000 1.051 93 I HN 0.130 nan 8.210 nan 0.000 0.409 94 Q N 0.934 120.849 119.800 0.192 0.000 2.084 94 Q HA -0.166 4.174 4.340 -0.001 0.000 0.202 94 Q C 2.231 178.314 176.000 0.139 0.000 0.978 94 Q CA 2.201 58.100 55.803 0.160 0.000 0.844 94 Q CB -0.224 28.627 28.738 0.187 0.000 0.898 94 Q HN 0.355 nan 8.270 nan 0.000 0.426 95 S N 0.172 115.984 115.700 0.186 0.000 2.368 95 S HA -0.127 4.343 4.470 -0.001 0.000 0.225 95 S C 1.646 176.273 174.600 0.045 0.000 1.030 95 S CA 1.085 59.346 58.200 0.102 0.000 0.999 95 S CB -0.485 62.812 63.200 0.163 0.000 0.844 95 S HN 0.468 nan 8.310 nan 0.000 0.459 96 L N 1.730 122.986 121.223 0.054 0.000 2.012 96 L HA -0.065 4.274 4.340 -0.001 0.000 0.210 96 L C 2.064 178.926 176.870 -0.013 0.000 1.073 96 L CA 1.853 56.683 54.840 -0.017 0.000 0.748 96 L CB -0.692 41.369 42.059 0.004 0.000 0.891 96 L HN 0.184 nan 8.230 nan 0.000 0.431 97 M N -0.565 119.056 119.600 0.036 0.000 2.086 97 M HA -0.185 4.294 4.480 -0.001 0.000 0.261 97 M C 2.026 178.361 176.300 0.059 0.000 1.067 97 M CA 1.517 56.841 55.300 0.041 0.000 1.116 97 M CB -1.575 31.058 32.600 0.055 0.000 1.348 97 M HN 0.286 nan 8.290 nan 0.000 0.407 98 D N 0.636 121.082 120.400 0.078 0.000 2.133 98 D HA -0.124 4.515 4.640 -0.001 0.000 0.195 98 D C 2.299 178.743 176.300 0.240 0.000 0.997 98 D CA 1.196 55.272 54.000 0.127 0.000 0.840 98 D CB -0.326 40.533 40.800 0.097 0.000 0.947 98 D HN 0.338 nan 8.370 nan 0.000 0.452 99 L N 0.224 121.546 121.223 0.165 0.000 2.072 99 L HA -0.108 4.231 4.340 -0.001 0.000 0.205 99 L C 2.537 179.583 176.870 0.293 0.000 1.079 99 L CA 0.451 55.436 54.840 0.241 0.000 0.752 99 L CB -0.304 41.780 42.059 0.042 0.000 0.906 99 L HN -0.087 nan 8.230 nan 0.000 0.436 100 V N -0.172 119.790 119.914 0.080 0.000 2.594 100 V HA -0.262 3.857 4.120 -0.001 0.000 0.253 100 V C 2.213 178.375 176.094 0.114 0.000 1.069 100 V CA 1.527 63.809 62.300 -0.030 0.000 1.082 100 V CB -0.559 31.152 31.823 -0.187 0.000 0.680 100 V HN 0.455 nan 8.190 nan 0.000 0.469 101 E N -0.688 119.586 120.200 0.123 0.000 2.333 101 E HA -0.163 4.186 4.350 -0.001 0.000 0.198 101 E C 1.593 178.165 176.600 -0.046 0.000 1.007 101 E CA 0.997 57.404 56.400 0.012 0.000 0.845 101 E CB -0.093 29.566 29.700 -0.069 0.000 0.766 101 E HN 0.669 nan 8.360 nan 0.000 0.507 102 F N -1.027 119.034 119.950 0.184 0.000 2.765 102 F HA 0.073 4.599 4.527 -0.001 0.000 0.302 102 F C 1.593 177.488 175.800 0.157 0.000 1.111 102 F CA 0.207 58.330 58.000 0.205 0.000 1.359 102 F CB 0.160 39.320 39.000 0.266 0.000 1.097 102 F HN 0.032 nan 8.300 nan 0.000 0.577 103 H N 0.539 119.689 119.070 0.133 0.000 2.456 103 H HA -0.156 4.399 4.556 -0.001 0.000 0.296 103 H C 2.084 177.453 175.328 0.069 0.000 1.079 103 H CA 1.819 57.911 56.048 0.072 0.000 1.322 103 H CB -0.108 29.710 29.762 0.094 0.000 1.388 103 H HN 0.480 nan 8.280 nan 0.000 0.538 104 E N 0.055 120.357 120.200 0.169 0.000 2.170 104 E HA -0.035 4.315 4.350 -0.001 0.000 0.191 104 E C 0.282 176.938 176.600 0.093 0.000 0.981 104 E CA 0.203 56.664 56.400 0.101 0.000 0.830 104 E CB 0.198 29.935 29.700 0.061 0.000 0.775 104 E HN 0.042 nan 8.360 nan 0.000 0.470 105 K N 1.820 122.302 120.400 0.136 0.000 2.380 105 K HA 0.100 4.419 4.320 -0.001 0.000 0.267 105 K C 0.074 176.774 176.600 0.167 0.000 0.990 105 K CA -0.006 56.370 56.287 0.149 0.000 0.946 105 K CB 1.291 33.927 32.500 0.227 0.000 0.937 105 K HN 0.044 nan 8.250 nan 0.000 0.491 106 S N 1.686 117.442 115.700 0.094 0.000 2.562 106 S HA 0.249 4.719 4.470 -0.001 0.000 0.275 106 S C -1.794 172.848 174.600 0.071 0.000 1.281 106 S CA -1.483 56.765 58.200 0.080 0.000 1.045 106 S CB 0.871 64.089 63.200 0.030 0.000 0.962 106 S HN 0.203 nan 8.310 nan 0.000 0.503 107 P HA 0.018 nan 4.420 nan 0.000 0.225 107 P C 0.223 177.479 177.300 -0.073 0.000 1.148 107 P CA 0.768 63.919 63.100 0.086 0.000 0.779 107 P CB 0.107 31.920 31.700 0.188 0.000 0.780 108 D N -1.276 119.101 120.400 -0.039 0.000 2.340 108 D HA -0.040 4.600 4.640 -0.001 0.000 0.220 108 D C 0.225 176.483 176.300 -0.070 0.000 1.039 108 D CA 0.578 54.549 54.000 -0.049 0.000 0.866 108 D CB -0.093 40.696 40.800 -0.018 0.000 0.913 108 D HN 0.171 nan 8.370 nan 0.000 0.523 109 D N 1.159 121.499 120.400 -0.099 0.000 2.393 109 D HA 0.012 4.652 4.640 -0.001 0.000 0.232 109 D C 1.226 177.448 176.300 -0.131 0.000 1.192 109 D CA -0.179 53.765 54.000 -0.092 0.000 0.882 109 D CB 1.219 41.975 40.800 -0.074 0.000 1.038 109 D HN -0.269 nan 8.370 nan 0.000 0.499 110 Q N 3.019 122.765 119.800 -0.091 0.000 2.152 110 Q HA -0.195 4.144 4.340 -0.001 0.000 0.206 110 Q C 1.731 177.689 176.000 -0.070 0.000 0.985 110 Q CA 1.515 57.267 55.803 -0.085 0.000 0.863 110 Q CB -0.010 28.699 28.738 -0.048 0.000 0.904 110 Q HN 0.543 nan 8.270 nan 0.000 0.422 111 K N -0.860 119.512 120.400 -0.046 0.000 2.097 111 K HA -0.084 4.236 4.320 -0.001 0.000 0.205 111 K C 1.870 178.473 176.600 0.004 0.000 1.050 111 K CA 1.095 57.373 56.287 -0.014 0.000 0.938 111 K CB -0.172 32.325 32.500 -0.005 0.000 0.718 111 K HN 0.202 nan 8.250 nan 0.000 0.442 112 A N 1.535 124.335 122.820 -0.032 0.000 1.902 112 A HA -0.131 4.189 4.320 -0.001 0.000 0.217 112 A C 2.112 179.650 177.584 -0.077 0.000 1.181 112 A CA 1.348 53.396 52.037 0.018 0.000 0.623 112 A CB -0.659 18.295 19.000 -0.077 0.000 0.818 112 A HN 0.320 nan 8.150 nan 0.000 0.443 113 L N -0.848 120.197 121.223 -0.296 0.000 2.042 113 L HA -0.179 4.160 4.340 -0.001 0.000 0.210 113 L C 2.913 179.770 176.870 -0.022 0.000 1.076 113 L CA 1.620 56.273 54.840 -0.313 0.000 0.749 113 L CB -0.623 41.257 42.059 -0.298 0.000 0.893 113 L HN 0.492 nan 8.230 nan 0.000 0.432 114 S N -0.314 115.389 115.700 0.006 0.000 2.356 114 S HA -0.195 4.274 4.470 -0.001 0.000 0.223 114 S C 1.620 176.282 174.600 0.103 0.000 1.032 114 S CA 1.538 59.772 58.200 0.056 0.000 1.005 114 S CB -0.202 63.020 63.200 0.036 0.000 0.867 114 S HN 0.399 nan 8.310 nan 0.000 0.449 115 D N 0.142 120.638 120.400 0.160 0.000 2.218 115 D HA -0.058 4.582 4.640 -0.001 0.000 0.204 115 D C 1.477 177.958 176.300 0.302 0.000 0.976 115 D CA 0.666 54.823 54.000 0.261 0.000 0.853 115 D CB -0.370 40.644 40.800 0.358 0.000 0.939 115 D HN 0.467 nan 8.370 nan 0.000 0.481 116 F N 1.210 121.134 119.950 -0.044 0.000 2.146 116 F HA -0.159 4.368 4.527 -0.001 0.000 0.298 116 F C 2.188 177.851 175.800 -0.228 0.000 1.096 116 F CA 0.766 58.463 58.000 -0.504 0.000 1.275 116 F CB -0.323 38.373 39.000 -0.506 0.000 1.008 116 F HN -0.233 nan 8.300 nan 0.000 0.480 117 V N 0.474 120.386 119.914 -0.004 0.000 2.332 117 V HA -0.316 3.803 4.120 -0.001 0.000 0.248 117 V C 2.100 178.140 176.094 -0.090 0.000 1.055 117 V CA 2.302 64.594 62.300 -0.013 0.000 1.038 117 V CB -0.670 31.225 31.823 0.119 0.000 0.651 117 V HN 0.265 nan 8.190 nan 0.000 0.450 118 D N -0.390 119.991 120.400 -0.032 0.000 2.144 118 D HA -0.135 4.505 4.640 -0.001 0.000 0.199 118 D C 2.275 178.533 176.300 -0.070 0.000 0.984 118 D CA 1.781 55.766 54.000 -0.025 0.000 0.834 118 D CB -0.350 40.468 40.800 0.030 0.000 0.955 118 D HN 0.389 nan 8.370 nan 0.000 0.465 119 T N 0.863 115.355 114.554 -0.102 0.000 2.821 119 T HA -0.015 4.334 4.350 -0.001 0.000 0.267 119 T C 2.158 176.688 174.700 -0.284 0.000 1.046 119 T CA 0.389 62.410 62.100 -0.131 0.000 1.139 119 T CB -0.099 68.740 68.868 -0.049 0.000 0.871 119 T HN 0.128 nan 8.240 nan 0.000 0.454 120 L N 0.286 121.239 121.223 -0.451 0.000 2.093 120 L HA -0.008 4.331 4.340 -0.001 0.000 0.208 120 L C 2.401 179.125 176.870 -0.245 0.000 1.085 120 L CA 1.130 55.715 54.840 -0.424 0.000 0.755 120 L CB -0.551 41.218 42.059 -0.484 0.000 0.904 120 L HN 0.284 nan 8.230 nan 0.000 0.435 121 I N 0.107 120.572 120.570 -0.175 0.000 2.226 121 I HA -0.330 3.840 4.170 -0.001 0.000 0.245 121 I C 2.724 178.765 176.117 -0.127 0.000 1.100 121 I CA 1.378 62.608 61.300 -0.118 0.000 1.374 121 I CB -0.286 37.667 38.000 -0.078 0.000 1.057 121 I HN 0.264 nan 8.210 nan 0.000 0.413 122 K N 1.086 121.411 120.400 -0.125 0.000 2.032 122 K HA -0.176 4.143 4.320 -0.001 0.000 0.209 122 K C 2.070 178.570 176.600 -0.167 0.000 1.048 122 K CA 1.678 57.896 56.287 -0.116 0.000 0.927 122 K CB -0.063 32.390 32.500 -0.078 0.000 0.712 122 K HN 0.090 nan 8.250 nan 0.000 0.441 123 V N 1.637 121.415 119.914 -0.226 0.000 2.295 123 V HA -0.241 3.879 4.120 -0.001 0.000 0.246 123 V C 2.634 178.467 176.094 -0.435 0.000 1.049 123 V CA 2.134 64.209 62.300 -0.375 0.000 1.024 123 V CB -0.678 30.899 31.823 -0.411 0.000 0.648 123 V HN 0.437 nan 8.190 nan 0.000 0.447 124 R N 0.398 120.736 120.500 -0.270 0.000 2.083 124 R HA -0.213 4.127 4.340 -0.001 0.000 0.237 124 R C 2.213 178.464 176.300 -0.081 0.000 1.137 124 R CA 2.168 58.179 56.100 -0.148 0.000 0.951 124 R CB -0.340 29.908 30.300 -0.087 0.000 0.851 124 R HN 0.529 nan 8.270 nan 0.000 0.434 125 N N 0.637 119.271 118.700 -0.110 0.000 2.120 125 N HA -0.196 4.543 4.740 -0.001 0.000 0.188 125 N C 1.793 177.233 175.510 -0.117 0.000 1.024 125 N CA 1.185 54.174 53.050 -0.100 0.000 0.852 125 N CB -0.433 37.980 38.487 -0.123 0.000 1.003 125 N HN 0.312 nan 8.380 nan 0.000 0.424 126 R N 0.406 120.799 120.500 -0.178 0.000 2.096 126 R HA -0.054 4.286 4.340 -0.001 0.000 0.235 126 R C 1.212 177.367 176.300 -0.242 0.000 1.127 126 R CA 1.294 57.228 56.100 -0.278 0.000 0.968 126 R CB -0.155 30.022 30.300 -0.205 0.000 0.861 126 R HN 0.511 nan 8.270 nan 0.000 0.440 127 H N -2.165 116.809 119.070 -0.160 0.000 2.539 127 H HA -0.046 4.510 4.556 -0.001 0.000 0.267 127 H C 1.360 176.679 175.328 -0.015 0.000 0.982 127 H CA 0.167 56.196 56.048 -0.032 0.000 1.146 127 H CB 0.225 30.048 29.762 0.103 0.000 1.382 127 H HN 0.372 nan 8.280 nan 0.000 0.577 128 H N 1.727 120.788 119.070 -0.014 0.000 2.390 128 H HA -0.109 4.446 4.556 -0.001 0.000 0.298 128 H C 1.171 176.502 175.328 0.004 0.000 1.106 128 H CA 1.485 57.526 56.048 -0.012 0.000 1.297 128 H CB 0.193 29.924 29.762 -0.052 0.000 1.375 128 H HN 0.240 nan 8.280 nan 0.000 0.509 129 N N 0.052 118.721 118.700 -0.052 0.000 2.279 129 N HA 0.009 4.748 4.740 -0.001 0.000 0.226 129 N C 1.245 176.840 175.510 0.142 0.000 1.126 129 N CA 0.259 53.304 53.050 -0.010 0.000 0.846 129 N CB 0.813 39.336 38.487 0.060 0.000 1.050 129 N HN 0.202 nan 8.380 nan 0.000 0.502 130 V N 0.333 120.350 119.914 0.171 0.000 2.295 130 V HA -0.191 3.929 4.120 -0.001 0.000 0.246 130 V C 2.356 178.617 176.094 0.278 0.000 1.049 130 V CA 1.364 63.849 62.300 0.308 0.000 1.024 130 V CB -0.216 31.776 31.823 0.280 0.000 0.648 130 V HN 0.078 nan 8.190 nan 0.000 0.447 131 V N 0.240 120.282 119.914 0.215 0.000 2.287 131 V HA -0.162 3.957 4.120 -0.001 0.000 0.248 131 V C 0.105 176.251 176.094 0.088 0.000 1.053 131 V CA 2.494 64.938 62.300 0.239 0.000 1.027 131 V CB -1.962 29.881 31.823 0.034 0.000 0.646 131 V HN 0.518 nan 8.190 nan 0.000 0.447 132 P HA -0.081 nan 4.420 nan 0.000 0.218 132 P C 1.774 179.085 177.300 0.019 0.000 1.149 132 P CA 1.491 64.555 63.100 -0.061 0.000 0.817 132 P CB -0.149 31.520 31.700 -0.052 0.000 0.785 133 T N -0.953 113.657 114.554 0.093 0.000 2.857 133 T HA -0.102 4.248 4.350 -0.001 0.000 0.266 133 T C 1.701 176.408 174.700 0.011 0.000 1.048 133 T CA 1.224 63.373 62.100 0.081 0.000 1.139 133 T CB -0.579 68.387 68.868 0.164 0.000 0.874 133 T HN 0.025 nan 8.240 nan 0.000 0.455 134 M N 1.998 121.616 119.600 0.031 0.000 2.132 134 M HA 0.200 4.679 4.480 -0.001 0.000 0.263 134 M C 2.273 178.601 176.300 0.047 0.000 1.065 134 M CA 1.283 56.552 55.300 -0.053 0.000 1.122 134 M CB -0.770 31.752 32.600 -0.130 0.000 1.365 134 M HN 0.171 nan 8.290 nan 0.000 0.411 135 A N -0.637 122.252 122.820 0.114 0.000 1.930 135 A HA -0.158 4.162 4.320 -0.001 0.000 0.217 135 A C 2.162 179.803 177.584 0.095 0.000 1.175 135 A CA 1.477 53.591 52.037 0.129 0.000 0.627 135 A CB -0.755 18.161 19.000 -0.140 0.000 0.815 135 A HN 0.605 nan 8.150 nan 0.000 0.443 136 Q N -0.475 119.353 119.800 0.047 0.000 2.224 136 Q HA -0.094 4.245 4.340 -0.001 0.000 0.203 136 Q C 2.097 178.124 176.000 0.046 0.000 0.970 136 Q CA 1.305 57.138 55.803 0.051 0.000 0.865 136 Q CB -0.539 28.221 28.738 0.036 0.000 0.922 136 Q HN 0.661 nan 8.270 nan 0.000 0.445 137 G N 0.719 109.529 108.800 0.016 0.000 2.394 137 G HA2 -0.170 3.789 3.960 -0.001 0.000 0.215 137 G HA3 -0.170 3.789 3.960 -0.001 0.000 0.215 137 G C 1.442 176.380 174.900 0.063 0.000 1.165 137 G CA 0.234 45.326 45.100 -0.013 0.000 0.784 137 G HN 0.250 nan 8.290 nan 0.000 0.535 138 I N 1.185 121.821 120.570 0.110 0.000 2.264 138 I HA -0.115 4.055 4.170 -0.001 0.000 0.248 138 I C 2.678 178.929 176.117 0.224 0.000 1.111 138 I CA 1.036 62.464 61.300 0.215 0.000 1.382 138 I CB -0.829 37.318 38.000 0.245 0.000 1.060 138 I HN 0.203 nan 8.210 nan 0.000 0.418 139 I N 0.204 120.870 120.570 0.160 0.000 2.500 139 I HA -0.187 3.982 4.170 -0.001 0.000 0.252 139 I C 2.362 178.540 176.117 0.102 0.000 1.142 139 I CA 0.717 62.091 61.300 0.123 0.000 1.451 139 I CB -0.276 37.789 38.000 0.108 0.000 1.093 139 I HN 0.248 nan 8.210 nan 0.000 0.430 140 E N 0.456 120.717 120.200 0.101 0.000 2.478 140 E HA -0.216 4.133 4.350 -0.001 0.000 0.198 140 E C 1.939 178.620 176.600 0.136 0.000 1.046 140 E CA 0.588 57.036 56.400 0.080 0.000 0.870 140 E CB 0.135 29.860 29.700 0.042 0.000 0.818 140 E HN 0.637 nan 8.360 nan 0.000 0.527 141 Y N 0.210 120.508 120.300 -0.003 0.000 2.343 141 Y HA 0.029 4.578 4.550 -0.001 0.000 0.294 141 Y C 2.263 178.167 175.900 0.007 0.000 1.122 141 Y CA 0.628 58.724 58.100 -0.008 0.000 1.173 141 Y CB 0.300 38.755 38.460 -0.009 0.000 1.077 141 Y HN -0.121 nan 8.280 nan 0.000 0.542 142 K N 0.578 120.956 120.400 -0.037 0.000 2.057 142 K HA -0.186 4.134 4.320 -0.001 0.000 0.206 142 K C 1.477 178.028 176.600 -0.082 0.000 1.050 142 K CA 1.855 58.058 56.287 -0.139 0.000 0.935 142 K CB -0.243 32.232 32.500 -0.042 0.000 0.715 142 K HN 0.520 nan 8.250 nan 0.000 0.439 143 D N -0.784 119.605 120.400 -0.018 0.000 2.348 143 D HA -0.040 4.600 4.640 -0.001 0.000 0.211 143 D C 1.075 177.373 176.300 -0.003 0.000 0.998 143 D CA 0.539 54.534 54.000 -0.009 0.000 0.873 143 D CB 0.449 41.254 40.800 0.009 0.000 0.925 143 D HN 0.210 nan 8.370 nan 0.000 0.524 144 A N -0.397 122.430 122.820 0.011 0.000 2.348 144 A HA 0.416 4.735 4.320 -0.001 0.000 0.224 144 A C 0.486 178.083 177.584 0.022 0.000 1.227 144 A CA -0.216 51.838 52.037 0.028 0.000 0.885 144 A CB 0.117 19.153 19.000 0.060 0.000 0.933 144 A HN 0.356 nan 8.150 nan 0.000 0.506 145 C N -3.278 116.003 119.300 -0.032 0.000 3.321 145 C HA 0.541 5.000 4.460 -0.001 0.000 0.329 145 C C 0.084 174.990 174.990 -0.139 0.000 1.394 145 C CA -0.652 58.328 59.018 -0.064 0.000 1.291 145 C CB 1.300 29.022 27.740 -0.030 0.000 1.606 145 C HN 0.292 nan 8.230 nan 0.000 0.463 146 T N 1.230 115.717 114.554 -0.112 0.000 2.727 146 T HA 0.605 4.954 4.350 -0.001 0.000 0.298 146 T C -0.926 173.676 174.700 -0.163 0.000 0.942 146 T CA 0.061 62.097 62.100 -0.108 0.000 0.997 146 T CB -0.009 68.826 68.868 -0.055 0.000 0.917 146 T HN 1.011 nan 8.240 nan 0.000 0.487 147 V N 4.536 124.332 119.914 -0.197 0.000 3.108 147 V HA 0.451 4.571 4.120 -0.001 0.000 0.287 147 V C -2.043 173.972 176.094 -0.132 0.000 1.436 147 V CA -0.941 61.232 62.300 -0.211 0.000 1.001 147 V CB 2.512 34.045 31.823 -0.483 0.000 1.141 147 V HN 0.899 nan 8.190 nan 0.000 0.443 148 D N 6.968 127.338 120.400 -0.050 0.000 2.460 148 D HA 0.523 5.162 4.640 -0.001 0.000 0.232 148 D C -1.378 174.953 176.300 0.052 0.000 1.079 148 D CA -2.071 51.934 54.000 0.008 0.000 0.864 148 D CB 2.258 43.075 40.800 0.030 0.000 1.048 148 D HN 0.373 nan 8.370 nan 0.000 0.523 149 P HA -0.153 nan 4.420 nan 0.000 0.218 149 P C 1.492 178.894 177.300 0.170 0.000 1.149 149 P CA 0.448 63.637 63.100 0.149 0.000 0.817 149 P CB 0.515 32.323 31.700 0.180 0.000 0.785 150 V N 1.036 121.045 119.914 0.157 0.000 2.343 150 V HA -0.180 3.939 4.120 -0.001 0.000 0.247 150 V C 2.636 178.807 176.094 0.129 0.000 1.051 150 V CA 2.723 65.124 62.300 0.168 0.000 1.036 150 V CB -2.018 29.926 31.823 0.202 0.000 0.654 150 V HN 0.342 nan 8.190 nan 0.000 0.451 151 T N -3.099 111.518 114.554 0.105 0.000 3.086 151 T HA 0.050 4.399 4.350 -0.001 0.000 0.250 151 T C 0.729 175.484 174.700 0.092 0.000 1.074 151 T CA 0.075 62.224 62.100 0.082 0.000 0.988 151 T CB -0.762 68.142 68.868 0.060 0.000 0.988 151 T HN 0.476 nan 8.240 nan 0.000 0.530 152 N N 1.630 120.401 118.700 0.118 0.000 2.421 152 N HA 0.085 4.825 4.740 -0.001 0.000 0.260 152 N C 1.299 176.906 175.510 0.160 0.000 1.173 152 N CA -0.280 52.851 53.050 0.135 0.000 0.960 152 N CB 0.400 38.987 38.487 0.166 0.000 1.273 152 N HN 0.346 nan 8.380 nan 0.000 0.497 153 Q N 1.738 121.617 119.800 0.132 0.000 2.124 153 Q HA -0.167 4.173 4.340 -0.001 0.000 0.202 153 Q C 1.086 177.204 176.000 0.197 0.000 0.977 153 Q CA 1.140 57.026 55.803 0.139 0.000 0.850 153 Q CB 0.091 28.875 28.738 0.077 0.000 0.901 153 Q HN 0.671 nan 8.270 nan 0.000 0.429 154 N N 0.776 119.602 118.700 0.210 0.000 2.188 154 N HA -0.119 4.621 4.740 -0.001 0.000 0.184 154 N C 1.769 177.538 175.510 0.431 0.000 1.018 154 N CA 0.688 53.936 53.050 0.331 0.000 0.858 154 N CB -0.141 38.546 38.487 0.332 0.000 0.989 154 N HN 0.234 nan 8.380 nan 0.000 0.426 155 L N 1.231 122.645 121.223 0.318 0.000 2.093 155 L HA -0.154 4.185 4.340 -0.001 0.000 0.208 155 L C 2.198 179.271 176.870 0.337 0.000 1.085 155 L CA 1.227 56.257 54.840 0.316 0.000 0.755 155 L CB -0.068 42.149 42.059 0.264 0.000 0.904 155 L HN 0.058 nan 8.230 nan 0.000 0.435 156 Q N -0.785 119.209 119.800 0.324 0.000 2.079 156 Q HA -0.258 4.082 4.340 -0.001 0.000 0.200 156 Q C 2.022 178.231 176.000 0.347 0.000 0.974 156 Q CA 1.934 57.949 55.803 0.354 0.000 0.840 156 Q CB -0.693 28.229 28.738 0.306 0.000 0.898 156 Q HN 0.612 nan 8.270 nan 0.000 0.430 157 Y N 0.752 121.173 120.300 0.202 0.000 2.145 157 Y HA -0.277 4.272 4.550 -0.001 0.000 0.286 157 Y C 2.145 178.153 175.900 0.181 0.000 1.145 157 Y CA 1.597 59.778 58.100 0.136 0.000 1.148 157 Y CB -0.551 37.934 38.460 0.042 0.000 0.981 157 Y HN 0.094 nan 8.280 nan 0.000 0.507 158 F N 0.209 120.310 119.950 0.253 0.000 2.102 158 F HA -0.224 4.302 4.527 -0.001 0.000 0.298 158 F C 1.939 177.719 175.800 -0.034 0.000 1.105 158 F CA 1.798 59.898 58.000 0.167 0.000 1.239 158 F CB -0.789 38.333 39.000 0.204 0.000 0.991 158 F HN 0.048 nan 8.300 nan 0.000 0.474 159 L N -0.046 120.990 121.223 -0.313 0.000 2.083 159 L HA -0.225 4.114 4.340 -0.001 0.000 0.209 159 L C 2.214 178.801 176.870 -0.471 0.000 1.083 159 L CA 1.493 55.922 54.840 -0.685 0.000 0.752 159 L CB -0.881 40.695 42.059 -0.805 0.000 0.899 159 L HN 0.122 nan 8.230 nan 0.000 0.433 160 D N 0.092 120.423 120.400 -0.116 0.000 2.117 160 D HA -0.148 4.492 4.640 -0.001 0.000 0.197 160 D C 2.376 178.607 176.300 -0.114 0.000 0.987 160 D CA 1.191 55.233 54.000 0.071 0.000 0.829 160 D CB 0.041 40.906 40.800 0.109 0.000 0.961 160 D HN 0.238 nan 8.370 nan 0.000 0.460 161 R N -0.639 119.704 120.500 -0.262 0.000 2.073 161 R HA -0.057 4.282 4.340 -0.001 0.000 0.229 161 R C 2.292 178.415 176.300 -0.295 0.000 1.120 161 R CA 0.673 56.612 56.100 -0.267 0.000 0.967 161 R CB -0.487 29.637 30.300 -0.295 0.000 0.862 161 R HN 0.171 nan 8.270 nan 0.000 0.436 162 F N 0.548 120.099 119.950 -0.665 0.000 2.095 162 F HA -0.235 4.291 4.527 -0.001 0.000 0.298 162 F C 1.669 177.184 175.800 -0.474 0.000 1.104 162 F CA 1.499 59.074 58.000 -0.708 0.000 1.232 162 F CB -0.273 37.946 39.000 -1.301 0.000 0.987 162 F HN -0.026 nan 8.300 nan 0.000 0.475 163 Y N -1.230 118.925 120.300 -0.242 0.000 2.314 163 Y HA -0.232 4.317 4.550 -0.001 0.000 0.293 163 Y C 2.416 178.109 175.900 -0.345 0.000 1.129 163 Y CA 0.871 58.812 58.100 -0.264 0.000 1.201 163 Y CB -0.337 38.054 38.460 -0.116 0.000 0.999 163 Y HN 0.180 nan 8.280 nan 0.000 0.541 164 M N 0.774 120.281 119.600 -0.156 0.000 2.132 164 M HA -0.215 4.264 4.480 -0.001 0.000 0.263 164 M C 1.997 178.142 176.300 -0.259 0.000 1.065 164 M CA 1.543 56.714 55.300 -0.215 0.000 1.122 164 M CB -0.652 31.873 32.600 -0.125 0.000 1.365 164 M HN 0.159 nan 8.290 nan 0.000 0.411 165 N N 0.321 118.866 118.700 -0.259 0.000 2.069 165 N HA -0.259 4.480 4.740 -0.001 0.000 0.191 165 N C 2.029 177.362 175.510 -0.294 0.000 1.031 165 N CA 1.864 54.764 53.050 -0.250 0.000 0.852 165 N CB -0.323 38.004 38.487 -0.267 0.000 1.018 165 N HN 0.535 nan 8.380 nan 0.000 0.423 166 R N 0.613 120.888 120.500 -0.375 0.000 2.081 166 R HA -0.022 4.318 4.340 -0.001 0.000 0.235 166 R C 2.508 178.670 176.300 -0.231 0.000 1.131 166 R CA 1.039 56.970 56.100 -0.283 0.000 0.960 166 R CB -0.318 29.827 30.300 -0.258 0.000 0.856 166 R HN 0.255 nan 8.270 nan 0.000 0.436 167 I N 1.296 121.669 120.570 -0.328 0.000 2.194 167 I HA -0.326 3.843 4.170 -0.001 0.000 0.246 167 I C 2.584 178.417 176.117 -0.474 0.000 1.093 167 I CA 1.835 62.865 61.300 -0.450 0.000 1.355 167 I CB -0.322 37.227 38.000 -0.753 0.000 1.046 167 I HN 0.408 nan 8.210 nan 0.000 0.413 168 S N -0.033 115.401 115.700 -0.443 0.000 2.371 168 S HA -0.172 4.298 4.470 -0.001 0.000 0.224 168 S C 2.120 176.709 174.600 -0.018 0.000 1.029 168 S CA 1.458 59.554 58.200 -0.174 0.000 0.978 168 S CB -0.950 62.270 63.200 0.034 0.000 0.833 168 S HN 0.576 nan 8.310 nan 0.000 0.466 169 T N -0.031 114.478 114.554 -0.075 0.000 2.857 169 T HA 0.025 4.374 4.350 -0.001 0.000 0.266 169 T C 1.984 176.678 174.700 -0.010 0.000 1.048 169 T CA 0.944 63.016 62.100 -0.047 0.000 1.139 169 T CB -0.524 68.275 68.868 -0.115 0.000 0.874 169 T HN 0.457 nan 8.240 nan 0.000 0.455 170 R N 0.077 120.570 120.500 -0.011 0.000 2.081 170 R HA -0.026 4.314 4.340 -0.001 0.000 0.235 170 R C 2.501 178.848 176.300 0.078 0.000 1.131 170 R CA 1.619 57.739 56.100 0.034 0.000 0.960 170 R CB -0.404 29.920 30.300 0.041 0.000 0.856 170 R HN 0.417 nan 8.270 nan 0.000 0.436 171 M N 0.549 120.212 119.600 0.106 0.000 2.065 171 M HA -0.150 4.330 4.480 -0.001 0.000 0.259 171 M C 1.719 178.133 176.300 0.190 0.000 1.069 171 M CA 1.618 57.036 55.300 0.198 0.000 1.110 171 M CB -0.340 32.452 32.600 0.321 0.000 1.328 171 M HN 0.176 nan 8.290 nan 0.000 0.405 172 L N -0.291 121.041 121.223 0.182 0.000 2.017 172 L HA -0.152 4.187 4.340 -0.001 0.000 0.208 172 L C 2.402 179.347 176.870 0.125 0.000 1.073 172 L CA 1.994 56.945 54.840 0.184 0.000 0.745 172 L CB -0.907 41.266 42.059 0.190 0.000 0.894 172 L HN 0.409 nan 8.230 nan 0.000 0.432 173 M N -1.358 118.277 119.600 0.058 0.000 2.117 173 M HA -0.220 4.260 4.480 -0.001 0.000 0.262 173 M C 2.001 178.334 176.300 0.055 0.000 1.065 173 M CA 1.727 57.032 55.300 0.007 0.000 1.114 173 M CB -0.692 31.863 32.600 -0.075 0.000 1.361 173 M HN 0.362 nan 8.290 nan 0.000 0.408 174 N N -0.234 118.505 118.700 0.066 0.000 2.188 174 N HA -0.204 4.536 4.740 -0.001 0.000 0.184 174 N C 1.799 177.359 175.510 0.083 0.000 1.018 174 N CA 0.813 53.904 53.050 0.068 0.000 0.858 174 N CB -0.053 38.479 38.487 0.075 0.000 0.989 174 N HN 0.248 nan 8.380 nan 0.000 0.426 175 Q N 0.745 120.613 119.800 0.113 0.000 2.061 175 Q HA -0.211 4.128 4.340 -0.001 0.000 0.204 175 Q C 1.818 177.880 176.000 0.103 0.000 0.984 175 Q CA 1.700 57.568 55.803 0.109 0.000 0.846 175 Q CB -0.302 28.536 28.738 0.166 0.000 0.902 175 Q HN 0.474 nan 8.270 nan 0.000 0.421 176 H N -0.832 118.283 119.070 0.076 0.000 2.326 176 H HA -0.023 4.532 4.556 -0.001 0.000 0.301 176 H C 1.781 177.208 175.328 0.165 0.000 1.081 176 H CA 1.975 58.134 56.048 0.185 0.000 1.334 176 H CB -0.078 29.784 29.762 0.165 0.000 1.385 176 H HN 0.301 nan 8.280 nan 0.000 0.504 177 I N 0.125 120.821 120.570 0.211 0.000 2.127 177 I HA -0.284 3.885 4.170 -0.001 0.000 0.241 177 I C 2.000 178.129 176.117 0.019 0.000 1.075 177 I CA 1.237 62.603 61.300 0.110 0.000 1.334 177 I CB -0.218 37.811 38.000 0.049 0.000 1.040 177 I HN 0.293 nan 8.210 nan 0.000 0.405 178 L N 0.014 121.232 121.223 -0.008 0.000 2.362 178 L HA -0.132 4.207 4.340 -0.001 0.000 0.219 178 L C 2.208 178.998 176.870 -0.133 0.000 1.134 178 L CA 1.013 55.824 54.840 -0.048 0.000 0.807 178 L CB -0.240 41.809 42.059 -0.017 0.000 0.927 178 L HN 0.288 nan 8.230 nan 0.000 0.447 179 I N -1.975 118.439 120.570 -0.260 0.000 2.810 179 I HA -0.091 4.078 4.170 -0.001 0.000 0.262 179 I C 1.592 177.307 176.117 -0.669 0.000 1.131 179 I CA 0.881 61.858 61.300 -0.537 0.000 1.453 179 I CB 0.137 37.620 38.000 -0.861 0.000 1.161 179 I HN 0.054 nan 8.210 nan 0.000 0.444 180 F N 0.584 120.437 119.950 -0.161 0.000 2.717 180 F HA 0.139 4.665 4.527 -0.001 0.000 0.295 180 F C 1.747 177.502 175.800 -0.075 0.000 1.117 180 F CA -0.369 57.539 58.000 -0.154 0.000 1.361 180 F CB -0.062 38.754 39.000 -0.306 0.000 1.112 180 F HN -0.078 nan 8.300 nan 0.000 0.594 181 S N -0.041 115.705 115.700 0.076 0.000 2.600 181 S HA 0.061 4.531 4.470 -0.001 0.000 0.265 181 S C 0.742 175.359 174.600 0.029 0.000 1.325 181 S CA -0.511 57.726 58.200 0.061 0.000 1.002 181 S CB 0.980 64.202 63.200 0.038 0.000 0.921 181 S HN 0.092 nan 8.310 nan 0.000 0.554 182 D N 0.625 121.040 120.400 0.025 0.000 2.262 182 D HA 0.026 4.665 4.640 -0.001 0.000 0.212 182 D C 2.173 178.472 176.300 -0.001 0.000 0.964 182 D CA 1.568 55.575 54.000 0.011 0.000 0.875 182 D CB -0.385 40.423 40.800 0.014 0.000 0.996 182 D HN 0.687 nan 8.370 nan 0.000 0.497 183 S N -0.633 115.066 115.700 -0.002 0.000 2.478 183 S HA 0.061 4.530 4.470 -0.001 0.000 0.222 183 S C 0.909 175.499 174.600 -0.016 0.000 1.008 183 S CA -0.008 58.186 58.200 -0.010 0.000 0.928 183 S CB 0.103 63.297 63.200 -0.010 0.000 0.781 183 S HN 0.032 nan 8.310 nan 0.000 0.518 184 Q N 1.705 121.496 119.800 -0.015 0.000 2.425 184 Q HA 0.400 4.740 4.340 -0.001 0.000 0.254 184 Q C 0.252 176.236 176.000 -0.027 0.000 1.032 184 Q CA -0.142 55.649 55.803 -0.020 0.000 0.798 184 Q CB 1.547 30.275 28.738 -0.016 0.000 1.210 184 Q HN 0.537 nan 8.270 nan 0.000 0.491 185 T N -1.338 113.196 114.554 -0.033 0.000 3.022 185 T HA 0.353 4.703 4.350 -0.001 0.000 0.250 185 T C 1.103 175.776 174.700 -0.045 0.000 1.060 185 T CA 0.223 62.297 62.100 -0.044 0.000 1.013 185 T CB 0.214 69.055 68.868 -0.045 0.000 0.982 185 T HN 0.737 nan 8.240 nan 0.000 0.508 186 G N 2.220 110.998 108.800 -0.037 0.000 2.574 186 G HA2 -0.329 3.631 3.960 -0.001 0.000 0.282 186 G HA3 -0.329 3.631 3.960 -0.001 0.000 0.282 186 G C -0.249 174.604 174.900 -0.080 0.000 1.257 186 G CA -0.048 45.031 45.100 -0.036 0.000 0.956 186 G HN 0.847 nan 8.290 nan 0.000 0.560 187 N N 1.477 120.097 118.700 -0.133 0.000 2.442 187 N HA 0.470 5.209 4.740 -0.001 0.000 0.265 187 N C -1.065 174.303 175.510 -0.238 0.000 1.138 187 N CA -1.057 51.816 53.050 -0.296 0.000 0.956 187 N CB 1.347 39.381 38.487 -0.755 0.000 1.067 187 N HN 0.180 nan 8.380 nan 0.000 0.474 188 P HA -0.172 nan 4.420 nan 0.000 0.217 188 P C 0.664 177.915 177.300 -0.083 0.000 1.148 188 P CA 1.115 64.153 63.100 -0.103 0.000 0.828 188 P CB 0.173 31.823 31.700 -0.082 0.000 0.783 189 S N -3.030 112.596 115.700 -0.124 0.000 2.603 189 S HA -0.002 4.467 4.470 -0.001 0.000 0.220 189 S C 0.565 175.258 174.600 0.155 0.000 0.967 189 S CA -0.100 58.095 58.200 -0.008 0.000 0.920 189 S CB -1.064 62.144 63.200 0.013 0.000 0.773 189 S HN 0.291 nan 8.310 nan 0.000 0.529 190 H N -0.094 118.961 119.070 -0.025 0.000 2.567 190 H HA 0.536 5.091 4.556 -0.001 0.000 0.345 190 H C -0.736 174.564 175.328 -0.046 0.000 1.169 190 H CA -1.193 54.837 56.048 -0.031 0.000 1.227 190 H CB 1.394 31.139 29.762 -0.028 0.000 1.607 190 H HN 0.149 nan 8.280 nan 0.000 0.534 191 I N 2.827 123.443 120.570 0.076 0.000 2.337 191 I HA 0.190 4.359 4.170 -0.001 0.000 0.285 191 I C 0.901 177.017 176.117 -0.002 0.000 1.041 191 I CA 0.181 61.482 61.300 0.002 0.000 1.199 191 I CB 0.514 38.501 38.000 -0.022 0.000 1.370 191 I HN 1.041 nan 8.210 nan 0.000 0.470 192 G N 5.235 114.027 108.800 -0.012 0.000 2.543 192 G HA2 -0.340 3.620 3.960 -0.001 0.000 0.286 192 G HA3 -0.340 3.620 3.960 -0.001 0.000 0.286 192 G C 0.595 175.523 174.900 0.045 0.000 1.153 192 G CA 0.434 45.532 45.100 -0.002 0.000 0.968 192 G HN 0.714 nan 8.290 nan 0.000 0.544 193 S N -0.126 115.588 115.700 0.024 0.000 2.554 193 S HA 0.594 5.064 4.470 -0.001 0.000 0.226 193 S C 0.716 175.231 174.600 -0.142 0.000 0.980 193 S CA 0.289 58.496 58.200 0.011 0.000 0.939 193 S CB 0.077 63.275 63.200 -0.003 0.000 0.832 193 S HN 0.703 nan 8.310 nan 0.000 0.486 194 I N 2.463 122.948 120.570 -0.141 0.000 2.353 194 I HA 0.352 4.521 4.170 -0.001 0.000 0.293 194 I C -0.545 175.404 176.117 -0.281 0.000 0.992 194 I CA -0.578 60.584 61.300 -0.231 0.000 1.268 194 I CB 1.166 39.068 38.000 -0.164 0.000 1.387 194 I HN 0.060 nan 8.210 nan 0.000 0.478 195 D N 8.873 129.050 120.400 -0.371 0.000 2.412 195 D HA 0.259 4.898 4.640 -0.001 0.000 0.224 195 D C -1.860 174.390 176.300 -0.083 0.000 1.093 195 D CA -2.309 51.539 54.000 -0.253 0.000 0.850 195 D CB 1.869 42.504 40.800 -0.276 0.000 1.046 195 D HN 0.163 nan 8.370 nan 0.000 0.507 196 P HA -0.011 nan 4.420 nan 0.000 0.222 196 P C -0.118 177.180 177.300 -0.002 0.000 1.147 196 P CA 0.722 63.804 63.100 -0.030 0.000 0.790 196 P CB 0.316 31.997 31.700 -0.033 0.000 0.780 197 N N -1.293 117.420 118.700 0.022 0.000 2.644 197 N HA 0.066 4.806 4.740 -0.001 0.000 0.313 197 N C -0.750 174.890 175.510 0.217 0.000 1.863 197 N CA -0.342 52.738 53.050 0.050 0.000 0.918 197 N CB -0.194 38.241 38.487 -0.087 0.000 1.320 197 N HN 0.030 nan 8.380 nan 0.000 0.490 198 C N 1.631 121.031 119.300 0.168 0.000 2.601 198 C HA -0.015 4.444 4.460 -0.001 0.000 0.405 198 C C 0.888 175.978 174.990 0.167 0.000 1.441 198 C CA -0.079 59.034 59.018 0.158 0.000 1.555 198 C CB -1.024 26.795 27.740 0.132 0.000 2.450 198 C HN 0.402 nan 8.230 nan 0.000 0.614 199 D N 5.173 125.653 120.400 0.132 0.000 2.470 199 D HA 0.103 4.742 4.640 -0.001 0.000 0.226 199 D C 1.141 177.427 176.300 -0.024 0.000 1.196 199 D CA 0.027 53.997 54.000 -0.051 0.000 0.979 199 D CB 0.763 41.574 40.800 0.019 0.000 1.059 199 D HN 0.510 nan 8.370 nan 0.000 0.515 200 V N 3.592 123.475 119.914 -0.051 0.000 2.282 200 V HA -0.273 3.846 4.120 -0.001 0.000 0.249 200 V C 2.570 178.668 176.094 0.007 0.000 1.057 200 V CA 1.304 63.598 62.300 -0.010 0.000 1.032 200 V CB -0.423 31.381 31.823 -0.032 0.000 0.645 200 V HN 0.456 nan 8.190 nan 0.000 0.447 201 V N 0.200 120.100 119.914 -0.024 0.000 2.490 201 V HA -0.258 3.861 4.120 -0.001 0.000 0.250 201 V C 2.664 178.777 176.094 0.032 0.000 1.061 201 V CA 1.931 64.232 62.300 0.002 0.000 1.064 201 V CB -1.111 30.697 31.823 -0.025 0.000 0.670 201 V HN 0.575 nan 8.190 nan 0.000 0.461 202 A N -0.206 122.632 122.820 0.030 0.000 1.898 202 A HA -0.138 4.182 4.320 -0.001 0.000 0.216 202 A C 2.373 180.024 177.584 0.113 0.000 1.181 202 A CA 1.941 54.016 52.037 0.064 0.000 0.620 202 A CB -0.593 18.444 19.000 0.062 0.000 0.819 202 A HN 0.347 nan 8.150 nan 0.000 0.442 203 V N -0.357 119.633 119.914 0.126 0.000 2.343 203 V HA -0.223 3.897 4.120 -0.001 0.000 0.247 203 V C 2.555 178.761 176.094 0.187 0.000 1.051 203 V CA 1.886 64.298 62.300 0.187 0.000 1.036 203 V CB -0.828 31.101 31.823 0.176 0.000 0.654 203 V HN 0.362 nan 8.190 nan 0.000 0.451 204 V N -0.200 119.812 119.914 0.163 0.000 2.287 204 V HA -0.347 3.773 4.120 -0.001 0.000 0.248 204 V C 2.506 178.762 176.094 0.270 0.000 1.053 204 V CA 2.255 64.704 62.300 0.250 0.000 1.027 204 V CB -0.738 31.202 31.823 0.196 0.000 0.646 204 V HN 0.599 nan 8.190 nan 0.000 0.447 205 Q N -0.611 119.281 119.800 0.154 0.000 2.124 205 Q HA -0.263 4.077 4.340 -0.001 0.000 0.202 205 Q C 2.058 178.163 176.000 0.176 0.000 0.977 205 Q CA 1.995 57.868 55.803 0.117 0.000 0.850 205 Q CB -0.247 28.527 28.738 0.060 0.000 0.901 205 Q HN 0.711 nan 8.270 nan 0.000 0.429 206 D N 0.229 120.743 120.400 0.191 0.000 2.084 206 D HA -0.134 4.506 4.640 -0.001 0.000 0.194 206 D C 1.842 178.293 176.300 0.252 0.000 0.990 206 D CA 1.439 55.576 54.000 0.228 0.000 0.826 206 D CB -0.027 40.943 40.800 0.284 0.000 0.971 206 D HN 0.247 nan 8.370 nan 0.000 0.453 207 A N -0.344 122.566 122.820 0.150 0.000 1.908 207 A HA -0.167 4.152 4.320 -0.001 0.000 0.218 207 A C 2.146 179.918 177.584 0.314 0.000 1.181 207 A CA 1.259 53.297 52.037 0.002 0.000 0.627 207 A CB -1.205 17.752 19.000 -0.072 0.000 0.818 207 A HN 0.440 nan 8.150 nan 0.000 0.445 208 F N 0.759 120.751 119.950 0.070 0.000 2.102 208 F HA -0.166 4.360 4.527 -0.001 0.000 0.298 208 F C 2.349 178.085 175.800 -0.107 0.000 1.105 208 F CA 2.128 59.903 58.000 -0.374 0.000 1.239 208 F CB -0.027 38.584 39.000 -0.648 0.000 0.991 208 F HN 0.201 nan 8.300 nan 0.000 0.474 209 E N -0.275 120.006 120.200 0.134 0.000 2.110 209 E HA -0.206 4.143 4.350 -0.001 0.000 0.193 209 E C 2.486 179.125 176.600 0.065 0.000 0.988 209 E CA 1.386 57.839 56.400 0.089 0.000 0.804 209 E CB -1.085 28.692 29.700 0.128 0.000 0.745 209 E HN 0.459 nan 8.360 nan 0.000 0.458 210 C N 0.253 119.635 119.300 0.136 0.000 2.429 210 C HA -0.066 4.393 4.460 -0.001 0.000 0.277 210 C C 3.063 178.257 174.990 0.339 0.000 1.262 210 C CA 1.127 60.255 59.018 0.184 0.000 1.733 210 C CB -0.901 26.894 27.740 0.092 0.000 2.010 210 C HN 0.421 nan 8.230 nan 0.000 0.483 211 S N -0.016 115.882 115.700 0.330 0.000 2.368 211 S HA -0.173 4.297 4.470 -0.001 0.000 0.224 211 S C 2.118 176.679 174.600 -0.065 0.000 1.029 211 S CA 1.419 59.690 58.200 0.119 0.000 0.988 211 S CB -0.346 62.797 63.200 -0.095 0.000 0.838 211 S HN 0.617 nan 8.310 nan 0.000 0.462 212 R N 0.211 120.582 120.500 -0.215 0.000 2.083 212 R HA -0.004 4.336 4.340 -0.001 0.000 0.237 212 R C 2.474 178.760 176.300 -0.023 0.000 1.137 212 R CA 1.949 57.933 56.100 -0.193 0.000 0.951 212 R CB -0.287 29.873 30.300 -0.234 0.000 0.851 212 R HN 0.464 nan 8.270 nan 0.000 0.434 213 M N 0.006 119.623 119.600 0.028 0.000 2.149 213 M HA -0.210 4.269 4.480 -0.001 0.000 0.261 213 M C 2.265 178.618 176.300 0.088 0.000 1.064 213 M CA 1.495 56.830 55.300 0.059 0.000 1.102 213 M CB -0.245 32.396 32.600 0.069 0.000 1.369 213 M HN 0.280 nan 8.290 nan 0.000 0.408 214 L N -0.733 120.569 121.223 0.131 0.000 2.056 214 L HA -0.250 4.090 4.340 -0.001 0.000 0.207 214 L C 2.754 179.751 176.870 0.211 0.000 1.078 214 L CA 1.103 56.054 54.840 0.185 0.000 0.749 214 L CB -0.327 41.861 42.059 0.215 0.000 0.901 214 L HN 0.500 nan 8.230 nan 0.000 0.433 215 C N 0.449 119.832 119.300 0.139 0.000 2.413 215 C HA -0.207 4.252 4.460 -0.001 0.000 0.276 215 C C 2.370 177.495 174.990 0.225 0.000 1.248 215 C CA 1.291 60.428 59.018 0.198 0.000 1.742 215 C CB -0.770 27.027 27.740 0.096 0.000 2.017 215 C HN 0.552 nan 8.230 nan 0.000 0.481 216 D N -0.043 120.433 120.400 0.126 0.000 2.149 216 D HA -0.151 4.488 4.640 -0.001 0.000 0.198 216 D C 2.327 178.660 176.300 0.054 0.000 0.990 216 D CA 1.342 55.398 54.000 0.094 0.000 0.839 216 D CB -0.581 40.251 40.800 0.054 0.000 0.948 216 D HN 0.691 nan 8.370 nan 0.000 0.460 217 Q N -0.990 118.825 119.800 0.025 0.000 2.167 217 Q HA -0.128 4.211 4.340 -0.001 0.000 0.202 217 Q C 1.599 177.452 176.000 -0.245 0.000 0.970 217 Q CA 0.887 56.628 55.803 -0.102 0.000 0.855 217 Q CB -0.052 28.605 28.738 -0.135 0.000 0.911 217 Q HN 0.449 nan 8.270 nan 0.000 0.438 218 Y N -2.305 117.884 120.300 -0.185 0.000 2.490 218 Y HA -0.062 4.488 4.550 -0.001 0.000 0.285 218 Y C 0.696 176.230 175.900 -0.610 0.000 1.117 218 Y CA 0.674 58.503 58.100 -0.452 0.000 1.262 218 Y CB 0.635 38.681 38.460 -0.690 0.000 1.043 218 Y HN 0.108 nan 8.280 nan 0.000 0.553 219 Y N -2.578 117.787 120.300 0.108 0.000 2.540 219 Y HA 0.312 4.862 4.550 -0.001 0.000 0.257 219 Y C 0.607 176.521 175.900 0.024 0.000 1.090 219 Y CA -0.830 57.304 58.100 0.057 0.000 1.242 219 Y CB 0.391 38.881 38.460 0.050 0.000 1.325 219 Y HN -0.203 nan 8.280 nan 0.000 0.544 220 L N 1.432 122.737 121.223 0.137 0.000 4.040 220 L HA -0.272 4.068 4.340 -0.001 0.000 0.410 220 L C -0.223 176.700 176.870 0.087 0.000 1.187 220 L CA 0.997 55.885 54.840 0.081 0.000 0.956 220 L CB -2.073 40.018 42.059 0.054 0.000 2.022 220 L HN 0.398 nan 8.230 nan 0.000 0.897 221 S N -1.757 114.013 115.700 0.117 0.000 2.586 221 S HA 0.767 5.236 4.470 -0.001 0.000 0.277 221 S C -0.554 174.090 174.600 0.072 0.000 1.131 221 S CA -0.025 58.219 58.200 0.074 0.000 0.848 221 S CB 2.511 65.740 63.200 0.048 0.000 1.091 221 S HN 0.713 nan 8.310 nan 0.000 0.453 222 S N 0.088 115.809 115.700 0.035 0.000 2.547 222 S HA 0.833 5.302 4.470 -0.001 0.000 0.270 222 S C -3.513 171.098 174.600 0.018 0.000 1.150 222 S CA -1.241 56.965 58.200 0.009 0.000 0.850 222 S CB 0.938 64.132 63.200 -0.010 0.000 1.118 222 S HN 0.606 nan 8.310 nan 0.000 0.461 223 P HA 0.359 nan 4.420 nan 0.000 0.272 223 P C -0.407 177.015 177.300 0.203 0.000 1.223 223 P CA -0.311 62.836 63.100 0.079 0.000 0.784 223 P CB 0.402 32.148 31.700 0.077 0.000 0.923 224 E N 0.373 120.667 120.200 0.157 0.000 2.312 224 E HA 0.349 4.698 4.350 -0.001 0.000 0.259 224 E C -0.612 175.992 176.600 0.008 0.000 1.122 224 E CA -0.836 55.650 56.400 0.143 0.000 0.922 224 E CB 0.647 30.365 29.700 0.031 0.000 1.109 224 E HN 0.224 nan 8.360 nan 0.000 0.442 225 L N 1.260 122.237 121.223 -0.411 0.000 2.295 225 L HA 0.279 4.619 4.340 -0.001 0.000 0.285 225 L C -0.906 175.728 176.870 -0.393 0.000 1.035 225 L CA -0.008 54.321 54.840 -0.851 0.000 0.806 225 L CB 0.699 41.730 42.059 -1.713 0.000 1.214 225 L HN 0.275 nan 8.230 nan 0.000 0.426 226 K N 6.519 126.761 120.400 -0.262 0.000 2.449 226 K HA 0.456 4.776 4.320 -0.001 0.000 0.257 226 K C -1.418 175.105 176.600 -0.128 0.000 0.989 226 K CA -0.501 55.700 56.287 -0.145 0.000 0.916 226 K CB 1.588 34.043 32.500 -0.075 0.000 1.136 226 K HN 0.620 nan 8.250 nan 0.000 0.439 227 L N 2.067 123.217 121.223 -0.122 0.000 2.346 227 L HA 0.514 4.854 4.340 -0.001 0.000 0.276 227 L C -0.964 175.877 176.870 -0.047 0.000 1.006 227 L CA -0.134 54.656 54.840 -0.083 0.000 0.817 227 L CB 2.020 44.017 42.059 -0.103 0.000 1.272 227 L HN 0.448 nan 8.230 nan 0.000 0.421 228 T N 3.662 118.200 114.554 -0.026 0.000 2.893 228 T HA 0.528 4.878 4.350 -0.001 0.000 0.291 228 T C -1.359 173.336 174.700 -0.009 0.000 1.028 228 T CA -0.593 61.497 62.100 -0.015 0.000 0.995 228 T CB 1.724 70.587 68.868 -0.009 0.000 1.051 228 T HN 0.679 nan 8.240 nan 0.000 0.470 229 Q N 0.247 120.043 119.800 -0.006 0.000 2.359 229 Q HA 0.795 5.135 4.340 -0.001 0.000 0.274 229 Q C -1.903 174.100 176.000 0.006 0.000 1.074 229 Q CA -1.064 54.738 55.803 -0.001 0.000 0.810 229 Q CB 2.063 30.798 28.738 -0.004 0.000 1.342 229 Q HN 0.370 nan 8.270 nan 0.000 0.427 230 V N 2.506 122.427 119.914 0.011 0.000 2.482 230 V HA 0.319 4.438 4.120 -0.001 0.000 0.295 230 V C -0.837 175.272 176.094 0.026 0.000 1.026 230 V CA -0.800 61.509 62.300 0.016 0.000 0.856 230 V CB 1.651 33.480 31.823 0.010 0.000 1.001 230 V HN 0.852 nan 8.190 nan 0.000 0.424 231 N N 3.484 122.210 118.700 0.043 0.000 2.645 231 N HA 0.234 4.973 4.740 -0.001 0.000 0.233 231 N C 1.137 176.670 175.510 0.039 0.000 1.058 231 N CA 0.478 53.570 53.050 0.071 0.000 0.942 231 N CB 1.838 40.406 38.487 0.135 0.000 1.210 231 N HN 0.799 nan 8.380 nan 0.000 0.512 232 G N 2.655 111.454 108.800 -0.001 0.000 2.403 232 G HA2 -0.211 3.749 3.960 -0.001 0.000 0.216 232 G HA3 -0.211 3.749 3.960 -0.001 0.000 0.216 232 G C 1.378 176.211 174.900 -0.111 0.000 1.154 232 G CA 0.419 45.496 45.100 -0.038 0.000 0.784 232 G HN 0.528 nan 8.290 nan 0.000 0.538 233 K N -0.482 119.796 120.400 -0.204 0.000 2.057 233 K HA 0.040 4.360 4.320 -0.001 0.000 0.206 233 K C -0.293 175.885 176.600 -0.702 0.000 1.050 233 K CA 0.607 56.569 56.287 -0.541 0.000 0.935 233 K CB -0.084 31.943 32.500 -0.789 0.000 0.715 233 K HN 0.297 nan 8.250 nan 0.000 0.439 234 F N 1.097 121.058 119.950 0.018 0.000 2.809 234 F HA 0.358 4.885 4.527 -0.001 0.000 0.369 234 F C -2.486 173.324 175.800 0.017 0.000 1.225 234 F CA -2.717 55.295 58.000 0.019 0.000 1.201 234 F CB 1.196 40.212 39.000 0.026 0.000 1.527 234 F HN -0.169 nan 8.300 nan 0.000 0.565 235 P HA -0.110 nan 4.420 nan 0.000 0.261 235 P C 0.261 177.616 177.300 0.092 0.000 1.158 235 P CA 1.202 64.355 63.100 0.088 0.000 0.758 235 P CB 0.399 32.133 31.700 0.056 0.000 0.763 236 D N -0.614 119.828 120.400 0.069 0.000 3.006 236 D HA -0.182 4.458 4.640 -0.001 0.000 0.208 236 D C 0.084 176.420 176.300 0.061 0.000 1.116 236 D CA 1.261 55.294 54.000 0.054 0.000 0.998 236 D CB -0.572 40.252 40.800 0.041 0.000 1.124 236 D HN 0.455 nan 8.370 nan 0.000 0.413 237 Q N 0.009 119.864 119.800 0.092 0.000 2.260 237 Q HA 0.448 4.788 4.340 -0.001 0.000 0.242 237 Q C -2.138 173.905 176.000 0.073 0.000 0.932 237 Q CA -1.564 54.285 55.803 0.077 0.000 0.891 237 Q CB 0.377 29.161 28.738 0.077 0.000 1.222 237 Q HN 0.065 nan 8.270 nan 0.000 0.453 238 P HA 0.109 nan 4.420 nan 0.000 0.269 238 P C -0.411 176.898 177.300 0.015 0.000 1.209 238 P CA 0.161 63.272 63.100 0.020 0.000 0.776 238 P CB 0.459 32.200 31.700 0.069 0.000 0.876 239 I N 3.413 123.925 120.570 -0.097 0.000 2.325 239 I HA 0.229 4.398 4.170 -0.001 0.000 0.291 239 I C 0.238 176.219 176.117 -0.227 0.000 1.019 239 I CA -0.046 61.223 61.300 -0.052 0.000 1.302 239 I CB 0.202 38.189 38.000 -0.022 0.000 1.401 239 I HN 0.431 nan 8.210 nan 0.000 0.485 240 H N 6.064 125.164 119.070 0.050 0.000 2.806 240 H HA 0.731 5.287 4.556 -0.001 0.000 0.367 240 H C -0.707 174.655 175.328 0.057 0.000 1.136 240 H CA -0.656 55.414 56.048 0.037 0.000 1.178 240 H CB 2.135 31.900 29.762 0.005 0.000 1.718 240 H HN 0.501 nan 8.280 nan 0.000 0.540 241 I N -1.744 118.934 120.570 0.181 0.000 3.102 241 I HA 0.577 4.746 4.170 -0.001 0.000 0.310 241 I C -1.203 174.987 176.117 0.121 0.000 1.246 241 I CA -1.461 59.920 61.300 0.135 0.000 0.979 241 I CB 1.963 40.026 38.000 0.106 0.000 1.267 241 I HN 0.264 nan 8.210 nan 0.000 0.451 242 V N 3.352 123.317 119.914 0.085 0.000 2.470 242 V HA 0.332 4.452 4.120 -0.001 0.000 0.276 242 V C -0.661 175.493 176.094 0.100 0.000 1.040 242 V CA 0.533 62.854 62.300 0.036 0.000 1.008 242 V CB 0.046 31.850 31.823 -0.031 0.000 0.990 242 V HN 0.654 nan 8.190 nan 0.000 0.477 243 Y N 2.802 123.040 120.300 -0.103 0.000 2.750 243 Y HA 0.489 5.038 4.550 -0.001 0.000 0.335 243 Y C -0.631 175.188 175.900 -0.135 0.000 1.252 243 Y CA -0.945 57.092 58.100 -0.106 0.000 1.064 243 Y CB 1.869 40.316 38.460 -0.021 0.000 1.321 243 Y HN 0.214 nan 8.280 nan 0.000 0.451 244 V N 5.786 125.313 119.914 -0.644 0.000 2.320 244 V HA 0.214 4.334 4.120 -0.001 0.000 0.265 244 V C -1.788 174.261 176.094 -0.074 0.000 1.048 244 V CA -1.175 60.869 62.300 -0.427 0.000 0.865 244 V CB 0.854 32.259 31.823 -0.696 0.000 1.043 244 V HN 0.652 nan 8.190 nan 0.000 0.474 245 P HA -0.168 nan 4.420 nan 0.000 0.218 245 P C 1.732 179.134 177.300 0.170 0.000 1.148 245 P CA 1.676 64.852 63.100 0.127 0.000 0.822 245 P CB 0.245 31.993 31.700 0.080 0.000 0.784 246 S N -0.750 115.007 115.700 0.095 0.000 2.382 246 S HA -0.220 4.250 4.470 -0.001 0.000 0.228 246 S C 1.989 176.697 174.600 0.180 0.000 1.027 246 S CA 1.017 59.295 58.200 0.131 0.000 0.991 246 S CB -1.885 61.379 63.200 0.107 0.000 0.823 246 S HN 0.335 nan 8.310 nan 0.000 0.469 247 H N 0.485 119.525 119.070 -0.050 0.000 2.357 247 H HA 0.047 4.603 4.556 -0.001 0.000 0.301 247 H C 2.274 177.620 175.328 0.031 0.000 1.082 247 H CA 1.196 57.084 56.048 -0.266 0.000 1.342 247 H CB -0.156 29.576 29.762 -0.051 0.000 1.389 247 H HN 0.305 nan 8.280 nan 0.000 0.511 248 L N 0.644 122.110 121.223 0.406 0.000 2.046 248 L HA -0.199 4.141 4.340 -0.001 0.000 0.208 248 L C 2.441 179.439 176.870 0.213 0.000 1.077 248 L CA 1.728 56.745 54.840 0.295 0.000 0.747 248 L CB -0.902 41.310 42.059 0.255 0.000 0.896 248 L HN 0.351 nan 8.230 nan 0.000 0.432 249 H N -1.473 117.690 119.070 0.154 0.000 2.353 249 H HA -0.248 4.307 4.556 -0.001 0.000 0.300 249 H C 2.206 177.630 175.328 0.159 0.000 1.090 249 H CA 2.202 58.335 56.048 0.141 0.000 1.327 249 H CB -0.035 29.791 29.762 0.105 0.000 1.383 249 H HN 0.665 nan 8.280 nan 0.000 0.508 250 H N 0.089 119.271 119.070 0.188 0.000 2.290 250 H HA -0.119 4.437 4.556 -0.001 0.000 0.298 250 H C 2.673 178.096 175.328 0.158 0.000 1.087 250 H CA 2.396 58.543 56.048 0.165 0.000 1.291 250 H CB -0.098 29.633 29.762 -0.052 0.000 1.369 250 H HN 0.248 nan 8.280 nan 0.000 0.492 251 M N -0.219 119.541 119.600 0.268 0.000 2.082 251 M HA -0.196 4.283 4.480 -0.001 0.000 0.258 251 M C 2.399 178.688 176.300 -0.017 0.000 1.069 251 M CA 1.672 57.082 55.300 0.184 0.000 1.102 251 M CB -0.324 32.382 32.600 0.176 0.000 1.336 251 M HN 0.307 nan 8.290 nan 0.000 0.404 252 L N -1.140 120.031 121.223 -0.086 0.000 2.083 252 L HA -0.195 4.145 4.340 -0.001 0.000 0.209 252 L C 2.509 179.214 176.870 -0.275 0.000 1.083 252 L CA 1.029 55.666 54.840 -0.337 0.000 0.752 252 L CB -0.727 41.189 42.059 -0.238 0.000 0.899 252 L HN 0.189 nan 8.230 nan 0.000 0.433 253 F N 1.185 121.009 119.950 -0.210 0.000 2.102 253 F HA -0.200 4.326 4.527 -0.001 0.000 0.298 253 F C 2.571 178.317 175.800 -0.090 0.000 1.105 253 F CA 1.588 59.530 58.000 -0.097 0.000 1.239 253 F CB -0.175 38.757 39.000 -0.114 0.000 0.991 253 F HN 0.019 nan 8.300 nan 0.000 0.474 254 E N 0.594 120.672 120.200 -0.203 0.000 2.077 254 E HA -0.167 4.183 4.350 -0.001 0.000 0.193 254 E C 2.465 178.932 176.600 -0.222 0.000 0.989 254 E CA 1.373 57.613 56.400 -0.267 0.000 0.800 254 E CB -0.698 28.923 29.700 -0.132 0.000 0.746 254 E HN 0.460 nan 8.360 nan 0.000 0.452 255 L N -0.502 120.592 121.223 -0.214 0.000 2.156 255 L HA -0.066 4.273 4.340 -0.001 0.000 0.208 255 L C 2.450 179.228 176.870 -0.154 0.000 1.095 255 L CA 0.817 55.529 54.840 -0.212 0.000 0.770 255 L CB -0.414 41.483 42.059 -0.272 0.000 0.914 255 L HN 0.061 nan 8.230 nan 0.000 0.439 256 F N 0.360 120.244 119.950 -0.111 0.000 2.146 256 F HA -0.171 4.355 4.527 -0.001 0.000 0.298 256 F C 2.599 178.266 175.800 -0.221 0.000 1.096 256 F CA 0.772 58.698 58.000 -0.122 0.000 1.275 256 F CB -0.093 38.840 39.000 -0.111 0.000 1.008 256 F HN -0.071 nan 8.300 nan 0.000 0.480 257 K N 0.213 120.518 120.400 -0.160 0.000 2.063 257 K HA -0.187 4.133 4.320 -0.001 0.000 0.208 257 K C 1.683 178.193 176.600 -0.149 0.000 1.048 257 K CA 1.472 57.610 56.287 -0.248 0.000 0.928 257 K CB -0.308 31.930 32.500 -0.436 0.000 0.713 257 K HN 0.182 nan 8.250 nan 0.000 0.442 258 N N 0.854 119.475 118.700 -0.132 0.000 2.084 258 N HA -0.132 4.608 4.740 -0.001 0.000 0.190 258 N C 1.716 177.188 175.510 -0.063 0.000 1.030 258 N CA 1.452 54.441 53.050 -0.101 0.000 0.849 258 N CB -0.381 38.041 38.487 -0.108 0.000 1.012 258 N HN 0.184 nan 8.380 nan 0.000 0.423 259 A N 0.869 123.677 122.820 -0.019 0.000 1.930 259 A HA -0.046 4.273 4.320 -0.001 0.000 0.217 259 A C 2.281 179.861 177.584 -0.007 0.000 1.175 259 A CA 1.108 53.154 52.037 0.015 0.000 0.627 259 A CB -0.390 18.676 19.000 0.110 0.000 0.815 259 A HN 0.192 nan 8.150 nan 0.000 0.443 260 M N -1.453 118.133 119.600 -0.024 0.000 2.123 260 M HA -0.093 4.386 4.480 -0.001 0.000 0.263 260 M C 2.413 178.651 176.300 -0.103 0.000 1.069 260 M CA 1.785 57.046 55.300 -0.065 0.000 1.133 260 M CB -0.312 32.229 32.600 -0.099 0.000 1.356 260 M HN 0.501 nan 8.290 nan 0.000 0.415 261 R N 0.747 121.199 120.500 -0.080 0.000 2.083 261 R HA -0.155 4.185 4.340 -0.001 0.000 0.237 261 R C 2.148 178.371 176.300 -0.128 0.000 1.137 261 R CA 1.862 57.912 56.100 -0.082 0.000 0.951 261 R CB -0.314 29.966 30.300 -0.032 0.000 0.851 261 R HN 0.344 nan 8.270 nan 0.000 0.434 262 A N -0.027 122.740 122.820 -0.089 0.000 1.902 262 A HA -0.131 4.188 4.320 -0.001 0.000 0.217 262 A C 2.207 179.749 177.584 -0.070 0.000 1.181 262 A CA 2.022 54.013 52.037 -0.077 0.000 0.623 262 A CB -0.928 18.025 19.000 -0.078 0.000 0.818 262 A HN 0.494 nan 8.150 nan 0.000 0.443 263 T N -0.303 114.204 114.554 -0.079 0.000 2.674 263 T HA -0.128 4.221 4.350 -0.001 0.000 0.265 263 T C 1.904 176.547 174.700 -0.096 0.000 1.039 263 T CA 1.674 63.738 62.100 -0.059 0.000 1.150 263 T CB -0.506 68.330 68.868 -0.053 0.000 0.864 263 T HN 0.145 nan 8.240 nan 0.000 0.427 264 V N 1.597 121.387 119.914 -0.207 0.000 2.295 264 V HA -0.179 3.940 4.120 -0.001 0.000 0.246 264 V C 2.513 178.432 176.094 -0.292 0.000 1.049 264 V CA 1.737 63.842 62.300 -0.326 0.000 1.024 264 V CB -0.576 30.843 31.823 -0.674 0.000 0.648 264 V HN 0.557 nan 8.190 nan 0.000 0.447 265 E N -0.750 119.291 120.200 -0.265 0.000 2.107 265 E HA -0.232 4.117 4.350 -0.001 0.000 0.191 265 E C 2.163 178.745 176.600 -0.029 0.000 0.982 265 E CA 1.295 57.617 56.400 -0.130 0.000 0.809 265 E CB -0.190 29.468 29.700 -0.071 0.000 0.756 265 E HN 0.727 nan 8.360 nan 0.000 0.459 266 H N 0.875 119.880 119.070 -0.109 0.000 2.462 266 H HA 0.019 4.575 4.556 -0.001 0.000 0.292 266 H C 1.208 176.492 175.328 -0.072 0.000 1.049 266 H CA 1.286 57.288 56.048 -0.078 0.000 1.334 266 H CB 0.305 30.018 29.762 -0.082 0.000 1.404 266 H HN 0.027 nan 8.280 nan 0.000 0.544 267 Q N -0.186 119.540 119.800 -0.123 0.000 2.198 267 Q HA 0.036 4.376 4.340 -0.001 0.000 0.209 267 Q C 1.182 177.110 176.000 -0.121 0.000 0.848 267 Q CA 0.190 55.896 55.803 -0.162 0.000 0.974 267 Q CB 0.620 29.299 28.738 -0.097 0.000 1.115 267 Q HN 0.744 nan 8.270 nan 0.000 0.494 268 E N 0.244 120.378 120.200 -0.109 0.000 2.331 268 E HA -0.165 4.185 4.350 -0.001 0.000 0.199 268 E C 0.739 177.305 176.600 -0.057 0.000 1.008 268 E CA 0.800 57.154 56.400 -0.075 0.000 0.843 268 E CB -0.029 29.638 29.700 -0.055 0.000 0.761 268 E HN 0.191 nan 8.360 nan 0.000 0.507 269 N N 0.779 119.435 118.700 -0.074 0.000 2.276 269 N HA 0.082 4.821 4.740 -0.001 0.000 0.212 269 N C -0.386 175.090 175.510 -0.057 0.000 1.127 269 N CA 0.230 53.245 53.050 -0.058 0.000 0.834 269 N CB 0.602 39.052 38.487 -0.061 0.000 1.014 269 N HN 0.320 nan 8.380 nan 0.000 0.491 270 Q N -0.329 119.434 119.800 -0.062 0.000 2.351 270 Q HA 0.349 4.689 4.340 -0.001 0.000 0.273 270 Q C -1.655 174.324 176.000 -0.035 0.000 1.077 270 Q CA -1.651 54.121 55.803 -0.051 0.000 0.843 270 Q CB 1.673 30.373 28.738 -0.063 0.000 1.367 270 Q HN -0.106 nan 8.270 nan 0.000 0.449 271 P HA -0.133 nan 4.420 nan 0.000 0.218 271 P C -0.081 177.210 177.300 -0.015 0.000 1.149 271 P CA 1.068 64.158 63.100 -0.016 0.000 0.817 271 P CB 0.343 32.036 31.700 -0.012 0.000 0.785 272 S N -2.292 113.397 115.700 -0.018 0.000 2.720 272 S HA 0.609 5.078 4.470 -0.001 0.000 0.287 272 S C -1.151 173.436 174.600 -0.022 0.000 1.168 272 S CA -0.972 57.220 58.200 -0.015 0.000 0.832 272 S CB 0.989 64.184 63.200 -0.007 0.000 1.166 272 S HN -0.149 nan 8.310 nan 0.000 0.493 273 L N 1.952 123.166 121.223 -0.016 0.000 2.341 273 L HA 0.558 4.898 4.340 -0.001 0.000 0.278 273 L C 0.375 177.240 176.870 -0.008 0.000 1.005 273 L CA -0.783 54.045 54.840 -0.020 0.000 0.818 273 L CB 2.258 44.304 42.059 -0.021 0.000 1.259 273 L HN 1.003 nan 8.230 nan 0.000 0.418 274 T N 0.420 114.967 114.554 -0.012 0.000 2.918 274 T HA 0.374 4.723 4.350 -0.001 0.000 0.302 274 T C -2.390 172.313 174.700 0.005 0.000 1.045 274 T CA -1.292 60.804 62.100 -0.005 0.000 1.114 274 T CB 0.809 69.667 68.868 -0.017 0.000 0.965 274 T HN 0.231 nan 8.240 nan 0.000 0.540 275 P HA 0.433 nan 4.420 nan 0.000 0.277 275 P C -0.492 176.830 177.300 0.037 0.000 1.271 275 P CA -0.780 62.334 63.100 0.023 0.000 0.795 275 P CB 0.434 32.130 31.700 -0.006 0.000 1.101 276 I N 0.553 121.164 120.570 0.068 0.000 2.321 276 I HA 0.210 4.380 4.170 -0.001 0.000 0.291 276 I C 0.535 176.673 176.117 0.036 0.000 0.998 276 I CA -0.337 61.027 61.300 0.106 0.000 1.227 276 I CB 0.757 38.917 38.000 0.267 0.000 1.368 276 I HN 0.202 nan 8.210 nan 0.000 0.466 277 E N 5.600 125.829 120.200 0.049 0.000 2.174 277 E HA 0.496 4.846 4.350 -0.001 0.000 0.282 277 E C -1.159 175.475 176.600 0.057 0.000 0.992 277 E CA -0.548 55.867 56.400 0.024 0.000 0.803 277 E CB 2.295 32.013 29.700 0.030 0.000 1.090 277 E HN 0.258 nan 8.360 nan 0.000 0.396 278 V N 4.514 124.447 119.914 0.033 0.000 2.656 278 V HA 0.471 4.590 4.120 -0.001 0.000 0.307 278 V C -0.450 175.660 176.094 0.026 0.000 1.051 278 V CA -0.823 61.517 62.300 0.067 0.000 0.893 278 V CB 1.880 33.780 31.823 0.129 0.000 0.999 278 V HN 0.612 nan 8.190 nan 0.000 0.426 279 I N 4.220 124.803 120.570 0.022 0.000 2.498 279 I HA 0.668 4.838 4.170 -0.001 0.000 0.290 279 I C -1.179 174.937 176.117 -0.001 0.000 1.032 279 I CA -0.553 60.751 61.300 0.006 0.000 1.073 279 I CB 1.855 39.856 38.000 0.003 0.000 1.251 279 I HN 0.402 nan 8.210 nan 0.000 0.426 280 V N 7.781 127.694 119.914 -0.002 0.000 2.384 280 V HA 0.493 4.612 4.120 -0.001 0.000 0.287 280 V C -0.439 175.652 176.094 -0.004 0.000 1.020 280 V CA -0.552 61.744 62.300 -0.007 0.000 0.850 280 V CB 1.564 33.384 31.823 -0.005 0.000 0.987 280 V HN 0.468 nan 8.190 nan 0.000 0.436 281 V N 6.064 125.975 119.914 -0.005 0.000 2.588 281 V HA 0.510 4.629 4.120 -0.001 0.000 0.304 281 V C -0.677 175.426 176.094 0.014 0.000 1.042 281 V CA -0.671 61.633 62.300 0.006 0.000 0.877 281 V CB 1.978 33.806 31.823 0.007 0.000 0.996 281 V HN 0.667 nan 8.190 nan 0.000 0.425 282 L N 4.714 125.951 121.223 0.023 0.000 2.298 282 L HA 0.916 5.255 4.340 -0.001 0.000 0.284 282 L C 0.390 177.261 176.870 0.001 0.000 1.013 282 L CA 0.505 55.363 54.840 0.030 0.000 0.824 282 L CB 1.033 43.135 42.059 0.071 0.000 1.221 282 L HN 0.722 nan 8.230 nan 0.000 0.418 283 G N 3.267 112.065 108.800 -0.003 0.000 2.753 283 G HA2 0.303 4.262 3.960 -0.001 0.000 0.285 283 G HA3 0.303 4.262 3.960 -0.001 0.000 0.285 283 G C 0.240 175.103 174.900 -0.061 0.000 1.344 283 G CA -0.475 44.607 45.100 -0.030 0.000 1.050 283 G HN 0.638 nan 8.290 nan 0.000 0.532 284 K N -0.380 119.977 120.400 -0.072 0.000 2.097 284 K HA -0.064 4.255 4.320 -0.001 0.000 0.206 284 K C 1.840 178.414 176.600 -0.043 0.000 1.049 284 K CA 1.843 58.077 56.287 -0.087 0.000 0.933 284 K CB 0.079 32.533 32.500 -0.077 0.000 0.717 284 K HN 0.740 nan 8.250 nan 0.000 0.442 285 E N -0.352 119.838 120.200 -0.016 0.000 2.601 285 E HA 0.102 4.452 4.350 -0.001 0.000 0.219 285 E C -0.544 176.072 176.600 0.028 0.000 0.964 285 E CA -0.160 56.242 56.400 0.005 0.000 1.050 285 E CB 0.625 30.326 29.700 0.001 0.000 1.068 285 E HN 0.028 nan 8.360 nan 0.000 0.496 286 D N 1.374 121.796 120.400 0.036 0.000 2.601 286 D HA 0.275 4.914 4.640 -0.001 0.000 0.230 286 D C -1.207 175.131 176.300 0.065 0.000 1.106 286 D CA -0.618 53.423 54.000 0.069 0.000 0.873 286 D CB 2.772 43.635 40.800 0.105 0.000 1.515 286 D HN -0.004 nan 8.370 nan 0.000 0.468 287 L N 1.492 122.753 121.223 0.064 0.000 2.305 287 L HA 0.483 4.823 4.340 -0.001 0.000 0.284 287 L C -0.994 175.893 176.870 0.029 0.000 1.013 287 L CA 0.048 54.906 54.840 0.029 0.000 0.819 287 L CB 1.022 43.076 42.059 -0.009 0.000 1.227 287 L HN 0.337 nan 8.230 nan 0.000 0.417 288 T N 6.513 121.071 114.554 0.006 0.000 2.841 288 T HA 0.656 5.005 4.350 -0.001 0.000 0.283 288 T C -0.138 174.507 174.700 -0.092 0.000 1.000 288 T CA -0.309 61.753 62.100 -0.063 0.000 0.977 288 T CB 1.874 70.716 68.868 -0.042 0.000 0.979 288 T HN 0.478 nan 8.240 nan 0.000 0.446 289 I N 2.592 123.076 120.570 -0.144 0.000 2.447 289 I HA 0.443 4.612 4.170 -0.001 0.000 0.287 289 I C -0.224 175.823 176.117 -0.117 0.000 1.023 289 I CA -0.831 60.409 61.300 -0.100 0.000 1.083 289 I CB 1.975 39.923 38.000 -0.086 0.000 1.245 289 I HN 0.348 nan 8.210 nan 0.000 0.434 290 K N 7.656 128.016 120.400 -0.066 0.000 2.274 290 K HA 0.661 4.980 4.320 -0.001 0.000 0.262 290 K C -1.363 175.242 176.600 0.009 0.000 0.961 290 K CA -0.481 55.782 56.287 -0.041 0.000 0.833 290 K CB 1.408 33.893 32.500 -0.025 0.000 1.102 290 K HN 0.589 nan 8.250 nan 0.000 0.436 291 I N 3.299 123.880 120.570 0.017 0.000 2.382 291 I HA 0.188 4.358 4.170 -0.001 0.000 0.286 291 I C -0.715 175.450 176.117 0.080 0.000 1.002 291 I CA -0.572 60.773 61.300 0.074 0.000 1.135 291 I CB 2.003 40.023 38.000 0.033 0.000 1.288 291 I HN 0.525 nan 8.210 nan 0.000 0.448 292 S N 4.590 120.346 115.700 0.095 0.000 2.473 292 S HA 0.566 5.036 4.470 -0.001 0.000 0.307 292 S C -0.871 173.769 174.600 0.066 0.000 1.094 292 S CA -0.831 57.417 58.200 0.080 0.000 1.070 292 S CB 1.610 64.861 63.200 0.084 0.000 1.019 292 S HN 0.731 nan 8.310 nan 0.000 0.480 293 D N 0.382 120.798 120.400 0.027 0.000 2.531 293 D HA 0.465 5.105 4.640 -0.001 0.000 0.244 293 D C -0.614 175.603 176.300 -0.138 0.000 1.090 293 D CA -1.082 52.905 54.000 -0.022 0.000 0.989 293 D CB 0.898 41.692 40.800 -0.010 0.000 1.433 293 D HN 0.292 nan 8.370 nan 0.000 0.492 294 R N 0.150 120.536 120.500 -0.190 0.000 3.135 294 R HA 0.410 4.750 4.340 -0.001 0.000 0.343 294 R C 0.513 176.681 176.300 -0.221 0.000 1.227 294 R CA -0.431 55.441 56.100 -0.379 0.000 1.227 294 R CB 1.028 31.105 30.300 -0.370 0.000 1.436 294 R HN 0.620 nan 8.270 nan 0.000 0.595 295 G N -0.606 108.064 108.800 -0.217 0.000 3.314 295 G HA2 0.248 4.208 3.960 -0.001 0.000 0.238 295 G HA3 0.248 4.208 3.960 -0.001 0.000 0.238 295 G C 1.007 175.634 174.900 -0.455 0.000 1.184 295 G CA 0.412 45.395 45.100 -0.195 0.000 0.806 295 G HN 0.551 nan 8.290 nan 0.000 0.536 296 G N -1.037 107.323 108.800 -0.734 0.000 2.268 296 G HA2 0.164 4.123 3.960 -0.001 0.000 0.240 296 G HA3 0.164 4.123 3.960 -0.001 0.000 0.240 296 G C 1.222 175.929 174.900 -0.323 0.000 1.010 296 G CA 0.650 45.223 45.100 -0.880 0.000 0.618 296 G HN 2.108 nan 8.290 nan 0.000 0.516 297 G N -1.664 107.016 108.800 -0.200 0.000 2.752 297 G HA2 0.343 4.302 3.960 -0.001 0.000 0.234 297 G HA3 0.343 4.302 3.960 -0.001 0.000 0.234 297 G C 0.435 175.301 174.900 -0.055 0.000 1.367 297 G CA 1.566 46.618 45.100 -0.079 0.000 0.879 297 G HN 2.309 nan 8.290 nan 0.000 0.563 298 V N -3.979 115.924 119.914 -0.018 0.000 3.087 298 V HA 0.834 4.953 4.120 -0.001 0.000 0.306 298 V C -2.688 173.410 176.094 0.007 0.000 1.187 298 V CA -1.963 60.334 62.300 -0.006 0.000 0.999 298 V CB 1.997 33.817 31.823 -0.005 0.000 1.049 298 V HN 0.828 nan 8.190 nan 0.000 0.431 299 P HA 0.175 nan 4.420 nan 0.000 0.265 299 P C 0.707 178.013 177.300 0.009 0.000 1.193 299 P CA -0.116 62.992 63.100 0.013 0.000 0.765 299 P CB 0.709 32.417 31.700 0.012 0.000 0.823 300 L N 4.570 125.803 121.223 0.017 0.000 2.129 300 L HA -0.176 4.163 4.340 -0.001 0.000 0.212 300 L C 2.270 179.142 176.870 0.004 0.000 1.087 300 L CA 1.801 56.651 54.840 0.018 0.000 0.757 300 L CB -0.782 41.294 42.059 0.028 0.000 0.896 300 L HN 0.322 nan 8.230 nan 0.000 0.434 301 R N -0.723 119.777 120.500 0.001 0.000 2.127 301 R HA -0.163 4.177 4.340 -0.001 0.000 0.238 301 R C 1.681 177.964 176.300 -0.028 0.000 1.134 301 R CA 1.679 57.774 56.100 -0.008 0.000 0.975 301 R CB -0.098 30.200 30.300 -0.003 0.000 0.865 301 R HN 0.409 nan 8.270 nan 0.000 0.447 302 I N 0.767 121.314 120.570 -0.038 0.000 3.603 302 I HA -0.094 4.075 4.170 -0.001 0.000 0.297 302 I C 1.959 178.009 176.117 -0.113 0.000 1.269 302 I CA 0.176 61.423 61.300 -0.088 0.000 1.361 302 I CB -0.596 37.364 38.000 -0.067 0.000 1.063 302 I HN 0.139 nan 8.210 nan 0.000 0.448 303 I N 1.436 121.977 120.570 -0.048 0.000 2.145 303 I HA -0.332 3.837 4.170 -0.001 0.000 0.244 303 I C 2.121 178.266 176.117 0.046 0.000 1.075 303 I CA 1.743 63.040 61.300 -0.006 0.000 1.332 303 I CB -0.979 37.033 38.000 0.020 0.000 1.033 303 I HN 0.250 nan 8.210 nan 0.000 0.410 304 D N 0.338 120.747 120.400 0.015 0.000 2.178 304 D HA -0.146 4.494 4.640 -0.001 0.000 0.201 304 D C 2.319 178.614 176.300 -0.008 0.000 0.980 304 D CA 0.863 54.889 54.000 0.044 0.000 0.842 304 D CB -0.161 40.634 40.800 -0.009 0.000 0.948 304 D HN 0.400 nan 8.370 nan 0.000 0.472 305 R N 0.370 120.767 120.500 -0.171 0.000 2.096 305 R HA -0.046 4.293 4.340 -0.001 0.000 0.235 305 R C 2.544 178.530 176.300 -0.523 0.000 1.127 305 R CA 0.534 56.399 56.100 -0.393 0.000 0.968 305 R CB -0.358 29.531 30.300 -0.685 0.000 0.861 305 R HN 0.246 nan 8.270 nan 0.000 0.440 306 L N -0.347 120.621 121.223 -0.426 0.000 2.081 306 L HA -0.191 4.148 4.340 -0.001 0.000 0.212 306 L C 1.720 178.436 176.870 -0.257 0.000 1.080 306 L CA 1.427 56.096 54.840 -0.285 0.000 0.754 306 L CB -0.424 41.461 42.059 -0.289 0.000 0.893 306 L HN 0.140 nan 8.230 nan 0.000 0.433 307 F N -0.247 119.617 119.950 -0.143 0.000 2.811 307 F HA 0.046 4.573 4.527 -0.001 0.000 0.301 307 F C 1.377 177.043 175.800 -0.222 0.000 1.151 307 F CA -0.074 57.830 58.000 -0.161 0.000 1.412 307 F CB -0.084 38.831 39.000 -0.141 0.000 1.113 307 F HN -0.116 nan 8.300 nan 0.000 0.579 308 S N -0.565 115.123 115.700 -0.019 0.000 2.537 308 S HA 0.227 4.697 4.470 -0.001 0.000 0.275 308 S C -0.554 174.005 174.600 -0.070 0.000 1.272 308 S CA -0.528 57.662 58.200 -0.017 0.000 1.050 308 S CB 0.228 63.470 63.200 0.070 0.000 0.961 308 S HN 0.064 nan 8.310 nan 0.000 0.496 309 Y N 2.144 122.446 120.300 0.003 0.000 2.712 309 Y HA 0.047 4.597 4.550 -0.001 0.000 0.333 309 Y C 2.076 177.990 175.900 0.023 0.000 1.225 309 Y CA 1.362 59.372 58.100 -0.150 0.000 1.499 309 Y CB 0.060 38.394 38.460 -0.209 0.000 1.288 309 Y HN 1.073 nan 8.280 nan 0.000 0.575 310 T N -0.861 113.815 114.554 0.203 0.000 7.776 310 T HA -0.361 3.989 4.350 -0.001 0.000 0.302 310 T C -0.123 174.683 174.700 0.178 0.000 2.093 310 T CA 0.799 63.065 62.100 0.277 0.000 3.360 310 T CB -2.526 66.508 68.868 0.276 0.000 1.793 310 T HN 0.653 nan 8.240 nan 0.000 1.076 311 Y N 2.696 123.035 120.300 0.065 0.000 2.496 311 Y HA 0.547 5.096 4.550 -0.000 0.000 0.334 311 Y C 0.330 176.238 175.900 0.013 0.000 1.080 311 Y CA 0.637 58.755 58.100 0.029 0.000 1.355 311 Y CB 0.692 39.150 38.460 -0.003 0.000 1.193 311 Y HN 0.590 nan 8.280 nan 0.000 0.523 312 S N 2.983 118.225 115.700 -0.762 0.000 2.547 312 S HA 0.271 4.740 4.470 -0.001 0.000 0.270 312 S C 0.170 174.430 174.600 -0.567 0.000 1.150 312 S CA -0.186 57.696 58.200 -0.529 0.000 0.850 312 S CB 0.971 64.047 63.200 -0.207 0.000 1.118 312 S HN 0.776 nan 8.310 nan 0.000 0.461 313 T N 0.592 114.931 114.554 -0.359 0.000 3.144 313 T HA 0.593 4.942 4.350 -0.001 0.000 0.249 313 T C 0.500 175.109 174.700 -0.153 0.000 1.089 313 T CA 0.314 62.277 62.100 -0.228 0.000 0.989 313 T CB 0.008 68.804 68.868 -0.121 0.000 0.992 313 T HN 0.867 nan 8.240 nan 0.000 0.540 314 A N 1.878 124.600 122.820 -0.163 0.000 2.356 314 A HA 0.812 5.132 4.320 -0.001 0.000 0.323 314 A C -2.836 174.671 177.584 -0.129 0.000 1.119 314 A CA -2.234 49.724 52.037 -0.132 0.000 0.790 314 A CB 0.792 19.702 19.000 -0.150 0.000 1.273 314 A HN 0.169 nan 8.150 nan 0.000 0.452 315 P HA 0.218 nan 4.420 nan 0.000 0.269 315 P C -0.261 176.976 177.300 -0.105 0.000 1.215 315 P CA 0.137 63.185 63.100 -0.086 0.000 0.780 315 P CB 0.305 31.965 31.700 -0.066 0.000 0.898 316 T N 4.004 118.518 114.554 -0.068 0.000 2.817 316 T HA 0.168 4.517 4.350 -0.001 0.000 0.295 316 T C -1.719 172.919 174.700 -0.103 0.000 0.958 316 T CA -0.545 61.520 62.100 -0.059 0.000 1.157 316 T CB -0.655 68.225 68.868 0.021 0.000 0.898 316 T HN 0.362 nan 8.240 nan 0.000 0.536 325 A N 2.870 125.766 122.820 0.126 0.000 2.303 325 A HA 0.695 5.015 4.320 -0.001 0.000 0.320 325 A C -2.518 175.192 177.584 0.210 0.000 1.192 325 A CA -1.081 51.063 52.037 0.180 0.000 0.821 325 A CB 0.740 19.861 19.000 0.202 0.000 1.188 325 A HN 0.127 nan 8.150 nan 0.000 0.492 326 P HA 0.167 nan 4.420 nan 0.000 0.286 326 P C 0.574 177.799 177.300 -0.124 0.000 1.269 326 P CA -0.420 62.681 63.100 0.002 0.000 0.787 326 P CB 1.452 33.005 31.700 -0.245 0.000 0.920 327 L N 2.868 123.814 121.223 -0.461 0.000 2.093 327 L HA 0.115 4.455 4.340 -0.001 0.000 0.208 327 L C 0.716 177.381 176.870 -0.341 0.000 1.085 327 L CA 1.911 56.451 54.840 -0.500 0.000 0.755 327 L CB -0.704 40.778 42.059 -0.962 0.000 0.904 327 L HN 0.619 nan 8.230 nan 0.000 0.435 328 A N -3.471 119.133 122.820 -0.359 0.000 2.602 328 A HA 0.675 4.995 4.320 -0.001 0.000 0.290 328 A C 0.371 177.779 177.584 -0.294 0.000 1.114 328 A CA -0.039 51.847 52.037 -0.251 0.000 0.683 328 A CB 0.857 19.731 19.000 -0.210 0.000 1.281 328 A HN 0.493 nan 8.150 nan 0.000 0.416 329 G N -1.448 107.209 108.800 -0.238 0.000 3.514 329 G HA2 -0.048 3.912 3.960 -0.001 0.000 0.197 329 G HA3 -0.048 3.912 3.960 -0.001 0.000 0.197 329 G C 0.757 175.557 174.900 -0.166 0.000 1.098 329 G CA 0.655 45.592 45.100 -0.273 0.000 0.884 329 G HN 0.697 nan 8.290 nan 0.000 0.433 330 F N 1.884 121.850 119.950 0.027 0.000 2.171 330 F HA 0.292 4.819 4.527 -0.001 0.000 0.300 330 F C 2.435 178.393 175.800 0.263 0.000 1.090 330 F CA 2.140 60.200 58.000 0.100 0.000 1.293 330 F CB -0.490 38.533 39.000 0.037 0.000 1.013 330 F HN 1.077 nan 8.300 nan 0.000 0.486 331 G N -1.804 107.212 108.800 0.359 0.000 2.160 331 G HA2 -0.339 3.621 3.960 -0.001 0.000 0.244 331 G HA3 -0.339 3.621 3.960 -0.001 0.000 0.244 331 G C 0.473 175.550 174.900 0.294 0.000 1.022 331 G CA 0.379 45.631 45.100 0.254 0.000 0.741 331 G HN 0.408 nan 8.290 nan 0.000 0.508 332 Y N -0.428 119.960 120.300 0.146 0.000 2.483 332 Y HA 0.316 4.866 4.550 -0.001 0.000 0.258 332 Y C 2.711 178.647 175.900 0.060 0.000 1.083 332 Y CA 0.862 59.027 58.100 0.108 0.000 1.283 332 Y CB -0.205 38.322 38.460 0.111 0.000 1.178 332 Y HN 0.228 nan 8.280 nan 0.000 0.515 333 G N 0.873 109.795 108.800 0.203 0.000 2.529 333 G HA2 -0.288 3.671 3.960 -0.001 0.000 0.219 333 G HA3 -0.288 3.671 3.960 -0.001 0.000 0.219 333 G C 1.673 176.601 174.900 0.048 0.000 1.177 333 G CA 1.524 46.692 45.100 0.113 0.000 0.773 333 G HN 0.329 nan 8.290 nan 0.000 0.573 334 L N 1.331 122.503 121.223 -0.084 0.000 2.005 334 L HA -0.029 4.311 4.340 -0.001 0.000 0.207 334 L C 0.496 177.359 176.870 -0.011 0.000 1.072 334 L CA 1.366 56.096 54.840 -0.183 0.000 0.744 334 L CB -1.137 40.549 42.059 -0.622 0.000 0.895 334 L HN 0.236 nan 8.230 nan 0.000 0.433 335 P HA -0.180 nan 4.420 nan 0.000 0.217 335 P C 1.810 179.083 177.300 -0.045 0.000 1.150 335 P CA 1.493 64.492 63.100 -0.169 0.000 0.832 335 P CB -0.011 31.144 31.700 -0.908 0.000 0.787 336 I N 0.288 120.857 120.570 -0.002 0.000 2.252 336 I HA -0.137 4.033 4.170 -0.001 0.000 0.245 336 I C 2.451 178.622 176.117 0.090 0.000 1.102 336 I CA 1.403 62.717 61.300 0.023 0.000 1.385 336 I CB -1.764 36.295 38.000 0.097 0.000 1.064 336 I HN -0.023 nan 8.210 nan 0.000 0.414 337 S N 0.366 116.226 115.700 0.267 0.000 2.368 337 S HA -0.211 4.258 4.470 -0.001 0.000 0.225 337 S C 2.108 176.873 174.600 0.275 0.000 1.030 337 S CA 1.316 59.738 58.200 0.371 0.000 0.999 337 S CB -0.330 63.038 63.200 0.280 0.000 0.844 337 S HN 0.395 nan 8.310 nan 0.000 0.459 338 R N 0.959 121.587 120.500 0.215 0.000 2.092 338 R HA 0.023 4.362 4.340 -0.001 0.000 0.231 338 R C 2.112 178.490 176.300 0.130 0.000 1.119 338 R CA 0.951 57.164 56.100 0.187 0.000 0.970 338 R CB -0.320 30.089 30.300 0.182 0.000 0.864 338 R HN 0.352 nan 8.270 nan 0.000 0.440 339 L N -0.275 120.983 121.223 0.058 0.000 2.046 339 L HA -0.212 4.127 4.340 -0.001 0.000 0.208 339 L C 2.168 179.036 176.870 -0.003 0.000 1.077 339 L CA 1.589 56.414 54.840 -0.026 0.000 0.747 339 L CB -0.614 41.352 42.059 -0.156 0.000 0.896 339 L HN 0.292 nan 8.230 nan 0.000 0.432 340 Y N -0.281 120.044 120.300 0.042 0.000 2.181 340 Y HA -0.279 4.270 4.550 -0.001 0.000 0.288 340 Y C 2.688 178.746 175.900 0.263 0.000 1.146 340 Y CA 0.987 59.133 58.100 0.076 0.000 1.164 340 Y CB -0.330 38.154 38.460 0.039 0.000 0.982 340 Y HN 0.178 nan 8.280 nan 0.000 0.515 341 A N 0.331 123.387 122.820 0.394 0.000 1.902 341 A HA -0.207 4.113 4.320 -0.001 0.000 0.217 341 A C 2.036 179.804 177.584 0.307 0.000 1.181 341 A CA 1.818 54.065 52.037 0.350 0.000 0.623 341 A CB -0.461 18.693 19.000 0.256 0.000 0.818 341 A HN 0.395 nan 8.150 nan 0.000 0.443 342 K N -1.764 118.772 120.400 0.227 0.000 2.365 342 K HA -0.071 4.248 4.320 -0.001 0.000 0.199 342 K C 1.749 178.452 176.600 0.172 0.000 1.045 342 K CA 0.957 57.346 56.287 0.170 0.000 0.962 342 K CB -0.245 32.318 32.500 0.105 0.000 0.759 342 K HN 0.588 nan 8.250 nan 0.000 0.469 343 Y N 0.490 120.809 120.300 0.031 0.000 2.256 343 Y HA -0.177 4.373 4.550 -0.001 0.000 0.288 343 Y C 0.644 176.413 175.900 -0.219 0.000 1.155 343 Y CA 1.347 59.361 58.100 -0.143 0.000 1.203 343 Y CB -0.067 38.256 38.460 -0.229 0.000 0.980 343 Y HN -0.070 nan 8.280 nan 0.000 0.530 344 F N 1.230 121.200 119.950 0.032 0.000 2.908 344 F HA 0.209 4.736 4.527 -0.001 0.000 0.328 344 F C 0.342 176.172 175.800 0.050 0.000 1.211 344 F CA -0.463 57.497 58.000 -0.067 0.000 1.291 344 F CB 0.216 39.209 39.000 -0.010 0.000 0.962 344 F HN -0.108 nan 8.300 nan 0.000 0.505 345 Q N -0.878 119.032 119.800 0.182 0.000 2.489 345 Q HA -0.157 4.182 4.340 -0.001 0.000 0.259 345 Q C 0.494 176.587 176.000 0.154 0.000 0.934 345 Q CA 0.857 56.744 55.803 0.140 0.000 1.131 345 Q CB -1.945 26.860 28.738 0.111 0.000 1.472 345 Q HN 0.665 nan 8.270 nan 0.000 0.560 346 G N -0.695 108.232 108.800 0.212 0.000 2.641 346 G HA2 0.569 4.529 3.960 -0.001 0.000 0.239 346 G HA3 0.569 4.529 3.960 -0.001 0.000 0.239 346 G C -0.551 174.466 174.900 0.195 0.000 1.402 346 G CA 0.368 45.596 45.100 0.215 0.000 1.046 346 G HN 0.112 nan 8.290 nan 0.000 0.565 347 D N -2.305 118.246 120.400 0.252 0.000 2.671 347 D HA 0.492 5.131 4.640 -0.001 0.000 0.273 347 D C -1.710 174.753 176.300 0.272 0.000 1.264 347 D CA -0.448 53.688 54.000 0.227 0.000 0.788 347 D CB 1.886 42.794 40.800 0.181 0.000 1.324 347 D HN 0.343 nan 8.370 nan 0.000 0.424 348 L N 1.901 123.241 121.223 0.195 0.000 2.505 348 L HA 0.561 4.901 4.340 -0.001 0.000 0.266 348 L C -1.633 175.309 176.870 0.120 0.000 0.954 348 L CA -0.517 54.428 54.840 0.173 0.000 0.852 348 L CB 1.430 43.601 42.059 0.187 0.000 1.282 348 L HN 0.291 nan 8.230 nan 0.000 0.403 349 N N 4.083 122.862 118.700 0.131 0.000 2.321 349 N HA 0.609 5.349 4.740 -0.001 0.000 0.290 349 N C -1.772 173.727 175.510 -0.019 0.000 1.212 349 N CA -0.536 52.509 53.050 -0.009 0.000 0.767 349 N CB 2.841 41.319 38.487 -0.015 0.000 1.494 349 N HN 0.316 nan 8.380 nan 0.000 0.479 350 L N 1.781 122.909 121.223 -0.158 0.000 2.362 350 L HA 0.474 4.813 4.340 -0.001 0.000 0.275 350 L C -1.485 175.130 176.870 -0.425 0.000 0.998 350 L CA -0.451 54.323 54.840 -0.111 0.000 0.820 350 L CB 0.884 42.981 42.059 0.064 0.000 1.270 350 L HN 0.467 nan 8.230 nan 0.000 0.415 351 Y N 2.086 122.440 120.300 0.089 0.000 2.332 351 Y HA 0.582 5.132 4.550 -0.001 0.000 0.326 351 Y C 0.201 176.138 175.900 0.061 0.000 0.978 351 Y CA -0.412 57.730 58.100 0.071 0.000 1.205 351 Y CB 2.245 40.743 38.460 0.063 0.000 1.131 351 Y HN 0.512 nan 8.280 nan 0.000 0.462 352 S N 3.756 119.547 115.700 0.151 0.000 2.578 352 S HA 0.711 5.181 4.470 -0.001 0.000 0.301 352 S C -1.058 173.609 174.600 0.112 0.000 1.091 352 S CA -0.664 57.601 58.200 0.109 0.000 1.032 352 S CB 0.652 63.883 63.200 0.052 0.000 1.064 352 S HN 0.615 nan 8.310 nan 0.000 0.508 353 L N 3.462 124.757 121.223 0.120 0.000 2.356 353 L HA 0.376 4.715 4.340 -0.001 0.000 0.264 353 L C 0.327 177.260 176.870 0.104 0.000 1.029 353 L CA -0.553 54.359 54.840 0.120 0.000 0.897 353 L CB 1.297 43.458 42.059 0.170 0.000 1.256 353 L HN 0.607 nan 8.230 nan 0.000 0.444 354 S N 1.893 117.631 115.700 0.063 0.000 2.629 354 S HA 0.280 4.750 4.470 -0.001 0.000 0.302 354 S C 1.210 175.842 174.600 0.052 0.000 1.244 354 S CA 1.201 59.423 58.200 0.038 0.000 1.098 354 S CB 0.116 63.334 63.200 0.031 0.000 0.858 354 S HN 1.018 nan 8.310 nan 0.000 0.502 355 G N 3.777 112.594 108.800 0.029 0.000 2.201 355 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.212 355 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.212 355 G C 0.169 175.140 174.900 0.118 0.000 0.994 355 G CA 0.473 45.611 45.100 0.064 0.000 0.644 355 G HN 0.844 nan 8.290 nan 0.000 0.508 356 Y N 0.251 120.515 120.300 -0.061 0.000 3.208 356 Y HA 0.523 5.073 4.550 -0.000 0.000 0.205 356 Y C 1.236 177.087 175.900 -0.082 0.000 0.923 356 Y CA 1.732 59.810 58.100 -0.035 0.000 1.596 356 Y CB 0.656 39.117 38.460 0.002 0.000 1.478 356 Y HN 0.893 nan 8.280 nan 0.000 0.409 357 G N -0.546 108.201 108.800 -0.088 0.000 2.427 357 G HA2 0.465 4.424 3.960 -0.001 0.000 0.306 357 G HA3 0.465 4.424 3.960 -0.001 0.000 0.306 357 G C -1.633 173.279 174.900 0.019 0.000 1.280 357 G CA -0.283 44.709 45.100 -0.180 0.000 0.837 357 G HN 0.067 nan 8.290 nan 0.000 0.482 358 T N 0.890 115.450 114.554 0.010 0.000 2.933 358 T HA 0.603 4.953 4.350 -0.001 0.000 0.305 358 T C -1.890 172.856 174.700 0.077 0.000 1.092 358 T CA -0.570 61.562 62.100 0.053 0.000 1.008 358 T CB 2.032 70.905 68.868 0.008 0.000 1.102 358 T HN 0.378 nan 8.240 nan 0.000 0.469 359 D N 1.964 122.435 120.400 0.120 0.000 2.256 359 D HA 0.607 5.247 4.640 -0.001 0.000 0.240 359 D C -0.594 175.781 176.300 0.125 0.000 1.062 359 D CA -0.269 53.807 54.000 0.126 0.000 0.832 359 D CB 1.713 42.609 40.800 0.160 0.000 1.135 359 D HN 0.677 nan 8.370 nan 0.000 0.484 360 A N 2.898 125.760 122.820 0.070 0.000 2.304 360 A HA 0.684 5.004 4.320 -0.001 0.000 0.323 360 A C -0.497 177.098 177.584 0.019 0.000 1.195 360 A CA -0.700 51.362 52.037 0.041 0.000 0.826 360 A CB 0.631 19.624 19.000 -0.013 0.000 1.184 360 A HN 0.628 nan 8.150 nan 0.000 0.496 361 I N 3.003 123.586 120.570 0.021 0.000 2.466 361 I HA 0.577 4.746 4.170 -0.001 0.000 0.289 361 I C -1.311 174.692 176.117 -0.190 0.000 1.026 361 I CA -0.952 60.279 61.300 -0.116 0.000 1.078 361 I CB 1.215 39.134 38.000 -0.135 0.000 1.249 361 I HN 0.593 nan 8.210 nan 0.000 0.429 362 I N 7.692 128.113 120.570 -0.249 0.000 2.377 362 I HA 0.334 4.504 4.170 -0.001 0.000 0.293 362 I C -1.292 174.667 176.117 -0.263 0.000 0.987 362 I CA -0.559 60.648 61.300 -0.155 0.000 1.185 362 I CB 1.362 39.313 38.000 -0.082 0.000 1.341 362 I HN 0.466 nan 8.210 nan 0.000 0.455 363 Y N 6.315 126.644 120.300 0.048 0.000 2.364 363 Y HA 0.653 5.203 4.550 -0.001 0.000 0.340 363 Y C -0.357 175.565 175.900 0.035 0.000 0.975 363 Y CA -0.725 57.398 58.100 0.037 0.000 1.089 363 Y CB 1.605 40.096 38.460 0.052 0.000 1.192 363 Y HN 0.256 nan 8.280 nan 0.000 0.454 364 L N 3.583 124.895 121.223 0.149 0.000 2.370 364 L HA 0.549 4.888 4.340 -0.001 0.000 0.266 364 L C -0.697 176.238 176.870 0.108 0.000 1.002 364 L CA -1.562 53.331 54.840 0.089 0.000 0.818 364 L CB 1.740 43.712 42.059 -0.144 0.000 1.325 364 L HN 0.402 nan 8.230 nan 0.000 0.418 365 K N 1.292 121.777 120.400 0.140 0.000 2.368 365 K HA 0.226 4.546 4.320 -0.001 0.000 0.282 365 K C 0.591 177.244 176.600 0.087 0.000 1.035 365 K CA -0.054 56.297 56.287 0.106 0.000 0.973 365 K CB 1.444 34.009 32.500 0.108 0.000 0.957 365 K HN 0.765 nan 8.250 nan 0.000 0.474 366 A N 3.965 126.824 122.820 0.065 0.000 2.169 366 A HA 0.104 4.424 4.320 -0.001 0.000 0.212 366 A C 0.536 178.156 177.584 0.061 0.000 1.153 366 A CA 0.434 52.510 52.037 0.063 0.000 0.756 366 A CB -0.057 18.976 19.000 0.054 0.000 0.813 366 A HN 0.553 nan 8.150 nan 0.000 0.471 367 L N 0.352 121.602 121.223 0.044 0.000 2.313 367 L HA 0.245 4.585 4.340 -0.001 0.000 0.283 367 L C 1.563 178.433 176.870 -0.000 0.000 1.013 367 L CA -0.167 54.688 54.840 0.025 0.000 0.816 367 L CB 1.823 43.892 42.059 0.017 0.000 1.236 367 L HN 0.325 nan 8.230 nan 0.000 0.419 368 S N -0.014 115.672 115.700 -0.025 0.000 2.419 368 S HA -0.179 4.291 4.470 -0.001 0.000 0.233 368 S C 1.830 176.380 174.600 -0.083 0.000 1.016 368 S CA 1.152 59.304 58.200 -0.081 0.000 0.974 368 S CB -0.263 62.878 63.200 -0.099 0.000 0.786 368 S HN 0.798 nan 8.310 nan 0.000 0.492 369 S N 1.580 117.250 115.700 -0.050 0.000 2.453 369 S HA 0.026 4.495 4.470 -0.001 0.000 0.231 369 S C 1.507 176.092 174.600 -0.025 0.000 1.005 369 S CA 0.701 58.875 58.200 -0.043 0.000 0.949 369 S CB -0.471 62.710 63.200 -0.031 0.000 0.774 369 S HN 0.709 nan 8.310 nan 0.000 0.510 370 E N 1.103 121.297 120.200 -0.010 0.000 2.472 370 E HA 0.191 4.540 4.350 -0.001 0.000 0.196 370 E C -0.251 176.369 176.600 0.033 0.000 1.033 370 E CA -0.109 56.298 56.400 0.012 0.000 0.886 370 E CB 0.329 30.040 29.700 0.020 0.000 0.944 370 E HN 0.345 nan 8.360 nan 0.000 0.492 371 S N 1.759 117.463 115.700 0.007 0.000 3.483 371 S HA 0.247 4.716 4.470 -0.001 0.000 0.274 371 S C 0.035 174.695 174.600 0.100 0.000 1.289 371 S CA -0.027 58.193 58.200 0.033 0.000 0.938 371 S CB -0.219 62.887 63.200 -0.156 0.000 1.453 371 S HN 0.140 nan 8.310 nan 0.000 0.494 372 I N 1.938 122.603 120.570 0.158 0.000 2.412 372 I HA 0.238 4.408 4.170 -0.001 0.000 0.296 372 I C 0.581 176.758 176.117 0.099 0.000 0.987 372 I CA -0.803 60.580 61.300 0.138 0.000 1.180 372 I CB 1.274 39.313 38.000 0.065 0.000 1.340 372 I HN 0.343 nan 8.210 nan 0.000 0.455 373 E N 4.950 125.149 120.200 -0.001 0.000 2.502 373 E HA -0.055 4.295 4.350 -0.001 0.000 0.261 373 E C -0.298 176.243 176.600 -0.098 0.000 0.974 373 E CA 0.385 56.607 56.400 -0.297 0.000 0.936 373 E CB 0.604 30.220 29.700 -0.140 0.000 0.926 373 E HN 0.314 nan 8.360 nan 0.000 0.459 374 K N 4.773 125.123 120.400 -0.084 0.000 2.334 374 K HA 0.286 4.606 4.320 -0.001 0.000 0.265 374 K C -1.181 175.462 176.600 0.072 0.000 1.039 374 K CA -0.323 55.978 56.287 0.023 0.000 0.920 374 K CB 0.278 32.800 32.500 0.038 0.000 1.160 374 K HN 0.386 nan 8.250 nan 0.000 0.451 375 L N 5.732 126.991 121.223 0.059 0.000 2.346 375 L HA 0.585 4.924 4.340 -0.001 0.000 0.274 375 L C -1.968 174.920 176.870 0.031 0.000 1.007 375 L CA -2.201 52.673 54.840 0.057 0.000 0.818 375 L CB 1.694 43.799 42.059 0.077 0.000 1.284 375 L HN 0.622 nan 8.230 nan 0.000 0.424 376 P HA 0.340 nan 4.420 nan 0.000 0.284 376 P C -1.085 176.248 177.300 0.056 0.000 1.253 376 P CA -0.357 62.744 63.100 0.001 0.000 0.800 376 P CB 2.107 33.776 31.700 -0.051 0.000 0.961 377 V N 3.387 123.351 119.914 0.084 0.000 2.680 377 V HA 0.282 4.401 4.120 -0.001 0.000 0.309 377 V C -0.373 175.844 176.094 0.204 0.000 1.052 377 V CA -0.673 61.704 62.300 0.129 0.000 0.908 377 V CB 1.751 33.629 31.823 0.093 0.000 1.001 377 V HN 0.461 nan 8.190 nan 0.000 0.431 378 F N 6.623 126.629 119.950 0.093 0.000 2.375 378 F HA 0.571 5.098 4.527 -0.001 0.000 0.362 378 F C 0.179 176.045 175.800 0.110 0.000 1.129 378 F CA -0.555 57.523 58.000 0.129 0.000 1.154 378 F CB -0.022 39.051 39.000 0.121 0.000 1.205 378 F HN 0.785 nan 8.300 nan 0.000 0.513 379 N N 3.240 121.736 118.700 -0.340 0.000 3.157 379 N HA 0.248 4.987 4.740 -0.001 0.000 0.291 379 N C 0.430 175.790 175.510 -0.251 0.000 1.515 379 N CA -0.946 51.941 53.050 -0.271 0.000 0.807 379 N CB 0.678 39.121 38.487 -0.074 0.000 1.672 379 N HN 0.298 nan 8.380 nan 0.000 0.592 380 K N -0.175 120.160 120.400 -0.108 0.000 2.059 380 K HA -0.234 4.085 4.320 -0.001 0.000 0.212 380 K C 1.653 178.301 176.600 0.081 0.000 1.050 380 K CA 2.152 58.451 56.287 0.019 0.000 0.927 380 K CB -0.399 32.117 32.500 0.028 0.000 0.714 380 K HN 0.509 nan 8.250 nan 0.000 0.447 381 S N -0.062 115.670 115.700 0.053 0.000 2.354 381 S HA -0.211 4.259 4.470 -0.001 0.000 0.219 381 S C 2.030 176.729 174.600 0.165 0.000 1.035 381 S CA 1.719 59.979 58.200 0.100 0.000 1.037 381 S CB -0.544 62.704 63.200 0.081 0.000 0.956 381 S HN 0.497 nan 8.310 nan 0.000 0.428 382 A N 0.818 123.712 122.820 0.123 0.000 1.892 382 A HA -0.100 4.219 4.320 -0.001 0.000 0.218 382 A C 2.073 179.852 177.584 0.325 0.000 1.188 382 A CA 2.030 54.192 52.037 0.209 0.000 0.631 382 A CB -1.300 17.844 19.000 0.240 0.000 0.822 382 A HN 0.709 nan 8.150 nan 0.000 0.447 383 F N 0.931 120.934 119.950 0.089 0.000 2.161 383 F HA -0.148 4.378 4.527 -0.000 0.000 0.300 383 F C 2.034 177.949 175.800 0.191 0.000 1.089 383 F CA 1.915 60.040 58.000 0.209 0.000 1.282 383 F CB -0.320 38.669 39.000 -0.020 0.000 1.010 383 F HN 0.199 nan 8.300 nan 0.000 0.485 384 K N -0.996 119.394 120.400 -0.018 0.000 2.097 384 K HA -0.216 4.104 4.320 -0.001 0.000 0.206 384 K C 1.845 178.327 176.600 -0.196 0.000 1.049 384 K CA 1.779 57.965 56.287 -0.169 0.000 0.933 384 K CB -0.513 31.948 32.500 -0.066 0.000 0.717 384 K HN 0.341 nan 8.250 nan 0.000 0.442 385 H N -0.825 118.082 119.070 -0.272 0.000 2.421 385 H HA -0.064 4.492 4.556 -0.001 0.000 0.298 385 H C 0.307 175.356 175.328 -0.464 0.000 1.087 385 H CA 1.078 56.833 56.048 -0.488 0.000 1.330 385 H CB -0.108 29.092 29.762 -0.937 0.000 1.388 385 H HN 0.080 nan 8.280 nan 0.000 0.526 386 Y N 0.000 120.257 120.300 -0.072 0.000 2.660 386 Y HA 0.000 4.550 4.550 -0.001 0.000 0.201 386 Y CA 0.000 58.080 58.100 -0.034 0.000 1.940 386 Y CB 0.000 38.539 38.460 0.132 0.000 1.050 386 Y HN 0.000 nan 8.280 nan 0.000 0.758