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 2fun_1_B DATA FIRST_RESID 2222 DATA SEQUENCE LDKVYQMKSK PRGYCLIINN HNFAKAREKV PKLHSIRDRN GTHLDAGALT DATA SEQUENCE TTFEELHFEI KPHHDCTVEQ IYEILKIYQL MDHSNMDCFI CCILSHGDKG DATA SEQUENCE IIYGTDGQEA PIYELTSQFT GLKCPSLAGK PKVFFIQACQ GDNYQKGIPV DATA SEQUENCE ETDXXXXXXX XXXXXXXXTR YIPDEADFLL GMATVNNCVS YRNPAEGTWY DATA SEQUENCE IQSLCQSLRE RCPRGDDILT ILTEVNYEVS NKDDKKNMGK QMPQPTFTLR DATA SEQUENCE KKLVFPSD 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 2222 L HA 0.000 nan 4.340 nan 0.000 0.249 2222 L C 0.000 176.865 176.870 -0.008 0.000 1.165 2222 L CA 0.000 54.838 54.840 -0.003 0.000 0.813 2222 L CB 0.000 42.058 42.059 -0.002 0.000 0.961 2223 D N -0.968 119.426 120.400 -0.010 0.000 3.010 2223 D HA 0.419 5.059 4.640 0.000 0.000 0.353 2223 D C -1.869 174.416 176.300 -0.024 0.000 1.415 2223 D CA -0.338 53.650 54.000 -0.019 0.000 0.864 2223 D CB 2.206 42.993 40.800 -0.021 0.000 1.445 2223 D HN -0.147 nan 8.370 nan 0.000 0.516 2224 K N 0.714 121.090 120.400 -0.041 0.000 2.663 2224 K HA 0.436 4.756 4.320 0.000 0.000 0.267 2224 K C -1.797 174.744 176.600 -0.098 0.000 1.004 2224 K CA -0.451 55.804 56.287 -0.053 0.000 0.947 2224 K CB 1.203 33.670 32.500 -0.055 0.000 1.372 2224 K HN 0.315 nan 8.250 nan 0.000 0.411 2225 V N 0.094 119.961 119.914 -0.079 0.000 2.932 2225 V HA 0.611 4.731 4.120 0.000 0.000 0.307 2225 V C -0.943 175.155 176.094 0.006 0.000 1.147 2225 V CA -1.041 61.197 62.300 -0.103 0.000 0.951 2225 V CB 1.395 33.186 31.823 -0.054 0.000 1.031 2225 V HN 0.580 nan 8.190 nan 0.000 0.426 2226 Y N 1.914 122.205 120.300 -0.015 0.000 2.632 2226 Y HA 0.235 4.785 4.550 0.000 0.000 0.329 2226 Y C 1.028 176.933 175.900 0.008 0.000 1.174 2226 Y CA 0.169 58.269 58.100 -0.000 0.000 1.469 2226 Y CB 0.371 38.832 38.460 0.003 0.000 1.242 2226 Y HN 0.880 nan 8.280 nan 0.000 0.540 2227 Q N 3.408 123.318 119.800 0.184 0.000 2.289 2227 Q HA 0.076 4.416 4.340 0.000 0.000 0.273 2227 Q C -0.100 175.949 176.000 0.081 0.000 1.029 2227 Q CA 0.103 55.963 55.803 0.095 0.000 0.896 2227 Q CB 0.412 29.185 28.738 0.058 0.000 1.182 2227 Q HN 0.658 nan 8.270 nan 0.000 0.385 2228 M N 3.372 123.013 119.600 0.069 0.000 2.414 2228 M HA 0.111 4.591 4.480 0.000 0.000 0.357 2228 M C 0.586 176.886 176.300 0.000 0.000 1.059 2228 M CA 0.150 55.488 55.300 0.064 0.000 0.959 2228 M CB 0.242 32.926 32.600 0.141 0.000 1.522 2228 M HN 0.556 nan 8.290 nan 0.000 0.551 2229 K N 0.985 121.379 120.400 -0.011 0.000 1.991 2229 K HA -0.013 4.307 4.320 0.000 0.000 0.212 2229 K C 0.702 177.259 176.600 -0.071 0.000 1.049 2229 K CA 0.858 57.122 56.287 -0.040 0.000 0.932 2229 K CB -0.345 32.139 32.500 -0.026 0.000 0.717 2229 K HN 0.169 nan 8.250 nan 0.000 0.441 2230 S N 2.101 117.761 115.700 -0.067 0.000 4.045 2230 S HA -0.145 4.325 4.470 0.000 0.000 0.485 2230 S C 0.818 175.348 174.600 -0.117 0.000 1.097 2230 S CA 0.234 58.382 58.200 -0.087 0.000 0.930 2230 S CB 0.018 63.160 63.200 -0.097 0.000 0.685 2230 S HN 0.206 nan 8.310 nan 0.000 0.484 2231 K N 4.239 124.582 120.400 -0.096 0.000 1.980 2231 K HA -0.163 4.157 4.320 0.000 0.000 0.223 2231 K C -1.618 174.922 176.600 -0.101 0.000 1.052 2231 K CA 1.104 57.337 56.287 -0.090 0.000 0.974 2231 K CB -1.144 31.327 32.500 -0.049 0.000 0.734 2231 K HN 0.409 nan 8.250 nan 0.000 0.447 2232 P HA 0.101 nan 4.420 nan 0.000 0.268 2232 P C -0.181 176.952 177.300 -0.278 0.000 1.541 2232 P CA 0.056 63.054 63.100 -0.169 0.000 1.093 2232 P CB 0.823 32.428 31.700 -0.160 0.000 1.551 2233 R N 2.104 122.369 120.500 -0.391 0.000 2.196 2233 R HA -0.094 4.246 4.340 0.000 0.000 0.234 2233 R C 1.241 177.220 176.300 -0.534 0.000 1.113 2233 R CA 1.935 57.685 56.100 -0.583 0.000 0.899 2233 R CB -1.152 28.413 30.300 -1.224 0.000 0.863 2233 R HN 0.553 nan 8.270 nan 0.000 0.430 2234 G N -3.083 105.308 108.800 -0.681 0.000 2.495 2234 G HA2 0.413 4.373 3.960 0.000 0.000 0.294 2234 G HA3 0.413 4.373 3.960 0.000 0.000 0.294 2234 G C -1.518 173.302 174.900 -0.134 0.000 1.397 2234 G CA -0.836 44.090 45.100 -0.288 0.000 0.790 2234 G HN 0.054 nan 8.290 nan 0.000 0.486 2235 Y N -1.346 119.057 120.300 0.172 0.000 2.281 2235 Y HA 0.527 5.077 4.550 0.000 0.000 0.337 2235 Y C 0.921 176.740 175.900 -0.135 0.000 1.304 2235 Y CA -0.402 57.747 58.100 0.082 0.000 1.465 2235 Y CB 1.451 39.996 38.460 0.142 0.000 1.350 2235 Y HN 0.489 nan 8.280 nan 0.000 0.575 2236 C N 3.017 122.294 119.300 -0.037 0.000 3.493 2236 C HA 0.341 4.801 4.460 0.000 0.000 0.228 2236 C C -1.171 173.641 174.990 -0.297 0.000 1.227 2236 C CA -1.042 57.786 59.018 -0.316 0.000 1.291 2236 C CB -1.894 25.679 27.740 -0.278 0.000 1.820 2236 C HN 0.532 nan 8.230 nan 0.000 0.547 2237 L N 3.939 124.890 121.223 -0.453 0.000 2.791 2237 L HA 0.116 4.456 4.340 0.000 0.000 0.276 2237 L C 0.414 177.133 176.870 -0.251 0.000 1.136 2237 L CA 1.176 55.785 54.840 -0.386 0.000 1.008 2237 L CB -0.499 41.244 42.059 -0.527 0.000 1.348 2237 L HN 0.441 nan 8.230 nan 0.000 0.476 2238 I N 4.915 125.429 120.570 -0.093 0.000 2.310 2238 I HA 0.230 4.400 4.170 0.000 0.000 0.287 2238 I C 0.218 176.355 176.117 0.034 0.000 1.073 2238 I CA -0.214 61.066 61.300 -0.033 0.000 1.216 2238 I CB 0.354 38.363 38.000 0.016 0.000 1.415 2238 I HN 0.399 nan 8.210 nan 0.000 0.480 2239 I N 5.464 126.039 120.570 0.008 0.000 2.294 2239 I HA 0.081 4.251 4.170 0.000 0.000 0.295 2239 I C 0.199 176.363 176.117 0.079 0.000 1.098 2239 I CA -0.061 61.266 61.300 0.045 0.000 1.277 2239 I CB 0.168 38.168 38.000 0.001 0.000 1.434 2239 I HN 0.545 nan 8.210 nan 0.000 0.498 2240 N N 5.832 124.597 118.700 0.107 0.000 2.439 2240 N HA 0.185 4.925 4.740 0.000 0.000 0.249 2240 N C -0.729 174.882 175.510 0.169 0.000 1.003 2240 N CA -0.354 52.778 53.050 0.136 0.000 0.942 2240 N CB 0.541 39.109 38.487 0.136 0.000 1.115 2240 N HN 0.340 nan 8.380 nan 0.000 0.505 2241 N N 1.798 120.633 118.700 0.224 0.000 2.425 2241 N HA 0.122 4.862 4.740 0.000 0.000 0.268 2241 N C -0.002 175.788 175.510 0.466 0.000 0.991 2241 N CA -0.210 53.033 53.050 0.321 0.000 0.931 2241 N CB 1.282 40.003 38.487 0.390 0.000 1.130 2241 N HN 0.696 nan 8.380 nan 0.000 0.493 2242 H N 2.075 121.330 119.070 0.308 0.000 2.326 2242 H HA 0.224 4.780 4.556 0.000 0.000 0.272 2242 H C -0.212 175.301 175.328 0.308 0.000 0.949 2242 H CA 0.539 56.739 56.048 0.253 0.000 1.175 2242 H CB 0.201 30.057 29.762 0.156 0.000 1.462 2242 H HN 0.493 nan 8.280 nan 0.000 0.514 2243 N N 0.638 119.345 118.700 0.011 0.000 2.420 2243 N HA 0.071 4.811 4.740 0.000 0.000 0.249 2243 N C -1.445 174.183 175.510 0.196 0.000 1.033 2243 N CA -0.140 52.884 53.050 -0.044 0.000 0.944 2243 N CB -0.082 38.366 38.487 -0.065 0.000 1.113 2243 N HN 0.123 nan 8.380 nan 0.000 0.502 2244 F N 2.707 122.542 119.950 -0.192 0.000 2.925 2244 F HA 0.429 4.956 4.527 0.000 0.000 0.302 2244 F C 1.468 177.184 175.800 -0.140 0.000 1.189 2244 F CA -0.659 57.233 58.000 -0.181 0.000 1.346 2244 F CB -0.436 38.380 39.000 -0.306 0.000 0.954 2244 F HN 0.654 nan 8.300 nan 0.000 0.506 2245 A N 0.067 122.906 122.820 0.033 0.000 1.855 2245 A HA -0.115 4.205 4.320 0.000 0.000 0.215 2245 A C 2.505 180.086 177.584 -0.006 0.000 1.191 2245 A CA 1.201 53.241 52.037 0.006 0.000 0.613 2245 A CB -0.195 18.802 19.000 -0.004 0.000 0.829 2245 A HN 0.075 nan 8.150 nan 0.000 0.442 2246 K N -0.064 120.321 120.400 -0.025 0.000 2.160 2246 K HA -0.157 4.163 4.320 0.000 0.000 0.206 2246 K C 2.080 178.659 176.600 -0.034 0.000 1.047 2246 K CA 1.433 57.702 56.287 -0.031 0.000 0.930 2246 K CB -0.517 31.956 32.500 -0.046 0.000 0.720 2246 K HN 0.486 nan 8.250 nan 0.000 0.450 2247 A N 0.292 123.083 122.820 -0.049 0.000 1.935 2247 A HA -0.050 4.270 4.320 0.000 0.000 0.214 2247 A C 2.130 179.706 177.584 -0.012 0.000 1.178 2247 A CA 0.756 52.764 52.037 -0.047 0.000 0.640 2247 A CB -0.248 18.699 19.000 -0.087 0.000 0.825 2247 A HN 0.202 nan 8.150 nan 0.000 0.447 2248 R N -0.021 120.484 120.500 0.009 0.000 2.193 2248 R HA -0.119 4.221 4.340 0.000 0.000 0.229 2248 R C 1.836 178.166 176.300 0.051 0.000 1.110 2248 R CA 1.590 57.712 56.100 0.037 0.000 0.988 2248 R CB -0.078 30.237 30.300 0.026 0.000 0.871 2248 R HN 0.737 nan 8.270 nan 0.000 0.458 2249 E N -0.054 120.159 120.200 0.022 0.000 2.022 2249 E HA -0.062 4.288 4.350 0.000 0.000 0.190 2249 E C 1.517 178.118 176.600 0.003 0.000 0.973 2249 E CA 0.524 56.933 56.400 0.016 0.000 0.816 2249 E CB 0.037 29.741 29.700 0.007 0.000 0.781 2249 E HN 0.183 nan 8.360 nan 0.000 0.456 2250 K N 1.209 121.606 120.400 -0.005 0.000 1.992 2250 K HA -0.049 4.271 4.320 0.000 0.000 0.225 2250 K C 1.092 177.682 176.600 -0.016 0.000 1.020 2250 K CA 0.601 56.882 56.287 -0.010 0.000 1.042 2250 K CB -0.793 31.703 32.500 -0.008 0.000 0.772 2250 K HN 0.006 nan 8.250 nan 0.000 0.444 2251 V N 4.542 124.449 119.914 -0.012 0.000 2.628 2251 V HA -0.074 4.046 4.120 0.000 0.000 0.282 2251 V C -1.871 174.204 176.094 -0.033 0.000 0.968 2251 V CA -0.625 61.668 62.300 -0.013 0.000 1.171 2251 V CB 0.367 32.188 31.823 -0.004 0.000 0.899 2251 V HN 0.279 nan 8.190 nan 0.000 0.462 2252 P HA -0.214 nan 4.420 nan 0.000 0.214 2252 P C 1.540 178.711 177.300 -0.216 0.000 1.169 2252 P CA 2.201 65.191 63.100 -0.183 0.000 0.908 2252 P CB -0.033 31.567 31.700 -0.167 0.000 0.791 2253 K N -0.728 119.625 120.400 -0.078 0.000 2.113 2253 K HA -0.145 4.175 4.320 0.000 0.000 0.208 2253 K C 0.640 177.328 176.600 0.146 0.000 1.047 2253 K CA 1.432 57.736 56.287 0.028 0.000 0.928 2253 K CB -1.124 31.398 32.500 0.036 0.000 0.716 2253 K HN 0.114 nan 8.250 nan 0.000 0.446 2254 L N 2.980 124.243 121.223 0.066 0.000 2.998 2254 L HA 0.091 4.431 4.340 0.000 0.000 0.234 2254 L C 1.179 178.115 176.870 0.111 0.000 1.350 2254 L CA 0.190 55.044 54.840 0.023 0.000 1.202 2254 L CB -0.323 41.651 42.059 -0.140 0.000 1.583 2254 L HN 0.341 nan 8.230 nan 0.000 0.456 2255 H N -3.865 115.179 119.070 -0.044 0.000 2.639 2255 H HA 0.229 4.785 4.556 0.000 0.000 0.267 2255 H C 1.326 176.639 175.328 -0.025 0.000 0.958 2255 H CA 0.315 56.345 56.048 -0.030 0.000 1.221 2255 H CB 0.291 30.042 29.762 -0.019 0.000 1.446 2255 H HN 0.202 nan 8.280 nan 0.000 0.512 2256 S N 0.568 116.005 115.700 -0.437 0.000 2.602 2256 S HA 0.304 4.774 4.470 0.000 0.000 0.246 2256 S C 0.205 174.716 174.600 -0.148 0.000 1.009 2256 S CA -0.575 57.400 58.200 -0.376 0.000 1.052 2256 S CB -1.016 61.923 63.200 -0.433 0.000 0.778 2256 S HN 0.385 nan 8.310 nan 0.000 0.455 2257 I N 1.922 122.434 120.570 -0.097 0.000 2.377 2257 I HA 0.467 4.637 4.170 0.000 0.000 0.293 2257 I C 0.194 176.266 176.117 -0.075 0.000 0.987 2257 I CA -0.917 60.340 61.300 -0.070 0.000 1.185 2257 I CB 1.004 38.940 38.000 -0.108 0.000 1.341 2257 I HN 0.204 nan 8.210 nan 0.000 0.455 2258 R N 4.270 124.745 120.500 -0.042 0.000 2.527 2258 R HA 0.375 4.715 4.340 0.000 0.000 0.236 2258 R C -1.014 175.223 176.300 -0.106 0.000 1.257 2258 R CA -0.678 55.395 56.100 -0.046 0.000 1.088 2258 R CB 0.349 30.641 30.300 -0.013 0.000 1.396 2258 R HN 0.529 nan 8.270 nan 0.000 0.571 2259 D N -0.024 120.330 120.400 -0.078 0.000 2.272 2259 D HA 0.206 4.846 4.640 0.000 0.000 0.247 2259 D C -0.539 175.768 176.300 0.012 0.000 0.990 2259 D CA -0.439 53.483 54.000 -0.131 0.000 0.931 2259 D CB 1.036 41.714 40.800 -0.202 0.000 1.195 2259 D HN 0.133 nan 8.370 nan 0.000 0.477 2260 R N 2.120 122.659 120.500 0.065 0.000 2.893 2260 R HA 0.203 4.543 4.340 0.000 0.000 0.243 2260 R C -0.359 176.111 176.300 0.282 0.000 1.481 2260 R CA -0.373 55.811 56.100 0.141 0.000 1.250 2260 R CB -0.411 29.962 30.300 0.122 0.000 1.213 2260 R HN 0.249 nan 8.270 nan 0.000 0.609 2261 N N 0.807 119.627 118.700 0.201 0.000 2.520 2261 N HA 0.092 4.832 4.740 0.000 0.000 0.273 2261 N C 1.232 176.819 175.510 0.129 0.000 1.155 2261 N CA 0.907 54.050 53.050 0.155 0.000 0.967 2261 N CB 1.678 40.241 38.487 0.127 0.000 1.092 2261 N HN 0.757 nan 8.380 nan 0.000 0.457 2262 G N 1.261 110.170 108.800 0.181 0.000 2.232 2262 G HA2 -0.325 3.635 3.960 0.000 0.000 0.226 2262 G HA3 -0.325 3.635 3.960 0.000 0.000 0.226 2262 G C 1.123 176.157 174.900 0.224 0.000 0.996 2262 G CA 0.487 45.763 45.100 0.294 0.000 0.626 2262 G HN 0.530 nan 8.290 nan 0.000 0.509 2263 T N 1.884 116.545 114.554 0.179 0.000 2.714 2263 T HA -0.257 4.093 4.350 0.000 0.000 0.268 2263 T C 2.047 176.810 174.700 0.105 0.000 1.036 2263 T CA 2.277 64.453 62.100 0.127 0.000 1.148 2263 T CB -0.675 68.290 68.868 0.160 0.000 0.856 2263 T HN 0.927 nan 8.240 nan 0.000 0.462 2264 H N 1.715 120.770 119.070 -0.025 0.000 2.422 2264 H HA 0.005 4.561 4.556 0.000 0.000 0.298 2264 H C 2.127 177.450 175.328 -0.009 0.000 1.098 2264 H CA 1.133 57.168 56.048 -0.022 0.000 1.315 2264 H CB -1.033 28.694 29.762 -0.059 0.000 1.382 2264 H HN 0.361 nan 8.280 nan 0.000 0.523 2265 L N 0.508 121.297 121.223 -0.724 0.000 2.141 2265 L HA -0.131 4.209 4.340 0.000 0.000 0.209 2265 L C 1.989 178.734 176.870 -0.208 0.000 1.094 2265 L CA 1.375 55.906 54.840 -0.514 0.000 0.763 2265 L CB -0.215 41.574 42.059 -0.450 0.000 0.908 2265 L HN 0.184 nan 8.230 nan 0.000 0.437 2266 D N -0.094 120.233 120.400 -0.122 0.000 2.213 2266 D HA -0.036 4.604 4.640 0.000 0.000 0.205 2266 D C 2.245 178.523 176.300 -0.036 0.000 0.961 2266 D CA 1.173 55.136 54.000 -0.062 0.000 0.853 2266 D CB 0.073 40.863 40.800 -0.017 0.000 0.967 2266 D HN 0.224 nan 8.370 nan 0.000 0.496 2267 A N 0.798 123.611 122.820 -0.011 0.000 1.902 2267 A HA -0.017 4.303 4.320 0.000 0.000 0.217 2267 A C 2.278 179.865 177.584 0.006 0.000 1.181 2267 A CA 1.929 53.980 52.037 0.023 0.000 0.623 2267 A CB -0.923 18.113 19.000 0.060 0.000 0.818 2267 A HN 0.298 nan 8.150 nan 0.000 0.443 2268 G N -1.497 107.288 108.800 -0.025 0.000 2.712 2268 G HA2 0.258 4.218 3.960 0.000 0.000 0.212 2268 G HA3 0.258 4.218 3.960 0.000 0.000 0.212 2268 G C 1.396 176.264 174.900 -0.053 0.000 1.142 2268 G CA 1.057 46.140 45.100 -0.029 0.000 0.789 2268 G HN 0.700 nan 8.290 nan 0.000 0.535 2269 A N 0.581 123.359 122.820 -0.071 0.000 1.878 2269 A HA 0.292 4.612 4.320 0.000 0.000 0.213 2269 A C 2.273 179.794 177.584 -0.105 0.000 1.192 2269 A CA 0.548 52.529 52.037 -0.095 0.000 0.619 2269 A CB -0.277 18.659 19.000 -0.106 0.000 0.837 2269 A HN 0.282 nan 8.150 nan 0.000 0.446 2270 L N 0.345 121.529 121.223 -0.066 0.000 2.093 2270 L HA -0.145 4.195 4.340 0.000 0.000 0.208 2270 L C 2.938 179.830 176.870 0.038 0.000 1.085 2270 L CA 1.730 56.558 54.840 -0.020 0.000 0.755 2270 L CB -0.947 41.162 42.059 0.084 0.000 0.904 2270 L HN 0.604 nan 8.230 nan 0.000 0.435 2271 T N -3.772 110.799 114.554 0.029 0.000 2.684 2271 T HA -0.200 4.150 4.350 0.000 0.000 0.267 2271 T C 1.832 176.534 174.700 0.002 0.000 1.036 2271 T CA 1.885 64.009 62.100 0.041 0.000 1.148 2271 T CB -0.826 68.060 68.868 0.031 0.000 0.863 2271 T HN 0.195 nan 8.240 nan 0.000 0.436 2272 T N 2.067 116.596 114.554 -0.043 0.000 2.746 2272 T HA -0.105 4.245 4.350 0.000 0.000 0.267 2272 T C 2.273 176.903 174.700 -0.117 0.000 1.039 2272 T CA 1.847 63.906 62.100 -0.069 0.000 1.142 2272 T CB -0.913 67.909 68.868 -0.077 0.000 0.866 2272 T HN 0.564 nan 8.240 nan 0.000 0.444 2273 T N 1.949 116.384 114.554 -0.198 0.000 2.569 2273 T HA -0.059 4.291 4.350 0.000 0.000 0.263 2273 T C 1.342 175.808 174.700 -0.391 0.000 1.074 2273 T CA 1.099 62.981 62.100 -0.362 0.000 1.176 2273 T CB -0.694 67.811 68.868 -0.606 0.000 0.863 2273 T HN 0.283 nan 8.240 nan 0.000 0.410 2274 F N 1.521 121.364 119.950 -0.179 0.000 2.788 2274 F HA 0.166 4.693 4.527 0.000 0.000 0.300 2274 F C 1.999 177.779 175.800 -0.033 0.000 1.229 2274 F CA 0.027 57.896 58.000 -0.218 0.000 1.446 2274 F CB -0.584 38.171 39.000 -0.409 0.000 1.118 2274 F HN 0.127 nan 8.300 nan 0.000 0.579 2275 E N -0.037 120.190 120.200 0.045 0.000 2.094 2275 E HA -0.050 4.300 4.350 0.000 0.000 0.193 2275 E C 2.183 178.733 176.600 -0.083 0.000 0.950 2275 E CA 0.518 56.926 56.400 0.013 0.000 0.842 2275 E CB -0.119 29.568 29.700 -0.022 0.000 0.816 2275 E HN -0.006 nan 8.360 nan 0.000 0.465 2276 E N 0.369 120.505 120.200 -0.107 0.000 2.204 2276 E HA -0.095 4.255 4.350 0.000 0.000 0.195 2276 E C 1.241 177.777 176.600 -0.106 0.000 0.990 2276 E CA 0.525 56.830 56.400 -0.158 0.000 0.821 2276 E CB 0.017 29.665 29.700 -0.086 0.000 0.750 2276 E HN 0.279 nan 8.360 nan 0.000 0.477 2277 L N 0.601 121.854 121.223 0.050 0.000 2.660 2277 L HA 0.017 4.357 4.340 0.000 0.000 0.238 2277 L C -0.387 176.740 176.870 0.428 0.000 1.161 2277 L CA 0.016 55.021 54.840 0.276 0.000 0.937 2277 L CB -0.777 41.394 42.059 0.186 0.000 1.122 2277 L HN 0.177 nan 8.230 nan 0.000 0.435 2278 H N -2.211 116.930 119.070 0.120 0.000 2.692 2278 H HA -0.195 4.361 4.556 0.000 0.000 0.316 2278 H C -0.647 174.614 175.328 -0.111 0.000 1.176 2278 H CA 0.490 56.540 56.048 0.003 0.000 1.142 2278 H CB -2.319 27.403 29.762 -0.066 0.000 1.475 2278 H HN 0.141 nan 8.280 nan 0.000 0.423 2279 F N 0.041 119.994 119.950 0.006 0.000 2.469 2279 F HA 0.223 4.750 4.527 0.000 0.000 0.332 2279 F C 0.913 176.694 175.800 -0.032 0.000 1.103 2279 F CA -0.845 57.132 58.000 -0.039 0.000 0.979 2279 F CB 1.402 40.364 39.000 -0.065 0.000 1.137 2279 F HN 0.214 nan 8.300 nan 0.000 0.463 2280 E N 4.822 125.060 120.200 0.063 0.000 1.802 2280 E HA 0.157 4.507 4.350 0.000 0.000 0.265 2280 E C -0.137 176.575 176.600 0.187 0.000 1.168 2280 E CA -0.426 56.025 56.400 0.085 0.000 1.033 2280 E CB -0.005 29.694 29.700 -0.002 0.000 1.095 2280 E HN 0.345 nan 8.360 nan 0.000 0.436 2281 I N 3.218 123.884 120.570 0.160 0.000 2.880 2281 I HA -0.109 4.061 4.170 0.000 0.000 0.296 2281 I C 0.612 176.835 176.117 0.175 0.000 1.220 2281 I CA 0.935 62.317 61.300 0.137 0.000 1.435 2281 I CB 0.182 38.243 38.000 0.102 0.000 1.339 2281 I HN 0.433 nan 8.210 nan 0.000 0.583 2282 K N 5.895 126.390 120.400 0.158 0.000 2.920 2282 K HA 0.374 4.694 4.320 0.000 0.000 0.175 2282 K C -2.518 174.240 176.600 0.263 0.000 1.099 2282 K CA -1.692 54.729 56.287 0.224 0.000 0.939 2282 K CB 1.189 33.852 32.500 0.272 0.000 1.148 2282 K HN 0.235 nan 8.250 nan 0.000 0.613 2283 P HA 0.059 nan 4.420 nan 0.000 0.267 2283 P C -0.872 176.625 177.300 0.329 0.000 1.200 2283 P CA 0.209 63.444 63.100 0.225 0.000 0.772 2283 P CB 0.423 32.202 31.700 0.132 0.000 0.855 2284 H N 0.686 119.825 119.070 0.115 0.000 3.018 2284 H HA 0.173 4.729 4.556 0.000 0.000 0.334 2284 H C 0.834 176.245 175.328 0.137 0.000 0.983 2284 H CA -0.380 55.772 56.048 0.174 0.000 1.363 2284 H CB 0.468 30.297 29.762 0.111 0.000 1.668 2284 H HN 0.527 nan 8.280 nan 0.000 0.513 2285 H N 1.234 120.370 119.070 0.110 0.000 1.684 2285 H HA -0.092 4.464 4.556 0.000 0.000 0.352 2285 H C -0.660 174.745 175.328 0.128 0.000 2.462 2285 H CA 0.374 56.483 56.048 0.102 0.000 1.225 2285 H CB -0.186 29.614 29.762 0.063 0.000 1.488 2285 H HN 0.502 nan 8.280 nan 0.000 0.361 2286 D N 0.043 120.430 120.400 -0.022 0.000 2.365 2286 D HA 0.273 4.913 4.640 0.000 0.000 0.237 2286 D C -0.481 175.628 176.300 -0.319 0.000 1.190 2286 D CA -0.086 53.871 54.000 -0.071 0.000 0.867 2286 D CB -0.007 40.836 40.800 0.072 0.000 1.050 2286 D HN 0.424 nan 8.370 nan 0.000 0.491 2287 C N 2.019 121.133 119.300 -0.310 0.000 2.366 2287 C HA 0.689 5.149 4.460 0.000 0.000 0.345 2287 C C 0.885 175.795 174.990 -0.134 0.000 1.209 2287 C CA -0.858 58.005 59.018 -0.258 0.000 2.050 2287 C CB 0.813 28.440 27.740 -0.189 0.000 2.359 2287 C HN 0.689 nan 8.230 nan 0.000 0.527 2288 T N -0.463 114.049 114.554 -0.071 0.000 2.934 2288 T HA 0.405 4.755 4.350 0.000 0.000 0.283 2288 T C 1.189 175.889 174.700 -0.000 0.000 1.005 2288 T CA -0.638 61.429 62.100 -0.054 0.000 1.041 2288 T CB 0.811 69.665 68.868 -0.022 0.000 1.042 2288 T HN 0.402 nan 8.240 nan 0.000 0.505 2289 V N 1.163 121.089 119.914 0.021 0.000 2.236 2289 V HA -0.294 3.826 4.120 0.000 0.000 0.255 2289 V C 2.741 178.954 176.094 0.197 0.000 1.068 2289 V CA 2.597 64.953 62.300 0.094 0.000 1.044 2289 V CB -1.213 30.696 31.823 0.143 0.000 0.653 2289 V HN 1.105 nan 8.190 nan 0.000 0.448 2290 E N -0.437 119.864 120.200 0.168 0.000 2.097 2290 E HA -0.304 4.046 4.350 0.000 0.000 0.196 2290 E C 2.304 179.004 176.600 0.166 0.000 1.000 2290 E CA 1.892 58.395 56.400 0.171 0.000 0.804 2290 E CB -0.103 29.651 29.700 0.090 0.000 0.740 2290 E HN 0.768 nan 8.360 nan 0.000 0.454 2291 Q N 0.147 120.019 119.800 0.119 0.000 2.016 2291 Q HA -0.140 4.200 4.340 0.000 0.000 0.200 2291 Q C 2.419 178.491 176.000 0.119 0.000 0.978 2291 Q CA 1.443 57.317 55.803 0.119 0.000 0.833 2291 Q CB -0.151 28.648 28.738 0.102 0.000 0.895 2291 Q HN 0.371 nan 8.270 nan 0.000 0.427 2292 I N 0.061 120.671 120.570 0.067 0.000 2.087 2292 I HA -0.365 3.805 4.170 0.000 0.000 0.240 2292 I C 2.098 178.233 176.117 0.030 0.000 1.054 2292 I CA 1.627 62.930 61.300 0.005 0.000 1.311 2292 I CB -0.394 37.552 38.000 -0.091 0.000 1.024 2292 I HN 0.212 nan 8.210 nan 0.000 0.402 2293 Y N 1.134 121.472 120.300 0.062 0.000 2.151 2293 Y HA -0.293 4.257 4.550 0.000 0.000 0.284 2293 Y C 2.597 178.534 175.900 0.062 0.000 1.166 2293 Y CA 1.813 59.949 58.100 0.058 0.000 1.163 2293 Y CB -0.472 38.006 38.460 0.031 0.000 0.974 2293 Y HN 0.269 nan 8.280 nan 0.000 0.511 2294 E N -0.192 120.142 120.200 0.223 0.000 2.047 2294 E HA -0.188 4.162 4.350 0.000 0.000 0.191 2294 E C 2.206 178.896 176.600 0.150 0.000 0.987 2294 E CA 1.547 58.038 56.400 0.152 0.000 0.799 2294 E CB -0.390 29.385 29.700 0.126 0.000 0.752 2294 E HN 0.469 nan 8.360 nan 0.000 0.449 2295 I N 1.335 122.004 120.570 0.164 0.000 2.194 2295 I HA -0.312 3.858 4.170 0.000 0.000 0.246 2295 I C 2.462 178.734 176.117 0.258 0.000 1.093 2295 I CA 1.187 62.598 61.300 0.186 0.000 1.355 2295 I CB -0.327 37.724 38.000 0.086 0.000 1.046 2295 I HN 0.122 nan 8.210 nan 0.000 0.413 2296 L N 0.513 121.880 121.223 0.239 0.000 2.109 2296 L HA -0.157 4.183 4.340 0.000 0.000 0.207 2296 L C 2.571 179.561 176.870 0.200 0.000 1.086 2296 L CA 1.133 56.188 54.840 0.360 0.000 0.760 2296 L CB -0.469 41.799 42.059 0.348 0.000 0.910 2296 L HN 0.253 nan 8.230 nan 0.000 0.437 2297 K N 0.758 121.227 120.400 0.114 0.000 2.442 2297 K HA -0.124 4.196 4.320 0.000 0.000 0.198 2297 K C 1.806 178.415 176.600 0.014 0.000 1.042 2297 K CA 0.814 57.113 56.287 0.020 0.000 0.958 2297 K CB 0.107 32.630 32.500 0.039 0.000 0.766 2297 K HN 0.301 nan 8.250 nan 0.000 0.474 2298 I N -0.380 120.228 120.570 0.064 0.000 2.296 2298 I HA -0.180 3.990 4.170 0.000 0.000 0.242 2298 I C 1.180 177.270 176.117 -0.044 0.000 1.087 2298 I CA 0.727 62.013 61.300 -0.023 0.000 1.393 2298 I CB -0.160 37.794 38.000 -0.076 0.000 1.093 2298 I HN 0.054 nan 8.210 nan 0.000 0.421 2299 Y N 1.146 121.507 120.300 0.102 0.000 2.619 2299 Y HA -0.094 4.456 4.550 0.000 0.000 0.308 2299 Y C 2.378 178.413 175.900 0.225 0.000 1.192 2299 Y CA 0.645 58.857 58.100 0.187 0.000 1.319 2299 Y CB -0.323 38.326 38.460 0.316 0.000 1.030 2299 Y HN 0.296 nan 8.280 nan 0.000 0.517 2300 Q N -0.257 119.618 119.800 0.126 0.000 2.394 2300 Q HA 0.035 4.375 4.340 0.000 0.000 0.218 2300 Q C 1.349 177.334 176.000 -0.025 0.000 0.907 2300 Q CA 0.499 56.247 55.803 -0.091 0.000 0.919 2300 Q CB 0.134 28.658 28.738 -0.356 0.000 1.051 2300 Q HN 0.529 nan 8.270 nan 0.000 0.538 2301 L N 0.528 121.740 121.223 -0.019 0.000 2.591 2301 L HA 0.244 4.584 4.340 0.000 0.000 0.228 2301 L C 1.197 178.061 176.870 -0.009 0.000 1.133 2301 L CA -0.156 54.671 54.840 -0.022 0.000 0.880 2301 L CB -0.029 42.007 42.059 -0.038 0.000 1.033 2301 L HN 0.228 nan 8.230 nan 0.000 0.450 2302 M N 0.332 119.936 119.600 0.008 0.000 2.228 2302 M HA 0.058 4.538 4.480 0.000 0.000 0.326 2302 M C 0.176 176.456 176.300 -0.034 0.000 1.122 2302 M CA 0.153 55.422 55.300 -0.052 0.000 1.161 2302 M CB 0.783 33.309 32.600 -0.125 0.000 1.437 2302 M HN -0.036 nan 8.290 nan 0.000 0.465 2303 D N 0.838 121.180 120.400 -0.096 0.000 2.210 2303 D HA 0.096 4.736 4.640 0.000 0.000 0.249 2303 D C -0.440 175.758 176.300 -0.170 0.000 1.078 2303 D CA 0.055 54.025 54.000 -0.051 0.000 0.875 2303 D CB 0.640 41.424 40.800 -0.026 0.000 1.175 2303 D HN 0.634 nan 8.370 nan 0.000 0.440 2304 H N 1.862 120.973 119.070 0.068 0.000 2.662 2304 H HA 0.047 4.603 4.556 0.000 0.000 0.268 2304 H C 1.674 177.017 175.328 0.024 0.000 1.152 2304 H CA 0.087 56.181 56.048 0.076 0.000 1.072 2304 H CB 0.782 30.590 29.762 0.078 0.000 1.660 2304 H HN 0.435 nan 8.280 nan 0.000 0.584 2305 S N 1.184 116.933 115.700 0.081 0.000 2.359 2305 S HA -0.184 4.286 4.470 0.000 0.000 0.224 2305 S C 1.539 176.150 174.600 0.019 0.000 1.035 2305 S CA 1.149 59.373 58.200 0.040 0.000 1.018 2305 S CB -0.231 62.980 63.200 0.018 0.000 0.876 2305 S HN 0.443 nan 8.310 nan 0.000 0.448 2306 N N 1.600 120.303 118.700 0.004 0.000 2.571 2306 N HA 0.064 4.804 4.740 0.000 0.000 0.189 2306 N C -0.036 175.452 175.510 -0.037 0.000 1.154 2306 N CA 0.604 53.641 53.050 -0.021 0.000 0.907 2306 N CB -0.205 38.264 38.487 -0.031 0.000 0.977 2306 N HN 0.479 nan 8.380 nan 0.000 0.449 2307 M N 0.616 120.213 119.600 -0.006 0.000 2.336 2307 M HA 0.237 4.717 4.480 0.000 0.000 0.342 2307 M C -0.176 176.125 176.300 0.002 0.000 1.128 2307 M CA -0.270 55.021 55.300 -0.015 0.000 1.016 2307 M CB 1.653 34.304 32.600 0.084 0.000 1.665 2307 M HN -0.220 nan 8.290 nan 0.000 0.445 2308 D N 1.055 121.432 120.400 -0.038 0.000 2.402 2308 D HA 0.228 4.868 4.640 0.000 0.000 0.216 2308 D C -0.250 176.044 176.300 -0.010 0.000 1.128 2308 D CA 0.339 54.325 54.000 -0.023 0.000 0.833 2308 D CB 0.733 41.523 40.800 -0.018 0.000 0.971 2308 D HN 0.610 nan 8.370 nan 0.000 0.503 2309 C N 0.329 119.636 119.300 0.013 0.000 3.283 2309 C HA 0.622 5.082 4.460 0.000 0.000 0.359 2309 C C -2.168 172.913 174.990 0.152 0.000 1.160 2309 C CA -1.089 57.979 59.018 0.084 0.000 1.232 2309 C CB 0.455 28.332 27.740 0.228 0.000 1.571 2309 C HN 0.103 nan 8.230 nan 0.000 0.522 2310 F N 5.979 125.877 119.950 -0.087 0.000 2.536 2310 F HA 0.853 5.380 4.527 0.000 0.000 0.322 2310 F C -1.040 174.541 175.800 -0.365 0.000 1.144 2310 F CA -0.785 57.099 58.000 -0.193 0.000 0.924 2310 F CB 0.957 39.744 39.000 -0.354 0.000 1.181 2310 F HN 0.595 nan 8.300 nan 0.000 0.438 2311 I N 5.896 125.762 120.570 -1.174 0.000 2.569 2311 I HA 0.476 4.646 4.170 0.000 0.000 0.296 2311 I C -1.152 174.065 176.117 -1.501 0.000 1.028 2311 I CA -0.954 59.587 61.300 -1.264 0.000 1.082 2311 I CB 1.999 39.337 38.000 -1.102 0.000 1.264 2311 I HN 0.689 nan 8.210 nan 0.000 0.429 2312 C N 5.419 123.910 119.300 -1.349 0.000 2.481 2312 C HA 0.696 5.156 4.460 0.000 0.000 0.324 2312 C C -0.709 173.973 174.990 -0.515 0.000 1.170 2312 C CA -0.373 58.043 59.018 -1.004 0.000 1.361 2312 C CB 0.167 27.163 27.740 -1.240 0.000 1.977 2312 C HN 0.912 nan 8.230 nan 0.000 0.459 2313 C N 6.406 125.549 119.300 -0.261 0.000 2.364 2313 C HA 0.609 5.069 4.460 0.000 0.000 0.324 2313 C C -0.322 174.682 174.990 0.023 0.000 1.234 2313 C CA -0.539 58.470 59.018 -0.015 0.000 1.417 2313 C CB -0.057 27.707 27.740 0.041 0.000 2.101 2313 C HN 0.794 nan 8.230 nan 0.000 0.466 2314 I N 4.257 124.883 120.570 0.094 0.000 2.378 2314 I HA 0.472 4.642 4.170 0.000 0.000 0.291 2314 I C -0.684 175.507 176.117 0.123 0.000 0.992 2314 I CA -0.274 61.081 61.300 0.091 0.000 1.154 2314 I CB 1.131 39.184 38.000 0.089 0.000 1.315 2314 I HN 0.446 nan 8.210 nan 0.000 0.448 2315 L N 6.550 127.848 121.223 0.126 0.000 2.342 2315 L HA 0.688 5.028 4.340 0.000 0.000 0.276 2315 L C -0.185 176.806 176.870 0.203 0.000 0.997 2315 L CA -0.214 54.714 54.840 0.146 0.000 0.838 2315 L CB 1.509 43.647 42.059 0.132 0.000 1.224 2315 L HN 0.744 nan 8.230 nan 0.000 0.416 2316 S N 0.945 116.778 115.700 0.223 0.000 2.655 2316 S HA 0.299 4.769 4.470 0.000 0.000 0.263 2316 S C -1.133 173.674 174.600 0.344 0.000 1.091 2316 S CA -0.886 57.549 58.200 0.392 0.000 0.865 2316 S CB 0.829 64.338 63.200 0.514 0.000 1.146 2316 S HN 0.653 nan 8.310 nan 0.000 0.482 2317 H N -0.052 119.181 119.070 0.271 0.000 2.671 2317 H HA 0.562 5.118 4.556 0.000 0.000 0.372 2317 H C 0.806 176.335 175.328 0.334 0.000 1.227 2317 H CA 0.197 56.367 56.048 0.203 0.000 1.426 2317 H CB 0.845 30.702 29.762 0.158 0.000 1.480 2317 H HN 0.964 nan 8.280 nan 0.000 0.611 2318 G N -0.459 108.582 108.800 0.402 0.000 2.634 2318 G HA2 0.295 4.255 3.960 0.000 0.000 0.309 2318 G HA3 0.295 4.255 3.960 0.000 0.000 0.309 2318 G C -1.634 173.369 174.900 0.172 0.000 1.299 2318 G CA -0.330 44.905 45.100 0.225 0.000 0.798 2318 G HN 0.611 nan 8.290 nan 0.000 0.490 2319 D N -0.827 119.576 120.400 0.005 0.000 2.807 2319 D HA 0.137 4.777 4.640 0.000 0.000 0.279 2319 D C -0.681 175.590 176.300 -0.047 0.000 1.247 2319 D CA -0.685 53.319 54.000 0.008 0.000 0.749 2319 D CB 1.655 42.500 40.800 0.075 0.000 1.264 2319 D HN 0.504 nan 8.370 nan 0.000 0.421 2320 K N 0.929 121.308 120.400 -0.034 0.000 2.326 2320 K HA -0.142 4.178 4.320 0.000 0.000 0.241 2320 K C 0.772 177.341 176.600 -0.052 0.000 1.208 2320 K CA 1.483 57.746 56.287 -0.040 0.000 1.219 2320 K CB -1.149 31.334 32.500 -0.028 0.000 0.717 2320 K HN 0.667 nan 8.250 nan 0.000 0.526 2321 G N 3.546 112.315 108.800 -0.050 0.000 2.402 2321 G HA2 -0.261 3.699 3.960 0.000 0.000 0.300 2321 G HA3 -0.261 3.699 3.960 0.000 0.000 0.300 2321 G C -0.018 174.847 174.900 -0.059 0.000 0.987 2321 G CA 0.933 46.004 45.100 -0.048 0.000 0.881 2321 G HN 0.833 nan 8.290 nan 0.000 0.512 2322 I N -3.385 117.131 120.570 -0.090 0.000 2.969 2322 I HA 0.847 5.017 4.170 0.000 0.000 0.307 2322 I C -0.471 175.557 176.117 -0.147 0.000 1.149 2322 I CA -2.423 58.795 61.300 -0.138 0.000 1.008 2322 I CB 1.875 39.735 38.000 -0.234 0.000 1.232 2322 I HN -0.045 nan 8.210 nan 0.000 0.435 2323 I N 4.368 124.853 120.570 -0.142 0.000 2.493 2323 I HA 0.330 4.500 4.170 0.000 0.000 0.279 2323 I C -1.042 175.053 176.117 -0.036 0.000 1.045 2323 I CA -0.566 60.703 61.300 -0.051 0.000 1.106 2323 I CB 0.986 38.986 38.000 0.001 0.000 1.216 2323 I HN 0.521 nan 8.210 nan 0.000 0.459 2324 Y N 3.882 124.249 120.300 0.112 0.000 2.652 2324 Y HA 0.317 4.867 4.550 0.000 0.000 0.344 2324 Y C 1.234 177.124 175.900 -0.017 0.000 1.254 2324 Y CA 0.542 58.692 58.100 0.084 0.000 1.480 2324 Y CB 0.608 39.186 38.460 0.197 0.000 1.345 2324 Y HN 0.552 nan 8.280 nan 0.000 0.617 2325 G N 0.137 108.957 108.800 0.034 0.000 2.644 2325 G HA2 0.322 4.282 3.960 0.000 0.000 0.307 2325 G HA3 0.322 4.282 3.960 0.000 0.000 0.307 2325 G C 0.564 175.160 174.900 -0.507 0.000 1.250 2325 G CA -0.524 44.468 45.100 -0.179 0.000 0.996 2325 G HN 0.566 nan 8.290 nan 0.000 0.489 2326 T N 0.821 115.062 114.554 -0.522 0.000 2.649 2326 T HA -0.240 4.110 4.350 0.000 0.000 0.268 2326 T C 2.110 176.571 174.700 -0.397 0.000 1.036 2326 T CA 2.314 64.070 62.100 -0.575 0.000 1.157 2326 T CB -0.352 68.361 68.868 -0.259 0.000 0.861 2326 T HN 0.781 nan 8.240 nan 0.000 0.445 2327 D N 0.769 121.039 120.400 -0.215 0.000 2.104 2327 D HA -0.048 4.592 4.640 0.000 0.000 0.194 2327 D C 1.803 178.043 176.300 -0.100 0.000 0.994 2327 D CA 1.581 55.513 54.000 -0.112 0.000 0.830 2327 D CB -0.533 40.241 40.800 -0.043 0.000 0.959 2327 D HN 0.617 nan 8.370 nan 0.000 0.452 2328 G N -0.176 108.576 108.800 -0.080 0.000 2.227 2328 G HA2 -0.176 3.784 3.960 0.000 0.000 0.168 2328 G HA3 -0.176 3.784 3.960 0.000 0.000 0.168 2328 G C -0.008 174.998 174.900 0.176 0.000 1.006 2328 G CA -0.175 44.915 45.100 -0.017 0.000 0.684 2328 G HN 0.396 nan 8.290 nan 0.000 0.489 2329 Q N 1.421 121.330 119.800 0.183 0.000 2.235 2329 Q HA 0.395 4.735 4.340 0.000 0.000 0.256 2329 Q C 0.801 176.908 176.000 0.178 0.000 0.951 2329 Q CA -0.438 55.483 55.803 0.197 0.000 0.890 2329 Q CB 1.177 29.976 28.738 0.101 0.000 1.279 2329 Q HN 0.680 nan 8.270 nan 0.000 0.444 2330 E N 0.908 121.132 120.200 0.040 0.000 2.585 2330 E HA 0.430 4.780 4.350 0.000 0.000 0.256 2330 E C -0.773 175.804 176.600 -0.038 0.000 1.383 2330 E CA -0.431 55.851 56.400 -0.197 0.000 1.029 2330 E CB 0.415 29.944 29.700 -0.286 0.000 1.044 2330 E HN 0.507 nan 8.360 nan 0.000 0.595 2331 A N 0.867 123.652 122.820 -0.058 0.000 2.517 2331 A HA 0.345 4.665 4.320 0.000 0.000 0.300 2331 A C -2.713 174.874 177.584 0.005 0.000 1.225 2331 A CA -1.107 50.959 52.037 0.049 0.000 0.883 2331 A CB 0.373 19.375 19.000 0.002 0.000 1.459 2331 A HN 0.272 nan 8.150 nan 0.000 0.437 2332 P HA -0.012 nan 4.420 nan 0.000 0.261 2332 P C 1.204 178.519 177.300 0.025 0.000 1.158 2332 P CA 0.344 63.464 63.100 0.034 0.000 0.758 2332 P CB 0.391 32.142 31.700 0.084 0.000 0.763 2333 I N 2.480 123.046 120.570 -0.007 0.000 2.208 2333 I HA -0.313 3.857 4.170 0.000 0.000 0.245 2333 I C 2.069 178.149 176.117 -0.062 0.000 1.097 2333 I CA 1.587 62.858 61.300 -0.047 0.000 1.363 2333 I CB -0.543 37.425 38.000 -0.054 0.000 1.051 2333 I HN 0.442 nan 8.210 nan 0.000 0.413 2334 Y N 2.303 122.542 120.300 -0.102 0.000 2.151 2334 Y HA -0.296 4.254 4.550 0.000 0.000 0.284 2334 Y C 2.406 178.267 175.900 -0.066 0.000 1.166 2334 Y CA 1.766 59.798 58.100 -0.112 0.000 1.163 2334 Y CB -0.267 38.142 38.460 -0.085 0.000 0.974 2334 Y HN 0.229 nan 8.280 nan 0.000 0.511 2335 E N -0.186 119.973 120.200 -0.068 0.000 2.418 2335 E HA -0.105 4.245 4.350 0.000 0.000 0.197 2335 E C 2.020 178.619 176.600 -0.001 0.000 1.026 2335 E CA 1.021 57.407 56.400 -0.023 0.000 0.862 2335 E CB -0.040 29.802 29.700 0.235 0.000 0.799 2335 E HN 0.549 nan 8.360 nan 0.000 0.518 2336 L N -0.128 121.037 121.223 -0.097 0.000 2.262 2336 L HA -0.004 4.336 4.340 0.000 0.000 0.197 2336 L C 2.686 179.537 176.870 -0.032 0.000 1.073 2336 L CA 0.998 55.797 54.840 -0.067 0.000 0.800 2336 L CB -0.456 41.541 42.059 -0.104 0.000 0.987 2336 L HN 0.039 nan 8.230 nan 0.000 0.470 2337 T N -1.550 112.816 114.554 -0.315 0.000 2.867 2337 T HA -0.160 4.190 4.350 0.000 0.000 0.268 2337 T C 1.961 176.488 174.700 -0.288 0.000 1.057 2337 T CA 1.607 63.344 62.100 -0.606 0.000 1.136 2337 T CB -0.037 68.305 68.868 -0.876 0.000 0.874 2337 T HN 0.177 nan 8.240 nan 0.000 0.466 2338 S N -0.069 115.390 115.700 -0.402 0.000 2.607 2338 S HA 0.065 4.535 4.470 0.000 0.000 0.224 2338 S C 1.927 176.446 174.600 -0.135 0.000 0.969 2338 S CA 0.190 58.168 58.200 -0.370 0.000 0.927 2338 S CB -0.373 62.318 63.200 -0.849 0.000 0.772 2338 S HN 0.493 nan 8.310 nan 0.000 0.533 2339 Q N -0.338 119.431 119.800 -0.052 0.000 2.369 2339 Q HA 0.045 4.385 4.340 0.000 0.000 0.206 2339 Q C -0.296 175.449 176.000 -0.425 0.000 0.963 2339 Q CA 0.798 56.479 55.803 -0.202 0.000 0.894 2339 Q CB 0.025 28.633 28.738 -0.218 0.000 0.965 2339 Q HN 0.660 nan 8.270 nan 0.000 0.475 2340 F N 0.328 120.358 119.950 0.133 0.000 2.928 2340 F HA 0.132 4.660 4.527 0.000 0.000 0.337 2340 F C 0.993 176.888 175.800 0.158 0.000 1.259 2340 F CA -0.620 57.445 58.000 0.109 0.000 1.267 2340 F CB -0.041 39.041 39.000 0.137 0.000 0.986 2340 F HN -0.189 nan 8.300 nan 0.000 0.507 2341 T N -2.701 112.000 114.554 0.244 0.000 2.681 2341 T HA 0.259 4.609 4.350 0.000 0.000 0.333 2341 T C 1.737 176.509 174.700 0.119 0.000 1.049 2341 T CA 0.109 62.361 62.100 0.253 0.000 1.002 2341 T CB 0.570 69.529 68.868 0.152 0.000 1.161 2341 T HN 0.281 nan 8.240 nan 0.000 0.519 2342 G N -0.775 108.087 108.800 0.103 0.000 2.430 2342 G HA2 0.053 4.013 3.960 0.000 0.000 0.216 2342 G HA3 0.053 4.013 3.960 0.000 0.000 0.216 2342 G C 1.460 176.378 174.900 0.030 0.000 1.146 2342 G CA 0.165 45.293 45.100 0.048 0.000 0.793 2342 G HN 0.606 nan 8.290 nan 0.000 0.537 2343 L N -0.002 121.246 121.223 0.041 0.000 1.993 2343 L HA 0.001 4.341 4.340 0.000 0.000 0.206 2343 L C 2.945 179.814 176.870 -0.001 0.000 1.074 2343 L CA 1.224 56.078 54.840 0.024 0.000 0.746 2343 L CB -0.379 41.699 42.059 0.032 0.000 0.896 2343 L HN 0.116 nan 8.230 nan 0.000 0.435 2344 K N -1.002 119.389 120.400 -0.016 0.000 2.113 2344 K HA -0.186 4.135 4.320 0.000 0.000 0.208 2344 K C 0.675 177.230 176.600 -0.075 0.000 1.047 2344 K CA 0.969 57.219 56.287 -0.061 0.000 0.928 2344 K CB -0.150 32.286 32.500 -0.106 0.000 0.716 2344 K HN 0.286 nan 8.250 nan 0.000 0.446 2345 C N 1.222 120.490 119.300 -0.052 0.000 2.653 2345 C HA 0.334 4.794 4.460 0.000 0.000 0.291 2345 C C -2.075 172.905 174.990 -0.016 0.000 1.064 2345 C CA -2.027 56.965 59.018 -0.043 0.000 1.469 2345 C CB 0.630 28.328 27.740 -0.070 0.000 1.861 2345 C HN 0.168 nan 8.230 nan 0.000 0.434 2346 P HA -0.081 nan 4.420 nan 0.000 0.220 2346 P C 1.591 178.891 177.300 0.000 0.000 1.148 2346 P CA 1.312 64.408 63.100 -0.006 0.000 0.803 2346 P CB 0.247 31.943 31.700 -0.006 0.000 0.782 2347 S N -0.475 115.241 115.700 0.027 0.000 2.382 2347 S HA -0.061 4.409 4.470 0.000 0.000 0.228 2347 S C 1.595 176.218 174.600 0.039 0.000 1.027 2347 S CA 1.034 59.271 58.200 0.061 0.000 0.991 2347 S CB -0.881 62.409 63.200 0.149 0.000 0.823 2347 S HN 0.180 nan 8.310 nan 0.000 0.469 2348 L N 1.139 122.349 121.223 -0.022 0.000 2.592 2348 L HA 0.287 4.627 4.340 0.000 0.000 0.227 2348 L C 0.859 177.675 176.870 -0.089 0.000 1.127 2348 L CA -0.431 54.353 54.840 -0.094 0.000 0.884 2348 L CB -0.372 41.558 42.059 -0.215 0.000 1.065 2348 L HN 0.152 nan 8.230 nan 0.000 0.457 2349 A N 0.362 123.150 122.820 -0.053 0.000 2.515 2349 A HA 0.412 4.732 4.320 0.000 0.000 0.263 2349 A C 1.375 178.929 177.584 -0.051 0.000 1.096 2349 A CA 0.767 52.777 52.037 -0.045 0.000 0.769 2349 A CB -0.366 18.617 19.000 -0.027 0.000 1.040 2349 A HN 0.564 nan 8.150 nan 0.000 0.505 2350 G N 2.203 110.967 108.800 -0.060 0.000 2.194 2350 G HA2 -0.205 3.755 3.960 0.000 0.000 0.236 2350 G HA3 -0.205 3.755 3.960 0.000 0.000 0.236 2350 G C 0.168 174.979 174.900 -0.148 0.000 0.987 2350 G CA 0.499 45.569 45.100 -0.051 0.000 0.635 2350 G HN 0.810 nan 8.290 nan 0.000 0.520 2351 K N 1.896 122.179 120.400 -0.196 0.000 2.182 2351 K HA 0.511 4.831 4.320 0.000 0.000 0.262 2351 K C -2.514 173.860 176.600 -0.377 0.000 0.957 2351 K CA -2.084 54.032 56.287 -0.285 0.000 0.842 2351 K CB 2.416 34.827 32.500 -0.147 0.000 1.099 2351 K HN 0.034 nan 8.250 nan 0.000 0.438 2352 P HA -0.022 nan 4.420 nan 0.000 0.263 2352 P C -1.250 175.932 177.300 -0.197 0.000 1.195 2352 P CA 0.085 62.944 63.100 -0.401 0.000 0.762 2352 P CB 0.434 31.912 31.700 -0.370 0.000 0.799 2353 K N 2.768 123.029 120.400 -0.231 0.000 2.389 2353 K HA 0.416 4.736 4.320 0.000 0.000 0.261 2353 K C -0.488 176.050 176.600 -0.103 0.000 1.014 2353 K CA -0.848 55.331 56.287 -0.180 0.000 0.920 2353 K CB 1.448 33.734 32.500 -0.357 0.000 1.149 2353 K HN 0.215 nan 8.250 nan 0.000 0.444 2354 V N 4.081 123.826 119.914 -0.282 0.000 2.472 2354 V HA 0.470 4.590 4.120 0.000 0.000 0.290 2354 V C -0.640 175.023 176.094 -0.718 0.000 1.037 2354 V CA -0.687 61.383 62.300 -0.383 0.000 0.908 2354 V CB 0.491 32.033 31.823 -0.469 0.000 0.985 2354 V HN 0.508 nan 8.190 nan 0.000 0.454 2355 F N 4.065 123.705 119.950 -0.517 0.000 2.547 2355 F HA 0.688 5.215 4.527 0.000 0.000 0.316 2355 F C -0.664 174.874 175.800 -0.437 0.000 1.121 2355 F CA -0.619 57.139 58.000 -0.403 0.000 0.911 2355 F CB 1.911 40.839 39.000 -0.120 0.000 1.179 2355 F HN 0.274 nan 8.300 nan 0.000 0.443 2356 F N 4.434 124.473 119.950 0.149 0.000 2.445 2356 F HA 0.512 5.039 4.527 0.000 0.000 0.348 2356 F C -0.189 175.727 175.800 0.194 0.000 1.125 2356 F CA -1.157 56.972 58.000 0.215 0.000 0.983 2356 F CB 1.339 40.436 39.000 0.163 0.000 1.198 2356 F HN 0.216 nan 8.300 nan 0.000 0.436 2357 I N 3.561 124.346 120.570 0.358 0.000 2.347 2357 I HA 0.193 4.363 4.170 0.000 0.000 0.283 2357 I C -0.291 175.920 176.117 0.156 0.000 1.058 2357 I CA -0.797 60.627 61.300 0.207 0.000 1.202 2357 I CB 1.090 39.161 38.000 0.117 0.000 1.386 2357 I HN 0.414 nan 8.210 nan 0.000 0.475 2358 Q N 6.266 126.177 119.800 0.185 0.000 2.423 2358 Q HA 0.647 4.987 4.340 0.000 0.000 0.235 2358 Q C -0.937 175.103 176.000 0.066 0.000 1.100 2358 Q CA -0.121 55.765 55.803 0.138 0.000 0.908 2358 Q CB 0.719 29.562 28.738 0.174 0.000 1.312 2358 Q HN 0.752 nan 8.270 nan 0.000 0.497 2359 A N 2.333 125.154 122.820 0.003 0.000 2.586 2359 A HA 0.576 4.896 4.320 0.000 0.000 0.290 2359 A C -0.854 176.679 177.584 -0.085 0.000 1.086 2359 A CA -0.743 51.284 52.037 -0.016 0.000 0.665 2359 A CB 0.561 19.590 19.000 0.047 0.000 1.279 2359 A HN 0.652 nan 8.150 nan 0.000 0.423 2360 C N -0.337 118.908 119.300 -0.092 0.000 2.553 2360 C HA 0.590 5.050 4.460 0.000 0.000 0.345 2360 C C 0.673 175.610 174.990 -0.089 0.000 1.369 2360 C CA 0.267 59.202 59.018 -0.138 0.000 2.447 2360 C CB 0.666 28.322 27.740 -0.139 0.000 2.358 2360 C HN 0.767 nan 8.230 nan 0.000 0.676 2361 Q N 0.207 119.944 119.800 -0.105 0.000 1.906 2361 Q HA 0.284 4.624 4.340 0.000 0.000 0.199 2361 Q C -0.113 175.845 176.000 -0.070 0.000 0.816 2361 Q CA 0.306 56.064 55.803 -0.075 0.000 0.951 2361 Q CB 0.800 29.490 28.738 -0.079 0.000 1.246 2361 Q HN 1.112 nan 8.270 nan 0.000 0.407 2362 G N -0.084 108.669 108.800 -0.079 0.000 2.320 2362 G HA2 0.160 4.120 3.960 0.000 0.000 0.297 2362 G HA3 0.160 4.120 3.960 0.000 0.000 0.297 2362 G C -0.933 173.902 174.900 -0.108 0.000 1.344 2362 G CA -0.474 44.584 45.100 -0.069 0.000 0.851 2362 G HN -0.066 nan 8.290 nan 0.000 0.567 2363 D N -0.221 120.128 120.400 -0.085 0.000 2.417 2363 D HA 0.072 4.712 4.640 0.000 0.000 0.207 2363 D C 0.319 176.539 176.300 -0.133 0.000 1.075 2363 D CA -0.039 53.896 54.000 -0.108 0.000 0.851 2363 D CB 0.301 41.089 40.800 -0.020 0.000 0.976 2363 D HN 0.273 nan 8.370 nan 0.000 0.505 2364 N N 1.104 119.757 118.700 -0.078 0.000 2.525 2364 N HA 0.076 4.816 4.740 0.000 0.000 0.271 2364 N C -0.458 175.013 175.510 -0.065 0.000 1.194 2364 N CA 0.043 53.102 53.050 0.014 0.000 0.964 2364 N CB 0.568 39.077 38.487 0.037 0.000 1.126 2364 N HN 0.011 nan 8.380 nan 0.000 0.452 2365 Y N 0.168 120.468 120.300 -0.000 0.000 2.323 2365 Y HA 0.171 4.721 4.550 0.000 0.000 0.331 2365 Y C 0.849 176.774 175.900 0.042 0.000 1.092 2365 Y CA -0.733 57.382 58.100 0.024 0.000 1.150 2365 Y CB 0.824 39.325 38.460 0.068 0.000 1.200 2365 Y HN 0.392 nan 8.280 nan 0.000 0.472 2366 Q N 3.292 123.203 119.800 0.186 0.000 2.295 2366 Q HA 0.206 4.546 4.340 0.000 0.000 0.259 2366 Q C -0.589 175.509 176.000 0.163 0.000 0.976 2366 Q CA -0.235 55.654 55.803 0.142 0.000 0.923 2366 Q CB 0.523 29.332 28.738 0.118 0.000 1.185 2366 Q HN 0.532 nan 8.270 nan 0.000 0.410 2367 K N 1.638 122.111 120.400 0.121 0.000 2.156 2367 K HA 0.451 4.771 4.320 0.000 0.000 0.242 2367 K C -0.176 176.483 176.600 0.098 0.000 1.033 2367 K CA 0.247 56.595 56.287 0.101 0.000 0.878 2367 K CB 0.574 33.117 32.500 0.072 0.000 1.057 2367 K HN 0.804 nan 8.250 nan 0.000 0.505 2368 G N 1.667 110.516 108.800 0.081 0.000 2.730 2368 G HA2 0.451 4.411 3.960 0.000 0.000 0.291 2368 G HA3 0.451 4.411 3.960 0.000 0.000 0.291 2368 G C -0.694 174.239 174.900 0.056 0.000 1.456 2368 G CA -0.630 44.515 45.100 0.076 0.000 0.996 2368 G HN 0.476 nan 8.290 nan 0.000 0.528 2369 I N 0.922 121.523 120.570 0.051 0.000 2.532 2369 I HA 0.659 4.829 4.170 0.000 0.000 0.292 2369 I C -2.296 173.844 176.117 0.037 0.000 1.014 2369 I CA -2.867 58.457 61.300 0.040 0.000 1.340 2369 I CB 0.360 38.381 38.000 0.036 0.000 1.422 2369 I HN 0.140 nan 8.210 nan 0.000 0.528 2370 P HA 0.165 nan 4.420 nan 0.000 0.276 2370 P C 0.541 177.857 177.300 0.026 0.000 1.264 2370 P CA -0.354 62.763 63.100 0.027 0.000 0.769 2370 P CB 1.385 33.097 31.700 0.020 0.000 0.840 2371 V N 2.739 122.671 119.914 0.030 0.000 2.346 2371 V HA -0.110 4.010 4.120 0.000 0.000 0.244 2371 V C 0.361 176.468 176.094 0.021 0.000 1.037 2371 V CA 1.202 63.519 62.300 0.027 0.000 1.029 2371 V CB -0.774 31.070 31.823 0.035 0.000 0.663 2371 V HN 0.745 nan 8.190 nan 0.000 0.454 2372 E N 1.402 121.615 120.200 0.022 0.000 2.305 2372 E HA -0.130 4.220 4.350 0.000 0.000 0.242 2372 E C 0.242 176.852 176.600 0.016 0.000 1.143 2372 E CA 0.947 57.357 56.400 0.017 0.000 0.716 2372 E CB -2.458 27.250 29.700 0.013 0.000 1.255 2372 E HN 0.964 nan 8.360 nan 0.000 0.391 2373 T N -3.912 110.655 114.554 0.022 0.000 2.641 2373 T HA 0.357 4.707 4.350 0.000 0.000 0.268 2373 T C -0.616 174.104 174.700 0.034 0.000 1.567 2373 T CA -0.237 61.875 62.100 0.020 0.000 1.026 2373 T CB 1.421 70.295 68.868 0.010 0.000 2.004 2373 T HN -0.012 nan 8.240 nan 0.000 0.423 2391 R N 0.912 121.445 120.500 0.055 0.000 2.867 2391 R HA 0.641 4.981 4.340 0.000 0.000 0.227 2391 R C -1.221 175.139 176.300 0.100 0.000 1.372 2391 R CA -0.525 55.661 56.100 0.143 0.000 1.083 2391 R CB -0.064 30.324 30.300 0.146 0.000 1.596 2391 R HN 0.176 nan 8.270 nan 0.000 0.522 2392 Y N 0.096 120.413 120.300 0.028 0.000 2.342 2392 Y HA 0.480 5.030 4.550 0.000 0.000 0.334 2392 Y C 0.629 176.551 175.900 0.037 0.000 1.067 2392 Y CA -0.944 57.175 58.100 0.031 0.000 1.128 2392 Y CB 1.168 39.645 38.460 0.027 0.000 1.200 2392 Y HN 0.466 nan 8.280 nan 0.000 0.464 2393 I N 1.645 122.311 120.570 0.159 0.000 2.797 2393 I HA 0.671 4.841 4.170 0.000 0.000 0.307 2393 I C -2.300 173.894 176.117 0.127 0.000 1.033 2393 I CA -2.592 58.783 61.300 0.125 0.000 1.071 2393 I CB 1.308 39.365 38.000 0.095 0.000 1.255 2393 I HN 0.355 nan 8.210 nan 0.000 0.445 2394 P HA -0.032 nan 4.420 nan 0.000 0.269 2394 P C -0.220 177.151 177.300 0.118 0.000 1.211 2394 P CA 0.220 63.387 63.100 0.111 0.000 0.781 2394 P CB 0.834 32.596 31.700 0.105 0.000 0.877 2395 D N 0.200 120.669 120.400 0.116 0.000 2.224 2395 D HA -0.112 4.528 4.640 0.000 0.000 0.205 2395 D C 0.766 177.167 176.300 0.168 0.000 0.965 2395 D CA 1.133 55.206 54.000 0.121 0.000 0.852 2395 D CB 0.167 41.030 40.800 0.104 0.000 0.947 2395 D HN 0.459 nan 8.370 nan 0.000 0.494 2396 E N -0.097 120.215 120.200 0.187 0.000 2.499 2396 E HA 0.357 4.707 4.350 0.000 0.000 0.207 2396 E C -0.198 176.618 176.600 0.360 0.000 1.034 2396 E CA -0.450 56.124 56.400 0.289 0.000 1.098 2396 E CB 1.043 30.841 29.700 0.164 0.000 1.148 2396 E HN 0.219 nan 8.360 nan 0.000 0.447 2397 A N 1.347 124.322 122.820 0.259 0.000 2.246 2397 A HA 0.247 4.567 4.320 0.000 0.000 0.291 2397 A C 0.144 177.850 177.584 0.203 0.000 1.103 2397 A CA -0.357 51.821 52.037 0.234 0.000 0.844 2397 A CB 0.314 19.416 19.000 0.170 0.000 1.136 2397 A HN 0.357 nan 8.150 nan 0.000 0.500 2398 D N -1.576 118.954 120.400 0.216 0.000 2.705 2398 D HA -0.153 4.487 4.640 0.000 0.000 0.240 2398 D C -1.133 175.180 176.300 0.021 0.000 1.137 2398 D CA 1.188 55.271 54.000 0.138 0.000 0.677 2398 D CB -1.362 39.404 40.800 -0.056 0.000 1.049 2398 D HN 0.308 nan 8.370 nan 0.000 0.427 2399 F N 0.387 120.454 119.950 0.195 0.000 2.493 2399 F HA 0.512 5.039 4.527 0.000 0.000 0.329 2399 F C -0.048 175.884 175.800 0.220 0.000 1.126 2399 F CA -1.049 57.061 58.000 0.183 0.000 0.937 2399 F CB 1.632 40.713 39.000 0.135 0.000 1.146 2399 F HN -0.024 nan 8.300 nan 0.000 0.442 2400 L N 6.086 127.560 121.223 0.419 0.000 2.356 2400 L HA 0.729 5.069 4.340 0.000 0.000 0.277 2400 L C -2.000 175.042 176.870 0.287 0.000 0.996 2400 L CA -0.891 54.142 54.840 0.321 0.000 0.822 2400 L CB 1.562 43.735 42.059 0.190 0.000 1.256 2400 L HN 0.495 nan 8.230 nan 0.000 0.413 2401 L N 5.040 126.418 121.223 0.258 0.000 2.415 2401 L HA 0.772 5.112 4.340 0.000 0.000 0.268 2401 L C -0.145 176.861 176.870 0.227 0.000 0.984 2401 L CA -0.088 54.872 54.840 0.200 0.000 0.853 2401 L CB 1.433 43.564 42.059 0.120 0.000 1.215 2401 L HN 0.735 nan 8.230 nan 0.000 0.419 2402 G N 5.614 114.597 108.800 0.305 0.000 2.356 2402 G HA2 0.464 4.424 3.960 0.000 0.000 0.300 2402 G HA3 0.464 4.424 3.960 0.000 0.000 0.300 2402 G C -0.277 174.794 174.900 0.286 0.000 1.107 2402 G CA -0.524 44.884 45.100 0.513 0.000 0.960 2402 G HN 0.406 nan 8.290 nan 0.000 0.418 2403 M N 3.118 122.733 119.600 0.025 0.000 2.061 2403 M HA 0.262 4.742 4.480 0.000 0.000 0.346 2403 M C 1.435 177.404 176.300 -0.551 0.000 1.112 2403 M CA -1.145 54.058 55.300 -0.161 0.000 1.021 2403 M CB 1.099 33.651 32.600 -0.080 0.000 1.530 2403 M HN 0.598 nan 8.290 nan 0.000 0.437 2404 A N 3.371 125.770 122.820 -0.702 0.000 2.042 2404 A HA -0.091 4.229 4.320 0.000 0.000 0.222 2404 A C 1.150 178.477 177.584 -0.429 0.000 1.167 2404 A CA 2.267 53.783 52.037 -0.868 0.000 0.649 2404 A CB -0.204 18.627 19.000 -0.282 0.000 0.809 2404 A HN 0.751 nan 8.150 nan 0.000 0.457 2405 T N -2.914 111.480 114.554 -0.268 0.000 2.840 2405 T HA 0.451 4.801 4.350 0.000 0.000 0.317 2405 T C -0.126 174.512 174.700 -0.104 0.000 1.401 2405 T CA -0.132 61.877 62.100 -0.151 0.000 1.028 2405 T CB 0.809 69.587 68.868 -0.151 0.000 1.317 2405 T HN 1.105 nan 8.240 nan 0.000 0.495 2406 V N 2.472 122.350 119.914 -0.059 0.000 3.681 2406 V HA 0.403 4.523 4.120 0.000 0.000 0.298 2406 V C 0.814 176.878 176.094 -0.051 0.000 1.097 2406 V CA -0.396 61.881 62.300 -0.038 0.000 1.125 2406 V CB -0.072 31.744 31.823 -0.012 0.000 1.140 2406 V HN 1.039 nan 8.190 nan 0.000 0.476 2407 N N 0.828 119.504 118.700 -0.039 0.000 2.445 2407 N HA 0.174 4.914 4.740 0.000 0.000 0.264 2407 N C 0.605 176.089 175.510 -0.042 0.000 1.227 2407 N CA 0.225 53.249 53.050 -0.043 0.000 0.963 2407 N CB 0.189 38.655 38.487 -0.035 0.000 1.188 2407 N HN 0.940 nan 8.380 nan 0.000 0.491 2408 N N -1.262 117.410 118.700 -0.046 0.000 2.961 2408 N HA -0.197 4.543 4.740 0.000 0.000 0.223 2408 N C -0.760 174.711 175.510 -0.065 0.000 0.866 2408 N CA 0.834 53.858 53.050 -0.043 0.000 1.030 2408 N CB -1.303 37.170 38.487 -0.023 0.000 1.037 2408 N HN 0.380 nan 8.380 nan 0.000 0.608 2409 C N 0.317 119.565 119.300 -0.086 0.000 2.451 2409 C HA 0.766 5.226 4.460 0.000 0.000 0.391 2409 C C 1.016 175.875 174.990 -0.219 0.000 1.286 2409 C CA -0.884 58.055 59.018 -0.131 0.000 1.935 2409 C CB 1.615 29.303 27.740 -0.087 0.000 2.188 2409 C HN 0.191 nan 8.230 nan 0.000 0.523 2410 V N 0.054 119.763 119.914 -0.341 0.000 2.612 2410 V HA 0.724 4.844 4.120 0.000 0.000 0.301 2410 V C -0.032 175.699 176.094 -0.605 0.000 1.046 2410 V CA -0.115 61.883 62.300 -0.503 0.000 0.946 2410 V CB 1.428 32.812 31.823 -0.732 0.000 1.003 2410 V HN 0.872 nan 8.190 nan 0.000 0.459 2411 S N 2.556 117.917 115.700 -0.565 0.000 2.617 2411 S HA 0.704 5.174 4.470 0.000 0.000 0.283 2411 S C -1.175 172.952 174.600 -0.787 0.000 1.189 2411 S CA -0.378 57.503 58.200 -0.532 0.000 1.036 2411 S CB 0.703 63.716 63.200 -0.313 0.000 1.014 2411 S HN 0.656 nan 8.310 nan 0.000 0.522 2412 Y N 2.133 122.009 120.300 -0.707 0.000 2.341 2412 Y HA 0.530 5.080 4.550 0.000 0.000 0.338 2412 Y C 0.480 175.921 175.900 -0.765 0.000 0.965 2412 Y CA -0.673 56.841 58.100 -0.977 0.000 1.108 2412 Y CB 1.382 38.575 38.460 -2.110 0.000 1.180 2412 Y HN 0.626 nan 8.280 nan 0.000 0.458 2413 R N 3.074 123.440 120.500 -0.224 0.000 2.476 2413 R HA 0.411 4.752 4.340 0.000 0.000 0.305 2413 R C -1.465 174.864 176.300 0.048 0.000 0.965 2413 R CA -0.702 55.356 56.100 -0.071 0.000 0.867 2413 R CB 0.864 31.122 30.300 -0.070 0.000 1.176 2413 R HN 0.774 nan 8.270 nan 0.000 0.447 2414 N N 5.415 124.201 118.700 0.143 0.000 2.425 2414 N HA 0.273 5.013 4.740 0.000 0.000 0.268 2414 N C -1.643 173.932 175.510 0.109 0.000 0.991 2414 N CA -1.978 51.168 53.050 0.161 0.000 0.931 2414 N CB 1.570 40.193 38.487 0.228 0.000 1.130 2414 N HN 0.333 nan 8.380 nan 0.000 0.493 2415 P HA -0.192 nan 4.420 nan 0.000 0.216 2415 P C 0.571 177.930 177.300 0.098 0.000 1.150 2415 P CA 1.206 64.362 63.100 0.093 0.000 0.837 2415 P CB 0.240 31.987 31.700 0.078 0.000 0.786 2416 A N 0.090 122.957 122.820 0.078 0.000 1.874 2416 A HA -0.105 4.215 4.320 0.000 0.000 0.214 2416 A C 2.150 179.758 177.584 0.040 0.000 1.189 2416 A CA 1.357 53.431 52.037 0.061 0.000 0.615 2416 A CB -0.805 18.222 19.000 0.045 0.000 0.830 2416 A HN 0.173 nan 8.150 nan 0.000 0.443 2417 E N -1.856 118.367 120.200 0.039 0.000 2.132 2417 E HA 0.411 4.761 4.350 0.000 0.000 0.193 2417 E C 1.034 177.636 176.600 0.003 0.000 0.951 2417 E CA 0.416 56.823 56.400 0.013 0.000 0.843 2417 E CB 0.288 29.998 29.700 0.017 0.000 0.807 2417 E HN 0.627 nan 8.360 nan 0.000 0.467 2418 G N 0.363 109.194 108.800 0.052 0.000 2.332 2418 G HA2 -0.006 3.954 3.960 0.000 0.000 0.265 2418 G HA3 -0.006 3.954 3.960 0.000 0.000 0.265 2418 G C -0.855 174.120 174.900 0.126 0.000 1.329 2418 G CA -0.406 44.721 45.100 0.045 0.000 0.949 2418 G HN 0.153 nan 8.290 nan 0.000 0.476 2419 T N -1.625 113.001 114.554 0.120 0.000 2.902 2419 T HA 0.506 4.856 4.350 0.000 0.000 0.283 2419 T C 1.026 175.917 174.700 0.318 0.000 1.009 2419 T CA 0.126 62.330 62.100 0.174 0.000 1.051 2419 T CB 1.465 70.385 68.868 0.087 0.000 0.999 2419 T HN 0.616 nan 8.240 nan 0.000 0.474 2420 W N 0.795 122.144 121.300 0.082 0.000 2.304 2420 W HA -0.096 4.564 4.660 0.000 0.000 0.328 2420 W C 2.130 178.707 176.519 0.096 0.000 1.242 2420 W CA 1.024 58.417 57.345 0.079 0.000 1.243 2420 W CB -1.872 27.660 29.460 0.119 0.000 1.170 2420 W HN 0.903 nan 8.180 nan 0.000 0.460 2421 Y N 1.058 121.515 120.300 0.261 0.000 1.956 2421 Y HA -0.336 4.214 4.550 0.000 0.000 0.258 2421 Y C 2.474 178.399 175.900 0.041 0.000 1.152 2421 Y CA 2.271 60.445 58.100 0.124 0.000 1.093 2421 Y CB -1.164 37.345 38.460 0.083 0.000 0.945 2421 Y HN -0.191 nan 8.280 nan 0.000 0.488 2422 I N 0.559 121.091 120.570 -0.063 0.000 2.236 2422 I HA -0.367 3.804 4.170 0.000 0.000 0.249 2422 I C 2.306 178.300 176.117 -0.205 0.000 1.102 2422 I CA 1.726 62.888 61.300 -0.230 0.000 1.365 2422 I CB -1.331 36.639 38.000 -0.050 0.000 1.051 2422 I HN 0.499 nan 8.210 nan 0.000 0.420 2423 Q N -0.024 119.729 119.800 -0.079 0.000 2.083 2423 Q HA -0.067 4.273 4.340 0.000 0.000 0.198 2423 Q C 2.452 178.382 176.000 -0.117 0.000 0.969 2423 Q CA 1.352 57.107 55.803 -0.080 0.000 0.838 2423 Q CB -0.245 28.487 28.738 -0.010 0.000 0.900 2423 Q HN 0.453 nan 8.270 nan 0.000 0.436 2424 S N 1.489 117.131 115.700 -0.096 0.000 2.368 2424 S HA -0.106 4.364 4.470 0.000 0.000 0.224 2424 S C 1.917 176.407 174.600 -0.184 0.000 1.029 2424 S CA 0.602 58.740 58.200 -0.103 0.000 0.988 2424 S CB -0.278 62.906 63.200 -0.026 0.000 0.838 2424 S HN 0.213 nan 8.310 nan 0.000 0.462 2425 L N 1.398 122.423 121.223 -0.330 0.000 2.129 2425 L HA -0.147 4.193 4.340 0.000 0.000 0.212 2425 L C 2.039 178.698 176.870 -0.353 0.000 1.087 2425 L CA 1.606 56.174 54.840 -0.453 0.000 0.757 2425 L CB -0.863 40.700 42.059 -0.827 0.000 0.896 2425 L HN 0.358 nan 8.230 nan 0.000 0.434 2426 C N -1.777 117.338 119.300 -0.308 0.000 2.602 2426 C HA -0.049 4.411 4.460 0.000 0.000 0.282 2426 C C 2.604 177.474 174.990 -0.200 0.000 1.313 2426 C CA 0.453 59.302 59.018 -0.282 0.000 1.699 2426 C CB -0.650 26.934 27.740 -0.260 0.000 2.124 2426 C HN 0.605 nan 8.230 nan 0.000 0.509 2427 Q N 1.129 120.834 119.800 -0.158 0.000 2.217 2427 Q HA -0.200 4.140 4.340 0.000 0.000 0.209 2427 Q C 2.022 177.961 176.000 -0.103 0.000 0.988 2427 Q CA 1.945 57.677 55.803 -0.118 0.000 0.878 2427 Q CB -0.030 28.646 28.738 -0.103 0.000 0.909 2427 Q HN 0.668 nan 8.270 nan 0.000 0.424 2428 S N -0.065 115.570 115.700 -0.108 0.000 2.439 2428 S HA 0.041 4.511 4.470 0.000 0.000 0.224 2428 S C 1.752 176.308 174.600 -0.073 0.000 1.029 2428 S CA 0.036 58.191 58.200 -0.076 0.000 0.946 2428 S CB 0.138 63.301 63.200 -0.060 0.000 0.797 2428 S HN 0.293 nan 8.310 nan 0.000 0.504 2429 L N 2.132 123.285 121.223 -0.116 0.000 2.013 2429 L HA 0.007 4.347 4.340 0.000 0.000 0.204 2429 L C 2.679 179.493 176.870 -0.092 0.000 1.081 2429 L CA 1.150 55.929 54.840 -0.102 0.000 0.751 2429 L CB -0.373 41.565 42.059 -0.201 0.000 0.901 2429 L HN 0.267 nan 8.230 nan 0.000 0.440 2430 R N -0.248 120.162 120.500 -0.149 0.000 2.332 2430 R HA -0.235 4.105 4.340 0.000 0.000 0.239 2430 R C 1.664 177.922 176.300 -0.070 0.000 1.160 2430 R CA 1.705 57.731 56.100 -0.124 0.000 1.020 2430 R CB -0.352 29.858 30.300 -0.150 0.000 0.859 2430 R HN 0.429 nan 8.270 nan 0.000 0.478 2431 E N 1.134 121.299 120.200 -0.058 0.000 2.290 2431 E HA 0.035 4.385 4.350 0.000 0.000 0.199 2431 E C 1.574 178.164 176.600 -0.017 0.000 0.912 2431 E CA 0.166 56.544 56.400 -0.037 0.000 0.924 2431 E CB 0.166 29.842 29.700 -0.041 0.000 0.901 2431 E HN 0.362 nan 8.360 nan 0.000 0.487 2432 R N -0.286 120.206 120.500 -0.013 0.000 2.240 2432 R HA 0.092 4.432 4.340 0.000 0.000 0.203 2432 R C 2.271 178.581 176.300 0.017 0.000 1.011 2432 R CA 0.551 56.651 56.100 0.000 0.000 1.007 2432 R CB -0.073 30.227 30.300 -0.000 0.000 0.911 2432 R HN 0.202 nan 8.270 nan 0.000 0.468 2433 C N 0.370 119.690 119.300 0.034 0.000 2.435 2433 C HA 0.007 4.467 4.460 0.000 0.000 0.279 2433 C C -0.575 174.455 174.990 0.065 0.000 1.321 2433 C CA 0.221 59.287 59.018 0.079 0.000 1.752 2433 C CB -0.872 26.950 27.740 0.135 0.000 1.959 2433 C HN 0.316 nan 8.230 nan 0.000 0.500 2434 P HA -0.092 nan 4.420 nan 0.000 0.215 2434 P C 0.984 178.300 177.300 0.027 0.000 1.157 2434 P CA 1.281 64.403 63.100 0.036 0.000 0.863 2434 P CB -0.137 31.575 31.700 0.020 0.000 0.787 2435 R N -0.357 120.153 120.500 0.017 0.000 2.535 2435 R HA 0.263 4.603 4.340 0.000 0.000 0.233 2435 R C 0.618 176.922 176.300 0.007 0.000 1.202 2435 R CA 0.324 56.430 56.100 0.009 0.000 1.205 2435 R CB -1.072 29.230 30.300 0.004 0.000 1.153 2435 R HN 0.097 nan 8.270 nan 0.000 0.512 2436 G N 2.126 110.934 108.800 0.014 0.000 2.334 2436 G HA2 -0.243 3.717 3.960 0.000 0.000 0.279 2436 G HA3 -0.243 3.717 3.960 0.000 0.000 0.279 2436 G C -1.013 173.878 174.900 -0.016 0.000 0.918 2436 G CA 0.157 45.259 45.100 0.003 0.000 1.314 2436 G HN 0.310 nan 8.290 nan 0.000 0.463 2437 D N 0.711 121.098 120.400 -0.021 0.000 2.481 2437 D HA 0.397 5.037 4.640 0.000 0.000 0.244 2437 D C 0.593 176.850 176.300 -0.071 0.000 1.057 2437 D CA -0.465 53.512 54.000 -0.037 0.000 0.848 2437 D CB 1.401 42.188 40.800 -0.021 0.000 1.388 2437 D HN 0.443 nan 8.370 nan 0.000 0.475 2438 D N 0.965 121.309 120.400 -0.094 0.000 2.369 2438 D HA -0.027 4.613 4.640 0.000 0.000 0.241 2438 D C 1.217 177.447 176.300 -0.117 0.000 1.271 2438 D CA -0.455 53.458 54.000 -0.144 0.000 0.942 2438 D CB 1.414 42.122 40.800 -0.153 0.000 1.129 2438 D HN 0.071 nan 8.370 nan 0.000 0.476 2439 I N -0.183 120.305 120.570 -0.137 0.000 2.315 2439 I HA -0.190 3.980 4.170 0.000 0.000 0.248 2439 I C 2.317 178.428 176.117 -0.009 0.000 1.117 2439 I CA 0.393 61.676 61.300 -0.028 0.000 1.404 2439 I CB -1.014 37.011 38.000 0.042 0.000 1.071 2439 I HN 0.314 nan 8.210 nan 0.000 0.419 2440 L N 0.746 121.915 121.223 -0.091 0.000 2.127 2440 L HA -0.179 4.161 4.340 0.000 0.000 0.211 2440 L C 2.491 179.334 176.870 -0.044 0.000 1.089 2440 L CA 1.892 56.662 54.840 -0.117 0.000 0.757 2440 L CB -1.091 40.795 42.059 -0.289 0.000 0.899 2440 L HN 0.202 nan 8.230 nan 0.000 0.434 2441 T N -0.808 113.720 114.554 -0.044 0.000 2.770 2441 T HA -0.061 4.289 4.350 0.000 0.000 0.263 2441 T C 1.991 176.699 174.700 0.014 0.000 1.039 2441 T CA 1.341 63.432 62.100 -0.016 0.000 1.142 2441 T CB -0.125 68.727 68.868 -0.026 0.000 0.868 2441 T HN 0.218 nan 8.240 nan 0.000 0.435 2442 I N 1.060 121.639 120.570 0.015 0.000 2.264 2442 I HA -0.136 4.034 4.170 0.000 0.000 0.248 2442 I C 2.178 178.330 176.117 0.059 0.000 1.111 2442 I CA 1.232 62.550 61.300 0.031 0.000 1.382 2442 I CB -0.434 37.583 38.000 0.028 0.000 1.060 2442 I HN 0.203 nan 8.210 nan 0.000 0.418 2443 L N 0.027 121.303 121.223 0.088 0.000 2.201 2443 L HA -0.153 4.187 4.340 0.000 0.000 0.212 2443 L C 2.514 179.467 176.870 0.138 0.000 1.105 2443 L CA 1.173 56.097 54.840 0.141 0.000 0.775 2443 L CB -0.835 41.343 42.059 0.197 0.000 0.913 2443 L HN 0.273 nan 8.230 nan 0.000 0.440 2444 T N -1.047 113.568 114.554 0.103 0.000 2.821 2444 T HA -0.214 4.136 4.350 0.000 0.000 0.267 2444 T C 1.756 176.528 174.700 0.121 0.000 1.046 2444 T CA 1.281 63.439 62.100 0.098 0.000 1.139 2444 T CB -0.023 68.881 68.868 0.060 0.000 0.871 2444 T HN 0.389 nan 8.240 nan 0.000 0.454 2445 E N 0.698 120.967 120.200 0.116 0.000 2.047 2445 E HA -0.112 4.238 4.350 0.000 0.000 0.191 2445 E C 2.222 178.920 176.600 0.164 0.000 0.987 2445 E CA 0.910 57.403 56.400 0.155 0.000 0.799 2445 E CB -0.073 29.686 29.700 0.099 0.000 0.752 2445 E HN 0.245 nan 8.360 nan 0.000 0.449 2446 V N 1.856 121.843 119.914 0.122 0.000 2.380 2446 V HA -0.328 3.792 4.120 0.000 0.000 0.251 2446 V C 1.840 178.050 176.094 0.193 0.000 1.063 2446 V CA 2.297 64.674 62.300 0.127 0.000 1.055 2446 V CB -0.826 31.071 31.823 0.124 0.000 0.657 2446 V HN 0.350 nan 8.190 nan 0.000 0.455 2447 N N -1.469 117.355 118.700 0.207 0.000 2.244 2447 N HA -0.170 4.570 4.740 0.000 0.000 0.183 2447 N C 1.882 177.537 175.510 0.242 0.000 1.016 2447 N CA 1.210 54.385 53.050 0.207 0.000 0.866 2447 N CB -0.201 38.388 38.487 0.169 0.000 0.980 2447 N HN 0.667 nan 8.380 nan 0.000 0.430 2448 Y N 1.954 122.294 120.300 0.067 0.000 2.133 2448 Y HA -0.205 4.345 4.550 0.000 0.000 0.287 2448 Y C 2.099 178.018 175.900 0.033 0.000 1.134 2448 Y CA 0.782 58.908 58.100 0.043 0.000 1.133 2448 Y CB 0.284 38.760 38.460 0.026 0.000 0.987 2448 Y HN 0.017 nan 8.280 nan 0.000 0.502 2449 E N 0.352 120.570 120.200 0.030 0.000 2.012 2449 E HA -0.201 4.149 4.350 0.000 0.000 0.197 2449 E C 2.250 178.825 176.600 -0.042 0.000 1.007 2449 E CA 1.546 57.874 56.400 -0.120 0.000 0.816 2449 E CB -1.048 28.597 29.700 -0.091 0.000 0.762 2449 E HN 0.370 nan 8.360 nan 0.000 0.451 2450 V N 2.259 122.222 119.914 0.081 0.000 2.660 2450 V HA -0.230 3.890 4.120 0.000 0.000 0.257 2450 V C 2.391 178.591 176.094 0.175 0.000 1.088 2450 V CA 1.887 64.291 62.300 0.175 0.000 1.106 2450 V CB -1.101 30.922 31.823 0.333 0.000 0.686 2450 V HN 0.289 nan 8.190 nan 0.000 0.481 2451 S N -0.129 115.662 115.700 0.152 0.000 2.489 2451 S HA -0.068 4.402 4.470 0.000 0.000 0.228 2451 S C 1.682 176.339 174.600 0.094 0.000 0.995 2451 S CA 0.892 59.187 58.200 0.158 0.000 0.934 2451 S CB -0.319 62.998 63.200 0.195 0.000 0.771 2451 S HN 0.608 nan 8.310 nan 0.000 0.522 2452 N N 1.100 119.803 118.700 0.006 0.000 2.387 2452 N HA 0.143 4.883 4.740 0.000 0.000 0.176 2452 N C 0.065 175.485 175.510 -0.151 0.000 1.022 2452 N CA 0.436 53.444 53.050 -0.070 0.000 0.883 2452 N CB -0.144 38.245 38.487 -0.164 0.000 1.019 2452 N HN 0.258 nan 8.380 nan 0.000 0.435 2453 K N 2.363 122.610 120.400 -0.255 0.000 2.491 2453 K HA -0.038 4.282 4.320 0.000 0.000 0.279 2453 K C -0.533 175.814 176.600 -0.422 0.000 1.026 2453 K CA 0.560 56.506 56.287 -0.569 0.000 1.070 2453 K CB 0.189 32.036 32.500 -1.089 0.000 0.887 2453 K HN 0.105 nan 8.250 nan 0.000 0.481 2454 D N 1.535 121.713 120.400 -0.369 0.000 2.619 2454 D HA 0.058 4.698 4.640 0.000 0.000 0.241 2454 D C -1.017 175.228 176.300 -0.092 0.000 1.087 2454 D CA -0.625 53.301 54.000 -0.123 0.000 0.851 2454 D CB 1.296 42.055 40.800 -0.069 0.000 1.474 2454 D HN 0.327 nan 8.370 nan 0.000 0.478 2455 D N 2.921 123.331 120.400 0.016 0.000 2.551 2455 D HA 0.032 4.672 4.640 0.000 0.000 0.223 2455 D C 1.121 177.414 176.300 -0.012 0.000 1.144 2455 D CA -0.134 53.833 54.000 -0.054 0.000 1.025 2455 D CB 0.337 40.997 40.800 -0.233 0.000 1.085 2455 D HN 0.141 nan 8.370 nan 0.000 0.506 2456 K N 2.254 122.640 120.400 -0.022 0.000 2.169 2456 K HA -0.303 4.017 4.320 0.000 0.000 0.213 2456 K C 1.527 178.127 176.600 -0.000 0.000 1.050 2456 K CA 1.356 57.634 56.287 -0.016 0.000 0.935 2456 K CB -0.290 32.198 32.500 -0.021 0.000 0.722 2456 K HN 0.466 nan 8.250 nan 0.000 0.468 2457 K N 0.919 121.327 120.400 0.012 0.000 1.987 2457 K HA -0.103 4.217 4.320 0.000 0.000 0.222 2457 K C 1.257 177.865 176.600 0.014 0.000 1.029 2457 K CA 1.032 57.331 56.287 0.020 0.000 1.011 2457 K CB -0.167 32.358 32.500 0.042 0.000 0.769 2457 K HN -0.042 nan 8.250 nan 0.000 0.444 2458 N N 1.863 120.581 118.700 0.031 0.000 3.111 2458 N HA -0.033 4.707 4.740 0.000 0.000 0.302 2458 N C -0.353 175.160 175.510 0.005 0.000 1.317 2458 N CA 0.255 53.291 53.050 -0.025 0.000 1.151 2458 N CB -0.668 37.767 38.487 -0.087 0.000 1.456 2458 N HN 0.438 nan 8.380 nan 0.000 0.547 2459 M N -1.812 117.798 119.600 0.017 0.000 2.164 2459 M HA -0.213 4.267 4.480 0.000 0.000 0.196 2459 M C 0.334 176.697 176.300 0.104 0.000 0.270 2459 M CA 1.065 56.389 55.300 0.040 0.000 0.373 2459 M CB -2.095 30.514 32.600 0.016 0.000 1.089 2459 M HN 0.069 nan 8.290 nan 0.000 0.940 2460 G N 0.461 109.364 108.800 0.171 0.000 2.537 2460 G HA2 0.662 4.622 3.960 0.000 0.000 0.273 2460 G HA3 0.662 4.622 3.960 0.000 0.000 0.273 2460 G C -0.168 174.910 174.900 0.296 0.000 1.189 2460 G CA -0.813 44.480 45.100 0.323 0.000 0.881 2460 G HN 0.348 nan 8.290 nan 0.000 0.535 2461 K N -0.248 120.389 120.400 0.394 0.000 2.523 2461 K HA 0.333 4.653 4.320 0.000 0.000 0.257 2461 K C -1.052 175.799 176.600 0.418 0.000 0.932 2461 K CA -0.616 55.891 56.287 0.367 0.000 0.812 2461 K CB 2.469 35.105 32.500 0.227 0.000 1.326 2461 K HN 0.706 nan 8.250 nan 0.000 0.433 2462 Q N 2.307 122.392 119.800 0.475 0.000 2.353 2462 Q HA 0.606 4.946 4.340 0.000 0.000 0.268 2462 Q C -1.311 174.844 176.000 0.257 0.000 1.045 2462 Q CA -0.769 55.235 55.803 0.336 0.000 0.811 2462 Q CB 1.564 30.546 28.738 0.407 0.000 1.305 2462 Q HN 0.472 nan 8.270 nan 0.000 0.447 2463 M N 5.882 125.569 119.600 0.144 0.000 2.007 2463 M HA 0.499 4.979 4.480 0.000 0.000 0.285 2463 M C -2.680 173.658 176.300 0.063 0.000 0.893 2463 M CA -1.973 53.398 55.300 0.120 0.000 0.925 2463 M CB 1.684 34.343 32.600 0.098 0.000 1.568 2463 M HN 0.366 nan 8.290 nan 0.000 0.414 2464 P HA 0.125 nan 4.420 nan 0.000 0.271 2464 P C -1.577 175.734 177.300 0.018 0.000 1.238 2464 P CA -0.107 62.979 63.100 -0.024 0.000 0.794 2464 P CB 0.419 32.151 31.700 0.054 0.000 0.959 2465 Q N 1.032 120.828 119.800 -0.008 0.000 2.795 2465 Q HA 0.226 4.566 4.340 0.000 0.000 0.220 2465 Q C -2.898 173.147 176.000 0.074 0.000 0.795 2465 Q CA -1.486 54.344 55.803 0.046 0.000 0.875 2465 Q CB 1.426 30.178 28.738 0.023 0.000 1.467 2465 Q HN 0.258 nan 8.270 nan 0.000 0.449 2466 P HA 0.372 nan 4.420 nan 0.000 0.276 2466 P C -0.845 176.570 177.300 0.192 0.000 1.252 2466 P CA -0.138 63.086 63.100 0.206 0.000 0.802 2466 P CB 1.541 33.413 31.700 0.288 0.000 1.035 2467 T N 0.981 115.659 114.554 0.208 0.000 2.971 2467 T HA 0.606 4.956 4.350 0.000 0.000 0.304 2467 T C -0.739 174.105 174.700 0.240 0.000 1.038 2467 T CA -0.230 61.948 62.100 0.130 0.000 1.007 2467 T CB 0.608 69.497 68.868 0.034 0.000 1.055 2467 T HN 0.414 nan 8.240 nan 0.000 0.451 2468 F N -0.479 119.535 119.950 0.107 0.000 2.613 2468 F HA 0.777 5.304 4.527 0.000 0.000 0.310 2468 F C 0.317 176.200 175.800 0.137 0.000 1.085 2468 F CA -1.032 57.054 58.000 0.143 0.000 0.945 2468 F CB 1.720 40.804 39.000 0.140 0.000 1.298 2468 F HN 0.473 nan 8.300 nan 0.000 0.455 2469 T N 1.250 116.010 114.554 0.344 0.000 3.415 2469 T HA 0.430 4.780 4.350 0.000 0.000 0.282 2469 T C -0.314 174.607 174.700 0.368 0.000 1.007 2469 T CA -0.279 61.969 62.100 0.248 0.000 0.958 2469 T CB -0.684 68.317 68.868 0.221 0.000 1.171 2469 T HN 0.653 nan 8.240 nan 0.000 0.500 2470 L N 1.141 122.686 121.223 0.538 0.000 2.453 2470 L HA 0.521 4.861 4.340 0.000 0.000 0.261 2470 L C 1.686 178.735 176.870 0.299 0.000 1.179 2470 L CA -0.745 54.350 54.840 0.426 0.000 0.813 2470 L CB 0.793 43.051 42.059 0.332 0.000 1.110 2470 L HN 0.262 nan 8.230 nan 0.000 0.466 2471 R N 0.743 121.381 120.500 0.231 0.000 2.344 2471 R HA 0.214 4.554 4.340 0.000 0.000 0.209 2471 R C -0.354 175.866 176.300 -0.133 0.000 0.886 2471 R CA 0.177 56.333 56.100 0.092 0.000 1.040 2471 R CB 0.664 31.065 30.300 0.169 0.000 1.114 2471 R HN 0.590 nan 8.270 nan 0.000 0.547 2472 K N 0.337 120.430 120.400 -0.512 0.000 2.522 2472 K HA 0.364 4.684 4.320 0.000 0.000 0.275 2472 K C -0.973 175.222 176.600 -0.674 0.000 1.006 2472 K CA -1.156 54.767 56.287 -0.607 0.000 0.890 2472 K CB 1.293 33.377 32.500 -0.694 0.000 1.475 2472 K HN -0.356 nan 8.250 nan 0.000 0.441 2473 K N 1.621 121.769 120.400 -0.421 0.000 2.447 2473 K HA 0.103 4.423 4.320 0.000 0.000 0.281 2473 K C -0.375 176.045 176.600 -0.299 0.000 1.031 2473 K CA -0.239 55.866 56.287 -0.305 0.000 1.019 2473 K CB 0.094 32.477 32.500 -0.194 0.000 0.918 2473 K HN 0.442 nan 8.250 nan 0.000 0.476 2474 L N 4.368 125.468 121.223 -0.205 0.000 2.260 2474 L HA 0.360 4.700 4.340 0.000 0.000 0.289 2474 L C -0.814 175.874 176.870 -0.303 0.000 1.057 2474 L CA -0.330 54.455 54.840 -0.093 0.000 0.811 2474 L CB 1.248 43.311 42.059 0.006 0.000 1.184 2474 L HN 0.309 nan 8.230 nan 0.000 0.429 2475 V N 6.706 126.427 119.914 -0.322 0.000 2.817 2475 V HA 0.590 4.710 4.120 0.000 0.000 0.303 2475 V C -1.534 174.407 176.094 -0.255 0.000 1.151 2475 V CA -0.489 61.574 62.300 -0.395 0.000 0.929 2475 V CB 1.872 33.598 31.823 -0.163 0.000 1.030 2475 V HN 0.562 nan 8.190 nan 0.000 0.427 2476 F N 7.385 127.420 119.950 0.142 0.000 2.445 2476 F HA 0.809 5.336 4.527 0.000 0.000 0.348 2476 F C -2.298 173.578 175.800 0.127 0.000 1.125 2476 F CA -2.101 55.997 58.000 0.163 0.000 0.983 2476 F CB 1.350 40.531 39.000 0.301 0.000 1.198 2476 F HN 0.331 nan 8.300 nan 0.000 0.436 2477 P HA 0.502 nan 4.420 nan 0.000 0.280 2477 P C -0.659 176.738 177.300 0.162 0.000 1.272 2477 P CA -0.280 62.916 63.100 0.160 0.000 0.819 2477 P CB 2.281 34.028 31.700 0.079 0.000 1.122 2478 S N -0.526 115.264 115.700 0.150 0.000 3.952 2478 S HA 0.624 5.094 4.470 0.000 0.000 0.293 2478 S C -0.980 173.743 174.600 0.205 0.000 1.090 2478 S CA -0.515 57.837 58.200 0.253 0.000 1.264 2478 S CB 1.011 64.397 63.200 0.311 0.000 1.393 2478 S HN 0.472 nan 8.310 nan 0.000 0.757 2479 D N 0.000 120.555 120.400 0.258 0.000 6.856 2479 D HA 0.000 4.640 4.640 0.000 0.000 0.175 2479 D CA 0.000 54.088 54.000 0.147 0.000 0.868 2479 D CB 0.000 40.899 40.800 0.166 0.000 0.688 2479 D HN 0.000 nan 8.370 nan 0.000 0.683